| 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 | D | 32.4 | Very low | 25.6 | Very low | 214 Ų | 214 | 156.2 Ų | 156.2 | 100% | 1.144 | 81% | 0.809 | S | S | * | * | 0 | 103.3 | 0 | -58.2 | -26.9 | 0 | 0 | 0 | 111.4 | |||||
| 2 | M | 22.9 | Very low | 25.5 | Very low | 182 Ų | 182 | 149.3 Ų | 149.3 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | trans | -115 | 106.4 | -163.3 | -153 | 172.7 | 80.3 | 0 | 0 | 110.6 | ||||
| 3 | Y | 22.7 | Very low | 25.4 | Very low | 202 Ų | 202 | 153.4 Ų | 153.4 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | trans | 10.9 | 128.9 | 137.8 | -81.6 | -87.6 | 0 | 0 | 0 | 119.5 | ||||
| 4 | K | 24.6 | Very low | 25.2 | Very low | 194 Ų | 194 | 160.4 Ų | 160.4 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | 161.3 | 117 | 103.1 | -104.8 | 158.3 | -173.3 | -176.7 | 0 | 114.5 | |||||
| 5 | T | 23.2 | Very low | 25 | Very low | 124 Ų | 124 | 162.6 Ų | 162.6 | 76% | 0.761 | 82% | 0.822 | S | S | * | * | trans | -50.4 | 172 | 135 | 36.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 6 | P | 34 | Very low | 25 | Very low | 106 Ų | 106 | 160.1 Ų | 160.1 | 69% | 0.688 | 82% | 0.822 | S | S | * | * | cis | -155.2 | 176.2 | 32.9 | 43.3 | -21.1 | 0 | 0 | 0 | 119.8 | ||||
| 7 | C | 22.6 | Very low | 24.9 | Very low | 120 Ų | 120 | 160.8 Ų | 160.8 | 81% | 0.811 | 83% | 0.827 | S | S | * | * | trans | 61.8 | 147.2 | 135 | -84.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 8 | S | 24.4 | Very low | 24.8 | Very low | 90 Ų | 90 | 161.4 Ų | 161.4 | 63% | 0.629 | 83% | 0.825 | S | S | * | * | cis | 176.1 | 151.7 | 4.1 | 47 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 9 | R | 24.6 | Very low | 24.9 | Very low | 225 Ų | 225 | 158.5 Ų | 158.5 | 85% | 0.849 | 82% | 0.816 | S | S | * | * | trans | 56.4 | 142.9 | 134.6 | -76.3 | -177.8 | -176.4 | -176.7 | 2.4 | 118.3 | ||||
| 10 | L | 24.8 | Very low | 24.9 | Very low | 132 Ų | 132 | 160.8 Ų | 160.8 | 69% | 0.691 | 82% | 0.815 | S | S | * | * | cis | -176 | 136.7 | 30.5 | -116 | 153.2 | 0 | 0 | 0 | 107.2 | ||||
| 11 | T | 25 | Very low | 24.9 | Very low | 129 Ų | 129 | 159.2 Ų | 159.2 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | trans | 51.5 | 122.9 | 137.5 | 54.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 12 | G | 24.8 | Very low | 24.6 | Very low | 73 Ų | 73 | 152.3 Ų | 152.3 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -158.4 | 110.2 | 148.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 13 | K | 23.8 | Very low | 25 | Very low | 203 Ų | 203 | 153.2 Ų | 153.2 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -53.7 | 134.5 | -168.3 | -71.7 | 165.9 | 172 | 172.6 | 0 | 115.3 | ||||
| 14 | W | 23.1 | Very low | 25.2 | Very low | 252 Ų | 252 | 152.2 Ų | 152.2 | 96% | 0.955 | 80% | 0.799 | S | S | * | * | trans | -78.5 | 121.2 | 153.6 | -72.8 | 78.2 | 0 | 0 | 0 | 108.9 | ||||
| 15 | K | 22.4 | Very low | 25.2 | Very low | 193 Ų | 193 | 146 Ų | 146 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | trans | -112.7 | 116.1 | 160.7 | -97.2 | -173.6 | 173 | -174.4 | 0 | 107.6 | ||||
| 16 | C | 25.4 | Very low | 25.5 | Very low | 123 Ų | 123 | 146.5 Ų | 146.5 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | trans | -64.9 | 133.7 | 155.6 | -83.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 17 | L | 22.8 | Very low | 25.2 | Very low | 171 Ų | 171 | 153.1 Ų | 153.1 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | trans | -150.8 | 142.7 | 149.2 | -136.8 | 91.7 | 0 | 0 | 0 | 110.7 | ||||
| 18 | H | 22.1 | Very low | 25.8 | Very low | 172 Ų | 172 | 154.2 Ų | 154.2 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | trans | -65 | 149.6 | -175.8 | -92.6 | -114.1 | 0 | 0 | 0 | 115.2 | ||||
| 19 | V | 27.4 | Very low | 26.1 | Very low | 107 Ų | 107 | 158.7 Ų | 158.7 | 65% | 0.648 | 81% | 0.809 | S | S | * | * | trans | 19.9 | 117.5 | 137.9 | -156.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 20 | Y | 24.4 | Very low | 26.5 | Very low | 203 Ų | 203 | 157 Ų | 157 | 80% | 0.796 | 81% | 0.811 | S | S | * | * | 160.7 | 146.4 | 113.8 | -107 | -80.3 | 0 | 0 | 0 | 112.1 | |||||
| 21 | T | 26.3 | Very low | 27 | Very low | 128 Ų | 128 | 161.8 Ų | 161.8 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | trans | 59 | 122.8 | 154.2 | 53.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 22 | G | 25.7 | Very low | 27.5 | Very low | 69 Ų | 69 | 163.6 Ų | 163.6 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | 89.7 | 121.7 | 120.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 23 | F | 30.5 | Very low | 28.1 | Very low | 202 Ų | 202 | 166 Ų | 166 | 89% | 0.886 | 82% | 0.823 | S | S | * | * | trans | 39.7 | 120.7 | 148.8 | -85.1 | -92.5 | 0 | 0 | 0 | 120.1 | ||||
| 24 | L | 27 | Very low | 28.7 | Very low | 180 Ų | 180 | 165.3 Ų | 165.3 | 94% | 0.942 | 82% | 0.823 | S | S | * | * | trans | -173.5 | 138.7 | 134.1 | -122.2 | 79.9 | 0 | 0 | 0 | 106.7 | ||||
| 25 | G | 25.1 | Very low | 29.4 | Very low | 64 Ų | 64 | 160.7 Ų | 160.7 | 66% | 0.66 | 82% | 0.815 | S | S | * | * | cis | 122.2 | 107 | 40.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | R27 | G25-R27 PolarHBondContact O-N 2.93Š| ||
| 26 | V | 30 | Very low | 30 | Very low | 135 Ų | 135 | 155.8 Ų | 155.8 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -63.6 | 120.1 | 178.2 | 171.5 | 0 | 0 | 0 | 0 | 108.9 | I28 | V26-I28 HydrophobicContact CG1-CD1 4.24Å; V26-I28 HydrophobicContact CG1-CG1 3.93Å | ||
| 27 | R | 27.3 | Very low | 30.8 | Very low | 245 Ų | 245 | 155.1 Ų | 155.1 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | trans | -104.5 | 90.5 | 174.4 | -147.3 | 179 | -162.2 | -171.3 | 4.7 | 109.2 | G25 | G25-R27 PolarHBondContact O-N 2.93Š| ||
| 28 | I | 34.3 | Very low | 31.5 | Very low | 143 Ų | 143 | 158.4 Ų | 158.4 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | trans | -74.4 | 124.2 | 166.5 | -68.7 | 165.1 | 0 | 0 | 0 | 107.1 | V26 E30 | V26-I28 HydrophobicContact CG1-CD1 4.24Å; V26-I28 HydrophobicContact CG1-CG1 3.93Å; I28-E30 PolarHBondContact O-N 2.69Å | ||
| 29 | K | 31.1 | Very low | 32.1 | Very low | 184 Ų | 184 | 156.1 Ų | 156.1 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | trans | -73.1 | 117.8 | 176.5 | -97.2 | 179.8 | 172.9 | 177.9 | 0 | 110.2 | R31 | K29-R31 PolarHBondContact O-N 2.95Š| ||
| 30 | E | 33.3 | Very low | 32.7 | Very low | 189 Ų | 189 | 158.9 Ų | 158.9 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -67.9 | 45.6 | 173 | -66.1 | 174.2 | 135 | 0 | 0 | 114.4 | I28 | I28-E30 PolarHBondContact O-N 2.69Š|
| 31 | R | 34.4 | Very low | 33.2 | Very low | 233 Ų | 233 | 157.1 Ų | 157.1 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | -119.2 | 14.3 | 172.8 | -90.8 | -162.2 | -168.3 | -145.8 | 4.5 | 114.4 | K29 | K29-R31 PolarHBondContact O-N 2.95Š| ||
| 32 | L | 36 | Very low | 33.9 | Very low | 166 Ų | 166 | 154.2 Ų | 154.2 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -111.4 | -1 | 179.8 | -90.8 | 157.1 | 0 | 0 | 0 | 114.2 | ||
| 33 | V | 38.3 | Very low | 34.5 | Very low | 123 Ų | 123 | 154.6 Ų | 154.6 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -101.9 | -6.2 | -173 | -179.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 34 | Q | 36.4 | Very low | 34.9 | Very low | 190 Ų | 190 | 155 Ų | 155 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -104.3 | 12.9 | -174.8 | -77.2 | -170 | -11.4 | 0 | 0 | 116.6 | ||
| 35 | I | 36.7 | Very low | 35.6 | Very low | 154 Ų | 154 | 149.3 Ų | 149.3 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -121.7 | 32.4 | 176.1 | -48.7 | 168.4 | 0 | 0 | 0 | 111 | ||||
| 36 | A | 35.2 | Very low | 36.5 | Very low | 91 Ų | 91 | 152.6 Ų | 152.6 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | trans | -84.8 | -8.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 37 | P | 42.4 | Very low | 37.5 | Very low | 108 Ų | 108 | 151.7 Ų | 151.7 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -127.2 | 83.1 | 174.4 | 37.6 | -20.8 | 0 | 0 | 0 | 111.5 | ||
| 38 | R | 37.8 | Very low | 38.1 | Very low | 241 Ų | 241 | 148.3 Ų | 148.3 | 91% | 0.909 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 168.7 | 120.7 | 148 | -94.7 | 160 | -171.3 | -159.2 | 3.5 | 110.2 | ||
| 39 | C | 33.7 | Very low | 38.4 | Very low | 123 Ų | 123 | 147.5 Ų | 147.5 | 83% | 0.831 | 74% | 0.743 | S | S | * | * | trans | 118.4 | 82 | 164.9 | -75 | 0 | 0 | 0 | 0 | 112.9 | Q41 | C39-Q41 PolarHBondContact O-N 3.09Š| ||
| 40 | D | 41.1 | Very low | 38.9 | Very low | 165 Ų | 165 | 144.9 Ų | 144.9 | 88% | 0.882 | 73% | 0.734 | S | S | * | * | trans | -56.9 | 85 | 148.5 | -171.9 | 29 | 0 | 0 | 0 | 108.9 | ||||
| 41 | Q | 35 | Very low | 39.4 | Very low | 166 Ų | 166 | 144.4 Ų | 144.4 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | trans | -178.1 | 129.2 | 160.4 | -106.4 | 167.1 | 29.8 | 0 | 0 | 111.1 | C39 | C39-Q41 PolarHBondContact O-N 3.09Š| ||
| 42 | T | 39.8 | Very low | 39.6 | Very low | 67 Ų | 67 | 143 Ų | 143 | 41% | 0.411 | 72% | 0.723 | S | S | . | * | trans | 91.8 | 82.5 | 150.2 | 66.3 | 0 | 0 | 0 | 0 | 120.3 | R44 S45 | T42-R44 HydrophobicContact CG2-CB 4.18Å; T42-R44 PolarHBondContact O-N 2.85Å; T42-R44 VanDerWaalsContact O-N 3.09Å; T42-S45 PolarHBondContact O-N 2.95Å; T42-S45 VanDerWaalsContact OG1-CB 3.24Å; T42-S45 WeakPolarHBondContact OG1-CB 3.37Å; T42-S45 PolarHBondContact OG1-OG 3.35Å | ||
| 43 | A | 40 | Very low | 39.7 | Very low | 77 Ų | 77 | 141 Ų | 141 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -47.6 | -25 | 141.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I47 | A43-I47 WeakPolarHBondContact O-CD1 3.24Å; A43-I47 VanDerWaalsContact O-CG1 3.28Å; A43-I47 WeakPolarHBondContact O-CG1 3.48Å; A43-I47 PolarHBondContact O-N 3.44Å; A43-I47 VanDerWaalsContact O-N 3.13Å |
| 44 | R | 39.2 | Very low | 39.8 | Very low | 210 Ų | 210 | 141 Ų | 141 | 79% | 0.792 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -65.3 | -32.2 | 172.1 | -73.5 | -178.2 | 176.2 | 175.3 | -1.2 | 114.2 | T42 I47 Y48 | T42-R44 HydrophobicContact CG2-CB 4.18Å; T42-R44 PolarHBondContact O-N 2.85Å; T42-R44 VanDerWaalsContact O-N 3.09Å; R44-I47 PolarHBondContact O-N 3.13Å; R44-Y48 WeakPolarHBondContact O-CB 3.47Å; R44-Y48 PolarHBondContact O-N 3.24Å |
| 45 | S | 40.4 | Very low | 39.9 | Very low | 62 Ų | 62 | 136 Ų | 136 | 43% | 0.434 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -75.9 | -33.8 | 178.5 | -68.2 | 0 | 0 | 0 | 0 | 112 | T42 Y48 L49 | T42-S45 PolarHBondContact O-N 2.95Å; T42-S45 VanDerWaalsContact OG1-CB 3.24Å; T42-S45 WeakPolarHBondContact OG1-CB 3.37Å; T42-S45 PolarHBondContact OG1-OG 3.35Å; S45-Y48 PolarHBondContact O-N 3.48Å; S45-L49 WeakPolarHBondContact O-CB 3.28Å; S45-L49 PolarHBondContact O-N 2.97Å |
| 46 | L | 44.6 | Very low | 40.1 | Very low | 133 Ų | 133 | 135.9 Ų | 135.9 | 70% | 0.696 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -65.4 | -40.6 | 170 | -85.8 | 162.6 | 0 | 0 | 0 | 111.6 | Y48 L49 H50 | L46-Y48 VanDerWaalsContact C-N 3.34Å; L46-Y48 PolarHBondContact O-N 3.42Å; L46-L49 PolarHBondContact O-N 3.39Å; L46-H50 VanDerWaalsContact O-CB 3.24Å; L46-H50 WeakPolarHBondContact O-CB 3.46Å; L46-H50 PolarHBondContact O-N 3.36Å |
| 47 | I | 50.7 | Low | 40.1 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 60% | 0.595 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -65.4 | -37.5 | 174.6 | -67.1 | 164.9 | 0 | 0 | 0 | 111.3 | A43 R44 H50 K51 | A43-I47 WeakPolarHBondContact O-CD1 3.24Å; A43-I47 VanDerWaalsContact O-CG1 3.28Å; A43-I47 WeakPolarHBondContact O-CG1 3.48Å; A43-I47 PolarHBondContact O-N 3.44Å; A43-I47 VanDerWaalsContact O-N 3.13Å; R44-I47 PolarHBondContact O-N 3.13Å; I47-H50 PolarHBondContact O-N 3.45Å; I47-K51 PolarHBondContact O-N 3.47Å; I47-K51 VanDerWaalsContact O-N 3.11Å |
| 48 | Y | 39.3 | Very low | 40 | Very low | 174 Ų | 174 | 137.4 Ų | 137.4 | 68% | 0.682 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -70.7 | -39.4 | 178.7 | -158.7 | -92.3 | 0 | 0 | 0 | 112.6 | R44 S45 L46 K51 | R44-Y48 WeakPolarHBondContact O-CB 3.47Å; R44-Y48 PolarHBondContact O-N 3.24Å; S45-Y48 PolarHBondContact O-N 3.48Å; L46-Y48 VanDerWaalsContact C-N 3.34Å; L46-Y48 PolarHBondContact O-N 3.42Å; Y48-K51 PolarHBondContact O-N 3.49Å |
| 49 | L | 41 | Very low | 40 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 65% | 0.654 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -68.5 | -34.6 | 172.5 | -83.2 | 160 | 0 | 0 | 0 | 112.3 | S45 L46 K51 R52 | S45-L49 WeakPolarHBondContact O-CB 3.28Å; S45-L49 PolarHBondContact O-N 2.97Å; L46-L49 PolarHBondContact O-N 3.39Å; L49-K51 VanDerWaalsContact C-N 3.31Å; L49-K51 PolarHBondContact O-N 2.91Å; L49-R52 PolarHBondContact O-N 3.44Å |
| 50 | H | 41.6 | Very low | 39.9 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 60% | 0.597 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -69.3 | -27.1 | 176.5 | -153.3 | 77 | 0 | 0 | 0 | 112.9 | L46 I47 R52 | L46-H50 VanDerWaalsContact O-CB 3.24Å; L46-H50 WeakPolarHBondContact O-CB 3.46Å; L46-H50 PolarHBondContact O-N 3.36Å; I47-H50 PolarHBondContact O-N 3.45Å; H50-R52 VanDerWaalsContact C-N 3.31Å; H50-R52 PolarHBondContact O-N 3.11Å |
| 51 | K | 44.4 | Very low | 39.6 | Very low | 180 Ų | 180 | 131.8 Ų | 131.8 | 78% | 0.783 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -15.5 | 177.4 | -129.6 | -179 | -176.8 | -176.7 | 0 | 113.9 | I47 Y48 L49 | I47-K51 PolarHBondContact O-N 3.47Å; I47-K51 VanDerWaalsContact O-N 3.11Å; Y48-K51 PolarHBondContact O-N 3.49Å; L49-K51 VanDerWaalsContact C-N 3.31Å; L49-K51 PolarHBondContact O-N 2.91Å |
| 52 | R | 38.3 | Very low | 39.9 | Very low | 202 Ų | 202 | 130.7 Ų | 130.7 | 76% | 0.762 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -9.2 | -170.9 | -152.3 | 173.3 | -177.7 | 171.9 | 0.8 | 114.3 | L49 H50 | L49-R52 PolarHBondContact O-N 3.44Å; H50-R52 VanDerWaalsContact C-N 3.31Å; H50-R52 PolarHBondContact O-N 3.11Å |
| 53 | N | 38.7 | Very low | 39.6 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 67% | 0.668 | 67% | 0.669 | S | S | * | * | trans | -145.8 | 76 | -177.7 | -125.4 | -22.2 | 0 | 0 | 0 | 113.9 | S55 | N53-S55 VanDerWaalsContact C-N 3.27Å; N53-S55 PolarHBondContact O-N 3.18Å | ||
| 54 | P | 39.7 | Very low | 39.2 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 79% | 0.792 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | 6.2 | -175.3 | 30.5 | -33.5 | 0 | 0 | 0 | 115.4 | ||
| 55 | S | 38.4 | Very low | 39.3 | Very low | 87 Ų | 87 | 127.3 Ų | 127.3 | 61% | 0.608 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -9.6 | -170.1 | 50 | 0 | 0 | 0 | 0 | 116 | N53 | N53-S55 VanDerWaalsContact C-N 3.27Å; N53-S55 PolarHBondContact O-N 3.18Å |
| 56 | N | 40.3 | Very low | 39.2 | Very low | 151 Ų | 151 | 128.7 Ų | 128.7 | 81% | 0.807 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -125.6 | 29.4 | -166.2 | -87.9 | -8.8 | 0 | 0 | 0 | 116.5 | ||
| 57 | S | 35 | Very low | 38.5 | Very low | 74 Ų | 74 | 130.6 Ų | 130.6 | 52% | 0.517 | 64% | 0.644 | S | S | . | * | trans | -140.3 | 105.6 | 167.8 | -150.8 | 0 | 0 | 0 | 0 | 113.1 | T59 Y60 | S57-T59 PolarHBondContact O-N 3.28Å; S57-Y60 PolarHBondContact O-N 3.05Å | ||
| 58 | L | 41.8 | Very low | 37.6 | Very low | 156 Ų | 156 | 136.2 Ų | 136.2 | 82% | 0.817 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -14.4 | -178.2 | -142.5 | 87.5 | 0 | 0 | 0 | 113.6 | ||
| 59 | T | 37 | Very low | 37.4 | Very low | 90 Ų | 90 | 132.6 Ų | 132.6 | 55% | 0.552 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -27.5 | -171.9 | -23.1 | 0 | 0 | 0 | 0 | 113 | S57 H62 | S57-T59 PolarHBondContact O-N 3.28Å; T59-H62 PolarHBondContact O-N 3.47Å |
| 60 | Y | 31.6 | Very low | 37 | Very low | 151 Ų | 151 | 132.8 Ų | 132.8 | 59% | 0.592 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -78.8 | -27.3 | -173.9 | -115.8 | -85.1 | 0 | 0 | 0 | 114 | S57 H62 N64 | S57-Y60 PolarHBondContact O-N 3.05Å; Y60-H62 VanDerWaalsContact C-N 3.31Å; Y60-N64 PolarHBondContact O-N 3.32Å |
| 61 | Q | 34.8 | Very low | 36.3 | Very low | 170 Ų | 170 | 133.8 Ų | 133.8 | 79% | 0.794 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.8 | -27.5 | 174.3 | -84.3 | -175.3 | -17.2 | 0 | 0 | 112.7 | ||
| 62 | H | 41.3 | Very low | 35.5 | Very low | 144 Ų | 144 | 130.1 Ų | 130.1 | 67% | 0.667 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -80.6 | -32.2 | -179.5 | -88.8 | 67.3 | 0 | 0 | 0 | 113.2 | T59 Y60 F65 | T59-H62 PolarHBondContact O-N 3.47Å; Y60-H62 VanDerWaalsContact C-N 3.31Å; H62-F65 WeakPolarHBondContact O-CB 3.24Å |
| 63 | L | 34.4 | Very low | 35.1 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 59% | 0.592 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -82.4 | -23.5 | 177.3 | -74.1 | 165.1 | 0 | 0 | 0 | 113.5 | F65 L66 | L63-F65 PolarHBondContact O-N 2.89Å; L63-L66 HydrophobicContact CD2-CD1 4.25Å; L63-L66 PolarHBondContact O-N 3.45Å |
| 64 | N | 31.7 | Very low | 34.7 | Very low | 86 Ų | 86 | 130.1 Ų | 130.1 | 46% | 0.46 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -72.5 | -11.5 | 171.3 | -98 | -22.2 | 0 | 0 | 0 | 113.7 | Y60 L66 K67 R68 | Y60-N64 PolarHBondContact O-N 3.32Å; N64-L66 VanDerWaalsContact C-N 3.33Å; N64-K67 PolarHBondContact O-N 3.06Å; N64-R68 PolarHBondContact O-N 3.37Å |
| 65 | F | 40.6 | Very low | 34.4 | Very low | 84 Ų | 84 | 129.1 Ų | 129.1 | 37% | 0.368 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -63.1 | -39.7 | 170.8 | -179.3 | -105.1 | 0 | 0 | 0 | 111.5 | H62 L63 K67 R68 P210 | H62-F65 WeakPolarHBondContact O-CB 3.24Å; L63-F65 PolarHBondContact O-N 2.89Å; F65-K67 PolarHBondContact O-N 3.49Å; F65-R68 PolarHBondContact O-N 3.48Å; F65-P210 HydrophobicContact CE2-CG 4.5Å |
| 66 | L | 38.5 | Very low | 34.3 | Very low | 90 Ų | 90 | 130.9 Ų | 130.9 | 47% | 0.471 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -63.9 | -30.4 | 175.1 | -72.3 | 164.9 | 0 | 0 | 0 | 112.4 | L63 N64 | L63-L66 HydrophobicContact CD2-CD1 4.25Å; L63-L66 PolarHBondContact O-N 3.45Å; N64-L66 VanDerWaalsContact C-N 3.33Å |
| 67 | K | 29.6 | Very low | 34.3 | Very low | 173 Ų | 173 | 127 Ų | 127 | 75% | 0.752 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -80.2 | -15.9 | -176.1 | -141.7 | 176.5 | -173.5 | 178.8 | 0 | 113.9 | N64 F65 | N64-K67 PolarHBondContact O-N 3.06Å; F65-K67 PolarHBondContact O-N 3.49Å |
| 68 | R | 32.4 | Very low | 33.9 | Very low | 234 Ų | 234 | 132 Ų | 132 | 88% | 0.883 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | 0.3 | -179.8 | -76 | -171.2 | 178 | -170 | 0 | 114.7 | N64 F65 | N64-R68 PolarHBondContact O-N 3.37Å; F65-R68 PolarHBondContact O-N 3.48Å |
| 69 | Q | 34.8 | Very low | 33.1 | Very low | 99 Ų | 99 | 133.7 Ų | 133.7 | 46% | 0.463 | 69% | 0.686 | S | S | . | * | S | Bend | trans | -120.9 | 5.7 | -177.3 | -99.6 | -171.9 | -23.8 | 0 | 0 | 116.3 | ||
| 70 | Y | 31.1 | Very low | 32.6 | Very low | 129 Ų | 129 | 138.6 Ų | 138.6 | 51% | 0.506 | 70% | 0.702 | S | S | . | * | trans | -128.7 | 89.8 | 172.9 | -65.4 | -83.3 | 0 | 0 | 0 | 110.2 | T72 | Y70-T72 PolarHBondContact O-N 3.45Š| ||
| 71 | V | 27.1 | Very low | 32.3 | Very low | 149 Ų | 149 | 142.5 Ų | 142.5 | 90% | 0.903 | 72% | 0.716 | S | S | * | * | trans | -84.8 | 80.3 | 149.9 | -178.8 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 72 | T | 28.7 | Very low | 31.8 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 64% | 0.638 | 72% | 0.715 | S | S | * | * | trans | -72.6 | 125.5 | 156.7 | 40.4 | 0 | 0 | 0 | 0 | 106.8 | Y70 T74 | Y70-T72 PolarHBondContact O-N 3.45Å; T72-T74 PolarHBondContact O-N 3.34Å | ||
| 73 | K | 28.9 | Very low | 31 | Very low | 209 Ų | 209 | 138.4 Ų | 138.4 | 91% | 0.909 | 72% | 0.722 | S | S | * | * | trans | -59.9 | 104 | 179.9 | -162.4 | -177.8 | -173.2 | -176.3 | 0 | 108.6 | ||||
| 74 | T | 30.9 | Very low | 30.6 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 72% | 0.724 | 73% | 0.728 | S | S | * | * | trans | -128.7 | 105.3 | 165 | -36.6 | 0 | 0 | 0 | 0 | 106.9 | T72 | T72-T74 PolarHBondContact O-N 3.34Š| ||
| 75 | S | 32.7 | Very low | 30.4 | Very low | 100 Ų | 100 | 143.9 Ų | 143.9 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 46.4 | 110.5 | 168 | 57.6 | 0 | 0 | 0 | 0 | 119.1 | ||
| 76 | S | 37.8 | Very low | 29.8 | Very low | 124 Ų | 124 | 148.8 Ų | 148.8 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 35.2 | 101.2 | 143.1 | 55.4 | 0 | 0 | 0 | 0 | 119.3 | ||
| 77 | G | 38.9 | Very low | 29.2 | Very low | 70 Ų | 70 | 151.3 Ų | 151.3 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 107.2 | 84.4 | 140 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 78 | L | 26.8 | Very low | 29.3 | Very low | 179 Ų | 179 | 148.9 Ų | 148.9 | 94% | 0.937 | 79% | 0.788 | S | S | * | * | trans | -145.5 | 115 | 151.8 | -77.2 | 177.5 | 0 | 0 | 0 | 109.8 | ||||
| 79 | Q | 26.4 | Very low | 29.1 | Very low | 192 Ų | 192 | 143.8 Ų | 143.8 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | trans | -76.1 | 123.5 | 170.4 | -69.5 | -172 | -10.7 | 0 | 0 | 109.5 | ||||
| 80 | Q | 26.1 | Very low | 29 | Very low | 193 Ų | 193 | 146 Ų | 146 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -105.4 | 101.7 | 169.8 | -129.8 | 176.5 | -5.7 | 0 | 0 | 108.1 | A82 | Q80-A82 PolarHBondContact O-N 3.48Š| ||
| 81 | R | 24.8 | Very low | 28.9 | Very low | 233 Ų | 233 | 145.6 Ų | 145.6 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | trans | -71 | 114.5 | 168.4 | -92.9 | -177.6 | 174.4 | 177 | -2 | 108.5 | V83 | R81-V83 PolarHBondContact O-N 3.26Š| ||
| 82 | A | 25.1 | Very low | 29 | Very low | 94 Ų | 94 | 145.3 Ų | 145.3 | 78% | 0.777 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 119.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | Q80 P84 | Q80-A82 PolarHBondContact O-N 3.48Å; A82-P84 WeakPolarHBondContact O-CD 3.44Å |
| 83 | V | 24.4 | Very low | 29 | Very low | 133 Ų | 133 | 148.8 Ų | 148.8 | 81% | 0.806 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -75 | 121.3 | 167.2 | 177.6 | 0 | 0 | 0 | 0 | 107.1 | R81 K85 | R81-V83 PolarHBondContact O-N 3.26Å; V83-K85 PolarHBondContact O-N 3.32Å |
| 84 | P | 26.5 | Very low | 29 | Very low | 112 Ų | 112 | 149.2 Ų | 149.2 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 135.5 | 174.1 | -16.7 | 29.8 | 0 | 0 | 0 | 110 | A82 H86 | A82-P84 WeakPolarHBondContact O-CD 3.44Å; P84-H86 PolarHBondContact O-N 3.37Å |
| 85 | K | 26.9 | Very low | 28.9 | Very low | 202 Ų | 202 | 151.1 Ų | 151.1 | 88% | 0.878 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 118.4 | 168.9 | -137 | 177.9 | -177.5 | -174.4 | 0 | 106.7 | V83 D87 | V83-K85 PolarHBondContact O-N 3.32Å; K85-D87 PolarHBondContact O-N 3.38Å |
| 86 | H | 27 | Very low | 28.7 | Very low | 187 Ų | 187 | 151 Ų | 151 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 125.8 | 168.4 | -100.5 | -69.7 | 0 | 0 | 0 | 109 | P84 | P84-H86 PolarHBondContact O-N 3.37Š|
| 87 | D | 25.8 | Very low | 28.2 | Very low | 144 Ų | 144 | 150.3 Ų | 150.3 | 77% | 0.77 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 138.6 | 164.1 | -77.6 | -38.2 | 0 | 0 | 0 | 109.1 | K85 T89 | K85-D87 PolarHBondContact O-N 3.38Å; D87-T89 PolarHBondContact O-N 3.35Å |
| 88 | P | 32.6 | Very low | 27.9 | Very low | 122 Ų | 122 | 153.2 Ų | 153.2 | 79% | 0.792 | 82% | 0.821 | S | S | * | * | trans | -74.5 | 110.5 | 175.6 | 29 | -29.3 | 0 | 0 | 0 | 109 | V90 | P88-V90 PolarHBondContact O-N 3.32Š| ||
| 89 | T | 29.2 | Very low | 28 | Very low | 127 Ų | 127 | 151.9 Ų | 151.9 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | trans | -63.3 | 125.8 | 162.9 | 30.3 | 0 | 0 | 0 | 0 | 109.1 | D87 V91 | D87-T89 PolarHBondContact O-N 3.35Å; T89-V91 PolarHBondContact O-N 2.97Å | ||
| 90 | V | 31.3 | Very low | 28.1 | Very low | 146 Ų | 146 | 153 Ų | 153 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | trans | -64.6 | 114.8 | 168.3 | 176.4 | 0 | 0 | 0 | 0 | 107.3 | P88 | P88-V90 PolarHBondContact O-N 3.32Š| ||
| 91 | V | 29.6 | Very low | 28.2 | Very low | 120 Ų | 120 | 153.1 Ų | 153.1 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -107.5 | 118.9 | 168.3 | 178.6 | 0 | 0 | 0 | 0 | 106.8 | T89 | T89-V91 PolarHBondContact O-N 2.97Š| ||
| 92 | D | 29.1 | Very low | 28.5 | Very low | 142 Ų | 142 | 148.9 Ų | 148.9 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | trans | -75.2 | 113.6 | 173.6 | -159.8 | 2.8 | 0 | 0 | 0 | 108.1 | ||||
| 93 | E | 28.9 | Very low | 28.7 | Very low | 178 Ų | 178 | 153.3 Ų | 153.3 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -90.1 | 105 | 172.4 | -86.6 | -174.1 | 148.5 | 0 | 0 | 109.1 | ||||
| 94 | R | 27.6 | Very low | 28.8 | Very low | 218 Ų | 218 | 158.1 Ų | 158.1 | 82% | 0.823 | 82% | 0.815 | S | S | * | * | trans | -165.7 | 91.9 | 149.9 | -108.3 | -179.2 | -76.1 | -169.3 | 1.3 | 109.6 | ||||
| 95 | D | 29.1 | Very low | 29 | Very low | 158 Ų | 158 | 160.7 Ų | 160.7 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | 179.2 | 128.4 | 111.5 | -88.3 | -19.6 | 0 | 0 | 0 | 110.9 | |||||
| 96 | A | 28.1 | Very low | 29.1 | Very low | 98 Ų | 98 | 156.3 Ų | 156.3 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -87 | 120.5 | -177 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 97 | S | 28.6 | Very low | 29.3 | Very low | 109 Ų | 109 | 152 Ų | 152 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | -159 | 121.9 | 154.5 | 0.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 98 | V | 31.5 | Very low | 29.8 | Very low | 131 Ų | 131 | 153.2 Ų | 153.2 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | 84 | 94.6 | 144.9 | -168.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 99 | E | 29.8 | Very low | 29.7 | Very low | 150 Ų | 150 | 155 Ų | 155 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | 36.2 | 126.8 | 128.7 | -70.3 | -170.1 | 126.9 | 0 | 0 | 123.8 | |||||
| 100 | R | 29.1 | Very low | 30.1 | Very low | 217 Ų | 217 | 153.6 Ų | 153.6 | 82% | 0.819 | 82% | 0.818 | S | S | * | * | trans | 49.4 | 111.1 | 132.6 | -67.1 | 179.3 | -179.9 | 167.2 | 3.3 | 118.8 | ||||
| 101 | Q | 27 | Very low | 30.1 | Very low | 195 Ų | 195 | 156.3 Ų | 156.3 | 91% | 0.911 | 82% | 0.818 | S | S | * | * | -164.6 | 130.9 | 116.8 | -109.4 | 167.4 | -8.2 | 0 | 0 | 111.4 | |||||
| 102 | V | 31.1 | Very low | 30.4 | Very low | 144 Ų | 144 | 156.4 Ų | 156.4 | 87% | 0.873 | 82% | 0.821 | S | S | * | * | trans | -84.3 | 118.5 | 170 | 171 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 103 | E | 28.9 | Very low | 30.8 | Very low | 186 Ų | 186 | 153.1 Ų | 153.1 | 87% | 0.869 | 82% | 0.821 | S | S | * | * | trans | -135.1 | 129.3 | 162.3 | -121.7 | 178 | -174.5 | 0 | 0 | 110.8 | ||||
| 104 | R | 26.7 | Very low | 30.7 | Very low | 235 Ų | 235 | 151 Ų | 151 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -68 | 129.1 | -177.4 | -72.6 | 176.9 | -176.4 | -174.5 | 0.8 | 109.9 | P106 | R104-P106 WeakPolarHBondContact O-CD 3.35Š|
| 105 | I | 30.5 | Very low | 31.2 | Very low | 166 Ų | 166 | 149.8 Ų | 149.8 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 121.6 | 168.9 | -56 | 173.6 | 0 | 0 | 0 | 108.7 | ||
| 106 | P | 30.5 | Very low | 31.3 | Very low | 110 Ų | 110 | 148 Ų | 148 | 71% | 0.714 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 149.1 | 175.9 | -11.9 | 28.1 | 0 | 0 | 0 | 112.2 | R104 | R104-P106 WeakPolarHBondContact O-CD 3.35Š|
| 107 | A | 30.6 | Very low | 31.8 | Very low | 97 Ų | 97 | 149.7 Ų | 149.7 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 136.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | N109 | A107-N109 PolarHBondContact O-N 3.28Š|
| 108 | I | 35.5 | Very low | 32 | Very low | 168 Ų | 168 | 150 Ų | 150 | 86% | 0.862 | 82% | 0.817 | S | S | * | * | trans | -64.3 | 113.1 | 179.8 | -62.6 | 166.2 | 0 | 0 | 0 | 109.7 | ||||
| 109 | N | 31.1 | Very low | 32.4 | Very low | 160 Ų | 160 | 152 Ų | 152 | 86% | 0.856 | 82% | 0.823 | S | S | * | * | trans | -86.9 | 118.9 | 162.5 | -90 | -31.3 | 0 | 0 | 0 | 109 | A107 | A107-N109 PolarHBondContact O-N 3.28Š| ||
| 110 | A | 38.4 | Very low | 32.7 | Very low | 97 Ų | 97 | 151.1 Ų | 151.1 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | trans | -71.6 | 128.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 111 | K | 30.5 | Very low | 33.3 | Very low | 203 Ų | 203 | 145.7 Ų | 145.7 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | trans | -135.7 | 150.2 | 157.6 | -93.6 | -168.8 | 179.2 | -179 | 0 | 111.1 | ||||
| 112 | P | 36.8 | Very low | 33.9 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | trans | -97.8 | 150.1 | -155.8 | 36.2 | -29.8 | 0 | 0 | 0 | 113.4 | ||||
| 113 | G | 36.1 | Very low | 34.4 | Very low | 73 Ų | 73 | 142.4 Ų | 142.4 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | 72.8 | 93 | 149.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 114 | T | 28.1 | Very low | 35.2 | Very low | 133 Ų | 133 | 138.9 Ų | 138.9 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | trans | -141.1 | 113.3 | 142.9 | -58.3 | 0 | 0 | 0 | 0 | 107.2 | T116 | T114-T116 PolarHBondContact O-N 3.42Š| ||
| 115 | Q | 37.9 | Very low | 36.2 | Very low | 194 Ų | 194 | 136.3 Ų | 136.3 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | trans | -58.4 | 115.1 | 173.4 | -70.8 | 170.9 | -16.1 | 0 | 0 | 108.3 | ||||
| 116 | T | 29.9 | Very low | 37.4 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | -113.5 | 108.4 | 158.9 | -13.1 | 0 | 0 | 0 | 0 | 105.7 | T114 T118 | T114-T116 PolarHBondContact O-N 3.42Å; T116-T118 PolarHBondContact O-N 3.21Å | ||
| 117 | T | 38.7 | Very low | 38.8 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 82% | 0.816 | 76% | 0.762 | S | S | * | * | trans | -61 | 97.5 | 167 | 41.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 118 | T | 33.7 | Very low | 40.9 | Very low | 116 Ų | 116 | 132 Ų | 132 | 71% | 0.712 | 75% | 0.75 | S | S | * | * | trans | -99.5 | 97.7 | 156 | 32.3 | 0 | 0 | 0 | 0 | 107.2 | T116 E120 | T116-T118 PolarHBondContact O-N 3.21Å; T118-E120 PolarHBondContact O-N 2.95Å | ||
| 119 | D | 40 | Very low | 42.7 | Very low | 174 Ų | 174 | 129.8 Ų | 129.8 | 93% | 0.93 | 74% | 0.736 | S | S | * | * | trans | -62.9 | 76.8 | 155 | -84.3 | -36 | 0 | 0 | 0 | 108.1 | ||||
| 120 | E | 36.4 | Very low | 44.6 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 61% | 0.607 | 73% | 0.731 | S | S | * | * | trans | -114.6 | 116.2 | 166.1 | -156.2 | 173.8 | -156.2 | 0 | 0 | 106.4 | T118 H123 | T118-E120 PolarHBondContact O-N 2.95Å; E120-H123 IonicContact OE1-NE2 3.98Å | ||
| 121 | P | 40.9 | Very low | 46.1 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 67% | 0.669 | 71% | 0.711 | S | S | * | * | trans | -59.8 | 146 | 177.4 | 27 | -31.8 | 0 | 0 | 0 | 107.7 | H123 | P121-H123 PolarHBondContact O-N 3.4Š| ||
| 122 | P | 39.7 | Very low | 48.1 | Very low | 114 Ų | 114 | 121.8 Ų | 121.8 | 74% | 0.74 | 69% | 0.687 | S | S | * | * | trans | -54.6 | 120.4 | 179.8 | 23.1 | -31.6 | 0 | 0 | 0 | 107.4 | V124 | P122-V124 PolarHBondContact O-N 2.9Š| ||
| 123 | H | 41.5 | Very low | 49.6 | Very low | 157 Ų | 157 | 120.8 Ų | 120.8 | 73% | 0.727 | 67% | 0.672 | S | S | * | * | trans | -58.1 | 89.1 | 167.6 | -88.5 | -61.7 | 0 | 0 | 0 | 107.1 | E120 P121 Q125 | E120-H123 IonicContact OE1-NE2 3.98Å; P121-H123 PolarHBondContact O-N 3.4Å; H123-Q125 PolarHBondContact O-N 2.95Å | ||
| 124 | V | 45.6 | Very low | 51.1 | Low | 111 Ų | 111 | 119.6 Ų | 119.6 | 67% | 0.673 | 66% | 0.655 | S | S | * | * | trans | -59.7 | 101.6 | 160.4 | 178.5 | 0 | 0 | 0 | 0 | 102.8 | P122 V126 | P122-V124 PolarHBondContact O-N 2.9Å; V124-V126 HydrophobicContact CG1-CG2 4.4Å; V124-V126 PolarHBondContact O-N 2.66Å | ||
| 125 | Q | 47.9 | Very low | 53.2 | Low | 182 Ų | 182 | 120 Ų | 120 | 85% | 0.85 | 64% | 0.641 | S | S | * | * | trans | -59.2 | 95.8 | 165.3 | -71.6 | -170.9 | -16.9 | 0 | 0 | 105.3 | H123 E127 | H123-Q125 PolarHBondContact O-N 2.95Å; Q125-E127 PolarHBondContact O-N 3.04Å | ||
| 126 | V | 56.3 | Low | 54.6 | Low | 123 Ų | 123 | 114.2 Ų | 114.2 | 75% | 0.745 | 62% | 0.616 | S | S | * | * | trans | -64.9 | 97.4 | 174 | -179.8 | 0 | 0 | 0 | 0 | 104.5 | V124 T128 | V124-V126 HydrophobicContact CG1-CG2 4.4Å; V124-V126 PolarHBondContact O-N 2.66Å; V126-T128 PolarHBondContact O-N 3.23Å | ||
| 127 | E | 58.6 | Low | 56.2 | Low | 68 Ų | 68 | 112.7 Ų | 112.7 | 32% | 0.318 | 60% | 0.604 | S | S | . | * | trans | -53.4 | 114 | 175.5 | -169.5 | 173.6 | -169.5 | 0 | 0 | 106.6 | Q125 E129 A131 K132 R135 | Q125-E127 PolarHBondContact O-N 3.04Å; E127-E129 PolarHBondContact O-N 2.98Å; E127-A131 HydrophobicContact CG-CB 4.03Å; E127-K132 HydrophobicContact CG-CB 4.03Å; E127-R135 WeakPolarHBondContact OE1-CD 3.49Å; E127-R135 IonicContact OE1-CZ 3.8Å; E127-R135 IonicContact OE1-NE 2.85Å; E127-R135 IonicContact OE1-NH1 3.6Å; E127-R135 PolarHBondContact OE1-NH1 3.49Å; E127-R135 VanDerWaalsContact OE1-NH1 3.1Å; E127-R135 IonicContact OE2-CZ 3.73Å; E127-R135 IonicContact OE2-NH1 3.1Å; E127-R135 PolarHBondContact OE2-NH1 3.37Å | ||
