| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.5 | Very low | 37.1 | Very low | 249 Ų | 249 | 148 Ų | 148 | 100% | 1.227 | 87% | 0.868 | S | S | * | * | 0 | 140.2 | 0 | -84.1 | 174.2 | 166 | 0 | 0 | 107.3 | |||||
| 2 | A | 37.9 | Very low | 37.2 | Very low | 104 Ų | 104 | 148.4 Ų | 148.4 | 86% | 0.86 | 86% | 0.861 | S | S | * | * | trans | -66.2 | 136.8 | -147.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 3 | D | 32.4 | Very low | 36.9 | Very low | 152 Ų | 152 | 145.5 Ų | 145.5 | 81% | 0.813 | 85% | 0.851 | S | S | * | * | trans | -86.7 | 125.1 | 161.5 | -89.9 | -43.6 | 0 | 0 | 0 | 109.9 | ||||
| 4 | C | 35.8 | Very low | 36.8 | Very low | 130 Ų | 130 | 145.4 Ų | 145.4 | 88% | 0.878 | 85% | 0.852 | S | S | * | * | trans | -92.2 | 100.9 | -176.5 | -169.8 | 0 | 0 | 0 | 0 | 109.6 | R6 | C4-R6 PolarHBondContact O-N 3.37Š| ||
| 5 | H | 40.8 | Very low | 37.3 | Very low | 181 Ų | 181 | 144.3 Ų | 144.3 | 84% | 0.838 | 85% | 0.848 | S | S | * | * | trans | -75.2 | 115.2 | 172.9 | -77.7 | -68 | 0 | 0 | 0 | 111.2 | G7 | H5-G7 PolarHBondContact O-N 3.37Š| ||
| 6 | R | 40.6 | Very low | 37.3 | Very low | 245 Ų | 245 | 142.3 Ų | 142.3 | 93% | 0.925 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 120.5 | 173.2 | -158.6 | 179.3 | -157 | -169.6 | 4.6 | 109.3 | C4 S8 | C4-R6 PolarHBondContact O-N 3.37Å; R6-S8 PolarHBondContact O-N 2.79Å |
| 7 | G | 34.6 | Very low | 37.1 | Very low | 74 Ų | 74 | 143.5 Ų | 143.5 | 76% | 0.763 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 130.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | H5 | H5-G7 PolarHBondContact O-N 3.37Š|
| 8 | S | 38.1 | Very low | 37.4 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 88% | 0.881 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 121.5 | 174.3 | -166.9 | 0 | 0 | 0 | 0 | 109.5 | R6 | R6-S8 PolarHBondContact O-N 2.79Š|
| 9 | A | 37.1 | Very low | 37.2 | Very low | 86 Ų | 86 | 140.9 Ų | 140.9 | 71% | 0.711 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 136.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | E11 | A9-E11 PolarHBondContact O-N 2.96Š|
| 10 | A | 37.8 | Very low | 37.1 | Very low | 96 Ų | 96 | 143.2 Ų | 143.2 | 79% | 0.793 | 85% | 0.849 | S | S | * | * | trans | -77 | 112.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 11 | E | 36.5 | Very low | 36.9 | Very low | 185 Ų | 185 | 142.5 Ų | 142.5 | 86% | 0.864 | 84% | 0.841 | S | S | * | * | trans | -76.5 | 125.8 | 168.4 | -68.9 | -178 | 164.9 | 0 | 0 | 109.1 | A9 P13 | A9-E11 PolarHBondContact O-N 2.96Å; E11-P13 WeakPolarHBondContact O-CD 3.4Å | ||
| 12 | I | 38.6 | Very low | 36.8 | Very low | 153 Ų | 153 | 138.3 Ų | 138.3 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | -92.2 | 115 | 175.6 | -56.4 | 172.5 | 0 | 0 | 0 | 107.4 | V14 | I12-V14 PolarHBondContact O-N 3.39Š| ||
| 13 | P | 33.9 | Very low | 36.6 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 72% | 0.721 | 81% | 0.812 | S | S | * | * | trans | -74.5 | 124.1 | 175.3 | 27.7 | -30 | 0 | 0 | 0 | 110.3 | E11 T15 | E11-P13 WeakPolarHBondContact O-CD 3.4Å; P13-T15 PolarHBondContact O-N 3.41Å | ||
| 14 | V | 35.3 | Very low | 37 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | trans | -82.3 | 109.8 | 171.8 | 177.4 | 0 | 0 | 0 | 0 | 108.1 | I12 | I12-V14 PolarHBondContact O-N 3.39Š| ||
| 15 | T | 43.3 | Very low | 36.8 | Very low | 129 Ų | 129 | 137.7 Ų | 137.7 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -92.3 | 121.8 | 173.1 | 56.1 | 0 | 0 | 0 | 0 | 110.6 | P13 | P13-T15 PolarHBondContact O-N 3.41Š| ||
| 16 | S | 37.1 | Very low | 36.5 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | trans | -66.1 | 155 | 169.8 | -177.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 17 | N | 35 | Very low | 36.3 | Very low | 163 Ų | 163 | 132.8 Ų | 132.8 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -45.7 | 136.5 | -172.2 | -67.2 | -29.5 | 0 | 0 | 0 | 116.4 | ||
| 18 | G | 43 | Very low | 36 | Very low | 71 Ų | 71 | 138.6 Ų | 138.6 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | trans | 92.1 | 76.7 | 140.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 19 | D | 32.6 | Very low | 35.7 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | trans | -158.9 | 120.7 | 142 | -100.7 | -25.5 | 0 | 0 | 0 | 108.1 | ||||
| 20 | L | 35.7 | Very low | 35.3 | Very low | 185 Ų | 185 | 147.8 Ų | 147.8 | 97% | 0.969 | 81% | 0.814 | S | S | * | * | trans | -123.5 | 91.3 | 167.9 | -91.9 | 167.6 | 0 | 0 | 0 | 106.7 | ||||
| 21 | D | 33.6 | Very low | 34.8 | Very low | 130 Ų | 130 | 148.1 Ų | 148.1 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | trans | -116.6 | 138.8 | 158 | -158.7 | 18.9 | 0 | 0 | 0 | 109.7 | ||||
| 22 | Q | 33.6 | Very low | 34.4 | Very low | 160 Ų | 160 | 145.5 Ų | 145.5 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | 76 | 104 | 162.9 | -40.7 | -164.5 | 21.5 | 0 | 0 | 119.7 | ||||
| 23 | S | 34.4 | Very low | 33.9 | Very low | 104 Ų | 104 | 146.4 Ų | 146.4 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -0 | 132.9 | 145.9 | -179.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 24 | P | 39.8 | Very low | 33.6 | Very low | 114 Ų | 114 | 147 Ų | 147 | 74% | 0.74 | 81% | 0.812 | S | S | * | * | trans | -124.7 | 76.5 | 161.5 | 38.7 | -22.9 | 0 | 0 | 0 | 112.7 | K26 | P24-K26 VanDerWaalsContact C-N 3.35Š| ||
| 25 | D | 31 | Very low | 33.3 | Very low | 155 Ų | 155 | 144.7 Ų | 144.7 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | trans | -96 | 51.9 | 159.9 | -89.4 | -21.7 | 0 | 0 | 0 | 110.8 | ||||
| 26 | K | 35.9 | Very low | 33.3 | Very low | 201 Ų | 201 | 144.1 Ų | 144.1 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -157.1 | 70.5 | 167.1 | -74.1 | -158.6 | -179.5 | 178.4 | 0 | 112.5 | P24 | P24-K26 VanDerWaalsContact C-N 3.35Š| ||
| 27 | V | 34.9 | Very low | 33.6 | Very low | 122 Ų | 122 | 144.6 Ų | 144.6 | 74% | 0.739 | 81% | 0.807 | S | S | * | * | trans | -143.5 | 94.2 | 154.1 | -177.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 28 | F | 29.7 | Very low | 33.2 | Very low | 197 Ų | 197 | 140.8 Ų | 140.8 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | S | Bend | trans | 163.8 | 96 | 147.6 | -88.5 | -64.4 | 0 | 0 | 0 | 107.8 | ||
| 29 | L | 31.4 | Very low | 32.5 | Very low | 185 Ų | 185 | 142.3 Ų | 142.3 | 97% | 0.969 | 81% | 0.805 | S | S | * | * | trans | 167.6 | 98.9 | 144.1 | -91.8 | 153.9 | 0 | 0 | 0 | 107.7 | ||||
| 30 | R | 28.8 | Very low | 32.3 | Very low | 219 Ų | 219 | 142.2 Ų | 142.2 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -126.3 | 134.6 | 163.6 | -148.3 | -159.9 | 167.5 | 144.7 | 2.3 | 109.2 | ||||
| 31 | D | 27.3 | Very low | 32 | Very low | 104 Ų | 104 | 142 Ų | 142 | 56% | 0.556 | 79% | 0.793 | S | S | * | * | trans | 87.7 | 100.8 | 158.7 | -55.9 | -33.6 | 0 | 0 | 0 | 119.8 | ||||
| 32 | S | 26.9 | Very low | 31.9 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | -148.4 | 109.6 | 132.4 | -72.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 33 | H | 29.1 | Very low | 31.8 | Very low | 171 Ų | 171 | 139.7 Ų | 139.7 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | trans | -95.7 | 130.6 | 173.3 | -78.7 | -78.6 | 0 | 0 | 0 | 110.4 | ||||
| 34 | S | 27.5 | Very low | 31.5 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | -166.1 | 143.2 | 136.5 | 59.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 35 | A | 29.5 | Very low | 31.1 | Very low | 94 Ų | 94 | 142.6 Ų | 142.6 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | trans | -132.8 | -174.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 36 | P | 43.2 | Very low | 30.9 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | cis | -135.6 | -139.8 | -17.8 | 32.9 | -7.6 | 0 | 0 | 0 | 110.9 | ||||
| 37 | P | 42.3 | Very low | 30.6 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | -117.7 | 165 | -70.3 | 29.8 | -11.3 | 0 | 0 | 0 | 113.9 | |||||
| 38 | G | 27.7 | Very low | 30.3 | Very low | 82 Ų | 82 | 136.3 Ų | 136.3 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -163.1 | 136.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 39 | S | 28.3 | Very low | 30.2 | Very low | 103 Ų | 103 | 131.6 Ų | 131.6 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | trans | -84.9 | 159.7 | -163.3 | 54.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 40 | M | 27.6 | Very low | 30.1 | Very low | 165 Ų | 165 | 128.4 Ų | 128.4 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | 66.7 | 145 | 155.2 | -69.5 | 171.2 | 95.5 | 0 | 0 | 115.4 | ||||
| 41 | K | 29.7 | Very low | 30.1 | Very low | 181 Ų | 181 | 123.1 Ų | 123.1 | 79% | 0.787 | 79% | 0.79 | S | S | * | * | cis | -168.7 | 150 | 39.7 | -140.3 | 170.8 | -170.2 | -175.5 | 0 | 109.5 | ||||
| 42 | V | 31.5 | Very low | 30.2 | Very low | 125 Ų | 125 | 128 Ų | 128 | 76% | 0.758 | 81% | 0.807 | S | S | * | * | trans | -61.6 | 146.3 | 165.6 | -176.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 43 | S | 31.4 | Very low | 30.3 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -146.2 | 114.7 | 160.4 | -67.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 44 | D | 27.8 | Very low | 30.5 | Very low | 157 Ų | 157 | 124.9 Ų | 124.9 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | trans | -61.4 | 147.1 | 160.4 | -72.6 | -52.3 | 0 | 0 | 0 | 111.1 | ||||
| 45 | S | 31.1 | Very low | 31 | Very low | 122 Ų | 122 | 124.6 Ų | 124.6 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -144.4 | 106.9 | 155 | 63.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 46 | S | 28 | Very low | 31.5 | Very low | 103 Ų | 103 | 125.5 Ų | 125.5 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | trans | -82.2 | 165.6 | 169.5 | 49.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 47 | V | 29.6 | Very low | 31 | Very low | 131 Ų | 131 | 128.5 Ų | 128.5 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | 87.6 | 129.1 | 159.4 | -162.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 48 | S | 27.2 | Very low | 30.4 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | cis | -157.3 | 160.8 | 25.7 | -132.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 49 | A | 28.6 | Very low | 30.5 | Very low | 99 Ų | 99 | 129.3 Ų | 129.3 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -68.4 | 146.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 50 | S | 29.5 | Very low | 30.8 | Very low | 117 Ų | 117 | 132 Ų | 132 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -124.3 | 114.9 | 158.4 | 62 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 51 | S | 29.1 | Very low | 31 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | -49.9 | 132.3 | 172 | 48 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 52 | F | 29.1 | Very low | 31.2 | Very low | 208 Ų | 208 | 129.2 Ų | 129.2 | 91% | 0.912 | 80% | 0.795 | S | S | * | * | trans | -132.7 | 129 | 152.1 | -137.9 | -94.4 | 0 | 0 | 0 | 110.3 | ||||
| 53 | V | 27.9 | Very low | 31.2 | Very low | 124 Ų | 124 | 126.4 Ų | 126.4 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 132.6 | -170.6 | 167.7 | 0 | 0 | 0 | 0 | 110 | ||
| 54 | S | 33.5 | Very low | 31.3 | Very low | 110 Ų | 110 | 127 Ų | 127 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 138.6 | 165.1 | -57.5 | 0 | 0 | 0 | 0 | 109.9 | ||
| 55 | P | 39.3 | Very low | 31.4 | Very low | 119 Ų | 119 | 129 Ų | 129 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -89 | 162.1 | 167.7 | 35.3 | -29.7 | 0 | 0 | 0 | 111.8 | ||
| 56 | P | 40.1 | Very low | 31.4 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 158 | -157.1 | 37.8 | -33 | 0 | 0 | 0 | 115.1 | ||
| 57 | E | 31.4 | Very low | 31.3 | Very low | 180 Ų | 180 | 134.6 Ų | 134.6 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | 39.6 | 128.9 | 148.6 | -70.7 | -179.2 | 136.3 | 0 | 0 | 122 | ||||
| 58 | G | 29.5 | Very low | 31.3 | Very low | 79 Ų | 79 | 134.2 Ų | 134.2 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | trans | -150.9 | 95.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 59 | I | 30.8 | Very low | 31.6 | Very low | 145 Ų | 145 | 133.9 Ų | 133.9 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | trans | -73.2 | 125.3 | 167.9 | -73.1 | 160.6 | 0 | 0 | 0 | 108.5 | ||||
| 60 | I | 34.3 | Very low | 31.7 | Very low | 158 Ų | 158 | 134.8 Ų | 134.8 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -138.8 | 110.1 | 153.7 | -54.8 | -179.7 | 0 | 0 | 0 | 108.8 | ||||
| 61 | E | 31.3 | Very low | 32 | Very low | 179 Ų | 179 | 137.3 Ų | 137.3 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | -80.6 | 135.1 | 164.8 | -178.6 | -179.8 | -173.3 | 0 | 0 | 109.3 | ||||
| 62 | S | 33.7 | Very low | 32.2 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -156.8 | 122.7 | 162.8 | -65.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 63 | G | 31.3 | Very low | 32.3 | Very low | 66 Ų | 66 | 133.5 Ų | 133.5 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | trans | -77.5 | -159.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 64 | P | 35.5 | Very low | 32.4 | Very low | 129 Ų | 129 | 133 Ų | 133 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -94.9 | 141.5 | -139.6 | 35.7 | -34.4 | 0 | 0 | 0 | 114.3 | ||||
| 65 | H | 28.9 | Very low | 32.5 | Very low | 199 Ų | 199 | 133.4 Ų | 133.4 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -106.7 | 133.7 | 166.4 | -80.8 | -68.5 | 0 | 0 | 0 | 111.7 | ||||
| 66 | K | 31.3 | Very low | 32.1 | Very low | 182 Ų | 182 | 134.6 Ų | 134.6 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -99.7 | 138.8 | -173 | -156.8 | -178.2 | -177.8 | -171.5 | 0 | 110.1 | ||||
| 67 | E | 26.4 | Very low | 31.8 | Very low | 160 Ų | 160 | 133.7 Ų | 133.7 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | 49.4 | 123.9 | 156.7 | -79.5 | 171.5 | 137.5 | 0 | 0 | 120.8 | ||||
| 68 | S | 29.1 | Very low | 31.9 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | -165.2 | 127.5 | 116.2 | -85.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 69 | A | 32.6 | Very low | 32.1 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | trans | -71.2 | 141 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 70 | S | 30.6 | Very low | 32.2 | Very low | 117 Ų | 117 | 131.3 Ų | 131.3 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -154.5 | 114.5 | 149.6 | 44.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 71 | L | 35.9 | Very low | 32.2 | Very low | 170 Ų | 170 | 130 Ų | 130 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | trans | -74.8 | 154.6 | 165.7 | -74.3 | 155 | 0 | 0 | 0 | 109.5 | ||||
| 72 | P | 34.2 | Very low | 32.3 | Very low | 127 Ų | 127 | 127 Ų | 127 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -116.4 | 125 | 140.8 | 29.2 | -18.2 | 0 | 0 | 0 | 111 | ||||
| 73 | S | 30.1 | Very low | 33.1 | Very low | 110 Ų | 110 | 127.6 Ų | 127.6 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | -84.2 | 129.5 | 167.1 | 49.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 74 | S | 30.8 | Very low | 33.5 | Very low | 112 Ų | 112 | 128.6 Ų | 128.6 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | trans | 173.3 | 153.8 | 131.5 | -88.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 75 | P | 35.3 | Very low | 33.5 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | trans | -91.8 | 139.6 | -152 | 34.6 | -31.8 | 0 | 0 | 0 | 113 | ||||
| 76 | V | 31.1 | Very low | 33.9 | Very low | 144 Ų | 144 | 123.8 Ų | 123.8 | 87% | 0.873 | 81% | 0.806 | S | S | * | * | trans | -87.3 | 111.6 | 168.4 | -175.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 77 | S | 34.1 | Very low | 34.2 | Very low | 93 Ų | 93 | 120.7 Ų | 120.7 | 65% | 0.65 | 81% | 0.807 | S | S | * | * | trans | -75.8 | 143 | 166.6 | 40.3 | 0 | 0 | 0 | 0 | 110.5 | V79 | S77-V79 PolarHBondContact O-N 2.68Š| ||
| 78 | P | 33.8 | Very low | 34.9 | Very low | 128 Ų | 128 | 124 Ų | 124 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | trans | -80.2 | 114.5 | 179.9 | 30.6 | -29.9 | 0 | 0 | 0 | 109.7 | A80 | P78-A80 PolarHBondContact O-N 2.86Š| ||
| 79 | V | 32.6 | Very low | 35.1 | Very low | 139 Ų | 139 | 126.8 Ų | 126.8 | 84% | 0.842 | 82% | 0.817 | S | S | * | * | trans | -80.1 | 115.1 | 170.4 | 178.1 | 0 | 0 | 0 | 0 | 108.5 | S77 | S77-V79 PolarHBondContact O-N 2.68Š| ||
| 80 | A | 33.3 | Very low | 35.3 | Very low | 87 Ų | 87 | 126 Ų | 126 | 72% | 0.719 | 81% | 0.81 | S | S | * | * | trans | -62.2 | 140.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | P78 S82 | P78-A80 PolarHBondContact O-N 2.86Å; A80-S82 PolarHBondContact O-N 2.86Å | ||
| 81 | S | 34.8 | Very low | 35.5 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | trans | -69.6 | 116.5 | 168.5 | -45.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 82 | S | 34.1 | Very low | 35.1 | Very low | 115 Ų | 115 | 129.3 Ų | 129.3 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -112.2 | 114.1 | 170.1 | -172.3 | 0 | 0 | 0 | 0 | 110.7 | A80 A84 | A80-S82 PolarHBondContact O-N 2.86Å; S82-A84 PolarHBondContact O-N 3.11Å | ||
| 83 | S | 48.7 | Very low | 35.1 | Very low | 122 Ų | 122 | 133 Ų | 133 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -69.1 | 110.2 | 171.8 | 154.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 84 | A | 41.3 | Very low | 35.3 | Very low | 87 Ų | 87 | 133.6 Ų | 133.6 | 72% | 0.719 | 82% | 0.816 | S | S | * | * | trans | -158.6 | 67.4 | 166 | 0 | 0 | 0 | 0 | 0 | 112.8 | S82 | S82-A84 PolarHBondContact O-N 3.11Š| ||
| 85 | V | 33.9 | Very low | 35.4 | Very low | 132 Ų | 132 | 136 Ų | 136 | 80% | 0.8 | 82% | 0.82 | S | S | * | * | trans | -139.9 | 67.6 | 160.6 | -163 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 86 | A | 37.8 | Very low | 35.3 | Very low | 95 Ų | 95 | 135.5 Ų | 135.5 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -134.6 | 77.3 | 159.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||
| 87 | S | 37.9 | Very low | 35.5 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | 168.1 | 76.7 | 160.8 | -78.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 88 | R | 40.5 | Very low | 35.4 | Very low | 231 Ų | 231 | 138.7 Ų | 138.7 | 87% | 0.872 | 83% | 0.833 | S | S | * | * | trans | -144.6 | 51.1 | 168.7 | -75.4 | -162 | 174.7 | -152.3 | -1.2 | 113.2 | ||||
| 89 | L | 34.7 | Very low | 35.2 | Very low | 180 Ų | 180 | 140.7 Ų | 140.7 | 94% | 0.942 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -135 | 64.3 | 161.6 | -77.4 | 176.5 | 0 | 0 | 0 | 110.4 | ||
| 90 | A | 36.8 | Very low | 35.1 | Very low | 88 Ų | 88 | 139.6 Ų | 139.6 | 73% | 0.727 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -175.9 | 135.6 | 150.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||
| 91 | R | 33.8 | Very low | 34.8 | Very low | 256 Ų | 256 | 139.2 Ų | 139.2 | 97% | 0.966 | 84% | 0.84 | S | S | * | * | trans | 85.8 | 93.6 | 175.9 | -56.7 | 179.2 | 176.7 | 131.9 | -1.3 | 115.7 | ||||