| 128 | T | 76.1 | Confident | 57.3 | Low | 90 Ų | 90 | 116.9 Ų | 116.9 | 55% | 0.552 | 60% | 0.604 | S | S | * | * | trans | -52.3 | 139 | 179.6 | -43.5 | 0 | 0 | 0 | 0 | 108.4 | V126 E130 A131 K132 | V126-T128 PolarHBondContact O-N 3.23Å; T128-E130 HydrophobicContact CG2-CB 4.34Å; T128-E130 HydrophobicContact CG2-CG 4.49Å; T128-E130 PolarHBondContact O-N 3.26Å; T128-A131 WeakPolarHBondContact O-CA 3.4Å; T128-A131 WeakPolarHBondContact O-CB 3.17Å; T128-A131 PolarHBondContact O-N 3.18Å; T128-K132 PolarHBondContact O-N 3.18Å | ||
| 129 | E | 72.8 | Confident | 58.8 | Low | 123 Ų | 123 | 116.7 Ų | 116.7 | 58% | 0.575 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -54 | -30.1 | -178.6 | -74 | -63.8 | 140.9 | 0 | 0 | 111.8 | E127 K132 Q133 | E127-E129 PolarHBondContact O-N 2.98Å; E129-K132 IonicContact OE1-NZ 3.78Å; E129-K132 PolarHBondContact OE1-NZ 3.49Å; E129-K132 IonicContact OE2-NZ 2.64Å; E129-K132 PolarHBondContact OE2-NZ 3.01Å; E129-Q133 WeakPolarHBondContact O-CB 3.36Å; E129-Q133 PolarHBondContact O-N 3.45Å |
| 130 | E | 70.8 | Confident | 59.7 | Low | 159 Ų | 159 | 118.9 Ų | 118.9 | 74% | 0.743 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.9 | -43.2 | 171 | -60.7 | -176.9 | 170.6 | 0 | 0 | 113.8 | T128 Q133 A134 | T128-E130 HydrophobicContact CG2-CB 4.34Å; T128-E130 HydrophobicContact CG2-CG 4.49Å; T128-E130 PolarHBondContact O-N 3.26Å; E130-Q133 PolarHBondContact O-N 3.15Å; E130-A134 VanDerWaalsContact O-CB 3.3Å; E130-A134 WeakPolarHBondContact O-CB 3.42Å; E130-A134 PolarHBondContact O-N 2.98Å |
| 131 | A | 70.8 | Confident | 61.2 | Low | 48 Ų | 48 | 119 Ų | 119 | 40% | 0.397 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69.7 | -39.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | E127 T128 A134 R135 | E127-A131 HydrophobicContact CG-CB 4.03Å; T128-A131 WeakPolarHBondContact O-CA 3.4Å; T128-A131 WeakPolarHBondContact O-CB 3.17Å; T128-A131 PolarHBondContact O-N 3.18Å; A131-A134 PolarHBondContact O-N 3.12Å; A131-R135 WeakPolarHBondContact O-CB 3.41Å; A131-R135 PolarHBondContact O-N 2.57Å |
| 132 | K | 70.9 | Confident | 62.5 | Low | 84 Ų | 84 | 117.6 Ų | 117.6 | 37% | 0.365 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.5 | -43.1 | 173.9 | -174.8 | 178.2 | 165.7 | -162.5 | 0 | 111.2 | E127 T128 E129 R135 L136 | E127-K132 HydrophobicContact CG-CB 4.03Å; T128-K132 PolarHBondContact O-N 3.18Å; E129-K132 IonicContact OE1-NZ 3.78Å; E129-K132 PolarHBondContact OE1-NZ 3.49Å; E129-K132 IonicContact OE2-NZ 2.64Å; E129-K132 PolarHBondContact OE2-NZ 3.01Å; K132-R135 PolarHBondContact O-N 3.29Å; K132-L136 HydrophobicContact CG-CD1 4.16Å; K132-L136 WeakPolarHBondContact O-CB 3.14Å; K132-L136 VanDerWaalsContact O-CG 3.25Å; K132-L136 WeakPolarHBondContact O-CG 3.33Å; K132-L136 PolarHBondContact O-N 3.26Å |
| 133 | Q | 68.8 | Low | 63.9 | Low | 101 Ų | 101 | 116 Ų | 116 | 47% | 0.472 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63 | -44.9 | 173.7 | -169.8 | 64.9 | 28.5 | 0 | 0 | 111.2 | E129 E130 R135 L136 D137 | E129-Q133 WeakPolarHBondContact O-CB 3.36Å; E129-Q133 PolarHBondContact O-N 3.45Å; E130-Q133 PolarHBondContact O-N 3.15Å; Q133-R135 VanDerWaalsContact C-N 3.29Å; Q133-R135 PolarHBondContact O-N 3.41Å; Q133-L136 PolarHBondContact O-N 2.86Å; Q133-D137 WeakPolarHBondContact O-CB 3.4Å; Q133-D137 PolarHBondContact O-N 3.4Å |
| 134 | A | 68.6 | Low | 65.3 | Low | 48 Ų | 48 | 116.6 Ų | 116.6 | 40% | 0.397 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.9 | -34.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E130 A131 R138 | E130-A134 VanDerWaalsContact O-CB 3.3Å; E130-A134 WeakPolarHBondContact O-CB 3.42Å; E130-A134 PolarHBondContact O-N 2.98Å; A131-A134 PolarHBondContact O-N 3.12Å; A134-R138 VanDerWaalsContact O-CG 3.26Å; A134-R138 WeakPolarHBondContact O-CG 3.42Å; A134-R138 PolarHBondContact O-N 3.17Å; A134-R138 VanDerWaalsContact O-N 3.16Å |
| 135 | R | 72.1 | Confident | 66.6 | Low | 143 Ų | 143 | 114.3 Ų | 114.3 | 54% | 0.54 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -72.4 | -41.6 | 174.9 | -163.5 | 177.4 | 96.1 | -169.4 | 11.2 | 112.1 | E127 A131 K132 Q133 D137 R138 Q139 | E127-R135 WeakPolarHBondContact OE1-CD 3.49Å; E127-R135 IonicContact OE1-CZ 3.8Å; E127-R135 IonicContact OE1-NE 2.85Å; E127-R135 IonicContact OE1-NH1 3.6Å; E127-R135 PolarHBondContact OE1-NH1 3.49Å; E127-R135 VanDerWaalsContact OE1-NH1 3.1Å; E127-R135 IonicContact OE2-CZ 3.73Å; E127-R135 IonicContact OE2-NH1 3.1Å; E127-R135 PolarHBondContact OE2-NH1 3.37Å; A131-R135 WeakPolarHBondContact O-CB 3.41Å; A131-R135 PolarHBondContact O-N 2.57Å; K132-R135 PolarHBondContact O-N 3.29Å; Q133-R135 VanDerWaalsContact C-N 3.29Å; Q133-R135 PolarHBondContact O-N 3.41Å; R135-D137 VanDerWaalsContact C-N 3.32Å; R135-R138 CarbonylContact O-C 3.26Å; R135-R138 WeakPolarHBondContact O-CB 3.45Å; R135-R138 PolarHBondContact O-N 2.98Å; R135-R138 VanDerWaalsContact O-N 3.16Å; R135-Q139 PolarHBondContact O-N 3.02Å |
| 136 | L | 66.2 | Low | 68.1 | Low | 71 Ų | 71 | 110.5 Ų | 110.5 | 37% | 0.372 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.1 | -36.6 | 174.2 | -74.3 | 164.9 | 0 | 0 | 0 | 111.5 | K132 Q133 R138 Q139 | K132-L136 HydrophobicContact CG-CD1 4.16Å; K132-L136 WeakPolarHBondContact O-CB 3.14Å; K132-L136 VanDerWaalsContact O-CG 3.25Å; K132-L136 WeakPolarHBondContact O-CG 3.33Å; K132-L136 PolarHBondContact O-N 3.26Å; Q133-L136 PolarHBondContact O-N 2.86Å; L136-R138 VanDerWaalsContact C-N 3.27Å; L136-R138 PolarHBondContact O-N 2.84Å; L136-Q139 WeakPolarHBondContact O-CB 3.41Å; L136-Q139 PolarHBondContact O-N 2.75Å |
| 137 | D | 63.3 | Low | 69.3 | Low | 89 Ų | 89 | 108.7 Ų | 108.7 | 48% | 0.476 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -71.3 | -21.9 | 173.6 | -78.7 | -28.6 | 0 | 0 | 0 | 113.5 | Q133 R135 K141 | Q133-D137 WeakPolarHBondContact O-CB 3.4Å; Q133-D137 PolarHBondContact O-N 3.4Å; R135-D137 VanDerWaalsContact C-N 3.32Å; D137-K141 IonicContact OD1-NZ 2.88Å; D137-K141 PolarHBondContact OD1-NZ 3.16Å |
| 138 | R | 62.4 | Low | 70.6 | Confident | 221 Ų | 221 | 108.8 Ų | 108.8 | 83% | 0.834 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -7.6 | 171.1 | -74.6 | 173.2 | 176.7 | -167.9 | 1.9 | 113.8 | A134 R135 L136 | A134-R138 VanDerWaalsContact O-CG 3.26Å; A134-R138 WeakPolarHBondContact O-CG 3.42Å; A134-R138 PolarHBondContact O-N 3.17Å; A134-R138 VanDerWaalsContact O-N 3.16Å; R135-R138 CarbonylContact O-C 3.26Å; R135-R138 WeakPolarHBondContact O-CB 3.45Å; R135-R138 PolarHBondContact O-N 2.98Å; R135-R138 VanDerWaalsContact O-N 3.16Å; L136-R138 VanDerWaalsContact C-N 3.27Å; L136-R138 PolarHBondContact O-N 2.84Å |
| 139 | Q | 65 | Low | 71.1 | Confident | 111 Ų | 111 | 109.1 Ų | 109.1 | 52% | 0.519 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -72.2 | 145.7 | 174.3 | -76.1 | -177.4 | -11.3 | 0 | 0 | 111 | R135 L136 K141 | R135-Q139 PolarHBondContact O-N 3.02Å; L136-Q139 WeakPolarHBondContact O-CB 3.41Å; L136-Q139 PolarHBondContact O-N 2.75Å; Q139-K141 PolarHBondContact O-N 3.19Å |
| 140 | W | 59.5 | Low | 71.8 | Confident | 221 Ų | 221 | 105.1 Ų | 105.1 | 84% | 0.837 | 54% | 0.535 | S | S | * | . | trans | -61.1 | 111.6 | 174.1 | -178.8 | 88.1 | 0 | 0 | 0 | 109.2 | P142 | W140-P142 HydrophobicContact CH2-CB 3.76Å; W140-P142 HydrophobicContact CZ3-CB 3.75Å; W140-P142 HydrophobicContact CZ3-CG 4.36Å | ||
| 141 | K | 66.9 | Low | 72.9 | Confident | 131 Ų | 131 | 101.7 Ų | 101.7 | 57% | 0.57 | 53% | 0.527 | S | S | * | . | trans | -92 | 126.4 | 172.3 | -65.2 | 178.6 | -173.3 | 174.7 | 0 | 107.5 | D137 Q139 L143 | D137-K141 IonicContact OD1-NZ 2.88Å; D137-K141 PolarHBondContact OD1-NZ 3.16Å; Q139-K141 PolarHBondContact O-N 3.19Å; K141-L143 PolarHBondContact O-N 3.2Å | ||
| 142 | P | 68.3 | Low | 73.8 | Confident | 75 Ų | 75 | 103.4 Ų | 103.4 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | trans | -59.7 | 133.7 | 175.8 | 23.8 | -31.9 | 0 | 0 | 0 | 109.4 | W140 K144 | W140-P142 HydrophobicContact CH2-CB 3.76Å; W140-P142 HydrophobicContact CZ3-CB 3.75Å; W140-P142 HydrophobicContact CZ3-CG 4.36Å; P142-K144 VanDerWaalsContact C-N 3.31Å; P142-K144 PolarHBondContact O-N 3.1Å | ||
| 143 | L | 69.9 | Low | 74.8 | Confident | 79 Ų | 79 | 99.8 Ų | 99.8 | 41% | 0.414 | 51% | 0.514 | S | S | . | . | trans | -69.9 | 88 | 175.1 | -174.4 | 72.4 | 0 | 0 | 0 | 109.1 | K141 V145 G226 | K141-L143 PolarHBondContact O-N 3.2Å; L143-V145 HydrophobicContact CD2-CG2 4.16Å; L143-V145 HydrophobicContact CG-CG2 3.99Å; L143-G226 WeakPolarHBondContact CD1-O 3.07Å | ||
| 144 | K | 70.9 | Confident | 76.1 | Confident | 170 Ų | 170 | 97.8 Ų | 97.8 | 74% | 0.739 | 50% | 0.502 | S | S | * | . | trans | -81.8 | 116.1 | 169.2 | -71.1 | -172.8 | 179.5 | -177.2 | 0 | 108 | P142 | P142-K144 VanDerWaalsContact C-N 3.31Å; P142-K144 PolarHBondContact O-N 3.1Å | ||
| 145 | V | 71.9 | Confident | 77.2 | Confident | 63 Ų | 63 | 97 Ų | 97 | 38% | 0.382 | 50% | 0.496 | S | S | . | . | trans | -99.1 | 103.6 | 176.2 | -172.5 | 0 | 0 | 0 | 0 | 106.8 | L143 L150 | L143-V145 HydrophobicContact CD2-CG2 4.16Å; L143-V145 HydrophobicContact CG-CG2 3.99Å; V145-L150 HydrophobicContact CG1-CD1 3.16Å | ||
| 146 | D | 79.8 | Confident | 78.3 | Confident | 103 Ų | 103 | 94.3 Ų | 94.3 | 55% | 0.551 | 49% | 0.486 | S | S | * | . | trans | -76.3 | 128.7 | 176.1 | -73.4 | -42.2 | 0 | 0 | 0 | 110.1 | G148 D149 L150 | D146-G148 PolarHBondContact O-N 2.85Å; D146-D149 PolarHBondContact O-N 3.34Å; D146-D149 VanDerWaalsContact O-N 3.09Å; D146-L150 PolarHBondContact O-N 2.88Å | ||
| 147 | A | 82.4 | Confident | 79.6 | Confident | 84 Ų | 84 | 91 Ų | 91 | 69% | 0.694 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -28 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D149 | A147-D149 VanDerWaalsContact C-N 3.33Š|
| 148 | G | 84.9 | Confident | 81.1 | Confident | 70 Ų | 70 | 86.9 Ų | 86.9 | 72% | 0.722 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -29.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D146 P151 | D146-G148 PolarHBondContact O-N 2.85Å; G148-P151 WeakPolarHBondContact O-CD 3.47Å |
| 149 | D | 86.8 | Confident | 82.6 | Confident | 97 Ų | 97 | 78.7 Ų | 78.7 | 52% | 0.519 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -13.4 | -177.2 | -70.8 | -18.3 | 0 | 0 | 0 | 113 | D146 A147 P151 D152 V153 | D146-D149 PolarHBondContact O-N 3.34Å; D146-D149 VanDerWaalsContact O-N 3.09Å; A147-D149 VanDerWaalsContact C-N 3.33Å; D149-P151 VanDerWaalsContact C-CD 3.49Å; D149-D152 PolarHBondContact O-N 3.06Å; D149-V153 WeakPolarHBondContact O-CG2 3.47Å; D149-V153 PolarHBondContact O-N 3.06Å |
| 150 | L | 88.8 | Confident | 83.9 | Confident | 39 Ų | 39 | 77.7 Ų | 77.7 | 20% | 0.204 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -52.3 | -46.5 | -178.4 | -118.8 | 73.3 | 0 | 0 | 0 | 114 | V145 D146 D152 V153 Y154 | V145-L150 HydrophobicContact CG1-CD1 3.16Å; D146-L150 PolarHBondContact O-N 2.88Å; L150-D152 VanDerWaalsContact C-N 3.34Å; L150-D152 PolarHBondContact O-N 3.04Å; L150-V153 PolarHBondContact O-N 3.01Å; L150-Y154 HydrophobicContact CB-CE2 4.31Å; L150-Y154 HydrophobicContact CD2-CE2 3.79Å; L150-Y154 WeakPolarHBondContact CD2-OH 3.42Å; L150-Y154 HydrophobicContact CG-CE2 3.96Å; L150-Y154 WeakPolarHBondContact O-CD2 3.31Å; L150-Y154 PolarHBondContact O-N 3.1Å |
| 151 | P | 91.9 | Very high | 85.5 | Confident | 88 Ų | 88 | 76.1 Ų | 76.1 | 57% | 0.571 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -60.1 | -42.5 | -179.6 | -24.8 | 35.3 | 0 | 0 | 0 | 112.7 | G148 D149 Y154 A155 | G148-P151 WeakPolarHBondContact O-CD 3.47Å; D149-P151 VanDerWaalsContact C-CD 3.49Å; P151-Y154 PolarHBondContact O-N 2.96Å; P151-A155 VanDerWaalsContact O-CB 3.3Å; P151-A155 WeakPolarHBondContact O-CB 3.26Å; P151-A155 PolarHBondContact O-N 3.3Å |
| 152 | D | 91.6 | Very high | 86.7 | Confident | 83 Ų | 83 | 73.3 Ų | 73.3 | 44% | 0.444 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.6 | -39.8 | 176.6 | 176.6 | 58.9 | 0 | 0 | 0 | 111.3 | D149 L150 A155 R156 | D149-D152 PolarHBondContact O-N 3.06Å; L150-D152 VanDerWaalsContact C-N 3.34Å; L150-D152 PolarHBondContact O-N 3.04Å; D152-A155 PolarHBondContact O-N 3.35Å; D152-R156 WeakPolarHBondContact O-CB 3.39Å; D152-R156 WeakPolarHBondContact O-CG 3.43Å; D152-R156 PolarHBondContact O-N 3.1Å; D152-R156 IonicContact OD1-NE 3.19Å; D152-R156 IonicContact OD2-CZ 3.42Å; D152-R156 IonicContact OD2-NE 2.6Å; D152-R156 PolarHBondContact OD2-NE 3.15Å; D152-R156 IonicContact OD2-NH1 2.88Å; D152-R156 IonicContact OD2-NH2 3.67Å; D152-R156 PolarHBondContact OD2-NH2 3.34Å |
| 153 | V | 91.8 | Very high | 88 | Confident | 8 Ų | 8 | 70 Ų | 70 | 5% | 0.048 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 175.3 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | D149 L150 R156 L157 P222 I228 | D149-V153 WeakPolarHBondContact O-CG2 3.47Å; D149-V153 PolarHBondContact O-N 3.06Å; L150-V153 PolarHBondContact O-N 3.01Å; V153-R156 PolarHBondContact O-N 3.09Å; V153-L157 WeakPolarHBondContact O-CB 3.48Å; V153-L157 PolarHBondContact O-N 3.44Å; V153-P222 HydrophobicContact CG1-CB 4.03Å; V153-P222 HydrophobicContact CG1-CG 4.49Å; V153-I228 HydrophobicContact CG1-CB 4.41Å; V153-I228 HydrophobicContact CG1-CD1 3.98Å; V153-I228 HydrophobicContact CG1-CG1 4.11Å; V153-I228 HydrophobicContact CG1-CG2 3.51Å |
| 154 | Y | 94.3 | Very high | 89.2 | Confident | 59 Ų | 59 | 68.6 Ų | 68.6 | 23% | 0.231 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66 | -40.7 | 175.5 | -66.5 | -32.9 | 0 | 0 | 0 | 112.3 | L150 P151 R156 L157 A158 H232 F236 | L150-Y154 HydrophobicContact CB-CE2 4.31Å; L150-Y154 HydrophobicContact CD2-CE2 3.79Å; L150-Y154 WeakPolarHBondContact CD2-OH 3.42Å; L150-Y154 HydrophobicContact CG-CE2 3.96Å; L150-Y154 WeakPolarHBondContact O-CD2 3.31Å; L150-Y154 PolarHBondContact O-N 3.1Å; P151-Y154 PolarHBondContact O-N 2.96Å; Y154-R156 VanDerWaalsContact C-N 3.28Å; Y154-R156 PolarHBondContact O-N 3.17Å; Y154-L157 PolarHBondContact O-N 2.78Å; Y154-A158 WeakPolarHBondContact O-CB 3.39Å; Y154-A158 PolarHBondContact O-N 2.95Å; Y154-H232 AromaticContact CE1-CD2 3.93Å; Y154-H232 AromaticContact CE1-NE2 3.61Å; Y154-H232 AromaticContact CZ-NE2 3.6Å; Y154-H232 PolarHBondContact OH-NE2 2.94Å; Y154-F236 AromaticContact CD1-CD2 3.76Å; Y154-F236 HydrophobicContact CD1-CD2 3.76Å; Y154-F236 AromaticContact CD1-CE2 3.9Å; Y154-F236 HydrophobicContact CD1-CE2 3.9Å; Y154-F236 HydrophobicContact CD1-CG 4.15Å; Y154-F236 HydrophobicContact CD1-CZ 4.4Å; Y154-F236 HydrophobicContact CD2-CE2 4.2Å; Y154-F236 HydrophobicContact CE1-CB 4.47Å; Y154-F236 AromaticContact CE1-CD2 3.83Å; Y154-F236 HydrophobicContact CE1-CD2 3.83Å; Y154-F236 HydrophobicContact CE1-CE2 4.37Å; Y154-F236 HydrophobicContact CE1-CG 4.23Å; Y154-F236 HydrophobicContact CG-CD2 4.12Å; Y154-F236 AromaticContact CG-CE2 3.81Å; Y154-F236 HydrophobicContact CG-CE2 3.81Å; Y154-F236 HydrophobicContact CG-CZ 4.3Å |
| 155 | A | 93.8 | Very high | 90.3 | Very high | 33 Ų | 33 | 64.2 Ų | 64.2 | 27% | 0.273 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60 | -39.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | P151 D152 K159 I160 | P151-A155 VanDerWaalsContact O-CB 3.3Å; P151-A155 WeakPolarHBondContact O-CB 3.26Å; P151-A155 PolarHBondContact O-N 3.3Å; D152-A155 PolarHBondContact O-N 3.35Å; A155-K159 WeakPolarHBondContact O-CA 3.3Å; A155-K159 PolarHBondContact O-N 3.2Å; A155-K159 VanDerWaalsContact O-N 3.12Å; A155-I160 HydrophobicContact CB-CB 4.43Å; A155-I160 HydrophobicContact CB-CG2 4.18Å; A155-I160 PolarHBondContact O-N 3.01Å |
| 156 | R | 93.9 | Very high | 91.4 | Very high | 86 Ų | 86 | 62.7 Ų | 62.7 | 33% | 0.325 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -72.2 | -37.4 | 173.9 | -72.1 | -173.4 | -67.8 | -168.6 | -5.4 | 112.9 | D152 V153 Y154 K159 Q205 P222 | D152-R156 WeakPolarHBondContact O-CB 3.39Å; D152-R156 WeakPolarHBondContact O-CG 3.43Å; D152-R156 PolarHBondContact O-N 3.1Å; D152-R156 IonicContact OD1-NE 3.19Å; D152-R156 IonicContact OD2-CZ 3.42Å; D152-R156 IonicContact OD2-NE 2.6Å; D152-R156 PolarHBondContact OD2-NE 3.15Å; D152-R156 IonicContact OD2-NH1 2.88Å; D152-R156 IonicContact OD2-NH2 3.67Å; D152-R156 PolarHBondContact OD2-NH2 3.34Å; V153-R156 PolarHBondContact O-N 3.09Å; Y154-R156 VanDerWaalsContact C-N 3.28Å; Y154-R156 PolarHBondContact O-N 3.17Å; R156-K159 PolarHBondContact O-N 2.87Å; R156-Q205 PolarHBondContact O-NE2 3.4Å; R156-P222 HydrophobicContact CB-CG 3.67Å |
| 157 | L | 93.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.6 | -48.4 | 177 | -175.1 | 65.2 | 0 | 0 | 0 | 111.2 | V153 Y154 K159 Q205 L223 I228 A233 F236 | V153-L157 WeakPolarHBondContact O-CB 3.48Å; V153-L157 PolarHBondContact O-N 3.44Å; Y154-L157 PolarHBondContact O-N 2.78Å; L157-K159 PolarHBondContact O-N 2.96Å; L157-Q205 HydrophobicContact CD1-CB 4.24Å; L157-Q205 PolarHBondContact O-NE2 2.89Å; L157-L223 HydrophobicContact CD1-CD1 3.92Å; L157-L223 HydrophobicContact CD1-CG 4.29Å; L157-I228 HydrophobicContact CD1-CD1 4.07Å; L157-I228 HydrophobicContact CD2-CD1 3.69Å; L157-I228 HydrophobicContact CG-CD1 4.31Å; L157-A233 HydrophobicContact CD1-CB 4.23Å; L157-A233 HydrophobicContact CD2-CB 3.96Å; L157-F236 HydrophobicContact CD2-CB 4.44Å; L157-F236 HydrophobicContact CD2-CD1 3.63Å; L157-F236 HydrophobicContact CD2-CE1 4.21Å; L157-F236 HydrophobicContact CD2-CG 4.24Å; L157-F236 HydrophobicContact CG-CD1 4.46Å |
| 158 | A | 94.2 | Very high | 92.7 | Very high | 3 Ų | 3 | 58.9 Ų | 58.9 | 3% | 0.025 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -9.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y154 T163 C198 F236 | Y154-A158 WeakPolarHBondContact O-CB 3.39Å; Y154-A158 PolarHBondContact O-N 2.95Å; A158-T163 PolarHBondContact O-OG1 3.22Å; A158-C198 HydrophobicContact CB-CB 4.01Å; A158-F236 HydrophobicContact CB-CE1 4.29Å; A158-F236 HydrophobicContact CB-CZ 4.47Å |
| 159 | K | 94.3 | Very high | 93.3 | Very high | 49 Ų | 49 | 55.9 Ų | 55.9 | 21% | 0.213 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 60.2 | -171.8 | -61.4 | -177.2 | -175 | 160.3 | 0 | 111.1 | A155 R156 L157 K161 L162 T163 N201 | A155-K159 WeakPolarHBondContact O-CA 3.3Å; A155-K159 PolarHBondContact O-N 3.2Å; A155-K159 VanDerWaalsContact O-N 3.12Å; R156-K159 PolarHBondContact O-N 2.87Å; L157-K159 PolarHBondContact O-N 2.96Å; K159-K161 PolarHBondContact O-N 3.33Å; K159-L162 HydrophobicContact CB-CB 4.06Å; K159-L162 HydrophobicContact CD-CD2 4.14Å; K159-L162 WeakPolarHBondContact O-CA 3.17Å; K159-L162 WeakPolarHBondContact O-CB 3.45Å; K159-L162 PolarHBondContact O-N 3.37Å; K159-T163 PolarHBondContact O-N 2.98Å; K159-N201 HydrophobicContact CG-CB 4.48Å |
| 160 | I | 93.3 | Very high | 93.8 | Very high | 90 Ų | 90 | 51.4 Ų | 51.4 | 46% | 0.462 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -51.9 | -36.8 | -166.9 | -163.8 | 62.7 | 0 | 0 | 0 | 114.4 | A155 L162 T163 A164 | A155-I160 HydrophobicContact CB-CB 4.43Å; A155-I160 HydrophobicContact CB-CG2 4.18Å; A155-I160 PolarHBondContact O-N 3.01Å; I160-L162 PolarHBondContact O-N 2.85Å; I160-T163 PolarHBondContact O-N 3.44Å; I160-A164 VanDerWaalsContact O-CB 3.29Å; I160-A164 WeakPolarHBondContact O-CB 3.21Å; I160-A164 PolarHBondContact O-N 3.36Å |
| 161 | K | 93.4 | Very high | 94.1 | Very high | 189 Ų | 189 | 50.3 Ų | 50.3 | 82% | 0.822 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63.6 | -40.2 | 176 | -66.6 | -178.9 | 177.5 | 179.8 | 0 | 112.9 | K159 L165 | K159-K161 PolarHBondContact O-N 3.33Å; K161-L165 PolarHBondContact O-N 3.4Å |
| 162 | L | 92.2 | Very high | 94.3 | Very high | 72 Ų | 72 | 46.7 Ų | 46.7 | 38% | 0.377 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -71.4 | -42.4 | 176 | -179.3 | 64.2 | 0 | 0 | 0 | 110.5 | K159 I160 A164 L165 V166 | K159-L162 HydrophobicContact CB-CB 4.06Å; K159-L162 HydrophobicContact CD-CD2 4.14Å; K159-L162 WeakPolarHBondContact O-CA 3.17Å; K159-L162 WeakPolarHBondContact O-CB 3.45Å; K159-L162 PolarHBondContact O-N 3.37Å; I160-L162 PolarHBondContact O-N 2.85Å; L162-A164 VanDerWaalsContact C-N 3.33Å; L162-A164 PolarHBondContact O-N 2.89Å; L162-L165 WeakPolarHBondContact O-CB 3.41Å; L162-L165 PolarHBondContact O-N 3.41Å; L162-V166 WeakPolarHBondContact O-CG2 3.38Å; L162-V166 PolarHBondContact O-N 2.83Å |
| 163 | T | 95.8 | Very high | 94.5 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.5 | -39.5 | 176.3 | -69.9 | 0 | 0 | 0 | 0 | 112.1 | A158 K159 I160 V166 A167 G194 S197 N201 | A158-T163 PolarHBondContact O-OG1 3.22Å; K159-T163 PolarHBondContact O-N 2.98Å; I160-T163 PolarHBondContact O-N 3.44Å; T163-V166 PolarHBondContact O-N 2.99Å; T163-A167 WeakPolarHBondContact O-CB 3.35Å; T163-A167 PolarHBondContact O-N 3.47Å; T163-G194 WeakPolarHBondContact CG2-O 3.15Å; T163-S197 PolarHBondContact OG1-OG 3.28Å; T163-N201 PolarHBondContact OG1-ND2 3.15Å |
| 164 | A | 94.6 | Very high | 94.7 | Very high | 49 Ų | 49 | 42.7 Ų | 42.7 | 41% | 0.405 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.8 | -45.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | I160 L162 V166 A167 T168 | I160-A164 VanDerWaalsContact O-CB 3.29Å; I160-A164 WeakPolarHBondContact O-CB 3.21Å; I160-A164 PolarHBondContact O-N 3.36Å; L162-A164 VanDerWaalsContact C-N 3.33Å; L162-A164 PolarHBondContact O-N 2.89Å; A164-V166 VanDerWaalsContact C-N 3.34Å; A164-V166 PolarHBondContact O-N 2.94Å; A164-A167 PolarHBondContact O-N 2.64Å; A164-T168 WeakPolarHBondContact O-CB 3.25Å; A164-T168 PolarHBondContact O-N 2.81Å; A164-T168 PolarHBondContact O-OG1 3.45Å |
| 165 | L | 93 | Very high | 94.8 | Very high | 78 Ų | 78 | 41.1 Ų | 41.1 | 41% | 0.408 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.1 | -44.6 | 175.7 | -177.1 | 67.6 | 0 | 0 | 0 | 111.8 | K161 L162 T168 T169 | K161-L165 PolarHBondContact O-N 3.4Å; L162-L165 WeakPolarHBondContact O-CB 3.41Å; L162-L165 PolarHBondContact O-N 3.41Å; L165-T168 PolarHBondContact O-N 3.38Å; L165-T169 WeakPolarHBondContact O-CG2 3.45Å; L165-T169 PolarHBondContact O-N 3.49Å; L165-T169 PolarHBondContact O-OG1 3.35Å |
| 166 | V | 95.5 | Very high | 94.8 | Very high | 32 Ų | 32 | 39.8 Ų | 39.8 | 19% | 0.194 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.7 | -47.5 | 176.2 | 169.6 | 0 | 0 | 0 | 0 | 111 | L162 T163 A164 T168 T169 A170 T193 P292 | L162-V166 WeakPolarHBondContact O-CG2 3.38Å; L162-V166 PolarHBondContact O-N 2.83Å; T163-V166 PolarHBondContact O-N 2.99Å; A164-V166 VanDerWaalsContact C-N 3.34Å; A164-V166 PolarHBondContact O-N 2.94Å; V166-T168 VanDerWaalsContact C-N 3.35Å; V166-T168 PolarHBondContact O-N 2.77Å; V166-T169 PolarHBondContact O-N 3.32Å; V166-T169 PolarHBondContact O-OG1 2.93Å; V166-A170 PolarHBondContact O-N 3.23Å; V166-T193 HydrophobicContact CG1-CG2 4.11Å; V166-P292 HydrophobicContact CG1-CB 3.93Å; V166-P292 HydrophobicContact CG1-CG 3.76Å |
| 167 | A | 95.6 | Very high | 94.8 | Very high | 19 Ų | 19 | 35.7 Ų | 35.7 | 16% | 0.157 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.2 | -41.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | T163 A164 T169 A170 A171 | T163-A167 WeakPolarHBondContact O-CB 3.35Å; T163-A167 PolarHBondContact O-N 3.47Å; A164-A167 PolarHBondContact O-N 2.64Å; A167-T169 VanDerWaalsContact C-N 3.33Å; A167-T169 PolarHBondContact O-N 3.12Å; A167-A170 PolarHBondContact O-N 3.32Å; A167-A171 VanDerWaalsContact O-CB 3.32Å; A167-A171 WeakPolarHBondContact O-CB 3.26Å; A167-A171 PolarHBondContact O-N 3.26Å |
| 168 | T | 94.8 | Very high | 94.7 | Very high | 87 Ų | 87 | 38.7 Ų | 38.7 | 53% | 0.534 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.6 | -39.1 | 175.4 | -57.7 | 0 | 0 | 0 | 0 | 112 | A164 L165 V166 A171 A172 | A164-T168 WeakPolarHBondContact O-CB 3.25Å; A164-T168 PolarHBondContact O-N 2.81Å; A164-T168 PolarHBondContact O-OG1 3.45Å; L165-T168 PolarHBondContact O-N 3.38Å; V166-T168 VanDerWaalsContact C-N 3.35Å; V166-T168 PolarHBondContact O-N 2.77Å; T168-A171 WeakPolarHBondContact O-CB 3.43Å; T168-A171 PolarHBondContact O-N 2.8Å; T168-A172 PolarHBondContact O-N 2.78Å |
| 169 | T | 95.9 | Very high | 94.6 | Very high | 8 Ų | 8 | 41.1 Ų | 41.1 | 5% | 0.049 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.1 | -33.1 | 177.4 | 58 | 0 | 0 | 0 | 0 | 112.8 | L165 V166 A167 G173 P293 L315 L416 L420 | L165-T169 WeakPolarHBondContact O-CG2 3.45Å; L165-T169 PolarHBondContact O-N 3.49Å; L165-T169 PolarHBondContact O-OG1 3.35Å; V166-T169 PolarHBondContact O-N 3.32Å; V166-T169 PolarHBondContact O-OG1 2.93Å; A167-T169 VanDerWaalsContact C-N 3.33Å; A167-T169 PolarHBondContact O-N 3.12Å; T169-G173 PolarHBondContact O-N 3.31Å; T169-G173 VanDerWaalsContact O-N 3.15Å; T169-P293 WeakPolarHBondContact O-CA 3.38Å; T169-L315 HydrophobicContact CG2-CD1 4.36Å; T169-L315 HydrophobicContact CG2-CD2 3.78Å; T169-L315 HydrophobicContact CG2-CG 4.46Å; T169-L416 HydrophobicContact CG2-CD2 4.35Å; T169-L420 HydrophobicContact CG2-CD1 4.37Å |
| 170 | A | 96.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 3% | 0.025 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69 | -43.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V166 A167 A172 G173 F174 T193 P292 G296 | V166-A170 PolarHBondContact O-N 3.23Å; A167-A170 PolarHBondContact O-N 3.32Å; A170-A172 VanDerWaalsContact C-N 3.29Å; A170-A172 PolarHBondContact O-N 3.45Å; A170-G173 CarbonylContact O-C 3.51Å; A170-G173 WeakPolarHBondContact O-CA 3.36Å; A170-G173 PolarHBondContact O-N 3.03Å; A170-F174 PolarHBondContact O-N 3.42Å; A170-T193 HydrophobicContact CB-CG2 3.91Å; A170-P292 VanDerWaalsContact CA-O 3.28Å; A170-P292 WeakPolarHBondContact CA-O 3.46Å; A170-P292 HydrophobicContact CB-CB 4.2Å; A170-P292 VanDerWaalsContact CB-O 3.27Å; A170-P292 WeakPolarHBondContact CB-O 3.4Å; A170-G296 VanDerWaalsContact O-CA 3.25Å; A170-G296 WeakPolarHBondContact O-CA 3.49Å |
| 171 | A | 96.5 | Very high | 94.4 | Very high | 15 Ų | 15 | 45.6 Ų | 45.6 | 12% | 0.124 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.6 | -40.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A167 T168 G173 F174 A175 F186 | A167-A171 VanDerWaalsContact O-CB 3.32Å; A167-A171 WeakPolarHBondContact O-CB 3.26Å; A167-A171 PolarHBondContact O-N 3.26Å; T168-A171 WeakPolarHBondContact O-CB 3.43Å; T168-A171 PolarHBondContact O-N 2.8Å; A171-G173 VanDerWaalsContact C-N 3.34Å; A171-F174 PolarHBondContact O-N 2.7Å; A171-A175 WeakPolarHBondContact O-CB 3.44Å; A171-A175 PolarHBondContact O-N 3.39Å; A171-F186 HydrophobicContact CB-CE2 3.5Å; A171-F186 HydrophobicContact CB-CZ 3.7Å |
| 172 | A | 95.7 | Very high | 94.5 | Very high | 12 Ų | 12 | 40 Ų | 40 | 10% | 0.099 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.5 | -40 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T168 A170 A175 M176 L420 | T168-A172 PolarHBondContact O-N 2.78Å; A170-A172 VanDerWaalsContact C-N 3.29Å; A170-A172 PolarHBondContact O-N 3.45Å; A172-A175 PolarHBondContact O-N 2.81Å; A172-M176 WeakPolarHBondContact O-CB 3.41Å; A172-M176 VanDerWaalsContact O-CG 3.24Å; A172-M176 WeakPolarHBondContact O-CG 3.48Å; A172-M176 PolarHBondContact O-N 3.36Å; A172-L420 HydrophobicContact CB-CD1 4.11Å |
| 173 | G | 96.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -54.9 | -49 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T169 A170 A171 M176 A177 P293 | T169-G173 PolarHBondContact O-N 3.31Å; T169-G173 VanDerWaalsContact O-N 3.15Å; A170-G173 CarbonylContact O-C 3.51Å; A170-G173 WeakPolarHBondContact O-CA 3.36Å; A170-G173 PolarHBondContact O-N 3.03Å; A171-G173 VanDerWaalsContact C-N 3.34Å; G173-M176 PolarHBondContact O-N 3.31Å; G173-A177 PolarHBondContact O-N 2.96Å; G173-P293 WeakPolarHBondContact CA-O 3.49Å |
| 174 | F | 96.8 | Very high | 94.7 | Very high | 7 Ų | 7 | 45.2 Ų | 45.2 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.4 | -47.9 | 177.4 | -168.6 | -76.5 | 0 | 0 | 0 | 111.7 | A170 A171 M176 A177 F181 L185 F186 G296 A299 A300 | A170-F174 PolarHBondContact O-N 3.42Å; A171-F174 PolarHBondContact O-N 2.7Å; F174-M176 VanDerWaalsContact C-N 3.26Å; F174-M176 PolarHBondContact O-N 3.01Å; F174-A177 WeakPolarHBondContact O-CB 3.47Å; F174-A177 PolarHBondContact O-N 3.43Å; F174-F181 HydrophobicContact CD1-CD2 4.09Å; F174-F181 AromaticContact CD1-CE2 3.83Å; F174-F181 HydrophobicContact CD1-CE2 3.83Å; F174-F181 AromaticContact CE1-CD2 3.99Å; F174-F181 HydrophobicContact CE1-CD2 3.99Å; F174-F181 AromaticContact CE1-CE2 3.98Å; F174-F181 HydrophobicContact CE1-CE2 3.98Å; F174-L185 HydrophobicContact CE2-CB 4.21Å; F174-L185 HydrophobicContact CE2-CD2 4Å; F174-L185 HydrophobicContact CE2-CG 3.84Å; F174-L185 HydrophobicContact CZ-CB 3.98Å; F174-L185 HydrophobicContact CZ-CD2 4.06Å; F174-L185 HydrophobicContact CZ-CG 4.05Å; F174-F186 HydrophobicContact CB-CD2 4.19Å; F174-F186 HydrophobicContact CD1-CB 4.06Å; F174-F186 AromaticContact CD1-CD2 3.68Å; F174-F186 HydrophobicContact CD1-CD2 3.68Å; F174-F186 HydrophobicContact CD1-CG 4.37Å; F174-F186 HydrophobicContact CE1-CB 3.79Å; F174-F186 HydrophobicContact CE1-CD2 4.27Å; F174-F186 AromaticContact CG-CD2 3.98Å; F174-F186 HydrophobicContact CG-CD2 3.98Å; F174-F186 HydrophobicContact CZ-CB 4.11Å; F174-G296 WeakPolarHBondContact CA-O 3.43Å; F174-G296 WeakPolarHBondContact CB-O 3.39Å; F174-G296 WeakPolarHBondContact CD2-O 3.22Å; F174-G296 VanDerWaalsContact N-C 3.34Å; F174-G296 PolarHBondContact N-O 3.44Å; F174-A299 HydrophobicContact CD2-CB 3.83Å; F174-A299 HydrophobicContact CE2-CB 4.14Å; F174-A300 HydrophobicContact CD1-CB 4.23Å; F174-A300 HydrophobicContact CD2-CB 3.71Å; F174-A300 HydrophobicContact CE1-CB 4.2Å; F174-A300 HydrophobicContact CE2-CB 3.66Å; F174-A300 HydrophobicContact CG-CB 3.99Å; F174-A300 HydrophobicContact CZ-CB 3.91Å |
| 175 | A | 95.2 | Very high | 94.8 | Very high | 26 Ų | 26 | 44.6 Ų | 44.6 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.9 | -27.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A171 A172 L424 K427 | A171-A175 WeakPolarHBondContact O-CB 3.44Å; A171-A175 PolarHBondContact O-N 3.39Å; A172-A175 PolarHBondContact O-N 2.81Å; A175-L424 HydrophobicContact CB-CD2 3.68Å; A175-K427 PolarHBondContact O-NZ 3.37Å |
| 176 | M | 94.6 | Very high | 95 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.02 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -79 | -17.3 | 177 | -77.1 | -64.4 | -58.8 | 0 | 0 | 113.9 | A172 G173 F174 W297 L311 I373 T374 A423 L424 K427 | A172-M176 WeakPolarHBondContact O-CB 3.41Å; A172-M176 VanDerWaalsContact O-CG 3.24Å; A172-M176 WeakPolarHBondContact O-CG 3.48Å; A172-M176 PolarHBondContact O-N 3.36Å; G173-M176 PolarHBondContact O-N 3.31Å; F174-M176 VanDerWaalsContact C-N 3.26Å; F174-M176 PolarHBondContact O-N 3.01Å; M176-W297 HydrophobicContact CB-CE3 4.22Å; M176-W297 HydrophobicContact CB-CZ3 4Å; M176-W297 WeakPolarHBondContact O-CZ3 3.45Å; M176-L311 HydrophobicContact CB-CD1 3.52Å; M176-L311 HydrophobicContact CB-CD2 4.43Å; M176-L311 HydrophobicContact CG-CD1 3.97Å; M176-L311 HydrophobicContact CG-CD2 4.04Å; M176-I373 HydrophobicContact CE-CG2 3.55Å; M176-T374 HydrophobicContact CE-CG2 3.81Å; M176-A423 HydrophobicContact CE-CB 4.19Å; M176-A423 HydrophobicContact SD-CB 4.15Å; M176-L424 HydrophobicContact CG-CD2 3.73Å; M176-L424 HydrophobicContact CG-CG 4.22Å; M176-L424 HydrophobicContact SD-CB 4.32Å; M176-L424 HydrophobicContact SD-CD2 3.51Å; M176-L424 VanDerWaalsContact SD-CD2 3.51Å; M176-L424 HydrophobicContact SD-CG 3.79Å; M176-K427 VanDerWaalsContact O-CE 3.31Å; M176-K427 WeakPolarHBondContact O-CE 3.3Å; M176-K427 HydrophobicContact SD-CB 4.46Å |
| 177 | A | 93.6 | Very high | 95 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -61 | 142.9 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | G173 F174 V179 W297 A300 T301 K427 | G173-A177 PolarHBondContact O-N 2.96Å; F174-A177 WeakPolarHBondContact O-CB 3.47Å; F174-A177 PolarHBondContact O-N 3.43Å; A177-V179 HydrophobicContact CB-CG2 3.97Å; A177-V179 PolarHBondContact O-N 3.04Å; A177-W297 HydrophobicContact CB-CD2 4.19Å; A177-W297 HydrophobicContact CB-CE3 4.25Å; A177-A300 HydrophobicContact CB-CB 3.52Å; A177-T301 HydrophobicContact CB-CG2 3.82Å; A177-K427 WeakPolarHBondContact O-CE 3.47Å; A177-K427 PolarHBondContact O-NZ 3.15Å |
| 178 | P | 91.1 | Very high | 95.1 | Very high | 62 Ų | 62 | 49.3 Ų | 49.3 | 40% | 0.403 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -82.9 | 40.4 | -174.9 | 36.3 | -38.8 | 0 | 0 | 0 | 112.4 | W297 | P178-W297 VanDerWaalsContact CD-CH2 3.49Å; P178-W297 HydrophobicContact CG-CH2 4.38Å; P178-W297 HydrophobicContact CG-CZ2 4.06Å |