| 92 | S | 28.4 | Very low | 34.7 | Very low | 102 Ų | 102 | 139.1 Ų | 139.1 | 71% | 0.713 | 83% | 0.834 | S | S | * | * | trans | -127.5 | 126.3 | 130.8 | -171.1 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 93 | F | 33.7 | Very low | 34.7 | Very low | 205 Ų | 205 | 140.7 Ų | 140.7 | 90% | 0.899 | 83% | 0.83 | S | S | * | * | trans | 154.8 | 108.3 | 152.5 | -74.4 | -54.2 | 0 | 0 | 0 | 107.8 | ||||
| 94 | S | 34.4 | Very low | 33.8 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 85% | 0.846 | 83% | 0.828 | S | S | * | * | trans | 136 | 101.3 | 147.3 | -153.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 95 | D | 32 | Very low | 33.5 | Very low | 163 Ų | 163 | 145.1 Ų | 145.1 | 87% | 0.872 | 83% | 0.832 | S | S | * | * | trans | -99.1 | 121.2 | 167.7 | -126.3 | -12.2 | 0 | 0 | 0 | 107.5 | ||||
| 96 | S | 33.6 | Very low | 33.7 | Very low | 110 Ų | 110 | 144.7 Ų | 144.7 | 77% | 0.769 | 83% | 0.832 | S | S | * | * | trans | -167.3 | 112.1 | 161.9 | -66.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 97 | Q | 36.4 | Very low | 34.3 | Very low | 199 Ų | 199 | 146.5 Ų | 146.5 | 93% | 0.93 | 84% | 0.835 | S | S | * | * | trans | -64.9 | 140.6 | 167.2 | -83 | 177.6 | -10.1 | 0 | 0 | 111.3 | ||||
| 98 | A | 31.4 | Very low | 33.9 | Very low | 105 Ų | 105 | 144.7 Ų | 144.7 | 87% | 0.868 | 84% | 0.835 | S | S | * | * | trans | -158.6 | 135.2 | 142.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 99 | D | 29.1 | Very low | 33.5 | Very low | 169 Ų | 169 | 139.9 Ų | 139.9 | 90% | 0.904 | 84% | 0.837 | S | S | * | * | trans | -75.1 | 150.2 | -177.9 | -159.4 | 6.1 | 0 | 0 | 0 | 111.8 | ||||
| 100 | S | 30.8 | Very low | 33.6 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -113.9 | 112.8 | -177.5 | 62.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 101 | G | 27.7 | Very low | 33.4 | Very low | 79 Ų | 79 | 134.9 Ų | 134.9 | 81% | 0.814 | 83% | 0.828 | S | S | * | * | trans | -119.7 | 135.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 102 | T | 32.3 | Very low | 33.9 | Very low | 128 Ų | 128 | 129.3 Ų | 129.3 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | -80.4 | 155.2 | -167.5 | -29.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 103 | M | 32.5 | Very low | 34.5 | Very low | 148 Ų | 148 | 129.8 Ų | 129.8 | 73% | 0.729 | 82% | 0.821 | S | S | * | * | trans | 120.1 | 124.6 | 137.6 | -74.3 | -107.6 | 145 | 0 | 0 | 119.9 | ||||
| 104 | Q | 31.8 | Very low | 34.9 | Very low | 174 Ų | 174 | 127.3 Ų | 127.3 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | trans | 88.7 | 122.7 | 138 | -73.6 | 172.3 | 11.3 | 0 | 0 | 122.4 | ||||
| 105 | T | 33.8 | Very low | 35.2 | Very low | 129 Ų | 129 | 126.7 Ų | 126.7 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | trans | -71.2 | 160.4 | 166.4 | 46.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 106 | P | 38.8 | Very low | 35.9 | Very low | 123 Ų | 123 | 126.2 Ų | 126.2 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | -145 | 176.1 | 89 | 28.7 | -5.3 | 0 | 0 | 0 | 115.2 | |||||
| 107 | P | 49.2 | Very low | 36.8 | Very low | 133 Ų | 133 | 127.2 Ų | 127.2 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | -101.4 | 154.4 | -150.7 | 38.1 | -32 | 0 | 0 | 0 | 114.9 | ||||
| 108 | G | 29.9 | Very low | 37.6 | Very low | 78 Ų | 78 | 125.7 Ų | 125.7 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -159.1 | 114.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 109 | S | 32.9 | Very low | 39 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | trans | -25.6 | 136.1 | 172.3 | -157.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 110 | G | 35.7 | Very low | 41.5 | Very low | 75 Ų | 75 | 122.7 Ų | 122.7 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | 90.2 | 82.6 | 134.4 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 111 | A | 32.4 | Very low | 44.2 | Very low | 87 Ų | 87 | 121 Ų | 121 | 72% | 0.719 | 75% | 0.753 | S | S | * | * | trans | -172.3 | 119.4 | 136.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | V113 | A111-V113 HydrophobicContact CB-CG2 4.5Å; A111-V113 PolarHBondContact O-N 2.9Å | ||
| 112 | V | 44.2 | Very low | 47 | Very low | 139 Ų | 139 | 120.1 Ų | 120.1 | 84% | 0.842 | 74% | 0.738 | S | S | * | * | trans | -69.9 | 90.4 | 166 | 176.9 | 0 | 0 | 0 | 0 | 106.6 | L114 | V112-L114 HydrophobicContact CG1-CG 4.44Å; V112-L114 PolarHBondContact O-N 3.18Å | ||
| 113 | V | 42.6 | Very low | 49.6 | Very low | 113 Ų | 113 | 119 Ų | 119 | 69% | 0.685 | 73% | 0.725 | S | S | * | * | trans | -78 | 103.7 | 161.2 | 178.1 | 0 | 0 | 0 | 0 | 105.3 | A111 S115 | A111-V113 HydrophobicContact CB-CG2 4.5Å; A111-V113 PolarHBondContact O-N 2.9Å; V113-S115 VanDerWaalsContact C-N 3.3Å; V113-S115 PolarHBondContact O-N 3.38Å | ||
| 114 | L | 41.7 | Very low | 52.4 | Low | 152 Ų | 152 | 117 Ų | 117 | 80% | 0.796 | 71% | 0.714 | S | S | * | * | trans | -58.9 | 101.4 | 160.5 | -70.6 | 166.2 | 0 | 0 | 0 | 106 | V112 D116 | V112-L114 HydrophobicContact CG1-CG 4.44Å; V112-L114 PolarHBondContact O-N 3.18Å; L114-D116 VanDerWaalsContact C-N 3.27Å; L114-D116 PolarHBondContact O-N 3.35Å | ||
| 115 | S | 40.6 | Very low | 55.2 | Low | 109 Ų | 109 | 115.9 Ų | 115.9 | 76% | 0.762 | 71% | 0.706 | S | S | * | * | trans | -66.8 | 95.8 | 167.3 | -59.2 | 0 | 0 | 0 | 0 | 107.3 | V113 | V113-S115 VanDerWaalsContact C-N 3.3Å; V113-S115 PolarHBondContact O-N 3.38Å | ||
| 116 | D | 47.1 | Very low | 58 | Low | 153 Ų | 153 | 114.2 Ų | 114.2 | 82% | 0.818 | 69% | 0.692 | S | S | * | * | trans | -56.7 | 139.9 | 159.7 | -113.9 | -21.5 | 0 | 0 | 0 | 109 | L114 | L114-D116 VanDerWaalsContact C-N 3.27Å; L114-D116 PolarHBondContact O-N 3.35Å | ||
| 117 | D | 51.8 | Low | 60.5 | Low | 130 Ų | 130 | 111.6 Ų | 111.6 | 70% | 0.695 | 67% | 0.671 | S | S | * | * | trans | 73.2 | 51.7 | 165.8 | -83 | -11.2 | 0 | 0 | 0 | 119.9 | K119 | D117-K119 VanDerWaalsContact C-N 3.26Å; D117-K119 PolarHBondContact O-N 2.96Å | ||
| 118 | L | 52.8 | Low | 62.5 | Low | 167 Ų | 167 | 111 Ų | 111 | 87% | 0.874 | 66% | 0.66 | S | S | * | * | trans | -78.8 | 82.5 | 141.9 | -159.2 | 74.5 | 0 | 0 | 0 | 108.4 | N120 | L118-N120 PolarHBondContact O-N 3.17Š| ||
| 119 | K | 61.7 | Low | 65.6 | Low | 130 Ų | 130 | 111.7 Ų | 111.7 | 57% | 0.565 | 65% | 0.648 | S | S | * | * | trans | -52.5 | 107.4 | 171 | -83.5 | 179.7 | -179.5 | 171 | 0 | 108.6 | D117 P121 | D117-K119 VanDerWaalsContact C-N 3.26Å; D117-K119 PolarHBondContact O-N 2.96Å; K119-P121 VanDerWaalsContact O-CD 3.32Å; K119-P121 WeakPolarHBondContact O-CD 3.07Å | ||
| 120 | N | 82.3 | Confident | 68.6 | Low | 81 Ų | 81 | 111.4 Ų | 111.4 | 43% | 0.433 | 63% | 0.627 | S | S | . | * | trans | -60 | 120.8 | -177.9 | 176.3 | 7.1 | 0 | 0 | 0 | 108.7 | L118 A122 M123 E124 | L118-N120 PolarHBondContact O-N 3.17Å; N120-A122 PolarHBondContact O-N 3.01Å; N120-A122 PolarHBondContact OD1-N 3.43Å; N120-M123 HydrophobicContact CB-CB 4.48Å; N120-M123 HydrophobicContact CB-CE 4.45Å; N120-M123 HydrophobicContact CB-CG 4.01Å; N120-M123 HydrophobicContact CB-SD 4.45Å; N120-M123 WeakPolarHBondContact O-CB 3.42Å; N120-M123 PolarHBondContact O-N 3.31Å; N120-E124 PolarHBondContact O-N 3.2Å | ||
| 121 | P | 85.6 | Confident | 71.2 | Confident | 83 Ų | 83 | 115 Ų | 115 | 54% | 0.539 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -54.2 | -25.6 | -179.8 | -28.2 | 35.2 | 0 | 0 | 0 | 113.9 | K119 K125 | K119-P121 VanDerWaalsContact O-CD 3.32Å; K119-P121 WeakPolarHBondContact O-CD 3.07Å; P121-K125 WeakPolarHBondContact O-CG 3.45Å; P121-K125 PolarHBondContact O-N 3.28Å |
| 122 | A | 86.5 | Confident | 74.2 | Confident | 59 Ų | 59 | 118.9 Ų | 118.9 | 49% | 0.488 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -68.9 | -36 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N120 L126 | N120-A122 PolarHBondContact O-N 3.01Å; N120-A122 PolarHBondContact OD1-N 3.43Å; A122-L126 PolarHBondContact O-N 2.85Å |
| 123 | M | 88.1 | Confident | 76.6 | Confident | 105 Ų | 105 | 114.9 Ų | 114.9 | 52% | 0.517 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -70.9 | -39.7 | 177.2 | -64 | -168 | -29.5 | 0 | 0 | 111.6 | N120 K125 L126 D127 | N120-M123 HydrophobicContact CB-CB 4.48Å; N120-M123 HydrophobicContact CB-CE 4.45Å; N120-M123 HydrophobicContact CB-CG 4.01Å; N120-M123 HydrophobicContact CB-SD 4.45Å; N120-M123 WeakPolarHBondContact O-CB 3.42Å; N120-M123 PolarHBondContact O-N 3.31Å; M123-K125 VanDerWaalsContact C-N 3.31Å; M123-K125 PolarHBondContact O-N 3.49Å; M123-L126 PolarHBondContact O-N 3.43Å; M123-D127 WeakPolarHBondContact O-CB 3.49Å; M123-D127 PolarHBondContact O-N 3.21Å |
| 124 | E | 90.3 | Very high | 79.1 | Confident | 107 Ų | 107 | 113.2 Ų | 113.2 | 50% | 0.5 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.1 | -40.2 | 175.8 | -63.6 | -171.9 | 155.5 | 0 | 0 | 111.9 | N120 D127 L128 | N120-E124 PolarHBondContact O-N 3.2Å; E124-D127 PolarHBondContact O-N 2.97Å; E124-L128 WeakPolarHBondContact O-CB 3.42Å; E124-L128 PolarHBondContact O-N 3.38Å |
| 125 | K | 90.6 | Very high | 81.7 | Confident | 150 Ų | 150 | 107.3 Ų | 107.3 | 65% | 0.652 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.3 | -43.5 | 173.6 | -73.8 | 179.3 | 179.3 | -175.9 | 0 | 111.9 | P121 M123 L128 V129 | P121-K125 WeakPolarHBondContact O-CG 3.45Å; P121-K125 PolarHBondContact O-N 3.28Å; M123-K125 VanDerWaalsContact C-N 3.31Å; M123-K125 PolarHBondContact O-N 3.49Å; K125-L128 PolarHBondContact O-N 3.28Å; K125-V129 WeakPolarHBondContact O-CG2 3.32Å; K125-V129 PolarHBondContact O-N 2.96Å |
| 126 | L | 93.6 | Very high | 84.3 | Confident | 94 Ų | 94 | 104.4 Ų | 104.4 | 49% | 0.492 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 177 | -167.4 | 167.8 | 0 | 0 | 0 | 110.6 | A122 M123 L128 V129 R130 | A122-L126 PolarHBondContact O-N 2.85Å; M123-L126 PolarHBondContact O-N 3.43Å; L126-L128 VanDerWaalsContact C-N 3.31Å; L126-L128 PolarHBondContact O-N 2.88Å; L126-V129 PolarHBondContact O-N 3.42Å; L126-R130 PolarHBondContact O-N 3.42Å |
| 127 | D | 91.3 | Very high | 86.7 | Confident | 68 Ų | 68 | 104 Ų | 104 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 177.5 | -74.5 | -13 | 0 | 0 | 0 | 112.2 | M123 E124 R130 K131 | M123-D127 WeakPolarHBondContact O-CB 3.49Å; M123-D127 PolarHBondContact O-N 3.21Å; E124-D127 PolarHBondContact O-N 2.97Å; D127-R130 PolarHBondContact O-N 3.28Å; D127-R130 IonicContact OD1-CZ 3.88Å; D127-R130 IonicContact OD1-NH1 2.79Å; D127-R130 PolarHBondContact OD1-NH1 3.32Å; D127-K131 WeakPolarHBondContact O-CG 3.3Å; D127-K131 PolarHBondContact O-N 3.35Å |
| 128 | L | 92.1 | Very high | 88.9 | Confident | 120 Ų | 120 | 99.4 Ų | 99.4 | 63% | 0.628 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.2 | -45.3 | 174 | -174.5 | 64.6 | 0 | 0 | 0 | 111.4 | E124 K125 L126 R130 K131 W132 | E124-L128 WeakPolarHBondContact O-CB 3.42Å; E124-L128 PolarHBondContact O-N 3.38Å; K125-L128 PolarHBondContact O-N 3.28Å; L126-L128 VanDerWaalsContact C-N 3.31Å; L126-L128 PolarHBondContact O-N 2.88Å; L128-R130 VanDerWaalsContact C-N 3.33Å; L128-R130 PolarHBondContact O-N 2.99Å; L128-K131 PolarHBondContact O-N 3.04Å; L128-W132 VanDerWaalsContact O-CB 3.28Å; L128-W132 WeakPolarHBondContact O-CB 3.44Å; L128-W132 PolarHBondContact O-N 3.09Å |
| 129 | V | 94.7 | Very high | 91 | Very high | 92 Ų | 92 | 92.3 Ų | 92.3 | 56% | 0.558 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62 | -41.9 | 175.3 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | K125 L126 W132 S133 | K125-V129 WeakPolarHBondContact O-CG2 3.32Å; K125-V129 PolarHBondContact O-N 2.96Å; L126-V129 PolarHBondContact O-N 3.42Å; V129-W132 PolarHBondContact O-N 3.13Å; V129-S133 WeakPolarHBondContact O-CB 3.45Å; V129-S133 PolarHBondContact O-N 3.05Å; V129-S133 PolarHBondContact O-OG 2.7Å |
| 130 | R | 94.4 | Very high | 92.7 | Very high | 126 Ų | 126 | 89.4 Ų | 89.4 | 48% | 0.475 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.6 | -51.9 | 176.4 | -170.2 | -172.9 | -65.1 | 113.9 | -1.8 | 110.8 | L126 D127 L128 W132 S133 I134 | L126-R130 PolarHBondContact O-N 3.42Å; D127-R130 PolarHBondContact O-N 3.28Å; D127-R130 IonicContact OD1-CZ 3.88Å; D127-R130 IonicContact OD1-NH1 2.79Å; D127-R130 PolarHBondContact OD1-NH1 3.32Å; L128-R130 VanDerWaalsContact C-N 3.33Å; L128-R130 PolarHBondContact O-N 2.99Å; R130-W132 VanDerWaalsContact C-N 3.33Å; R130-W132 PolarHBondContact O-N 3.02Å; R130-S133 PolarHBondContact O-N 3.25Å; R130-S133 PolarHBondContact O-OG 2.81Å; R130-I134 HydrophobicContact CG-CD1 4.04Å; R130-I134 WeakPolarHBondContact O-CG1 3.33Å; R130-I134 PolarHBondContact O-N 2.84Å |
| 131 | K | 91.8 | Very high | 93.4 | Very high | 151 Ų | 151 | 89.3 Ų | 89.3 | 66% | 0.657 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -58.4 | -44.8 | 177.7 | -74 | 175.5 | -179 | 176.4 | 0 | 111.7 | D127 L128 I134 N135 | D127-K131 WeakPolarHBondContact O-CG 3.3Å; D127-K131 PolarHBondContact O-N 3.35Å; L128-K131 PolarHBondContact O-N 3.04Å; K131-I134 PolarHBondContact O-N 2.94Å; K131-N135 WeakPolarHBondContact O-CB 3.48Å; K131-N135 PolarHBondContact O-N 2.92Å |
| 132 | W | 93.5 | Very high | 94 | Very high | 168 Ų | 168 | 85.6 Ų | 85.6 | 64% | 0.636 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61 | -45.1 | 177.1 | 174.2 | 82.5 | 0 | 0 | 0 | 112.3 | L128 V129 R130 I134 N135 T136 | L128-W132 VanDerWaalsContact O-CB 3.28Å; L128-W132 WeakPolarHBondContact O-CB 3.44Å; L128-W132 PolarHBondContact O-N 3.09Å; V129-W132 PolarHBondContact O-N 3.13Å; R130-W132 VanDerWaalsContact C-N 3.33Å; R130-W132 PolarHBondContact O-N 3.02Å; W132-I134 PolarHBondContact O-N 3.13Å; W132-N135 PolarHBondContact O-N 3.43Å; W132-T136 VanDerWaalsContact O-CB 3.32Å; W132-T136 WeakPolarHBondContact O-CB 3.46Å; W132-T136 PolarHBondContact O-N 2.88Å; W132-T136 PolarHBondContact O-OG1 3.43Å |
| 133 | S | 96.4 | Very high | 94.4 | Very high | 54 Ų | 54 | 85.9 Ų | 85.9 | 38% | 0.378 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 179.6 | 69.1 | 0 | 0 | 0 | 0 | 112.3 | V129 R130 T136 Y137 | V129-S133 WeakPolarHBondContact O-CB 3.45Å; V129-S133 PolarHBondContact O-N 3.05Å; V129-S133 PolarHBondContact O-OG 2.7Å; R130-S133 PolarHBondContact O-N 3.25Å; R130-S133 PolarHBondContact O-OG 2.81Å; S133-T136 PolarHBondContact O-N 2.94Å; S133-Y137 WeakPolarHBondContact O-CB 3.36Å; S133-Y137 PolarHBondContact O-N 3.44Å |
| 134 | I | 94.7 | Very high | 94.8 | Very high | 78 Ų | 78 | 85.3 Ų | 85.3 | 40% | 0.4 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.2 | -47.4 | 176.5 | -67.3 | 167.8 | 0 | 0 | 0 | 110.1 | R130 K131 W132 T136 Y137 K138 | R130-I134 HydrophobicContact CG-CD1 4.04Å; R130-I134 WeakPolarHBondContact O-CG1 3.33Å; R130-I134 PolarHBondContact O-N 2.84Å; K131-I134 PolarHBondContact O-N 2.94Å; W132-I134 PolarHBondContact O-N 3.13Å; I134-T136 VanDerWaalsContact C-N 3.32Å; I134-T136 PolarHBondContact O-N 3.49Å; I134-Y137 PolarHBondContact O-N 3.18Å; I134-K138 HydrophobicContact CG2-CD 4.15Å; I134-K138 HydrophobicContact CG2-CG 4.47Å; I134-K138 WeakPolarHBondContact O-CG 3.38Å; I134-K138 PolarHBondContact O-N 3.41Å |
| 135 | N | 95.4 | Very high | 95.1 | Very high | 28 Ų | 28 | 82 Ų | 82 | 15% | 0.15 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.3 | -45.6 | 178.5 | -170.6 | 54.6 | 0 | 0 | 0 | 111.4 | K131 W132 Y137 K138 C139 E267 Y271 | K131-N135 WeakPolarHBondContact O-CB 3.48Å; K131-N135 PolarHBondContact O-N 2.92Å; W132-N135 PolarHBondContact O-N 3.43Å; N135-Y137 PolarHBondContact O-N 2.9Å; N135-K138 PolarHBondContact O-N 3.5Å; N135-C139 WeakPolarHBondContact O-CB 3.47Å; N135-C139 PolarHBondContact O-N 3.26Å; N135-C139 PolarHBondContact O-SG 3.32Å; N135-E267 PolarHBondContact ND2-OE1 3.39Å; N135-E267 VanDerWaalsContact ND2-OE1 3.1Å; N135-Y271 VanDerWaalsContact OD1-CE2 3.27Å; N135-Y271 WeakPolarHBondContact OD1-CE2 3.45Å; N135-Y271 PolarHBondContact OD1-OH 3.47Å |
| 136 | T | 96.5 | Very high | 95.3 | Very high | 49 Ų | 49 | 76.6 Ų | 76.6 | 30% | 0.301 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 179.1 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | W132 S133 I134 C139 T140 | W132-T136 VanDerWaalsContact O-CB 3.32Å; W132-T136 WeakPolarHBondContact O-CB 3.46Å; W132-T136 PolarHBondContact O-N 2.88Å; W132-T136 PolarHBondContact O-OG1 3.43Å; S133-T136 PolarHBondContact O-N 2.94Å; I134-T136 VanDerWaalsContact C-N 3.32Å; I134-T136 PolarHBondContact O-N 3.49Å; T136-C139 PolarHBondContact O-N 3.37Å; T136-T140 WeakPolarHBondContact O-CB 3.31Å; T136-T140 PolarHBondContact O-N 3.38Å; T136-T140 PolarHBondContact O-OG1 3.37Å |
| 137 | Y | 97.7 | Very high | 95.3 | Very high | 145 Ų | 145 | 80.3 Ų | 80.3 | 57% | 0.569 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -60.1 | -49.3 | 175.4 | 171 | -100.6 | 0 | 0 | 0 | 111.8 | S133 I134 N135 C139 T140 R141 | S133-Y137 WeakPolarHBondContact O-CB 3.36Å; S133-Y137 PolarHBondContact O-N 3.44Å; I134-Y137 PolarHBondContact O-N 3.18Å; N135-Y137 PolarHBondContact O-N 2.9Å; Y137-C139 PolarHBondContact O-N 3.06Å; Y137-T140 PolarHBondContact O-N 2.86Å; Y137-R141 WeakPolarHBondContact O-CB 3.5Å; Y137-R141 PolarHBondContact O-N 3.12Å |
| 138 | K | 96.3 | Very high | 95.4 | Very high | 33 Ų | 33 | 82.8 Ų | 82.8 | 14% | 0.143 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -57.8 | -48.2 | 178.6 | -72.5 | 178.4 | 175.9 | -144.2 | 0 | 111.8 | I134 N135 R141 Q142 A270 Y271 D274 | I134-K138 HydrophobicContact CG2-CD 4.15Å; I134-K138 HydrophobicContact CG2-CG 4.47Å; I134-K138 WeakPolarHBondContact O-CG 3.38Å; I134-K138 PolarHBondContact O-N 3.41Å; N135-K138 PolarHBondContact O-N 3.5Å; K138-R141 PolarHBondContact O-N 3.25Å; K138-Q142 WeakPolarHBondContact O-CB 3.32Å; K138-Q142 PolarHBondContact O-N 2.87Å; K138-A270 HydrophobicContact CB-CB 4.1Å; K138-Y271 HydrophobicContact CD-CE1 4.02Å; K138-Y271 HydrophobicContact CD-CE2 4.2Å; K138-Y271 VanDerWaalsContact NZ-CE1 3.27Å; K138-D274 WeakPolarHBondContact CD-OD2 3.32Å; K138-D274 WeakPolarHBondContact CE-OD2 3.35Å; K138-D274 IonicContact NZ-OD2 2.83Å; K138-D274 PolarHBondContact NZ-OD2 3.38Å |
| 139 | C | 97.2 | Very high | 95.4 | Very high | 17 Ų | 17 | 80.5 Ų | 80.5 | 12% | 0.115 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 178.3 | -66.1 | 0 | 0 | 0 | 0 | 111.9 | N135 T136 Y137 R141 Q142 I143 V266 E267 | N135-C139 WeakPolarHBondContact O-CB 3.47Å; N135-C139 PolarHBondContact O-N 3.26Å; N135-C139 PolarHBondContact O-SG 3.32Å; T136-C139 PolarHBondContact O-N 3.37Å; Y137-C139 PolarHBondContact O-N 3.06Å; C139-R141 PolarHBondContact O-N 2.95Å; C139-Q142 PolarHBondContact O-N 3.04Å; C139-I143 VanDerWaalsContact O-CG1 3.29Å; C139-I143 WeakPolarHBondContact O-CG1 3.4Å; C139-I143 PolarHBondContact O-N 2.97Å; C139-V266 HydrophobicContact CB-CG1 3.77Å; C139-E267 VanDerWaalsContact SG-CG 3.52Å |
| 140 | T | 97.4 | Very high | 95.2 | Very high | 69 Ų | 69 | 86.2 Ų | 86.2 | 42% | 0.423 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 177.9 | -57.4 | 0 | 0 | 0 | 0 | 110.7 | T136 Y137 Q142 I143 L144 | T136-T140 WeakPolarHBondContact O-CB 3.31Å; T136-T140 PolarHBondContact O-N 3.38Å; T136-T140 PolarHBondContact O-OG1 3.37Å; Y137-T140 PolarHBondContact O-N 2.86Å; T140-Q142 VanDerWaalsContact C-N 3.35Å; T140-Q142 PolarHBondContact O-N 2.74Å; T140-I143 PolarHBondContact O-N 2.74Å; T140-L144 HydrophobicContact CG2-CD1 4.18Å; T140-L144 WeakPolarHBondContact O-CG 3.25Å; T140-L144 PolarHBondContact O-N 3.47Å |
| 141 | R | 97.1 | Very high | 94.6 | Very high | 79 Ų | 79 | 81.2 Ų | 81.2 | 30% | 0.298 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 175.5 | -174.3 | -178.8 | 59.3 | -176.8 | -5.6 | 111.3 | Y137 K138 C139 L144 S145 D274 | Y137-R141 WeakPolarHBondContact O-CB 3.5Å; Y137-R141 PolarHBondContact O-N 3.12Å; K138-R141 PolarHBondContact O-N 3.25Å; C139-R141 PolarHBondContact O-N 2.95Å; R141-L144 PolarHBondContact O-N 3.47Å; R141-S145 WeakPolarHBondContact O-CB 3.08Å; R141-S145 PolarHBondContact O-N 3.07Å; R141-S145 PolarHBondContact O-OG 3.48Å; R141-S145 VanDerWaalsContact O-OG 3.08Å; R141-D274 IonicContact CZ-OD1 3.05Å; R141-D274 IonicContact NH1-OD1 2.63Å; R141-D274 IonicContact NH2-OD1 3.57Å; R141-D274 PolarHBondContact NH2-OD1 3.22Å; R141-D274 IonicContact NH2-OD2 3.33Å |
| 142 | Q | 97.6 | Very high | 94.6 | Very high | 6 Ų | 6 | 77.5 Ų | 77.5 | 3% | 0.028 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.9 | -49.5 | 176.5 | 179.9 | 60.3 | 31 | 0 | 0 | 111.8 | K138 C139 T140 L144 S145 E146 S152 V266 D269 A270 T273 | K138-Q142 WeakPolarHBondContact O-CB 3.32Å; K138-Q142 PolarHBondContact O-N 2.87Å; C139-Q142 PolarHBondContact O-N 3.04Å; T140-Q142 VanDerWaalsContact C-N 3.35Å; T140-Q142 PolarHBondContact O-N 2.74Å; Q142-L144 VanDerWaalsContact C-N 3.33Å; Q142-L144 PolarHBondContact O-N 2.76Å; Q142-S145 PolarHBondContact O-N 3.35Å; Q142-E146 PolarHBondContact NE2-OE1 3.4Å; Q142-E146 WeakPolarHBondContact O-CG 3.35Å; Q142-E146 PolarHBondContact O-N 3.15Å; Q142-S152 PolarHBondContact NE2-O 3.09Å; Q142-S152 VanDerWaalsContact NE2-O 3.13Å; Q142-V266 HydrophobicContact CB-CG1 4.41Å; Q142-V266 HydrophobicContact CG-CG1 4.37Å; Q142-D269 HydrophobicContact CG-CB 3.95Å; Q142-A270 HydrophobicContact CB-CB 3.81Å; Q142-A270 HydrophobicContact CG-CB 4.21Å; Q142-T273 PolarHBondContact OE1-OG1 3.08Å |
| 143 | I | 96.1 | Very high | 94.6 | Very high | 64 Ų | 64 | 73.7 Ų | 73.7 | 33% | 0.328 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.8 | -44.5 | 178.3 | -69 | 163.4 | 0 | 0 | 0 | 111.2 | C139 T140 E146 K147 V266 | C139-I143 VanDerWaalsContact O-CG1 3.29Å; C139-I143 WeakPolarHBondContact O-CG1 3.4Å; C139-I143 PolarHBondContact O-N 2.97Å; T140-I143 PolarHBondContact O-N 2.74Å; I143-E146 PolarHBondContact O-N 3.03Å; I143-K147 HydrophobicContact CG2-CD 4.25Å; I143-K147 WeakPolarHBondContact O-CG 3.32Å; I143-K147 PolarHBondContact O-N 3.49Å; I143-V266 HydrophobicContact CD1-CG1 3.97Å; I143-V266 HydrophobicContact CD1-CG2 4.48Å; I143-V266 HydrophobicContact CG1-CG1 3.7Å; I143-V266 HydrophobicContact CG1-CG2 4.07Å |
| 144 | L | 96.4 | Very high | 94.6 | Very high | 94 Ų | 94 | 72.7 Ų | 72.7 | 49% | 0.492 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 178.5 | -70.4 | 174.4 | 0 | 0 | 0 | 111.4 | T140 R141 Q142 E146 K147 L148 | T140-L144 HydrophobicContact CG2-CD1 4.18Å; T140-L144 WeakPolarHBondContact O-CG 3.25Å; T140-L144 PolarHBondContact O-N 3.47Å; R141-L144 PolarHBondContact O-N 3.47Å; Q142-L144 VanDerWaalsContact C-N 3.33Å; Q142-L144 PolarHBondContact O-N 2.76Å; L144-E146 PolarHBondContact O-N 2.82Å; L144-K147 PolarHBondContact O-N 3.26Å; L144-L148 WeakPolarHBondContact O-CB 2.92Å; L144-L148 VanDerWaalsContact O-CG 3.29Å; L144-L148 WeakPolarHBondContact O-CG 3.48Å; L144-L148 PolarHBondContact O-N 3.23Å |
| 145 | S | 95.4 | Very high | 94.6 | Very high | 37 Ų | 37 | 72.3 Ų | 72.3 | 26% | 0.259 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 175.9 | -69.3 | 0 | 0 | 0 | 0 | 112 | R141 Q142 L148 G149 R150 G151 | R141-S145 WeakPolarHBondContact O-CB 3.08Å; R141-S145 PolarHBondContact O-N 3.07Å; R141-S145 PolarHBondContact O-OG 3.48Å; R141-S145 VanDerWaalsContact O-OG 3.08Å; Q142-S145 PolarHBondContact O-N 3.35Å; S145-L148 PolarHBondContact O-N 3.29Å; S145-G149 PolarHBondContact O-N 3.37Å; S145-R150 PolarHBondContact O-N 3.43Å; S145-G151 VanDerWaalsContact C-N 3.33Å; S145-G151 PolarHBondContact O-N 3.49Å |
| 146 | E | 95 | Very high | 94.7 | Very high | 36 Ų | 36 | 72.9 Ų | 72.9 | 17% | 0.168 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.3 | -48.8 | 175.1 | -72.3 | 176.1 | -164.8 | 0 | 0 | 111.5 | Q142 I143 L144 L148 G149 K153 R265 | Q142-E146 PolarHBondContact NE2-OE1 3.4Å; Q142-E146 WeakPolarHBondContact O-CG 3.35Å; Q142-E146 PolarHBondContact O-N 3.15Å; I143-E146 PolarHBondContact O-N 3.03Å; L144-E146 PolarHBondContact O-N 2.82Å; E146-L148 PolarHBondContact O-N 2.91Å; E146-G149 PolarHBondContact O-N 3.03Å; E146-K153 HydrophobicContact CG-CB 4.18Å; E146-R265 IonicContact OE1-CZ 3.9Å; E146-R265 IonicContact OE1-NH1 2.77Å; E146-R265 PolarHBondContact OE1-NH1 3.47Å; E146-R265 IonicContact OE1-NH2 2.71Å; E146-R265 IonicContact OE2-CZ 3.59Å; E146-R265 IonicContact OE2-NH1 3.75Å; E146-R265 PolarHBondContact OE2-NH1 2.89Å; E146-R265 IonicContact OE2-NH2 2.96Å; E146-R265 PolarHBondContact OE2-NH2 2.9Å |
| 147 | K | 93.7 | Very high | 94.7 | Very high | 172 Ų | 172 | 77 Ų | 77 | 75% | 0.748 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.2 | -30.7 | 179.4 | -75 | -177.8 | 177.2 | -175.1 | 0 | 113.4 | I143 L144 G149 | I143-K147 HydrophobicContact CG2-CD 4.25Å; I143-K147 WeakPolarHBondContact O-CG 3.32Å; I143-K147 PolarHBondContact O-N 3.49Å; L144-K147 PolarHBondContact O-N 3.26Å; K147-G149 VanDerWaalsContact C-N 3.31Å |
| 148 | L | 94.7 | Very high | 94.7 | Very high | 121 Ų | 121 | 76.7 Ų | 76.7 | 63% | 0.634 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | 2 | 177.7 | -68.8 | 167.7 | 0 | 0 | 0 | 113.2 | L144 S145 E146 R150 | L144-L148 WeakPolarHBondContact O-CB 2.92Å; L144-L148 VanDerWaalsContact O-CG 3.29Å; L144-L148 WeakPolarHBondContact O-CG 3.48Å; L144-L148 PolarHBondContact O-N 3.23Å; S145-L148 PolarHBondContact O-N 3.29Å; E146-L148 PolarHBondContact O-N 2.91Å; L148-R150 HydrophobicContact CB-CG 4.33Å; L148-R150 PolarHBondContact O-N 3.21Å |
| 149 | G | 91.3 | Very high | 94.7 | Very high | 71 Ų | 71 | 75.3 Ų | 75.3 | 73% | 0.732 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 17.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | S145 E146 K147 | S145-G149 PolarHBondContact O-N 3.37Å; E146-G149 PolarHBondContact O-N 3.03Å; K147-G149 VanDerWaalsContact C-N 3.31Å |
| 150 | R | 89.7 | Confident | 94.7 | Very high | 212 Ų | 212 | 77.3 Ų | 77.3 | 80% | 0.8 | 41% | 0.406 | S | S | * | . | trans | -101.9 | -20.3 | -179.1 | -64.3 | -178.4 | 179.4 | 177.7 | -1 | 113 | S145 L148 | S145-R150 PolarHBondContact O-N 3.43Å; L148-R150 HydrophobicContact CB-CG 4.33Å; L148-R150 PolarHBondContact O-N 3.21Å | ||
| 151 | G | 83.6 | Confident | 94.8 | Very high | 22 Ų | 22 | 77 Ų | 77 | 23% | 0.227 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -102 | 141.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S145 | S145-G151 VanDerWaalsContact C-N 3.33Å; S145-G151 PolarHBondContact O-N 3.49Å |
| 152 | S | 90.3 | Very high | 94.8 | Very high | 73 Ų | 73 | 76 Ų | 76 | 51% | 0.51 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 128 | 170.2 | 171.8 | 0 | 0 | 0 | 0 | 110 | Q142 R272 | Q142-S152 PolarHBondContact NE2-O 3.09Å; Q142-S152 VanDerWaalsContact NE2-O 3.13Å; S152-R272 PolarHBondContact O-NH2 2.85Å |
| 153 | K | 94.9 | Very high | 94.9 | Very high | 88 Ų | 88 | 75.9 Ų | 75.9 | 38% | 0.383 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -101.5 | 128.5 | 178.1 | 174.3 | 178.6 | 177.7 | -150.8 | 0 | 109.4 | E146 V155 E160 | E146-K153 HydrophobicContact CG-CB 4.18Å; K153-V155 HydrophobicContact CD-CG2 4.03Å; K153-V155 HydrophobicContact CG-CG2 3.88Å; K153-E160 IonicContact NZ-OE1 3.67Å; K153-E160 PolarHBondContact NZ-OE1 3.34Å |
| 154 | T | 96.2 | Very high | 94.9 | Very high | 33 Ų | 33 | 77 Ų | 77 | 20% | 0.202 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 130 | 166.9 | -68.5 | 0 | 0 | 0 | 0 | 110.3 | R265 Y268 D269 F305 | T154-R265 VanDerWaalsContact O-CD 3.32Å; T154-R265 WeakPolarHBondContact O-CD 3.35Å; T154-Y268 HydrophobicContact CG2-CE1 4.33Å; T154-Y268 WeakPolarHBondContact OG1-CE1 3.07Å; T154-D269 WeakPolarHBondContact CB-OD1 3.5Å; T154-D269 WeakPolarHBondContact CB-OD2 3.12Å; T154-D269 PolarHBondContact N-OD2 2.82Å; T154-D269 PolarHBondContact OG1-OD1 3.32Å; T154-D269 PolarHBondContact OG1-OD2 3.41Å; T154-F305 HydrophobicContact CG2-CE1 4Å; T154-F305 HydrophobicContact CG2-CZ 3.64Å |
| 155 | V | 95.3 | Very high | 95 | Very high | 70 Ų | 70 | 76.9 Ų | 76.9 | 42% | 0.424 | 41% | 0.412 | S | S | . | . | trans | -130.7 | 133.3 | -176.1 | 177.7 | 0 | 0 | 0 | 0 | 110.4 | K153 L157 | K153-V155 HydrophobicContact CD-CG2 4.03Å; K153-V155 HydrophobicContact CG-CG2 3.88Å; V155-L157 HydrophobicContact CG1-CD2 3.64Å; V155-L157 HydrophobicContact CG1-CG 4.11Å | ||
| 156 | D | 96.5 | Very high | 95.2 | Very high | 40 Ų | 40 | 75.7 Ų | 75.7 | 21% | 0.214 | 40% | 0.403 | C | S | . | . | trans | -115.2 | 98 | 168 | -173.6 | -35.2 | 0 | 0 | 0 | 107.9 | E158 L159 E160 R309 | D156-E158 VanDerWaalsContact C-N 3.29Å; D156-E158 PolarHBondContact O-N 3.49Å; D156-E158 PolarHBondContact OD1-N 3.13Å; D156-L159 HydrophobicContact CB-CB 3.95Å; D156-L159 PolarHBondContact O-N 3.43Å; D156-L159 WeakPolarHBondContact OD1-CB 3.39Å; D156-L159 PolarHBondContact OD1-N 2.88Å; D156-E160 WeakPolarHBondContact O-CB 3.41Å; D156-E160 WeakPolarHBondContact O-CG 3.29Å; D156-E160 PolarHBondContact O-N 3.36Å; D156-R309 WeakPolarHBondContact OD2-CD 3.45Å | ||
| 157 | L | 97 | Very high | 95.3 | Very high | 136 Ų | 136 | 78.4 Ų | 78.4 | 71% | 0.712 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -62.6 | -36.2 | -171.2 | -65.8 | 173.4 | 0 | 0 | 0 | 112.7 | V155 A161 | V155-L157 HydrophobicContact CG1-CD2 3.64Å; V155-L157 HydrophobicContact CG1-CG 4.11Å; L157-A161 WeakPolarHBondContact O-CB 3.38Å; L157-A161 PolarHBondContact O-N 3.47Å; L157-A161 VanDerWaalsContact O-N 3.1Å |
| 158 | E | 96.8 | Very high | 95.5 | Very high | 137 Ų | 137 | 73.7 Ų | 73.7 | 64% | 0.64 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -70.2 | -47.4 | 179.6 | -172.2 | -174.6 | 164 | 0 | 0 | 110.2 | D156 A161 Q162 | D156-E158 VanDerWaalsContact C-N 3.29Å; D156-E158 PolarHBondContact O-N 3.49Å; D156-E158 PolarHBondContact OD1-N 3.13Å; E158-A161 PolarHBondContact O-N 3.32Å; E158-Q162 WeakPolarHBondContact O-CG 3.34Å; E158-Q162 PolarHBondContact O-N 2.99Å; E158-Q162 PolarHBondContact OE1-NE2 3.13Å |
| 159 | L | 97.2 | Very high | 95.6 | Very high | 5 Ų | 5 | 69 Ų | 69 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 179.4 | -167 | 62.9 | 0 | 0 | 0 | 111.7 | D156 A161 Q162 I163 Y261 R309 V312 L316 | D156-L159 HydrophobicContact CB-CB 3.95Å; D156-L159 PolarHBondContact O-N 3.43Å; D156-L159 WeakPolarHBondContact OD1-CB 3.39Å; D156-L159 PolarHBondContact OD1-N 2.88Å; L159-A161 VanDerWaalsContact C-N 3.33Å; L159-A161 PolarHBondContact O-N 2.79Å; L159-Q162 PolarHBondContact O-N 3.4Å; L159-I163 HydrophobicContact CG-CD1 3.99Å; L159-I163 WeakPolarHBondContact O-CB 3.39Å; L159-I163 VanDerWaalsContact O-CG1 3.25Å; L159-I163 WeakPolarHBondContact O-CG1 3.48Å; L159-I163 PolarHBondContact O-N 3.26Å; L159-Y261 HydrophobicContact CD2-CE1 4.04Å; L159-Y261 HydrophobicContact CD2-CE2 4.05Å; L159-R309 HydrophobicContact CD2-CG 3.87Å; L159-V312 HydrophobicContact CD1-CG1 4.1Å; L159-V312 HydrophobicContact CD2-CG1 4.4Å; L159-L316 HydrophobicContact CD1-CD1 3.62Å |
| 160 | E | 97.6 | Very high | 95.9 | Very high | 58 Ų | 58 | 67.9 Ų | 67.9 | 27% | 0.271 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 175.1 | -77.6 | -169.4 | 169.8 | 0 | 0 | 111.5 | K153 D156 Q162 I163 E164 | K153-E160 IonicContact NZ-OE1 3.67Å; K153-E160 PolarHBondContact NZ-OE1 3.34Å; D156-E160 WeakPolarHBondContact O-CB 3.41Å; D156-E160 WeakPolarHBondContact O-CG 3.29Å; D156-E160 PolarHBondContact O-N 3.36Å; E160-Q162 PolarHBondContact O-N 3.12Å; E160-I163 PolarHBondContact O-N 3.21Å; E160-E164 WeakPolarHBondContact O-CB 3.4Å; E160-E164 PolarHBondContact O-N 3Å |
| 161 | A | 98 | Very high | 96.4 | Very high | 63 Ų | 63 | 64.9 Ų | 64.9 | 52% | 0.521 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L157 E158 L159 E164 L165 | L157-A161 WeakPolarHBondContact O-CB 3.38Å; L157-A161 PolarHBondContact O-N 3.47Å; L157-A161 VanDerWaalsContact O-N 3.1Å; E158-A161 PolarHBondContact O-N 3.32Å; L159-A161 VanDerWaalsContact C-N 3.33Å; L159-A161 PolarHBondContact O-N 2.79Å; A161-E164 PolarHBondContact O-N 2.94Å; A161-L165 PolarHBondContact O-N 3.49Å |
| 162 | Q | 98.3 | Very high | 97.1 | Very high | 58 Ų | 58 | 68.5 Ų | 68.5 | 27% | 0.271 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 176.8 | -68.6 | 177.2 | 18.6 | 0 | 0 | 112.2 | E158 L159 E160 E164 L165 L166 L316 | E158-Q162 WeakPolarHBondContact O-CG 3.34Å; E158-Q162 PolarHBondContact O-N 2.99Å; E158-Q162 PolarHBondContact OE1-NE2 3.13Å; L159-Q162 PolarHBondContact O-N 3.4Å; E160-Q162 PolarHBondContact O-N 3.12Å; Q162-E164 VanDerWaalsContact C-N 3.34Å; Q162-L165 PolarHBondContact O-N 3.41Å; Q162-L166 PolarHBondContact O-N 3.4Å; Q162-L316 HydrophobicContact CB-CD1 4.05Å |
| 163 | I | 98.3 | Very high | 97.4 | Very high | 3 Ų | 3 | 66.8 Ų | 66.8 | 2% | 0.015 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 176.2 | -71.1 | 166.5 | 0 | 0 | 0 | 110.7 | L159 E160 L166 R167 I258 Y261 L316 | L159-I163 HydrophobicContact CG-CD1 3.99Å; L159-I163 WeakPolarHBondContact O-CB 3.39Å; L159-I163 VanDerWaalsContact O-CG1 3.25Å; L159-I163 WeakPolarHBondContact O-CG1 3.48Å; L159-I163 PolarHBondContact O-N 3.26Å; E160-I163 PolarHBondContact O-N 3.21Å; I163-L166 WeakPolarHBondContact O-CB 3.44Å; I163-L166 PolarHBondContact O-N 2.97Å; I163-R167 VanDerWaalsContact CG2-CZ 3.44Å; I163-R167 WeakPolarHBondContact O-CG 3.03Å; I163-R167 PolarHBondContact O-N 3Å; I163-I258 HydrophobicContact CD1-CG1 4.23Å; I163-I258 HydrophobicContact CD1-CG2 3.89Å; I163-I258 HydrophobicContact CG1-CD1 3.89Å; I163-I258 HydrophobicContact CG1-CG1 4.07Å; I163-I258 HydrophobicContact CG1-CG2 4.26Å; I163-I258 HydrophobicContact CG2-CD1 4.25Å; I163-I258 HydrophobicContact CG2-CG2 3.98Å; I163-Y261 HydrophobicContact CD1-CE1 4.43Å; I163-L316 HydrophobicContact CG1-CD1 4.22Å |
| 164 | E | 98.1 | Very high | 97.6 | Very high | 87 Ų | 87 | 65.6 Ų | 65.6 | 41% | 0.407 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68 | -41.1 | 179.6 | -166.6 | 53.1 | -142.7 | 0 | 0 | 111.8 | E160 A161 Q162 L166 R167 E168 R171 | E160-E164 WeakPolarHBondContact O-CB 3.4Å; E160-E164 PolarHBondContact O-N 3Å; A161-E164 PolarHBondContact O-N 2.94Å; Q162-E164 VanDerWaalsContact C-N 3.34Å; E164-L166 VanDerWaalsContact C-N 3.28Å; E164-L166 PolarHBondContact O-N 2.97Å; E164-R167 PolarHBondContact O-N 2.88Å; E164-R167 WeakPolarHBondContact OE2-CD 3.31Å; E164-R167 IonicContact OE2-CZ 2.68Å; E164-R167 IonicContact OE2-NH1 3.42Å; E164-R167 PolarHBondContact OE2-NH1 3.1Å; E164-E168 PolarHBondContact O-N 3.5Å; E164-R171 IonicContact OE1-NH2 3.07Å |
| 165 | L | 97.9 | Very high | 97.7 | Very high | 92 Ų | 92 | 68.2 Ų | 68.2 | 48% | 0.482 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.7 | -40.4 | 171.5 | -179.1 | 62.9 | 0 | 0 | 0 | 111.7 | A161 Q162 E168 N169 | A161-L165 PolarHBondContact O-N 3.49Å; Q162-L165 PolarHBondContact O-N 3.41Å; L165-E168 PolarHBondContact O-N 3.39Å; L165-N169 WeakPolarHBondContact O-CB 3.43Å; L165-N169 VanDerWaalsContact O-CG 3.26Å; L165-N169 PolarHBondContact O-N 3.29Å; L165-N169 PolarHBondContact O-ND2 2.95Å |
| 166 | L | 98.3 | Very high | 97.9 | Very high | 13 Ų | 13 | 67.8 Ų | 67.8 | 7% | 0.068 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 175.6 | 177 | 60.8 | 0 | 0 | 0 | 111.8 | Q162 I163 E164 E168 N169 R170 I251 T254 M255 I258 L316 L319 | Q162-L166 PolarHBondContact O-N 3.4Å; I163-L166 WeakPolarHBondContact O-CB 3.44Å; I163-L166 PolarHBondContact O-N 2.97Å; E164-L166 VanDerWaalsContact C-N 3.28Å; E164-L166 PolarHBondContact O-N 2.97Å; L166-E168 VanDerWaalsContact C-N 3.32Å; L166-E168 PolarHBondContact O-N 2.81Å; L166-N169 PolarHBondContact O-N 3.35Å; L166-R170 WeakPolarHBondContact O-CB 3.17Å; L166-R170 PolarHBondContact O-N 3.48Å; L166-I251 HydrophobicContact CD1-CD1 4.38Å; L166-I251 HydrophobicContact CD1-CG1 4.17Å; L166-I251 HydrophobicContact CD1-CG2 3.88Å; L166-I251 HydrophobicContact CG-CG2 4.32Å; L166-T254 HydrophobicContact CD2-CG2 3.94Å; L166-M255 HydrophobicContact CD2-SD 3.9Å; L166-M255 HydrophobicContact CG-SD 4.27Å; L166-I258 HydrophobicContact CD2-CD1 3.8Å; L166-L316 HydrophobicContact CB-CD2 4.41Å; L166-L316 HydrophobicContact CD2-CD2 3.69Å; L166-L319 HydrophobicContact CD1-CD2 3.47Å; L166-L319 VanDerWaalsContact CD1-CD2 3.47Å; L166-L319 HydrophobicContact CD2-CD2 3.84Å; L166-L319 HydrophobicContact CG-CD2 4.31Å |
| 167 | R | 98.4 | Very high | 98 | Very high | 92 Ų | 92 | 66.2 Ų | 66.2 | 35% | 0.347 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 177 | -70.6 | 173 | -175.4 | 144.7 | 1.4 | 111.8 | I163 E164 R171 M255 | I163-R167 VanDerWaalsContact CG2-CZ 3.44Å; I163-R167 WeakPolarHBondContact O-CG 3.03Å; I163-R167 PolarHBondContact O-N 3Å; E164-R167 PolarHBondContact O-N 2.88Å; E164-R167 WeakPolarHBondContact OE2-CD 3.31Å; E164-R167 IonicContact OE2-CZ 2.68Å; E164-R167 IonicContact OE2-NH1 3.42Å; E164-R167 PolarHBondContact OE2-NH1 3.1Å; R167-R171 PolarHBondContact O-N 3.4Å; R167-M255 HydrophobicContact CG-CE 3.96Å; R167-M255 HydrophobicContact CG-SD 4.35Å |
| 168 | E | 98.1 | Very high | 98.1 | Very high | 74 Ų | 74 | 66.3 Ų | 66.3 | 35% | 0.346 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.5 | -48 | 176.1 | -160.8 | -162.2 | -175.2 | 0 | 0 | 111.5 | E164 L165 L166 R170 R171 K172 | E164-E168 PolarHBondContact O-N 3.5Å; L165-E168 PolarHBondContact O-N 3.39Å; L166-E168 VanDerWaalsContact C-N 3.32Å; L166-E168 PolarHBondContact O-N 2.81Å; E168-R170 VanDerWaalsContact C-N 3.31Å; E168-R170 PolarHBondContact O-N 3.43Å; E168-R171 PolarHBondContact O-N 2.87Å; E168-R171 VanDerWaalsContact O-N 3.15Å; E168-K172 VanDerWaalsContact CD-CE 3.45Å; E168-K172 HydrophobicContact CG-CD 4.38Å; E168-K172 WeakPolarHBondContact O-CG 3.29Å; E168-K172 PolarHBondContact O-N 3.18Å; E168-K172 WeakPolarHBondContact OE1-CE 3.29Å; E168-K172 IonicContact OE1-NZ 2.64Å; E168-K172 PolarHBondContact OE1-NZ 3.5Å; E168-K172 IonicContact OE2-NZ 3.73Å; E168-K172 PolarHBondContact OE2-NZ 3.32Å |
| 169 | N | 96.9 | Very high | 98.1 | Very high | 22 Ų | 22 | 65 Ų | 65 | 12% | 0.118 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.4 | -43.4 | 177.1 | -76.2 | -19.4 | 0 | 0 | 0 | 111.7 | L165 L166 R171 K172 Y173 | L165-N169 WeakPolarHBondContact O-CB 3.43Å; L165-N169 VanDerWaalsContact O-CG 3.26Å; L165-N169 PolarHBondContact O-N 3.29Å; L165-N169 PolarHBondContact O-ND2 2.95Å; L166-N169 PolarHBondContact O-N 3.35Å; N169-R171 PolarHBondContact O-N 3.39Å; N169-K172 PolarHBondContact O-N 2.94Å; N169-Y173 HydrophobicContact CB-CE2 4Å; N169-Y173 VanDerWaalsContact O-CD2 3.27Å; N169-Y173 WeakPolarHBondContact O-CD2 3.4Å; N169-Y173 PolarHBondContact O-N 2.96Å |