| 179 | V | 91.1 | Very high | 95.2 | Very high | 55 Ų | 55 | 45.3 Ų | 45.3 | 33% | 0.333 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -125.6 | 159 | -179.1 | -63.9 | 0 | 0 | 0 | 0 | 110.4 | A177 F181 A300 T301 | A177-V179 HydrophobicContact CB-CG2 3.97Å; A177-V179 PolarHBondContact O-N 3.04Å; V179-F181 PolarHBondContact O-N 3.19Å; V179-A300 HydrophobicContact CG2-CB 3.73Å; V179-T301 HydrophobicContact CG1-CG2 4.12Å |
| 180 | P | 91 | Very high | 95.3 | Very high | 122 Ų | 122 | 46.1 Ų | 46.1 | 79% | 0.792 | 26% | 0.264 | S | S | * | . | trans | -54.3 | 137.5 | 172.4 | -25.2 | 35.2 | 0 | 0 | 0 | 111.3 | D182 | P180-D182 PolarHBondContact O-N 3.36Š| ||
| 181 | F | 93.2 | Very high | 95.3 | Very high | 110 Ų | 110 | 49.8 Ų | 49.8 | 48% | 0.482 | 28% | 0.282 | S | S | . | . | trans | -75.6 | 115.2 | -178.2 | -172.8 | -90.8 | 0 | 0 | 0 | 110.2 | F174 V179 P183 F186 | F174-F181 HydrophobicContact CD1-CD2 4.09Å; F174-F181 AromaticContact CD1-CE2 3.83Å; F174-F181 HydrophobicContact CD1-CE2 3.83Å; F174-F181 AromaticContact CE1-CD2 3.99Å; F174-F181 HydrophobicContact CE1-CD2 3.99Å; F174-F181 AromaticContact CE1-CE2 3.98Å; F174-F181 HydrophobicContact CE1-CE2 3.98Å; V179-F181 PolarHBondContact O-N 3.19Å; F181-P183 HydrophobicContact CD1-CG 4.14Å; F181-P183 HydrophobicContact CE1-CB 4.29Å; F181-P183 HydrophobicContact CE1-CG 4.18Å; F181-P183 WeakPolarHBondContact O-CD 3.3Å; F181-F186 HydrophobicContact CE1-CB 4.27Å; F181-F186 HydrophobicContact CE1-CG 4.37Å; F181-F186 HydrophobicContact CE2-CB 4.27Å; F181-F186 AromaticContact CE2-CD2 3.74Å; F181-F186 HydrophobicContact CE2-CD2 3.74Å; F181-F186 HydrophobicContact CE2-CE2 4.26Å; F181-F186 HydrophobicContact CE2-CG 4.06Å; F181-F186 HydrophobicContact CZ-CB 3.74Å; F181-F186 AromaticContact CZ-CD1 3.99Å; F181-F186 HydrophobicContact CZ-CD1 3.99Å; F181-F186 AromaticContact CZ-CD2 3.62Å; F181-F186 HydrophobicContact CZ-CD2 3.62Å; F181-F186 HydrophobicContact CZ-CE2 4.17Å; F181-F186 AromaticContact CZ-CG 3.5Å; F181-F186 HydrophobicContact CZ-CG 3.5Å | ||
| 182 | D | 95.3 | Very high | 95.3 | Very high | 71 Ų | 71 | 49.1 Ų | 49.1 | 38% | 0.38 | 28% | 0.276 | S | S | . | . | trans | -97 | 110.1 | 171.8 | -178.8 | -19.9 | 0 | 0 | 0 | 110 | P180 V184 L185 F186 | P180-D182 PolarHBondContact O-N 3.36Å; D182-V184 VanDerWaalsContact C-N 3.31Å; D182-V184 PolarHBondContact O-N 3.03Å; D182-V184 WeakPolarHBondContact OD1-CB 3.16Å; D182-V184 PolarHBondContact OD1-N 3.36Å; D182-L185 HydrophobicContact CB-CB 3.86Å; D182-L185 PolarHBondContact O-N 3.46Å; D182-L185 PolarHBondContact OD1-N 3.06Å; D182-L185 VanDerWaalsContact OD1-N 3.13Å; D182-F186 VanDerWaalsContact O-CB 3.28Å; D182-F186 WeakPolarHBondContact O-CB 3.38Å; D182-F186 PolarHBondContact O-N 3.26Å | ||
| 183 | P | 95.9 | Very high | 95.4 | Very high | 86 Ų | 86 | 48.9 Ų | 48.9 | 56% | 0.558 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -64 | -31.5 | -179.5 | -21.5 | 33.6 | 0 | 0 | 0 | 114.1 | F181 F187 | F181-P183 HydrophobicContact CD1-CG 4.14Å; F181-P183 HydrophobicContact CE1-CB 4.29Å; F181-P183 HydrophobicContact CE1-CG 4.18Å; F181-P183 WeakPolarHBondContact O-CD 3.3Å; P183-F187 WeakPolarHBondContact O-CB 3.21Å; P183-F187 PolarHBondContact O-N 3.16Å |
| 184 | V | 96.3 | Very high | 95.5 | Very high | 102 Ų | 102 | 49.4 Ų | 49.4 | 62% | 0.618 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -72 | -49.4 | -179.3 | 178.6 | 0 | 0 | 0 | 0 | 108.9 | D182 F186 F187 V188 | D182-V184 VanDerWaalsContact C-N 3.31Å; D182-V184 PolarHBondContact O-N 3.03Å; D182-V184 WeakPolarHBondContact OD1-CB 3.16Å; D182-V184 PolarHBondContact OD1-N 3.36Å; V184-F186 VanDerWaalsContact C-N 3.29Å; V184-F186 PolarHBondContact O-N 3.07Å; V184-F187 PolarHBondContact O-N 2.87Å; V184-F187 VanDerWaalsContact O-N 3.16Å; V184-V188 HydrophobicContact CG1-CG2 4.38Å; V184-V188 WeakPolarHBondContact O-CG2 3.3Å; V184-V188 PolarHBondContact O-N 2.91Å |
| 185 | L | 96.1 | Very high | 95.6 | Very high | 36 Ų | 36 | 51 Ų | 51 | 19% | 0.188 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.8 | -37.4 | 177.6 | -166.8 | 64.8 | 0 | 0 | 0 | 111.8 | F174 D182 S189 V252 A299 | F174-L185 HydrophobicContact CE2-CB 4.21Å; F174-L185 HydrophobicContact CE2-CD2 4Å; F174-L185 HydrophobicContact CE2-CG 3.84Å; F174-L185 HydrophobicContact CZ-CB 3.98Å; F174-L185 HydrophobicContact CZ-CD2 4.06Å; F174-L185 HydrophobicContact CZ-CG 4.05Å; D182-L185 HydrophobicContact CB-CB 3.86Å; D182-L185 PolarHBondContact O-N 3.46Å; D182-L185 PolarHBondContact OD1-N 3.06Å; D182-L185 VanDerWaalsContact OD1-N 3.13Å; L185-S189 WeakPolarHBondContact O-CB 3.3Å; L185-S189 PolarHBondContact O-N 2.82Å; L185-S189 PolarHBondContact O-OG 2.98Å; L185-V252 HydrophobicContact CD1-CB 4.07Å; L185-V252 HydrophobicContact CD1-CG1 3.84Å; L185-V252 HydrophobicContact CD1-CG2 4.09Å; L185-V252 HydrophobicContact CG-CG1 4.43Å; L185-A299 VanDerWaalsContact CD2-O 3.26Å; L185-A299 WeakPolarHBondContact CD2-O 3.3Å |
| 186 | F | 97.1 | Very high | 95.7 | Very high | 62 Ų | 62 | 50.2 Ų | 50.2 | 27% | 0.272 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.5 | -47.3 | 172.2 | 174.3 | -97.5 | 0 | 0 | 0 | 112.4 | A171 F174 F181 D182 V184 S189 S190 | A171-F186 HydrophobicContact CB-CE2 3.5Å; A171-F186 HydrophobicContact CB-CZ 3.7Å; F174-F186 HydrophobicContact CB-CD2 4.19Å; F174-F186 HydrophobicContact CD1-CB 4.06Å; F174-F186 AromaticContact CD1-CD2 3.68Å; F174-F186 HydrophobicContact CD1-CD2 3.68Å; F174-F186 HydrophobicContact CD1-CG 4.37Å; F174-F186 HydrophobicContact CE1-CB 3.79Å; F174-F186 HydrophobicContact CE1-CD2 4.27Å; F174-F186 AromaticContact CG-CD2 3.98Å; F174-F186 HydrophobicContact CG-CD2 3.98Å; F174-F186 HydrophobicContact CZ-CB 4.11Å; F181-F186 HydrophobicContact CE1-CB 4.27Å; F181-F186 HydrophobicContact CE1-CG 4.37Å; F181-F186 HydrophobicContact CE2-CB 4.27Å; F181-F186 AromaticContact CE2-CD2 3.74Å; F181-F186 HydrophobicContact CE2-CD2 3.74Å; F181-F186 HydrophobicContact CE2-CE2 4.26Å; F181-F186 HydrophobicContact CE2-CG 4.06Å; F181-F186 HydrophobicContact CZ-CB 3.74Å; F181-F186 AromaticContact CZ-CD1 3.99Å; F181-F186 HydrophobicContact CZ-CD1 3.99Å; F181-F186 AromaticContact CZ-CD2 3.62Å; F181-F186 HydrophobicContact CZ-CD2 3.62Å; F181-F186 HydrophobicContact CZ-CE2 4.17Å; F181-F186 AromaticContact CZ-CG 3.5Å; F181-F186 HydrophobicContact CZ-CG 3.5Å; D182-F186 VanDerWaalsContact O-CB 3.28Å; D182-F186 WeakPolarHBondContact O-CB 3.38Å; D182-F186 PolarHBondContact O-N 3.26Å; V184-F186 VanDerWaalsContact C-N 3.29Å; V184-F186 PolarHBondContact O-N 3.07Å; F186-S189 PolarHBondContact O-OG 3.42Å; F186-S190 VanDerWaalsContact O-CB 3.25Å; F186-S190 WeakPolarHBondContact O-CB 3.39Å; F186-S190 PolarHBondContact O-N 3.29Å; F186-S190 PolarHBondContact O-OG 3.29Å |
| 187 | F | 96.9 | Very high | 95.8 | Very high | 136 Ų | 136 | 50.6 Ų | 50.6 | 60% | 0.596 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -66.7 | -47.2 | 179.7 | 179.9 | -98.4 | 0 | 0 | 0 | 111.7 | P183 V184 S189 S190 L191 | P183-F187 WeakPolarHBondContact O-CB 3.21Å; P183-F187 PolarHBondContact O-N 3.16Å; V184-F187 PolarHBondContact O-N 2.87Å; V184-F187 VanDerWaalsContact O-N 3.16Å; F187-S189 PolarHBondContact O-N 3Å; F187-S190 PolarHBondContact O-N 3.43Å; F187-L191 HydrophobicContact CE1-CD2 4.19Å; F187-L191 WeakPolarHBondContact O-CB 3.42Å; F187-L191 PolarHBondContact O-N 2.83Å |
| 188 | V | 96.9 | Very high | 96 | Very high | 29 Ų | 29 | 51.3 Ų | 51.3 | 18% | 0.176 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.4 | -43.4 | -179.6 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | V184 L191 G192 L247 A251 V252 | V184-V188 HydrophobicContact CG1-CG2 4.38Å; V184-V188 WeakPolarHBondContact O-CG2 3.3Å; V184-V188 PolarHBondContact O-N 2.91Å; V188-L191 PolarHBondContact O-N 2.79Å; V188-G192 PolarHBondContact O-N 3.49Å; V188-L247 HydrophobicContact CG1-CB 4.44Å; V188-L247 HydrophobicContact CG1-CD2 4.37Å; V188-A251 HydrophobicContact CG1-CB 3.79Å; V188-V252 HydrophobicContact CB-CG2 4.4Å; V188-V252 HydrophobicContact CG1-CG2 3.79Å |
| 189 | S | 97.1 | Very high | 96.3 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 3% | 0.028 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.4 | -39.2 | 177.1 | 61.3 | 0 | 0 | 0 | 0 | 112.7 | L185 F186 F187 T193 | L185-S189 WeakPolarHBondContact O-CB 3.3Å; L185-S189 PolarHBondContact O-N 2.82Å; L185-S189 PolarHBondContact O-OG 2.98Å; F186-S189 PolarHBondContact O-OG 3.42Å; F187-S189 PolarHBondContact O-N 3Å; S189-T193 VanDerWaalsContact O-CB 3.29Å; S189-T193 WeakPolarHBondContact O-CB 3.3Å; S189-T193 PolarHBondContact O-N 2.84Å; S189-T193 PolarHBondContact O-OG1 3.4Å |
| 190 | S | 97.1 | Very high | 96.6 | Very high | 25 Ų | 25 | 46.3 Ų | 46.3 | 18% | 0.175 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.8 | -43.7 | 175.5 | -63.2 | 0 | 0 | 0 | 0 | 111.8 | F186 F187 T193 G194 | F186-S190 VanDerWaalsContact O-CB 3.25Å; F186-S190 WeakPolarHBondContact O-CB 3.39Å; F186-S190 PolarHBondContact O-N 3.29Å; F186-S190 PolarHBondContact O-OG 3.29Å; F187-S190 PolarHBondContact O-N 3.43Å; S190-T193 PolarHBondContact O-N 2.89Å; S190-G194 PolarHBondContact O-N 3.32Å |
| 191 | L | 97.4 | Very high | 96.9 | Very high | 80 Ų | 80 | 40.7 Ų | 40.7 | 42% | 0.419 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64 | -48.4 | 176.6 | 178.9 | 60.6 | 0 | 0 | 0 | 111.4 | F187 V188 T193 G194 L195 L247 | F187-L191 HydrophobicContact CE1-CD2 4.19Å; F187-L191 WeakPolarHBondContact O-CB 3.42Å; F187-L191 PolarHBondContact O-N 2.83Å; V188-L191 PolarHBondContact O-N 2.79Å; L191-T193 VanDerWaalsContact C-N 3.33Å; L191-T193 PolarHBondContact O-N 3.48Å; L191-G194 PolarHBondContact O-N 2.9Å; L191-L195 HydrophobicContact CD1-CD1 4.39Å; L191-L195 HydrophobicContact CD1-CG 4.36Å; L191-L195 HydrophobicContact CG-CD1 4.28Å; L191-L195 WeakPolarHBondContact O-CG 3.45Å; L191-L195 PolarHBondContact O-N 2.86Å; L191-L247 HydrophobicContact CD2-CD1 4.27Å; L191-L247 HydrophobicContact CG-CD1 4.41Å |
| 192 | G | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.5 | -42.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V188 L195 A196 | V188-G192 PolarHBondContact O-N 3.49Å; G192-L195 PolarHBondContact O-N 3.28Å; G192-A196 WeakPolarHBondContact O-CB 3.38Å; G192-A196 PolarHBondContact O-N 3.14Å |
| 193 | T | 97.8 | Very high | 97 | Very high | 7 Ų | 7 | 33.9 Ų | 33.9 | 4% | 0.043 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.4 | -42.6 | 174.8 | -59 | 0 | 0 | 0 | 0 | 111.9 | V166 A170 S189 S190 L191 A196 S197 | V166-T193 HydrophobicContact CG1-CG2 4.11Å; A170-T193 HydrophobicContact CB-CG2 3.91Å; S189-T193 VanDerWaalsContact O-CB 3.29Å; S189-T193 WeakPolarHBondContact O-CB 3.3Å; S189-T193 PolarHBondContact O-N 2.84Å; S189-T193 PolarHBondContact O-OG1 3.4Å; S190-T193 PolarHBondContact O-N 2.89Å; L191-T193 VanDerWaalsContact C-N 3.33Å; L191-T193 PolarHBondContact O-N 3.48Å; T193-A196 PolarHBondContact O-N 3.46Å; T193-S197 WeakPolarHBondContact O-CB 3.25Å; T193-S197 PolarHBondContact O-N 3.42Å |
| 194 | G | 97.7 | Very high | 97 | Very high | 12 Ų | 12 | 29.8 Ų | 29.8 | 12% | 0.124 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.4 | -47.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | T163 S190 L191 S197 C198 | T163-G194 WeakPolarHBondContact CG2-O 3.15Å; S190-G194 PolarHBondContact O-N 3.32Å; L191-G194 PolarHBondContact O-N 2.9Å; G194-S197 WeakPolarHBondContact O-CB 3.44Å; G194-S197 PolarHBondContact O-N 2.95Å; G194-C198 PolarHBondContact O-N 3.45Å; G194-C198 PolarHBondContact O-SG 3.35Å |
| 195 | L | 97.9 | Very high | 96.9 | Very high | 42 Ų | 42 | 25.1 Ų | 25.1 | 22% | 0.22 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.8 | -42.9 | 176.9 | -72 | 175.2 | 0 | 0 | 0 | 112.5 | L191 G192 S197 C198 A199 C240 L247 | L191-L195 HydrophobicContact CD1-CD1 4.39Å; L191-L195 HydrophobicContact CD1-CG 4.36Å; L191-L195 HydrophobicContact CG-CD1 4.28Å; L191-L195 WeakPolarHBondContact O-CG 3.45Å; L191-L195 PolarHBondContact O-N 2.86Å; G192-L195 PolarHBondContact O-N 3.28Å; L195-S197 VanDerWaalsContact C-N 3.32Å; L195-S197 PolarHBondContact O-N 3.48Å; L195-C198 WeakPolarHBondContact O-CB 3.38Å; L195-C198 PolarHBondContact O-N 3.34Å; L195-A199 PolarHBondContact O-N 3.07Å; L195-C240 WeakPolarHBondContact CB-O 3.46Å; L195-C240 HydrophobicContact CD2-CB 4.23Å; L195-C240 WeakPolarHBondContact O-CB 3.41Å; L195-L247 HydrophobicContact CD1-CD1 4.06Å |
| 196 | A | 97.8 | Very high | 96.9 | Very high | 8 Ų | 8 | 25.5 Ų | 25.5 | 7% | 0.066 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.4 | -41.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | G192 T193 A199 A200 I264 | G192-A196 WeakPolarHBondContact O-CB 3.38Å; G192-A196 PolarHBondContact O-N 3.14Å; T193-A196 PolarHBondContact O-N 3.46Å; A196-A199 PolarHBondContact O-N 2.87Å; A196-A200 WeakPolarHBondContact O-CB 3.45Å; A196-A200 PolarHBondContact O-N 3.15Å; A196-I264 HydrophobicContact CB-CD1 3.93Å; A196-I264 HydrophobicContact CB-CG1 4.27Å |
| 197 | S | 97.6 | Very high | 96.7 | Very high | 13 Ų | 13 | 27 Ų | 27 | 9% | 0.091 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.8 | -40.7 | 174.8 | 177.5 | 0 | 0 | 0 | 0 | 112.3 | T163 T193 G194 L195 A199 A200 N201 | T163-S197 PolarHBondContact OG1-OG 3.28Å; T193-S197 WeakPolarHBondContact O-CB 3.25Å; T193-S197 PolarHBondContact O-N 3.42Å; G194-S197 WeakPolarHBondContact O-CB 3.44Å; G194-S197 PolarHBondContact O-N 2.95Å; L195-S197 VanDerWaalsContact C-N 3.32Å; L195-S197 PolarHBondContact O-N 3.48Å; S197-A199 VanDerWaalsContact C-N 3.32Å; S197-A199 PolarHBondContact O-N 3.11Å; S197-A200 PolarHBondContact O-N 3.07Å; S197-N201 WeakPolarHBondContact O-CB 3.4Å; S197-N201 PolarHBondContact O-N 3.36Å; S197-N201 PolarHBondContact O-ND2 3.25Å; S197-N201 PolarHBondContact OG-ND2 3.03Å |
| 198 | C | 97.6 | Very high | 96.5 | Very high | 15 Ų | 15 | 21 Ų | 21 | 10% | 0.101 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.4 | -46 | 173.5 | -70.5 | 0 | 0 | 0 | 0 | 111.3 | A158 G194 L195 S202 C240 | A158-C198 HydrophobicContact CB-CB 4.01Å; G194-C198 PolarHBondContact O-N 3.45Å; G194-C198 PolarHBondContact O-SG 3.35Å; L195-C198 WeakPolarHBondContact O-CB 3.38Å; L195-C198 PolarHBondContact O-N 3.34Å; C198-S202 WeakPolarHBondContact O-CB 3.47Å; C198-S202 PolarHBondContact O-N 2.85Å; C198-S202 PolarHBondContact O-OG 3.33Å; C198-C240 HydrophobicContact CB-CB 4.06Å |
| 199 | A | 97.6 | Very high | 96.3 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 2% | 0.017 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.4 | -51.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L195 A196 S197 N201 S202 I203 A237 C240 | L195-A199 PolarHBondContact O-N 3.07Å; A196-A199 PolarHBondContact O-N 2.87Å; S197-A199 VanDerWaalsContact C-N 3.32Å; S197-A199 PolarHBondContact O-N 3.11Å; A199-N201 VanDerWaalsContact C-N 3.34Å; A199-N201 PolarHBondContact O-N 2.87Å; A199-S202 PolarHBondContact O-N 3.15Å; A199-I203 WeakPolarHBondContact O-CG1 3.3Å; A199-I203 PolarHBondContact O-N 3.26Å; A199-A237 WeakPolarHBondContact CB-O 3.4Å; A199-C240 HydrophobicContact CB-CB 4.31Å |
| 200 | A | 97.1 | Very high | 95.9 | Very high | 10 Ų | 10 | 23.1 Ų | 23.1 | 8% | 0.083 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59 | -41.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A196 S197 N204 I264 Y267 T268 | A196-A200 WeakPolarHBondContact O-CB 3.45Å; A196-A200 PolarHBondContact O-N 3.15Å; S197-A200 PolarHBondContact O-N 3.07Å; A200-N204 VanDerWaalsContact O-CB 3.32Å; A200-N204 WeakPolarHBondContact O-CB 3.29Å; A200-N204 PolarHBondContact O-N 2.92Å; A200-I264 HydrophobicContact CB-CG1 4.36Å; A200-Y267 HydrophobicContact CB-CD1 3.78Å; A200-Y267 HydrophobicContact CB-CE1 4.43Å; A200-T268 HydrophobicContact CB-CG2 4.43Å |
| 201 | N | 96.3 | Very high | 95.6 | Very high | 4 Ų | 4 | 24.9 Ų | 24.9 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.2 | -40.2 | 177.4 | -79.9 | -62.1 | 0 | 0 | 0 | 112.6 | K159 T163 S197 A199 N204 Q205 | K159-N201 HydrophobicContact CG-CB 4.48Å; T163-N201 PolarHBondContact OG1-ND2 3.15Å; S197-N201 WeakPolarHBondContact O-CB 3.4Å; S197-N201 PolarHBondContact O-N 3.36Å; S197-N201 PolarHBondContact O-ND2 3.25Å; S197-N201 PolarHBondContact OG-ND2 3.03Å; A199-N201 VanDerWaalsContact C-N 3.34Å; A199-N201 PolarHBondContact O-N 2.87Å; N201-N204 PolarHBondContact O-N 3.19Å; N201-Q205 WeakPolarHBondContact O-CG 3.42Å; N201-Q205 PolarHBondContact O-N 2.88Å |
| 202 | S | 96.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.007 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.9 | -46.6 | 179 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | C198 A199 Q205 Y206 F236 | C198-S202 WeakPolarHBondContact O-CB 3.47Å; C198-S202 PolarHBondContact O-N 2.85Å; C198-S202 PolarHBondContact O-OG 3.33Å; A199-S202 PolarHBondContact O-N 3.15Å; S202-Q205 PolarHBondContact O-N 3.44Å; S202-Y206 PolarHBondContact O-N 3.5Å; S202-F236 WeakPolarHBondContact OG-CD1 3.32Å; S202-F236 WeakPolarHBondContact OG-CE1 3.42Å |
| 203 | I | 95.7 | Very high | 94.9 | Very high | 38 Ų | 38 | 23.7 Ų | 23.7 | 20% | 0.195 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.8 | -41.5 | 175.3 | -64.4 | 165.3 | 0 | 0 | 0 | 110.9 | A199 Q205 Y206 F207 A237 I264 T268 | A199-I203 WeakPolarHBondContact O-CG1 3.3Å; A199-I203 PolarHBondContact O-N 3.26Å; I203-Q205 VanDerWaalsContact C-N 3.34Å; I203-Q205 PolarHBondContact O-N 3.03Å; I203-Y206 WeakPolarHBondContact O-CB 2.73Å; I203-Y206 PolarHBondContact O-N 3.31Å; I203-F207 HydrophobicContact CG2-CD2 3.76Å; I203-F207 HydrophobicContact CG2-CE2 3.4Å; I203-F207 HydrophobicContact CG2-CZ 4.28Å; I203-F207 WeakPolarHBondContact O-CD2 3.39Å; I203-F207 PolarHBondContact O-N 3.43Å; I203-A237 HydrophobicContact CD1-CB 4.2Å; I203-A237 HydrophobicContact CG1-CB 3.69Å; I203-I264 HydrophobicContact CD1-CG2 4.45Å; I203-T268 HydrophobicContact CB-CG2 3.66Å; I203-T268 HydrophobicContact CD1-CG2 4.31Å; I203-T268 HydrophobicContact CG2-CG2 3.51Å |
| 204 | N | 95.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.8 | -42.6 | 175.9 | 173.1 | 91.9 | 0 | 0 | 0 | 111.7 | A200 N201 Y206 F207 E208 Y267 T272 K275 | A200-N204 VanDerWaalsContact O-CB 3.32Å; A200-N204 WeakPolarHBondContact O-CB 3.29Å; A200-N204 PolarHBondContact O-N 2.92Å; N201-N204 PolarHBondContact O-N 3.19Å; N204-Y206 VanDerWaalsContact C-N 3.3Å; N204-Y206 PolarHBondContact O-N 3.17Å; N204-F207 PolarHBondContact O-N 2.76Å; N204-E208 PolarHBondContact ND2-OE2 3.19Å; N204-E208 WeakPolarHBondContact O-CB 3.47Å; N204-E208 WeakPolarHBondContact O-CG 3.4Å; N204-E208 PolarHBondContact O-N 3.02Å; N204-E208 PolarHBondContact OD1-OE1 3.27Å; N204-Y267 HydrophobicContact CB-CD1 4.15Å; N204-Y267 HydrophobicContact CB-CE1 3.49Å; N204-Y267 VanDerWaalsContact CB-CE1 3.49Å; N204-T272 WeakPolarHBondContact OD1-CG2 3.08Å; N204-T272 PolarHBondContact OD1-OG1 2.83Å; N204-K275 PolarHBondContact OD1-NZ 2.89Å |
| 205 | Q | 94.4 | Very high | 94 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 1% | 0.014 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.4 | -36 | 176.4 | -70.2 | -163.2 | 47.5 | 0 | 0 | 112 | R156 L157 N201 S202 I203 E208 V209 L223 | R156-Q205 PolarHBondContact O-NE2 3.4Å; L157-Q205 HydrophobicContact CD1-CB 4.24Å; L157-Q205 PolarHBondContact O-NE2 2.89Å; N201-Q205 WeakPolarHBondContact O-CG 3.42Å; N201-Q205 PolarHBondContact O-N 2.88Å; S202-Q205 PolarHBondContact O-N 3.44Å; I203-Q205 VanDerWaalsContact C-N 3.34Å; I203-Q205 PolarHBondContact O-N 3.03Å; Q205-E208 PolarHBondContact O-N 3.15Å; Q205-V209 WeakPolarHBondContact O-CG2 3.29Å; Q205-V209 PolarHBondContact O-N 3.24Å; Q205-L223 HydrophobicContact CB-CD1 3.9Å |
| 206 | Y | 94.6 | Very high | 93.5 | Very high | 44 Ų | 44 | 29.3 Ų | 29.3 | 17% | 0.173 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60 | -46.5 | 173.8 | 170.3 | -96.7 | 0 | 0 | 0 | 112.5 | S202 I203 N204 E208 V209 P230 V234 | S202-Y206 PolarHBondContact O-N 3.5Å; I203-Y206 WeakPolarHBondContact O-CB 2.73Å; I203-Y206 PolarHBondContact O-N 3.31Å; N204-Y206 VanDerWaalsContact C-N 3.3Å; N204-Y206 PolarHBondContact O-N 3.17Å; Y206-E208 PolarHBondContact O-N 3.43Å; Y206-V209 WeakPolarHBondContact O-CG2 3.41Å; Y206-P230 HydrophobicContact CD2-CB 3.81Å; Y206-P230 HydrophobicContact CE2-CB 3.62Å; Y206-V234 HydrophobicContact CD1-CG2 4.43Å; Y206-V234 HydrophobicContact CD2-CG2 3.99Å; Y206-V234 HydrophobicContact CE2-CG2 4.24Å; Y206-V234 HydrophobicContact CG-CG2 4.09Å |
| 207 | F | 93.3 | Very high | 93 | Very high | 93 Ų | 93 | 35.2 Ų | 35.2 | 41% | 0.408 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -70.8 | -29 | 177.6 | -71.1 | -49.3 | 0 | 0 | 0 | 113.7 | I203 N204 T272 | I203-F207 HydrophobicContact CG2-CD2 3.76Å; I203-F207 HydrophobicContact CG2-CE2 3.4Å; I203-F207 HydrophobicContact CG2-CZ 4.28Å; I203-F207 WeakPolarHBondContact O-CD2 3.39Å; I203-F207 PolarHBondContact O-N 3.43Å; N204-F207 PolarHBondContact O-N 2.76Å; F207-T272 HydrophobicContact CB-CG2 3.97Å |
| 208 | E | 92.6 | Very high | 92.7 | Very high | 10 Ų | 10 | 34.7 Ų | 34.7 | 5% | 0.047 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -87.3 | -6.1 | -175.4 | -70.6 | -174.9 | 155 | 0 | 0 | 114.5 | N204 Q205 Y206 F211 D212 R221 T272 K275 | N204-E208 PolarHBondContact ND2-OE2 3.19Å; N204-E208 WeakPolarHBondContact O-CB 3.47Å; N204-E208 WeakPolarHBondContact O-CG 3.4Å; N204-E208 PolarHBondContact O-N 3.02Å; N204-E208 PolarHBondContact OD1-OE1 3.27Å; Q205-E208 PolarHBondContact O-N 3.15Å; Y206-E208 PolarHBondContact O-N 3.43Å; E208-F211 PolarHBondContact O-N 3.15Å; E208-D212 VanDerWaalsContact CB-OD2 3.3Å; E208-D212 WeakPolarHBondContact CB-OD2 3.32Å; E208-D212 WeakPolarHBondContact O-CB 3.47Å; E208-D212 PolarHBondContact O-N 3.17Å; E208-R221 IonicContact OE2-CZ 3.98Å; E208-R221 IonicContact OE2-NH1 3.1Å; E208-R221 PolarHBondContact OE2-NH1 3.01Å; E208-R221 IonicContact OE2-NH2 2.76Å; E208-T272 HydrophobicContact CG-CG2 3.99Å; E208-K275 IonicContact OE1-NZ 2.91Å; E208-K275 PolarHBondContact OE1-NZ 2.97Å |
| 209 | V | 92.4 | Very high | 92.2 | Very high | 28 Ų | 28 | 38.3 Ų | 38.3 | 17% | 0.17 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -42.8 | -56.1 | -175 | 177.2 | 0 | 0 | 0 | 0 | 115 | Q205 Y206 F211 D212 S213 L223 | Q205-V209 WeakPolarHBondContact O-CG2 3.29Å; Q205-V209 PolarHBondContact O-N 3.24Å; Y206-V209 WeakPolarHBondContact O-CG2 3.41Å; V209-F211 PolarHBondContact O-N 2.76Å; V209-D212 PolarHBondContact O-N 3.39Å; V209-S213 PolarHBondContact O-N 2.81Å; V209-L223 HydrophobicContact CG2-CB 3.76Å; V209-L223 HydrophobicContact CG2-CD1 4.32Å |
| 210 | P | 89.9 | Confident | 91.9 | Very high | 50 Ų | 50 | 43 Ų | 43 | 33% | 0.325 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -69.8 | -17.6 | -175.9 | 29.2 | -36.8 | 0 | 0 | 0 | 113.7 | F65 S213 N214 | F65-P210 HydrophobicContact CE2-CG 4.5Å; P210-S213 PolarHBondContact O-OG 2.92Å; P210-N214 PolarHBondContact O-ND2 3.29Å |
| 211 | F | 89.6 | Confident | 91.7 | Very high | 62 Ų | 62 | 43.9 Ų | 43.9 | 27% | 0.272 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -94.8 | -37.8 | 179.5 | -53.6 | -61.5 | 0 | 0 | 0 | 111 | E208 V209 S213 N214 R276 Y339 | E208-F211 PolarHBondContact O-N 3.15Å; V209-F211 PolarHBondContact O-N 2.76Å; F211-S213 PolarHBondContact O-N 3.04Å; F211-N214 PolarHBondContact O-N 3.44Å; F211-N214 VanDerWaalsContact O-N 3.12Å; F211-R276 VanDerWaalsContact CD1-NH1 3.29Å; F211-Y339 HydrophobicContact CB-CE2 4.07Å |
| 212 | D | 91.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.011 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.9 | -29.7 | 177.2 | -79.6 | -30.7 | 0 | 0 | 0 | 112 | E208 V209 N214 M215 T218 K219 R221 V224 | E208-D212 VanDerWaalsContact CB-OD2 3.3Å; E208-D212 WeakPolarHBondContact CB-OD2 3.32Å; E208-D212 WeakPolarHBondContact O-CB 3.47Å; E208-D212 PolarHBondContact O-N 3.17Å; V209-D212 PolarHBondContact O-N 3.39Å; D212-N214 PolarHBondContact O-N 2.95Å; D212-M215 PolarHBondContact O-N 3.25Å; D212-T218 VanDerWaalsContact CA-OG1 3.3Å; D212-T218 WeakPolarHBondContact CA-OG1 3.35Å; D212-T218 CarbonylContact O-C 3.32Å; D212-T218 VanDerWaalsContact O-C 3.26Å; D212-T218 PolarHBondContact O-OG1 3.42Å; D212-T218 WeakPolarHBondContact OD1-CB 3.19Å; D212-T218 PolarHBondContact OD1-OG1 3.38Å; D212-K219 WeakPolarHBondContact O-CA 3.43Å; D212-K219 PolarHBondContact O-N 3.11Å; D212-K219 VanDerWaalsContact O-N 3.08Å; D212-R221 VanDerWaalsContact CG-CZ 3.4Å; D212-R221 VanDerWaalsContact CG-NH1 3.25Å; D212-R221 IonicContact OD1-CZ 3.49Å; D212-R221 IonicContact OD1-NE 3.23Å; D212-R221 IonicContact OD1-NH1 3.75Å; D212-R221 PolarHBondContact OD1-NH1 3.08Å; D212-R221 IonicContact OD1-NH2 3.81Å; D212-R221 PolarHBondContact OD1-NH2 2.93Å; D212-R221 WeakPolarHBondContact OD2-CD 3.43Å; D212-R221 IonicContact OD2-CZ 2.76Å; D212-R221 IonicContact OD2-NE 3.95Å; D212-R221 PolarHBondContact OD2-NE 3.4Å; D212-R221 IonicContact OD2-NH1 3.12Å; D212-R221 PolarHBondContact OD2-NH1 2.9Å; D212-R221 IonicContact OD2-NH2 3.54Å; D212-V224 HydrophobicContact CB-CG2 3.58Å |
| 213 | S | 89 | Confident | 91.2 | Very high | 54 Ų | 54 | 44.4 Ų | 44.4 | 38% | 0.378 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -25.9 | 173.8 | 61.6 | 0 | 0 | 0 | 0 | 113.7 | V209 P210 F211 | V209-S213 PolarHBondContact O-N 2.81Å; P210-S213 PolarHBondContact O-OG 2.92Å; F211-S213 PolarHBondContact O-N 3.04Å |
| 214 | N | 89.3 | Confident | 90.9 | Very high | 91 Ų | 91 | 44.3 Ų | 44.3 | 49% | 0.487 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 2.1 | -175.1 | -58.5 | -19.1 | 0 | 0 | 0 | 112.9 | P210 F211 D212 | P210-N214 PolarHBondContact O-ND2 3.29Å; F211-N214 PolarHBondContact O-N 3.44Å; F211-N214 VanDerWaalsContact O-N 3.12Å; D212-N214 PolarHBondContact O-N 2.95Å |
| 215 | M | 88.8 | Confident | 90.6 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -121.3 | 128.2 | -174 | -74.9 | 179.4 | 74.2 | 0 | 0 | 110.6 | D212 R217 T218 K219 D333 Y334 Y339 | D212-M215 PolarHBondContact O-N 3.25Å; M215-R217 PolarHBondContact O-N 2.83Å; M215-T218 WeakPolarHBondContact CB-OG1 3.42Å; M215-T218 PolarHBondContact O-N 3.23Å; M215-T218 PolarHBondContact O-OG1 2.83Å; M215-K219 WeakPolarHBondContact O-CB 3.17Å; M215-K219 PolarHBondContact O-N 3.45Å; M215-D333 HydrophobicContact CE-CB 4.05Å; M215-D333 HydrophobicContact CG-CB 4.45Å; M215-D333 WeakPolarHBondContact CG-O 3.47Å; M215-Y334 HydrophobicContact CE-CD1 3.83Å; M215-Y334 HydrophobicContact CE-CE1 3.87Å; M215-Y334 HydrophobicContact CE-CG 4.46Å; M215-Y339 HydrophobicContact SD-CD2 3.93Å; M215-Y339 HydrophobicContact SD-CE2 3.57Å; M215-Y339 VanDerWaalsContact SD-CE2 3.57Å |
| 216 | N | 87.9 | Confident | 90.2 | Very high | 84 Ų | 84 | 53.2 Ų | 53.2 | 45% | 0.449 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -36.1 | -177.2 | -81.3 | -40 | 0 | 0 | 0 | 113.4 | T218 K219 | N216-T218 VanDerWaalsContact C-N 3.29Å; N216-T218 PolarHBondContact O-N 2.88Å; N216-K219 PolarHBondContact OD1-NZ 3.28Å |
| 217 | R | 85.9 | Confident | 89.9 | Confident | 133 Ų | 133 | 53.4 Ų | 53.4 | 50% | 0.502 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -27.1 | 178.4 | -170 | -176 | 70.4 | 90.9 | 0.3 | 113.6 | M215 | M215-R217 PolarHBondContact O-N 2.83Š|
| 218 | T | 90.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | -8.8 | -164.2 | 54.4 | 0 | 0 | 0 | 0 | 114 | D212 M215 N216 N220 R221 | D212-T218 VanDerWaalsContact CA-OG1 3.3Å; D212-T218 WeakPolarHBondContact CA-OG1 3.35Å; D212-T218 CarbonylContact O-C 3.32Å; D212-T218 VanDerWaalsContact O-C 3.26Å; D212-T218 PolarHBondContact O-OG1 3.42Å; D212-T218 WeakPolarHBondContact OD1-CB 3.19Å; D212-T218 PolarHBondContact OD1-OG1 3.38Å; M215-T218 WeakPolarHBondContact CB-OG1 3.42Å; M215-T218 PolarHBondContact O-N 3.23Å; M215-T218 PolarHBondContact O-OG1 2.83Å; N216-T218 VanDerWaalsContact C-N 3.29Å; N216-T218 PolarHBondContact O-N 2.88Å; T218-N220 PolarHBondContact O-N 2.6Å; T218-R221 WeakPolarHBondContact O-CB 3.48Å; T218-R221 VanDerWaalsContact O-CG 3.26Å; T218-R221 WeakPolarHBondContact O-CG 3.24Å; T218-R221 PolarHBondContact O-N 3.19Å |
| 219 | K | 88.7 | Confident | 89.7 | Confident | 92 Ų | 92 | 50.8 Ų | 50.8 | 40% | 0.4 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -23.2 | 174.8 | 67.2 | -176.7 | -179 | -173 | 0 | 113.8 | D212 M215 N216 V224 | D212-K219 WeakPolarHBondContact O-CA 3.43Å; D212-K219 PolarHBondContact O-N 3.11Å; D212-K219 VanDerWaalsContact O-N 3.08Å; M215-K219 WeakPolarHBondContact O-CB 3.17Å; M215-K219 PolarHBondContact O-N 3.45Å; N216-K219 PolarHBondContact OD1-NZ 3.28Å; K219-V224 VanDerWaalsContact O-CG1 3.3Å; K219-V224 WeakPolarHBondContact O-CG1 3.16Å |
| 220 | N | 90.1 | Very high | 89.6 | Confident | 100 Ų | 100 | 51.5 Ų | 51.5 | 54% | 0.535 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 6.7 | 179.3 | -66.4 | -24.1 | 0 | 0 | 0 | 114.2 | T218 | T218-N220 PolarHBondContact O-N 2.6Š|
| 221 | R | 92.4 | Very high | 89.7 | Confident | 29 Ų | 29 | 54.7 Ų | 54.7 | 11% | 0.109 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -65.1 | 149.7 | 177.4 | -74.8 | 178.8 | -171 | -172.8 | 13.9 | 111.2 | E208 D212 T218 L223 V224 R225 | E208-R221 IonicContact OE2-CZ 3.98Å; E208-R221 IonicContact OE2-NH1 3.1Å; E208-R221 PolarHBondContact OE2-NH1 3.01Å; E208-R221 IonicContact OE2-NH2 2.76Å; D212-R221 VanDerWaalsContact CG-CZ 3.4Å; D212-R221 VanDerWaalsContact CG-NH1 3.25Å; D212-R221 IonicContact OD1-CZ 3.49Å; D212-R221 IonicContact OD1-NE 3.23Å; D212-R221 IonicContact OD1-NH1 3.75Å; D212-R221 PolarHBondContact OD1-NH1 3.08Å; D212-R221 IonicContact OD1-NH2 3.81Å; D212-R221 PolarHBondContact OD1-NH2 2.93Å; D212-R221 WeakPolarHBondContact OD2-CD 3.43Å; D212-R221 IonicContact OD2-CZ 2.76Å; D212-R221 IonicContact OD2-NE 3.95Å; D212-R221 PolarHBondContact OD2-NE 3.4Å; D212-R221 IonicContact OD2-NH1 3.12Å; D212-R221 PolarHBondContact OD2-NH1 2.9Å; D212-R221 IonicContact OD2-NH2 3.54Å; T218-R221 WeakPolarHBondContact O-CB 3.48Å; T218-R221 VanDerWaalsContact O-CG 3.26Å; T218-R221 WeakPolarHBondContact O-CG 3.24Å; T218-R221 PolarHBondContact O-N 3.19Å; R221-L223 VanDerWaalsContact C-N 3.34Å; R221-L223 PolarHBondContact O-N 2.99Å; R221-V224 HydrophobicContact CB-CB 4.49Å; R221-V224 HydrophobicContact CB-CG2 4.13Å; R221-V224 PolarHBondContact O-N 3.35Å; R221-V224 VanDerWaalsContact O-N 3.07Å; R221-R225 PolarHBondContact O-N 3.05Å |
| 222 | P | 90.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.013 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -41.7 | -174.6 | -26.9 | 34.3 | 0 | 0 | 0 | 114.9 | V153 R156 G226 Q227 I228 | V153-P222 HydrophobicContact CG1-CB 4.03Å; V153-P222 HydrophobicContact CG1-CG 4.49Å; R156-P222 HydrophobicContact CB-CG 3.67Å; P222-G226 PolarHBondContact O-N 3.06Å; P222-Q227 HydrophobicContact CB-CB 4.3Å; P222-Q227 PolarHBondContact O-N 3.37Å; P222-I228 HydrophobicContact CB-CD1 4.38Å; P222-I228 HydrophobicContact CB-CG1 4.19Å |
| 223 | L | 91.1 | Very high | 90 | Very high | 14 Ų | 14 | 54.6 Ų | 54.6 | 7% | 0.073 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -30.9 | 179.2 | -79.5 | 168.6 | 0 | 0 | 0 | 113.4 | L157 Q205 V209 R221 G226 I228 A233 | L157-L223 HydrophobicContact CD1-CD1 3.92Å; L157-L223 HydrophobicContact CD1-CG 4.29Å; Q205-L223 HydrophobicContact CB-CD1 3.9Å; V209-L223 HydrophobicContact CG2-CB 3.76Å; V209-L223 HydrophobicContact CG2-CD1 4.32Å; R221-L223 VanDerWaalsContact C-N 3.34Å; R221-L223 PolarHBondContact O-N 2.99Å; L223-G226 PolarHBondContact O-N 2.84Å; L223-I228 HydrophobicContact CD2-CD1 4.33Å; L223-I228 HydrophobicContact CD2-CG1 4.09Å; L223-I228 HydrophobicContact CG-CD1 4.33Å; L223-I228 HydrophobicContact CG-CG1 4.33Å; L223-A233 HydrophobicContact CD1-CB 3.87Å; L223-A233 HydrophobicContact CD2-CB 3.78Å; L223-A233 HydrophobicContact CG-CB 4.17Å |
| 224 | V | 90.8 | Very high | 90.2 | Very high | 36 Ų | 36 | 54.3 Ų | 54.3 | 22% | 0.218 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -41.4 | 179.3 | 178.1 | 0 | 0 | 0 | 0 | 111 | D212 K219 R221 G226 | D212-V224 HydrophobicContact CB-CG2 3.58Å; K219-V224 VanDerWaalsContact O-CG1 3.3Å; K219-V224 WeakPolarHBondContact O-CG1 3.16Å; R221-V224 HydrophobicContact CB-CB 4.49Å; R221-V224 HydrophobicContact CB-CG2 4.13Å; R221-V224 PolarHBondContact O-N 3.35Å; R221-V224 VanDerWaalsContact O-N 3.07Å; V224-G226 PolarHBondContact O-N 3.4Å |
| 225 | R | 88.1 | Confident | 90.5 | Very high | 151 Ų | 151 | 53 Ų | 53 | 57% | 0.57 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -9.1 | 176.1 | -69.6 | -168.9 | 69.3 | -175.7 | 1.6 | 113.3 | R221 Q227 | R221-R225 PolarHBondContact O-N 3.05Å; R225-Q227 HydrophobicContact CB-CG 4.05Å |