| 170 | R | 97.7 | Very high | 98.2 | Very high | 48 Ų | 48 | 65 Ų | 65 | 18% | 0.181 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -55.2 | -50.3 | 174.5 | -172 | -168.9 | 174.8 | 153.5 | 6 | 111.6 | L166 E168 K172 Y173 Q174 V247 I251 E252 | L166-R170 WeakPolarHBondContact O-CB 3.17Å; L166-R170 PolarHBondContact O-N 3.48Å; E168-R170 VanDerWaalsContact C-N 3.31Å; E168-R170 PolarHBondContact O-N 3.43Å; R170-K172 VanDerWaalsContact C-N 3.35Å; R170-K172 PolarHBondContact O-N 3.08Å; R170-Y173 PolarHBondContact O-N 3.27Å; R170-Q174 WeakPolarHBondContact O-CG 3.34Å; R170-Q174 PolarHBondContact O-N 3.32Å; R170-V247 HydrophobicContact CG-CG1 3.96Å; R170-I251 HydrophobicContact CB-CG2 4.15Å; R170-I251 HydrophobicContact CG-CG2 4.04Å; R170-E252 IonicContact CZ-OE2 2.88Å; R170-E252 IonicContact NH1-OE2 2.69Å; R170-E252 PolarHBondContact NH1-OE2 3.33Å; R170-E252 IonicContact NH2-OE2 3.31Å; R170-E252 PolarHBondContact NH2-OE2 2.95Å |
| 171 | R | 98.3 | Very high | 98.3 | Very high | 148 Ų | 148 | 66.2 Ų | 66.2 | 56% | 0.558 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.6 | -43 | 178.1 | -74.8 | -175.8 | -74.5 | 153.5 | -7.3 | 111.8 | E164 R167 E168 N169 Q174 N175 | E164-R171 IonicContact OE1-NH2 3.07Å; R167-R171 PolarHBondContact O-N 3.4Å; E168-R171 PolarHBondContact O-N 2.87Å; E168-R171 VanDerWaalsContact O-N 3.15Å; N169-R171 PolarHBondContact O-N 3.39Å; R171-Q174 PolarHBondContact O-N 2.95Å; R171-N175 PolarHBondContact O-N 3.2Å |
| 172 | K | 98.3 | Very high | 98.3 | Very high | 99 Ų | 99 | 65.3 Ų | 65.3 | 43% | 0.43 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 177.4 | -72.5 | 172.8 | 178.9 | 164.7 | 0 | 111.4 | E168 N169 R170 N175 V176 | E168-K172 VanDerWaalsContact CD-CE 3.45Å; E168-K172 HydrophobicContact CG-CD 4.38Å; E168-K172 WeakPolarHBondContact O-CG 3.29Å; E168-K172 PolarHBondContact O-N 3.18Å; E168-K172 WeakPolarHBondContact OE1-CE 3.29Å; E168-K172 IonicContact OE1-NZ 2.64Å; E168-K172 PolarHBondContact OE1-NZ 3.5Å; E168-K172 IonicContact OE2-NZ 3.73Å; E168-K172 PolarHBondContact OE2-NZ 3.32Å; N169-K172 PolarHBondContact O-N 2.94Å; R170-K172 VanDerWaalsContact C-N 3.35Å; R170-K172 PolarHBondContact O-N 3.08Å; K172-N175 WeakPolarHBondContact O-CB 3.41Å; K172-N175 PolarHBondContact O-N 2.89Å; K172-V176 WeakPolarHBondContact O-CG2 3.43Å; K172-V176 PolarHBondContact O-N 3.24Å |
| 173 | Y | 98.5 | Very high | 98.3 | Very high | 36 Ų | 36 | 66 Ų | 66 | 14% | 0.141 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.7 | -38.3 | 179.1 | -58.7 | -26 | 0 | 0 | 0 | 112.7 | N169 R170 N175 V176 I177 V247 I251 K323 L327 | N169-Y173 HydrophobicContact CB-CE2 4Å; N169-Y173 VanDerWaalsContact O-CD2 3.27Å; N169-Y173 WeakPolarHBondContact O-CD2 3.4Å; N169-Y173 PolarHBondContact O-N 2.96Å; R170-Y173 PolarHBondContact O-N 3.27Å; Y173-N175 VanDerWaalsContact C-N 3.27Å; Y173-N175 PolarHBondContact O-N 3.2Å; Y173-V176 WeakPolarHBondContact O-CB 3.22Å; Y173-V176 PolarHBondContact O-N 3.37Å; Y173-V176 VanDerWaalsContact O-N 3.16Å; Y173-I177 WeakPolarHBondContact O-CG1 3.47Å; Y173-I177 PolarHBondContact O-N 3.17Å; Y173-V247 HydrophobicContact CD2-CG2 4.3Å; Y173-V247 HydrophobicContact CG-CG2 4.42Å; Y173-I251 HydrophobicContact CD2-CD1 4.05Å; Y173-I251 HydrophobicContact CE2-CD1 4.32Å; Y173-K323 HydrophobicContact CE2-CD 4.03Å; Y173-K323 HydrophobicContact CE2-CG 4.07Å; Y173-K323 WeakPolarHBondContact OH-CD 3.25Å; Y173-L327 HydrophobicContact CE1-CD1 3.77Å; Y173-L327 HydrophobicContact CE2-CD1 3.95Å; Y173-L327 VanDerWaalsContact CZ-CD1 3.42Å; Y173-L327 VanDerWaalsContact OH-CD1 3.31Å; Y173-L327 WeakPolarHBondContact OH-CD1 3.45Å |
| 174 | Q | 98.3 | Very high | 98.3 | Very high | 63 Ų | 63 | 66 Ų | 66 | 29% | 0.294 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59 | -39.3 | 171 | -73.5 | 176 | -29.4 | 0 | 0 | 111.9 | R170 R171 I177 K178 V247 | R170-Q174 WeakPolarHBondContact O-CG 3.34Å; R170-Q174 PolarHBondContact O-N 3.32Å; R171-Q174 PolarHBondContact O-N 2.95Å; Q174-I177 PolarHBondContact O-N 3.07Å; Q174-K178 WeakPolarHBondContact O-CG 3.34Å; Q174-K178 PolarHBondContact O-N 3.5Å; Q174-V247 HydrophobicContact CG-CG1 3.65Å |
| 175 | N | 98.6 | Very high | 98.4 | Very high | 89 Ų | 89 | 66.8 Ų | 66.8 | 48% | 0.476 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.7 | -41.5 | 174.8 | -171.2 | 57 | 0 | 0 | 0 | 112.3 | R171 K172 Y173 I177 K178 L179 | R171-N175 PolarHBondContact O-N 3.2Å; K172-N175 WeakPolarHBondContact O-CB 3.41Å; K172-N175 PolarHBondContact O-N 2.89Å; Y173-N175 VanDerWaalsContact C-N 3.27Å; Y173-N175 PolarHBondContact O-N 3.2Å; N175-I177 VanDerWaalsContact C-N 3.34Å; N175-I177 PolarHBondContact O-N 3.24Å; N175-K178 PolarHBondContact O-N 3.39Å; N175-L179 WeakPolarHBondContact O-CG 3.46Å; N175-L179 PolarHBondContact O-N 2.91Å |
| 176 | V | 98.4 | Very high | 98.4 | Very high | 60 Ų | 60 | 67.8 Ų | 67.8 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60 | -44.1 | 174.6 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | K172 Y173 K178 L179 A180 F239 | K172-V176 WeakPolarHBondContact O-CG2 3.43Å; K172-V176 PolarHBondContact O-N 3.24Å; Y173-V176 WeakPolarHBondContact O-CB 3.22Å; Y173-V176 PolarHBondContact O-N 3.37Å; Y173-V176 VanDerWaalsContact O-N 3.16Å; V176-K178 PolarHBondContact O-N 3.05Å; V176-L179 PolarHBondContact O-N 3.15Å; V176-A180 WeakPolarHBondContact O-CB 3.32Å; V176-A180 PolarHBondContact O-N 3.45Å; V176-F239 HydrophobicContact CG1-CE1 4Å; V176-F239 HydrophobicContact CG1-CZ 3.99Å |
| 177 | I | 98.6 | Very high | 98.4 | Very high | 7 Ų | 7 | 67.9 Ų | 67.9 | 4% | 0.036 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.7 | -48.2 | 175.3 | -69.9 | 162.8 | 0 | 0 | 0 | 110.6 | Y173 Q174 N175 L179 A180 Q181 I240 V243 D244 V247 | Y173-I177 WeakPolarHBondContact O-CG1 3.47Å; Y173-I177 PolarHBondContact O-N 3.17Å; Q174-I177 PolarHBondContact O-N 3.07Å; N175-I177 VanDerWaalsContact C-N 3.34Å; N175-I177 PolarHBondContact O-N 3.24Å; I177-L179 VanDerWaalsContact C-N 3.33Å; I177-L179 PolarHBondContact O-N 3.3Å; I177-A180 PolarHBondContact O-N 3.47Å; I177-Q181 HydrophobicContact CG2-CG 4.31Å; I177-Q181 WeakPolarHBondContact O-CB 3.45Å; I177-Q181 WeakPolarHBondContact O-CG 3.34Å; I177-Q181 PolarHBondContact O-N 3.1Å; I177-I240 HydrophobicContact CG2-CG2 4.27Å; I177-V243 HydrophobicContact CD1-CB 4.35Å; I177-V243 HydrophobicContact CD1-CG1 3.91Å; I177-V243 HydrophobicContact CG1-CB 4.08Å; I177-V243 HydrophobicContact CG1-CG1 3.79Å; I177-D244 HydrophobicContact CD1-CB 4.25Å; I177-V247 HydrophobicContact CD1-CB 4.4Å; I177-V247 HydrophobicContact CD1-CG2 4.09Å |
| 178 | K | 98.7 | Very high | 98.4 | Very high | 138 Ų | 138 | 66.2 Ų | 66.2 | 60% | 0.6 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -58.3 | -43.7 | 178.7 | -73.4 | 175.2 | -178.5 | -178.5 | 0 | 112.4 | Q174 N175 V176 Q181 A182 | Q174-K178 WeakPolarHBondContact O-CG 3.34Å; Q174-K178 PolarHBondContact O-N 3.5Å; N175-K178 PolarHBondContact O-N 3.39Å; V176-K178 PolarHBondContact O-N 3.05Å; K178-Q181 PolarHBondContact O-N 3.3Å; K178-A182 PolarHBondContact O-N 3.48Å |
| 179 | L | 98.8 | Very high | 98.4 | Very high | 109 Ų | 109 | 68.6 Ų | 68.6 | 57% | 0.571 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -66.7 | -41.2 | 177.7 | -68.5 | 172.7 | 0 | 0 | 0 | 111.7 | N175 V176 I177 A182 L183 | N175-L179 WeakPolarHBondContact O-CG 3.46Å; N175-L179 PolarHBondContact O-N 2.91Å; V176-L179 PolarHBondContact O-N 3.15Å; I177-L179 VanDerWaalsContact C-N 3.33Å; I177-L179 PolarHBondContact O-N 3.3Å; L179-A182 PolarHBondContact O-N 3.42Å; L179-L183 WeakPolarHBondContact O-CB 3.47Å; L179-L183 PolarHBondContact O-N 3.5Å |
| 180 | A | 98.7 | Very high | 98.4 | Very high | 7 Ų | 7 | 71.9 Ų | 71.9 | 6% | 0.058 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | V176 I177 L183 A184 F239 I240 | V176-A180 WeakPolarHBondContact O-CB 3.32Å; V176-A180 PolarHBondContact O-N 3.45Å; I177-A180 PolarHBondContact O-N 3.47Å; A180-L183 PolarHBondContact O-N 3.47Å; A180-A184 WeakPolarHBondContact O-CB 3.35Å; A180-A184 PolarHBondContact O-N 2.98Å; A180-F239 HydrophobicContact CB-CD1 4.17Å; A180-F239 HydrophobicContact CB-CE1 4.18Å; A180-I240 HydrophobicContact CB-CD1 4.1Å; A180-I240 HydrophobicContact CB-CG1 3.64Å |
| 181 | Q | 98.8 | Very high | 98.4 | Very high | 83 Ų | 83 | 70.1 Ų | 70.1 | 39% | 0.388 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 173.4 | -73.8 | 169.9 | -20.2 | 0 | 0 | 111.6 | I177 K178 L183 A184 N185 I240 | I177-Q181 HydrophobicContact CG2-CG 4.31Å; I177-Q181 WeakPolarHBondContact O-CB 3.45Å; I177-Q181 WeakPolarHBondContact O-CG 3.34Å; I177-Q181 PolarHBondContact O-N 3.1Å; K178-Q181 PolarHBondContact O-N 3.3Å; Q181-L183 VanDerWaalsContact C-N 3.33Å; Q181-L183 PolarHBondContact O-N 3.34Å; Q181-A184 PolarHBondContact O-N 2.89Å; Q181-N185 WeakPolarHBondContact O-CB 3.47Å; Q181-N185 PolarHBondContact O-N 3.32Å; Q181-N185 PolarHBondContact O-ND2 2.91Å; Q181-I240 HydrophobicContact CB-CD1 4.43Å; Q181-I240 HydrophobicContact CG-CD1 3.86Å; Q181-I240 HydrophobicContact CG-CG1 4.31Å; Q181-I240 HydrophobicContact CG-CG2 4.03Å |
| 182 | A | 98.8 | Very high | 98.4 | Very high | 43 Ų | 43 | 68.5 Ų | 68.5 | 36% | 0.355 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | K178 L179 N185 Q186 | K178-A182 PolarHBondContact O-N 3.48Å; L179-A182 PolarHBondContact O-N 3.42Å; A182-N185 PolarHBondContact O-N 2.88Å; A182-Q186 WeakPolarHBondContact O-CB 3.44Å; A182-Q186 VanDerWaalsContact O-CG 3.29Å; A182-Q186 WeakPolarHBondContact O-CG 3.46Å; A182-Q186 PolarHBondContact O-N 3.31Å |
| 183 | L | 98.5 | Very high | 98.4 | Very high | 72 Ų | 72 | 67.8 Ų | 67.8 | 38% | 0.377 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61 | -45.4 | 176.1 | 180 | 63.9 | 0 | 0 | 0 | 112 | L179 A180 Q181 N185 Q186 L187 I236 F334 | L179-L183 WeakPolarHBondContact O-CB 3.47Å; L179-L183 PolarHBondContact O-N 3.5Å; A180-L183 PolarHBondContact O-N 3.47Å; Q181-L183 VanDerWaalsContact C-N 3.33Å; Q181-L183 PolarHBondContact O-N 3.34Å; L183-N185 PolarHBondContact O-N 3.09Å; L183-Q186 PolarHBondContact O-N 3.4Å; L183-L187 VanDerWaalsContact O-CB 3.3Å; L183-L187 WeakPolarHBondContact O-CB 3.48Å; L183-L187 PolarHBondContact O-N 3.07Å; L183-I236 HydrophobicContact CD2-CD1 4.06Å; L183-I236 HydrophobicContact CG-CD1 4.18Å; L183-F334 HydrophobicContact CD2-CZ 4.21Å |
| 184 | A | 98.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 67.2 Ų | 67.2 | 3% | 0.033 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A180 Q181 L187 S188 L233 I236 I240 | A180-A184 WeakPolarHBondContact O-CB 3.35Å; A180-A184 PolarHBondContact O-N 2.98Å; Q181-A184 PolarHBondContact O-N 2.89Å; A184-L187 PolarHBondContact O-N 3.47Å; A184-S188 WeakPolarHBondContact O-CB 3.48Å; A184-S188 PolarHBondContact O-N 2.91Å; A184-L233 HydrophobicContact CB-CD1 3.88Å; A184-L233 WeakPolarHBondContact O-CD1 3.49Å; A184-I236 HydrophobicContact CB-CG2 3.82Å; A184-I240 HydrophobicContact CB-CD1 4.23Å |
| 185 | N | 98.6 | Very high | 98.3 | Very high | 103 Ų | 103 | 68.6 Ų | 68.6 | 55% | 0.551 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.5 | -45.6 | 178.4 | -70.6 | -21.7 | 0 | 0 | 0 | 111.6 | Q181 A182 L183 S188 Q189 | Q181-N185 WeakPolarHBondContact O-CB 3.47Å; Q181-N185 PolarHBondContact O-N 3.32Å; Q181-N185 PolarHBondContact O-ND2 2.91Å; A182-N185 PolarHBondContact O-N 2.88Å; L183-N185 PolarHBondContact O-N 3.09Å; N185-S188 PolarHBondContact O-N 3.09Å; N185-Q189 WeakPolarHBondContact O-CG 3.45Å; N185-Q189 PolarHBondContact O-N 2.95Å; N185-Q189 VanDerWaalsContact O-N 3.09Å |
| 186 | Q | 98.4 | Very high | 98.3 | Very high | 114 Ų | 114 | 69.9 Ų | 69.9 | 53% | 0.533 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 177 | -73.1 | 173.6 | -25.2 | 0 | 0 | 111.6 | A182 L183 S188 Q189 I190 | A182-Q186 WeakPolarHBondContact O-CB 3.44Å; A182-Q186 VanDerWaalsContact O-CG 3.29Å; A182-Q186 WeakPolarHBondContact O-CG 3.46Å; A182-Q186 PolarHBondContact O-N 3.31Å; L183-Q186 PolarHBondContact O-N 3.4Å; Q186-S188 VanDerWaalsContact C-N 3.31Å; Q186-S188 PolarHBondContact O-N 3.3Å; Q186-Q189 PolarHBondContact O-N 3.02Å; Q186-I190 WeakPolarHBondContact O-CG1 3.39Å; Q186-I190 PolarHBondContact O-N 3.3Å |
| 187 | L | 97.9 | Very high | 98.3 | Very high | 15 Ų | 15 | 70.4 Ų | 70.4 | 8% | 0.079 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.1 | -42.9 | 176.1 | 179 | 60.8 | 0 | 0 | 0 | 111.4 | L183 A184 Q189 I190 M191 L232 L233 I236 | L183-L187 VanDerWaalsContact O-CB 3.3Å; L183-L187 WeakPolarHBondContact O-CB 3.48Å; L183-L187 PolarHBondContact O-N 3.07Å; A184-L187 PolarHBondContact O-N 3.47Å; L187-Q189 VanDerWaalsContact C-N 3.34Å; L187-Q189 PolarHBondContact O-N 3.44Å; L187-I190 PolarHBondContact O-N 3.45Å; L187-M191 HydrophobicContact CD1-CG 4.3Å; L187-M191 HydrophobicContact CD1-SD 4.29Å; L187-M191 HydrophobicContact CG-CG 4.47Å; L187-M191 HydrophobicContact CG-SD 3.92Å; L187-M191 WeakPolarHBondContact O-CB 3.33Å; L187-M191 VanDerWaalsContact O-CG 3.22Å; L187-M191 WeakPolarHBondContact O-CG 3.5Å; L187-M191 PolarHBondContact O-N 2.79Å; L187-L232 HydrophobicContact CD2-CB 4.17Å; L187-L232 HydrophobicContact CD2-CD2 3.73Å; L187-L232 HydrophobicContact CD2-CG 3.74Å; L187-L233 HydrophobicContact CD2-CB 4.06Å; L187-L233 HydrophobicContact CD2-CD1 4.35Å; L187-I236 HydrophobicContact CD2-CD1 3.89Å |
| 188 | S | 98.3 | Very high | 98.3 | Very high | 57 Ų | 57 | 70.1 Ų | 70.1 | 40% | 0.399 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 175.9 | -176.2 | 0 | 0 | 0 | 0 | 112.3 | A184 N185 Q186 M191 Q192 | A184-S188 WeakPolarHBondContact O-CB 3.48Å; A184-S188 PolarHBondContact O-N 2.91Å; N185-S188 PolarHBondContact O-N 3.09Å; Q186-S188 VanDerWaalsContact C-N 3.31Å; Q186-S188 PolarHBondContact O-N 3.3Å; S188-M191 PolarHBondContact O-N 3.38Å; S188-Q192 PolarHBondContact O-N 3.42Å |
| 189 | Q | 98.4 | Very high | 98.2 | Very high | 123 Ų | 123 | 67.7 Ų | 67.7 | 58% | 0.575 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -66.1 | -41.5 | 176.3 | -68.9 | 173.5 | 5.7 | 0 | 0 | 112.5 | N185 Q186 L187 M191 Q192 T193 | N185-Q189 WeakPolarHBondContact O-CG 3.45Å; N185-Q189 PolarHBondContact O-N 2.95Å; N185-Q189 VanDerWaalsContact O-N 3.09Å; Q186-Q189 PolarHBondContact O-N 3.02Å; L187-Q189 VanDerWaalsContact C-N 3.34Å; L187-Q189 PolarHBondContact O-N 3.44Å; Q189-M191 VanDerWaalsContact C-N 3.35Å; Q189-Q192 PolarHBondContact O-N 2.85Å; Q189-T193 PolarHBondContact O-N 3.45Å; Q189-T193 PolarHBondContact O-OG1 3.48Å |
| 190 | I | 97.8 | Very high | 98.2 | Very high | 91 Ų | 91 | 64.7 Ų | 64.7 | 47% | 0.467 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.4 | -50 | 173.5 | -70.9 | 166.7 | 0 | 0 | 0 | 109.4 | Q186 L187 Q192 T193 Q194 | Q186-I190 WeakPolarHBondContact O-CG1 3.39Å; Q186-I190 PolarHBondContact O-N 3.3Å; L187-I190 PolarHBondContact O-N 3.45Å; I190-Q192 VanDerWaalsContact C-N 3.32Å; I190-Q192 PolarHBondContact O-N 3.44Å; I190-T193 WeakPolarHBondContact O-CB 3.37Å; I190-T193 PolarHBondContact O-N 2.96Å; I190-T193 VanDerWaalsContact O-N 3.13Å; I190-Q194 HydrophobicContact CG2-CG 4.2Å; I190-Q194 VanDerWaalsContact O-CG 3.29Å; I190-Q194 WeakPolarHBondContact O-CG 3.3Å; I190-Q194 PolarHBondContact O-N 3.26Å |
| 191 | M | 97.5 | Very high | 98.2 | Very high | 11 Ų | 11 | 66.4 Ų | 66.4 | 5% | 0.054 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.1 | -40 | -179.5 | -71.7 | 165.1 | 59.4 | 0 | 0 | 112.5 | L187 S188 Q189 Q194 K195 S226 E230 L233 | L187-M191 HydrophobicContact CD1-CG 4.3Å; L187-M191 HydrophobicContact CD1-SD 4.29Å; L187-M191 HydrophobicContact CG-CG 4.47Å; L187-M191 HydrophobicContact CG-SD 3.92Å; L187-M191 WeakPolarHBondContact O-CB 3.33Å; L187-M191 VanDerWaalsContact O-CG 3.22Å; L187-M191 WeakPolarHBondContact O-CG 3.5Å; L187-M191 PolarHBondContact O-N 2.79Å; S188-M191 PolarHBondContact O-N 3.38Å; Q189-M191 VanDerWaalsContact C-N 3.35Å; M191-Q194 PolarHBondContact O-N 2.91Å; M191-K195 WeakPolarHBondContact O-CG 3.37Å; M191-K195 PolarHBondContact O-N 3.47Å; M191-S226 WeakPolarHBondContact CE-O 3.18Å; M191-S226 PolarHBondContact O-OG 3.19Å; M191-E230 HydrophobicContact CE-CB 4.16Å; M191-E230 HydrophobicContact CE-CG 3.39Å; M191-L233 HydrophobicContact CE-CD2 4.44Å; M191-L233 HydrophobicContact SD-CB 4.36Å; M191-L233 HydrophobicContact SD-CD2 4.23Å |
| 192 | Q | 97.7 | Very high | 98.1 | Very high | 115 Ų | 115 | 63.7 Ų | 63.7 | 54% | 0.537 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 175.5 | -177.8 | 178.5 | 4.6 | 0 | 0 | 111.3 | S188 Q189 I190 Q194 K195 Q196 | S188-Q192 PolarHBondContact O-N 3.42Å; Q189-Q192 PolarHBondContact O-N 2.85Å; I190-Q192 VanDerWaalsContact C-N 3.32Å; I190-Q192 PolarHBondContact O-N 3.44Å; Q192-Q194 VanDerWaalsContact C-N 3.34Å; Q192-Q194 PolarHBondContact O-N 3.32Å; Q192-K195 PolarHBondContact O-N 3.35Å; Q192-Q196 PolarHBondContact O-N 3.21Å; Q192-Q196 VanDerWaalsContact O-N 3.12Å |
| 193 | T | 98.3 | Very high | 98.1 | Very high | 84 Ų | 84 | 65 Ų | 65 | 52% | 0.515 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 178 | -54 | 0 | 0 | 0 | 0 | 111.1 | Q189 I190 K195 Q196 L197 | Q189-T193 PolarHBondContact O-N 3.45Å; Q189-T193 PolarHBondContact O-OG1 3.48Å; I190-T193 WeakPolarHBondContact O-CB 3.37Å; I190-T193 PolarHBondContact O-N 2.96Å; I190-T193 VanDerWaalsContact O-N 3.13Å; T193-K195 PolarHBondContact O-N 3.03Å; T193-Q196 PolarHBondContact O-N 3.38Å; T193-L197 VanDerWaalsContact O-CB 3.31Å; T193-L197 WeakPolarHBondContact O-CB 3.43Å; T193-L197 PolarHBondContact O-N 3.3Å |
| 194 | Q | 97.6 | Very high | 98.1 | Very high | 23 Ų | 23 | 64.8 Ų | 64.8 | 11% | 0.107 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 174.6 | -70.5 | 177 | -33.4 | 0 | 0 | 111.9 | I190 M191 Q192 L197 G198 Q222 | I190-Q194 HydrophobicContact CG2-CG 4.2Å; I190-Q194 VanDerWaalsContact O-CG 3.29Å; I190-Q194 WeakPolarHBondContact O-CG 3.3Å; I190-Q194 PolarHBondContact O-N 3.26Å; M191-Q194 PolarHBondContact O-N 2.91Å; Q192-Q194 VanDerWaalsContact C-N 3.34Å; Q192-Q194 PolarHBondContact O-N 3.32Å; Q194-L197 PolarHBondContact O-N 3.13Å; Q194-G198 PolarHBondContact O-N 3.42Å; Q194-Q222 WeakPolarHBondContact O-CB 3.19Å |
| 195 | K | 97.8 | Very high | 98 | Very high | 92 Ų | 92 | 65 Ų | 65 | 40% | 0.4 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.7 | -50.3 | 175.4 | -68.7 | -178.9 | -175.2 | -172.7 | 0 | 111.1 | M191 Q192 T193 L197 G198 D199 S226 E230 | M191-K195 WeakPolarHBondContact O-CG 3.37Å; M191-K195 PolarHBondContact O-N 3.47Å; Q192-K195 PolarHBondContact O-N 3.35Å; T193-K195 PolarHBondContact O-N 3.03Å; K195-L197 PolarHBondContact O-N 3.21Å; K195-G198 PolarHBondContact O-N 2.87Å; K195-D199 PolarHBondContact O-N 2.89Å; K195-S226 WeakPolarHBondContact CE-OG 3.38Å; K195-S226 WeakPolarHBondContact CG-OG 3.48Å; K195-E230 IonicContact NZ-OE1 2.82Å; K195-E230 PolarHBondContact NZ-OE1 2.86Å |
| 196 | Q | 98.3 | Very high | 97.8 | Very high | 117 Ų | 117 | 66.7 Ų | 66.7 | 55% | 0.547 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | -179.9 | -69 | 176.2 | 1.2 | 0 | 0 | 112.4 | Q192 T193 D199 A200 | Q192-Q196 PolarHBondContact O-N 3.21Å; Q192-Q196 VanDerWaalsContact O-N 3.12Å; T193-Q196 PolarHBondContact O-N 3.38Å; Q196-D199 PolarHBondContact O-N 2.91Å; Q196-A200 PolarHBondContact O-N 2.99Å |