| 226 | G | 87 | Confident | 90.9 | Very high | 38 Ų | 38 | 54.5 Ų | 54.5 | 39% | 0.392 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 57.3 | -168.1 | 0 | 0 | 0 | 0 | 0 | 110 | L143 P222 L223 V224 | L143-G226 WeakPolarHBondContact CD1-O 3.07Å; P222-G226 PolarHBondContact O-N 3.06Å; L223-G226 PolarHBondContact O-N 2.84Å; V224-G226 PolarHBondContact O-N 3.4Å |
| 227 | Q | 87.5 | Confident | 91.3 | Very high | 48 Ų | 48 | 50.6 Ų | 50.6 | 22% | 0.224 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -88.3 | -25.1 | 166.9 | -67.6 | -177.3 | -51.8 | 0 | 0 | 111.4 | P222 R225 | P222-Q227 HydrophobicContact CB-CB 4.3Å; P222-Q227 PolarHBondContact O-N 3.37Å; R225-Q227 HydrophobicContact CB-CG 4.05Å |
| 228 | I | 90.5 | Very high | 91.8 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -138.7 | 152.3 | 175.6 | 47.5 | 168.5 | 0 | 0 | 0 | 109.8 | V153 L157 P222 L223 A233 | V153-I228 HydrophobicContact CG1-CB 4.41Å; V153-I228 HydrophobicContact CG1-CD1 3.98Å; V153-I228 HydrophobicContact CG1-CG1 4.11Å; V153-I228 HydrophobicContact CG1-CG2 3.51Å; L157-I228 HydrophobicContact CD1-CD1 4.07Å; L157-I228 HydrophobicContact CD2-CD1 3.69Å; L157-I228 HydrophobicContact CG-CD1 4.31Å; P222-I228 HydrophobicContact CB-CD1 4.38Å; P222-I228 HydrophobicContact CB-CG1 4.19Å; L223-I228 HydrophobicContact CD2-CD1 4.33Å; L223-I228 HydrophobicContact CD2-CG1 4.09Å; L223-I228 HydrophobicContact CG-CD1 4.33Å; L223-I228 HydrophobicContact CG-CG1 4.33Å; I228-A233 HydrophobicContact CD1-CB 4.05Å |
| 229 | S | 90.9 | Very high | 92.1 | Very high | 45 Ų | 45 | 52 Ų | 52 | 32% | 0.315 | 29% | 0.286 | S | S | . | . | trans | -74 | 152.3 | 176.7 | 78.2 | 0 | 0 | 0 | 0 | 111.2 | L231 H232 A233 | S229-L231 VanDerWaalsContact C-N 3.26Å; S229-L231 PolarHBondContact O-N 3.27Å; S229-H232 WeakPolarHBondContact O-CB 3.41Å; S229-H232 PolarHBondContact O-N 3.36Å; S229-H232 VanDerWaalsContact O-N 3.15Å; S229-H232 WeakPolarHBondContact OG-CB 3.38Å; S229-H232 PolarHBondContact OG-N 2.95Å; S229-H232 VanDerWaalsContact OG-N 3.11Å; S229-A233 PolarHBondContact O-N 3.27Å; S229-A233 VanDerWaalsContact O-N 3.07Å | ||
| 230 | P | 90.4 | Very high | 92.5 | Very high | 42 Ų | 42 | 48.2 Ų | 48.2 | 27% | 0.273 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.1 | -36.4 | 175.6 | -22.6 | 32.3 | 0 | 0 | 0 | 112.9 | Y206 A233 V234 | Y206-P230 HydrophobicContact CD2-CB 3.81Å; Y206-P230 HydrophobicContact CE2-CB 3.62Å; P230-A233 PolarHBondContact O-N 3.04Å; P230-V234 WeakPolarHBondContact O-CG2 3.26Å; P230-V234 PolarHBondContact O-N 2.88Å |
| 231 | L | 92.4 | Very high | 92.8 | Very high | 118 Ų | 118 | 43.9 Ų | 43.9 | 62% | 0.618 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -62 | -44.4 | 175.1 | -177.6 | 64.7 | 0 | 0 | 0 | 111 | S229 A233 V234 S235 | S229-L231 VanDerWaalsContact C-N 3.26Å; S229-L231 PolarHBondContact O-N 3.27Å; L231-A233 VanDerWaalsContact C-N 3.34Å; L231-A233 PolarHBondContact O-N 3.25Å; L231-V234 PolarHBondContact O-N 3.44Å; L231-S235 WeakPolarHBondContact O-CB 3.37Å; L231-S235 PolarHBondContact O-N 2.95Å; L231-S235 PolarHBondContact O-OG 2.97Å; L231-S235 VanDerWaalsContact O-OG 3.07Å |
| 232 | H | 92.7 | Very high | 93.1 | Very high | 62 Ų | 62 | 48 Ų | 48 | 29% | 0.287 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.5 | -43.9 | 177.1 | -162.3 | 123.4 | 0 | 0 | 0 | 111.8 | Y154 S229 V234 S235 F236 | Y154-H232 AromaticContact CE1-CD2 3.93Å; Y154-H232 AromaticContact CE1-NE2 3.61Å; Y154-H232 AromaticContact CZ-NE2 3.6Å; Y154-H232 PolarHBondContact OH-NE2 2.94Å; S229-H232 WeakPolarHBondContact O-CB 3.41Å; S229-H232 PolarHBondContact O-N 3.36Å; S229-H232 VanDerWaalsContact O-N 3.15Å; S229-H232 WeakPolarHBondContact OG-CB 3.38Å; S229-H232 PolarHBondContact OG-N 2.95Å; S229-H232 VanDerWaalsContact OG-N 3.11Å; H232-V234 PolarHBondContact O-N 3.1Å; H232-S235 PolarHBondContact O-N 3.28Å; H232-F236 WeakPolarHBondContact O-CB 3.47Å; H232-F236 PolarHBondContact O-N 2.84Å |
| 233 | A | 93.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L157 L223 I228 S229 P230 L231 A237 | L157-A233 HydrophobicContact CD1-CB 4.23Å; L157-A233 HydrophobicContact CD2-CB 3.96Å; L223-A233 HydrophobicContact CD1-CB 3.87Å; L223-A233 HydrophobicContact CD2-CB 3.78Å; L223-A233 HydrophobicContact CG-CB 4.17Å; I228-A233 HydrophobicContact CD1-CB 4.05Å; S229-A233 PolarHBondContact O-N 3.27Å; S229-A233 VanDerWaalsContact O-N 3.07Å; P230-A233 PolarHBondContact O-N 3.04Å; L231-A233 VanDerWaalsContact C-N 3.34Å; L231-A233 PolarHBondContact O-N 3.25Å; A233-A237 WeakPolarHBondContact O-CB 3.4Å; A233-A237 PolarHBondContact O-N 3.31Å |
| 234 | V | 94 | Very high | 93.8 | Very high | 47 Ų | 47 | 50 Ų | 50 | 29% | 0.285 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68.7 | -42.2 | 175.5 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | Y206 P230 L231 H232 F236 A237 L238 | Y206-V234 HydrophobicContact CD1-CG2 4.43Å; Y206-V234 HydrophobicContact CD2-CG2 3.99Å; Y206-V234 HydrophobicContact CE2-CG2 4.24Å; Y206-V234 HydrophobicContact CG-CG2 4.09Å; P230-V234 WeakPolarHBondContact O-CG2 3.26Å; P230-V234 PolarHBondContact O-N 2.88Å; L231-V234 PolarHBondContact O-N 3.44Å; H232-V234 PolarHBondContact O-N 3.1Å; V234-F236 VanDerWaalsContact C-N 3.34Å; V234-F236 PolarHBondContact O-N 3.42Å; V234-A237 WeakPolarHBondContact O-CB 3.19Å; V234-A237 PolarHBondContact O-N 3.17Å; V234-A237 VanDerWaalsContact O-N 3.14Å; V234-L238 HydrophobicContact CG1-CD1 4.29Å; V234-L238 WeakPolarHBondContact O-CG 3.43Å; V234-L238 PolarHBondContact O-N 3.45Å |
| 235 | S | 96 | Very high | 94.1 | Very high | 63 Ų | 63 | 49.7 Ų | 49.7 | 44% | 0.441 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.7 | -42.9 | 174.8 | -63.3 | 0 | 0 | 0 | 0 | 111.9 | L231 H232 A237 L238 A239 | L231-S235 WeakPolarHBondContact O-CB 3.37Å; L231-S235 PolarHBondContact O-N 2.95Å; L231-S235 PolarHBondContact O-OG 2.97Å; L231-S235 VanDerWaalsContact O-OG 3.07Å; H232-S235 PolarHBondContact O-N 3.28Å; S235-A237 VanDerWaalsContact C-N 3.34Å; S235-A237 PolarHBondContact O-N 3.38Å; S235-L238 PolarHBondContact O-N 3.01Å; S235-A239 VanDerWaalsContact O-CB 3.3Å; S235-A239 WeakPolarHBondContact O-CB 3.35Å; S235-A239 PolarHBondContact O-N 2.89Å |
| 236 | F | 96.1 | Very high | 94.6 | Very high | 36 Ų | 36 | 44.3 Ų | 44.3 | 16% | 0.158 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 172.6 | 175.5 | -98.3 | 0 | 0 | 0 | 111.5 | Y154 L157 A158 S202 H232 V234 L238 A239 C240 | Y154-F236 AromaticContact CD1-CD2 3.76Å; Y154-F236 HydrophobicContact CD1-CD2 3.76Å; Y154-F236 AromaticContact CD1-CE2 3.9Å; Y154-F236 HydrophobicContact CD1-CE2 3.9Å; Y154-F236 HydrophobicContact CD1-CG 4.15Å; Y154-F236 HydrophobicContact CD1-CZ 4.4Å; Y154-F236 HydrophobicContact CD2-CE2 4.2Å; Y154-F236 HydrophobicContact CE1-CB 4.47Å; Y154-F236 AromaticContact CE1-CD2 3.83Å; Y154-F236 HydrophobicContact CE1-CD2 3.83Å; Y154-F236 HydrophobicContact CE1-CE2 4.37Å; Y154-F236 HydrophobicContact CE1-CG 4.23Å; Y154-F236 HydrophobicContact CG-CD2 4.12Å; Y154-F236 AromaticContact CG-CE2 3.81Å; Y154-F236 HydrophobicContact CG-CE2 3.81Å; Y154-F236 HydrophobicContact CG-CZ 4.3Å; L157-F236 HydrophobicContact CD2-CB 4.44Å; L157-F236 HydrophobicContact CD2-CD1 3.63Å; L157-F236 HydrophobicContact CD2-CE1 4.21Å; L157-F236 HydrophobicContact CD2-CG 4.24Å; L157-F236 HydrophobicContact CG-CD1 4.46Å; A158-F236 HydrophobicContact CB-CE1 4.29Å; A158-F236 HydrophobicContact CB-CZ 4.47Å; S202-F236 WeakPolarHBondContact OG-CD1 3.32Å; S202-F236 WeakPolarHBondContact OG-CE1 3.42Å; H232-F236 WeakPolarHBondContact O-CB 3.47Å; H232-F236 PolarHBondContact O-N 2.84Å; V234-F236 VanDerWaalsContact C-N 3.34Å; V234-F236 PolarHBondContact O-N 3.42Å; F236-L238 VanDerWaalsContact C-N 3.34Å; F236-L238 PolarHBondContact O-N 2.7Å; F236-A239 PolarHBondContact O-N 2.98Å; F236-C240 PolarHBondContact O-N 3.2Å; F236-C240 PolarHBondContact O-SG 3.4Å |
| 237 | A | 96.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 2% | 0.017 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | A199 I203 A233 V234 S235 C240 G241 | A199-A237 WeakPolarHBondContact CB-O 3.4Å; I203-A237 HydrophobicContact CD1-CB 4.2Å; I203-A237 HydrophobicContact CG1-CB 3.69Å; A233-A237 WeakPolarHBondContact O-CB 3.4Å; A233-A237 PolarHBondContact O-N 3.31Å; V234-A237 WeakPolarHBondContact O-CB 3.19Å; V234-A237 PolarHBondContact O-N 3.17Å; V234-A237 VanDerWaalsContact O-N 3.14Å; S235-A237 VanDerWaalsContact C-N 3.34Å; S235-A237 PolarHBondContact O-N 3.38Å; A237-C240 PolarHBondContact O-N 3.05Å; A237-G241 WeakPolarHBondContact O-CA 3.39Å; A237-G241 PolarHBondContact O-N 2.7Å |
| 238 | L | 96.9 | Very high | 95.6 | Very high | 98 Ų | 98 | 42.9 Ų | 42.9 | 51% | 0.513 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.4 | -42 | 175.4 | -69.3 | 173 | 0 | 0 | 0 | 111.7 | V234 S235 F236 C240 G241 I242 | V234-L238 HydrophobicContact CG1-CD1 4.29Å; V234-L238 WeakPolarHBondContact O-CG 3.43Å; V234-L238 PolarHBondContact O-N 3.45Å; S235-L238 PolarHBondContact O-N 3.01Å; F236-L238 VanDerWaalsContact C-N 3.34Å; F236-L238 PolarHBondContact O-N 2.7Å; L238-C240 VanDerWaalsContact C-N 3.25Å; L238-C240 PolarHBondContact O-N 2.83Å; L238-G241 PolarHBondContact O-N 3.36Å; L238-I242 HydrophobicContact CB-CD1 4.45Å; L238-I242 WeakPolarHBondContact O-CB 3.25Å; L238-I242 PolarHBondContact O-N 3.33Å |
| 239 | A | 97.1 | Very high | 95.9 | Very high | 65 Ų | 65 | 44.9 Ų | 44.9 | 54% | 0.537 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64 | -27.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | S235 F236 P243 | S235-A239 VanDerWaalsContact O-CB 3.3Å; S235-A239 WeakPolarHBondContact O-CB 3.35Å; S235-A239 PolarHBondContact O-N 2.89Å; F236-A239 PolarHBondContact O-N 2.98Å; A239-P243 WeakPolarHBondContact O-CD 3.46Å; A239-P243 WeakPolarHBondContact O-CG 3.3Å |
| 240 | C | 97.1 | Very high | 96.2 | Very high | 12 Ų | 12 | 49.9 Ų | 49.9 | 8% | 0.081 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -85.7 | -43.8 | 169.4 | -64.7 | 0 | 0 | 0 | 0 | 112.3 | L195 C198 A199 F236 A237 L238 G244 | L195-C240 WeakPolarHBondContact CB-O 3.46Å; L195-C240 HydrophobicContact CD2-CB 4.23Å; L195-C240 WeakPolarHBondContact O-CB 3.41Å; C198-C240 HydrophobicContact CB-CB 4.06Å; A199-C240 HydrophobicContact CB-CB 4.31Å; F236-C240 PolarHBondContact O-N 3.2Å; F236-C240 PolarHBondContact O-SG 3.4Å; A237-C240 PolarHBondContact O-N 3.05Å; L238-C240 VanDerWaalsContact C-N 3.25Å; L238-C240 PolarHBondContact O-N 2.83Å; C240-G244 PolarHBondContact O-N 2.88Å |
| 241 | G | 97.3 | Very high | 96.5 | Very high | 10 Ų | 10 | 50.6 Ų | 50.6 | 10% | 0.103 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.2 | -45.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A237 L238 G244 V245 | A237-G241 WeakPolarHBondContact O-CA 3.39Å; A237-G241 PolarHBondContact O-N 2.7Å; L238-G241 PolarHBondContact O-N 3.36Å; G241-G244 PolarHBondContact O-N 2.93Å; G241-V245 WeakPolarHBondContact O-CB 3.32Å; G241-V245 WeakPolarHBondContact O-CG2 3.45Å; G241-V245 PolarHBondContact O-N 2.94Å |
| 242 | I | 97.9 | Very high | 96.7 | Very high | 114 Ų | 114 | 46 Ų | 46 | 59% | 0.585 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.1 | -53.7 | -178.6 | -65.1 | 168 | 0 | 0 | 0 | 110.6 | L238 G244 A246 | L238-I242 HydrophobicContact CB-CD1 4.45Å; L238-I242 WeakPolarHBondContact O-CB 3.25Å; L238-I242 PolarHBondContact O-N 3.33Å; I242-G244 VanDerWaalsContact C-N 3.34Å; I242-G244 PolarHBondContact O-N 2.86Å; I242-A246 WeakPolarHBondContact O-CB 3.42Å; I242-A246 PolarHBondContact O-N 2.79Å |
| 243 | P | 97.9 | Very high | 96.8 | Very high | 58 Ų | 58 | 44.1 Ų | 44.1 | 38% | 0.377 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.5 | -37.3 | 176.5 | -23.4 | 36.9 | 0 | 0 | 0 | 112.8 | A239 A246 L247 | A239-P243 WeakPolarHBondContact O-CD 3.46Å; A239-P243 WeakPolarHBondContact O-CG 3.3Å; P243-A246 PolarHBondContact O-N 3.28Å; P243-L247 WeakPolarHBondContact O-CB 3.29Å; P243-L247 VanDerWaalsContact O-CG 3.27Å; P243-L247 WeakPolarHBondContact O-CG 3.48Å; P243-L247 PolarHBondContact O-N 2.95Å |
| 244 | G | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.5 | -49.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | C240 G241 I242 L248 | C240-G244 PolarHBondContact O-N 2.88Å; G241-G244 PolarHBondContact O-N 2.93Å; I242-G244 VanDerWaalsContact C-N 3.34Å; I242-G244 PolarHBondContact O-N 2.86Å; G244-L248 VanDerWaalsContact O-CG 3.32Å; G244-L248 WeakPolarHBondContact O-CG 3.35Å; G244-L248 PolarHBondContact O-N 3.34Å; G244-L248 VanDerWaalsContact O-N 3.13Å |
| 245 | V | 98 | Very high | 97.2 | Very high | 31 Ų | 31 | 48.8 Ų | 48.8 | 19% | 0.188 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.4 | -38.3 | 176.7 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | G241 L248 T249 A261 I264 | G241-V245 WeakPolarHBondContact O-CB 3.32Å; G241-V245 WeakPolarHBondContact O-CG2 3.45Å; G241-V245 PolarHBondContact O-N 2.94Å; V245-L248 PolarHBondContact O-N 2.96Å; V245-T249 WeakPolarHBondContact O-CB 3.35Å; V245-T249 PolarHBondContact O-N 3.45Å; V245-T249 PolarHBondContact O-OG1 3.26Å; V245-A261 HydrophobicContact CG1-CB 4.05Å; V245-A261 HydrophobicContact CG2-CB 4.26Å; V245-I264 HydrophobicContact CG2-CD1 3.85Å |
| 246 | A | 98 | Very high | 97.2 | Very high | 38 Ų | 38 | 45.8 Ų | 45.8 | 31% | 0.314 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | I242 P243 L248 T249 L250 | I242-A246 WeakPolarHBondContact O-CB 3.42Å; I242-A246 PolarHBondContact O-N 2.79Å; P243-A246 PolarHBondContact O-N 3.28Å; A246-L248 PolarHBondContact O-N 2.95Å; A246-T249 PolarHBondContact O-N 3.5Å; A246-L250 HydrophobicContact CB-CD1 4.5Å; A246-L250 VanDerWaalsContact O-CB 3.29Å; A246-L250 WeakPolarHBondContact O-CB 3.45Å; A246-L250 WeakPolarHBondContact O-CG 3.36Å; A246-L250 PolarHBondContact O-N 2.77Å |
| 247 | L | 97.5 | Very high | 97.3 | Very high | 56 Ų | 56 | 44.1 Ų | 44.1 | 29% | 0.293 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -59.3 | -47.7 | 174.3 | -76.2 | 170.9 | 0 | 0 | 0 | 111.1 | V188 L191 L195 P243 T249 A251 V252 | V188-L247 HydrophobicContact CG1-CB 4.44Å; V188-L247 HydrophobicContact CG1-CD2 4.37Å; L191-L247 HydrophobicContact CD2-CD1 4.27Å; L191-L247 HydrophobicContact CG-CD1 4.41Å; L195-L247 HydrophobicContact CD1-CD1 4.06Å; P243-L247 WeakPolarHBondContact O-CB 3.29Å; P243-L247 VanDerWaalsContact O-CG 3.27Å; P243-L247 WeakPolarHBondContact O-CG 3.48Å; P243-L247 PolarHBondContact O-N 2.95Å; L247-T249 VanDerWaalsContact C-N 3.31Å; L247-T249 PolarHBondContact O-N 3.48Å; L247-A251 WeakPolarHBondContact O-CA 3.41Å; L247-A251 VanDerWaalsContact O-CB 3.3Å; L247-A251 WeakPolarHBondContact O-CB 3.19Å; L247-A251 PolarHBondContact O-N 3.46Å; L247-V252 PolarHBondContact O-N 2.84Å |
| 248 | L | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | I | π-helix | trans | -63.1 | -37.6 | 178 | -67 | 175.3 | 0 | 0 | 0 | 112.4 | G244 V245 A246 V252 N253 T256 M295 | G244-L248 VanDerWaalsContact O-CG 3.32Å; G244-L248 WeakPolarHBondContact O-CG 3.35Å; G244-L248 PolarHBondContact O-N 3.34Å; G244-L248 VanDerWaalsContact O-N 3.13Å; V245-L248 PolarHBondContact O-N 2.96Å; A246-L248 PolarHBondContact O-N 2.95Å; L248-V252 HydrophobicContact CD2-CG2 4.35Å; L248-V252 WeakPolarHBondContact O-CB 3.41Å; L248-N253 CarbonylContact O-C 3.56Å; L248-N253 PolarHBondContact O-N 3.44Å; L248-T256 HydrophobicContact CB-CG2 4.4Å; L248-T256 HydrophobicContact CD2-CG2 3.9Å; L248-M295 HydrophobicContact CD1-CE 3.6Å |
| 249 | T | 97.6 | Very high | 97.4 | Very high | 45 Ų | 45 | 46.5 Ų | 46.5 | 28% | 0.276 | 28% | 0.278 | S | S | . | . | I | π-helix | trans | -78.7 | -47.5 | -176 | -51.4 | 0 | 0 | 0 | 0 | 112.2 | V245 A246 L247 N253 G257 | V245-T249 WeakPolarHBondContact O-CB 3.35Å; V245-T249 PolarHBondContact O-N 3.45Å; V245-T249 PolarHBondContact O-OG1 3.26Å; A246-T249 PolarHBondContact O-N 3.5Å; L247-T249 VanDerWaalsContact C-N 3.31Å; L247-T249 PolarHBondContact O-N 3.48Å; T249-N253 CarbonylContact O-C 3.47Å; T249-N253 VanDerWaalsContact O-C 3.32Å; T249-G257 VanDerWaalsContact OG1-CA 3.29Å; T249-G257 WeakPolarHBondContact OG1-CA 3.21Å |
| 250 | L | 97.3 | Very high | 97.4 | Very high | 151 Ų | 151 | 43.5 Ų | 43.5 | 79% | 0.791 | 25% | 0.252 | S | S | * | . | I | π-helix | trans | -92.5 | -36.8 | -169.1 | -58.1 | 177.8 | 0 | 0 | 0 | 112.7 | A246 | A246-L250 HydrophobicContact CB-CD1 4.5Å; A246-L250 VanDerWaalsContact O-CB 3.29Å; A246-L250 WeakPolarHBondContact O-CB 3.45Å; A246-L250 WeakPolarHBondContact O-CG 3.36Å; A246-L250 PolarHBondContact O-N 2.77Å |
| 251 | A | 95.9 | Very high | 97.5 | Very high | 56 Ų | 56 | 44.9 Ų | 44.9 | 46% | 0.463 | 27% | 0.265 | S | S | . | . | I | π-helix | trans | -98.8 | -21 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V188 L247 | V188-A251 HydrophobicContact CG1-CB 3.79Å; L247-A251 WeakPolarHBondContact O-CA 3.41Å; L247-A251 VanDerWaalsContact O-CB 3.3Å; L247-A251 WeakPolarHBondContact O-CB 3.19Å; L247-A251 PolarHBondContact O-N 3.46Å |
| 252 | V | 96.6 | Very high | 97.5 | Very high | 22 Ų | 22 | 48.3 Ų | 48.3 | 13% | 0.133 | 28% | 0.277 | C | S | . | . | I | π-helix | trans | -106 | -76.9 | 178.1 | -175.4 | 0 | 0 | 0 | 0 | 111 | L185 V188 L247 L248 T256 A299 | L185-V252 HydrophobicContact CD1-CB 4.07Å; L185-V252 HydrophobicContact CD1-CG1 3.84Å; L185-V252 HydrophobicContact CD1-CG2 4.09Å; L185-V252 HydrophobicContact CG-CG1 4.43Å; V188-V252 HydrophobicContact CB-CG2 4.4Å; V188-V252 HydrophobicContact CG1-CG2 3.79Å; L247-V252 PolarHBondContact O-N 2.84Å; L248-V252 HydrophobicContact CD2-CG2 4.35Å; L248-V252 WeakPolarHBondContact O-CB 3.41Å; V252-T256 HydrophobicContact CG1-CG2 4.47Å; V252-A299 HydrophobicContact CG1-CB 3.48Å; V252-A299 VanDerWaalsContact CG1-CB 3.48Å |
| 253 | N | 96.8 | Very high | 97.5 | Very high | 23 Ų | 23 | 44 Ų | 44 | 12% | 0.123 | 26% | 0.256 | C | S | . | . | trans | -171.2 | 155.5 | 168.3 | 54.8 | 71.6 | 0 | 0 | 0 | 111.4 | L248 T249 L255 T256 G257 C298 | L248-N253 CarbonylContact O-C 3.56Å; L248-N253 PolarHBondContact O-N 3.44Å; T249-N253 CarbonylContact O-C 3.47Å; T249-N253 VanDerWaalsContact O-C 3.32Å; N253-L255 PolarHBondContact O-N 2.93Å; N253-L255 VanDerWaalsContact O-N 3.17Å; N253-L255 PolarHBondContact OD1-N 3.14Å; N253-T256 VanDerWaalsContact CG-OG1 3.31Å; N253-T256 PolarHBondContact ND2-OG1 3.13Å; N253-T256 PolarHBondContact O-N 2.92Å; N253-T256 VanDerWaalsContact OD1-CB 3.3Å; N253-T256 WeakPolarHBondContact OD1-CB 3.49Å; N253-T256 PolarHBondContact OD1-N 2.94Å; N253-T256 PolarHBondContact OD1-OG1 3.34Å; N253-G257 PolarHBondContact O-N 3.33Å; N253-G257 VanDerWaalsContact O-N 3.1Å; N253-C298 PolarHBondContact ND2-O 3.41Å | ||
| 254 | P | 97.3 | Very high | 97.5 | Very high | 96 Ų | 96 | 42.5 Ų | 42.5 | 62% | 0.623 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -58.2 | -33.1 | -178.4 | -27.3 | 35.4 | 0 | 0 | 0 | 114.6 | G257 F258 | P254-G257 PolarHBondContact O-N 2.91Å; P254-F258 WeakPolarHBondContact O-CB 3.08Å; P254-F258 PolarHBondContact O-N 3.31Å |
| 255 | L | 97.4 | Very high | 97.4 | Very high | 49 Ų | 49 | 47.8 Ų | 47.8 | 26% | 0.257 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.4 | -47.1 | 179.1 | 173.6 | 63 | 0 | 0 | 0 | 111.7 | N253 G257 F258 L259 C298 G302 L304 | N253-L255 PolarHBondContact O-N 2.93Å; N253-L255 VanDerWaalsContact O-N 3.17Å; N253-L255 PolarHBondContact OD1-N 3.14Å; L255-G257 VanDerWaalsContact C-N 3.34Å; L255-F258 PolarHBondContact O-N 3.48Å; L255-L259 WeakPolarHBondContact O-CG 3.5Å; L255-L259 PolarHBondContact O-N 3.28Å; L255-C298 HydrophobicContact CD2-CB 4.15Å; L255-C298 HydrophobicContact CG-CB 4.4Å; L255-G302 WeakPolarHBondContact CD2-O 3.47Å; L255-L304 HydrophobicContact CD1-CD1 4.27Å; L255-L304 HydrophobicContact CD1-CG 4.46Å; L255-L304 HydrophobicContact CD2-CG 4.24Å |
| 256 | T | 97.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.2 | -39.6 | 177.8 | -54.8 | 0 | 0 | 0 | 0 | 110.9 | L248 V252 N253 L259 G260 M295 A299 | L248-T256 HydrophobicContact CB-CG2 4.4Å; L248-T256 HydrophobicContact CD2-CG2 3.9Å; V252-T256 HydrophobicContact CG1-CG2 4.47Å; N253-T256 VanDerWaalsContact CG-OG1 3.31Å; N253-T256 PolarHBondContact ND2-OG1 3.13Å; N253-T256 PolarHBondContact O-N 2.92Å; N253-T256 VanDerWaalsContact OD1-CB 3.3Å; N253-T256 WeakPolarHBondContact OD1-CB 3.49Å; N253-T256 PolarHBondContact OD1-N 2.94Å; N253-T256 PolarHBondContact OD1-OG1 3.34Å; T256-L259 PolarHBondContact O-N 3.42Å; T256-G260 PolarHBondContact O-N 3.49Å; T256-M295 HydrophobicContact CG2-CB 4.25Å; T256-M295 HydrophobicContact CG2-CE 4.34Å; T256-A299 HydrophobicContact CG2-CB 4.14Å; T256-A299 WeakPolarHBondContact OG1-CA 3.41Å; T256-A299 PolarHBondContact OG1-N 3.06Å |
| 257 | G | 97.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.2 | -48.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113 | T249 N253 P254 L255 G260 A261 | T249-G257 VanDerWaalsContact OG1-CA 3.29Å; T249-G257 WeakPolarHBondContact OG1-CA 3.21Å; N253-G257 PolarHBondContact O-N 3.33Å; N253-G257 VanDerWaalsContact O-N 3.1Å; P254-G257 PolarHBondContact O-N 2.91Å; L255-G257 VanDerWaalsContact C-N 3.34Å; G257-G260 PolarHBondContact O-N 3.44Å; G257-A261 PolarHBondContact O-N 3.27Å |
| 258 | F | 98 | Very high | 97.1 | Very high | 130 Ų | 130 | 44.7 Ų | 44.7 | 57% | 0.57 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -60 | -47.4 | 175.2 | 173.1 | -99.8 | 0 | 0 | 0 | 111.9 | P254 L255 G260 A261 F262 | P254-F258 WeakPolarHBondContact O-CB 3.08Å; P254-F258 PolarHBondContact O-N 3.31Å; L255-F258 PolarHBondContact O-N 3.48Å; F258-G260 VanDerWaalsContact C-N 3.3Å; F258-G260 PolarHBondContact O-N 3.21Å; F258-A261 PolarHBondContact O-N 3.12Å; F258-F262 WeakPolarHBondContact O-CB 3.44Å; F258-F262 PolarHBondContact O-N 2.8Å |
| 259 | L | 97.7 | Very high | 97 | Very high | 20 Ų | 20 | 47.8 Ų | 47.8 | 11% | 0.105 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.9 | -39.5 | 177.2 | -72.2 | 174.7 | 0 | 0 | 0 | 111.9 | L255 T256 N263 I291 V294 M295 C298 L304 | L255-L259 WeakPolarHBondContact O-CG 3.5Å; L255-L259 PolarHBondContact O-N 3.28Å; T256-L259 PolarHBondContact O-N 3.42Å; L259-N263 VanDerWaalsContact O-CB 3.25Å; L259-N263 WeakPolarHBondContact O-CB 3.2Å; L259-N263 PolarHBondContact O-N 3.3Å; L259-I291 HydrophobicContact CB-CG2 4.45Å; L259-V294 HydrophobicContact CD1-CG1 4.16Å; L259-M295 HydrophobicContact CB-CG 3.58Å; L259-M295 HydrophobicContact CB-SD 4.32Å; L259-M295 HydrophobicContact CD1-CG 4.16Å; L259-C298 HydrophobicContact CD1-CB 4.3Å; L259-L304 HydrophobicContact CD1-CD2 4.41Å |
| 260 | G | 97.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.5 | -49.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T256 G257 F258 N263 I264 M295 | T256-G260 PolarHBondContact O-N 3.49Å; G257-G260 PolarHBondContact O-N 3.44Å; F258-G260 VanDerWaalsContact C-N 3.3Å; F258-G260 PolarHBondContact O-N 3.21Å; G260-N263 PolarHBondContact O-N 2.9Å; G260-I264 WeakPolarHBondContact O-CG1 3.41Å; G260-I264 PolarHBondContact O-N 2.83Å; G260-M295 VanDerWaalsContact CA-CE 3.43Å |
| 261 | A | 98 | Very high | 96.7 | Very high | 42 Ų | 42 | 42 Ų | 42 | 35% | 0.347 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.5 | -44.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V245 G257 F258 N263 I264 F265 | V245-A261 HydrophobicContact CG1-CB 4.05Å; V245-A261 HydrophobicContact CG2-CB 4.26Å; G257-A261 PolarHBondContact O-N 3.27Å; F258-A261 PolarHBondContact O-N 3.12Å; A261-N263 VanDerWaalsContact C-N 3.3Å; A261-N263 PolarHBondContact O-N 3.32Å; A261-I264 PolarHBondContact O-N 3.44Å; A261-F265 PolarHBondContact O-N 3.36Å |
| 262 | F | 97.9 | Very high | 96.6 | Very high | 82 Ų | 82 | 39.7 Ų | 39.7 | 36% | 0.36 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.7 | -40.2 | 175.9 | -179.5 | -109.3 | 0 | 0 | 0 | 111.4 | F258 F265 L266 I291 | F258-F262 WeakPolarHBondContact O-CB 3.44Å; F258-F262 PolarHBondContact O-N 2.8Å; F262-F265 PolarHBondContact O-N 2.94Å; F262-L266 HydrophobicContact CE1-CD2 4.17Å; F262-L266 HydrophobicContact CZ-CD1 4.47Å; F262-L266 VanDerWaalsContact O-CB 3.26Å; F262-L266 WeakPolarHBondContact O-CB 3.29Å; F262-L266 PolarHBondContact O-N 3.06Å; F262-I291 HydrophobicContact CD1-CD1 4.22Å; F262-I291 HydrophobicContact CE1-CD1 4.3Å |
| 263 | N | 97.9 | Very high | 96.5 | Very high | 24 Ų | 24 | 41.1 Ų | 41.1 | 13% | 0.128 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.9 | -39.1 | 178.4 | -158.9 | 30.5 | 0 | 0 | 0 | 112.6 | L259 G260 A261 F265 L266 Y267 V288 I291 | L259-N263 VanDerWaalsContact O-CB 3.25Å; L259-N263 WeakPolarHBondContact O-CB 3.2Å; L259-N263 PolarHBondContact O-N 3.3Å; G260-N263 PolarHBondContact O-N 2.9Å; A261-N263 VanDerWaalsContact C-N 3.3Å; A261-N263 PolarHBondContact O-N 3.32Å; N263-F265 VanDerWaalsContact C-N 3.34Å; N263-L266 PolarHBondContact O-N 3.28Å; N263-Y267 VanDerWaalsContact O-CB 3.3Å; N263-Y267 WeakPolarHBondContact O-CB 3.47Å; N263-Y267 PolarHBondContact O-N 3.47Å; N263-V288 WeakPolarHBondContact OD1-CA 3.49Å; N263-V288 WeakPolarHBondContact OD1-CG1 3.32Å; N263-V288 PolarHBondContact OD1-O 3.36Å; N263-I291 HydrophobicContact CB-CD1 4.32Å; N263-I291 HydrophobicContact CB-CG2 3.94Å; N263-I291 WeakPolarHBondContact OD1-CD1 3.46Å |
| 264 | I | 97.6 | Very high | 96.3 | Very high | 26 Ų | 26 | 41.6 Ų | 41.6 | 13% | 0.133 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.8 | -48.3 | 172.2 | -66.2 | 167.5 | 0 | 0 | 0 | 109.8 | A196 A200 I203 V245 G260 A261 Y267 T268 | A196-I264 HydrophobicContact CB-CD1 3.93Å; A196-I264 HydrophobicContact CB-CG1 4.27Å; A200-I264 HydrophobicContact CB-CG1 4.36Å; I203-I264 HydrophobicContact CD1-CG2 4.45Å; V245-I264 HydrophobicContact CG2-CD1 3.85Å; G260-I264 WeakPolarHBondContact O-CG1 3.41Å; G260-I264 PolarHBondContact O-N 2.83Å; A261-I264 PolarHBondContact O-N 3.44Å; I264-Y267 PolarHBondContact O-N 3.04Å; I264-T268 HydrophobicContact CG2-CG2 4.49Å; I264-T268 WeakPolarHBondContact O-CB 3.45Å; I264-T268 VanDerWaalsContact O-CG2 3.3Å; I264-T268 WeakPolarHBondContact O-CG2 3.09Å; I264-T268 PolarHBondContact O-N 3.36Å; I264-T268 PolarHBondContact O-OG1 3.33Å |
| 265 | F | 97 | Very high | 96.1 | Very high | 111 Ų | 111 | 37.6 Ų | 37.6 | 49% | 0.487 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.2 | -49.3 | 178.4 | 173.6 | -96.9 | 0 | 0 | 0 | 111.7 | A261 F262 N263 Y267 T268 C269 | A261-F265 PolarHBondContact O-N 3.36Å; F262-F265 PolarHBondContact O-N 2.94Å; N263-F265 VanDerWaalsContact C-N 3.34Å; F265-Y267 VanDerWaalsContact C-N 3.32Å; F265-Y267 PolarHBondContact O-N 2.79Å; F265-T268 PolarHBondContact O-N 3.47Å; F265-C269 HydrophobicContact CD2-CB 3.79Å; F265-C269 HydrophobicContact CE2-CB 3.64Å; F265-C269 HydrophobicContact CG-CB 4.42Å; F265-C269 HydrophobicContact CZ-CB 4.14Å; F265-C269 WeakPolarHBondContact O-CA 3.45Å; F265-C269 VanDerWaalsContact O-CB 3.31Å; F265-C269 WeakPolarHBondContact O-CB 3.41Å; F265-C269 PolarHBondContact O-N 2.99Å |
| 266 | L | 96.4 | Very high | 95.8 | Very high | 20 Ų | 20 | 38.9 Ų | 38.9 | 11% | 0.105 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -61.4 | -40.7 | -179.3 | -172.1 | 68.9 | 0 | 0 | 0 | 111.5 | F262 N263 C270 Y271 V284 V287 V288 I291 | F262-L266 HydrophobicContact CE1-CD2 4.17Å; F262-L266 HydrophobicContact CZ-CD1 4.47Å; F262-L266 VanDerWaalsContact O-CB 3.26Å; F262-L266 WeakPolarHBondContact O-CB 3.29Å; F262-L266 PolarHBondContact O-N 3.06Å; N263-L266 PolarHBondContact O-N 3.28Å; L266-C270 HydrophobicContact CD1-CB 3.96Å; L266-C270 WeakPolarHBondContact O-CB 3.45Å; L266-C270 PolarHBondContact O-N 3.47Å; L266-Y271 WeakPolarHBondContact O-CB 3.44Å; L266-Y271 PolarHBondContact O-N 3.18Å; L266-V284 HydrophobicContact CD1-CG1 4.1Å; L266-V284 HydrophobicContact CG-CG1 4.37Å; L266-V287 HydrophobicContact CD2-CB 4.37Å; L266-V287 HydrophobicContact CD2-CG1 3.81Å; L266-V288 HydrophobicContact CB-CG2 4.08Å; L266-V288 HydrophobicContact CD2-CG2 3.58Å; L266-V288 HydrophobicContact CG-CG2 3.59Å; L266-I291 HydrophobicContact CD2-CD1 3.89Å |
| 267 | Y | 96.7 | Very high | 95.6 | Very high | 33 Ų | 33 | 44.1 Ų | 44.1 | 13% | 0.129 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -66.4 | -51.1 | 177.1 | -171 | -114.8 | 0 | 0 | 0 | 112 | A200 N204 N263 I264 F265 Y271 T272 V288 | A200-Y267 HydrophobicContact CB-CD1 3.78Å; A200-Y267 HydrophobicContact CB-CE1 4.43Å; N204-Y267 HydrophobicContact CB-CD1 4.15Å; N204-Y267 HydrophobicContact CB-CE1 3.49Å; N204-Y267 VanDerWaalsContact CB-CE1 3.49Å; N263-Y267 VanDerWaalsContact O-CB 3.3Å; N263-Y267 WeakPolarHBondContact O-CB 3.47Å; N263-Y267 PolarHBondContact O-N 3.47Å; I264-Y267 PolarHBondContact O-N 3.04Å; F265-Y267 VanDerWaalsContact C-N 3.32Å; F265-Y267 PolarHBondContact O-N 2.79Å; Y267-Y271 AromaticContact CD2-CD1 3.44Å; Y267-Y271 HydrophobicContact CD2-CD1 3.44Å; Y267-Y271 VanDerWaalsContact CD2-CD1 3.44Å; Y267-Y271 AromaticContact CD2-CE1 3.91Å; Y267-Y271 HydrophobicContact CD2-CE1 3.91Å; Y267-Y271 HydrophobicContact CD2-CG 4.43Å; Y267-Y271 AromaticContact CE2-CD1 3.54Å; Y267-Y271 HydrophobicContact CE2-CD1 3.54Å; Y267-Y271 AromaticContact CE2-CE1 3.49Å; Y267-Y271 HydrophobicContact CE2-CE1 3.49Å; Y267-Y271 VanDerWaalsContact CE2-CE1 3.49Å; Y267-Y271 HydrophobicContact CG-CD1 4.38Å; Y267-Y271 WeakPolarHBondContact O-CB 3.43Å; Y267-T272 PolarHBondContact O-N 3.25Å; Y267-T272 PolarHBondContact O-OG1 3.23Å; Y267-V288 HydrophobicContact CD2-CB 4.49Å; Y267-V288 HydrophobicContact CD2-CG1 3.63Å; Y267-V288 HydrophobicContact CE2-CG1 4.48Å; Y267-V288 HydrophobicContact CG-CG1 4.2Å |
| 268 | T | 94.1 | Very high | 95.5 | Very high | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.043 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -84.4 | -44.3 | -168.4 | 59.7 | 0 | 0 | 0 | 0 | 113.4 | A200 I203 I264 F265 T272 P273 | A200-T268 HydrophobicContact CB-CG2 4.43Å; I203-T268 HydrophobicContact CB-CG2 3.66Å; I203-T268 HydrophobicContact CD1-CG2 4.31Å; I203-T268 HydrophobicContact CG2-CG2 3.51Å; I264-T268 HydrophobicContact CG2-CG2 4.49Å; I264-T268 WeakPolarHBondContact O-CB 3.45Å; I264-T268 VanDerWaalsContact O-CG2 3.3Å; I264-T268 WeakPolarHBondContact O-CG2 3.09Å; I264-T268 PolarHBondContact O-N 3.36Å; I264-T268 PolarHBondContact O-OG1 3.33Å; F265-T268 PolarHBondContact O-N 3.47Å; T268-T272 WeakPolarHBondContact O-CB 3.39Å; T268-P273 WeakPolarHBondContact O-CD 3.42Å |
| 269 | C | 93.7 | Very high | 95.3 | Very high | 65 Ų | 65 | 41.2 Ų | 41.2 | 44% | 0.439 | 22% | 0.22 | S | C | . | . | I | π-helix | trans | -91.7 | -27.9 | -174.8 | -61.6 | 0 | 0 | 0 | 0 | 113.2 | F265 P273 | F265-C269 HydrophobicContact CD2-CB 3.79Å; F265-C269 HydrophobicContact CE2-CB 3.64Å; F265-C269 HydrophobicContact CG-CB 4.42Å; F265-C269 HydrophobicContact CZ-CB 4.14Å; F265-C269 WeakPolarHBondContact O-CA 3.45Å; F265-C269 VanDerWaalsContact O-CB 3.31Å; F265-C269 WeakPolarHBondContact O-CB 3.41Å; F265-C269 PolarHBondContact O-N 2.99Å; C269-P273 WeakPolarHBondContact O-CG 3.5Å |
| 270 | C | 94.6 | Very high | 95.2 | Very high | 47 Ų | 47 | 43.6 Ų | 43.6 | 32% | 0.318 | 24% | 0.235 | S | C | . | . | I | π-helix | trans | -103 | -61.5 | -179.7 | -54.8 | 0 | 0 | 0 | 0 | 111.7 | L266 P273 L274 | L266-C270 HydrophobicContact CD1-CB 3.96Å; L266-C270 WeakPolarHBondContact O-CB 3.45Å; L266-C270 PolarHBondContact O-N 3.47Å; C270-P273 WeakPolarHBondContact O-CD 3.31Å; C270-P273 WeakPolarHBondContact O-CG 3.5Å; C270-L274 WeakPolarHBondContact O-CB 3.32Å; C270-L274 PolarHBondContact O-N 3.34Å |
| 271 | Y | 95.6 | Very high | 95.1 | Very high | 27 Ų | 27 | 43.5 Ų | 43.5 | 11% | 0.106 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -66.3 | -50 | -172.6 | 166.1 | -112.8 | 0 | 0 | 0 | 113.1 | L266 Y267 L274 K275 N281 | L266-Y271 WeakPolarHBondContact O-CB 3.44Å; L266-Y271 PolarHBondContact O-N 3.18Å; Y267-Y271 AromaticContact CD2-CD1 3.44Å; Y267-Y271 HydrophobicContact CD2-CD1 3.44Å; Y267-Y271 VanDerWaalsContact CD2-CD1 3.44Å; Y267-Y271 AromaticContact CD2-CE1 3.91Å; Y267-Y271 HydrophobicContact CD2-CE1 3.91Å; Y267-Y271 HydrophobicContact CD2-CG 4.43Å; Y267-Y271 AromaticContact CE2-CD1 3.54Å; Y267-Y271 HydrophobicContact CE2-CD1 3.54Å; Y267-Y271 AromaticContact CE2-CE1 3.49Å; Y267-Y271 HydrophobicContact CE2-CE1 3.49Å; Y267-Y271 VanDerWaalsContact CE2-CE1 3.49Å; Y267-Y271 HydrophobicContact CG-CD1 4.38Å; Y267-Y271 WeakPolarHBondContact O-CB 3.43Å; Y271-L274 WeakPolarHBondContact O-CB 3.15Å; Y271-L274 PolarHBondContact O-N 2.86Å; Y271-L274 VanDerWaalsContact O-N 3.12Å; Y271-K275 HydrophobicContact CE2-CG 4.13Å; Y271-K275 PolarHBondContact O-N 3.11Å; Y271-K275 WeakPolarHBondContact OH-CE 3.25Å; Y271-N281 HydrophobicContact CD2-CB 4.41Å; Y271-N281 VanDerWaalsContact CD2-O 3.25Å; Y271-N281 WeakPolarHBondContact CD2-O 3.33Å; Y271-N281 HydrophobicContact CE2-CB 4.35Å; Y271-N281 VanDerWaalsContact CE2-O 3.24Å; Y271-N281 WeakPolarHBondContact CE2-O 3.31Å |