| 197 | L | 98.2 | Very high | 97.7 | Very high | 71 Ų | 71 | 67.8 Ų | 67.8 | 37% | 0.372 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 177.2 | -173.2 | 60.9 | 0 | 0 | 0 | 111.5 | T193 Q194 K195 D199 A200 F201 Q222 | T193-L197 VanDerWaalsContact O-CB 3.31Å; T193-L197 WeakPolarHBondContact O-CB 3.43Å; T193-L197 PolarHBondContact O-N 3.3Å; Q194-L197 PolarHBondContact O-N 3.13Å; K195-L197 PolarHBondContact O-N 3.21Å; L197-D199 VanDerWaalsContact C-N 3.34Å; L197-D199 PolarHBondContact O-N 3.16Å; L197-A200 PolarHBondContact O-N 3.41Å; L197-F201 HydrophobicContact CD1-CD2 4.29Å; L197-F201 HydrophobicContact CD1-CE1 4.39Å; L197-F201 HydrophobicContact CD1-CE2 3.77Å; L197-F201 HydrophobicContact CD1-CZ 3.83Å; L197-F201 HydrophobicContact CD2-CE2 3.94Å; L197-F201 HydrophobicContact CD2-CZ 4.46Å; L197-F201 HydrophobicContact CG-CD2 3.95Å; L197-F201 HydrophobicContact CG-CE2 3.52Å; L197-F201 HydrophobicContact CG-CZ 4.11Å; L197-F201 WeakPolarHBondContact O-CD2 3.49Å; L197-F201 WeakPolarHBondContact O-CG 3.46Å; L197-F201 PolarHBondContact O-N 3.26Å; L197-Q222 HydrophobicContact CB-CG 4.46Å; L197-Q222 HydrophobicContact CD2-CG 4.11Å; L197-Q222 HydrophobicContact CG-CG 4.22Å |
| 198 | G | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63 | -37.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q194 K195 A202 A219 R223 | Q194-G198 PolarHBondContact O-N 3.42Å; K195-G198 PolarHBondContact O-N 2.87Å; G198-A202 WeakPolarHBondContact O-CB 3.37Å; G198-A202 PolarHBondContact O-N 3.46Å; G198-A219 WeakPolarHBondContact O-CB 3.39Å; G198-R223 PolarHBondContact O-NH2 3.26Å |
| 199 | D | 98.2 | Very high | 97.2 | Very high | 87 Ų | 87 | 71.3 Ų | 71.3 | 47% | 0.465 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -70 | -41 | 175.3 | -70.5 | -27.8 | 0 | 0 | 0 | 112.1 | K195 Q196 L197 A202 D203 R223 | K195-D199 PolarHBondContact O-N 2.89Å; Q196-D199 PolarHBondContact O-N 2.91Å; L197-D199 VanDerWaalsContact C-N 3.34Å; L197-D199 PolarHBondContact O-N 3.16Å; D199-A202 PolarHBondContact O-N 3.48Å; D199-D203 PolarHBondContact O-N 3.41Å; D199-R223 IonicContact OD1-CZ 3.46Å; D199-R223 VanDerWaalsContact OD1-CZ 3.31Å; D199-R223 IonicContact OD1-NH1 2.76Å; D199-R223 PolarHBondContact OD1-NH1 2.94Å; D199-R223 IonicContact OD1-NH2 3.22Å; D199-R223 PolarHBondContact OD1-NH2 3.44Å; D199-R223 VanDerWaalsContact OD1-NH2 3.07Å |
| 200 | A | 98.4 | Very high | 96.8 | Very high | 47 Ų | 47 | 74.5 Ų | 74.5 | 39% | 0.388 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q196 L197 D203 L204 | Q196-A200 PolarHBondContact O-N 2.99Å; L197-A200 PolarHBondContact O-N 3.41Å; A200-D203 PolarHBondContact O-N 2.92Å; A200-L204 WeakPolarHBondContact O-CG 3.44Å; A200-L204 PolarHBondContact O-N 3.47Å |
| 201 | F | 98.1 | Very high | 96.5 | Very high | 42 Ų | 42 | 74 Ų | 74 | 18% | 0.184 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.1 | -40.4 | 175.4 | -73.5 | -37.8 | 0 | 0 | 0 | 112.6 | L197 D203 L204 S205 F215 N218 A219 Q222 | L197-F201 HydrophobicContact CD1-CD2 4.29Å; L197-F201 HydrophobicContact CD1-CE1 4.39Å; L197-F201 HydrophobicContact CD1-CE2 3.77Å; L197-F201 HydrophobicContact CD1-CZ 3.83Å; L197-F201 HydrophobicContact CD2-CE2 3.94Å; L197-F201 HydrophobicContact CD2-CZ 4.46Å; L197-F201 HydrophobicContact CG-CD2 3.95Å; L197-F201 HydrophobicContact CG-CE2 3.52Å; L197-F201 HydrophobicContact CG-CZ 4.11Å; L197-F201 WeakPolarHBondContact O-CD2 3.49Å; L197-F201 WeakPolarHBondContact O-CG 3.46Å; L197-F201 PolarHBondContact O-N 3.26Å; F201-D203 VanDerWaalsContact C-N 3.32Å; F201-D203 PolarHBondContact O-N 3.38Å; F201-L204 PolarHBondContact O-N 3.14Å; F201-S205 WeakPolarHBondContact O-CB 3.29Å; F201-S205 PolarHBondContact O-N 2.88Å; F201-F215 AromaticContact CD1-CD1 3.57Å; F201-F215 HydrophobicContact CD1-CD1 3.57Å; F201-F215 AromaticContact CD1-CE1 3.95Å; F201-F215 HydrophobicContact CD1-CE1 3.95Å; F201-F215 HydrophobicContact CE1-CD1 4.15Å; F201-F215 HydrophobicContact CE1-CE1 4.19Å; F201-F215 HydrophobicContact CG-CD1 4.43Å; F201-F215 WeakPolarHBondContact O-CB 3.4Å; F201-N218 HydrophobicContact CD2-CB 3.54Å; F201-N218 HydrophobicContact CE2-CB 3.66Å; F201-N218 HydrophobicContact CG-CB 4Å; F201-N218 HydrophobicContact CZ-CB 4.21Å; F201-A219 HydrophobicContact CB-CB 3.73Å; F201-Q222 HydrophobicContact CD2-CG 4.35Å; F201-Q222 HydrophobicContact CE2-CG 4.35Å |
| 202 | A | 97.7 | Very high | 96.1 | Very high | 26 Ų | 26 | 77.7 Ų | 77.7 | 22% | 0.215 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G198 D199 S205 L206 A219 | G198-A202 WeakPolarHBondContact O-CB 3.37Å; G198-A202 PolarHBondContact O-N 3.46Å; D199-A202 PolarHBondContact O-N 3.48Å; A202-S205 WeakPolarHBondContact O-CB 3.41Å; A202-S205 PolarHBondContact O-N 2.86Å; A202-L206 WeakPolarHBondContact O-CG 3.45Å; A202-L206 PolarHBondContact O-N 3.02Å; A202-A219 HydrophobicContact CB-CB 4.01Å |
| 203 | D | 98.1 | Very high | 95.6 | Very high | 71 Ų | 71 | 75.9 Ų | 75.9 | 38% | 0.38 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 175.3 | -178.5 | 63.6 | 0 | 0 | 0 | 112 | D199 A200 F201 S205 L206 K207 | D199-D203 PolarHBondContact O-N 3.41Å; A200-D203 PolarHBondContact O-N 2.92Å; F201-D203 VanDerWaalsContact C-N 3.32Å; F201-D203 PolarHBondContact O-N 3.38Å; D203-S205 PolarHBondContact O-N 2.93Å; D203-L206 PolarHBondContact O-N 2.95Å; D203-K207 WeakPolarHBondContact O-CG 3.26Å; D203-K207 PolarHBondContact O-N 3.35Å; D203-K207 WeakPolarHBondContact OD1-CE 3.47Å; D203-K207 IonicContact OD1-NZ 2.86Å; D203-K207 PolarHBondContact OD1-NZ 3.16Å; D203-K207 WeakPolarHBondContact OD2-CE 3.22Å; D203-K207 IonicContact OD2-NZ 2.68Å; D203-K207 PolarHBondContact OD2-NZ 3.22Å |
| 204 | L | 97.7 | Very high | 95.1 | Very high | 68 Ų | 68 | 76 Ų | 76 | 36% | 0.356 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.9 | -36.3 | 176.8 | -71.7 | 173.2 | 0 | 0 | 0 | 112.8 | A200 F201 L206 K207 S208 F215 | A200-L204 WeakPolarHBondContact O-CG 3.44Å; A200-L204 PolarHBondContact O-N 3.47Å; F201-L204 PolarHBondContact O-N 3.14Å; L204-L206 VanDerWaalsContact C-N 3.27Å; L204-L206 PolarHBondContact O-N 3.4Å; L204-K207 PolarHBondContact O-N 3.01Å; L204-S208 WeakPolarHBondContact O-CB 3.44Å; L204-S208 PolarHBondContact O-N 3.37Å; L204-S208 PolarHBondContact O-OG 3.06Å; L204-S208 VanDerWaalsContact O-OG 3.11Å; L204-F215 HydrophobicContact CB-CD1 3.97Å; L204-F215 HydrophobicContact CB-CD2 3.85Å; L204-F215 HydrophobicContact CB-CE1 4.04Å; L204-F215 HydrophobicContact CB-CE2 3.93Å; L204-F215 HydrophobicContact CB-CG 3.88Å; L204-F215 HydrophobicContact CB-CZ 4.03Å; L204-F215 HydrophobicContact CD1-CD1 4.23Å; L204-F215 HydrophobicContact CD1-CE1 3.67Å; L204-F215 HydrophobicContact CD1-CZ 3.87Å; L204-F215 HydrophobicContact CG-CZ 4.49Å |
| 205 | S | 96.5 | Very high | 94.9 | Very high | 7 Ų | 7 | 77 Ų | 77 | 5% | 0.049 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.5 | -38.2 | 174.6 | 175.8 | 0 | 0 | 0 | 0 | 112 | F201 A202 D203 H212 | F201-S205 WeakPolarHBondContact O-CB 3.29Å; F201-S205 PolarHBondContact O-N 2.88Å; A202-S205 WeakPolarHBondContact O-CB 3.41Å; A202-S205 PolarHBondContact O-N 2.86Å; D203-S205 PolarHBondContact O-N 2.93Å; S205-H212 PolarHBondContact O-ND1 2.96Å; S205-H212 PolarHBondContact OG-CE1 3.03Å; S205-H212 VanDerWaalsContact OG-CE1 3.25Å; S205-H212 PolarHBondContact OG-ND1 3.44Å; S205-H212 PolarHBondContact OG-O 3.06Å |
| 206 | L | 95.9 | Very high | 94.7 | Very high | 139 Ų | 139 | 73.4 Ų | 73.4 | 73% | 0.728 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -76.8 | -28.5 | 177.7 | -65.3 | 174.6 | 0 | 0 | 0 | 113.1 | A202 D203 L204 | A202-L206 WeakPolarHBondContact O-CG 3.45Å; A202-L206 PolarHBondContact O-N 3.02Å; D203-L206 PolarHBondContact O-N 2.95Å; L204-L206 VanDerWaalsContact C-N 3.27Å; L204-L206 PolarHBondContact O-N 3.4Å |
| 207 | K | 96.3 | Very high | 94.2 | Very high | 137 Ų | 137 | 69 Ų | 69 | 60% | 0.596 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -92.2 | -16.8 | -175.8 | -69.8 | 173.4 | -178.7 | 167.7 | 0 | 114.2 | D203 L204 P209 | D203-K207 WeakPolarHBondContact O-CG 3.26Å; D203-K207 PolarHBondContact O-N 3.35Å; D203-K207 WeakPolarHBondContact OD1-CE 3.47Å; D203-K207 IonicContact OD1-NZ 2.86Å; D203-K207 PolarHBondContact OD1-NZ 3.16Å; D203-K207 WeakPolarHBondContact OD2-CE 3.22Å; D203-K207 IonicContact OD2-NZ 2.68Å; D203-K207 PolarHBondContact OD2-NZ 3.22Å; L204-K207 PolarHBondContact O-N 3.01Å; K207-P209 WeakPolarHBondContact O-CD 3.48Å |
| 208 | S | 93.8 | Very high | 93.9 | Very high | 36 Ų | 36 | 68.8 Ų | 68.8 | 25% | 0.252 | 36% | 0.364 | S | S | . | . | trans | -123.9 | 83 | -175.2 | -44.7 | 0 | 0 | 0 | 0 | 110.1 | L204 E210 L211 H212 | L204-S208 WeakPolarHBondContact O-CB 3.44Å; L204-S208 PolarHBondContact O-N 3.37Å; L204-S208 PolarHBondContact O-OG 3.06Å; L204-S208 VanDerWaalsContact O-OG 3.11Å; S208-E210 PolarHBondContact O-N 2.91Å; S208-E210 VanDerWaalsContact O-N 3.17Å; S208-L211 CarbonylContact O-C 3.41Å; S208-L211 PolarHBondContact O-N 2.95Å; S208-H212 PolarHBondContact O-N 3.43Å | ||
| 209 | P | 90.7 | Very high | 93.8 | Very high | 111 Ų | 111 | 68.9 Ų | 68.9 | 72% | 0.721 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -55.7 | -35 | -175.5 | -26.8 | 35.1 | 0 | 0 | 0 | 114.1 | K207 L211 H212 | K207-P209 WeakPolarHBondContact O-CD 3.48Å; P209-L211 PolarHBondContact O-N 2.88Å; P209-H212 WeakPolarHBondContact O-CB 3.3Å; P209-H212 PolarHBondContact O-N 2.69Å |
| 210 | E | 91.6 | Very high | 93.5 | Very high | 189 Ų | 189 | 69.7 Ų | 69.7 | 88% | 0.883 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -66.8 | -22.5 | 178.2 | -63.8 | 173.1 | -170.3 | 0 | 0 | 113.6 | S208 | S208-E210 PolarHBondContact O-N 2.91Å; S208-E210 VanDerWaalsContact O-N 3.17Å |
| 211 | L | 89.9 | Confident | 93.2 | Very high | 80 Ų | 80 | 68.7 Ų | 68.7 | 42% | 0.419 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -121.1 | 17.2 | -178.4 | -64.1 | 174.8 | 0 | 0 | 0 | 112.1 | S208 P209 E213 E214 F215 | S208-L211 CarbonylContact O-C 3.41Å; S208-L211 PolarHBondContact O-N 2.95Å; P209-L211 PolarHBondContact O-N 2.88Å; L211-E213 VanDerWaalsContact C-N 3.26Å; L211-E213 PolarHBondContact O-N 3.49Å; L211-E214 VanDerWaalsContact C-OE2 3.28Å; L211-E214 VanDerWaalsContact CA-OE2 3.3Å; L211-E214 WeakPolarHBondContact CA-OE2 3.43Å; L211-E214 PolarHBondContact O-N 3.3Å; L211-F215 HydrophobicContact CB-CD2 3.66Å; L211-F215 HydrophobicContact CB-CE2 3.71Å; L211-F215 HydrophobicContact CD1-CE2 3.8Å; L211-F215 HydrophobicContact CD1-CZ 4.43Å; L211-F215 HydrophobicContact CG-CE2 4.43Å; L211-F215 WeakPolarHBondContact O-CD2 3.47Å; L211-F215 PolarHBondContact O-N 3.39Å; L211-F215 VanDerWaalsContact O-N 3.13Å |
| 212 | H | 90.3 | Very high | 93.1 | Very high | 89 Ų | 89 | 68.4 Ų | 68.4 | 41% | 0.412 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -55.5 | -45.4 | -171.9 | 173.2 | 67.9 | 0 | 0 | 0 | 111.3 | S205 S208 P209 G216 | S205-H212 PolarHBondContact O-ND1 2.96Å; S205-H212 PolarHBondContact OG-CE1 3.03Å; S205-H212 VanDerWaalsContact OG-CE1 3.25Å; S205-H212 PolarHBondContact OG-ND1 3.44Å; S205-H212 PolarHBondContact OG-O 3.06Å; S208-H212 PolarHBondContact O-N 3.43Å; P209-H212 WeakPolarHBondContact O-CB 3.3Å; P209-H212 PolarHBondContact O-N 2.69Å; H212-G216 PolarHBondContact O-N 3.46Å |
| 213 | E | 87.3 | Confident | 92.9 | Very high | 78 Ų | 78 | 72.4 Ų | 72.4 | 36% | 0.364 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -71 | -46.9 | -175.5 | -65.4 | -150.9 | 155.4 | 0 | 0 | 112.1 | L211 F215 G216 Y217 K359 | L211-E213 VanDerWaalsContact C-N 3.26Å; L211-E213 PolarHBondContact O-N 3.49Å; E213-F215 PolarHBondContact O-N 2.89Å; E213-G216 WeakPolarHBondContact O-CA 3.35Å; E213-G216 PolarHBondContact O-N 3.38Å; E213-G216 VanDerWaalsContact O-N 3.09Å; E213-Y217 HydrophobicContact CB-CD2 4.39Å; E213-Y217 HydrophobicContact CB-CE2 3.62Å; E213-Y217 VanDerWaalsContact CD-OH 3.28Å; E213-Y217 WeakPolarHBondContact O-CD2 3.47Å; E213-Y217 WeakPolarHBondContact O-CE2 3.43Å; E213-Y217 VanDerWaalsContact O-CG 3.29Å; E213-Y217 PolarHBondContact O-N 2.79Å; E213-Y217 PolarHBondContact OE2-OH 3.39Å; E213-K359 VanDerWaalsContact CD-NZ 3.35Å; E213-K359 IonicContact OE1-NZ 3.37Å; E213-K359 PolarHBondContact OE1-NZ 3.26Å; E213-K359 WeakPolarHBondContact OE2-CD 3.49Å; E213-K359 IonicContact OE2-NZ 2.63Å; E213-K359 PolarHBondContact OE2-NZ 2.99Å |
| 214 | E | 87.6 | Confident | 92.6 | Very high | 86 Ų | 86 | 71.2 Ų | 71.2 | 40% | 0.402 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.2 | -47.1 | -178.9 | -66.6 | 81 | 175.9 | 0 | 0 | 111.2 | L211 N218 | L211-E214 VanDerWaalsContact C-OE2 3.28Å; L211-E214 VanDerWaalsContact CA-OE2 3.3Å; L211-E214 WeakPolarHBondContact CA-OE2 3.43Å; L211-E214 PolarHBondContact O-N 3.3Å; E214-N218 PolarHBondContact O-N 3.16Å; E214-N218 PolarHBondContact O-ND2 3.23Å |
| 215 | F | 93.8 | Very high | 92.4 | Very high | 44 Ų | 44 | 69.9 Ų | 69.9 | 19% | 0.193 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.6 | -39.5 | 175 | -77.9 | -53.8 | 0 | 0 | 0 | 111.6 | F201 L204 L211 E213 N218 A219 | F201-F215 AromaticContact CD1-CD1 3.57Å; F201-F215 HydrophobicContact CD1-CD1 3.57Å; F201-F215 AromaticContact CD1-CE1 3.95Å; F201-F215 HydrophobicContact CD1-CE1 3.95Å; F201-F215 HydrophobicContact CE1-CD1 4.15Å; F201-F215 HydrophobicContact CE1-CE1 4.19Å; F201-F215 HydrophobicContact CG-CD1 4.43Å; F201-F215 WeakPolarHBondContact O-CB 3.4Å; L204-F215 HydrophobicContact CB-CD1 3.97Å; L204-F215 HydrophobicContact CB-CD2 3.85Å; L204-F215 HydrophobicContact CB-CE1 4.04Å; L204-F215 HydrophobicContact CB-CE2 3.93Å; L204-F215 HydrophobicContact CB-CG 3.88Å; L204-F215 HydrophobicContact CB-CZ 4.03Å; L204-F215 HydrophobicContact CD1-CD1 4.23Å; L204-F215 HydrophobicContact CD1-CE1 3.67Å; L204-F215 HydrophobicContact CD1-CZ 3.87Å; L204-F215 HydrophobicContact CG-CZ 4.49Å; L211-F215 HydrophobicContact CB-CD2 3.66Å; L211-F215 HydrophobicContact CB-CE2 3.71Å; L211-F215 HydrophobicContact CD1-CE2 3.8Å; L211-F215 HydrophobicContact CD1-CZ 4.43Å; L211-F215 HydrophobicContact CG-CE2 4.43Å; L211-F215 WeakPolarHBondContact O-CD2 3.47Å; L211-F215 PolarHBondContact O-N 3.39Å; L211-F215 VanDerWaalsContact O-N 3.13Å; E213-F215 PolarHBondContact O-N 2.89Å; F215-N218 PolarHBondContact O-N 3.47Å; F215-A219 WeakPolarHBondContact O-CB 3.18Å; F215-A219 PolarHBondContact O-N 3.37Å |
| 216 | G | 92.1 | Very high | 92.4 | Very high | 17 Ų | 17 | 69.6 Ų | 69.6 | 18% | 0.175 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.3 | -49.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | H212 E213 N218 A219 D220 | H212-G216 PolarHBondContact O-N 3.46Å; E213-G216 WeakPolarHBondContact O-CA 3.35Å; E213-G216 PolarHBondContact O-N 3.38Å; E213-G216 VanDerWaalsContact O-N 3.09Å; G216-N218 VanDerWaalsContact C-N 3.33Å; G216-N218 PolarHBondContact O-N 2.98Å; G216-A219 WeakPolarHBondContact O-CB 3.27Å; G216-A219 PolarHBondContact O-N 3.01Å; G216-D220 PolarHBondContact O-N 3.07Å |
| 217 | Y | 88.6 | Confident | 92.2 | Very high | 24 Ų | 24 | 69.9 Ų | 69.9 | 9% | 0.094 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62 | -40.7 | 179.2 | -60.1 | -50.2 | 0 | 0 | 0 | 112.9 | E213 T221 F356 K359 | E213-Y217 HydrophobicContact CB-CD2 4.39Å; E213-Y217 HydrophobicContact CB-CE2 3.62Å; E213-Y217 VanDerWaalsContact CD-OH 3.28Å; E213-Y217 WeakPolarHBondContact O-CD2 3.47Å; E213-Y217 WeakPolarHBondContact O-CE2 3.43Å; E213-Y217 VanDerWaalsContact O-CG 3.29Å; E213-Y217 PolarHBondContact O-N 2.79Å; E213-Y217 PolarHBondContact OE2-OH 3.39Å; Y217-T221 WeakPolarHBondContact O-CB 3.48Å; Y217-T221 PolarHBondContact O-N 3.18Å; Y217-T221 PolarHBondContact O-OG1 2.86Å; Y217-F356 HydrophobicContact CD2-CD1 4.42Å; Y217-F356 HydrophobicContact CD2-CD2 4.39Å; Y217-F356 AromaticContact CD2-CE1 3.69Å; Y217-F356 HydrophobicContact CD2-CE1 3.69Å; Y217-F356 AromaticContact CD2-CE2 3.65Å; Y217-F356 HydrophobicContact CD2-CE2 3.65Å; Y217-F356 AromaticContact CD2-CZ 3.25Å; Y217-F356 HydrophobicContact CD2-CZ 3.25Å; Y217-F356 HydrophobicContact CE2-CE1 4.21Å; Y217-F356 HydrophobicContact CE2-CZ 4.17Å; Y217-F356 AromaticContact CG-CE2 3.76Å; Y217-F356 HydrophobicContact CG-CE2 3.76Å; Y217-F356 AromaticContact CG-CZ 3.76Å; Y217-F356 HydrophobicContact CG-CZ 3.76Å; Y217-K359 WeakPolarHBondContact OH-CD 3.47Å; Y217-K359 VanDerWaalsContact OH-CE 3.25Å; Y217-K359 WeakPolarHBondContact OH-CE 3.5Å; Y217-K359 PolarHBondContact OH-NZ 2.84Å |
| 218 | N | 91.6 | Very high | 92 | Very high | 67 Ų | 67 | 65.6 Ų | 65.6 | 36% | 0.358 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.3 | -40.2 | 177 | -80.8 | -79.1 | 0 | 0 | 0 | 111 | F201 E214 F215 G216 D220 T221 Q222 | F201-N218 HydrophobicContact CD2-CB 3.54Å; F201-N218 HydrophobicContact CE2-CB 3.66Å; F201-N218 HydrophobicContact CG-CB 4Å; F201-N218 HydrophobicContact CZ-CB 4.21Å; E214-N218 PolarHBondContact O-N 3.16Å; E214-N218 PolarHBondContact O-ND2 3.23Å; F215-N218 PolarHBondContact O-N 3.47Å; G216-N218 VanDerWaalsContact C-N 3.33Å; G216-N218 PolarHBondContact O-N 2.98Å; N218-D220 PolarHBondContact O-N 3.26Å; N218-T221 PolarHBondContact O-N 3.29Å; N218-Q222 VanDerWaalsContact O-CG 3.32Å; N218-Q222 WeakPolarHBondContact O-CG 3.33Å; N218-Q222 PolarHBondContact O-N 2.98Å |
| 219 | A | 95.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 63.9 Ų | 63.9 | 2% | 0.017 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.8 | -50 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | G198 F201 A202 F215 G216 T221 Q222 R223 | G198-A219 WeakPolarHBondContact O-CB 3.39Å; F201-A219 HydrophobicContact CB-CB 3.73Å; A202-A219 HydrophobicContact CB-CB 4.01Å; F215-A219 WeakPolarHBondContact O-CB 3.18Å; F215-A219 PolarHBondContact O-N 3.37Å; G216-A219 WeakPolarHBondContact O-CB 3.27Å; G216-A219 PolarHBondContact O-N 3.01Å; A219-T221 PolarHBondContact O-N 3.41Å; A219-Q222 PolarHBondContact O-N 3.34Å; A219-R223 WeakPolarHBondContact O-CG 3.38Å; A219-R223 PolarHBondContact O-N 2.95Å |
| 220 | D | 92.3 | Very high | 92.3 | Very high | 104 Ų | 104 | 63.4 Ų | 63.4 | 56% | 0.556 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -64.2 | -40.9 | -179 | -72.5 | -18.9 | 0 | 0 | 0 | 112 | G216 N218 Q222 R223 L224 | G216-D220 PolarHBondContact O-N 3.07Å; N218-D220 PolarHBondContact O-N 3.26Å; D220-Q222 PolarHBondContact O-N 3.03Å; D220-R223 PolarHBondContact O-N 3.4Å; D220-L224 VanDerWaalsContact O-CB 3.29Å; D220-L224 WeakPolarHBondContact O-CB 3.48Å; D220-L224 PolarHBondContact O-N 3.46Å |
| 221 | T | 92.8 | Very high | 92.4 | Very high | 26 Ų | 26 | 59.9 Ų | 59.9 | 16% | 0.16 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 176.7 | -59.4 | 0 | 0 | 0 | 0 | 111.2 | Y217 N218 A219 L224 L225 L349 | Y217-T221 WeakPolarHBondContact O-CB 3.48Å; Y217-T221 PolarHBondContact O-N 3.18Å; Y217-T221 PolarHBondContact O-OG1 2.86Å; N218-T221 PolarHBondContact O-N 3.29Å; A219-T221 PolarHBondContact O-N 3.41Å; T221-L224 PolarHBondContact O-N 3.43Å; T221-L225 HydrophobicContact CG2-CD1 4.14Å; T221-L225 HydrophobicContact CG2-CG 4.47Å; T221-L225 WeakPolarHBondContact O-CG 3.47Å; T221-L225 PolarHBondContact O-N 3.06Å; T221-L349 HydrophobicContact CG2-CD1 4.49Å |