| 272 | T | 93.4 | Very high | 94.9 | Very high | 8 Ų | 8 | 42 Ų | 42 | 5% | 0.049 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -54.1 | -52.2 | -178.4 | -60 | 0 | 0 | 0 | 0 | 113.4 | N204 F207 E208 Y267 T268 L274 | N204-T272 WeakPolarHBondContact OD1-CG2 3.08Å; N204-T272 PolarHBondContact OD1-OG1 2.83Å; F207-T272 HydrophobicContact CB-CG2 3.97Å; E208-T272 HydrophobicContact CG-CG2 3.99Å; Y267-T272 PolarHBondContact O-N 3.25Å; Y267-T272 PolarHBondContact O-OG1 3.23Å; T268-T272 WeakPolarHBondContact O-CB 3.39Å; T272-L274 VanDerWaalsContact C-N 3.35Å; T272-L274 PolarHBondContact O-N 2.85Å |
| 273 | P | 93.2 | Very high | 94.8 | Very high | 52 Ų | 52 | 41.3 Ų | 41.3 | 34% | 0.338 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.8 | -33.8 | 176 | 23.9 | -31.5 | 0 | 0 | 0 | 112.6 | T268 C269 C270 K275 R276 | T268-P273 WeakPolarHBondContact O-CD 3.42Å; C269-P273 WeakPolarHBondContact O-CG 3.5Å; C270-P273 WeakPolarHBondContact O-CD 3.31Å; C270-P273 WeakPolarHBondContact O-CG 3.5Å; P273-K275 PolarHBondContact O-N 3.21Å; P273-K275 VanDerWaalsContact O-N 3.17Å; P273-R276 WeakPolarHBondContact O-CB 3.48Å; P273-R276 PolarHBondContact O-N 2.69Å |
| 274 | L | 93.8 | Very high | 94.8 | Very high | 32 Ų | 32 | 41.7 Ų | 41.7 | 17% | 0.168 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.6 | -27.9 | -178 | -168.9 | 61 | 0 | 0 | 0 | 113 | C270 Y271 T272 R276 L277 S278 V280 N281 V284 | C270-L274 WeakPolarHBondContact O-CB 3.32Å; C270-L274 PolarHBondContact O-N 3.34Å; Y271-L274 WeakPolarHBondContact O-CB 3.15Å; Y271-L274 PolarHBondContact O-N 2.86Å; Y271-L274 VanDerWaalsContact O-N 3.12Å; T272-L274 VanDerWaalsContact C-N 3.35Å; T272-L274 PolarHBondContact O-N 2.85Å; L274-R276 PolarHBondContact O-N 3.29Å; L274-L277 HydrophobicContact CD1-CB 4.21Å; L274-L277 PolarHBondContact O-N 3.39Å; L274-S278 PolarHBondContact O-N 2.95Å; L274-S278 VanDerWaalsContact O-O 3.07Å; L274-V280 HydrophobicContact CD2-CB 4.2Å; L274-V280 HydrophobicContact CD2-CG1 4.09Å; L274-N281 HydrophobicContact CB-CB 4.21Å; L274-N281 HydrophobicContact CD2-CB 4.44Å; L274-N281 HydrophobicContact CG-CB 4.01Å; L274-V284 HydrophobicContact CD2-CB 3.97Å; L274-V284 HydrophobicContact CD2-CG2 3.56Å |
| 275 | K | 93.3 | Very high | 94.7 | Very high | 13 Ų | 13 | 41 Ų | 41 | 6% | 0.057 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -52.9 | -24.4 | 172.4 | -64.5 | 173.6 | 178.8 | 158.9 | 0 | 113.4 | N204 E208 Y271 P273 N281 Y339 R340 M341 | N204-K275 PolarHBondContact OD1-NZ 2.89Å; E208-K275 IonicContact OE1-NZ 2.91Å; E208-K275 PolarHBondContact OE1-NZ 2.97Å; Y271-K275 HydrophobicContact CE2-CG 4.13Å; Y271-K275 PolarHBondContact O-N 3.11Å; Y271-K275 WeakPolarHBondContact OH-CE 3.25Å; P273-K275 PolarHBondContact O-N 3.21Å; P273-K275 VanDerWaalsContact O-N 3.17Å; K275-N281 HydrophobicContact CB-CB 4.48Å; K275-N281 HydrophobicContact CG-CB 4.2Å; K275-Y339 HydrophobicContact CB-CD1 3.63Å; K275-Y339 HydrophobicContact CB-CE1 3.78Å; K275-Y339 HydrophobicContact CD-CE1 4.05Å; K275-R340 PolarHBondContact O-N 3.27Å; K275-M341 HydrophobicContact CB-CE 4.07Å; K275-M341 HydrophobicContact CD-CE 4.18Å; K275-M341 HydrophobicContact CG-CE 3.99Å |
| 276 | R | 91.4 | Very high | 94.7 | Very high | 76 Ų | 76 | 35.9 Ų | 35.9 | 29% | 0.287 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -95.3 | -26.1 | 177.8 | -62.5 | -62.1 | -59 | -154.4 | -2 | 113.8 | F211 P273 L274 G337 G338 Y339 R340 | F211-R276 VanDerWaalsContact CD1-NH1 3.29Å; P273-R276 WeakPolarHBondContact O-CB 3.48Å; P273-R276 PolarHBondContact O-N 2.69Å; L274-R276 PolarHBondContact O-N 3.29Å; R276-G337 VanDerWaalsContact NH1-C 3.35Å; R276-G337 PolarHBondContact NH1-O 3.21Å; R276-G338 PolarHBondContact NE-O 3.26Å; R276-G338 PolarHBondContact NH1-O 3.46Å; R276-G338 VanDerWaalsContact NH1-O 3.15Å; R276-G338 PolarHBondContact NH2-O 3.35Å; R276-Y339 HydrophobicContact CG-CD1 4.49Å; R276-Y339 HydrophobicContact CG-CE1 4.49Å; R276-R340 WeakPolarHBondContact O-CD 3.41Å; R276-R340 WeakPolarHBondContact O-CG 3.25Å; R276-R340 PolarHBondContact O-NE 2.8Å |
| 277 | L | 92.4 | Very high | 94.7 | Very high | 110 Ų | 110 | 37.9 Ų | 37.9 | 58% | 0.576 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -92.1 | -45.3 | -169.4 | -61.5 | 174.1 | 0 | 0 | 0 | 111.5 | L274 R340 | L274-L277 HydrophobicContact CD1-CB 4.21Å; L274-L277 PolarHBondContact O-N 3.39Å; L277-R340 WeakPolarHBondContact O-CD 3.46Å; L277-R340 PolarHBondContact O-NH1 3.43Å |
| 278 | S | 94.6 | Very high | 94.8 | Very high | 40 Ų | 40 | 37 Ų | 37 | 28% | 0.28 | 21% | 0.207 | S | C | . | . | trans | -152.9 | 155.4 | -169.3 | -178.1 | 0 | 0 | 0 | 0 | 113 | L274 V280 N281 | L274-S278 PolarHBondContact O-N 2.95Å; L274-S278 VanDerWaalsContact O-O 3.07Å; S278-V280 PolarHBondContact O-N 3.43Å; S278-V280 WeakPolarHBondContact OG-CG2 3.45Å; S278-V280 PolarHBondContact OG-N 2.91Å; S278-N281 PolarHBondContact O-N 3.26Å; S278-N281 PolarHBondContact O-ND2 3.45Å | ||
| 279 | I | 95 | Very high | 94.8 | Very high | 30 Ų | 30 | 37.3 Ų | 37.3 | 15% | 0.154 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -20.6 | 169.5 | 62.2 | 171.4 | 0 | 0 | 0 | 112.6 | N281 T282 W283 T345 M349 | I279-N281 PolarHBondContact O-N 2.86Å; I279-T282 PolarHBondContact O-N 3.49Å; I279-T282 VanDerWaalsContact O-N 3.15Å; I279-W283 HydrophobicContact CB-CZ3 4.3Å; I279-W283 HydrophobicContact CD1-CH2 4.31Å; I279-W283 HydrophobicContact CD1-CZ3 4.3Å; I279-W283 HydrophobicContact CG1-CZ3 4.08Å; I279-W283 WeakPolarHBondContact O-CZ3 3.43Å; I279-T345 WeakPolarHBondContact CG2-OG1 3.49Å; I279-M349 HydrophobicContact CD1-CE 4.37Å; I279-M349 HydrophobicContact CD1-SD 3.84Å |
| 280 | V | 95.1 | Very high | 95 | Very high | 69 Ų | 69 | 34.9 Ų | 34.9 | 42% | 0.418 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -18.4 | 178.1 | -179.6 | 0 | 0 | 0 | 0 | 112.2 | L274 S278 T282 W283 V284 | L274-V280 HydrophobicContact CD2-CB 4.2Å; L274-V280 HydrophobicContact CD2-CG1 4.09Å; S278-V280 PolarHBondContact O-N 3.43Å; S278-V280 WeakPolarHBondContact OG-CG2 3.45Å; S278-V280 PolarHBondContact OG-N 2.91Å; V280-T282 PolarHBondContact O-N 2.95Å; V280-T282 VanDerWaalsContact O-N 3.09Å; V280-W283 PolarHBondContact O-N 3.42Å; V280-W283 VanDerWaalsContact O-N 3.1Å; V280-V284 HydrophobicContact CG1-CG2 4.03Å; V280-V284 PolarHBondContact O-N 3.29Å; V280-V284 VanDerWaalsContact O-N 3.1Å |
| 281 | N | 94.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -48.6 | -37 | 172.6 | 75.7 | 78.1 | 0 | 0 | 0 | 113.5 | Y271 L274 K275 S278 I279 G285 R340 M341 | Y271-N281 HydrophobicContact CD2-CB 4.41Å; Y271-N281 VanDerWaalsContact CD2-O 3.25Å; Y271-N281 WeakPolarHBondContact CD2-O 3.33Å; Y271-N281 HydrophobicContact CE2-CB 4.35Å; Y271-N281 VanDerWaalsContact CE2-O 3.24Å; Y271-N281 WeakPolarHBondContact CE2-O 3.31Å; L274-N281 HydrophobicContact CB-CB 4.21Å; L274-N281 HydrophobicContact CD2-CB 4.44Å; L274-N281 HydrophobicContact CG-CB 4.01Å; K275-N281 HydrophobicContact CB-CB 4.48Å; K275-N281 HydrophobicContact CG-CB 4.2Å; S278-N281 PolarHBondContact O-N 3.26Å; S278-N281 PolarHBondContact O-ND2 3.45Å; I279-N281 PolarHBondContact O-N 2.86Å; N281-G285 PolarHBondContact O-N 3.38Å; N281-R340 PolarHBondContact ND2-O 2.81Å; N281-M341 PolarHBondContact OD1-SD 3.23Å |
| 282 | T | 94.1 | Very high | 95.2 | Very high | 9 Ų | 9 | 32.3 Ų | 32.3 | 6% | 0.055 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.3 | -38.8 | -176.2 | -52 | 0 | 0 | 0 | 0 | 111.3 | I279 V280 A286 F320 F323 M342 | I279-T282 PolarHBondContact O-N 3.49Å; I279-T282 VanDerWaalsContact O-N 3.15Å; V280-T282 PolarHBondContact O-N 2.95Å; V280-T282 VanDerWaalsContact O-N 3.09Å; T282-A286 WeakPolarHBondContact O-CB 3.27Å; T282-A286 PolarHBondContact O-N 2.91Å; T282-F320 HydrophobicContact CG2-CD1 4.04Å; T282-F320 HydrophobicContact CG2-CE1 3.95Å; T282-F323 HydrophobicContact CG2-CD1 3.78Å; T282-F323 HydrophobicContact CG2-CE1 4.16Å; T282-M342 HydrophobicContact CG2-CE 4.44Å |
| 283 | W | 96.8 | Very high | 95.4 | Very high | 69 Ų | 69 | 32 Ų | 32 | 26% | 0.261 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -71.9 | -42.6 | 176.7 | -67.6 | -95.7 | 0 | 0 | 0 | 112 | I279 V280 G285 A286 V287 F320 M342 M349 V353 | I279-W283 HydrophobicContact CB-CZ3 4.3Å; I279-W283 HydrophobicContact CD1-CH2 4.31Å; I279-W283 HydrophobicContact CD1-CZ3 4.3Å; I279-W283 HydrophobicContact CG1-CZ3 4.08Å; I279-W283 WeakPolarHBondContact O-CZ3 3.43Å; V280-W283 PolarHBondContact O-N 3.42Å; V280-W283 VanDerWaalsContact O-N 3.1Å; W283-G285 VanDerWaalsContact C-N 3.33Å; W283-A286 WeakPolarHBondContact O-CB 3.49Å; W283-A286 PolarHBondContact O-N 3.25Å; W283-A286 VanDerWaalsContact O-N 3.15Å; W283-V287 PolarHBondContact O-N 2.87Å; W283-F320 AromaticContact CD1-CE1 3.98Å; W283-F320 AromaticContact CD1-CZ 3.67Å; W283-F320 HydrophobicContact CD2-CE1 4.46Å; W283-F320 HydrophobicContact CG-CE1 4.26Å; W283-F320 HydrophobicContact CG-CZ 4.17Å; W283-M342 HydrophobicContact CE3-CE 4.15Å; W283-M342 HydrophobicContact CH2-CE 3.17Å; W283-M342 HydrophobicContact CH2-SD 4.32Å; W283-M342 HydrophobicContact CZ2-CE 3.79Å; W283-M342 HydrophobicContact CZ3-CE 3.37Å; W283-M349 HydrophobicContact CH2-SD 3.86Å; W283-M349 HydrophobicContact CZ2-SD 4.48Å; W283-V353 HydrophobicContact CZ2-CG2 4.27Å |
| 284 | V | 97 | Very high | 95.6 | Very high | 31 Ų | 31 | 30.3 Ų | 30.3 | 19% | 0.188 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.7 | -40.2 | 176.5 | 178.1 | 0 | 0 | 0 | 0 | 110.7 | L266 L274 V280 A286 V287 V288 | L266-V284 HydrophobicContact CD1-CG1 4.1Å; L266-V284 HydrophobicContact CG-CG1 4.37Å; L274-V284 HydrophobicContact CD2-CB 3.97Å; L274-V284 HydrophobicContact CD2-CG2 3.56Å; V280-V284 HydrophobicContact CG1-CG2 4.03Å; V280-V284 PolarHBondContact O-N 3.29Å; V280-V284 VanDerWaalsContact O-N 3.1Å; V284-A286 VanDerWaalsContact C-N 3.25Å; V284-A286 PolarHBondContact O-N 2.8Å; V284-V287 WeakPolarHBondContact O-CB 3.21Å; V284-V287 PolarHBondContact O-N 2.84Å; V284-V288 PolarHBondContact O-N 2.95Å |
| 285 | G | 95.9 | Very high | 95.8 | Very high | 12 Ų | 12 | 29 Ų | 29 | 12% | 0.124 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.8 | -32.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | N281 W283 V288 G289 | N281-G285 PolarHBondContact O-N 3.38Å; W283-G285 VanDerWaalsContact C-N 3.33Å; G285-V288 PolarHBondContact O-N 3.07Å; G285-G289 PolarHBondContact O-N 3.12Å; G285-G289 VanDerWaalsContact O-N 3.11Å |
| 286 | A | 96.6 | Very high | 96 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.7 | -38.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T282 W283 V284 G289 A290 Y316 Q319 F320 | T282-A286 WeakPolarHBondContact O-CB 3.27Å; T282-A286 PolarHBondContact O-N 2.91Å; W283-A286 WeakPolarHBondContact O-CB 3.49Å; W283-A286 PolarHBondContact O-N 3.25Å; W283-A286 VanDerWaalsContact O-N 3.15Å; V284-A286 VanDerWaalsContact C-N 3.25Å; V284-A286 PolarHBondContact O-N 2.8Å; A286-G289 PolarHBondContact O-N 3.17Å; A286-A290 WeakPolarHBondContact O-CB 3.34Å; A286-A290 PolarHBondContact O-N 2.7Å; A286-Y316 HydrophobicContact CB-CD2 3.57Å; A286-Y316 HydrophobicContact CB-CE2 3.5Å; A286-Y316 HydrophobicContact CB-CG 4.34Å; A286-Q319 PolarHBondContact O-OE1 3.38Å; A286-F320 HydrophobicContact CB-CE2 3.84Å; A286-F320 HydrophobicContact CB-CZ 3.86Å |
| 287 | V | 97.7 | Very high | 96.3 | Very high | 62 Ų | 62 | 25.2 Ų | 25.2 | 38% | 0.376 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -61.3 | -45.6 | 172.3 | 176.7 | 0 | 0 | 0 | 0 | 110.9 | L266 W283 V284 G289 A290 I291 Y316 | L266-V287 HydrophobicContact CD2-CB 4.37Å; L266-V287 HydrophobicContact CD2-CG1 3.81Å; W283-V287 PolarHBondContact O-N 2.87Å; V284-V287 WeakPolarHBondContact O-CB 3.21Å; V284-V287 PolarHBondContact O-N 2.84Å; V287-G289 VanDerWaalsContact C-N 3.26Å; V287-G289 PolarHBondContact O-N 3.36Å; V287-A290 WeakPolarHBondContact O-CB 3.42Å; V287-A290 PolarHBondContact O-N 2.93Å; V287-I291 HydrophobicContact CG1-CD1 4.26Å; V287-I291 WeakPolarHBondContact O-CG1 3.03Å; V287-I291 PolarHBondContact O-N 3.36Å; V287-Y316 HydrophobicContact CG2-CD2 4.45Å; V287-Y316 HydrophobicContact CG2-CE2 3.91Å |
| 288 | V | 97.1 | Very high | 96.5 | Very high | 15 Ų | 15 | 20 Ų | 20 | 9% | 0.091 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.8 | -40.6 | 176.5 | 169.1 | 0 | 0 | 0 | 0 | 112.1 | N263 L266 Y267 V284 G285 P292 | N263-V288 WeakPolarHBondContact OD1-CA 3.49Å; N263-V288 WeakPolarHBondContact OD1-CG1 3.32Å; N263-V288 PolarHBondContact OD1-O 3.36Å; L266-V288 HydrophobicContact CB-CG2 4.08Å; L266-V288 HydrophobicContact CD2-CG2 3.58Å; L266-V288 HydrophobicContact CG-CG2 3.59Å; Y267-V288 HydrophobicContact CD2-CB 4.49Å; Y267-V288 HydrophobicContact CD2-CG1 3.63Å; Y267-V288 HydrophobicContact CE2-CG1 4.48Å; Y267-V288 HydrophobicContact CG-CG1 4.2Å; V284-V288 PolarHBondContact O-N 2.95Å; G285-V288 PolarHBondContact O-N 3.07Å; V288-P292 VanDerWaalsContact O-CD 3.26Å; V288-P292 WeakPolarHBondContact O-CD 3.48Å |
| 289 | G | 95.8 | Very high | 96.6 | Very high | 14 Ų | 14 | 18.2 Ų | 18.2 | 14% | 0.144 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -75.5 | -22 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | G285 A286 V287 P292 L315 | G285-G289 PolarHBondContact O-N 3.12Å; G285-G289 VanDerWaalsContact O-N 3.11Å; A286-G289 PolarHBondContact O-N 3.17Å; V287-G289 VanDerWaalsContact C-N 3.26Å; V287-G289 PolarHBondContact O-N 3.36Å; G289-P292 WeakPolarHBondContact O-CD 3.42Å; G289-L315 WeakPolarHBondContact O-CD2 3.39Å |
| 290 | A | 97.3 | Very high | 96.7 | Very high | 13 Ų | 13 | 17.7 Ų | 17.7 | 11% | 0.107 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -78.9 | -21.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A286 V287 P293 V294 G312 Y316 | A286-A290 WeakPolarHBondContact O-CB 3.34Å; A286-A290 PolarHBondContact O-N 2.7Å; V287-A290 WeakPolarHBondContact O-CB 3.42Å; V287-A290 PolarHBondContact O-N 2.93Å; A290-P293 WeakPolarHBondContact O-CD 3.4Å; A290-V294 WeakPolarHBondContact O-CG2 3.47Å; A290-G312 VanDerWaalsContact CB-O 3.27Å; A290-G312 WeakPolarHBondContact CB-O 3.45Å; A290-G312 WeakPolarHBondContact O-CA 3.27Å; A290-Y316 HydrophobicContact CB-CD2 4.42Å |
| 291 | I | 97.6 | Very high | 96.7 | Very high | 17 Ų | 17 | 16 Ų | 16 | 9% | 0.087 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68.2 | -41.5 | -176.4 | -70.3 | 163.6 | 0 | 0 | 0 | 113.6 | L259 F262 N263 L266 V287 V294 M295 | L259-I291 HydrophobicContact CB-CG2 4.45Å; F262-I291 HydrophobicContact CD1-CD1 4.22Å; F262-I291 HydrophobicContact CE1-CD1 4.3Å; N263-I291 HydrophobicContact CB-CD1 4.32Å; N263-I291 HydrophobicContact CB-CG2 3.94Å; N263-I291 WeakPolarHBondContact OD1-CD1 3.46Å; L266-I291 HydrophobicContact CD2-CD1 3.89Å; V287-I291 HydrophobicContact CG1-CD1 4.26Å; V287-I291 WeakPolarHBondContact O-CG1 3.03Å; V287-I291 PolarHBondContact O-N 3.36Å; I291-V294 CarbonylContact O-C 3.59Å; I291-V294 WeakPolarHBondContact O-CA 3.37Å; I291-V294 WeakPolarHBondContact O-CB 3.28Å; I291-V294 PolarHBondContact O-N 3.23Å; I291-M295 HydrophobicContact CG2-CG 3.69Å; I291-M295 HydrophobicContact CG2-SD 3.66Å; I291-M295 WeakPolarHBondContact O-CG 3.26Å; I291-M295 PolarHBondContact O-N 2.83Å |
| 292 | P | 97.1 | Very high | 96.6 | Very high | 4 Ų | 4 | 18 Ų | 18 | 3% | 0.026 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56.6 | -45.6 | -177.4 | -24 | 31.1 | 0 | 0 | 0 | 115.4 | V166 A170 V288 G289 V294 M295 G296 | V166-P292 HydrophobicContact CG1-CB 3.93Å; V166-P292 HydrophobicContact CG1-CG 3.76Å; A170-P292 VanDerWaalsContact CA-O 3.28Å; A170-P292 WeakPolarHBondContact CA-O 3.46Å; A170-P292 HydrophobicContact CB-CB 4.2Å; A170-P292 VanDerWaalsContact CB-O 3.27Å; A170-P292 WeakPolarHBondContact CB-O 3.4Å; V288-P292 VanDerWaalsContact O-CD 3.26Å; V288-P292 WeakPolarHBondContact O-CD 3.48Å; G289-P292 WeakPolarHBondContact O-CD 3.42Å; P292-V294 VanDerWaalsContact C-N 3.31Å; P292-V294 PolarHBondContact O-N 3.13Å; P292-M295 WeakPolarHBondContact O-CB 3.32Å; P292-M295 PolarHBondContact O-N 2.99Å; P292-G296 PolarHBondContact O-N 3.44Å |
| 293 | P | 96.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.013 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.6 | -39.5 | 171.5 | -19 | 25.8 | 0 | 0 | 0 | 113.5 | T169 G173 A290 G296 W297 L311 L315 | T169-P293 WeakPolarHBondContact O-CA 3.38Å; G173-P293 WeakPolarHBondContact CA-O 3.49Å; A290-P293 WeakPolarHBondContact O-CD 3.4Å; P293-G296 PolarHBondContact O-N 3.27Å; P293-W297 PolarHBondContact O-N 3.4Å; P293-L311 HydrophobicContact CB-CB 3.91Å; P293-L315 HydrophobicContact CG-CB 4.34Å; P293-L315 HydrophobicContact CG-CD1 3.59Å; P293-L315 HydrophobicContact CG-CD2 3.43Å; P293-L315 VanDerWaalsContact CG-CD2 3.43Å; P293-L315 HydrophobicContact CG-CG 3.95Å |
| 294 | V | 97.9 | Very high | 96.5 | Very high | 15 Ų | 15 | 20 Ų | 20 | 9% | 0.091 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 176.2 | 175.9 | 0 | 0 | 0 | 0 | 110 | L259 A290 I291 P292 G296 W297 C298 L304 A308 | L259-V294 HydrophobicContact CD1-CG1 4.16Å; A290-V294 WeakPolarHBondContact O-CG2 3.47Å; I291-V294 CarbonylContact O-C 3.59Å; I291-V294 WeakPolarHBondContact O-CA 3.37Å; I291-V294 WeakPolarHBondContact O-CB 3.28Å; I291-V294 PolarHBondContact O-N 3.23Å; P292-V294 VanDerWaalsContact C-N 3.31Å; P292-V294 PolarHBondContact O-N 3.13Å; V294-G296 VanDerWaalsContact C-N 3.31Å; V294-G296 PolarHBondContact O-N 3.5Å; V294-W297 PolarHBondContact O-N 2.99Å; V294-C298 WeakPolarHBondContact O-CB 3.34Å; V294-C298 PolarHBondContact O-N 3.47Å; V294-C298 PolarHBondContact O-SG 3.49Å; V294-L304 HydrophobicContact CG1-CD2 3.48Å; V294-L304 VanDerWaalsContact CG1-CD2 3.48Å; V294-A308 HydrophobicContact CB-CB 4.5Å; V294-A308 HydrophobicContact CG1-CB 4.09Å; V294-A308 HydrophobicContact CG2-CB 4.5Å; V294-A308 WeakPolarHBondContact CG2-O 3.3Å |
| 295 | M | 97.6 | Very high | 96.4 | Very high | 4 Ų | 4 | 20.9 Ų | 20.9 | 2% | 0.02 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.4 | -43.3 | 174.2 | -72.6 | 174.6 | 61.4 | 0 | 0 | 111.4 | L248 T256 L259 G260 I291 P292 C298 A299 | L248-M295 HydrophobicContact CD1-CE 3.6Å; T256-M295 HydrophobicContact CG2-CB 4.25Å; T256-M295 HydrophobicContact CG2-CE 4.34Å; L259-M295 HydrophobicContact CB-CG 3.58Å; L259-M295 HydrophobicContact CB-SD 4.32Å; L259-M295 HydrophobicContact CD1-CG 4.16Å; G260-M295 VanDerWaalsContact CA-CE 3.43Å; I291-M295 HydrophobicContact CG2-CG 3.69Å; I291-M295 HydrophobicContact CG2-SD 3.66Å; I291-M295 WeakPolarHBondContact O-CG 3.26Å; I291-M295 PolarHBondContact O-N 2.83Å; P292-M295 WeakPolarHBondContact O-CB 3.32Å; P292-M295 PolarHBondContact O-N 2.99Å; M295-C298 PolarHBondContact O-N 3.09Å; M295-A299 VanDerWaalsContact O-CB 3.28Å; M295-A299 WeakPolarHBondContact O-CB 3.42Å; M295-A299 PolarHBondContact O-N 2.83Å |
| 296 | G | 97.2 | Very high | 96.2 | Very high | 2 Ų | 2 | 24 Ų | 24 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60 | -45.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | A170 F174 P292 P293 V294 A299 A300 | A170-G296 VanDerWaalsContact O-CA 3.25Å; A170-G296 WeakPolarHBondContact O-CA 3.49Å; F174-G296 WeakPolarHBondContact CA-O 3.43Å; F174-G296 WeakPolarHBondContact CB-O 3.39Å; F174-G296 WeakPolarHBondContact CD2-O 3.22Å; F174-G296 VanDerWaalsContact N-C 3.34Å; F174-G296 PolarHBondContact N-O 3.44Å; P292-G296 PolarHBondContact O-N 3.44Å; P293-G296 PolarHBondContact O-N 3.27Å; V294-G296 VanDerWaalsContact C-N 3.31Å; V294-G296 PolarHBondContact O-N 3.5Å; G296-A299 WeakPolarHBondContact O-CB 3.32Å; G296-A299 PolarHBondContact O-N 2.83Å; G296-A300 PolarHBondContact O-N 3.21Å |
| 297 | W | 97.3 | Very high | 96 | Very high | 8 Ų | 8 | 24 Ų | 24 | 3% | 0.03 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.9 | -46.8 | 175.3 | -174.5 | -74.5 | 0 | 0 | 0 | 111.9 | M176 A177 P178 P293 V294 A299 A300 T301 D305 A308 L311 I373 | M176-W297 HydrophobicContact CB-CE3 4.22Å; M176-W297 HydrophobicContact CB-CZ3 4Å; M176-W297 WeakPolarHBondContact O-CZ3 3.45Å; A177-W297 HydrophobicContact CB-CD2 4.19Å; A177-W297 HydrophobicContact CB-CE3 4.25Å; P178-W297 VanDerWaalsContact CD-CH2 3.49Å; P178-W297 HydrophobicContact CG-CH2 4.38Å; P178-W297 HydrophobicContact CG-CZ2 4.06Å; P293-W297 PolarHBondContact O-N 3.4Å; V294-W297 PolarHBondContact O-N 2.99Å; W297-A299 PolarHBondContact O-N 3.42Å; W297-A300 PolarHBondContact O-N 3.22Å; W297-A300 VanDerWaalsContact O-N 3.16Å; W297-T301 VanDerWaalsContact CD1-OG1 3.28Å; W297-T301 PolarHBondContact O-N 2.99Å; W297-T301 PolarHBondContact O-OG1 3.09Å; W297-D305 HydrophobicContact CZ2-CB 4.25Å; W297-D305 PolarHBondContact NE1-OD2 3Å; W297-A308 HydrophobicContact CB-CB 3.77Å; W297-A308 HydrophobicContact CD2-CB 4.27Å; W297-A308 HydrophobicContact CG-CB 3.63Å; W297-L311 HydrophobicContact CE3-CD1 3.59Å; W297-L311 HydrophobicContact CZ3-CD1 4Å; W297-I373 HydrophobicContact CH2-CG1 4.45Å; W297-I373 HydrophobicContact CH2-CG2 4.29Å; W297-I373 HydrophobicContact CZ3-CG2 4.29Å |
| 298 | C | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.1 | -32 | 177.5 | -64.4 | 0 | 0 | 0 | 0 | 111.7 | N253 L255 L259 V294 M295 A300 G302 S303 L304 | N253-C298 PolarHBondContact ND2-O 3.41Å; L255-C298 HydrophobicContact CD2-CB 4.15Å; L255-C298 HydrophobicContact CG-CB 4.4Å; L259-C298 HydrophobicContact CD1-CB 4.3Å; V294-C298 WeakPolarHBondContact O-CB 3.34Å; V294-C298 PolarHBondContact O-N 3.47Å; V294-C298 PolarHBondContact O-SG 3.49Å; M295-C298 PolarHBondContact O-N 3.09Å; C298-A300 VanDerWaalsContact C-N 3.28Å; C298-A300 PolarHBondContact O-N 3.22Å; C298-G302 VanDerWaalsContact O-CA 3.28Å; C298-G302 WeakPolarHBondContact O-CA 3.44Å; C298-G302 PolarHBondContact O-N 2.84Å; C298-S303 PolarHBondContact SG-O 2.92Å; C298-S303 VanDerWaalsContact SG-O 3.36Å; C298-L304 WeakPolarHBondContact SG-CD2 3.37Å |
| 299 | A | 97.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 26.1 Ų | 26.1 | 3% | 0.025 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.5 | -36.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F174 L185 V252 T256 M295 G296 W297 | F174-A299 HydrophobicContact CD2-CB 3.83Å; F174-A299 HydrophobicContact CE2-CB 4.14Å; L185-A299 VanDerWaalsContact CD2-O 3.26Å; L185-A299 WeakPolarHBondContact CD2-O 3.3Å; V252-A299 HydrophobicContact CG1-CB 3.48Å; V252-A299 VanDerWaalsContact CG1-CB 3.48Å; T256-A299 HydrophobicContact CG2-CB 4.14Å; T256-A299 WeakPolarHBondContact OG1-CA 3.41Å; T256-A299 PolarHBondContact OG1-N 3.06Å; M295-A299 VanDerWaalsContact O-CB 3.28Å; M295-A299 WeakPolarHBondContact O-CB 3.42Å; M295-A299 PolarHBondContact O-N 2.83Å; G296-A299 WeakPolarHBondContact O-CB 3.32Å; G296-A299 PolarHBondContact O-N 2.83Å; W297-A299 PolarHBondContact O-N 3.42Å |
| 300 | A | 96.3 | Very high | 95.8 | Very high | 19 Ų | 19 | 25.6 Ų | 25.6 | 16% | 0.157 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -82.3 | -40.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F174 A177 V179 G296 W297 C298 | F174-A300 HydrophobicContact CD1-CB 4.23Å; F174-A300 HydrophobicContact CD2-CB 3.71Å; F174-A300 HydrophobicContact CE1-CB 4.2Å; F174-A300 HydrophobicContact CE2-CB 3.66Å; F174-A300 HydrophobicContact CG-CB 3.99Å; F174-A300 HydrophobicContact CZ-CB 3.91Å; A177-A300 HydrophobicContact CB-CB 3.52Å; V179-A300 HydrophobicContact CG2-CB 3.73Å; G296-A300 PolarHBondContact O-N 3.21Å; W297-A300 PolarHBondContact O-N 3.22Å; W297-A300 VanDerWaalsContact O-N 3.16Å; C298-A300 VanDerWaalsContact C-N 3.28Å; C298-A300 PolarHBondContact O-N 3.22Å |
| 301 | T | 94.9 | Very high | 95.7 | Very high | 35 Ų | 35 | 25.1 Ų | 25.1 | 22% | 0.215 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -97.7 | -26.8 | -170.7 | 54.7 | 0 | 0 | 0 | 0 | 114.5 | A177 V179 W297 S303 | A177-T301 HydrophobicContact CB-CG2 3.82Å; V179-T301 HydrophobicContact CG1-CG2 4.12Å; W297-T301 VanDerWaalsContact CD1-OG1 3.28Å; W297-T301 PolarHBondContact O-N 2.99Å; W297-T301 PolarHBondContact O-OG1 3.09Å; T301-S303 PolarHBondContact O-N 2.88Å; T301-S303 PolarHBondContact OG1-N 3.42Å; T301-S303 PolarHBondContact OG1-O 3.18Å |
| 302 | G | 94.4 | Very high | 95.7 | Very high | 41 Ų | 41 | 24.5 Ų | 24.5 | 42% | 0.423 | 15% | 0.149 | S | C | . | . | S | Bend | trans | 75.7 | 3.5 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L255 C298 | L255-G302 WeakPolarHBondContact CD2-O 3.47Å; C298-G302 VanDerWaalsContact O-CA 3.28Å; C298-G302 WeakPolarHBondContact O-CA 3.44Å; C298-G302 PolarHBondContact O-N 2.84Å |
| 303 | S | 94.2 | Very high | 95.7 | Very high | 43 Ų | 43 | 25 Ų | 25 | 30% | 0.301 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -135.3 | 161.2 | -175.3 | 56.9 | 0 | 0 | 0 | 0 | 113.7 | C298 T301 D305 | C298-S303 PolarHBondContact SG-O 2.92Å; C298-S303 VanDerWaalsContact SG-O 3.36Å; T301-S303 PolarHBondContact O-N 2.88Å; T301-S303 PolarHBondContact OG1-N 3.42Å; T301-S303 PolarHBondContact OG1-O 3.18Å; S303-D305 WeakPolarHBondContact CB-OD1 3.37Å; S303-D305 PolarHBondContact O-N 3.35Å; S303-D305 VanDerWaalsContact OG-CG 3.25Å; S303-D305 PolarHBondContact OG-OD1 3.41Å; S303-D305 PolarHBondContact OG-OD2 3.4Å |
| 304 | L | 94.6 | Very high | 95.7 | Very high | 78 Ų | 78 | 25 Ų | 25 | 41% | 0.408 | 16% | 0.155 | S | C | . | . | trans | -94.2 | 81.7 | 172.2 | -78.5 | 169 | 0 | 0 | 0 | 110.1 | L255 L259 V294 C298 F309 | L255-L304 HydrophobicContact CD1-CD1 4.27Å; L255-L304 HydrophobicContact CD1-CG 4.46Å; L255-L304 HydrophobicContact CD2-CG 4.24Å; L259-L304 HydrophobicContact CD1-CD2 4.41Å; V294-L304 HydrophobicContact CG1-CD2 3.48Å; V294-L304 VanDerWaalsContact CG1-CD2 3.48Å; C298-L304 WeakPolarHBondContact SG-CD2 3.37Å; L304-F309 HydrophobicContact CB-CE2 4.23Å; L304-F309 HydrophobicContact CB-CZ 4.14Å; L304-F309 HydrophobicContact CD2-CZ 4.19Å | ||
| 305 | D | 93.2 | Very high | 95.7 | Very high | 48 Ų | 48 | 24.7 Ų | 24.7 | 26% | 0.257 | 15% | 0.153 | S | C | . | . | trans | -85.5 | 161.4 | 179.4 | -50.3 | -40 | 0 | 0 | 0 | 111.9 | W297 S303 G307 A308 F309 | W297-D305 HydrophobicContact CZ2-CB 4.25Å; W297-D305 PolarHBondContact NE1-OD2 3Å; S303-D305 WeakPolarHBondContact CB-OD1 3.37Å; S303-D305 PolarHBondContact O-N 3.35Å; S303-D305 VanDerWaalsContact OG-CG 3.25Å; S303-D305 PolarHBondContact OG-OD1 3.41Å; S303-D305 PolarHBondContact OG-OD2 3.4Å; D305-G307 PolarHBondContact O-N 3.36Å; D305-A308 WeakPolarHBondContact O-CB 3.39Å; D305-A308 PolarHBondContact O-N 2.89Å; D305-F309 VanDerWaalsContact O-CD2 3.31Å; D305-F309 WeakPolarHBondContact O-CD2 3.29Å | ||
| 306 | P | 92.4 | Very high | 95.7 | Very high | 78 Ų | 78 | 27.5 Ų | 27.5 | 51% | 0.506 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -49.9 | -34.3 | 173.3 | -29 | 36.5 | 0 | 0 | 0 | 113.8 | A308 F309 V310 L371 | P306-A308 PolarHBondContact O-N 3.29Å; P306-F309 PolarHBondContact O-N 3.38Å; P306-V310 PolarHBondContact O-N 3.46Å; P306-V310 VanDerWaalsContact O-N 3.08Å; P306-L371 HydrophobicContact CB-CD1 3.87Å; P306-L371 HydrophobicContact CB-CD2 4.13Å; P306-L371 HydrophobicContact CB-CG 4.46Å |
| 307 | G | 92.4 | Very high | 95.7 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.2 | -36.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.8 | D305 F309 V310 L311 | D305-G307 PolarHBondContact O-N 3.36Å; G307-F309 VanDerWaalsContact C-N 3.31Å; G307-F309 PolarHBondContact O-N 2.88Å; G307-V310 PolarHBondContact O-N 3.45Å; G307-L311 WeakPolarHBondContact O-CG 3.41Å; G307-L311 PolarHBondContact O-N 3.41Å; G307-L311 VanDerWaalsContact O-N 3.16Å |
| 308 | A | 95 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.8 | -44.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | V294 W297 D305 P306 V310 L311 G312 | V294-A308 HydrophobicContact CB-CB 4.5Å; V294-A308 HydrophobicContact CG1-CB 4.09Å; V294-A308 HydrophobicContact CG2-CB 4.5Å; V294-A308 WeakPolarHBondContact CG2-O 3.3Å; W297-A308 HydrophobicContact CB-CB 3.77Å; W297-A308 HydrophobicContact CD2-CB 4.27Å; W297-A308 HydrophobicContact CG-CB 3.63Å; D305-A308 WeakPolarHBondContact O-CB 3.39Å; D305-A308 PolarHBondContact O-N 2.89Å; P306-A308 PolarHBondContact O-N 3.29Å; A308-V310 PolarHBondContact O-N 2.52Å; A308-L311 PolarHBondContact O-N 2.84Å; A308-G312 PolarHBondContact O-N 3.42Å |
| 309 | F | 96.2 | Very high | 95.7 | Very high | 121 Ų | 121 | 30.6 Ų | 30.6 | 53% | 0.531 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -68.3 | -32.7 | -180 | -62.8 | -69.1 | 0 | 0 | 0 | 113.3 | L304 D305 P306 G307 G313 | L304-F309 HydrophobicContact CB-CE2 4.23Å; L304-F309 HydrophobicContact CB-CZ 4.14Å; L304-F309 HydrophobicContact CD2-CZ 4.19Å; D305-F309 VanDerWaalsContact O-CD2 3.31Å; D305-F309 WeakPolarHBondContact O-CD2 3.29Å; P306-F309 PolarHBondContact O-N 3.38Å; G307-F309 VanDerWaalsContact C-N 3.31Å; G307-F309 PolarHBondContact O-N 2.88Å; F309-G313 WeakPolarHBondContact O-CA 3.1Å; F309-G313 PolarHBondContact O-N 3.25Å |
| 310 | V | 95.6 | Very high | 95.8 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.024 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64 | -46.2 | 173.2 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | P306 G307 A308 G313 F314 L367 A368 L371 I373 | P306-V310 PolarHBondContact O-N 3.46Å; P306-V310 VanDerWaalsContact O-N 3.08Å; G307-V310 PolarHBondContact O-N 3.45Å; A308-V310 PolarHBondContact O-N 2.52Å; V310-G313 CarbonylContact O-C 3.59Å; V310-G313 WeakPolarHBondContact O-CA 3.37Å; V310-G313 PolarHBondContact O-N 3.14Å; V310-G313 VanDerWaalsContact O-N 3.13Å; V310-F314 HydrophobicContact CG1-CE1 4.15Å; V310-F314 HydrophobicContact CG1-CE2 3.96Å; V310-F314 HydrophobicContact CG1-CZ 3.66Å; V310-F314 PolarHBondContact O-N 3.19Å; V310-L367 HydrophobicContact CG2-CD2 4.28Å; V310-L367 HydrophobicContact CG2-CG 4.33Å; V310-A368 HydrophobicContact CG1-CB 4.04Å; V310-L371 HydrophobicContact CG2-CD1 3.54Å; V310-I373 HydrophobicContact CB-CD1 3.96Å; V310-I373 HydrophobicContact CG1-CD1 4.31Å; V310-I373 HydrophobicContact CG2-CD1 3.75Å |
| 311 | L | 95.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67 | -41.7 | 178.9 | -63.5 | 175.8 | 0 | 0 | 0 | 112.1 | M176 P293 W297 G307 A308 G313 F314 L315 | M176-L311 HydrophobicContact CB-CD1 3.52Å; M176-L311 HydrophobicContact CB-CD2 4.43Å; M176-L311 HydrophobicContact CG-CD1 3.97Å; M176-L311 HydrophobicContact CG-CD2 4.04Å; P293-L311 HydrophobicContact CB-CB 3.91Å; W297-L311 HydrophobicContact CE3-CD1 3.59Å; W297-L311 HydrophobicContact CZ3-CD1 4Å; G307-L311 WeakPolarHBondContact O-CG 3.41Å; G307-L311 PolarHBondContact O-N 3.41Å; G307-L311 VanDerWaalsContact O-N 3.16Å; A308-L311 PolarHBondContact O-N 2.84Å; L311-G313 VanDerWaalsContact C-N 3.26Å; L311-G313 PolarHBondContact O-N 3.18Å; L311-F314 HydrophobicContact CD2-CD2 3.97Å; L311-F314 HydrophobicContact CD2-CE2 4.04Å; L311-F314 PolarHBondContact O-N 2.99Å; L311-L315 PolarHBondContact O-N 3.3Å |
| 312 | G | 97.1 | Very high | 95.9 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 4% | 0.041 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.3 | -40.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A290 A308 F314 L315 Y316 | A290-G312 VanDerWaalsContact CB-O 3.27Å; A290-G312 WeakPolarHBondContact CB-O 3.45Å; A290-G312 WeakPolarHBondContact O-CA 3.27Å; A308-G312 PolarHBondContact O-N 3.42Å; G312-F314 PolarHBondContact O-N 3.42Å; G312-L315 PolarHBondContact O-N 3.31Å; G312-Y316 VanDerWaalsContact O-CB 3.31Å; G312-Y316 WeakPolarHBondContact O-CB 3.49Å; G312-Y316 PolarHBondContact O-N 3.37Å |
| 313 | G | 97.4 | Very high | 96 | Very high | 16 Ų | 16 | 29.5 Ų | 29.5 | 17% | 0.165 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.3 | -39.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | F309 V310 L311 Y316 C317 L364 | F309-G313 WeakPolarHBondContact O-CA 3.1Å; F309-G313 PolarHBondContact O-N 3.25Å; V310-G313 CarbonylContact O-C 3.59Å; V310-G313 WeakPolarHBondContact O-CA 3.37Å; V310-G313 PolarHBondContact O-N 3.14Å; V310-G313 VanDerWaalsContact O-N 3.13Å; L311-G313 VanDerWaalsContact C-N 3.26Å; L311-G313 PolarHBondContact O-N 3.18Å; G313-Y316 PolarHBondContact O-N 3.03Å; G313-C317 WeakPolarHBondContact O-CB 3.39Å; G313-C317 PolarHBondContact O-N 3.14Å; G313-C317 PolarHBondContact O-SG 3.33Å; G313-L364 WeakPolarHBondContact O-CD2 3.15Å |