| 222 | Q | 95.3 | Very high | 92.7 | Very high | 36 Ų | 36 | 56.6 Ų | 56.6 | 17% | 0.168 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68 | -40.2 | 179.9 | -63.5 | -59.8 | -14.3 | 0 | 0 | 112.6 | Q194 L197 F201 N218 A219 D220 L224 S226 | Q194-Q222 WeakPolarHBondContact O-CB 3.19Å; L197-Q222 HydrophobicContact CB-CG 4.46Å; L197-Q222 HydrophobicContact CD2-CG 4.11Å; L197-Q222 HydrophobicContact CG-CG 4.22Å; F201-Q222 HydrophobicContact CD2-CG 4.35Å; F201-Q222 HydrophobicContact CE2-CG 4.35Å; N218-Q222 VanDerWaalsContact O-CG 3.32Å; N218-Q222 WeakPolarHBondContact O-CG 3.33Å; N218-Q222 PolarHBondContact O-N 2.98Å; A219-Q222 PolarHBondContact O-N 3.34Å; D220-Q222 PolarHBondContact O-N 3.03Å; Q222-L224 VanDerWaalsContact C-N 3.35Å; Q222-L224 PolarHBondContact O-N 3.47Å; Q222-S226 WeakPolarHBondContact O-CB 3.37Å; Q222-S226 PolarHBondContact O-N 3.39Å; Q222-S226 VanDerWaalsContact O-N 3.1Å |
| 223 | R | 94.4 | Very high | 93.1 | Very high | 109 Ų | 109 | 53.8 Ų | 53.8 | 41% | 0.411 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 174.7 | -72.2 | -178.8 | -155.6 | -84.7 | -9.8 | 111.6 | G198 D199 A219 D220 S226 K227 | G198-R223 PolarHBondContact O-NH2 3.26Å; D199-R223 IonicContact OD1-CZ 3.46Å; D199-R223 VanDerWaalsContact OD1-CZ 3.31Å; D199-R223 IonicContact OD1-NH1 2.76Å; D199-R223 PolarHBondContact OD1-NH1 2.94Å; D199-R223 IonicContact OD1-NH2 3.22Å; D199-R223 PolarHBondContact OD1-NH2 3.44Å; D199-R223 VanDerWaalsContact OD1-NH2 3.07Å; A219-R223 WeakPolarHBondContact O-CG 3.38Å; A219-R223 PolarHBondContact O-N 2.95Å; D220-R223 PolarHBondContact O-N 3.4Å; R223-S226 PolarHBondContact O-N 3.37Å; R223-K227 WeakPolarHBondContact O-CB 3.4Å; R223-K227 PolarHBondContact O-N 3.23Å |
| 224 | L | 91.8 | Very high | 93.6 | Very high | 46 Ų | 46 | 52 Ų | 52 | 24% | 0.241 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.7 | -52.6 | 178.2 | 172.5 | 79.7 | 0 | 0 | 0 | 111.9 | D220 T221 Q222 S226 K227 N228 Q348 | D220-L224 VanDerWaalsContact O-CB 3.29Å; D220-L224 WeakPolarHBondContact O-CB 3.48Å; D220-L224 PolarHBondContact O-N 3.46Å; T221-L224 PolarHBondContact O-N 3.43Å; Q222-L224 VanDerWaalsContact C-N 3.35Å; Q222-L224 PolarHBondContact O-N 3.47Å; L224-S226 PolarHBondContact O-N 3.15Å; L224-K227 PolarHBondContact O-N 3.38Å; L224-K227 VanDerWaalsContact O-N 3.15Å; L224-N228 PolarHBondContact O-N 2.9Å; L224-Q348 HydrophobicContact CD1-CG 4.03Å; L224-Q348 HydrophobicContact CD2-CB 3.64Å; L224-Q348 HydrophobicContact CD2-CG 3.2Å; L224-Q348 HydrophobicContact CG-CG 4.22Å |
| 225 | L | 93.6 | Very high | 94.1 | Very high | 41 Ų | 41 | 49.2 Ų | 49.2 | 22% | 0.215 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.1 | -40.2 | -179 | -72.3 | 175.6 | 0 | 0 | 0 | 111.3 | T221 G229 N345 | T221-L225 HydrophobicContact CG2-CD1 4.14Å; T221-L225 HydrophobicContact CG2-CG 4.47Å; T221-L225 WeakPolarHBondContact O-CG 3.47Å; T221-L225 PolarHBondContact O-N 3.06Å; L225-G229 PolarHBondContact O-N 2.63Å; L225-N345 HydrophobicContact CD2-CB 3.89Å; L225-N345 VanDerWaalsContact CD2-CG 3.5Å |
| 226 | S | 94.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.2 | -46.6 | 176.3 | -169.2 | 0 | 0 | 0 | 0 | 112 | M191 K195 Q222 R223 L224 N228 G229 E230 | M191-S226 WeakPolarHBondContact CE-O 3.18Å; M191-S226 PolarHBondContact O-OG 3.19Å; K195-S226 WeakPolarHBondContact CE-OG 3.38Å; K195-S226 WeakPolarHBondContact CG-OG 3.48Å; Q222-S226 WeakPolarHBondContact O-CB 3.37Å; Q222-S226 PolarHBondContact O-N 3.39Å; Q222-S226 VanDerWaalsContact O-N 3.1Å; R223-S226 PolarHBondContact O-N 3.37Å; L224-S226 PolarHBondContact O-N 3.15Å; S226-N228 PolarHBondContact O-N 2.9Å; S226-G229 WeakPolarHBondContact O-CA 3.44Å; S226-G229 PolarHBondContact O-N 3.09Å; S226-G229 VanDerWaalsContact O-N 3.1Å; S226-E230 PolarHBondContact O-N 3.25Å |
| 227 | K | 92.6 | Very high | 94.6 | Very high | 144 Ų | 144 | 49.9 Ų | 49.9 | 63% | 0.626 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -60.1 | -46.7 | 177.7 | -177.1 | -178.5 | 177.7 | -177.7 | 0 | 112 | R223 L224 G229 E230 | R223-K227 WeakPolarHBondContact O-CB 3.4Å; R223-K227 PolarHBondContact O-N 3.23Å; L224-K227 PolarHBondContact O-N 3.38Å; L224-K227 VanDerWaalsContact O-N 3.15Å; K227-G229 PolarHBondContact O-N 3.35Å; K227-E230 WeakPolarHBondContact O-CB 3.27Å; K227-E230 PolarHBondContact O-N 3.48Å |
| 228 | N | 91.3 | Very high | 95.1 | Very high | 48 Ų | 48 | 54 Ų | 54 | 26% | 0.257 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.1 | -27.2 | 177.6 | -73.4 | -3.6 | 0 | 0 | 0 | 111.9 | L224 S226 E230 T231 Y341 N345 | L224-N228 PolarHBondContact O-N 2.9Å; S226-N228 PolarHBondContact O-N 2.9Å; N228-E230 PolarHBondContact O-N 2.88Å; N228-T231 PolarHBondContact O-N 3.32Å; N228-Y341 HydrophobicContact CB-CD2 4.17Å; N228-Y341 HydrophobicContact CB-CE2 4.05Å; N228-N345 WeakPolarHBondContact CB-OD1 3.1Å; N228-N345 PolarHBondContact ND2-OD1 3.33Å |
| 229 | G | 96.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.2 | -28.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L225 S226 K227 T231 L232 L233 | L225-G229 PolarHBondContact O-N 2.63Å; S226-G229 WeakPolarHBondContact O-CA 3.44Å; S226-G229 PolarHBondContact O-N 3.09Å; S226-G229 VanDerWaalsContact O-N 3.1Å; K227-G229 PolarHBondContact O-N 3.35Å; G229-T231 PolarHBondContact O-N 2.89Å; G229-L232 PolarHBondContact O-N 3.39Å; G229-L233 VanDerWaalsContact O-CB 3.29Å; G229-L233 WeakPolarHBondContact O-CB 3.37Å; G229-L233 PolarHBondContact O-N 3.3Å |
| 230 | E | 95.1 | Very high | 95.6 | Very high | 101 Ų | 101 | 51.8 Ų | 51.8 | 47% | 0.472 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.7 | -42 | 179.7 | -64.6 | -179.5 | 176.5 | 0 | 0 | 111.7 | M191 K195 S226 K227 N228 L233 G234 | M191-E230 HydrophobicContact CE-CB 4.16Å; M191-E230 HydrophobicContact CE-CG 3.39Å; K195-E230 IonicContact NZ-OE1 2.82Å; K195-E230 PolarHBondContact NZ-OE1 2.86Å; S226-E230 PolarHBondContact O-N 3.25Å; K227-E230 WeakPolarHBondContact O-CB 3.27Å; K227-E230 PolarHBondContact O-N 3.48Å; N228-E230 PolarHBondContact O-N 2.88Å; E230-L233 PolarHBondContact O-N 3.43Å; E230-G234 PolarHBondContact O-N 2.86Å |
| 231 | T | 93.8 | Very high | 95.9 | Very high | 114 Ų | 114 | 50.1 Ų | 50.1 | 70% | 0.699 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64.4 | -45 | 176.1 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | N228 G229 G234 A235 | N228-T231 PolarHBondContact O-N 3.32Å; G229-T231 PolarHBondContact O-N 2.89Å; T231-G234 PolarHBondContact O-N 3.47Å; T231-A235 PolarHBondContact O-N 3.37Å |
| 232 | L | 97.3 | Very high | 96.1 | Very high | 11 Ų | 11 | 50 Ų | 50 | 6% | 0.058 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.2 | -45.3 | 177.6 | 176.8 | 60.6 | 0 | 0 | 0 | 111.1 | L187 G229 G234 A235 I236 A337 I338 Y341 | L187-L232 HydrophobicContact CD2-CB 4.17Å; L187-L232 HydrophobicContact CD2-CD2 3.73Å; L187-L232 HydrophobicContact CD2-CG 3.74Å; G229-L232 PolarHBondContact O-N 3.39Å; L232-G234 VanDerWaalsContact C-N 3.3Å; L232-G234 PolarHBondContact O-N 3.17Å; L232-A235 PolarHBondContact O-N 3.46Å; L232-A235 VanDerWaalsContact O-N 3.14Å; L232-I236 HydrophobicContact CD1-CD1 4.09Å; L232-I236 HydrophobicContact CD1-CG1 4.17Å; L232-I236 HydrophobicContact CG-CD1 3.91Å; L232-I236 HydrophobicContact CG-CG1 4.41Å; L232-I236 WeakPolarHBondContact O-CG1 3.21Å; L232-I236 PolarHBondContact O-N 3.42Å; L232-A337 HydrophobicContact CD1-CB 4.24Å; L232-I338 HydrophobicContact CD1-CG1 3.95Å; L232-Y341 HydrophobicContact CB-CD2 3.98Å; L232-Y341 HydrophobicContact CB-CG 4.13Å; L232-Y341 HydrophobicContact CD2-CD1 3.63Å; L232-Y341 HydrophobicContact CD2-CD2 4.06Å; L232-Y341 HydrophobicContact CD2-CE1 4.1Å; L232-Y341 HydrophobicContact CD2-CG 3.6Å; L232-Y341 HydrophobicContact CG-CG 4.4Å |
| 233 | L | 98.2 | Very high | 96.3 | Very high | 31 Ų | 31 | 48.3 Ų | 48.3 | 16% | 0.162 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 178 | -176.1 | 62.9 | 0 | 0 | 0 | 111.4 | A184 L187 M191 G229 E230 I236 N237 | A184-L233 HydrophobicContact CB-CD1 3.88Å; A184-L233 WeakPolarHBondContact O-CD1 3.49Å; L187-L233 HydrophobicContact CD2-CB 4.06Å; L187-L233 HydrophobicContact CD2-CD1 4.35Å; M191-L233 HydrophobicContact CE-CD2 4.44Å; M191-L233 HydrophobicContact SD-CB 4.36Å; M191-L233 HydrophobicContact SD-CD2 4.23Å; G229-L233 VanDerWaalsContact O-CB 3.29Å; G229-L233 WeakPolarHBondContact O-CB 3.37Å; G229-L233 PolarHBondContact O-N 3.3Å; E230-L233 PolarHBondContact O-N 3.43Å; L233-I236 PolarHBondContact O-N 2.96Å; L233-N237 WeakPolarHBondContact O-CB 3.45Å; L233-N237 PolarHBondContact O-N 3.49Å; L233-N237 PolarHBondContact O-ND2 3.28Å |
| 234 | G | 97.8 | Very high | 96.5 | Very high | 40 Ų | 40 | 46 Ų | 46 | 41% | 0.412 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59 | -45.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E230 T231 L232 N237 F238 | E230-G234 PolarHBondContact O-N 2.86Å; T231-G234 PolarHBondContact O-N 3.47Å; L232-G234 VanDerWaalsContact C-N 3.3Å; L232-G234 PolarHBondContact O-N 3.17Å; G234-N237 PolarHBondContact O-N 3.14Å; G234-F238 WeakPolarHBondContact O-CB 3.39Å; G234-F238 PolarHBondContact O-N 3.37Å |
| 235 | A | 97.8 | Very high | 96.8 | Very high | 27 Ų | 27 | 46.7 Ų | 46.7 | 22% | 0.223 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | T231 L232 F238 F239 A337 | T231-A235 PolarHBondContact O-N 3.37Å; L232-A235 PolarHBondContact O-N 3.46Å; L232-A235 VanDerWaalsContact O-N 3.14Å; A235-F238 PolarHBondContact O-N 3.01Å; A235-F239 PolarHBondContact O-N 3.39Å; A235-A337 HydrophobicContact CB-CB 3.35Å |
| 236 | I | 98.5 | Very high | 97 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 176 | -63.5 | 169.4 | 0 | 0 | 0 | 110.4 | L183 A184 L187 L232 L233 F238 F239 I240 F334 | L183-I236 HydrophobicContact CD2-CD1 4.06Å; L183-I236 HydrophobicContact CG-CD1 4.18Å; A184-I236 HydrophobicContact CB-CG2 3.82Å; L187-I236 HydrophobicContact CD2-CD1 3.89Å; L232-I236 HydrophobicContact CD1-CD1 4.09Å; L232-I236 HydrophobicContact CD1-CG1 4.17Å; L232-I236 HydrophobicContact CG-CD1 3.91Å; L232-I236 HydrophobicContact CG-CG1 4.41Å; L232-I236 WeakPolarHBondContact O-CG1 3.21Å; L232-I236 PolarHBondContact O-N 3.42Å; L233-I236 PolarHBondContact O-N 2.96Å; I236-F238 VanDerWaalsContact C-N 3.33Å; I236-F238 PolarHBondContact O-N 3.25Å; I236-F239 WeakPolarHBondContact O-CB 3.12Å; I236-F239 PolarHBondContact O-N 3.24Å; I236-I240 HydrophobicContact CG2-CD1 3.9Å; I236-I240 HydrophobicContact CG2-CG1 4.47Å; I236-I240 VanDerWaalsContact O-CG1 3.3Å; I236-I240 WeakPolarHBondContact O-CG1 3.32Å; I236-I240 PolarHBondContact O-N 3.34Å; I236-F334 HydrophobicContact CB-CE2 4.4Å; I236-F334 HydrophobicContact CG1-CD2 4.48Å; I236-F334 HydrophobicContact CG1-CE2 3.86Å; I236-F334 HydrophobicContact CG2-CE2 4.28Å |
| 237 | N | 98.4 | Very high | 97.1 | Very high | 73 Ų | 73 | 44.8 Ų | 44.8 | 39% | 0.39 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.2 | -36.1 | 177.6 | -78 | -51.7 | 0 | 0 | 0 | 112.9 | L233 G234 I240 S241 | L233-N237 WeakPolarHBondContact O-CB 3.45Å; L233-N237 PolarHBondContact O-N 3.49Å; L233-N237 PolarHBondContact O-ND2 3.28Å; G234-N237 PolarHBondContact O-N 3.14Å; N237-I240 PolarHBondContact O-N 3.02Å; N237-S241 WeakPolarHBondContact O-CB 3.42Å; N237-S241 PolarHBondContact O-N 3.39Å; N237-S241 PolarHBondContact O-OG 2.89Å |
| 238 | F | 98.3 | Very high | 97.4 | Very high | 112 Ų | 112 | 41.6 Ų | 41.6 | 49% | 0.491 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.9 | -43 | 173.4 | -179.6 | -100 | 0 | 0 | 0 | 112 | G234 A235 I236 S241 S242 L333 | G234-F238 WeakPolarHBondContact O-CB 3.39Å; G234-F238 PolarHBondContact O-N 3.37Å; A235-F238 PolarHBondContact O-N 3.01Å; I236-F238 VanDerWaalsContact C-N 3.33Å; I236-F238 PolarHBondContact O-N 3.25Å; F238-S241 PolarHBondContact O-N 3Å; F238-S242 WeakPolarHBondContact O-CB 3.41Å; F238-S242 PolarHBondContact O-N 2.96Å; F238-S242 PolarHBondContact O-OG 3.37Å; F238-L333 HydrophobicContact CE1-CD1 4Å |
| 239 | F | 98.6 | Very high | 97.7 | Very high | 8 Ų | 8 | 46 Ų | 46 | 4% | 0.035 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.6 | -50.6 | 173.3 | 172.4 | -95 | 0 | 0 | 0 | 111.2 | V176 A180 A235 I236 S241 S242 V243 Q330 L331 F334 | V176-F239 HydrophobicContact CG1-CE1 4Å; V176-F239 HydrophobicContact CG1-CZ 3.99Å; A180-F239 HydrophobicContact CB-CD1 4.17Å; A180-F239 HydrophobicContact CB-CE1 4.18Å; A235-F239 PolarHBondContact O-N 3.39Å; I236-F239 WeakPolarHBondContact O-CB 3.12Å; I236-F239 PolarHBondContact O-N 3.24Å; F239-S241 PolarHBondContact O-N 3.45Å; F239-S242 PolarHBondContact O-N 3.01Å; F239-V243 HydrophobicContact CD1-CG2 4.44Å; F239-V243 HydrophobicContact CD2-CG2 4.12Å; F239-V243 HydrophobicContact CE1-CG2 4.09Å; F239-V243 HydrophobicContact CE2-CG2 3.73Å; F239-V243 HydrophobicContact CG-CG2 4.45Å; F239-V243 HydrophobicContact CZ-CG2 3.72Å; F239-V243 WeakPolarHBondContact O-CG2 3.26Å; F239-V243 PolarHBondContact O-N 3.49Å; F239-Q330 HydrophobicContact CD2-CB 3.85Å; F239-Q330 WeakPolarHBondContact CD2-O 3.39Å; F239-Q330 HydrophobicContact CE2-CB 4.07Å; F239-L331 HydrophobicContact CE2-CD2 4.18Å; F239-L331 HydrophobicContact CZ-CD2 4.44Å; F239-F334 HydrophobicContact CB-CB 4.47Å; F239-F334 HydrophobicContact CB-CD2 3.81Å; F239-F334 AromaticContact CD1-CD2 3.9Å; F239-F334 HydrophobicContact CD1-CD2 3.9Å; F239-F334 HydrophobicContact CD1-CE2 4.16Å; F239-F334 HydrophobicContact CD2-CB 3.77Å; F239-F334 HydrophobicContact CD2-CD2 4.09Å; F239-F334 HydrophobicContact CD2-CG 4.13Å; F239-F334 HydrophobicContact CE2-CB 4.26Å; F239-F334 HydrophobicContact CE2-CG 4.49Å; F239-F334 HydrophobicContact CG-CB 4.19Å; F239-F334 AromaticContact CG-CD2 3.66Å; F239-F334 HydrophobicContact CG-CD2 3.66Å; F239-F334 HydrophobicContact CG-CE2 4.37Å; F239-F334 HydrophobicContact CG-CG 4.18Å |
| 240 | I | 98.6 | Very high | 97.7 | Very high | 14 Ų | 14 | 48.2 Ų | 48.2 | 7% | 0.072 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -52.7 | -55.3 | 177.2 | -70.7 | 161.9 | 0 | 0 | 0 | 110 | I177 A180 Q181 A184 I236 N237 S242 V243 D244 | I177-I240 HydrophobicContact CG2-CG2 4.27Å; A180-I240 HydrophobicContact CB-CD1 4.1Å; A180-I240 HydrophobicContact CB-CG1 3.64Å; Q181-I240 HydrophobicContact CB-CD1 4.43Å; Q181-I240 HydrophobicContact CG-CD1 3.86Å; Q181-I240 HydrophobicContact CG-CG1 4.31Å; Q181-I240 HydrophobicContact CG-CG2 4.03Å; A184-I240 HydrophobicContact CB-CD1 4.23Å; I236-I240 HydrophobicContact CG2-CD1 3.9Å; I236-I240 HydrophobicContact CG2-CG1 4.47Å; I236-I240 VanDerWaalsContact O-CG1 3.3Å; I236-I240 WeakPolarHBondContact O-CG1 3.32Å; I236-I240 PolarHBondContact O-N 3.34Å; N237-I240 PolarHBondContact O-N 3.02Å; I240-S242 VanDerWaalsContact C-N 3.27Å; I240-S242 PolarHBondContact O-N 3.5Å; I240-V243 PolarHBondContact O-N 3.38Å; I240-D244 WeakPolarHBondContact O-CB 3.49Å; I240-D244 PolarHBondContact O-N 3.01Å |
| 241 | S | 98.5 | Very high | 97.9 | Very high | 69 Ų | 69 | 43.4 Ų | 43.4 | 48% | 0.483 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60 | -36.5 | -176.7 | -56.7 | 0 | 0 | 0 | 0 | 113.1 | N237 F238 F239 T245 | N237-S241 WeakPolarHBondContact O-CB 3.42Å; N237-S241 PolarHBondContact O-N 3.39Å; N237-S241 PolarHBondContact O-OG 2.89Å; F238-S241 PolarHBondContact O-N 3Å; F239-S241 PolarHBondContact O-N 3.45Å; S241-T245 WeakPolarHBondContact O-CB 3.33Å; S241-T245 PolarHBondContact O-N 3.36Å; S241-T245 PolarHBondContact O-OG1 2.88Å; S241-T245 VanDerWaalsContact O-OG1 3.07Å |
| 242 | S | 98.2 | Very high | 98.1 | Very high | 22 Ų | 22 | 40 Ų | 40 | 15% | 0.154 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -72.4 | -43.9 | -179.8 | -61.4 | 0 | 0 | 0 | 0 | 112.2 | F238 F239 I240 T245 L246 Q330 | F238-S242 WeakPolarHBondContact O-CB 3.41Å; F238-S242 PolarHBondContact O-N 2.96Å; F238-S242 PolarHBondContact O-OG 3.37Å; F239-S242 PolarHBondContact O-N 3.01Å; I240-S242 VanDerWaalsContact C-N 3.27Å; I240-S242 PolarHBondContact O-N 3.5Å; S242-T245 PolarHBondContact O-N 2.71Å; S242-L246 PolarHBondContact O-N 3.46Å; S242-Q330 PolarHBondContact OG-NE2 2.9Å; S242-Q330 PolarHBondContact OG-OE1 3.36Å |
| 243 | V | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.9 | -36.2 | 177 | -176.1 | 0 | 0 | 0 | 0 | 110.7 | I177 F239 I240 T245 L246 V247 L327 | I177-V243 HydrophobicContact CD1-CB 4.35Å; I177-V243 HydrophobicContact CD1-CG1 3.91Å; I177-V243 HydrophobicContact CG1-CB 4.08Å; I177-V243 HydrophobicContact CG1-CG1 3.79Å; F239-V243 HydrophobicContact CD1-CG2 4.44Å; F239-V243 HydrophobicContact CD2-CG2 4.12Å; F239-V243 HydrophobicContact CE1-CG2 4.09Å; F239-V243 HydrophobicContact CE2-CG2 3.73Å; F239-V243 HydrophobicContact CG-CG2 4.45Å; F239-V243 HydrophobicContact CZ-CG2 3.72Å; F239-V243 WeakPolarHBondContact O-CG2 3.26Å; F239-V243 PolarHBondContact O-N 3.49Å; I240-V243 PolarHBondContact O-N 3.38Å; V243-T245 VanDerWaalsContact C-N 3.34Å; V243-T245 PolarHBondContact O-N 3.48Å; V243-L246 WeakPolarHBondContact O-CB 3.33Å; V243-L246 PolarHBondContact O-N 3.37Å; V243-L246 VanDerWaalsContact O-N 3.16Å; V243-V247 HydrophobicContact CG1-CG2 4.41Å; V243-V247 WeakPolarHBondContact O-CG2 3.35Å; V243-V247 PolarHBondContact O-N 3.18Å; V243-L327 HydrophobicContact CG2-CD2 4.35Å |
| 244 | D | 98.2 | Very high | 98.1 | Very high | 61 Ų | 61 | 42.2 Ų | 42.2 | 33% | 0.326 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.4 | -44 | 174.3 | -159.8 | 56.7 | 0 | 0 | 0 | 111.2 | I177 I240 L246 V247 D248 | I177-D244 HydrophobicContact CD1-CB 4.25Å; I240-D244 WeakPolarHBondContact O-CB 3.49Å; I240-D244 PolarHBondContact O-N 3.01Å; D244-L246 VanDerWaalsContact C-N 3.34Å; D244-L246 PolarHBondContact O-N 2.93Å; D244-V247 PolarHBondContact O-N 3.37Å; D244-D248 WeakPolarHBondContact O-CB 3.29Å; D244-D248 PolarHBondContact O-N 3.25Å |
| 245 | T | 98.4 | Very high | 98.1 | Very high | 60 Ų | 60 | 41.2 Ų | 41.2 | 37% | 0.368 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.7 | -41.8 | 172.9 | -70.1 | 0 | 0 | 0 | 0 | 112.5 | S241 S242 V243 V247 K249 T250 | S241-T245 WeakPolarHBondContact O-CB 3.33Å; S241-T245 PolarHBondContact O-N 3.36Å; S241-T245 PolarHBondContact O-OG1 2.88Å; S241-T245 VanDerWaalsContact O-OG1 3.07Å; S242-T245 PolarHBondContact O-N 2.71Å; V243-T245 VanDerWaalsContact C-N 3.34Å; V243-T245 PolarHBondContact O-N 3.48Å; T245-V247 VanDerWaalsContact C-N 3.34Å; T245-V247 PolarHBondContact O-N 3.42Å; T245-K249 HydrophobicContact CG2-CD 4.19Å; T245-K249 VanDerWaalsContact O-CB 3.29Å; T245-K249 WeakPolarHBondContact O-CB 3.41Å; T245-K249 PolarHBondContact O-N 2.73Å; T245-K249 VanDerWaalsContact O-N 3.14Å; T245-T250 PolarHBondContact O-N 3.27Å |