| 314 | F | 96.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.4 | -49.8 | 175.6 | -69.1 | -31.1 | 0 | 0 | 0 | 110.6 | V310 L311 G312 W318 L364 T365 A368 F378 L419 | V310-F314 HydrophobicContact CG1-CE1 4.15Å; V310-F314 HydrophobicContact CG1-CE2 3.96Å; V310-F314 HydrophobicContact CG1-CZ 3.66Å; V310-F314 PolarHBondContact O-N 3.19Å; L311-F314 HydrophobicContact CD2-CD2 3.97Å; L311-F314 HydrophobicContact CD2-CE2 4.04Å; L311-F314 PolarHBondContact O-N 2.99Å; G312-F314 PolarHBondContact O-N 3.42Å; F314-W318 WeakPolarHBondContact O-CB 3.29Å; F314-W318 PolarHBondContact O-N 3.4Å; F314-L364 HydrophobicContact CD1-CB 4.49Å; F314-L364 HydrophobicContact CD1-CD2 3.61Å; F314-L364 HydrophobicContact CD1-CG 3.76Å; F314-L364 HydrophobicContact CE1-CB 4.28Å; F314-L364 HydrophobicContact CE1-CD2 4.11Å; F314-L364 HydrophobicContact CE1-CG 3.71Å; F314-T365 HydrophobicContact CE1-CG2 3.98Å; F314-T365 HydrophobicContact CZ-CG2 4.39Å; F314-A368 HydrophobicContact CZ-CB 4.33Å; F314-F378 HydrophobicContact CE2-CE1 4.37Å; F314-F378 HydrophobicContact CE2-CZ 4.21Å; F314-F378 AromaticContact CZ-CE1 3.73Å; F314-F378 HydrophobicContact CZ-CE1 3.73Å; F314-F378 AromaticContact CZ-CZ 3.9Å; F314-F378 HydrophobicContact CZ-CZ 3.9Å; F314-L419 HydrophobicContact CB-CD2 4.34Å; F314-L419 HydrophobicContact CD1-CD2 4.18Å; F314-L419 HydrophobicContact CG-CD2 4.16Å |
| 315 | L | 96.9 | Very high | 96.2 | Very high | 9 Ų | 9 | 23.7 Ų | 23.7 | 5% | 0.047 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.7 | -45.3 | 177 | -93.3 | 73.6 | 0 | 0 | 0 | 111.7 | T169 G289 P293 L311 G312 C317 W318 Q319 L416 L420 | T169-L315 HydrophobicContact CG2-CD1 4.36Å; T169-L315 HydrophobicContact CG2-CD2 3.78Å; T169-L315 HydrophobicContact CG2-CG 4.46Å; G289-L315 WeakPolarHBondContact O-CD2 3.39Å; P293-L315 HydrophobicContact CG-CB 4.34Å; P293-L315 HydrophobicContact CG-CD1 3.59Å; P293-L315 HydrophobicContact CG-CD2 3.43Å; P293-L315 VanDerWaalsContact CG-CD2 3.43Å; P293-L315 HydrophobicContact CG-CG 3.95Å; L311-L315 PolarHBondContact O-N 3.3Å; G312-L315 PolarHBondContact O-N 3.31Å; L315-C317 PolarHBondContact O-N 2.93Å; L315-W318 PolarHBondContact O-N 3.47Å; L315-Q319 WeakPolarHBondContact O-CB 3.35Å; L315-Q319 WeakPolarHBondContact O-CG 3.44Å; L315-Q319 PolarHBondContact O-N 3.47Å; L315-Q319 PolarHBondContact O-OE1 2.89Å; L315-L416 HydrophobicContact CD1-CD1 3.81Å; L315-L416 HydrophobicContact CG-CD1 4.31Å; L315-L416 HydrophobicContact CG-CD2 4.44Å; L315-L420 HydrophobicContact CD1-CD1 4.48Å |
| 316 | Y | 98 | Very high | 96.3 | Very high | 63 Ų | 63 | 23.8 Ų | 23.8 | 25% | 0.247 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -53.9 | -51.9 | 178.7 | -175.9 | -95.7 | 0 | 0 | 0 | 111.5 | A286 V287 A290 G312 G313 F320 H357 | A286-Y316 HydrophobicContact CB-CD2 3.57Å; A286-Y316 HydrophobicContact CB-CE2 3.5Å; A286-Y316 HydrophobicContact CB-CG 4.34Å; V287-Y316 HydrophobicContact CG2-CD2 4.45Å; V287-Y316 HydrophobicContact CG2-CE2 3.91Å; A290-Y316 HydrophobicContact CB-CD2 4.42Å; G312-Y316 VanDerWaalsContact O-CB 3.31Å; G312-Y316 WeakPolarHBondContact O-CB 3.49Å; G312-Y316 PolarHBondContact O-N 3.37Å; G313-Y316 PolarHBondContact O-N 3.03Å; Y316-F320 AromaticContact CD1-CE2 3.99Å; Y316-F320 HydrophobicContact CD1-CE2 3.99Å; Y316-F320 AromaticContact CE1-CE2 3.61Å; Y316-F320 HydrophobicContact CE1-CE2 3.61Å; Y316-F320 HydrophobicContact CE1-CZ 4.19Å; Y316-F320 HydrophobicContact CE2-CE2 4.37Å; Y316-F320 AromaticContact CZ-CE2 3.81Å; Y316-F320 AromaticContact CZ-CZ 3.98Å; Y316-F320 WeakPolarHBondContact O-CD2 3.34Å; Y316-F320 VanDerWaalsContact O-CE2 3.32Å; Y316-F320 WeakPolarHBondContact O-CE2 3.32Å; Y316-H357 AromaticContact CE1-CE1 3.81Å |
| 317 | C | 97.9 | Very high | 96.4 | Very high | 14 Ų | 14 | 20.1 Ų | 20.1 | 10% | 0.095 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -69.6 | -43.9 | -179.7 | -68.9 | 0 | 0 | 0 | 0 | 111.6 | G313 L315 Q319 F320 P321 H357 L361 | G313-C317 WeakPolarHBondContact O-CB 3.39Å; G313-C317 PolarHBondContact O-N 3.14Å; G313-C317 PolarHBondContact O-SG 3.33Å; L315-C317 PolarHBondContact O-N 2.93Å; C317-Q319 VanDerWaalsContact C-N 3.25Å; C317-Q319 PolarHBondContact O-N 3.34Å; C317-F320 PolarHBondContact O-N 2.91Å; C317-P321 WeakPolarHBondContact O-CD 2.99Å; C317-H357 HydrophobicContact CB-CB 4.45Å; C317-H357 WeakPolarHBondContact O-CB 3.27Å; C317-L361 HydrophobicContact CB-CD2 3.83Å; C317-L361 HydrophobicContact CB-CG 4.16Å |
| 318 | W | 97.8 | Very high | 96.6 | Very high | 15 Ų | 15 | 20.9 Ų | 20.9 | 6% | 0.057 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.1 | -32.2 | -179.2 | 171.1 | 86.1 | 0 | 0 | 0 | 113.4 | F314 L315 F320 P321 H322 S412 H415 L416 | F314-W318 WeakPolarHBondContact O-CB 3.29Å; F314-W318 PolarHBondContact O-N 3.4Å; L315-W318 PolarHBondContact O-N 3.47Å; W318-F320 VanDerWaalsContact C-N 3.26Å; W318-F320 PolarHBondContact O-N 3.31Å; W318-P321 WeakPolarHBondContact O-CD 3.46Å; W318-P321 VanDerWaalsContact O-CG 3.28Å; W318-P321 WeakPolarHBondContact O-CG 3.45Å; W318-H322 HydrophobicContact CD2-CB 4.49Å; W318-H322 HydrophobicContact CH2-CB 4.12Å; W318-H322 AromaticContact CH2-CD2 3.94Å; W318-H322 AromaticContact CH2-CG 3.7Å; W318-H322 AromaticContact CH2-ND1 3.85Å; W318-H322 HydrophobicContact CZ2-CB 4.03Å; W318-H322 AromaticContact CZ2-CG 3.84Å; W318-H322 AromaticContact CZ2-ND1 3.74Å; W318-H322 HydrophobicContact CZ3-CB 4.38Å; W318-H322 PolarHBondContact O-N 3.38Å; W318-S412 VanDerWaalsContact CE2-O 3.24Å; W318-S412 WeakPolarHBondContact CZ2-O 3.4Å; W318-S412 PolarHBondContact NE1-O 3.48Å; W318-H415 AromaticContact CD1-ND1 3.39Å; W318-H415 AromaticContact NE1-ND1 3.93Å; W318-L416 HydrophobicContact CB-CD1 4.49Å; W318-L416 HydrophobicContact CD2-CB 3.85Å; W318-L416 HydrophobicContact CD2-CD1 4.29Å; W318-L416 HydrophobicContact CD2-CD2 3.93Å; W318-L416 HydrophobicContact CD2-CG 4.25Å; W318-L416 VanDerWaalsContact CE2-CB 3.5Å; W318-L416 HydrophobicContact CE3-CD2 3.76Å; W318-L416 HydrophobicContact CG-CB 4.07Å; W318-L416 HydrophobicContact CG-CD1 4.21Å; W318-L416 HydrophobicContact CH2-CD2 3.93Å; W318-L416 HydrophobicContact CZ2-CB 3.9Å; W318-L416 HydrophobicContact CZ2-CD2 4.09Å; W318-L416 HydrophobicContact CZ3-CD2 3.76Å |
| 319 | Q | 96.9 | Very high | 96.6 | Very high | 45 Ų | 45 | 23.3 Ų | 23.3 | 21% | 0.21 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.6 | -30 | -178.4 | -80.2 | 177.1 | -60.3 | 0 | 0 | 113.7 | A286 L315 C317 H322 F323 | A286-Q319 PolarHBondContact O-OE1 3.38Å; L315-Q319 WeakPolarHBondContact O-CB 3.35Å; L315-Q319 WeakPolarHBondContact O-CG 3.44Å; L315-Q319 PolarHBondContact O-N 3.47Å; L315-Q319 PolarHBondContact O-OE1 2.89Å; C317-Q319 VanDerWaalsContact C-N 3.25Å; C317-Q319 PolarHBondContact O-N 3.34Å; Q319-H322 PolarHBondContact O-N 3.29Å; Q319-F323 VanDerWaalsContact O-CB 3.25Å; Q319-F323 WeakPolarHBondContact O-CB 3.39Å; Q319-F323 PolarHBondContact O-N 2.91Å |
| 320 | F | 97.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 0% | 0.004 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.8 | -55.5 | -178.6 | -71.6 | -79.9 | 0 | 0 | 0 | 113.2 | T282 W283 A286 Y316 C317 W318 H322 N324 V353 H357 | T282-F320 HydrophobicContact CG2-CD1 4.04Å; T282-F320 HydrophobicContact CG2-CE1 3.95Å; W283-F320 AromaticContact CD1-CE1 3.98Å; W283-F320 AromaticContact CD1-CZ 3.67Å; W283-F320 HydrophobicContact CD2-CE1 4.46Å; W283-F320 HydrophobicContact CG-CE1 4.26Å; W283-F320 HydrophobicContact CG-CZ 4.17Å; A286-F320 HydrophobicContact CB-CE2 3.84Å; A286-F320 HydrophobicContact CB-CZ 3.86Å; Y316-F320 AromaticContact CD1-CE2 3.99Å; Y316-F320 HydrophobicContact CD1-CE2 3.99Å; Y316-F320 AromaticContact CE1-CE2 3.61Å; Y316-F320 HydrophobicContact CE1-CE2 3.61Å; Y316-F320 HydrophobicContact CE1-CZ 4.19Å; Y316-F320 HydrophobicContact CE2-CE2 4.37Å; Y316-F320 AromaticContact CZ-CE2 3.81Å; Y316-F320 AromaticContact CZ-CZ 3.98Å; Y316-F320 WeakPolarHBondContact O-CD2 3.34Å; Y316-F320 VanDerWaalsContact O-CE2 3.32Å; Y316-F320 WeakPolarHBondContact O-CE2 3.32Å; C317-F320 PolarHBondContact O-N 2.91Å; W318-F320 VanDerWaalsContact C-N 3.26Å; W318-F320 PolarHBondContact O-N 3.31Å; F320-H322 PolarHBondContact O-N 3.27Å; F320-N324 WeakPolarHBondContact O-CB 3.36Å; F320-N324 VanDerWaalsContact O-CG 3.25Å; F320-N324 PolarHBondContact O-N 3.39Å; F320-V353 HydrophobicContact CB-CG1 4.22Å; F320-V353 HydrophobicContact CD1-CG1 3.26Å; F320-V353 HydrophobicContact CE1-CG1 3.75Å; F320-V353 HydrophobicContact CG-CG1 3.89Å; F320-H357 HydrophobicContact CB-CB 3.69Å; F320-H357 HydrophobicContact CD2-CB 3.97Å; F320-H357 AromaticContact CD2-CD2 3.33Å; F320-H357 WeakPolarHBondContact CD2-CD2 3.38Å; F320-H357 AromaticContact CD2-CE1 3.56Å; F320-H357 AromaticContact CD2-CG 3.3Å; F320-H357 AromaticContact CD2-ND1 3.45Å; F320-H357 WeakPolarHBondContact CD2-ND1 3.45Å; F320-H357 AromaticContact CD2-NE2 3.53Å; F320-H357 AromaticContact CE2-CD2 3.8Å; F320-H357 AromaticContact CE2-CE1 3.41Å; F320-H357 VanDerWaalsContact CE2-CE1 3.41Å; F320-H357 WeakPolarHBondContact CE2-CE1 3.39Å; F320-H357 AromaticContact CE2-CG 3.99Å; F320-H357 AromaticContact CE2-ND1 3.76Å; F320-H357 AromaticContact CE2-NE2 3.45Å; F320-H357 WeakPolarHBondContact CE2-NE2 3.44Å; F320-H357 HydrophobicContact CG-CB 4.12Å; F320-H357 AromaticContact CG-CD2 3.43Å; F320-H357 VanDerWaalsContact CG-CD2 3.43Å; F320-H357 WeakPolarHBondContact CG-CD2 3.28Å; F320-H357 AromaticContact CG-CG 3.69Å; F320-H357 AromaticContact CG-NE2 3.94Å; F320-H357 AromaticContact CZ-NE2 3.8Å |
| 321 | P | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.9 | -34 | 174.5 | 23.6 | -32.7 | 0 | 0 | 0 | 112.4 | C317 W318 A325 S358 I389 L408 | C317-P321 WeakPolarHBondContact O-CD 2.99Å; W318-P321 WeakPolarHBondContact O-CD 3.46Å; W318-P321 VanDerWaalsContact O-CG 3.28Å; W318-P321 WeakPolarHBondContact O-CG 3.45Å; P321-A325 WeakPolarHBondContact O-CB 3.2Å; P321-A325 PolarHBondContact O-N 3.2Å; P321-S358 VanDerWaalsContact CB-OG 3.3Å; P321-S358 WeakPolarHBondContact CB-OG 3.29Å; P321-S358 WeakPolarHBondContact CG-OG 3.26Å; P321-I389 HydrophobicContact CB-CD1 4.47Å; P321-I389 HydrophobicContact CG-CD1 4.18Å; P321-L408 HydrophobicContact CB-CD1 4.03Å; P321-L408 HydrophobicContact CB-CD2 4.2Å; P321-L408 HydrophobicContact CB-CG 4.24Å |
| 322 | H | 96.8 | Very high | 96.1 | Very high | 37 Ų | 37 | 27.3 Ų | 27.3 | 17% | 0.171 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.8 | -58.7 | 176.2 | -179.1 | 74.3 | 0 | 0 | 0 | 112.7 | W318 Q319 F320 L326 F409 S412 | W318-H322 HydrophobicContact CD2-CB 4.49Å; W318-H322 HydrophobicContact CH2-CB 4.12Å; W318-H322 AromaticContact CH2-CD2 3.94Å; W318-H322 AromaticContact CH2-CG 3.7Å; W318-H322 AromaticContact CH2-ND1 3.85Å; W318-H322 HydrophobicContact CZ2-CB 4.03Å; W318-H322 AromaticContact CZ2-CG 3.84Å; W318-H322 AromaticContact CZ2-ND1 3.74Å; W318-H322 HydrophobicContact CZ3-CB 4.38Å; W318-H322 PolarHBondContact O-N 3.38Å; Q319-H322 PolarHBondContact O-N 3.29Å; F320-H322 PolarHBondContact O-N 3.27Å; H322-L326 WeakPolarHBondContact O-CB 3.28Å; H322-L326 PolarHBondContact O-N 2.96Å; H322-L326 VanDerWaalsContact O-N 3.08Å; H322-F409 AromaticContact CE1-CD2 3.76Å; H322-F409 AromaticContact CE1-CE2 3.24Å; H322-F409 WeakPolarHBondContact CE1-CE2 3.48Å; H322-F409 AromaticContact ND1-CD2 3.82Å; H322-F409 AromaticContact ND1-CE2 3.79Å; H322-F409 AromaticContact NE2-CE2 3.77Å; H322-S412 WeakPolarHBondContact CA-OG 3.23Å; H322-S412 WeakPolarHBondContact CB-OG 3.24Å; H322-S412 PolarHBondContact ND1-OG 2.8Å |
| 323 | F | 96 | Very high | 95.8 | Very high | 37 Ų | 37 | 28.1 Ų | 28.1 | 16% | 0.162 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -74.9 | -37.7 | -173.6 | -179.1 | -102.2 | 0 | 0 | 0 | 112.7 | T282 Q319 A325 L326 S327 M341 | T282-F323 HydrophobicContact CG2-CD1 3.78Å; T282-F323 HydrophobicContact CG2-CE1 4.16Å; Q319-F323 VanDerWaalsContact O-CB 3.25Å; Q319-F323 WeakPolarHBondContact O-CB 3.39Å; Q319-F323 PolarHBondContact O-N 2.91Å; F323-A325 VanDerWaalsContact C-N 3.33Å; F323-A325 PolarHBondContact O-N 3.16Å; F323-L326 PolarHBondContact O-N 3.08Å; F323-S327 VanDerWaalsContact O-CB 3.25Å; F323-S327 WeakPolarHBondContact O-CB 3.44Å; F323-S327 PolarHBondContact O-N 3.06Å; F323-S327 PolarHBondContact O-OG 3.3Å; F323-M341 HydrophobicContact CE1-SD 4.24Å; F323-M341 HydrophobicContact CZ-CE 4.2Å; F323-M341 HydrophobicContact CZ-SD 3.9Å |
| 324 | N | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.4 | -38.4 | 178.4 | -71.8 | 2.5 | 0 | 0 | 0 | 111.1 | F320 S327 W328 C350 A354 | F320-N324 WeakPolarHBondContact O-CB 3.36Å; F320-N324 VanDerWaalsContact O-CG 3.25Å; F320-N324 PolarHBondContact O-N 3.39Å; N324-S327 PolarHBondContact O-OG 3.45Å; N324-W328 WeakPolarHBondContact O-CB 3.3Å; N324-W328 PolarHBondContact O-N 3.08Å; N324-W328 VanDerWaalsContact O-N 3.12Å; N324-C350 WeakPolarHBondContact CB-SG 3.46Å; N324-C350 PolarHBondContact ND2-O 3.02Å; N324-A354 HydrophobicContact CB-CB 4.02Å |
| 325 | A | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.3 | -44.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P321 F323 W328 A405 L408 F409 | P321-A325 WeakPolarHBondContact O-CB 3.2Å; P321-A325 PolarHBondContact O-N 3.2Å; F323-A325 VanDerWaalsContact C-N 3.33Å; F323-A325 PolarHBondContact O-N 3.16Å; A325-W328 WeakPolarHBondContact O-CB 3.03Å; A325-W328 PolarHBondContact O-N 3.49Å; A325-A405 WeakPolarHBondContact CB-O 3.17Å; A325-L408 HydrophobicContact CB-CB 4.05Å; A325-L408 HydrophobicContact CB-CD2 4.03Å; A325-L408 HydrophobicContact CB-CG 4Å; A325-F409 HydrophobicContact CB-CB 3.95Å |
| 326 | L | 95.5 | Very high | 94.8 | Very high | 50 Ų | 50 | 37.8 Ų | 37.8 | 26% | 0.262 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -60.3 | -49.5 | 176 | 177.9 | 63 | 0 | 0 | 0 | 111.6 | H322 F323 W328 N329 L330 F409 | H322-L326 WeakPolarHBondContact O-CB 3.28Å; H322-L326 PolarHBondContact O-N 2.96Å; H322-L326 VanDerWaalsContact O-N 3.08Å; F323-L326 PolarHBondContact O-N 3.08Å; L326-W328 PolarHBondContact O-N 2.77Å; L326-N329 PolarHBondContact O-N 3.44Å; L326-L330 HydrophobicContact CD1-CD1 3.93Å; L326-L330 HydrophobicContact CG-CD1 4.05Å; L326-L330 PolarHBondContact O-N 3.33Å; L326-F409 HydrophobicContact CB-CD2 3.74Å; L326-F409 HydrophobicContact CB-CE2 3.91Å; L326-F409 HydrophobicContact CD1-CD2 4.23Å; L326-F409 HydrophobicContact CD1-CE2 3.83Å; L326-F409 HydrophobicContact CD1-CZ 4.06Å; L326-F409 HydrophobicContact CD2-CE2 4.16Å; L326-F409 HydrophobicContact CG-CD2 4.46Å; L326-F409 HydrophobicContact CG-CE2 4.17Å |
| 327 | S | 95 | Very high | 94.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.1 | -18.8 | -175.7 | 66.9 | 0 | 0 | 0 | 0 | 113.5 | F323 N324 L330 R331 S343 | F323-S327 VanDerWaalsContact O-CB 3.25Å; F323-S327 WeakPolarHBondContact O-CB 3.44Å; F323-S327 PolarHBondContact O-N 3.06Å; F323-S327 PolarHBondContact O-OG 3.3Å; N324-S327 PolarHBondContact O-OG 3.45Å; S327-L330 PolarHBondContact O-N 3.13Å; S327-R331 PolarHBondContact O-N 2.83Å; S327-R331 VanDerWaalsContact O-N 3.17Å; S327-S343 WeakPolarHBondContact O-CB 3.08Å; S327-S343 PolarHBondContact O-OG 3.23Å; S327-S343 PolarHBondContact OG-OG 3.47Å |
| 328 | W | 96.3 | Very high | 93.8 | Very high | 19 Ų | 19 | 35.7 Ų | 35.7 | 7% | 0.072 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.5 | -47.2 | 171.8 | -166.9 | -98 | 0 | 0 | 0 | 112 | N324 A325 L326 L330 R331 P347 C350 K351 F396 G400 A405 | N324-W328 WeakPolarHBondContact O-CB 3.3Å; N324-W328 PolarHBondContact O-N 3.08Å; N324-W328 VanDerWaalsContact O-N 3.12Å; A325-W328 WeakPolarHBondContact O-CB 3.03Å; A325-W328 PolarHBondContact O-N 3.49Å; L326-W328 PolarHBondContact O-N 2.77Å; W328-L330 VanDerWaalsContact C-N 3.28Å; W328-L330 PolarHBondContact O-N 3.42Å; W328-R331 WeakPolarHBondContact O-CD 3.43Å; W328-R331 WeakPolarHBondContact O-CG 3.41Å; W328-R331 PolarHBondContact O-N 3.31Å; W328-P347 HydrophobicContact CH2-CB 3.69Å; W328-P347 HydrophobicContact CZ3-CB 3.57Å; W328-C350 HydrophobicContact CZ3-CB 4.41Å; W328-K351 HydrophobicContact CH2-CD 3.97Å; W328-K351 HydrophobicContact CH2-CG 4.07Å; W328-K351 HydrophobicContact CZ2-CD 4.48Å; W328-K351 HydrophobicContact CZ3-CD 4.3Å; W328-K351 HydrophobicContact CZ3-CG 3.88Å; W328-F396 HydrophobicContact CB-CE2 4.17Å; W328-F396 HydrophobicContact CB-CZ 4.06Å; W328-F396 AromaticContact CD1-CE2 3.98Å; W328-F396 AromaticContact CD2-CE2 3.7Å; W328-F396 HydrophobicContact CD2-CE2 3.7Å; W328-F396 AromaticContact CD2-CZ 3.75Å; W328-F396 HydrophobicContact CD2-CZ 3.75Å; W328-F396 HydrophobicContact CE3-CE2 4.12Å; W328-F396 AromaticContact CE3-CZ 3.72Å; W328-F396 HydrophobicContact CE3-CZ 3.72Å; W328-F396 AromaticContact CG-CE2 3.7Å; W328-F396 HydrophobicContact CG-CE2 3.7Å; W328-F396 AromaticContact CG-CZ 3.91Å; W328-F396 HydrophobicContact CG-CZ 3.91Å; W328-F396 HydrophobicContact CZ3-CZ 4.39Å; W328-G400 VanDerWaalsContact CE2-O 3.24Å; W328-G400 WeakPolarHBondContact CZ2-O 3.34Å; W328-G400 PolarHBondContact NE1-O 2.95Å; W328-A405 HydrophobicContact CB-CB 3.95Å; W328-A405 HydrophobicContact CG-CB 4.05Å |
| 329 | N | 93.7 | Very high | 93.5 | Very high | 52 Ų | 52 | 35.4 Ų | 35.4 | 28% | 0.278 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -74.1 | -20.8 | 179.9 | -72.5 | -27.6 | 0 | 0 | 0 | 112.8 | L326 R402 | L326-N329 PolarHBondContact O-N 3.44Å; N329-R402 PolarHBondContact ND2-O 3.48Å; N329-R402 VanDerWaalsContact OD1-CA 3.23Å; N329-R402 WeakPolarHBondContact OD1-CA 3.47Å; N329-R402 WeakPolarHBondContact OD1-CB 3.13Å; N329-R402 WeakPolarHBondContact OD1-CG 3.36Å; N329-R402 PolarHBondContact OD1-O 2.85Å |
| 330 | L | 92.8 | Very high | 93.3 | Very high | 33 Ų | 33 | 39.9 Ų | 39.9 | 17% | 0.173 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 11.2 | 179.8 | -63.2 | 177.8 | 0 | 0 | 0 | 113.6 | L326 S327 W328 E332 D333 Y334 | L326-L330 HydrophobicContact CD1-CD1 3.93Å; L326-L330 HydrophobicContact CG-CD1 4.05Å; L326-L330 PolarHBondContact O-N 3.33Å; S327-L330 PolarHBondContact O-N 3.13Å; W328-L330 VanDerWaalsContact C-N 3.28Å; W328-L330 PolarHBondContact O-N 3.42Å; L330-E332 VanDerWaalsContact C-N 3.28Å; L330-E332 PolarHBondContact O-N 2.75Å; L330-D333 PolarHBondContact O-N 2.98Å; L330-D333 VanDerWaalsContact O-N 3.15Å; L330-Y334 HydrophobicContact CB-CD2 3.79Å; L330-Y334 HydrophobicContact CB-CE2 3.59Å; L330-Y334 HydrophobicContact CD1-CE2 4.27Å; L330-Y334 WeakPolarHBondContact O-CD2 3.31Å; L330-Y334 PolarHBondContact O-N 3.42Å |
| 331 | R | 92.4 | Very high | 93.1 | Very high | 91 Ų | 91 | 40 Ų | 40 | 34% | 0.343 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -56.2 | -39.4 | -174.5 | 69.9 | -171.5 | -178 | -160.8 | 2.7 | 113.6 | S327 W328 Y334 S335 V344 | S327-R331 PolarHBondContact O-N 2.83Å; S327-R331 VanDerWaalsContact O-N 3.17Å; W328-R331 WeakPolarHBondContact O-CD 3.43Å; W328-R331 WeakPolarHBondContact O-CG 3.41Å; W328-R331 PolarHBondContact O-N 3.31Å; R331-Y334 PolarHBondContact O-N 2.91Å; R331-S335 WeakPolarHBondContact O-CB 3.35Å; R331-S335 PolarHBondContact O-N 3.36Å; R331-V344 HydrophobicContact CB-CG2 4.18Å; R331-V344 WeakPolarHBondContact O-CG2 3.48Å |
| 332 | E | 91.2 | Very high | 92.9 | Very high | 87 Ų | 87 | 40 Ų | 40 | 41% | 0.407 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -67.4 | -41.7 | -179.5 | -74.3 | 156.6 | -142.3 | 0 | 0 | 110.8 | L330 S335 R336 R402 | L330-E332 VanDerWaalsContact C-N 3.28Å; L330-E332 PolarHBondContact O-N 2.75Å; E332-S335 PolarHBondContact O-N 3.26Å; E332-R336 WeakPolarHBondContact O-CG 3.36Å; E332-R336 PolarHBondContact O-N 2.99Å; E332-R402 IonicContact OE1-CZ 3.66Å; E332-R402 IonicContact OE1-NH2 2.65Å; E332-R402 PolarHBondContact OE1-NH2 2.86Å; E332-R402 IonicContact OE2-NH2 2.7Å; E332-R402 PolarHBondContact OE2-NH2 3.16Å |
| 333 | D | 90.8 | Very high | 92.8 | Very high | 20 Ų | 20 | 38.5 Ų | 38.5 | 11% | 0.107 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.7 | -39.9 | 175.6 | -75.3 | 1.9 | 0 | 0 | 0 | 111.6 | M215 L330 S335 R336 G337 | M215-D333 HydrophobicContact CE-CB 4.05Å; M215-D333 HydrophobicContact CG-CB 4.45Å; M215-D333 WeakPolarHBondContact CG-O 3.47Å; L330-D333 PolarHBondContact O-N 2.98Å; L330-D333 VanDerWaalsContact O-N 3.15Å; D333-S335 VanDerWaalsContact C-N 3.35Å; D333-R336 PolarHBondContact O-N 2.74Å; D333-R336 IonicContact OD1-CZ 2.89Å; D333-R336 IonicContact OD1-NE 3.43Å; D333-R336 IonicContact OD1-NH2 3.48Å; D333-R336 PolarHBondContact OD1-NH2 3.36Å; D333-G337 PolarHBondContact O-N 2.77Å |
| 334 | Y | 92 | Very high | 92.7 | Very high | 14 Ų | 14 | 39.1 Ų | 39.1 | 6% | 0.055 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.2 | -40.2 | 174.9 | -77.7 | -57.2 | 0 | 0 | 0 | 112.4 | M215 L330 R331 G337 G338 Y339 M341 | M215-Y334 HydrophobicContact CE-CD1 3.83Å; M215-Y334 HydrophobicContact CE-CE1 3.87Å; M215-Y334 HydrophobicContact CE-CG 4.46Å; L330-Y334 HydrophobicContact CB-CD2 3.79Å; L330-Y334 HydrophobicContact CB-CE2 3.59Å; L330-Y334 HydrophobicContact CD1-CE2 4.27Å; L330-Y334 WeakPolarHBondContact O-CD2 3.31Å; L330-Y334 PolarHBondContact O-N 3.42Å; R331-Y334 PolarHBondContact O-N 2.91Å; Y334-G337 PolarHBondContact O-N 2.97Å; Y334-G338 PolarHBondContact O-N 2.9Å; Y334-Y339 AromaticContact CD1-CD2 3.83Å; Y334-Y339 HydrophobicContact CD1-CD2 3.83Å; Y334-Y339 HydrophobicContact CD1-CG 4.02Å; Y334-Y339 PolarHBondContact O-N 3.32Å; Y334-M341 HydrophobicContact CD1-CE 4.06Å; Y334-M341 HydrophobicContact CD1-CG 3.81Å; Y334-M341 HydrophobicContact CD2-CG 4.1Å; Y334-M341 HydrophobicContact CE1-CE 3.74Å; Y334-M341 HydrophobicContact CE1-CG 4.19Å; Y334-M341 HydrophobicContact CE2-CG 4.46Å; Y334-M341 HydrophobicContact CG-CG 3.77Å |
| 335 | S | 91.1 | Very high | 92.5 | Very high | 72 Ų | 72 | 42.1 Ų | 42.1 | 50% | 0.503 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62 | -48.4 | 174.9 | -174.5 | 0 | 0 | 0 | 0 | 111.3 | R331 E332 D333 G337 G338 | R331-S335 WeakPolarHBondContact O-CB 3.35Å; R331-S335 PolarHBondContact O-N 3.36Å; E332-S335 PolarHBondContact O-N 3.26Å; D333-S335 VanDerWaalsContact C-N 3.35Å; S335-G337 VanDerWaalsContact C-N 3.32Å; S335-G337 PolarHBondContact O-N 3.37Å; S335-G338 WeakPolarHBondContact O-CA 3.44Å; S335-G338 PolarHBondContact O-N 3.16Å |
| 336 | R | 88.6 | Confident | 92.5 | Very high | 143 Ų | 143 | 46.3 Ų | 46.3 | 54% | 0.54 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.2 | -41.4 | 174.5 | -76.5 | -173.2 | -85.8 | -151 | -2.5 | 112.9 | E332 D333 G338 | E332-R336 WeakPolarHBondContact O-CG 3.36Å; E332-R336 PolarHBondContact O-N 2.99Å; D333-R336 PolarHBondContact O-N 2.74Å; D333-R336 IonicContact OD1-CZ 2.89Å; D333-R336 IonicContact OD1-NE 3.43Å; D333-R336 IonicContact OD1-NH2 3.48Å; D333-R336 PolarHBondContact OD1-NH2 3.36Å; R336-G338 PolarHBondContact O-N 3.35Å |
| 337 | G | 85.9 | Confident | 92.5 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.7 | -28.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R276 D333 Y334 S335 | R276-G337 VanDerWaalsContact NH1-C 3.35Å; R276-G337 PolarHBondContact NH1-O 3.21Å; D333-G337 PolarHBondContact O-N 2.77Å; Y334-G337 PolarHBondContact O-N 2.97Å; S335-G337 VanDerWaalsContact C-N 3.32Å; S335-G337 PolarHBondContact O-N 3.37Å |
| 338 | G | 88.4 | Confident | 92.5 | Very high | 29 Ų | 29 | 48.1 Ų | 48.1 | 30% | 0.299 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.1 | 17.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R276 Y334 S335 R336 | R276-G338 PolarHBondContact NE-O 3.26Å; R276-G338 PolarHBondContact NH1-O 3.46Å; R276-G338 VanDerWaalsContact NH1-O 3.15Å; R276-G338 PolarHBondContact NH2-O 3.35Å; Y334-G338 PolarHBondContact O-N 2.9Å; S335-G338 WeakPolarHBondContact O-CA 3.44Å; S335-G338 PolarHBondContact O-N 3.16Å; R336-G338 PolarHBondContact O-N 3.35Å |
| 339 | Y | 91.9 | Very high | 92.5 | Very high | 10 Ų | 10 | 49.9 Ų | 49.9 | 4% | 0.039 | 26% | 0.258 | C | S | . | . | trans | -78.1 | 139.1 | -178.5 | -73.4 | -76.3 | 0 | 0 | 0 | 112.3 | F211 M215 K275 R276 Y334 M341 | F211-Y339 HydrophobicContact CB-CE2 4.07Å; M215-Y339 HydrophobicContact SD-CD2 3.93Å; M215-Y339 HydrophobicContact SD-CE2 3.57Å; M215-Y339 VanDerWaalsContact SD-CE2 3.57Å; K275-Y339 HydrophobicContact CB-CD1 3.63Å; K275-Y339 HydrophobicContact CB-CE1 3.78Å; K275-Y339 HydrophobicContact CD-CE1 4.05Å; R276-Y339 HydrophobicContact CG-CD1 4.49Å; R276-Y339 HydrophobicContact CG-CE1 4.49Å; Y334-Y339 AromaticContact CD1-CD2 3.83Å; Y334-Y339 HydrophobicContact CD1-CD2 3.83Å; Y334-Y339 HydrophobicContact CD1-CG 4.02Å; Y334-Y339 PolarHBondContact O-N 3.32Å; Y339-M341 VanDerWaalsContact C-N 3.29Å; Y339-M341 HydrophobicContact CD1-CE 4.16Å; Y339-M341 HydrophobicContact CG-CE 4.34Å; Y339-M341 PolarHBondContact O-N 2.91Å | ||
| 340 | R | 92.2 | Very high | 92.7 | Very high | 139 Ų | 139 | 47.4 Ų | 47.4 | 53% | 0.525 | 25% | 0.245 | S | C | . | . | trans | -93.2 | 57.8 | 177.8 | -66.3 | -171.8 | 179.1 | 178 | -4.7 | 111.1 | K275 R276 L277 N281 T345 | K275-R340 PolarHBondContact O-N 3.27Å; R276-R340 WeakPolarHBondContact O-CD 3.41Å; R276-R340 WeakPolarHBondContact O-CG 3.25Å; R276-R340 PolarHBondContact O-NE 2.8Å; L277-R340 WeakPolarHBondContact O-CD 3.46Å; L277-R340 PolarHBondContact O-NH1 3.43Å; N281-R340 PolarHBondContact ND2-O 2.81Å; R340-T345 HydrophobicContact CB-CG2 4.48Å | ||
| 341 | M | 93.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | trans | -73.2 | 150.7 | 176.7 | -63.5 | -56.5 | 178.6 | 0 | 0 | 111.1 | K275 N281 F323 Y334 Y339 S343 V344 T345 | K275-M341 HydrophobicContact CB-CE 4.07Å; K275-M341 HydrophobicContact CD-CE 4.18Å; K275-M341 HydrophobicContact CG-CE 3.99Å; N281-M341 PolarHBondContact OD1-SD 3.23Å; F323-M341 HydrophobicContact CE1-SD 4.24Å; F323-M341 HydrophobicContact CZ-CE 4.2Å; F323-M341 HydrophobicContact CZ-SD 3.9Å; Y334-M341 HydrophobicContact CD1-CE 4.06Å; Y334-M341 HydrophobicContact CD1-CG 3.81Å; Y334-M341 HydrophobicContact CD2-CG 4.1Å; Y334-M341 HydrophobicContact CE1-CE 3.74Å; Y334-M341 HydrophobicContact CE1-CG 4.19Å; Y334-M341 HydrophobicContact CE2-CG 4.46Å; Y334-M341 HydrophobicContact CG-CG 3.77Å; Y339-M341 VanDerWaalsContact C-N 3.29Å; Y339-M341 HydrophobicContact CD1-CE 4.16Å; Y339-M341 HydrophobicContact CG-CE 4.34Å; Y339-M341 PolarHBondContact O-N 2.91Å; M341-S343 PolarHBondContact O-N 3.03Å; M341-V344 HydrophobicContact CB-CG2 4.24Å; M341-V344 PolarHBondContact O-N 3.27Å; M341-T345 PolarHBondContact O-N 3.24Å; M341-T345 PolarHBondContact O-OG1 3.29Å | ||
| 342 | M | 93.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.4 | -36.8 | 177.3 | -163.3 | -175.5 | -49.6 | 0 | 0 | 111.5 | T282 W283 V344 H346 M349 C350 V353 | T282-M342 HydrophobicContact CG2-CE 4.44Å; W283-M342 HydrophobicContact CE3-CE 4.15Å; W283-M342 HydrophobicContact CH2-CE 3.17Å; W283-M342 HydrophobicContact CH2-SD 4.32Å; W283-M342 HydrophobicContact CZ2-CE 3.79Å; W283-M342 HydrophobicContact CZ3-CE 3.37Å; M342-V344 PolarHBondContact O-N 2.89Å; M342-H346 HydrophobicContact CG-CB 4.19Å; M342-H346 CarbonylContact O-C 3.55Å; M342-H346 VanDerWaalsContact O-CA 3.3Å; M342-H346 WeakPolarHBondContact O-CA 3.24Å; M342-H346 PolarHBondContact O-N 2.95Å; M342-H346 VanDerWaalsContact O-O 3.05Å; M342-M349 HydrophobicContact CG-CB 4.11Å; M342-M349 HydrophobicContact CG-CG 4.35Å; M342-M349 HydrophobicContact SD-CB 3.91Å; M342-M349 HydrophobicContact SD-CG 3.67Å; M342-M349 HydrophobicContact SD-SD 4.14Å; M342-C350 HydrophobicContact CB-CB 4.3Å; M342-C350 HydrophobicContact CG-CB 3.95Å; M342-C350 WeakPolarHBondContact SD-CA 3.43Å; M342-C350 HydrophobicContact SD-CB 4.16Å; M342-C350 PolarHBondContact SD-N 3.48Å; M342-V353 HydrophobicContact CE-CG2 4.45Å; M342-V353 HydrophobicContact SD-CB 4.3Å; M342-V353 HydrophobicContact SD-CG2 4.06Å |
| 343 | S | 93.7 | Very high | 93.5 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 4% | 0.035 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.5 | -25.2 | 175.5 | 58.2 | 0 | 0 | 0 | 0 | 114.2 | S327 M341 | S327-S343 WeakPolarHBondContact O-CB 3.08Å; S327-S343 PolarHBondContact O-OG 3.23Å; S327-S343 PolarHBondContact OG-OG 3.47Å; M341-S343 PolarHBondContact O-N 3.03Å |
| 344 | V | 93.8 | Very high | 93.8 | Very high | 49 Ų | 49 | 44.2 Ų | 44.2 | 30% | 0.297 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -91.6 | -51.6 | -179.1 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | R331 M341 M342 | R331-V344 HydrophobicContact CB-CG2 4.18Å; R331-V344 WeakPolarHBondContact O-CG2 3.48Å; M341-V344 HydrophobicContact CB-CG2 4.24Å; M341-V344 PolarHBondContact O-N 3.27Å; M342-V344 PolarHBondContact O-N 2.89Å |
| 345 | T | 93.9 | Very high | 94.1 | Very high | 63 Ų | 63 | 44.9 Ų | 44.9 | 39% | 0.387 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -89.8 | -31.7 | -171.8 | 56.8 | 0 | 0 | 0 | 0 | 113.6 | I279 R340 M341 | I279-T345 WeakPolarHBondContact CG2-OG1 3.49Å; R340-T345 HydrophobicContact CB-CG2 4.48Å; M341-T345 PolarHBondContact O-N 3.24Å; M341-T345 PolarHBondContact O-OG1 3.29Å |
| 346 | H | 95.4 | Very high | 94.5 | Very high | 88 Ų | 88 | 49.6 Ų | 49.6 | 41% | 0.407 | 24% | 0.239 | S | C | . | . | trans | -138.5 | 61.6 | -173.3 | -64.4 | 81.7 | 0 | 0 | 0 | 111.5 | M342 G348 M349 C350 | M342-H346 HydrophobicContact CG-CB 4.19Å; M342-H346 CarbonylContact O-C 3.55Å; M342-H346 VanDerWaalsContact O-CA 3.3Å; M342-H346 WeakPolarHBondContact O-CA 3.24Å; M342-H346 PolarHBondContact O-N 2.95Å; M342-H346 VanDerWaalsContact O-O 3.05Å; H346-G348 VanDerWaalsContact C-N 3.28Å; H346-G348 PolarHBondContact O-N 2.94Å; H346-M349 HydrophobicContact CB-CB 3.91Å; H346-M349 WeakPolarHBondContact O-CA 3.34Å; H346-M349 WeakPolarHBondContact O-CB 3.48Å; H346-M349 PolarHBondContact O-N 3.47Å; H346-C350 PolarHBondContact O-N 2.83Å | ||
| 347 | P | 95.4 | Very high | 94.9 | Very high | 55 Ų | 55 | 44.3 Ų | 44.3 | 36% | 0.357 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.7 | -36.3 | -172.2 | 21.6 | -33.3 | 0 | 0 | 0 | 113.4 | W328 M349 C350 K351 | W328-P347 HydrophobicContact CH2-CB 3.69Å; W328-P347 HydrophobicContact CZ3-CB 3.57Å; P347-M349 VanDerWaalsContact C-N 3.32Å; P347-M349 PolarHBondContact O-N 2.78Å; P347-C350 VanDerWaalsContact O-CB 3.32Å; P347-C350 WeakPolarHBondContact O-CB 3.48Å; P347-C350 PolarHBondContact O-N 3.18Å; P347-K351 PolarHBondContact O-N 3.41Å |
| 348 | G | 96.2 | Very high | 95.5 | Very high | 33 Ų | 33 | 44.1 Ų | 44.1 | 34% | 0.34 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.1 | -32.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | H346 R352 | H346-G348 VanDerWaalsContact C-N 3.28Å; H346-G348 PolarHBondContact O-N 2.94Å; G348-R352 VanDerWaalsContact O-CG 3.29Å; G348-R352 WeakPolarHBondContact O-CG 3.46Å; G348-R352 PolarHBondContact O-N 3.29Å; G348-R352 PolarHBondContact O-NE 3.33Å; G348-R352 VanDerWaalsContact O-NE 3.15Å |
| 349 | M | 96.4 | Very high | 96 | Very high | 56 Ų | 56 | 46.9 Ų | 46.9 | 28% | 0.276 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -71.9 | -40.4 | 173.3 | -167.5 | -177.8 | -70.9 | 0 | 0 | 110.9 | I279 W283 M342 H346 P347 K351 R352 V353 | I279-M349 HydrophobicContact CD1-CE 4.37Å; I279-M349 HydrophobicContact CD1-SD 3.84Å; W283-M349 HydrophobicContact CH2-SD 3.86Å; W283-M349 HydrophobicContact CZ2-SD 4.48Å; M342-M349 HydrophobicContact CG-CB 4.11Å; M342-M349 HydrophobicContact CG-CG 4.35Å; M342-M349 HydrophobicContact SD-CB 3.91Å; M342-M349 HydrophobicContact SD-CG 3.67Å; M342-M349 HydrophobicContact SD-SD 4.14Å; H346-M349 HydrophobicContact CB-CB 3.91Å; H346-M349 WeakPolarHBondContact O-CA 3.34Å; H346-M349 WeakPolarHBondContact O-CB 3.48Å; H346-M349 PolarHBondContact O-N 3.47Å; P347-M349 VanDerWaalsContact C-N 3.32Å; P347-M349 PolarHBondContact O-N 2.78Å; M349-K351 VanDerWaalsContact C-N 3.31Å; M349-K351 PolarHBondContact O-N 3.21Å; M349-R352 PolarHBondContact O-N 3.34Å; M349-R352 VanDerWaalsContact O-N 3.15Å; M349-V353 HydrophobicContact CG-CG2 3.92Å; M349-V353 WeakPolarHBondContact O-CB 3.33Å; M349-V353 VanDerWaalsContact O-CG2 3.29Å; M349-V353 WeakPolarHBondContact O-CG2 3.49Å; M349-V353 PolarHBondContact O-N 2.98Å |
| 350 | C | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -52.4 | -49.5 | 177 | -174.8 | 0 | 0 | 0 | 0 | 111.8 | N324 W328 M342 H346 P347 A354 | N324-C350 WeakPolarHBondContact CB-SG 3.46Å; N324-C350 PolarHBondContact ND2-O 3.02Å; W328-C350 HydrophobicContact CZ3-CB 4.41Å; M342-C350 HydrophobicContact CB-CB 4.3Å; M342-C350 HydrophobicContact CG-CB 3.95Å; M342-C350 WeakPolarHBondContact SD-CA 3.43Å; M342-C350 HydrophobicContact SD-CB 4.16Å; M342-C350 PolarHBondContact SD-N 3.48Å; H346-C350 PolarHBondContact O-N 2.83Å; P347-C350 VanDerWaalsContact O-CB 3.32Å; P347-C350 WeakPolarHBondContact O-CB 3.48Å; P347-C350 PolarHBondContact O-N 3.18Å; C350-A354 WeakPolarHBondContact O-CB 3.45Å; C350-A354 PolarHBondContact O-N 2.75Å; C350-A354 VanDerWaalsContact O-N 3.13Å |