| 246 | L | 97.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | I | π-helix | trans | -61.4 | -43 | 175.9 | 175.2 | 64.9 | 0 | 0 | 0 | 111.5 | S242 V243 D244 T250 I251 K323 V326 L327 | S242-L246 PolarHBondContact O-N 3.46Å; V243-L246 WeakPolarHBondContact O-CB 3.33Å; V243-L246 PolarHBondContact O-N 3.37Å; V243-L246 VanDerWaalsContact O-N 3.16Å; D244-L246 VanDerWaalsContact C-N 3.34Å; D244-L246 PolarHBondContact O-N 2.93Å; L246-T250 HydrophobicContact CD1-CG2 4.46Å; L246-T250 WeakPolarHBondContact O-CB 3.5Å; L246-T250 PolarHBondContact O-N 3.37Å; L246-I251 HydrophobicContact CG-CD1 4.48Å; L246-I251 WeakPolarHBondContact O-CG1 3.29Å; L246-I251 PolarHBondContact O-N 2.99Å; L246-K323 HydrophobicContact CD1-CB 4.39Å; L246-K323 HydrophobicContact CD2-CG 4.21Å; L246-V326 HydrophobicContact CB-CG1 4.35Å; L246-V326 HydrophobicContact CD2-CB 4.44Å; L246-V326 HydrophobicContact CD2-CG1 4.22Å; L246-L327 HydrophobicContact CD2-CD1 4.28Å; L246-L327 HydrophobicContact CD2-CD2 3.89Å; L246-L327 HydrophobicContact CD2-CG 3.8Å |
| 247 | V | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -76.7 | -55 | -176 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | R170 Y173 Q174 I177 V243 D244 T245 I251 E252 | R170-V247 HydrophobicContact CG-CG1 3.96Å; Y173-V247 HydrophobicContact CD2-CG2 4.3Å; Y173-V247 HydrophobicContact CG-CG2 4.42Å; Q174-V247 HydrophobicContact CG-CG1 3.65Å; I177-V247 HydrophobicContact CD1-CB 4.4Å; I177-V247 HydrophobicContact CD1-CG2 4.09Å; V243-V247 HydrophobicContact CG1-CG2 4.41Å; V243-V247 WeakPolarHBondContact O-CG2 3.35Å; V243-V247 PolarHBondContact O-N 3.18Å; D244-V247 PolarHBondContact O-N 3.37Å; T245-V247 VanDerWaalsContact C-N 3.34Å; T245-V247 PolarHBondContact O-N 3.42Å; V247-I251 HydrophobicContact CG2-CD1 4.5Å; V247-I251 WeakPolarHBondContact O-CB 3.37Å; V247-E252 PolarHBondContact O-N 2.9Å |
| 248 | D | 97.3 | Very high | 98.1 | Very high | 77 Ų | 77 | 41 Ų | 41 | 41% | 0.412 | 22% | 0.216 | S | C | . | . | I | π-helix | trans | -87.9 | -13.6 | -167.8 | -77.7 | -3 | 0 | 0 | 0 | 113.4 | D244 E252 | D244-D248 WeakPolarHBondContact O-CB 3.29Å; D244-D248 PolarHBondContact O-N 3.25Å; D248-E252 WeakPolarHBondContact O-CB 3.43Å |
| 249 | K | 97.4 | Very high | 98.1 | Very high | 140 Ų | 140 | 41.4 Ų | 41.4 | 61% | 0.609 | 22% | 0.217 | S | C | * | . | I | π-helix | trans | -110.8 | -61.3 | 172.8 | -53.5 | -176.7 | -174.3 | 160.1 | 0 | 111.6 | T245 D253 | T245-K249 HydrophobicContact CG2-CD 4.19Å; T245-K249 VanDerWaalsContact O-CB 3.29Å; T245-K249 WeakPolarHBondContact O-CB 3.41Å; T245-K249 PolarHBondContact O-N 2.73Å; T245-K249 VanDerWaalsContact O-N 3.14Å; K249-D253 WeakPolarHBondContact O-CB 3.33Å; K249-D253 PolarHBondContact O-N 2.95Å |
| 250 | T | 97.6 | Very high | 98 | Very high | 46 Ų | 46 | 45.6 Ų | 45.6 | 28% | 0.282 | 24% | 0.237 | S | C | . | . | I | π-helix | trans | -71.1 | -49 | -170.3 | -43 | 0 | 0 | 0 | 0 | 112.5 | T245 L246 T254 L319 | T245-T250 PolarHBondContact O-N 3.27Å; L246-T250 HydrophobicContact CD1-CG2 4.46Å; L246-T250 WeakPolarHBondContact O-CB 3.5Å; L246-T250 PolarHBondContact O-N 3.37Å; T250-T254 PolarHBondContact O-N 3.01Å; T250-T254 PolarHBondContact O-OG1 3.48Å; T250-L319 HydrophobicContact CG2-CD1 3.64Å |
| 251 | I | 98.2 | Very high | 98 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -69.1 | -41.3 | 176.8 | -69.1 | 173.5 | 0 | 0 | 0 | 110.2 | L166 R170 Y173 L246 V247 D253 T254 M255 L319 | L166-I251 HydrophobicContact CD1-CD1 4.38Å; L166-I251 HydrophobicContact CD1-CG1 4.17Å; L166-I251 HydrophobicContact CD1-CG2 3.88Å; L166-I251 HydrophobicContact CG-CG2 4.32Å; R170-I251 HydrophobicContact CB-CG2 4.15Å; R170-I251 HydrophobicContact CG-CG2 4.04Å; Y173-I251 HydrophobicContact CD2-CD1 4.05Å; Y173-I251 HydrophobicContact CE2-CD1 4.32Å; L246-I251 HydrophobicContact CG-CD1 4.48Å; L246-I251 WeakPolarHBondContact O-CG1 3.29Å; L246-I251 PolarHBondContact O-N 2.99Å; V247-I251 HydrophobicContact CG2-CD1 4.5Å; V247-I251 WeakPolarHBondContact O-CB 3.37Å; I251-D253 PolarHBondContact O-N 3.48Å; I251-T254 PolarHBondContact O-N 3.06Å; I251-T254 VanDerWaalsContact O-N 3.15Å; I251-M255 HydrophobicContact CG2-CG 4.14Å; I251-M255 WeakPolarHBondContact O-CG 3.43Å; I251-M255 PolarHBondContact O-N 2.73Å; I251-L319 HydrophobicContact CG1-CD1 3.99Å; I251-L319 HydrophobicContact CG1-CD2 4.25Å |
| 252 | E | 97.7 | Very high | 98 | Very high | 42 Ų | 42 | 44 Ų | 44 | 20% | 0.196 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.7 | -40.6 | 177.7 | -172.7 | 60.8 | -141.8 | 0 | 0 | 112.7 | R170 V247 D248 T254 M255 I256 K259 | R170-E252 IonicContact CZ-OE2 2.88Å; R170-E252 IonicContact NH1-OE2 2.69Å; R170-E252 PolarHBondContact NH1-OE2 3.33Å; R170-E252 IonicContact NH2-OE2 3.31Å; R170-E252 PolarHBondContact NH2-OE2 2.95Å; V247-E252 PolarHBondContact O-N 2.9Å; D248-E252 WeakPolarHBondContact O-CB 3.43Å; E252-T254 VanDerWaalsContact C-N 3.29Å; E252-T254 PolarHBondContact O-N 3.45Å; E252-M255 CarbonylContact O-C 3.6Å; E252-M255 WeakPolarHBondContact O-CB 3.29Å; E252-M255 PolarHBondContact O-N 3.47Å; E252-M255 VanDerWaalsContact O-N 3.09Å; E252-I256 HydrophobicContact CG-CD1 4.29Å; E252-I256 WeakPolarHBondContact O-CG1 3.37Å; E252-I256 PolarHBondContact O-N 3.31Å; E252-K259 IonicContact OE1-NZ 3.93Å |
| 253 | D | 97.4 | Very high | 98 | Very high | 82 Ų | 82 | 46.7 Ų | 46.7 | 44% | 0.439 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -56.1 | -45.9 | 173.9 | -178.8 | 75.3 | 0 | 0 | 0 | 111.1 | K249 I251 M255 I256 N257 K315 | K249-D253 WeakPolarHBondContact O-CB 3.33Å; K249-D253 PolarHBondContact O-N 2.95Å; I251-D253 PolarHBondContact O-N 3.48Å; D253-M255 VanDerWaalsContact C-N 3.33Å; D253-M255 PolarHBondContact O-N 3.33Å; D253-I256 WeakPolarHBondContact O-CB 3.44Å; D253-I256 PolarHBondContact O-N 2.76Å; D253-N257 PolarHBondContact O-N 3.25Å; D253-N257 PolarHBondContact O-ND2 3.48Å; D253-N257 PolarHBondContact OD2-ND2 3.23Å; D253-K315 IonicContact OD2-NZ 2.6Å |
| 254 | T | 98.3 | Very high | 98 | Very high | 7 Ų | 7 | 46.6 Ų | 46.6 | 4% | 0.043 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.6 | -38.8 | 177.3 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | L166 T250 I251 E252 I256 N257 I258 K315 L316 L319 | L166-T254 HydrophobicContact CD2-CG2 3.94Å; T250-T254 PolarHBondContact O-N 3.01Å; T250-T254 PolarHBondContact O-OG1 3.48Å; I251-T254 PolarHBondContact O-N 3.06Å; I251-T254 VanDerWaalsContact O-N 3.15Å; E252-T254 VanDerWaalsContact C-N 3.29Å; E252-T254 PolarHBondContact O-N 3.45Å; T254-I256 VanDerWaalsContact C-N 3.33Å; T254-I256 PolarHBondContact O-N 2.87Å; T254-N257 PolarHBondContact O-N 2.86Å; T254-N257 VanDerWaalsContact O-N 3.17Å; T254-I258 HydrophobicContact CG2-CD1 4.15Å; T254-I258 WeakPolarHBondContact O-CG1 3.44Å; T254-I258 PolarHBondContact O-N 3.43Å; T254-K315 HydrophobicContact CG2-CB 4.47Å; T254-L316 HydrophobicContact CG2-CD2 3.96Å; T254-L316 HydrophobicContact CG2-CG 4.39Å; T254-L319 HydrophobicContact CG2-CD2 3.92Å |
| 255 | M | 98.3 | Very high | 98 | Very high | 19 Ų | 19 | 44.3 Ų | 44.3 | 9% | 0.094 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.3 | -35.4 | 175.3 | -69.4 | -62.1 | -60 | 0 | 0 | 112.9 | L166 R167 I251 E252 D253 I258 K259 | L166-M255 HydrophobicContact CD2-SD 3.9Å; L166-M255 HydrophobicContact CG-SD 4.27Å; R167-M255 HydrophobicContact CG-CE 3.96Å; R167-M255 HydrophobicContact CG-SD 4.35Å; I251-M255 HydrophobicContact CG2-CG 4.14Å; I251-M255 WeakPolarHBondContact O-CG 3.43Å; I251-M255 PolarHBondContact O-N 2.73Å; E252-M255 CarbonylContact O-C 3.6Å; E252-M255 WeakPolarHBondContact O-CB 3.29Å; E252-M255 PolarHBondContact O-N 3.47Å; E252-M255 VanDerWaalsContact O-N 3.09Å; D253-M255 VanDerWaalsContact C-N 3.33Å; D253-M255 PolarHBondContact O-N 3.33Å; M255-I258 PolarHBondContact O-N 3.43Å; M255-I258 HydrophobicContact SD-CD1 3.95Å; M255-K259 WeakPolarHBondContact O-CG 3.33Å; M255-K259 PolarHBondContact O-N 3.17Å |
| 256 | I | 97.8 | Very high | 98 | Very high | 76 Ų | 76 | 42 Ų | 42 | 39% | 0.39 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.6 | -42.9 | 173.2 | -67.9 | 165.5 | 0 | 0 | 0 | 110.5 | E252 D253 T254 I258 K259 Q260 | E252-I256 HydrophobicContact CG-CD1 4.29Å; E252-I256 WeakPolarHBondContact O-CG1 3.37Å; E252-I256 PolarHBondContact O-N 3.31Å; D253-I256 WeakPolarHBondContact O-CB 3.44Å; D253-I256 PolarHBondContact O-N 2.76Å; T254-I256 VanDerWaalsContact C-N 3.33Å; T254-I256 PolarHBondContact O-N 2.87Å; I256-I258 VanDerWaalsContact C-N 3.35Å; I256-I258 PolarHBondContact O-N 3.43Å; I256-K259 WeakPolarHBondContact O-CB 3.46Å; I256-K259 PolarHBondContact O-N 3.17Å; I256-Q260 WeakPolarHBondContact O-CG 3.33Å; I256-Q260 PolarHBondContact O-N 3.43Å |
| 257 | N | 97.8 | Very high | 98 | Very high | 18 Ų | 18 | 42.7 Ų | 42.7 | 10% | 0.096 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.2 | -38.3 | 176.4 | -69.5 | -86 | 0 | 0 | 0 | 112.2 | D253 T254 K259 Q260 Y261 V312 K315 | D253-N257 PolarHBondContact O-N 3.25Å; D253-N257 PolarHBondContact O-ND2 3.48Å; D253-N257 PolarHBondContact OD2-ND2 3.23Å; T254-N257 PolarHBondContact O-N 2.86Å; T254-N257 VanDerWaalsContact O-N 3.17Å; N257-K259 VanDerWaalsContact C-N 3.34Å; N257-K259 PolarHBondContact O-N 3.49Å; N257-Q260 WeakPolarHBondContact O-CB 3.38Å; N257-Q260 PolarHBondContact O-N 3.22Å; N257-Y261 PolarHBondContact O-N 3.38Å; N257-V312 HydrophobicContact CB-CG2 4.27Å; N257-K315 HydrophobicContact CB-CD 4.07Å; N257-K315 PolarHBondContact ND2-NZ 3.34Å; N257-K315 PolarHBondContact OD1-NZ 2.84Å |
| 258 | I | 98.5 | Very high | 98 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.015 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.6 | -43.1 | 173.1 | -69.6 | 160.7 | 0 | 0 | 0 | 110.8 | I163 L166 T254 M255 I256 Q260 Y261 E262 V312 L316 | I163-I258 HydrophobicContact CD1-CG1 4.23Å; I163-I258 HydrophobicContact CD1-CG2 3.89Å; I163-I258 HydrophobicContact CG1-CD1 3.89Å; I163-I258 HydrophobicContact CG1-CG1 4.07Å; I163-I258 HydrophobicContact CG1-CG2 4.26Å; I163-I258 HydrophobicContact CG2-CD1 4.25Å; I163-I258 HydrophobicContact CG2-CG2 3.98Å; L166-I258 HydrophobicContact CD2-CD1 3.8Å; T254-I258 HydrophobicContact CG2-CD1 4.15Å; T254-I258 WeakPolarHBondContact O-CG1 3.44Å; T254-I258 PolarHBondContact O-N 3.43Å; M255-I258 PolarHBondContact O-N 3.43Å; M255-I258 HydrophobicContact SD-CD1 3.95Å; I256-I258 VanDerWaalsContact C-N 3.35Å; I256-I258 PolarHBondContact O-N 3.43Å; I258-Q260 VanDerWaalsContact C-N 3.3Å; I258-Q260 PolarHBondContact O-N 3.19Å; I258-Y261 WeakPolarHBondContact O-CB 3.43Å; I258-Y261 PolarHBondContact O-N 3.07Å; I258-E262 WeakPolarHBondContact O-CG 3.29Å; I258-E262 PolarHBondContact O-N 3.45Å; I258-V312 HydrophobicContact CG1-CG1 3.71Å; I258-V312 HydrophobicContact CG1-CG2 4.45Å; I258-L316 HydrophobicContact CD1-CD2 4.44Å |
| 259 | K | 98.3 | Very high | 98.1 | Very high | 121 Ų | 121 | 40.7 Ų | 40.7 | 53% | 0.526 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.8 | -38.9 | 175.1 | -70.4 | 168.1 | -177.4 | 166.3 | 0 | 112.1 | E252 M255 I256 N257 E262 T263 | E252-K259 IonicContact OE1-NZ 3.93Å; M255-K259 WeakPolarHBondContact O-CG 3.33Å; M255-K259 PolarHBondContact O-N 3.17Å; I256-K259 WeakPolarHBondContact O-CB 3.46Å; I256-K259 PolarHBondContact O-N 3.17Å; N257-K259 VanDerWaalsContact C-N 3.34Å; N257-K259 PolarHBondContact O-N 3.49Å; K259-E262 PolarHBondContact O-N 2.95Å; K259-T263 PolarHBondContact O-N 3.46Å; K259-T263 PolarHBondContact O-OG1 3.43Å |
| 260 | Q | 98.1 | Very high | 98.1 | Very high | 95 Ų | 95 | 34.1 Ų | 34.1 | 44% | 0.444 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -68 | -39.1 | 175.8 | -68.9 | 174.7 | -11.4 | 0 | 0 | 112.1 | I256 N257 I258 T263 A264 M308 | I256-Q260 WeakPolarHBondContact O-CG 3.33Å; I256-Q260 PolarHBondContact O-N 3.43Å; N257-Q260 WeakPolarHBondContact O-CB 3.38Å; N257-Q260 PolarHBondContact O-N 3.22Å; I258-Q260 VanDerWaalsContact C-N 3.3Å; I258-Q260 PolarHBondContact O-N 3.19Å; Q260-T263 WeakPolarHBondContact O-CB 3.4Å; Q260-T263 PolarHBondContact O-N 2.72Å; Q260-A264 PolarHBondContact O-N 2.8Å; Q260-M308 HydrophobicContact CB-CE 3.45Å; Q260-M308 VanDerWaalsContact CB-CE 3.45Å |
| 261 | Y | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.7 | -47.6 | 172.5 | 158.7 | -100.5 | 0 | 0 | 0 | 111.8 | L159 I163 N257 I258 T263 A264 R265 F305 M308 R309 V312 | L159-Y261 HydrophobicContact CD2-CE1 4.04Å; L159-Y261 HydrophobicContact CD2-CE2 4.05Å; I163-Y261 HydrophobicContact CD1-CE1 4.43Å; N257-Y261 PolarHBondContact O-N 3.38Å; I258-Y261 WeakPolarHBondContact O-CB 3.43Å; I258-Y261 PolarHBondContact O-N 3.07Å; Y261-T263 VanDerWaalsContact C-N 3.28Å; Y261-T263 PolarHBondContact O-N 3.43Å; Y261-A264 PolarHBondContact O-N 3.42Å; Y261-A264 VanDerWaalsContact O-N 3.12Å; Y261-R265 PolarHBondContact O-N 2.91Å; Y261-F305 HydrophobicContact CD2-CD2 4.47Å; Y261-F305 HydrophobicContact CD2-CE2 4.27Å; Y261-F305 HydrophobicContact CE2-CD2 4.08Å; Y261-F305 AromaticContact CE2-CE2 3.46Å; Y261-F305 HydrophobicContact CE2-CE2 3.46Å; Y261-F305 VanDerWaalsContact CE2-CE2 3.46Å; Y261-F305 HydrophobicContact CE2-CZ 4.28Å; Y261-M308 HydrophobicContact CD2-CB 4.36Å; Y261-R309 HydrophobicContact CD2-CB 4.04Å; Y261-R309 HydrophobicContact CE2-CB 3.69Å; Y261-R309 HydrophobicContact CE2-CG 3.85Å; Y261-V312 HydrophobicContact CG-CG2 4.24Å |
| 262 | E | 98.1 | Very high | 98.1 | Very high | 50 Ų | 50 | 34.2 Ų | 34.2 | 23% | 0.234 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.3 | -39.1 | 176.1 | -73.7 | -60.6 | 149.9 | 0 | 0 | 112 | I258 K259 R265 V266 | I258-E262 WeakPolarHBondContact O-CG 3.29Å; I258-E262 PolarHBondContact O-N 3.45Å; K259-E262 PolarHBondContact O-N 2.95Å; E262-R265 WeakPolarHBondContact O-CB 3.27Å; E262-R265 PolarHBondContact O-N 3.15Å; E262-R265 IonicContact OE2-NE 3.97Å; E262-R265 PolarHBondContact OE2-NE 2.92Å; E262-V266 WeakPolarHBondContact O-CG2 3.4Å; E262-V266 PolarHBondContact O-N 3.49Å |
| 263 | T | 98 | Very high | 98 | Very high | 77 Ų | 77 | 33.6 Ų | 33.6 | 47% | 0.472 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -63.1 | -45.7 | 174.6 | -55.8 | 0 | 0 | 0 | 0 | 111.1 | K259 Q260 Y261 R265 V266 E267 | K259-T263 PolarHBondContact O-N 3.46Å; K259-T263 PolarHBondContact O-OG1 3.43Å; Q260-T263 WeakPolarHBondContact O-CB 3.4Å; Q260-T263 PolarHBondContact O-N 2.72Å; Y261-T263 VanDerWaalsContact C-N 3.28Å; Y261-T263 PolarHBondContact O-N 3.43Å; T263-R265 VanDerWaalsContact C-N 3.33Å; T263-R265 PolarHBondContact O-N 2.98Å; T263-V266 PolarHBondContact O-N 3.25Å; T263-E267 WeakPolarHBondContact O-CG 3.31Å; T263-E267 PolarHBondContact O-N 2.85Å |
| 264 | A | 98.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.8 | -35.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q260 Y261 Y268 K304 M308 | Q260-A264 PolarHBondContact O-N 2.8Å; Y261-A264 PolarHBondContact O-N 3.42Å; Y261-A264 VanDerWaalsContact O-N 3.12Å; A264-Y268 WeakPolarHBondContact O-CB 3.47Å; A264-Y268 PolarHBondContact O-N 2.98Å; A264-K304 HydrophobicContact CB-CD 4.5Å; A264-K304 HydrophobicContact CB-CG 4.28Å; A264-M308 HydrophobicContact CB-CB 4.26Å; A264-M308 HydrophobicContact CB-CG 3.96Å |
| 265 | R | 98.4 | Very high | 97.8 | Very high | 12 Ų | 12 | 31.1 Ų | 31.1 | 5% | 0.045 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.8 | -50 | 173.6 | -176.6 | -153 | 65.5 | 83 | -14.9 | 111.4 | E146 T154 Y261 E262 T263 E267 Y268 D269 F305 | E146-R265 IonicContact OE1-CZ 3.9Å; E146-R265 IonicContact OE1-NH1 2.77Å; E146-R265 PolarHBondContact OE1-NH1 3.47Å; E146-R265 IonicContact OE1-NH2 2.71Å; E146-R265 IonicContact OE2-CZ 3.59Å; E146-R265 IonicContact OE2-NH1 3.75Å; E146-R265 PolarHBondContact OE2-NH1 2.89Å; E146-R265 IonicContact OE2-NH2 2.96Å; E146-R265 PolarHBondContact OE2-NH2 2.9Å; T154-R265 VanDerWaalsContact O-CD 3.32Å; T154-R265 WeakPolarHBondContact O-CD 3.35Å; Y261-R265 PolarHBondContact O-N 2.91Å; E262-R265 WeakPolarHBondContact O-CB 3.27Å; E262-R265 PolarHBondContact O-N 3.15Å; E262-R265 IonicContact OE2-NE 3.97Å; E262-R265 PolarHBondContact OE2-NE 2.92Å; T263-R265 VanDerWaalsContact C-N 3.33Å; T263-R265 PolarHBondContact O-N 2.98Å; R265-E267 VanDerWaalsContact C-N 3.32Å; R265-E267 PolarHBondContact O-N 3.48Å; R265-Y268 WeakPolarHBondContact O-CB 3.46Å; R265-Y268 PolarHBondContact O-N 3.42Å; R265-D269 IonicContact CZ-OD2 2.89Å; R265-D269 IonicContact NH1-OD2 3.65Å; R265-D269 PolarHBondContact NH1-OD2 3.31Å; R265-D269 PolarHBondContact O-N 3.42Å; R265-F305 HydrophobicContact CB-CD2 3.86Å; R265-F305 HydrophobicContact CB-CE2 3.74Å; R265-F305 HydrophobicContact CG-CD2 4.37Å; R265-F305 HydrophobicContact CG-CE2 3.87Å |
| 266 | V | 98.3 | Very high | 97.6 | Very high | 13 Ų | 13 | 34.7 Ų | 34.7 | 8% | 0.079 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.6 | -43.4 | 178.6 | 171 | 0 | 0 | 0 | 0 | 111 | C139 Q142 I143 E262 T263 D269 A270 | C139-V266 HydrophobicContact CB-CG1 3.77Å; Q142-V266 HydrophobicContact CB-CG1 4.41Å; Q142-V266 HydrophobicContact CG-CG1 4.37Å; I143-V266 HydrophobicContact CD1-CG1 3.97Å; I143-V266 HydrophobicContact CD1-CG2 4.48Å; I143-V266 HydrophobicContact CG1-CG1 3.7Å; I143-V266 HydrophobicContact CG1-CG2 4.07Å; E262-V266 WeakPolarHBondContact O-CG2 3.4Å; E262-V266 PolarHBondContact O-N 3.49Å; T263-V266 PolarHBondContact O-N 3.25Å; V266-D269 PolarHBondContact O-N 3.47Å; V266-A270 WeakPolarHBondContact O-CB 3.33Å; V266-A270 PolarHBondContact O-N 3.35Å |
| 267 | E | 98.1 | Very high | 97.4 | Very high | 16 Ų | 16 | 36 Ų | 36 | 8% | 0.075 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.8 | -49.6 | 174.8 | -73.9 | 177.6 | 171.9 | 0 | 0 | 111.1 | N135 C139 T263 R265 D269 A270 Y271 H301 K304 | N135-E267 PolarHBondContact ND2-OE1 3.39Å; N135-E267 VanDerWaalsContact ND2-OE1 3.1Å; C139-E267 VanDerWaalsContact SG-CG 3.52Å; T263-E267 WeakPolarHBondContact O-CG 3.31Å; T263-E267 PolarHBondContact O-N 2.85Å; R265-E267 VanDerWaalsContact C-N 3.32Å; R265-E267 PolarHBondContact O-N 3.48Å; E267-D269 VanDerWaalsContact C-N 3.34Å; E267-D269 PolarHBondContact O-N 3.17Å; E267-A270 PolarHBondContact O-N 3.25Å; E267-Y271 VanDerWaalsContact O-CD2 3.28Å; E267-Y271 WeakPolarHBondContact O-CD2 3.32Å; E267-Y271 PolarHBondContact O-N 2.98Å; E267-H301 IonicContact OE2-CE1 3.66Å; E267-H301 PolarHBondContact OE2-CE1 3.4Å; E267-H301 IonicContact OE2-ND1 2.64Å; E267-H301 PolarHBondContact OE2-ND1 3.39Å; E267-K304 IonicContact OE1-NZ 3.91Å; E267-K304 PolarHBondContact OE1-NZ 2.87Å; E267-K304 IonicContact OE2-NZ 3.67Å; E267-K304 PolarHBondContact OE2-NZ 3.21Å |
| 268 | Y | 98.4 | Very high | 97.2 | Very high | 35 Ų | 35 | 37.9 Ų | 37.9 | 14% | 0.137 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -54 | -49.6 | 176.7 | 166.4 | -106.8 | 0 | 0 | 0 | 112.1 | T154 A264 R265 A270 Y271 R272 F298 R302 F305 | T154-Y268 HydrophobicContact CG2-CE1 4.33Å; T154-Y268 WeakPolarHBondContact OG1-CE1 3.07Å; A264-Y268 WeakPolarHBondContact O-CB 3.47Å; A264-Y268 PolarHBondContact O-N 2.98Å; R265-Y268 WeakPolarHBondContact O-CB 3.46Å; R265-Y268 PolarHBondContact O-N 3.42Å; Y268-A270 VanDerWaalsContact C-N 3.32Å; Y268-A270 PolarHBondContact O-N 3.18Å; Y268-Y271 PolarHBondContact O-N 3.33Å; Y268-R272 VanDerWaalsContact O-CB 3.28Å; Y268-R272 WeakPolarHBondContact O-CB 3.41Å; Y268-R272 PolarHBondContact O-N 2.85Å; Y268-F298 HydrophobicContact CD2-CE2 4.16Å; Y268-F298 HydrophobicContact CE2-CD2 4.3Å; Y268-F298 AromaticContact CE2-CE2 3.46Å; Y268-F298 HydrophobicContact CE2-CE2 3.46Å; Y268-F298 VanDerWaalsContact CE2-CE2 3.46Å; Y268-F298 AromaticContact CE2-CZ 3.95Å; Y268-F298 HydrophobicContact CE2-CZ 3.95Å; Y268-R302 HydrophobicContact CD2-CB 3.87Å; Y268-R302 HydrophobicContact CD2-CG 4.32Å; Y268-R302 HydrophobicContact CE2-CB 3.79Å; Y268-R302 HydrophobicContact CE2-CG 3.86Å; Y268-F305 HydrophobicContact CD1-CD1 4.05Å; Y268-F305 HydrophobicContact CD1-CE1 4.36Å; Y268-F305 HydrophobicContact CD1-CG 4.35Å; Y268-F305 HydrophobicContact CE1-CD1 4.43Å; Y268-F305 HydrophobicContact CG-CB 4.2Å; Y268-F305 HydrophobicContact CG-CD1 4.15Å; Y268-F305 HydrophobicContact CG-CG 4.22Å |