| 351 | K | 97.5 | Very high | 96.5 | Very high | 43 Ų | 43 | 41.3 Ų | 41.3 | 19% | 0.187 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.4 | -46 | 176.6 | -65.7 | -165.4 | -61.5 | 165.1 | 0 | 113 | W328 P347 M349 A354 L355 F396 Y397 | W328-K351 HydrophobicContact CH2-CD 3.97Å; W328-K351 HydrophobicContact CH2-CG 4.07Å; W328-K351 HydrophobicContact CZ2-CD 4.48Å; W328-K351 HydrophobicContact CZ3-CD 4.3Å; W328-K351 HydrophobicContact CZ3-CG 3.88Å; P347-K351 PolarHBondContact O-N 3.41Å; M349-K351 VanDerWaalsContact C-N 3.31Å; M349-K351 PolarHBondContact O-N 3.21Å; K351-A354 PolarHBondContact O-N 2.76Å; K351-L355 PolarHBondContact O-N 2.82Å; K351-L355 VanDerWaalsContact O-N 3.14Å; K351-F396 HydrophobicContact CB-CE1 4.36Å; K351-F396 WeakPolarHBondContact CD-O 3.21Å; K351-F396 HydrophobicContact CG-CD1 4.4Å; K351-F396 HydrophobicContact CG-CE1 3.89Å; K351-F396 HydrophobicContact CG-CE2 4.33Å; K351-F396 HydrophobicContact CG-CZ 3.85Å; K351-Y397 HydrophobicContact CB-CD2 3.92Å; K351-Y397 WeakPolarHBondContact CE-O 3.09Å; K351-Y397 PolarHBondContact NZ-O 2.81Å |
| 352 | R | 97.9 | Very high | 96.7 | Very high | 111 Ų | 111 | 43.2 Ų | 43.2 | 42% | 0.419 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.9 | -44.3 | -179.8 | -76.1 | -177.8 | -70.1 | 173.5 | 1.1 | 112.5 | G348 M349 L355 R356 Y397 | G348-R352 VanDerWaalsContact O-CG 3.29Å; G348-R352 WeakPolarHBondContact O-CG 3.46Å; G348-R352 PolarHBondContact O-N 3.29Å; G348-R352 PolarHBondContact O-NE 3.33Å; G348-R352 VanDerWaalsContact O-NE 3.15Å; M349-R352 PolarHBondContact O-N 3.34Å; M349-R352 VanDerWaalsContact O-N 3.15Å; R352-L355 PolarHBondContact O-N 3.45Å; R352-R356 WeakPolarHBondContact O-CB 3.42Å; R352-R356 VanDerWaalsContact O-CG 3.29Å; R352-R356 WeakPolarHBondContact O-CG 3.25Å; R352-R356 PolarHBondContact O-N 3.01Å; R352-Y397 HydrophobicContact CB-CE2 4.46Å; R352-Y397 HydrophobicContact CG-CD2 4.1Å; R352-Y397 HydrophobicContact CG-CE2 3.4Å |
| 353 | V | 97.9 | Very high | 96.8 | Very high | 11 Ų | 11 | 46.8 Ų | 46.8 | 7% | 0.067 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67 | -41.1 | -179.3 | 172.7 | 0 | 0 | 0 | 0 | 110.3 | W283 F320 M342 M349 L355 R356 H357 | W283-V353 HydrophobicContact CZ2-CG2 4.27Å; F320-V353 HydrophobicContact CB-CG1 4.22Å; F320-V353 HydrophobicContact CD1-CG1 3.26Å; F320-V353 HydrophobicContact CE1-CG1 3.75Å; F320-V353 HydrophobicContact CG-CG1 3.89Å; M342-V353 HydrophobicContact CE-CG2 4.45Å; M342-V353 HydrophobicContact SD-CB 4.3Å; M342-V353 HydrophobicContact SD-CG2 4.06Å; M349-V353 HydrophobicContact CG-CG2 3.92Å; M349-V353 WeakPolarHBondContact O-CB 3.33Å; M349-V353 VanDerWaalsContact O-CG2 3.29Å; M349-V353 WeakPolarHBondContact O-CG2 3.49Å; M349-V353 PolarHBondContact O-N 2.98Å; V353-L355 PolarHBondContact O-N 2.89Å; V353-R356 PolarHBondContact O-N 3.37Å; V353-H357 PolarHBondContact O-CD2 2.91Å; V353-H357 PolarHBondContact O-N 3.03Å |
| 354 | A | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.8 | -49.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N324 C350 K351 S358 F396 L408 | N324-A354 HydrophobicContact CB-CB 4.02Å; C350-A354 WeakPolarHBondContact O-CB 3.45Å; C350-A354 PolarHBondContact O-N 2.75Å; C350-A354 VanDerWaalsContact O-N 3.13Å; K351-A354 PolarHBondContact O-N 2.76Å; A354-S358 PolarHBondContact O-N 3.49Å; A354-S358 PolarHBondContact O-OG 2.88Å; A354-S358 VanDerWaalsContact O-OG 3.14Å; A354-F396 HydrophobicContact CB-CD1 4.17Å; A354-F396 HydrophobicContact CB-CE1 4.15Å; A354-L408 HydrophobicContact CB-CD2 4.47Å |
| 355 | L | 98.4 | Very high | 97 | Very high | 28 Ų | 28 | 45.6 Ų | 45.6 | 15% | 0.147 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.4 | -47.8 | 178.1 | 176.9 | 58.4 | 0 | 0 | 0 | 112.7 | K351 R352 V353 H357 S358 L359 A393 A394 Y397 | K351-L355 PolarHBondContact O-N 2.82Å; K351-L355 VanDerWaalsContact O-N 3.14Å; R352-L355 PolarHBondContact O-N 3.45Å; V353-L355 PolarHBondContact O-N 2.89Å; L355-H357 VanDerWaalsContact C-N 3.33Å; L355-H357 PolarHBondContact O-N 3.19Å; L355-S358 PolarHBondContact O-N 2.97Å; L355-L359 HydrophobicContact CD1-CD1 3.95Å; L355-L359 HydrophobicContact CD1-CG 4.12Å; L355-L359 HydrophobicContact CG-CD1 4.1Å; L355-L359 WeakPolarHBondContact O-CG 3.29Å; L355-L359 PolarHBondContact O-N 3.45Å; L355-A393 HydrophobicContact CD1-CB 4.16Å; L355-A394 HydrophobicContact CD1-CB 4.02Å; L355-Y397 HydrophobicContact CD2-CD1 3.88Å; L355-Y397 HydrophobicContact CD2-CD2 4.41Å; L355-Y397 HydrophobicContact CD2-CG 3.8Å |
| 356 | R | 98.3 | Very high | 97 | Very high | 171 Ų | 171 | 45.4 Ų | 45.4 | 65% | 0.645 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -57.7 | -45.5 | -179.3 | -77.3 | 174.9 | 179 | -173.5 | -2.7 | 111.9 | R352 V353 L359 A360 | R352-R356 WeakPolarHBondContact O-CB 3.42Å; R352-R356 VanDerWaalsContact O-CG 3.29Å; R352-R356 WeakPolarHBondContact O-CG 3.25Å; R352-R356 PolarHBondContact O-N 3.01Å; V353-R356 PolarHBondContact O-N 3.37Å; R356-L359 PolarHBondContact O-N 2.87Å; R356-A360 WeakPolarHBondContact O-CB 3.28Å; R356-A360 PolarHBondContact O-N 2.89Å |
| 357 | H | 98.3 | Very high | 96.9 | Very high | 32 Ų | 32 | 44.8 Ų | 44.8 | 15% | 0.148 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -75.8 | -30.1 | -179.2 | -79.3 | -79.1 | 0 | 0 | 0 | 113.4 | Y316 C317 F320 V353 L355 L359 A360 L361 | Y316-H357 AromaticContact CE1-CE1 3.81Å; C317-H357 HydrophobicContact CB-CB 4.45Å; C317-H357 WeakPolarHBondContact O-CB 3.27Å; F320-H357 HydrophobicContact CB-CB 3.69Å; F320-H357 HydrophobicContact CD2-CB 3.97Å; F320-H357 AromaticContact CD2-CD2 3.33Å; F320-H357 WeakPolarHBondContact CD2-CD2 3.38Å; F320-H357 AromaticContact CD2-CE1 3.56Å; F320-H357 AromaticContact CD2-CG 3.3Å; F320-H357 AromaticContact CD2-ND1 3.45Å; F320-H357 WeakPolarHBondContact CD2-ND1 3.45Å; F320-H357 AromaticContact CD2-NE2 3.53Å; F320-H357 AromaticContact CE2-CD2 3.8Å; F320-H357 AromaticContact CE2-CE1 3.41Å; F320-H357 VanDerWaalsContact CE2-CE1 3.41Å; F320-H357 WeakPolarHBondContact CE2-CE1 3.39Å; F320-H357 AromaticContact CE2-CG 3.99Å; F320-H357 AromaticContact CE2-ND1 3.76Å; F320-H357 AromaticContact CE2-NE2 3.45Å; F320-H357 WeakPolarHBondContact CE2-NE2 3.44Å; F320-H357 HydrophobicContact CG-CB 4.12Å; F320-H357 AromaticContact CG-CD2 3.43Å; F320-H357 VanDerWaalsContact CG-CD2 3.43Å; F320-H357 WeakPolarHBondContact CG-CD2 3.28Å; F320-H357 AromaticContact CG-CG 3.69Å; F320-H357 AromaticContact CG-NE2 3.94Å; F320-H357 AromaticContact CZ-NE2 3.8Å; V353-H357 PolarHBondContact O-CD2 2.91Å; V353-H357 PolarHBondContact O-N 3.03Å; L355-H357 VanDerWaalsContact C-N 3.33Å; L355-H357 PolarHBondContact O-N 3.19Å; H357-L359 VanDerWaalsContact C-N 3.34Å; H357-A360 PolarHBondContact O-N 3.14Å; H357-L361 PolarHBondContact O-N 3.16Å |
| 358 | S | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.9 | -44.2 | 168.5 | -68.6 | 0 | 0 | 0 | 0 | 111.8 | P321 A354 L355 L361 S390 A393 | P321-S358 VanDerWaalsContact CB-OG 3.3Å; P321-S358 WeakPolarHBondContact CB-OG 3.29Å; P321-S358 WeakPolarHBondContact CG-OG 3.26Å; A354-S358 PolarHBondContact O-N 3.49Å; A354-S358 PolarHBondContact O-OG 2.88Å; A354-S358 VanDerWaalsContact O-OG 3.14Å; L355-S358 PolarHBondContact O-N 2.97Å; S358-L361 WeakPolarHBondContact O-CB 3.21Å; S358-L361 PolarHBondContact O-N 3.25Å; S358-S390 PolarHBondContact O-OG 3.22Å; S358-A393 WeakPolarHBondContact OG-CB 3.47Å |
| 359 | L | 98.2 | Very high | 96.7 | Very high | 86 Ų | 86 | 40.8 Ų | 40.8 | 45% | 0.45 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.8 | -37 | 176 | -68.8 | 170.9 | 0 | 0 | 0 | 112 | L355 R356 H357 L361 I362 P363 | L355-L359 HydrophobicContact CD1-CD1 3.95Å; L355-L359 HydrophobicContact CD1-CG 4.12Å; L355-L359 HydrophobicContact CG-CD1 4.1Å; L355-L359 WeakPolarHBondContact O-CG 3.29Å; L355-L359 PolarHBondContact O-N 3.45Å; R356-L359 PolarHBondContact O-N 2.87Å; H357-L359 VanDerWaalsContact C-N 3.34Å; L359-L361 PolarHBondContact O-N 2.87Å; L359-I362 PolarHBondContact O-N 3.4Å; L359-I362 VanDerWaalsContact O-N 3.14Å; L359-P363 WeakPolarHBondContact O-CD 3.33Å |
| 360 | A | 97.6 | Very high | 96.6 | Very high | 33 Ų | 33 | 41 Ų | 41 | 27% | 0.273 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.3 | -21.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R356 H357 I362 P363 L364 | R356-A360 WeakPolarHBondContact O-CB 3.28Å; R356-A360 PolarHBondContact O-N 2.89Å; H357-A360 PolarHBondContact O-N 3.14Å; A360-I362 PolarHBondContact O-N 3.22Å; A360-P363 VanDerWaalsContact O-CD 3.3Å; A360-P363 WeakPolarHBondContact O-CD 3.45Å; A360-P363 WeakPolarHBondContact O-CG 3.36Å; A360-L364 VanDerWaalsContact O-CB 3.24Å; A360-L364 WeakPolarHBondContact O-CB 3.44Å; A360-L364 PolarHBondContact O-N 2.74Å |
| 361 | L | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.6 | -31.8 | 174.1 | -72.2 | 165.4 | 0 | 0 | 0 | 112.3 | C317 H357 S358 L359 L364 T365 I389 L419 | C317-L361 HydrophobicContact CB-CD2 3.83Å; C317-L361 HydrophobicContact CB-CG 4.16Å; H357-L361 PolarHBondContact O-N 3.16Å; S358-L361 WeakPolarHBondContact O-CB 3.21Å; S358-L361 PolarHBondContact O-N 3.25Å; L359-L361 PolarHBondContact O-N 2.87Å; L361-L364 PolarHBondContact O-N 3.44Å; L361-T365 WeakPolarHBondContact O-CG2 3.3Å; L361-T365 PolarHBondContact O-N 2.88Å; L361-I389 HydrophobicContact CD1-CG2 4.37Å; L361-L419 HydrophobicContact CD2-CD2 4.32Å |
| 362 | I | 97.1 | Very high | 95.9 | Very high | 42 Ų | 42 | 47.3 Ų | 47.3 | 22% | 0.215 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.2 | -57 | -179.3 | -59.7 | 167 | 0 | 0 | 0 | 112 | L359 A360 L364 T365 T366 L383 N386 L387 | L359-I362 PolarHBondContact O-N 3.4Å; L359-I362 VanDerWaalsContact O-N 3.14Å; A360-I362 PolarHBondContact O-N 3.22Å; I362-L364 PolarHBondContact O-N 3.28Å; I362-T365 PolarHBondContact O-N 3.38Å; I362-T365 PolarHBondContact O-OG1 2.83Å; I362-T366 PolarHBondContact O-N 3.3Å; I362-L383 HydrophobicContact CG2-CD1 4.17Å; I362-N386 HydrophobicContact CG1-CB 3.83Å; I362-L387 HydrophobicContact CD1-CD2 4.01Å |
| 363 | P | 96.3 | Very high | 95.5 | Very high | 76 Ų | 76 | 42.7 Ų | 42.7 | 49% | 0.494 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.8 | -28.6 | 175.7 | 25.9 | -33.9 | 0 | 0 | 0 | 111.8 | L359 A360 T365 T366 L367 | L359-P363 WeakPolarHBondContact O-CD 3.33Å; A360-P363 VanDerWaalsContact O-CD 3.3Å; A360-P363 WeakPolarHBondContact O-CD 3.45Å; A360-P363 WeakPolarHBondContact O-CG 3.36Å; P363-T365 PolarHBondContact O-N 3.03Å; P363-T366 WeakPolarHBondContact CA-OG1 3.5Å; P363-T366 PolarHBondContact O-N 2.8Å; P363-T366 PolarHBondContact O-OG1 3.42Å; P363-L367 PolarHBondContact O-N 3.32Å |
| 364 | L | 95.2 | Very high | 95.3 | Very high | 27 Ų | 27 | 42.4 Ų | 42.4 | 14% | 0.141 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.9 | -34.8 | 177.1 | -168.1 | 61.6 | 0 | 0 | 0 | 112.6 | G313 F314 A360 L361 I362 T366 L367 | G313-L364 WeakPolarHBondContact O-CD2 3.15Å; F314-L364 HydrophobicContact CD1-CB 4.49Å; F314-L364 HydrophobicContact CD1-CD2 3.61Å; F314-L364 HydrophobicContact CD1-CG 3.76Å; F314-L364 HydrophobicContact CE1-CB 4.28Å; F314-L364 HydrophobicContact CE1-CD2 4.11Å; F314-L364 HydrophobicContact CE1-CG 3.71Å; A360-L364 VanDerWaalsContact O-CB 3.24Å; A360-L364 WeakPolarHBondContact O-CB 3.44Å; A360-L364 PolarHBondContact O-N 2.74Å; L361-L364 PolarHBondContact O-N 3.44Å; I362-L364 PolarHBondContact O-N 3.28Å; L364-T366 VanDerWaalsContact C-N 3.3Å; L364-L367 HydrophobicContact CD1-CD2 4.07Å; L364-L367 WeakPolarHBondContact O-CB 3.39Å; L364-L367 PolarHBondContact O-N 3.09Å |
| 365 | T | 95.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.012 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.9 | -27.9 | 172.2 | 58.7 | 0 | 0 | 0 | 0 | 112.7 | F314 L361 I362 P363 P369 F378 N386 L419 | F314-T365 HydrophobicContact CE1-CG2 3.98Å; F314-T365 HydrophobicContact CZ-CG2 4.39Å; L361-T365 WeakPolarHBondContact O-CG2 3.3Å; L361-T365 PolarHBondContact O-N 2.88Å; I362-T365 PolarHBondContact O-N 3.38Å; I362-T365 PolarHBondContact O-OG1 2.83Å; P363-T365 PolarHBondContact O-N 3.03Å; T365-P369 WeakPolarHBondContact O-CD 3.34Å; T365-F378 HydrophobicContact CG2-CE1 3.7Å; T365-F378 HydrophobicContact CG2-CZ 3.75Å; T365-F378 WeakPolarHBondContact O-CD1 3.21Å; T365-N386 WeakPolarHBondContact CG2-ND2 3.49Å; T365-L419 HydrophobicContact CG2-CD1 3.76Å |
| 366 | T | 94.3 | Very high | 95 | Very high | 59 Ų | 59 | 51.6 Ų | 51.6 | 36% | 0.362 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -74.7 | -23.8 | 172.1 | 63.2 | 0 | 0 | 0 | 0 | 113.4 | I362 P363 L364 A368 P369 P379 | I362-T366 PolarHBondContact O-N 3.3Å; P363-T366 WeakPolarHBondContact CA-OG1 3.5Å; P363-T366 PolarHBondContact O-N 2.8Å; P363-T366 PolarHBondContact O-OG1 3.42Å; L364-T366 VanDerWaalsContact C-N 3.3Å; T366-A368 VanDerWaalsContact C-N 3.32Å; T366-P369 VanDerWaalsContact O-CD 3.26Å; T366-P369 WeakPolarHBondContact O-CD 3.24Å; T366-P369 WeakPolarHBondContact O-CG 3.3Å; T366-P379 HydrophobicContact CG2-CB 3.7Å; T366-P379 HydrophobicContact CG2-CG 4.42Å |
| 367 | L | 94.5 | Very high | 94.8 | Very high | 75 Ų | 75 | 48.6 Ų | 48.6 | 39% | 0.393 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -70.2 | -30 | 175.3 | -174.7 | 61.2 | 0 | 0 | 0 | 112.1 | V310 P363 L364 A370 L371 | V310-L367 HydrophobicContact CG2-CD2 4.28Å; V310-L367 HydrophobicContact CG2-CG 4.33Å; P363-L367 PolarHBondContact O-N 3.32Å; L364-L367 HydrophobicContact CD1-CD2 4.07Å; L364-L367 WeakPolarHBondContact O-CB 3.39Å; L364-L367 PolarHBondContact O-N 3.09Å; L367-A370 PolarHBondContact O-N 3.01Å; L367-L371 HydrophobicContact CD1-CD1 4.04Å; L367-L371 HydrophobicContact CD1-CG 4.13Å; L367-L371 HydrophobicContact CD2-CD1 4.33Å; L367-L371 HydrophobicContact CG-CD1 3.83Å; L367-L371 HydrophobicContact CG-CG 4.33Å; L367-L371 PolarHBondContact O-N 3Å; L367-L371 VanDerWaalsContact O-N 3.11Å |
| 368 | A | 93.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.6 | -50.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | V310 F314 T366 L371 I373 T374 F378 | V310-A368 HydrophobicContact CG1-CB 4.04Å; F314-A368 HydrophobicContact CZ-CB 4.33Å; T366-A368 VanDerWaalsContact C-N 3.32Å; A368-L371 PolarHBondContact O-N 3.28Å; A368-I373 WeakPolarHBondContact O-CB 3.33Å; A368-I373 PolarHBondContact O-N 3.35Å; A368-I373 VanDerWaalsContact O-N 3.07Å; A368-T374 HydrophobicContact CB-CG2 4.4Å; A368-T374 WeakPolarHBondContact CB-OG1 3.26Å; A368-F378 HydrophobicContact CB-CD1 3.92Å; A368-F378 HydrophobicContact CB-CE1 3.91Å |
| 369 | P | 93.7 | Very high | 94.6 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -72.2 | -27.6 | 174.6 | 28.6 | -36.3 | 0 | 0 | 0 | 113.5 | T365 T366 L371 D372 T374 W376 P379 | T365-P369 WeakPolarHBondContact O-CD 3.34Å; T366-P369 VanDerWaalsContact O-CD 3.26Å; T366-P369 WeakPolarHBondContact O-CD 3.24Å; T366-P369 WeakPolarHBondContact O-CG 3.3Å; P369-L371 PolarHBondContact O-N 2.64Å; P369-D372 PolarHBondContact O-N 3.48Å; P369-D372 VanDerWaalsContact O-N 3.09Å; P369-T374 VanDerWaalsContact CA-O 3.26Å; P369-T374 WeakPolarHBondContact CA-O 3.37Å; P369-T374 WeakPolarHBondContact CB-O 3.2Å; P369-T374 WeakPolarHBondContact CD-OG1 3.4Å; P369-W376 HydrophobicContact CB-CD2 3.92Å; P369-W376 HydrophobicContact CB-CE3 4.2Å; P369-W376 HydrophobicContact CB-CG 4.17Å; P369-W376 HydrophobicContact CG-CD2 4.04Å; P369-W376 HydrophobicContact CG-CE3 3.79Å; P369-W376 HydrophobicContact CG-CH2 4.45Å; P369-W376 HydrophobicContact CG-CZ3 4.01Å; P369-P379 HydrophobicContact CG-CG 4.13Å |
| 370 | A | 92.7 | Very high | 94.5 | Very high | 60 Ų | 60 | 48.5 Ų | 48.5 | 50% | 0.496 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.8 | -23.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | L367 | L367-A370 PolarHBondContact O-N 3.01Å |
| 371 | L | 91.6 | Very high | 94.5 | Very high | 71 Ų | 71 | 50 Ų | 50 | 37% | 0.372 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 16.8 | 174.5 | -65.1 | 173.3 | 0 | 0 | 0 | 112.7 | P306 V310 L367 A368 P369 I373 | P306-L371 HydrophobicContact CB-CD1 3.87Å; P306-L371 HydrophobicContact CB-CD2 4.13Å; P306-L371 HydrophobicContact CB-CG 4.46Å; V310-L371 HydrophobicContact CG2-CD1 3.54Å; L367-L371 HydrophobicContact CD1-CD1 4.04Å; L367-L371 HydrophobicContact CD1-CG 4.13Å; L367-L371 HydrophobicContact CD2-CD1 4.33Å; L367-L371 HydrophobicContact CG-CD1 3.83Å; L367-L371 HydrophobicContact CG-CG 4.33Å; L367-L371 PolarHBondContact O-N 3Å; L367-L371 VanDerWaalsContact O-N 3.11Å; A368-L371 PolarHBondContact O-N 3.28Å; P369-L371 PolarHBondContact O-N 2.64Å; L371-I373 HydrophobicContact CB-CD1 3.77Å; L371-I373 HydrophobicContact CB-CG1 4.18Å; L371-I373 HydrophobicContact CD1-CD1 4.34Å; L371-I373 PolarHBondContact O-N 3.18Å; L371-I373 VanDerWaalsContact O-N 3.16Å |
| 372 | D | 89.8 | Confident | 94.5 | Very high | 104 Ų | 104 | 50 Ų | 50 | 56% | 0.556 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 20 | 178.6 | -76.9 | -58.1 | 0 | 0 | 0 | 115.9 | P369 K428 | P369-D372 PolarHBondContact O-N 3.48Å; P369-D372 VanDerWaalsContact O-N 3.09Å; D372-K428 IonicContact OD1-NZ 3.07Å; D372-K428 PolarHBondContact OD1-NZ 2.92Å |
| 373 | I | 89.8 | Confident | 94.5 | Very high | 15 Ų | 15 | 51.4 Ų | 51.4 | 8% | 0.077 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -81.3 | -42.1 | 180 | -56.2 | 151.3 | 0 | 0 | 0 | 110.9 | M176 W297 V310 A368 L371 K428 | M176-I373 HydrophobicContact CE-CG2 3.55Å; W297-I373 HydrophobicContact CH2-CG1 4.45Å; W297-I373 HydrophobicContact CH2-CG2 4.29Å; W297-I373 HydrophobicContact CZ3-CG2 4.29Å; V310-I373 HydrophobicContact CB-CD1 3.96Å; V310-I373 HydrophobicContact CG1-CD1 4.31Å; V310-I373 HydrophobicContact CG2-CD1 3.75Å; A368-I373 WeakPolarHBondContact O-CB 3.33Å; A368-I373 PolarHBondContact O-N 3.35Å; A368-I373 VanDerWaalsContact O-N 3.07Å; L371-I373 HydrophobicContact CB-CD1 3.77Å; L371-I373 HydrophobicContact CB-CG1 4.18Å; L371-I373 HydrophobicContact CD1-CD1 4.34Å; L371-I373 PolarHBondContact O-N 3.18Å; L371-I373 VanDerWaalsContact O-N 3.16Å; I373-K428 PolarHBondContact O-N 3.06Å; I373-K428 VanDerWaalsContact O-N 3.13Å |
| 374 | T | 93.6 | Very high | 94.6 | Very high | 4 Ų | 4 | 51.8 Ų | 51.8 | 3% | 0.025 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -127.5 | 168.2 | -179.4 | 58.5 | 0 | 0 | 0 | 0 | 111.2 | M176 A368 P369 F378 C426 | M176-T374 HydrophobicContact CE-CG2 3.81Å; A368-T374 HydrophobicContact CB-CG2 4.4Å; A368-T374 WeakPolarHBondContact CB-OG1 3.26Å; P369-T374 VanDerWaalsContact CA-O 3.26Å; P369-T374 WeakPolarHBondContact CA-O 3.37Å; P369-T374 WeakPolarHBondContact CB-O 3.2Å; P369-T374 WeakPolarHBondContact CD-OG1 3.4Å; T374-F378 HydrophobicContact CG2-CB 4.43Å; T374-F378 HydrophobicContact CG2-CD1 4.3Å; T374-F378 HydrophobicContact CG2-CG 4.26Å; T374-F378 WeakPolarHBondContact OG1-CD1 3.46Å; T374-C426 CarbonylContact C-O 3.51Å; T374-C426 VanDerWaalsContact CA-O 3.3Å; T374-C426 WeakPolarHBondContact CA-O 3.32Å; T374-C426 WeakPolarHBondContact CB-O 3.49Å |
| 375 | T | 94.1 | Very high | 94.8 | Very high | 52 Ų | 52 | 51.1 Ų | 51.1 | 32% | 0.319 | 28% | 0.283 | S | S | . | . | trans | -77.8 | 157.8 | 170.2 | 60 | 0 | 0 | 0 | 0 | 111.1 | N377 F378 C426 | T375-N377 PolarHBondContact O-N 2.94Å; T375-F378 VanDerWaalsContact O-CB 3.31Å; T375-F378 WeakPolarHBondContact O-CB 3.48Å; T375-F378 PolarHBondContact O-N 3.34Å; T375-C426 PolarHBondContact N-O 2.82Å; T375-C426 PolarHBondContact OG1-O 3.5Å | ||
| 376 | W | 94.6 | Very high | 94.9 | Very high | 170 Ų | 170 | 51 Ų | 51 | 64% | 0.644 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -10.9 | 175.4 | -74.8 | 102 | 0 | 0 | 0 | 114.2 | P369 F378 P379 | P369-W376 HydrophobicContact CB-CD2 3.92Å; P369-W376 HydrophobicContact CB-CE3 4.2Å; P369-W376 HydrophobicContact CB-CG 4.17Å; P369-W376 HydrophobicContact CG-CD2 4.04Å; P369-W376 HydrophobicContact CG-CE3 3.79Å; P369-W376 HydrophobicContact CG-CH2 4.45Å; P369-W376 HydrophobicContact CG-CZ3 4.01Å; W376-F378 VanDerWaalsContact C-N 3.28Å; W376-F378 PolarHBondContact O-N 3.26Å; W376-P379 HydrophobicContact CE3-CG 4.37Å; W376-P379 VanDerWaalsContact O-CD 3.29Å; W376-P379 WeakPolarHBondContact O-CD 3.44Å; W376-P379 VanDerWaalsContact O-CG 3.31Å; W376-P379 WeakPolarHBondContact O-CG 3.33Å |
| 377 | N | 94.6 | Very high | 95.1 | Very high | 107 Ų | 107 | 52.5 Ų | 52.5 | 57% | 0.572 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -66.2 | -30.7 | 169.8 | -69.8 | -19.8 | 0 | 0 | 0 | 112.2 | T375 V380 V381 | T375-N377 PolarHBondContact O-N 2.94Å; N377-V380 WeakPolarHBondContact O-CB 3.31Å; N377-V380 PolarHBondContact O-N 2.86Å; N377-V380 VanDerWaalsContact O-N 3.11Å; N377-V381 WeakPolarHBondContact O-CG2 3.41Å; N377-V381 PolarHBondContact O-N 3.36Å |
| 378 | F | 96.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.1 | -53.7 | -177.1 | 176.1 | -119.8 | 0 | 0 | 0 | 114.4 | F314 T365 A368 T374 T375 W376 V380 V381 S382 L419 L422 A423 C426 | F314-F378 HydrophobicContact CE2-CE1 4.37Å; F314-F378 HydrophobicContact CE2-CZ 4.21Å; F314-F378 AromaticContact CZ-CE1 3.73Å; F314-F378 HydrophobicContact CZ-CE1 3.73Å; F314-F378 AromaticContact CZ-CZ 3.9Å; F314-F378 HydrophobicContact CZ-CZ 3.9Å; T365-F378 HydrophobicContact CG2-CE1 3.7Å; T365-F378 HydrophobicContact CG2-CZ 3.75Å; T365-F378 WeakPolarHBondContact O-CD1 3.21Å; A368-F378 HydrophobicContact CB-CD1 3.92Å; A368-F378 HydrophobicContact CB-CE1 3.91Å; T374-F378 HydrophobicContact CG2-CB 4.43Å; T374-F378 HydrophobicContact CG2-CD1 4.3Å; T374-F378 HydrophobicContact CG2-CG 4.26Å; T374-F378 WeakPolarHBondContact OG1-CD1 3.46Å; T375-F378 VanDerWaalsContact O-CB 3.31Å; T375-F378 WeakPolarHBondContact O-CB 3.48Å; T375-F378 PolarHBondContact O-N 3.34Å; W376-F378 VanDerWaalsContact C-N 3.28Å; W376-F378 PolarHBondContact O-N 3.26Å; F378-V380 PolarHBondContact O-N 3.4Å; F378-V381 WeakPolarHBondContact O-CG2 3.4Å; F378-V381 PolarHBondContact O-N 2.94Å; F378-S382 VanDerWaalsContact O-CB 3.27Å; F378-S382 WeakPolarHBondContact O-CB 3.38Å; F378-S382 PolarHBondContact O-N 3.31Å; F378-S382 PolarHBondContact O-OG 2.99Å; F378-L419 HydrophobicContact CE2-CD1 4.27Å; F378-L419 HydrophobicContact CZ-CD1 3.99Å; F378-L422 HydrophobicContact CD2-CB 4.35Å; F378-L422 HydrophobicContact CE2-CB 4.12Å; F378-A423 HydrophobicContact CD2-CB 4.27Å; F378-A423 VanDerWaalsContact CE2-CA 3.4Å; F378-A423 HydrophobicContact CE2-CB 3.62Å; F378-A423 VanDerWaalsContact CE2-N 3.34Å; F378-A423 HydrophobicContact CZ-CB 3.81Å; F378-C426 HydrophobicContact CB-CB 3.65Å; F378-C426 HydrophobicContact CD2-CB 4.32Å; F378-C426 HydrophobicContact CG-CB 4.38Å |
| 379 | P | 96.4 | Very high | 95.5 | Very high | 15 Ų | 15 | 54.2 Ų | 54.2 | 10% | 0.097 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.9 | -31.7 | 177.1 | 22.8 | -34.4 | 0 | 0 | 0 | 112.6 | T366 P369 W376 S382 L383 | T366-P379 HydrophobicContact CG2-CB 3.7Å; T366-P379 HydrophobicContact CG2-CG 4.42Å; P369-P379 HydrophobicContact CG-CG 4.13Å; W376-P379 HydrophobicContact CE3-CG 4.37Å; W376-P379 VanDerWaalsContact O-CD 3.29Å; W376-P379 WeakPolarHBondContact O-CD 3.44Å; W376-P379 VanDerWaalsContact O-CG 3.31Å; W376-P379 WeakPolarHBondContact O-CG 3.33Å; P379-S382 WeakPolarHBondContact CA-OG 3.21Å; P379-S382 PolarHBondContact O-OG 3.39Å; P379-L383 WeakPolarHBondContact O-CB 3.44Å; P379-L383 PolarHBondContact O-N 2.91Å; P379-L383 VanDerWaalsContact O-N 3.1Å |
| 380 | V | 96.8 | Very high | 95.7 | Very high | 101 Ų | 101 | 54.4 Ų | 54.4 | 61% | 0.612 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -69.4 | -51.2 | 178.3 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | N377 F378 S382 L383 | N377-V380 WeakPolarHBondContact O-CB 3.31Å; N377-V380 PolarHBondContact O-N 2.86Å; N377-V380 VanDerWaalsContact O-N 3.11Å; F378-V380 PolarHBondContact O-N 3.4Å; V380-S382 VanDerWaalsContact C-N 3.34Å; V380-S382 PolarHBondContact O-N 2.96Å; V380-L383 WeakPolarHBondContact O-CB 3.34Å; V380-L383 PolarHBondContact O-N 3.31Å |
| 381 | V | 96.9 | Very high | 96 | Very high | 66 Ų | 66 | 58 Ų | 58 | 40% | 0.4 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -72 | -27.2 | -178.1 | -58.4 | 0 | 0 | 0 | 0 | 113 | N377 F378 P384 L422 | N377-V381 WeakPolarHBondContact O-CG2 3.41Å; N377-V381 PolarHBondContact O-N 3.36Å; F378-V381 WeakPolarHBondContact O-CG2 3.4Å; F378-V381 PolarHBondContact O-N 2.94Å; V381-P384 WeakPolarHBondContact O-CD 3.34Å; V381-L422 HydrophobicContact CG2-CB 4.48Å; V381-L422 HydrophobicContact CG2-CD2 4.12Å |
| 382 | S | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -85.4 | -11.8 | 175.9 | 64.8 | 0 | 0 | 0 | 0 | 113.6 | F378 P379 V380 I385 N386 | F378-S382 VanDerWaalsContact O-CB 3.27Å; F378-S382 WeakPolarHBondContact O-CB 3.38Å; F378-S382 PolarHBondContact O-N 3.31Å; F378-S382 PolarHBondContact O-OG 2.99Å; P379-S382 WeakPolarHBondContact CA-OG 3.21Å; P379-S382 PolarHBondContact O-OG 3.39Å; V380-S382 VanDerWaalsContact C-N 3.34Å; V380-S382 PolarHBondContact O-N 2.96Å; S382-I385 WeakPolarHBondContact O-CG1 3.33Å; S382-I385 PolarHBondContact O-N 3.42Å; S382-N386 WeakPolarHBondContact O-CB 3.24Å; S382-N386 PolarHBondContact O-N 2.94Å; S382-N386 VanDerWaalsContact O-N 3.14Å; S382-N386 PolarHBondContact O-ND2 2.75Å; S382-N386 VanDerWaalsContact O-ND2 3.09Å |
| 383 | L | 97.8 | Very high | 96.7 | Very high | 71 Ų | 71 | 50 Ų | 50 | 37% | 0.372 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.2 | -46.1 | -178.4 | -173.4 | 63.6 | 0 | 0 | 0 | 113.1 | I362 P379 V380 I385 N386 L387 | I362-L383 HydrophobicContact CG2-CD1 4.17Å; P379-L383 WeakPolarHBondContact O-CB 3.44Å; P379-L383 PolarHBondContact O-N 2.91Å; P379-L383 VanDerWaalsContact O-N 3.1Å; V380-L383 WeakPolarHBondContact O-CB 3.34Å; V380-L383 PolarHBondContact O-N 3.31Å; L383-I385 VanDerWaalsContact C-N 3.34Å; L383-I385 PolarHBondContact O-N 3.41Å; L383-N386 PolarHBondContact O-N 3.07Å; L383-L387 HydrophobicContact CD1-CD1 4.09Å; L383-L387 HydrophobicContact CD1-CD2 4.28Å; L383-L387 HydrophobicContact CD1-CG 3.89Å; L383-L387 HydrophobicContact CD2-CD1 4.32Å; L383-L387 HydrophobicContact CG-CD1 3.77Å; L383-L387 HydrophobicContact CG-CG 4.02Å; L383-L387 WeakPolarHBondContact O-CB 3.32Å; L383-L387 VanDerWaalsContact O-CG 3.31Å; L383-L387 WeakPolarHBondContact O-CG 3.5Å; L383-L387 PolarHBondContact O-N 3.44Å |
| 384 | P | 98.2 | Very high | 97.1 | Very high | 84 Ų | 84 | 50.5 Ų | 50.5 | 55% | 0.545 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.2 | -42.4 | -178.2 | -25.2 | 35.8 | 0 | 0 | 0 | 113.2 | V381 Y388 | V381-P384 WeakPolarHBondContact O-CD 3.34Å; P384-Y388 WeakPolarHBondContact O-CB 3.25Å; P384-Y388 PolarHBondContact O-N 3.43Å |
| 385 | I | 97.9 | Very high | 97.3 | Very high | 12 Ų | 12 | 53.8 Ų | 53.8 | 6% | 0.062 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.3 | -35.6 | -179.6 | 64.4 | 165.4 | 0 | 0 | 0 | 111.7 | S382 L383 Y388 I389 W414 H415 M418 L419 L422 | S382-I385 WeakPolarHBondContact O-CG1 3.33Å; S382-I385 PolarHBondContact O-N 3.42Å; L383-I385 VanDerWaalsContact C-N 3.34Å; L383-I385 PolarHBondContact O-N 3.41Å; I385-Y388 PolarHBondContact O-N 3.34Å; I385-I389 PolarHBondContact O-N 3.11Å; I385-W414 HydrophobicContact CB-CH2 4.48Å; I385-W414 HydrophobicContact CB-CZ3 4.21Å; I385-W414 HydrophobicContact CG2-CH2 4.29Å; I385-W414 HydrophobicContact CG2-CZ3 3.9Å; I385-H415 PolarHBondContact O-CD2 3.27Å; I385-M418 HydrophobicContact CD1-CB 4.42Å; I385-M418 HydrophobicContact CD1-CG 4.19Å; I385-M418 HydrophobicContact CG2-CE 3.74Å; I385-M418 HydrophobicContact CG2-SD 3.67Å; I385-L419 HydrophobicContact CD1-CB 4.11Å; I385-L419 HydrophobicContact CD1-CD1 4.19Å; I385-L422 HydrophobicContact CD1-CD1 3.8Å; I385-L422 HydrophobicContact CG1-CD1 4.46Å |
| 386 | N | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72.5 | -36.7 | 177.3 | -74.5 | -38 | 0 | 0 | 0 | 112.2 | I362 T365 S382 L383 I389 S390 H415 | I362-N386 HydrophobicContact CG1-CB 3.83Å; T365-N386 WeakPolarHBondContact CG2-ND2 3.49Å; S382-N386 WeakPolarHBondContact O-CB 3.24Å; S382-N386 PolarHBondContact O-N 2.94Å; S382-N386 VanDerWaalsContact O-N 3.14Å; S382-N386 PolarHBondContact O-ND2 2.75Å; S382-N386 VanDerWaalsContact O-ND2 3.09Å; L383-N386 PolarHBondContact O-N 3.07Å; N386-I389 VanDerWaalsContact O-CG2 3.32Å; N386-I389 WeakPolarHBondContact O-CG2 3.38Å; N386-S390 VanDerWaalsContact O-CB 3.24Å; N386-S390 WeakPolarHBondContact O-CB 3.28Å; N386-S390 PolarHBondContact O-N 3.31Å; N386-S390 VanDerWaalsContact O-N 3.09Å; N386-S390 PolarHBondContact O-OG 3.5Å; N386-H415 PolarHBondContact OD1-NE2 3.42Å |
| 387 | L | 98.3 | Very high | 97.7 | Very high | 91 Ų | 91 | 46.9 Ų | 46.9 | 48% | 0.476 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66 | -40.5 | 171 | -71.2 | 178.2 | 0 | 0 | 0 | 111.1 | I362 L383 S390 Y391 | I362-L387 HydrophobicContact CD1-CD2 4.01Å; L383-L387 HydrophobicContact CD1-CD1 4.09Å; L383-L387 HydrophobicContact CD1-CD2 4.28Å; L383-L387 HydrophobicContact CD1-CG 3.89Å; L383-L387 HydrophobicContact CD2-CD1 4.32Å; L383-L387 HydrophobicContact CG-CD1 3.77Å; L383-L387 HydrophobicContact CG-CG 4.02Å; L383-L387 WeakPolarHBondContact O-CB 3.32Å; L383-L387 VanDerWaalsContact O-CG 3.31Å; L383-L387 WeakPolarHBondContact O-CG 3.5Å; L383-L387 PolarHBondContact O-N 3.44Å; L387-S390 PolarHBondContact O-N 3.23Å; L387-Y391 WeakPolarHBondContact O-CB 3.44Å; L387-Y391 PolarHBondContact O-N 3.42Å |
| 388 | Y | 98.4 | Very high | 97.8 | Very high | 112 Ų | 112 | 50.3 Ų | 50.3 | 44% | 0.439 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.1 | -47.3 | 179.8 | -173.9 | -107.7 | 0 | 0 | 0 | 112.8 | P384 I385 S390 Y391 L392 C411 W414 | P384-Y388 WeakPolarHBondContact O-CB 3.25Å; P384-Y388 PolarHBondContact O-N 3.43Å; I385-Y388 PolarHBondContact O-N 3.34Å; Y388-S390 VanDerWaalsContact C-N 3.29Å; Y388-S390 PolarHBondContact O-N 2.61Å; Y388-Y391 PolarHBondContact O-N 3.16Å; Y388-L392 HydrophobicContact CD1-CD1 4.16Å; Y388-L392 HydrophobicContact CE1-CD1 3.57Å; Y388-L392 HydrophobicContact CE1-CG 4.32Å; Y388-L392 PolarHBondContact O-N 3.46Å; Y388-C411 VanDerWaalsContact CD1-SG 3.59Å; Y388-C411 HydrophobicContact CE1-CB 4.35Å; Y388-W414 AromaticContact CD1-CH2 4Å; Y388-W414 HydrophobicContact CD1-CH2 4Å; Y388-W414 AromaticContact CD1-CZ2 3.69Å; Y388-W414 HydrophobicContact CD1-CZ2 3.69Å; Y388-W414 AromaticContact CE1-CZ2 3.8Å; Y388-W414 HydrophobicContact CE1-CZ2 3.8Å |
| 389 | I | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.1 | -36.5 | 175.2 | -165.4 | 171.7 | 0 | 0 | 0 | 111.3 | P321 L361 I385 N386 L392 A393 L408 H415 | P321-I389 HydrophobicContact CB-CD1 4.47Å; P321-I389 HydrophobicContact CG-CD1 4.18Å; L361-I389 HydrophobicContact CD1-CG2 4.37Å; I385-I389 PolarHBondContact O-N 3.11Å; N386-I389 VanDerWaalsContact O-CG2 3.32Å; N386-I389 WeakPolarHBondContact O-CG2 3.38Å; I389-L392 PolarHBondContact O-N 3.15Å; I389-A393 WeakPolarHBondContact O-CB 3.33Å; I389-A393 PolarHBondContact O-N 2.99Å; I389-L408 HydrophobicContact CG1-CD1 3.88Å; I389-H415 HydrophobicContact CD1-CB 4.21Å |
| 390 | S | 98.5 | Very high | 97.6 | Very high | 8 Ų | 8 | 55 Ų | 55 | 6% | 0.056 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 175.5 | -63.9 | 0 | 0 | 0 | 0 | 112.6 | S358 N386 L387 Y388 A393 A394 | S358-S390 PolarHBondContact O-OG 3.22Å; N386-S390 VanDerWaalsContact O-CB 3.24Å; N386-S390 WeakPolarHBondContact O-CB 3.28Å; N386-S390 PolarHBondContact O-N 3.31Å; N386-S390 VanDerWaalsContact O-N 3.09Å; N386-S390 PolarHBondContact O-OG 3.5Å; L387-S390 PolarHBondContact O-N 3.23Å; Y388-S390 VanDerWaalsContact C-N 3.29Å; Y388-S390 PolarHBondContact O-N 2.61Å; S390-A393 PolarHBondContact O-N 3Å; S390-A394 WeakPolarHBondContact O-CB 3.31Å; S390-A394 PolarHBondContact O-N 3.19Å |
| 391 | Y | 98.5 | Very high | 97.5 | Very high | 135 Ų | 135 | 53.1 Ų | 53.1 | 53% | 0.529 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 173.7 | 163.8 | -108.1 | 0 | 0 | 0 | 111.5 | L387 Y388 A393 A394 R395 | L387-Y391 WeakPolarHBondContact O-CB 3.44Å; L387-Y391 PolarHBondContact O-N 3.42Å; Y388-Y391 PolarHBondContact O-N 3.16Å; Y391-A393 VanDerWaalsContact C-N 3.3Å; Y391-A393 PolarHBondContact O-N 3.39Å; Y391-A394 PolarHBondContact O-N 3.45Å; Y391-R395 PolarHBondContact O-N 3.31Å |
| 392 | L | 98.4 | Very high | 97.4 | Very high | 7 Ų | 7 | 56.5 Ų | 56.5 | 4% | 0.037 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.1 | -35.6 | 176 | -68.7 | -179.9 | 0 | 0 | 0 | 112.2 | Y388 I389 R395 F396 K407 L408 C411 | Y388-L392 HydrophobicContact CD1-CD1 4.16Å; Y388-L392 HydrophobicContact CE1-CD1 3.57Å; Y388-L392 HydrophobicContact CE1-CG 4.32Å; Y388-L392 PolarHBondContact O-N 3.46Å; I389-L392 PolarHBondContact O-N 3.15Å; L392-R395 PolarHBondContact O-N 3.3Å; L392-F396 WeakPolarHBondContact O-CB 3.31Å; L392-F396 PolarHBondContact O-N 3.42Å; L392-K407 HydrophobicContact CD2-CB 4.34Å; L392-L408 HydrophobicContact CB-CB 4.47Å; L392-L408 HydrophobicContact CB-CD1 4.01Å; L392-C411 HydrophobicContact CD1-CB 3.37Å |
| 393 | A | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.5 | -37.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L355 S358 I389 S390 Y391 F396 Y397 L408 | L355-A393 HydrophobicContact CD1-CB 4.16Å; S358-A393 WeakPolarHBondContact OG-CB 3.47Å; I389-A393 WeakPolarHBondContact O-CB 3.33Å; I389-A393 PolarHBondContact O-N 2.99Å; S390-A393 PolarHBondContact O-N 3Å; Y391-A393 VanDerWaalsContact C-N 3.3Å; Y391-A393 PolarHBondContact O-N 3.39Å; A393-F396 PolarHBondContact O-N 3.34Å; A393-Y397 WeakPolarHBondContact O-CB 3.5Å; A393-Y397 PolarHBondContact O-N 2.88Å; A393-L408 HydrophobicContact CB-CD1 4.06Å; A393-L408 HydrophobicContact CB-CD2 4.16Å |
| 394 | A | 98.4 | Very high | 97.3 | Very high | 26 Ų | 26 | 56.3 Ų | 56.3 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L355 S390 Y391 F396 Y397 Y398 | L355-A394 HydrophobicContact CD1-CB 4.02Å; S390-A394 WeakPolarHBondContact O-CB 3.31Å; S390-A394 PolarHBondContact O-N 3.19Å; Y391-A394 PolarHBondContact O-N 3.45Å; A394-F396 VanDerWaalsContact C-N 3.33Å; A394-F396 PolarHBondContact O-N 2.9Å; A394-Y397 WeakPolarHBondContact O-CB 3.42Å; A394-Y397 PolarHBondContact O-N 3.36Å; A394-Y397 VanDerWaalsContact O-N 3.09Å; A394-Y398 WeakPolarHBondContact O-CD2 3.49Å; A394-Y398 PolarHBondContact O-N 3.44Å |
| 395 | R | 98 | Very high | 97.3 | Very high | 72 Ų | 72 | 52.3 Ų | 52.3 | 27% | 0.272 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.8 | -44.3 | 173.6 | -174.3 | 177.8 | 175.5 | 156.2 | 7 | 111.6 | Y391 L392 Y397 Y398 Q399 | Y391-R395 PolarHBondContact O-N 3.31Å; L392-R395 PolarHBondContact O-N 3.3Å; R395-Y397 VanDerWaalsContact C-N 3.32Å; R395-Y398 PolarHBondContact O-N 2.83Å; R395-Q399 HydrophobicContact CG-CG 4.26Å; R395-Q399 VanDerWaalsContact O-CB 3.29Å; R395-Q399 WeakPolarHBondContact O-CB 3.42Å; R395-Q399 WeakPolarHBondContact O-CG 3.37Å; R395-Q399 PolarHBondContact O-N 2.92Å |
| 396 | F | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 173.9 | 174.2 | -122.6 | 0 | 0 | 0 | 112.1 | W328 K351 A354 L392 A393 A394 G400 A405 L408 | W328-F396 HydrophobicContact CB-CE2 4.17Å; W328-F396 HydrophobicContact CB-CZ 4.06Å; W328-F396 AromaticContact CD1-CE2 3.98Å; W328-F396 AromaticContact CD2-CE2 3.7Å; W328-F396 HydrophobicContact CD2-CE2 3.7Å; W328-F396 AromaticContact CD2-CZ 3.75Å; W328-F396 HydrophobicContact CD2-CZ 3.75Å; W328-F396 HydrophobicContact CE3-CE2 4.12Å; W328-F396 AromaticContact CE3-CZ 3.72Å; W328-F396 HydrophobicContact CE3-CZ 3.72Å; W328-F396 AromaticContact CG-CE2 3.7Å; W328-F396 HydrophobicContact CG-CE2 3.7Å; W328-F396 AromaticContact CG-CZ 3.91Å; W328-F396 HydrophobicContact CG-CZ 3.91Å; W328-F396 HydrophobicContact CZ3-CZ 4.39Å; K351-F396 HydrophobicContact CB-CE1 4.36Å; K351-F396 WeakPolarHBondContact CD-O 3.21Å; K351-F396 HydrophobicContact CG-CD1 4.4Å; K351-F396 HydrophobicContact CG-CE1 3.89Å; K351-F396 HydrophobicContact CG-CE2 4.33Å; K351-F396 HydrophobicContact CG-CZ 3.85Å; A354-F396 HydrophobicContact CB-CD1 4.17Å; A354-F396 HydrophobicContact CB-CE1 4.15Å; L392-F396 WeakPolarHBondContact O-CB 3.31Å; L392-F396 PolarHBondContact O-N 3.42Å; A393-F396 PolarHBondContact O-N 3.34Å; A394-F396 VanDerWaalsContact C-N 3.33Å; A394-F396 PolarHBondContact O-N 2.9Å; F396-G400 WeakPolarHBondContact O-CA 3.33Å; F396-G400 PolarHBondContact O-N 2.78Å; F396-A405 HydrophobicContact CD2-CB 3.93Å; F396-A405 HydrophobicContact CE2-CB 3.7Å; F396-L408 HydrophobicContact CB-CD2 3.98Å; F396-L408 HydrophobicContact CD1-CD2 3.75Å; F396-L408 HydrophobicContact CG-CD2 4.08Å |
| 397 | Y | 98.1 | Very high | 97.2 | Very high | 77 Ų | 77 | 62.6 Ų | 62.6 | 30% | 0.302 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 177.5 | 175.7 | -107.7 | 0 | 0 | 0 | 112.7 | K351 R352 L355 A393 A394 R395 | K351-Y397 HydrophobicContact CB-CD2 3.92Å; K351-Y397 WeakPolarHBondContact CE-O 3.09Å; K351-Y397 PolarHBondContact NZ-O 2.81Å; R352-Y397 HydrophobicContact CB-CE2 4.46Å; R352-Y397 HydrophobicContact CG-CD2 4.1Å; R352-Y397 HydrophobicContact CG-CE2 3.4Å; L355-Y397 HydrophobicContact CD2-CD1 3.88Å; L355-Y397 HydrophobicContact CD2-CD2 4.41Å; L355-Y397 HydrophobicContact CD2-CG 3.8Å; A393-Y397 WeakPolarHBondContact O-CB 3.5Å; A393-Y397 PolarHBondContact O-N 2.88Å; A394-Y397 WeakPolarHBondContact O-CB 3.42Å; A394-Y397 PolarHBondContact O-N 3.36Å; A394-Y397 VanDerWaalsContact O-N 3.09Å; R395-Y397 VanDerWaalsContact C-N 3.32Å |
| 398 | Y | 97.4 | Very high | 97.2 | Very high | 179 Ų | 179 | 58.2 Ų | 58.2 | 70% | 0.702 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -76.4 | -48.1 | -180 | -67.5 | -64.7 | 0 | 0 | 0 | 113 | A394 R395 | A394-Y398 WeakPolarHBondContact O-CD2 3.49Å; A394-Y398 PolarHBondContact O-N 3.44Å; R395-Y398 PolarHBondContact O-N 2.83Å |
| 399 | Q | 95.4 | Very high | 97.2 | Very high | 99 Ų | 99 | 54.8 Ų | 54.8 | 46% | 0.463 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -80.7 | -44.9 | -173.8 | -63.7 | 178.9 | -3.5 | 0 | 0 | 112.7 | R395 D401 | R395-Q399 HydrophobicContact CG-CG 4.26Å; R395-Q399 VanDerWaalsContact O-CB 3.29Å; R395-Q399 WeakPolarHBondContact O-CB 3.42Å; R395-Q399 WeakPolarHBondContact O-CG 3.37Å; R395-Q399 PolarHBondContact O-N 2.92Å; Q399-D401 PolarHBondContact O-N 2.95Å |
| 400 | G | 92.8 | Very high | 97.1 | Very high | 14 Ų | 14 | 60.1 Ų | 60.1 | 14% | 0.144 | 26% | 0.262 | C | S | . | . | trans | 59.6 | 22.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | W328 F396 | W328-G400 VanDerWaalsContact CE2-O 3.24Å; W328-G400 WeakPolarHBondContact CZ2-O 3.34Å; W328-G400 PolarHBondContact NE1-O 2.95Å; F396-G400 WeakPolarHBondContact O-CA 3.33Å; F396-G400 PolarHBondContact O-N 2.78Å | ||
| 401 | D | 94.3 | Very high | 97.1 | Very high | 62 Ų | 62 | 59.9 Ų | 59.9 | 33% | 0.332 | 26% | 0.26 | S | S | . | . | trans | -93.1 | 167.7 | 180 | 73.2 | -25.4 | 0 | 0 | 0 | 112.3 | Q399 N403 S404 A405 | Q399-D401 PolarHBondContact O-N 2.95Å; D401-N403 PolarHBondContact O-N 3.39Å; D401-N403 WeakPolarHBondContact OD2-CB 3.31Å; D401-S404 PolarHBondContact N-OG 3.04Å; D401-S404 PolarHBondContact O-OG 2.83Å; D401-S404 WeakPolarHBondContact OD1-CA 3.37Å; D401-S404 WeakPolarHBondContact OD1-CB 3.26Å; D401-S404 PolarHBondContact OD1-N 3.13Å; D401-S404 PolarHBondContact OD1-OG 2.95Å; D401-A405 PolarHBondContact O-N 3.41Å | ||
| 402 | R | 94.2 | Very high | 97 | Very high | 137 Ų | 137 | 53.5 Ų | 53.5 | 52% | 0.517 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.1 | -31.5 | 179.3 | -69.7 | -176 | 175.4 | -177 | -2 | 112.2 | N329 E332 R406 | N329-R402 PolarHBondContact ND2-O 3.48Å; N329-R402 VanDerWaalsContact OD1-CA 3.23Å; N329-R402 WeakPolarHBondContact OD1-CA 3.47Å; N329-R402 WeakPolarHBondContact OD1-CB 3.13Å; N329-R402 WeakPolarHBondContact OD1-CG 3.36Å; N329-R402 PolarHBondContact OD1-O 2.85Å; E332-R402 IonicContact OE1-CZ 3.66Å; E332-R402 IonicContact OE1-NH2 2.65Å; E332-R402 PolarHBondContact OE1-NH2 2.86Å; E332-R402 IonicContact OE2-NH2 2.7Å; E332-R402 PolarHBondContact OE2-NH2 3.16Å; R402-R406 VanDerWaalsContact O-CB 3.31Å; R402-R406 WeakPolarHBondContact O-CB 3.47Å; R402-R406 PolarHBondContact O-N 3.44Å |
| 403 | N | 96.7 | Very high | 96.8 | Very high | 66 Ų | 66 | 57.1 Ų | 57.1 | 35% | 0.353 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -74.3 | -46.6 | -177.8 | -167 | 15.9 | 0 | 0 | 0 | 112.3 | D401 A405 R406 K407 | D401-N403 PolarHBondContact O-N 3.39Å; D401-N403 WeakPolarHBondContact OD2-CB 3.31Å; N403-A405 VanDerWaalsContact C-N 3.33Å; N403-A405 PolarHBondContact O-N 3.09Å; N403-R406 PolarHBondContact O-N 3.21Å; N403-K407 WeakPolarHBondContact O-CG 3.27Å; N403-K407 PolarHBondContact O-N 3.05Å; N403-K407 WeakPolarHBondContact OD1-CE 3.31Å |
| 404 | S | 97.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61 | -42.2 | 175.3 | 60.6 | 0 | 0 | 0 | 0 | 111.8 | D401 R406 K407 L408 | D401-S404 PolarHBondContact N-OG 3.04Å; D401-S404 PolarHBondContact O-OG 2.83Å; D401-S404 WeakPolarHBondContact OD1-CA 3.37Å; D401-S404 WeakPolarHBondContact OD1-CB 3.26Å; D401-S404 PolarHBondContact OD1-N 3.13Å; D401-S404 PolarHBondContact OD1-OG 2.95Å; S404-R406 PolarHBondContact O-N 3.38Å; S404-K407 PolarHBondContact O-N 2.92Å; S404-L408 PolarHBondContact O-N 3.16Å |
| 405 | A | 97.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.9 | -46.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A325 W328 F396 D401 N403 K407 L408 F409 | A325-A405 WeakPolarHBondContact CB-O 3.17Å; W328-A405 HydrophobicContact CB-CB 3.95Å; W328-A405 HydrophobicContact CG-CB 4.05Å; F396-A405 HydrophobicContact CD2-CB 3.93Å; F396-A405 HydrophobicContact CE2-CB 3.7Å; D401-A405 PolarHBondContact O-N 3.41Å; N403-A405 VanDerWaalsContact C-N 3.33Å; N403-A405 PolarHBondContact O-N 3.09Å; A405-K407 PolarHBondContact O-N 3.41Å; A405-L408 PolarHBondContact O-N 3.14Å; A405-F409 WeakPolarHBondContact O-CB 3.22Å; A405-F409 PolarHBondContact O-N 3.1Å |
| 406 | R | 97.1 | Very high | 96.5 | Very high | 145 Ų | 145 | 57.7 Ų | 57.7 | 55% | 0.547 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 178.8 | -169.3 | 175.8 | 83.7 | 151 | 3.5 | 112.1 | R402 N403 S404 F409 F410 | R402-R406 VanDerWaalsContact O-CB 3.31Å; R402-R406 WeakPolarHBondContact O-CB 3.47Å; R402-R406 PolarHBondContact O-N 3.44Å; N403-R406 PolarHBondContact O-N 3.21Å; S404-R406 PolarHBondContact O-N 3.38Å; R406-F409 PolarHBondContact O-N 3.41Å; R406-F410 HydrophobicContact CG-CD2 3.68Å; R406-F410 HydrophobicContact CG-CE2 3.47Å; R406-F410 VanDerWaalsContact CG-CE2 3.47Å; R406-F410 WeakPolarHBondContact O-CD2 3.3Å; R406-F410 PolarHBondContact O-N 3.48Å |
| 407 | K | 97.6 | Very high | 96.3 | Very high | 83 Ų | 83 | 61 Ų | 61 | 36% | 0.361 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63 | -44.8 | 177.8 | -71.1 | 179.3 | -179.3 | -175.7 | 0 | 112.1 | L392 N403 S404 A405 F410 C411 | L392-K407 HydrophobicContact CD2-CB 4.34Å; N403-K407 WeakPolarHBondContact O-CG 3.27Å; N403-K407 PolarHBondContact O-N 3.05Å; N403-K407 WeakPolarHBondContact OD1-CE 3.31Å; S404-K407 PolarHBondContact O-N 2.92Å; A405-K407 PolarHBondContact O-N 3.41Å; K407-F410 PolarHBondContact O-N 3.33Å; K407-C411 WeakPolarHBondContact O-CB 3.43Å; K407-C411 PolarHBondContact O-N 3.09Å |
| 408 | L | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 176.4 | -179.6 | 58.5 | 0 | 0 | 0 | 111.6 | P321 A325 A354 I389 L392 A393 F396 S404 A405 C411 S412 | P321-L408 HydrophobicContact CB-CD1 4.03Å; P321-L408 HydrophobicContact CB-CD2 4.2Å; P321-L408 HydrophobicContact CB-CG 4.24Å; A325-L408 HydrophobicContact CB-CB 4.05Å; A325-L408 HydrophobicContact CB-CD2 4.03Å; A325-L408 HydrophobicContact CB-CG 4Å; A354-L408 HydrophobicContact CB-CD2 4.47Å; I389-L408 HydrophobicContact CG1-CD1 3.88Å; L392-L408 HydrophobicContact CB-CB 4.47Å; L392-L408 HydrophobicContact CB-CD1 4.01Å; A393-L408 HydrophobicContact CB-CD1 4.06Å; A393-L408 HydrophobicContact CB-CD2 4.16Å; F396-L408 HydrophobicContact CB-CD2 3.98Å; F396-L408 HydrophobicContact CD1-CD2 3.75Å; F396-L408 HydrophobicContact CG-CD2 4.08Å; S404-L408 PolarHBondContact O-N 3.16Å; A405-L408 PolarHBondContact O-N 3.14Å; L408-C411 PolarHBondContact O-N 2.7Å; L408-S412 PolarHBondContact O-N 2.81Å |
| 409 | F | 97.5 | Very high | 96.2 | Very high | 39 Ų | 39 | 52.6 Ų | 52.6 | 17% | 0.171 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.2 | -50.6 | 175.8 | 172.1 | -103.3 | 0 | 0 | 0 | 112 | H322 A325 L326 A405 R406 C411 S412 L413 | H322-F409 AromaticContact CE1-CD2 3.76Å; H322-F409 AromaticContact CE1-CE2 3.24Å; H322-F409 WeakPolarHBondContact CE1-CE2 3.48Å; H322-F409 AromaticContact ND1-CD2 3.82Å; H322-F409 AromaticContact ND1-CE2 3.79Å; H322-F409 AromaticContact NE2-CE2 3.77Å; A325-F409 HydrophobicContact CB-CB 3.95Å; L326-F409 HydrophobicContact CB-CD2 3.74Å; L326-F409 HydrophobicContact CB-CE2 3.91Å; L326-F409 HydrophobicContact CD1-CD2 4.23Å; L326-F409 HydrophobicContact CD1-CE2 3.83Å; L326-F409 HydrophobicContact CD1-CZ 4.06Å; L326-F409 HydrophobicContact CD2-CE2 4.16Å; L326-F409 HydrophobicContact CG-CD2 4.46Å; L326-F409 HydrophobicContact CG-CE2 4.17Å; A405-F409 WeakPolarHBondContact O-CB 3.22Å; A405-F409 PolarHBondContact O-N 3.1Å; R406-F409 PolarHBondContact O-N 3.41Å; F409-C411 VanDerWaalsContact C-N 3.33Å; F409-C411 PolarHBondContact O-N 3Å; F409-S412 PolarHBondContact O-N 2.65Å; F409-S412 PolarHBondContact O-OG 3.18Å; F409-L413 HydrophobicContact CE1-CD1 3.93Å; F409-L413 HydrophobicContact CZ-CD1 4.15Å; F409-L413 HydrophobicContact CZ-CD2 4.43Å; F409-L413 HydrophobicContact CZ-CG 4.45Å; F409-L413 PolarHBondContact O-N 3.29Å |
| 410 | F | 97.3 | Very high | 96.1 | Very high | 113 Ų | 113 | 48.6 Ų | 48.6 | 50% | 0.496 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.7 | -36.8 | 178.6 | -79.9 | -66.3 | 0 | 0 | 0 | 112.9 | R406 K407 S412 L413 | R406-F410 HydrophobicContact CG-CD2 3.68Å; R406-F410 HydrophobicContact CG-CE2 3.47Å; R406-F410 VanDerWaalsContact CG-CE2 3.47Å; R406-F410 WeakPolarHBondContact O-CD2 3.3Å; R406-F410 PolarHBondContact O-N 3.48Å; K407-F410 PolarHBondContact O-N 3.33Å; F410-S412 VanDerWaalsContact C-N 3.34Å; F410-S412 PolarHBondContact O-N 3.13Å; F410-L413 HydrophobicContact CD1-CD1 3.96Å; F410-L413 HydrophobicContact CE1-CD1 4.43Å; F410-L413 PolarHBondContact O-N 2.96Å |
| 411 | C | 97.8 | Very high | 96.3 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.02 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.4 | -44.6 | 173.7 | 175.4 | 0 | 0 | 0 | 0 | 111.9 | Y388 L392 K407 L408 F409 L413 W414 H415 | Y388-C411 VanDerWaalsContact CD1-SG 3.59Å; Y388-C411 HydrophobicContact CE1-CB 4.35Å; L392-C411 HydrophobicContact CD1-CB 3.37Å; K407-C411 WeakPolarHBondContact O-CB 3.43Å; K407-C411 PolarHBondContact O-N 3.09Å; L408-C411 PolarHBondContact O-N 2.7Å; F409-C411 VanDerWaalsContact C-N 3.33Å; F409-C411 PolarHBondContact O-N 3Å; C411-L413 PolarHBondContact O-N 3.41Å; C411-W414 PolarHBondContact O-N 3.39Å; C411-H415 WeakPolarHBondContact O-CB 3.28Å; C411-H415 PolarHBondContact O-N 3.4Å |
| 412 | S | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.7 | -33.2 | 179.6 | 70.4 | 0 | 0 | 0 | 0 | 113 | W318 H322 L408 F409 F410 W414 H415 L416 | W318-S412 VanDerWaalsContact CE2-O 3.24Å; W318-S412 WeakPolarHBondContact CZ2-O 3.4Å; W318-S412 PolarHBondContact NE1-O 3.48Å; H322-S412 WeakPolarHBondContact CA-OG 3.23Å; H322-S412 WeakPolarHBondContact CB-OG 3.24Å; H322-S412 PolarHBondContact ND1-OG 2.8Å; L408-S412 PolarHBondContact O-N 2.81Å; F409-S412 PolarHBondContact O-N 2.65Å; F409-S412 PolarHBondContact O-OG 3.18Å; F410-S412 VanDerWaalsContact C-N 3.34Å; F410-S412 PolarHBondContact O-N 3.13Å; S412-W414 PolarHBondContact O-N 3.07Å; S412-H415 PolarHBondContact O-N 3.38Å; S412-L416 PolarHBondContact O-N 2.99Å |
| 413 | L | 94.3 | Very high | 96.3 | Very high | 83 Ų | 83 | 45 Ų | 45 | 44% | 0.435 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.3 | -42.4 | -178.3 | -72.4 | 172.9 | 0 | 0 | 0 | 113.6 | F409 F410 C411 P417 | F409-L413 HydrophobicContact CE1-CD1 3.93Å; F409-L413 HydrophobicContact CZ-CD1 4.15Å; F409-L413 HydrophobicContact CZ-CD2 4.43Å; F409-L413 HydrophobicContact CZ-CG 4.45Å; F409-L413 PolarHBondContact O-N 3.29Å; F410-L413 HydrophobicContact CD1-CD1 3.96Å; F410-L413 HydrophobicContact CE1-CD1 4.43Å; F410-L413 PolarHBondContact O-N 2.96Å; C411-L413 PolarHBondContact O-N 3.41Å; L413-P417 WeakPolarHBondContact O-CD 3.29Å; L413-P417 WeakPolarHBondContact O-CG 3.5Å |
| 414 | W | 96 | Very high | 96.2 | Very high | 105 Ų | 105 | 44.4 Ų | 44.4 | 40% | 0.398 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -90.6 | -25.4 | 178.1 | 65.2 | -103.6 | 0 | 0 | 0 | 112.6 | I385 Y388 C411 S412 L416 P417 M418 | I385-W414 HydrophobicContact CB-CH2 4.48Å; I385-W414 HydrophobicContact CB-CZ3 4.21Å; I385-W414 HydrophobicContact CG2-CH2 4.29Å; I385-W414 HydrophobicContact CG2-CZ3 3.9Å; Y388-W414 AromaticContact CD1-CH2 4Å; Y388-W414 HydrophobicContact CD1-CH2 4Å; Y388-W414 AromaticContact CD1-CZ2 3.69Å; Y388-W414 HydrophobicContact CD1-CZ2 3.69Å; Y388-W414 AromaticContact CE1-CZ2 3.8Å; Y388-W414 HydrophobicContact CE1-CZ2 3.8Å; C411-W414 PolarHBondContact O-N 3.39Å; S412-W414 PolarHBondContact O-N 3.07Å; W414-L416 PolarHBondContact O-N 2.96Å; W414-P417 WeakPolarHBondContact O-CD 3.35Å; W414-P417 WeakPolarHBondContact O-CG 3.41Å; W414-M418 HydrophobicContact CE3-CB 4.38Å; W414-M418 HydrophobicContact CE3-SD 3.86Å; W414-M418 HydrophobicContact CZ3-SD 3.62Å; W414-M418 VanDerWaalsContact O-CB 3.29Å; W414-M418 WeakPolarHBondContact O-CB 3.19Å; W414-M418 PolarHBondContact O-N 3.15Å; W414-M418 VanDerWaalsContact O-N 3.16Å |
| 415 | H | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.4 | -46 | -179.4 | 169.6 | -83.3 | 0 | 0 | 0 | 112.3 | W318 I385 N386 I389 C411 S412 M418 L419 | W318-H415 AromaticContact CD1-ND1 3.39Å; W318-H415 AromaticContact NE1-ND1 3.93Å; I385-H415 PolarHBondContact O-CD2 3.27Å; N386-H415 PolarHBondContact OD1-NE2 3.42Å; I389-H415 HydrophobicContact CD1-CB 4.21Å; C411-H415 WeakPolarHBondContact O-CB 3.28Å; C411-H415 PolarHBondContact O-N 3.4Å; S412-H415 PolarHBondContact O-N 3.38Å; H415-M418 PolarHBondContact O-N 3.34Å; H415-L419 VanDerWaalsContact O-CB 3.31Å; H415-L419 WeakPolarHBondContact O-CB 3.29Å; H415-L419 PolarHBondContact O-N 2.94Å |
| 416 | L | 94.4 | Very high | 95.7 | Very high | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.8 | -56 | -179.1 | 176 | 67 | 0 | 0 | 0 | 113.6 | T169 L315 W318 S412 W414 M418 L419 L420 | T169-L416 HydrophobicContact CG2-CD2 4.35Å; L315-L416 HydrophobicContact CD1-CD1 3.81Å; L315-L416 HydrophobicContact CG-CD1 4.31Å; L315-L416 HydrophobicContact CG-CD2 4.44Å; W318-L416 HydrophobicContact CB-CD1 4.49Å; W318-L416 HydrophobicContact CD2-CB 3.85Å; W318-L416 HydrophobicContact CD2-CD1 4.29Å; W318-L416 HydrophobicContact CD2-CD2 3.93Å; W318-L416 HydrophobicContact CD2-CG 4.25Å; W318-L416 VanDerWaalsContact CE2-CB 3.5Å; W318-L416 HydrophobicContact CE3-CD2 3.76Å; W318-L416 HydrophobicContact CG-CB 4.07Å; W318-L416 HydrophobicContact CG-CD1 4.21Å; W318-L416 HydrophobicContact CH2-CD2 3.93Å; W318-L416 HydrophobicContact CZ2-CB 3.9Å; W318-L416 HydrophobicContact CZ2-CD2 4.09Å; W318-L416 HydrophobicContact CZ3-CD2 3.76Å; S412-L416 PolarHBondContact O-N 2.99Å; W414-L416 PolarHBondContact O-N 2.96Å; L416-M418 PolarHBondContact O-N 2.91Å; L416-L419 PolarHBondContact O-N 3.16Å; L416-L419 VanDerWaalsContact O-N 3.15Å; L416-L420 HydrophobicContact CD1-CD1 4.03Å; L416-L420 HydrophobicContact CD1-CG 4.1Å; L416-L420 HydrophobicContact CG-CD1 4.14Å; L416-L420 WeakPolarHBondContact O-CG 3.39Å; L416-L420 PolarHBondContact O-N 2.75Å |
| 417 | P | 94 | Very high | 95.4 | Very high | 69 Ų | 69 | 44.6 Ų | 44.6 | 45% | 0.448 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.8 | -35.1 | 179.2 | 19.5 | -29.3 | 0 | 0 | 0 | 111.8 | L413 W414 L421 | L413-P417 WeakPolarHBondContact O-CD 3.29Å; L413-P417 WeakPolarHBondContact O-CG 3.5Å; W414-P417 WeakPolarHBondContact O-CD 3.35Å; W414-P417 WeakPolarHBondContact O-CG 3.41Å; P417-L421 VanDerWaalsContact O-CB 3.28Å; P417-L421 WeakPolarHBondContact O-CB 3.37Å; P417-L421 PolarHBondContact O-N 3.46Å |
| 418 | M | 96.3 | Very high | 94.8 | Very high | 81 Ų | 81 | 45.1 Ų | 45.1 | 40% | 0.399 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.1 | -42.9 | 174.4 | -169.5 | 171.8 | -178.9 | 0 | 0 | 112.2 | I385 W414 H415 L416 L421 L422 | I385-M418 HydrophobicContact CD1-CB 4.42Å; I385-M418 HydrophobicContact CD1-CG 4.19Å; I385-M418 HydrophobicContact CG2-CE 3.74Å; I385-M418 HydrophobicContact CG2-SD 3.67Å; W414-M418 HydrophobicContact CE3-CB 4.38Å; W414-M418 HydrophobicContact CE3-SD 3.86Å; W414-M418 HydrophobicContact CZ3-SD 3.62Å; W414-M418 VanDerWaalsContact O-CB 3.29Å; W414-M418 WeakPolarHBondContact O-CB 3.19Å; W414-M418 PolarHBondContact O-N 3.15Å; W414-M418 VanDerWaalsContact O-N 3.16Å; H415-M418 PolarHBondContact O-N 3.34Å; L416-M418 PolarHBondContact O-N 2.91Å; M418-L421 PolarHBondContact O-N 2.96Å; M418-L422 HydrophobicContact CG-CD1 4.38Å; M418-L422 WeakPolarHBondContact O-CB 3.44Å; M418-L422 VanDerWaalsContact O-CG 3.28Å; M418-L422 WeakPolarHBondContact O-CG 3.48Å; M418-L422 PolarHBondContact O-N 3.31Å |
| 419 | L | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 177.3 | -177.6 | 68.3 | 0 | 0 | 0 | 111.7 | F314 L361 T365 F378 I385 H415 L416 L422 A423 | F314-L419 HydrophobicContact CB-CD2 4.34Å; F314-L419 HydrophobicContact CD1-CD2 4.18Å; F314-L419 HydrophobicContact CG-CD2 4.16Å; L361-L419 HydrophobicContact CD2-CD2 4.32Å; T365-L419 HydrophobicContact CG2-CD1 3.76Å; F378-L419 HydrophobicContact CE2-CD1 4.27Å; F378-L419 HydrophobicContact CZ-CD1 3.99Å; I385-L419 HydrophobicContact CD1-CB 4.11Å; I385-L419 HydrophobicContact CD1-CD1 4.19Å; H415-L419 VanDerWaalsContact O-CB 3.31Å; H415-L419 WeakPolarHBondContact O-CB 3.29Å; H415-L419 PolarHBondContact O-N 2.94Å; L416-L419 PolarHBondContact O-N 3.16Å; L416-L419 VanDerWaalsContact O-N 3.15Å; L419-L422 PolarHBondContact O-N 2.75Å; L419-A423 PolarHBondContact O-N 3.48Å |
| 420 | L | 95 | Very high | 91.8 | Very high | 14 Ų | 14 | 56.5 Ų | 56.5 | 7% | 0.073 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.3 | -39.6 | 177 | -67.6 | 175.5 | 0 | 0 | 0 | 111.7 | T169 A172 L315 L416 A423 L424 | T169-L420 HydrophobicContact CG2-CD1 4.37Å; A172-L420 HydrophobicContact CB-CD1 4.11Å; L315-L420 HydrophobicContact CD1-CD1 4.48Å; L416-L420 HydrophobicContact CD1-CD1 4.03Å; L416-L420 HydrophobicContact CD1-CG 4.1Å; L416-L420 HydrophobicContact CG-CD1 4.14Å; L416-L420 WeakPolarHBondContact O-CG 3.39Å; L416-L420 PolarHBondContact O-N 2.75Å; L420-A423 WeakPolarHBondContact O-CB 3.42Å; L420-A423 PolarHBondContact O-N 3.31Å; L420-L424 WeakPolarHBondContact O-CG 3.47Å; L420-L424 PolarHBondContact O-N 2.92Å |
| 421 | L | 95.3 | Very high | 89.2 | Confident | 107 Ų | 107 | 61.1 Ų | 61.1 | 56% | 0.56 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -62.8 | -45.4 | 174.9 | -179.3 | 63.5 | 0 | 0 | 0 | 111.6 | P417 M418 A423 L424 T425 | P417-L421 VanDerWaalsContact O-CB 3.28Å; P417-L421 WeakPolarHBondContact O-CB 3.37Å; P417-L421 PolarHBondContact O-N 3.46Å; M418-L421 PolarHBondContact O-N 2.96Å; L421-A423 VanDerWaalsContact C-N 3.28Å; L421-A423 PolarHBondContact O-N 3.11Å; L421-L424 WeakPolarHBondContact O-CB 3.44Å; L421-L424 PolarHBondContact O-N 3.45Å; L421-T425 WeakPolarHBondContact O-CG2 3.28Å; L421-T425 PolarHBondContact O-N 3.28Å; L421-T425 PolarHBondContact O-OG1 3.02Å |
| 422 | L | 95.6 | Very high | 86.4 | Confident | 31 Ų | 31 | 65.2 Ų | 65.2 | 16% | 0.162 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.3 | -34.9 | 175.9 | -69.9 | 175.1 | 0 | 0 | 0 | 112.2 | F378 V381 I385 M418 L419 T425 C426 | F378-L422 HydrophobicContact CD2-CB 4.35Å; F378-L422 HydrophobicContact CE2-CB 4.12Å; V381-L422 HydrophobicContact CG2-CB 4.48Å; V381-L422 HydrophobicContact CG2-CD2 4.12Å; I385-L422 HydrophobicContact CD1-CD1 3.8Å; I385-L422 HydrophobicContact CG1-CD1 4.46Å; M418-L422 HydrophobicContact CG-CD1 4.38Å; M418-L422 WeakPolarHBondContact O-CB 3.44Å; M418-L422 VanDerWaalsContact O-CG 3.28Å; M418-L422 WeakPolarHBondContact O-CG 3.48Å; M418-L422 PolarHBondContact O-N 3.31Å; L419-L422 PolarHBondContact O-N 2.75Å; L422-T425 WeakPolarHBondContact CA-OG1 3.36Å; L422-T425 PolarHBondContact O-OG1 3.3Å; L422-T425 VanDerWaalsContact O-OG1 3.06Å; L422-C426 WeakPolarHBondContact O-CB 3.48Å; L422-C426 PolarHBondContact O-N 2.95Å; L422-C426 VanDerWaalsContact O-N 3.15Å; L422-C426 PolarHBondContact O-SG 3.21Å |
| 423 | A | 94.5 | Very high | 83.8 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | M176 F378 L419 L420 L421 C426 K427 | M176-A423 HydrophobicContact CE-CB 4.19Å; M176-A423 HydrophobicContact SD-CB 4.15Å; F378-A423 HydrophobicContact CD2-CB 4.27Å; F378-A423 VanDerWaalsContact CE2-CA 3.4Å; F378-A423 HydrophobicContact CE2-CB 3.62Å; F378-A423 VanDerWaalsContact CE2-N 3.34Å; F378-A423 HydrophobicContact CZ-CB 3.81Å; L419-A423 PolarHBondContact O-N 3.48Å; L420-A423 WeakPolarHBondContact O-CB 3.42Å; L420-A423 PolarHBondContact O-N 3.31Å; L421-A423 VanDerWaalsContact C-N 3.28Å; L421-A423 PolarHBondContact O-N 3.11Å; A423-C426 CarbonylContact O-C 2.9Å; A423-C426 PolarHBondContact O-N 3.31Å; A423-K427 PolarHBondContact O-N 3.45Å; A423-K427 VanDerWaalsContact O-N 3.07Å |
| 424 | L | 93.3 | Very high | 81.3 | Confident | 54 Ų | 54 | 70.2 Ų | 70.2 | 28% | 0.283 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 176.9 | -74.9 | 164.9 | 0 | 0 | 0 | 112.6 | A175 M176 L420 L421 C426 K427 | A175-L424 HydrophobicContact CB-CD2 3.68Å; M176-L424 HydrophobicContact CG-CD2 3.73Å; M176-L424 HydrophobicContact CG-CG 4.22Å; M176-L424 HydrophobicContact SD-CB 4.32Å; M176-L424 HydrophobicContact SD-CD2 3.51Å; M176-L424 VanDerWaalsContact SD-CD2 3.51Å; M176-L424 HydrophobicContact SD-CG 3.79Å; L420-L424 WeakPolarHBondContact O-CG 3.47Å; L420-L424 PolarHBondContact O-N 2.92Å; L421-L424 WeakPolarHBondContact O-CB 3.44Å; L421-L424 PolarHBondContact O-N 3.45Å; L424-C426 PolarHBondContact O-N 2.97Å; L424-K427 WeakPolarHBondContact O-CB 3.43Å; L424-K427 PolarHBondContact O-N 3.23Å |
| 425 | T | 93.1 | Very high | 78.7 | Confident | 99 Ų | 99 | 71 Ų | 71 | 61% | 0.607 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -68.2 | -26.4 | 178.7 | 58.8 | 0 | 0 | 0 | 0 | 112.8 | L421 L422 | L421-T425 WeakPolarHBondContact O-CG2 3.28Å; L421-T425 PolarHBondContact O-N 3.28Å; L421-T425 PolarHBondContact O-OG1 3.02Å; L422-T425 WeakPolarHBondContact CA-OG1 3.36Å; L422-T425 PolarHBondContact O-OG1 3.3Å; L422-T425 VanDerWaalsContact O-OG1 3.06Å |
| 426 | C | 92.3 | Very high | 76.1 | Confident | 14 Ų | 14 | 75.7 Ų | 75.7 | 10% | 0.095 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 9.1 | 176.9 | -59.1 | 0 | 0 | 0 | 0 | 113.1 | T374 T375 F378 L422 A423 L424 K428 | T374-C426 CarbonylContact C-O 3.51Å; T374-C426 VanDerWaalsContact CA-O 3.3Å; T374-C426 WeakPolarHBondContact CA-O 3.32Å; T374-C426 WeakPolarHBondContact CB-O 3.49Å; T375-C426 PolarHBondContact N-O 2.82Å; T375-C426 PolarHBondContact OG1-O 3.5Å; F378-C426 HydrophobicContact CB-CB 3.65Å; F378-C426 HydrophobicContact CD2-CB 4.32Å; F378-C426 HydrophobicContact CG-CB 4.38Å; L422-C426 WeakPolarHBondContact O-CB 3.48Å; L422-C426 PolarHBondContact O-N 2.95Å; L422-C426 VanDerWaalsContact O-N 3.15Å; L422-C426 PolarHBondContact O-SG 3.21Å; A423-C426 CarbonylContact O-C 2.9Å; A423-C426 PolarHBondContact O-N 3.31Å; L424-C426 PolarHBondContact O-N 2.97Å; C426-K428 PolarHBondContact O-N 3.45Å |
| 427 | K | 90.6 | Very high | 73.6 | Confident | 36 Ų | 36 | 79.3 Ų | 79.3 | 16% | 0.157 | 45% | 0.454 | C | S | . | . | B | Isolated β-bridge | trans | -57.9 | 134 | -178.9 | -177.9 | -176.1 | 177.4 | -177 | 0 | 110.4 | A175 M176 A177 A423 L424 | A175-K427 PolarHBondContact O-NZ 3.37Å; M176-K427 VanDerWaalsContact O-CE 3.31Å; M176-K427 WeakPolarHBondContact O-CE 3.3Å; M176-K427 HydrophobicContact SD-CB 4.46Å; A177-K427 WeakPolarHBondContact O-CE 3.47Å; A177-K427 PolarHBondContact O-NZ 3.15Å; A423-K427 PolarHBondContact O-N 3.45Å; A423-K427 VanDerWaalsContact O-N 3.07Å; L424-K427 WeakPolarHBondContact O-CB 3.43Å; L424-K427 PolarHBondContact O-N 3.23Å |
| 428 | K | 84 | Confident | 70.8 | Confident | 94 Ų | 94 | 80.2 Ų | 80.2 | 41% | 0.409 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -81.5 | 121.4 | 173.5 | -166.7 | 173.4 | 177.1 | 178.3 | 0 | 108.5 | D372 I373 C426 | D372-K428 IonicContact OD1-NZ 3.07Å; D372-K428 PolarHBondContact OD1-NZ 2.92Å; I373-K428 PolarHBondContact O-N 3.06Å; I373-K428 VanDerWaalsContact O-N 3.13Å; C426-K428 PolarHBondContact O-N 3.45Å |
| 429 | Y | 74.3 | Confident | 68.1 | Low | 192 Ų | 192 | 81.6 Ų | 81.6 | 75% | 0.753 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -77.2 | 125 | 170 | -67.4 | -91 | 0 | 0 | 0 | 107.9 | R431 | Y429-R431 PolarHBondContact O-N 3.04Š|
| 430 | S | 57.8 | Low | 65.4 | Low | 86 Ų | 86 | 89.8 Ų | 89.8 | 60% | 0.601 | 53% | 0.525 | S | S | * | . | trans | -54.6 | 115.5 | 170.7 | -66.4 | 0 | 0 | 0 | 0 | 108.3 | S432 | S430-S432 PolarHBondContact O-N 2.85Š| ||
| 431 | R | 44.3 | Very low | 62.8 | Low | 210 Ų | 210 | 95.4 Ų | 95.4 | 79% | 0.792 | 56% | 0.561 | S | S | * | * | trans | -60.3 | 133.7 | 171.1 | -88 | -179.7 | 172.2 | 158.4 | -2.4 | 108.3 | Y429 | Y429-R431 PolarHBondContact O-N 3.04Š| ||
| 432 | S | 37.9 | Very low | 60.2 | Low | 90 Ų | 90 | 98.2 Ų | 98.2 | 63% | 0.629 | 58% | 0.575 | S | S | * | * | trans | -54.1 | 144.9 | 164.4 | -72 | 0 | 0 | 0 | 0 | 109.3 | S430 G434 D435 | S430-S432 PolarHBondContact O-N 2.85Å; S432-G434 PolarHBondContact O-N 3.46Å; S432-D435 PolarHBondContact O-N 3.29Å | ||
| 433 | P | 42.8 | Very low | 57.7 | Low | 131 Ų | 131 | 102.9 Ų | 102.9 | 85% | 0.851 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -57.5 | -6.7 | 177.4 | -22.9 | 31.8 | 0 | 0 | 0 | 115.4 | ||
| 434 | G | 40.9 | Very low | 55.3 | Low | 57 Ų | 57 | 108.5 Ų | 108.5 | 59% | 0.588 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -78.4 | -18.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | S432 | S432-G434 PolarHBondContact O-N 3.46Š|
| 435 | D | 41.9 | Very low | 52.9 | Low | 120 Ų | 120 | 111.5 Ų | 111.5 | 64% | 0.642 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -89.5 | -0.6 | -175.6 | -71.4 | -15 | 0 | 0 | 0 | 113.7 | S432 | S432-D435 PolarHBondContact O-N 3.29Š|
| 436 | A | 43 | Very low | 50.7 | Low | 99 Ų | 99 | 110.9 Ų | 110.9 | 82% | 0.818 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -89.3 | -1.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 437 | A | 42.6 | Very low | 48.2 | Very low | 81 Ų | 81 | 123.5 Ų | 123.5 | 67% | 0.669 | 73% | 0.725 | S | S | * | * | trans | -123.4 | 55.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P439 | A437-P439 WeakPolarHBondContact O-CD 3.38Š| ||
| 438 | A | 34.2 | Very low | 46.1 | Very low | 88 Ų | 88 | 127.9 Ų | 127.9 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | -101.4 | 95.1 | 153.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | L440 | A438-L440 PolarHBondContact O-N 3.42Š| ||
| 439 | P | 40.3 | Very low | 44.1 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | trans | -61 | 129.5 | 172.5 | 24.9 | -30.6 | 0 | 0 | 0 | 108.2 | A437 T441 | A437-P439 WeakPolarHBondContact O-CD 3.38Å; P439-T441 PolarHBondContact O-N 2.9Å | ||
| 440 | L | 40.8 | Very low | 42.4 | Very low | 171 Ų | 171 | 126.2 Ų | 126.2 | 90% | 0.895 | 77% | 0.772 | S | S | * | * | trans | -46.9 | 105.9 | 164.1 | -81 | 153.7 | 0 | 0 | 0 | 107.7 | A438 L442 | A438-L440 PolarHBondContact O-N 3.42Å; L440-L442 VanDerWaalsContact C-N 3.33Å; L440-L442 PolarHBondContact O-N 2.89Å | ||
| 441 | T | 39.2 | Very low | 41.5 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | trans | -62.1 | 101.1 | 169.7 | 32.5 | 0 | 0 | 0 | 0 | 107.1 | P439 V443 | P439-T441 PolarHBondContact O-N 2.9Å; T441-V443 PolarHBondContact O-N 3.26Å; T441-V443 VanDerWaalsContact O-N 3.07Å | ||
| 442 | L | 40.5 | Very low | 41.3 | Very low | 165 Ų | 165 | 123.4 Ų | 123.4 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | -52 | 111.9 | 163 | -80.2 | 159.5 | 0 | 0 | 0 | 107.6 | L440 P444 | L440-L442 VanDerWaalsContact C-N 3.33Å; L440-L442 PolarHBondContact O-N 2.89Å; L442-P444 WeakPolarHBondContact O-CD 3.35Å | ||
| 443 | V | 44.1 | Very low | 41.6 | Very low | 129 Ų | 129 | 125.7 Ų | 125.7 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | trans | -58 | 119.4 | 161.9 | 175.4 | 0 | 0 | 0 | 0 | 106.9 | T441 S445 | T441-V443 PolarHBondContact O-N 3.26Å; T441-V443 VanDerWaalsContact O-N 3.07Å; V443-S445 PolarHBondContact O-N 3.07Å | ||
| 444 | P | 43.8 | Very low | 41.5 | Very low | 118 Ų | 118 | 125.3 Ų | 125.3 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | trans | -74.8 | 113.8 | 165.3 | 3.4 | 14.1 | 0 | 0 | 0 | 106.9 | L442 | L442-P444 WeakPolarHBondContact O-CD 3.35Š| ||
| 445 | S | 42.7 | Very low | 41.5 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -79.2 | 153 | 157.7 | -157.9 | 0 | 0 | 0 | 0 | 108.8 | V443 | V443-S445 PolarHBondContact O-N 3.07Š| ||
| 446 | A | 46.3 | Very low | 41.5 | Very low | 86 Ų | 86 | 131.4 Ų | 131.4 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | trans | 88.5 | 129.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 447 | K | 40.3 | Very low | 41.3 | Very low | 279 Ų | 279 | 134.4 Ų | 134.4 | 100% | 1.213 | 82% | 0.817 | S | S | * | * | cis | -159.4 | 0 | 11.3 | -121.1 | 174.1 | -171.9 | -178 | 0 | 108.7 |
Retrieved 447 of 447 residues in 241.2 ms
(Link to these results)