| 269 | D | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.5 | -36 | 179.8 | -76.8 | -33.2 | 0 | 0 | 0 | 112.6 | Q142 T154 R265 V266 E267 R272 T273 | Q142-D269 HydrophobicContact CG-CB 3.95Å; T154-D269 WeakPolarHBondContact CB-OD1 3.5Å; T154-D269 WeakPolarHBondContact CB-OD2 3.12Å; T154-D269 PolarHBondContact N-OD2 2.82Å; T154-D269 PolarHBondContact OG1-OD1 3.32Å; T154-D269 PolarHBondContact OG1-OD2 3.41Å; R265-D269 IonicContact CZ-OD2 2.89Å; R265-D269 IonicContact NH1-OD2 3.65Å; R265-D269 PolarHBondContact NH1-OD2 3.31Å; R265-D269 PolarHBondContact O-N 3.42Å; V266-D269 PolarHBondContact O-N 3.47Å; E267-D269 VanDerWaalsContact C-N 3.34Å; E267-D269 PolarHBondContact O-N 3.17Å; D269-R272 IonicContact OD1-NE 2.81Å; D269-T273 WeakPolarHBondContact O-CB 3.28Å; D269-T273 PolarHBondContact O-N 3.05Å; D269-T273 PolarHBondContact O-OG1 2.91Å |
| 270 | A | 97.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.2 | -45.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K138 Q142 V266 E267 Y268 T273 D274 | K138-A270 HydrophobicContact CB-CB 4.1Å; Q142-A270 HydrophobicContact CB-CB 3.81Å; Q142-A270 HydrophobicContact CG-CB 4.21Å; V266-A270 WeakPolarHBondContact O-CB 3.33Å; V266-A270 PolarHBondContact O-N 3.35Å; E267-A270 PolarHBondContact O-N 3.25Å; Y268-A270 VanDerWaalsContact C-N 3.32Å; Y268-A270 PolarHBondContact O-N 3.18Å; A270-T273 PolarHBondContact O-N 3.03Å; A270-D274 PolarHBondContact O-N 3.21Å |
| 271 | Y | 97.6 | Very high | 96.5 | Very high | 17 Ų | 17 | 39.4 Ų | 39.4 | 7% | 0.067 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -75.5 | -27.1 | 177.8 | -76.5 | -91 | 0 | 0 | 0 | 113.2 | N135 K138 E267 Y268 L275 Q297 H301 | N135-Y271 VanDerWaalsContact OD1-CE2 3.27Å; N135-Y271 WeakPolarHBondContact OD1-CE2 3.45Å; N135-Y271 PolarHBondContact OD1-OH 3.47Å; K138-Y271 HydrophobicContact CD-CE1 4.02Å; K138-Y271 HydrophobicContact CD-CE2 4.2Å; K138-Y271 VanDerWaalsContact NZ-CE1 3.27Å; E267-Y271 VanDerWaalsContact O-CD2 3.28Å; E267-Y271 WeakPolarHBondContact O-CD2 3.32Å; E267-Y271 PolarHBondContact O-N 2.98Å; Y268-Y271 PolarHBondContact O-N 3.33Å; Y271-L275 WeakPolarHBondContact O-CB 3.4Å; Y271-L275 PolarHBondContact O-N 2.89Å; Y271-L275 VanDerWaalsContact O-N 3.13Å; Y271-Q297 HydrophobicContact CD1-CB 3.62Å; Y271-Q297 HydrophobicContact CE1-CB 3.77Å; Y271-Q297 HydrophobicContact CE1-CG 4.24Å; Y271-H301 HydrophobicContact CD2-CB 4.4Å; Y271-H301 AromaticContact CD2-CD2 3.34Å; Y271-H301 WeakPolarHBondContact CD2-CD2 3.15Å; Y271-H301 AromaticContact CD2-CG 3.75Å; Y271-H301 AromaticContact CD2-NE2 3.62Å; Y271-H301 AromaticContact CE2-CD2 3.43Å; Y271-H301 VanDerWaalsContact CE2-CD2 3.43Å; Y271-H301 WeakPolarHBondContact CE2-CD2 3.36Å; Y271-H301 AromaticContact CE2-CE1 3.68Å; Y271-H301 AromaticContact CE2-NE2 3.16Å; Y271-H301 WeakPolarHBondContact CE2-NE2 3.33Å; Y271-H301 AromaticContact CG-CD2 3.72Å; Y271-H301 AromaticContact CZ-CD2 3.86Å; Y271-H301 AromaticContact CZ-NE2 3.47Å |
| 272 | R | 97.8 | Very high | 96.1 | Very high | 33 Ų | 33 | 43.7 Ų | 43.7 | 13% | 0.125 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.8 | -51 | 169 | -174.2 | -174.9 | 62.8 | 67.6 | 11.6 | 110.4 | S152 Y268 D269 D274 L275 E276 F298 | S152-R272 PolarHBondContact O-NH2 2.85Å; Y268-R272 VanDerWaalsContact O-CB 3.28Å; Y268-R272 WeakPolarHBondContact O-CB 3.41Å; Y268-R272 PolarHBondContact O-N 2.85Å; D269-R272 IonicContact OD1-NE 2.81Å; R272-D274 PolarHBondContact O-N 2.9Å; R272-L275 PolarHBondContact O-N 2.87Å; R272-E276 WeakPolarHBondContact CG-OE1 3.4Å; R272-E276 IonicContact CZ-OE1 3.26Å; R272-E276 IonicContact CZ-OE2 2.68Å; R272-E276 IonicContact NH1-OE1 2.84Å; R272-E276 PolarHBondContact NH1-OE1 3.26Å; R272-E276 IonicContact NH1-OE2 3.51Å; R272-E276 PolarHBondContact NH1-OE2 2.9Å; R272-E276 WeakPolarHBondContact O-CG 3.41Å; R272-E276 PolarHBondContact O-N 2.77Å; R272-F298 HydrophobicContact CB-CD2 4.04Å; R272-F298 HydrophobicContact CB-CE2 3.79Å; R272-F298 HydrophobicContact CG-CE2 3.9Å |
| 273 | T | 96.1 | Very high | 95.8 | Very high | 28 Ų | 28 | 50 Ų | 50 | 17% | 0.172 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 179.7 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | Q142 D269 A270 L275 E276 E277 | Q142-T273 PolarHBondContact OE1-OG1 3.08Å; D269-T273 WeakPolarHBondContact O-CB 3.28Å; D269-T273 PolarHBondContact O-N 3.05Å; D269-T273 PolarHBondContact O-OG1 2.91Å; A270-T273 PolarHBondContact O-N 3.03Å; T273-L275 VanDerWaalsContact C-N 3.33Å; T273-L275 PolarHBondContact O-N 3.27Å; T273-E276 PolarHBondContact O-N 2.91Å; T273-E277 HydrophobicContact CG2-CG 4.45Å; T273-E277 WeakPolarHBondContact O-CG 3.35Å; T273-E277 PolarHBondContact O-N 2.79Å |
| 274 | D | 94.7 | Very high | 95.6 | Very high | 17 Ų | 17 | 49.8 Ų | 49.8 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.3 | -40.8 | 176.3 | -81.3 | -20.8 | 0 | 0 | 0 | 113.2 | K138 R141 A270 R272 E277 L278 | K138-D274 WeakPolarHBondContact CD-OD2 3.32Å; K138-D274 WeakPolarHBondContact CE-OD2 3.35Å; K138-D274 IonicContact NZ-OD2 2.83Å; K138-D274 PolarHBondContact NZ-OD2 3.38Å; R141-D274 IonicContact CZ-OD1 3.05Å; R141-D274 IonicContact NH1-OD1 2.63Å; R141-D274 IonicContact NH2-OD1 3.57Å; R141-D274 PolarHBondContact NH2-OD1 3.22Å; R141-D274 IonicContact NH2-OD2 3.33Å; A270-D274 PolarHBondContact O-N 3.21Å; R272-D274 PolarHBondContact O-N 2.9Å; D274-E277 PolarHBondContact O-N 3.33Å; D274-L278 WeakPolarHBondContact O-CB 3.39Å; D274-L278 WeakPolarHBondContact O-CG 3.35Å; D274-L278 PolarHBondContact O-N 3.35Å |
| 275 | L | 96.3 | Very high | 95.2 | Very high | 20 Ų | 20 | 52.9 Ų | 52.9 | 11% | 0.105 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.9 | -40.2 | 177.4 | 179.6 | 61.4 | 0 | 0 | 0 | 111.3 | Y271 R272 T273 N279 Q295 F298 | Y271-L275 WeakPolarHBondContact O-CB 3.4Å; Y271-L275 PolarHBondContact O-N 2.89Å; Y271-L275 VanDerWaalsContact O-N 3.13Å; R272-L275 PolarHBondContact O-N 2.87Å; T273-L275 VanDerWaalsContact C-N 3.33Å; T273-L275 PolarHBondContact O-N 3.27Å; L275-N279 WeakPolarHBondContact O-CB 3.5Å; L275-N279 PolarHBondContact O-N 3.46Å; L275-N279 PolarHBondContact O-ND2 3.38Å; L275-Q295 HydrophobicContact CD1-CB 4.23Å; L275-F298 HydrophobicContact CD2-CB 3.82Å; L275-F298 HydrophobicContact CD2-CD1 3.91Å; L275-F298 HydrophobicContact CD2-CD2 4.47Å; L275-F298 HydrophobicContact CD2-CG 3.8Å |
| 276 | E | 95.4 | Very high | 94.8 | Very high | 94 Ų | 94 | 58.4 Ų | 58.4 | 44% | 0.439 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 174.4 | -73.2 | 168.6 | -174.6 | 0 | 0 | 111.2 | R272 T273 N279 L280 | R272-E276 WeakPolarHBondContact CG-OE1 3.4Å; R272-E276 IonicContact CZ-OE1 3.26Å; R272-E276 IonicContact CZ-OE2 2.68Å; R272-E276 IonicContact NH1-OE1 2.84Å; R272-E276 PolarHBondContact NH1-OE1 3.26Å; R272-E276 IonicContact NH1-OE2 3.51Å; R272-E276 PolarHBondContact NH1-OE2 2.9Å; R272-E276 WeakPolarHBondContact O-CG 3.41Å; R272-E276 PolarHBondContact O-N 2.77Å; T273-E276 PolarHBondContact O-N 2.91Å; E276-N279 PolarHBondContact O-N 3.01Å; E276-L280 PolarHBondContact O-N 2.94Å |
| 277 | E | 93.3 | Very high | 94.5 | Very high | 104 Ų | 104 | 58.9 Ų | 58.9 | 49% | 0.486 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.8 | -45.8 | 176.8 | -74.5 | 179.3 | -172.5 | 0 | 0 | 112.2 | T273 D274 N279 L280 | T273-E277 HydrophobicContact CG2-CG 4.45Å; T273-E277 WeakPolarHBondContact O-CG 3.35Å; T273-E277 PolarHBondContact O-N 2.79Å; D274-E277 PolarHBondContact O-N 3.33Å; E277-N279 VanDerWaalsContact C-N 3.31Å; E277-N279 PolarHBondContact O-N 2.83Å; E277-L280 PolarHBondContact O-N 2.72Å |
| 278 | L | 93.8 | Very high | 94.3 | Very high | 58 Ų | 58 | 60.8 Ų | 60.8 | 30% | 0.304 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65 | -34.6 | 178.1 | -74.6 | 172.1 | 0 | 0 | 0 | 112.5 | D274 L280 G281 I291 | D274-L278 WeakPolarHBondContact O-CB 3.39Å; D274-L278 WeakPolarHBondContact O-CG 3.35Å; D274-L278 PolarHBondContact O-N 3.35Å; L278-L280 PolarHBondContact O-N 2.86Å; L278-G281 PolarHBondContact O-N 3.36Å; L278-G281 VanDerWaalsContact O-N 3.08Å; L278-I291 HydrophobicContact CB-CG1 4.08Å |
| 279 | N | 93.8 | Very high | 94.1 | Very high | 67 Ų | 67 | 62.4 Ų | 62.4 | 36% | 0.358 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.2 | -18.5 | 178 | -83.9 | -47.5 | 0 | 0 | 0 | 113.9 | L275 E276 E277 G281 | L275-N279 WeakPolarHBondContact O-CB 3.5Å; L275-N279 PolarHBondContact O-N 3.46Å; L275-N279 PolarHBondContact O-ND2 3.38Å; E276-N279 PolarHBondContact O-N 3.01Å; E277-N279 VanDerWaalsContact C-N 3.31Å; E277-N279 PolarHBondContact O-N 2.83Å; N279-G281 VanDerWaalsContact C-N 3.29Å |
| 280 | L | 93.9 | Very high | 93.9 | Very high | 155 Ų | 155 | 68.3 Ų | 68.3 | 81% | 0.812 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -13.8 | 171.7 | -63.5 | 172.9 | 0 | 0 | 0 | 112.7 | E276 E277 L278 | E276-L280 PolarHBondContact O-N 2.94Å; E277-L280 PolarHBondContact O-N 2.72Å; L278-L280 PolarHBondContact O-N 2.86Å |
| 281 | G | 91 | Very high | 93.8 | Very high | 28 Ų | 28 | 68.9 Ų | 68.9 | 29% | 0.289 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -78.1 | 169.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | L278 N279 | L278-G281 PolarHBondContact O-N 3.36Å; L278-G281 VanDerWaalsContact O-N 3.08Å; N279-G281 VanDerWaalsContact C-N 3.29Å |
| 282 | P | 90.7 | Very high | 93.7 | Very high | 91 Ų | 91 | 73.9 Ų | 73.9 | 59% | 0.591 | 39% | 0.393 | S | S | * | . | trans | -65.8 | 143.4 | 177.2 | 27.5 | -33.6 | 0 | 0 | 0 | 111.9 | D284 T287 | P282-D284 VanDerWaalsContact C-N 3.34Å; P282-D284 PolarHBondContact O-N 2.91Å; P282-T287 VanDerWaalsContact O-CB 3.23Å; P282-T287 WeakPolarHBondContact O-CB 3.43Å; P282-T287 VanDerWaalsContact O-CG2 3.28Å; P282-T287 WeakPolarHBondContact O-CG2 3.45Å | ||
| 283 | R | 91.8 | Very high | 93.5 | Very high | 184 Ų | 184 | 78 Ų | 78 | 69% | 0.694 | 41% | 0.414 | S | S | * | . | trans | -91.3 | 62.8 | 178.2 | -63.2 | -161.7 | 171 | -176.4 | -2.3 | 112.2 | M288 | R283-M288 HydrophobicContact CB-CE 3.66Å; R283-M288 HydrophobicContact CB-SD 3.94Å; R283-M288 HydrophobicContact CG-CE 3.52Å; R283-M288 HydrophobicContact CG-SD 4.3Å | ||
| 284 | D | 93.2 | Very high | 93.5 | Very high | 72 Ų | 72 | 77.2 Ų | 77.2 | 39% | 0.385 | 41% | 0.409 | S | S | . | . | trans | -95.6 | 171.7 | 177 | 69.4 | 10.1 | 0 | 0 | 0 | 112.6 | P282 N286 T287 M288 | P282-D284 VanDerWaalsContact C-N 3.34Å; P282-D284 PolarHBondContact O-N 2.91Å; D284-N286 PolarHBondContact O-N 3.5Å; D284-N286 VanDerWaalsContact O-N 3.09Å; D284-N286 PolarHBondContact OD1-N 3.27Å; D284-T287 PolarHBondContact O-N 3.05Å; D284-T287 VanDerWaalsContact O-N 3.15Å; D284-T287 WeakPolarHBondContact OD1-CB 3.47Å; D284-T287 PolarHBondContact OD1-N 2.92Å; D284-T287 PolarHBondContact OD1-OG1 3.18Å; D284-M288 VanDerWaalsContact O-CG 3.26Å; D284-M288 WeakPolarHBondContact O-CG 3.41Å; D284-M288 PolarHBondContact O-N 3.44Å | ||
| 285 | G | 90 | Very high | 93.7 | Very high | 66 Ų | 66 | 81.9 Ų | 81.9 | 68% | 0.68 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -18.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | P289 | G285-P289 VanDerWaalsContact O-CD 3.29Å; G285-P289 WeakPolarHBondContact O-CD 3.34Å |
| 286 | N | 90.9 | Very high | 93.7 | Very high | 128 Ų | 128 | 87 Ų | 87 | 68% | 0.684 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -27.6 | 178.4 | -70.5 | -12.3 | 0 | 0 | 0 | 112.7 | D284 | D284-N286 PolarHBondContact O-N 3.5Å; D284-N286 VanDerWaalsContact O-N 3.09Å; D284-N286 PolarHBondContact OD1-N 3.27Å |
| 287 | T | 91.2 | Very high | 93.8 | Very high | 23 Ų | 23 | 85.4 Ų | 85.4 | 14% | 0.141 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -34.7 | -176.5 | -53.5 | 0 | 0 | 0 | 0 | 111.5 | P282 D284 K290 I291 | P282-T287 VanDerWaalsContact O-CB 3.23Å; P282-T287 WeakPolarHBondContact O-CB 3.43Å; P282-T287 VanDerWaalsContact O-CG2 3.28Å; P282-T287 WeakPolarHBondContact O-CG2 3.45Å; D284-T287 PolarHBondContact O-N 3.05Å; D284-T287 VanDerWaalsContact O-N 3.15Å; D284-T287 WeakPolarHBondContact OD1-CB 3.47Å; D284-T287 PolarHBondContact OD1-N 2.92Å; D284-T287 PolarHBondContact OD1-OG1 3.18Å; T287-K290 WeakPolarHBondContact O-CB 3.34Å; T287-K290 PolarHBondContact O-N 3.29Å; T287-I291 HydrophobicContact CG2-CD1 3.99Å; T287-I291 HydrophobicContact CG2-CG1 4.18Å; T287-I291 PolarHBondContact O-N 2.97Å |
| 288 | M | 94.3 | Very high | 94 | Very high | 56 Ų | 56 | 82 Ų | 82 | 28% | 0.276 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -53.8 | -47.3 | 179 | -67.6 | -78.8 | 80.2 | 0 | 0 | 113.6 | R283 D284 K290 I291 E292 | R283-M288 HydrophobicContact CB-CE 3.66Å; R283-M288 HydrophobicContact CB-SD 3.94Å; R283-M288 HydrophobicContact CG-CE 3.52Å; R283-M288 HydrophobicContact CG-SD 4.3Å; D284-M288 VanDerWaalsContact O-CG 3.26Å; D284-M288 WeakPolarHBondContact O-CG 3.41Å; D284-M288 PolarHBondContact O-N 3.44Å; M288-K290 VanDerWaalsContact C-N 3.28Å; M288-K290 PolarHBondContact O-N 3.42Å; M288-I291 HydrophobicContact CE-CB 4.46Å; M288-I291 HydrophobicContact CE-CD1 3.61Å; M288-I291 HydrophobicContact CE-CG1 4.46Å; M288-I291 PolarHBondContact O-N 3.05Å; M288-E292 WeakPolarHBondContact O-CG 3.45Å; M288-E292 PolarHBondContact O-N 3.03Å |
| 289 | P | 94.7 | Very high | 94.2 | Very high | 68 Ų | 68 | 82.8 Ų | 82.8 | 44% | 0.442 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.6 | -32.7 | 177.4 | -23 | 34.5 | 0 | 0 | 0 | 113.6 | G285 Q293 | G285-P289 VanDerWaalsContact O-CD 3.29Å; G285-P289 WeakPolarHBondContact O-CD 3.34Å; P289-Q293 WeakPolarHBondContact O-CB 3.49Å; P289-Q293 PolarHBondContact O-N 2.94Å |
| 290 | K | 93.8 | Very high | 94.4 | Very high | 125 Ų | 125 | 84 Ų | 84 | 54% | 0.543 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -71 | -37.7 | 177.6 | -64.9 | 179.3 | -178 | 174.9 | 0 | 111.6 | T287 M288 Q293 S294 | T287-K290 WeakPolarHBondContact O-CB 3.34Å; T287-K290 PolarHBondContact O-N 3.29Å; M288-K290 VanDerWaalsContact C-N 3.28Å; M288-K290 PolarHBondContact O-N 3.42Å; K290-Q293 PolarHBondContact O-N 3.36Å; K290-S294 VanDerWaalsContact O-CB 3.31Å; K290-S294 WeakPolarHBondContact O-CB 3.44Å; K290-S294 PolarHBondContact O-N 2.85Å |
| 291 | I | 95.1 | Very high | 94.6 | Very high | 12 Ų | 12 | 77.5 Ų | 77.5 | 6% | 0.062 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.6 | -46.9 | 175 | -68.3 | -178.1 | 0 | 0 | 0 | 109.9 | L278 T287 M288 Q293 S294 Q295 | L278-I291 HydrophobicContact CB-CG1 4.08Å; T287-I291 HydrophobicContact CG2-CD1 3.99Å; T287-I291 HydrophobicContact CG2-CG1 4.18Å; T287-I291 PolarHBondContact O-N 2.97Å; M288-I291 HydrophobicContact CE-CB 4.46Å; M288-I291 HydrophobicContact CE-CD1 3.61Å; M288-I291 HydrophobicContact CE-CG1 4.46Å; M288-I291 PolarHBondContact O-N 3.05Å; I291-Q293 PolarHBondContact O-N 3.35Å; I291-S294 PolarHBondContact O-N 3.12Å; I291-Q295 WeakPolarHBondContact O-CB 3.33Å; I291-Q295 PolarHBondContact O-N 3.46Å |
| 292 | E | 95.5 | Very high | 94.9 | Very high | 122 Ų | 122 | 80.8 Ų | 80.8 | 57% | 0.57 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -58 | -46.4 | 176.1 | -71 | 175.4 | -175.9 | 0 | 0 | 111.8 | M288 S294 Q295 Q296 | M288-E292 WeakPolarHBondContact O-CG 3.45Å; M288-E292 PolarHBondContact O-N 3.03Å; E292-S294 PolarHBondContact O-N 3.22Å; E292-Q295 PolarHBondContact O-N 3.34Å; E292-Q296 WeakPolarHBondContact O-CG 3.44Å; E292-Q296 PolarHBondContact O-N 3.02Å; E292-Q296 VanDerWaalsContact O-N 3.13Å |
| 293 | Q | 94.9 | Very high | 95.3 | Very high | 120 Ų | 120 | 80.6 Ų | 80.6 | 56% | 0.561 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -62.1 | -44 | 175.9 | -172.5 | -176.8 | 10.5 | 0 | 0 | 112.1 | P289 K290 I291 Q295 Q296 Q297 | P289-Q293 WeakPolarHBondContact O-CB 3.49Å; P289-Q293 PolarHBondContact O-N 2.94Å; K290-Q293 PolarHBondContact O-N 3.36Å; I291-Q293 PolarHBondContact O-N 3.35Å; Q293-Q295 VanDerWaalsContact C-N 3.29Å; Q293-Q295 PolarHBondContact O-N 3.37Å; Q293-Q296 PolarHBondContact O-N 2.91Å; Q293-Q297 WeakPolarHBondContact O-CG 3.48Å; Q293-Q297 PolarHBondContact O-N 3.49Å; Q293-Q297 VanDerWaalsContact O-N 3.08Å |
| 294 | S | 95.8 | Very high | 95.6 | Very high | 11 Ų | 11 | 75.4 Ų | 75.4 | 8% | 0.077 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.7 | -35.5 | 178.7 | -165.8 | 0 | 0 | 0 | 0 | 111.9 | K290 I291 E292 Q297 F298 | K290-S294 VanDerWaalsContact O-CB 3.31Å; K290-S294 WeakPolarHBondContact O-CB 3.44Å; K290-S294 PolarHBondContact O-N 2.85Å; I291-S294 PolarHBondContact O-N 3.12Å; E292-S294 PolarHBondContact O-N 3.22Å; S294-Q297 PolarHBondContact O-N 3.4Å; S294-F298 WeakPolarHBondContact O-CB 3.33Å; S294-F298 PolarHBondContact O-N 2.7Å |
| 295 | Q | 97.6 | Very high | 95.9 | Very high | 116 Ų | 116 | 72.5 Ų | 72.5 | 54% | 0.542 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 176.3 | -170.9 | 171.5 | 2.1 | 0 | 0 | 111.7 | L275 I291 E292 Q293 F298 Q299 | L275-Q295 HydrophobicContact CD1-CB 4.23Å; I291-Q295 WeakPolarHBondContact O-CB 3.33Å; I291-Q295 PolarHBondContact O-N 3.46Å; E292-Q295 PolarHBondContact O-N 3.34Å; Q293-Q295 VanDerWaalsContact C-N 3.29Å; Q293-Q295 PolarHBondContact O-N 3.37Å; Q295-F298 PolarHBondContact O-N 2.63Å; Q295-Q299 PolarHBondContact O-N 3.46Å |
| 296 | Q | 97.6 | Very high | 96.3 | Very high | 126 Ų | 126 | 72.4 Ų | 72.4 | 59% | 0.589 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.5 | -45.5 | 173.1 | -67.6 | 173.8 | 6.7 | 0 | 0 | 111.8 | E292 Q293 Q299 I300 | E292-Q296 WeakPolarHBondContact O-CG 3.44Å; E292-Q296 PolarHBondContact O-N 3.02Å; E292-Q296 VanDerWaalsContact O-N 3.13Å; Q293-Q296 PolarHBondContact O-N 2.91Å; Q296-Q299 PolarHBondContact O-N 3.22Å; Q296-I300 WeakPolarHBondContact O-CG1 3.4Å; Q296-I300 PolarHBondContact O-N 2.93Å; Q296-I300 VanDerWaalsContact O-N 3.08Å |
| 297 | Q | 96.3 | Very high | 96.7 | Very high | 62 Ų | 62 | 72.7 Ų | 72.7 | 29% | 0.29 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 178.2 | -65.8 | -57.7 | -60.6 | 0 | 0 | 112 | Y271 Q293 S294 Q299 I300 H301 | Y271-Q297 HydrophobicContact CD1-CB 3.62Å; Y271-Q297 HydrophobicContact CE1-CB 3.77Å; Y271-Q297 HydrophobicContact CE1-CG 4.24Å; Q293-Q297 WeakPolarHBondContact O-CG 3.48Å; Q293-Q297 PolarHBondContact O-N 3.49Å; Q293-Q297 VanDerWaalsContact O-N 3.08Å; S294-Q297 PolarHBondContact O-N 3.4Å; Q297-Q299 VanDerWaalsContact C-N 3.31Å; Q297-Q299 PolarHBondContact O-N 2.68Å; Q297-I300 PolarHBondContact O-N 2.89Å; Q297-H301 PolarHBondContact O-CD2 3.43Å; Q297-H301 VanDerWaalsContact O-CD2 3.25Å; Q297-H301 PolarHBondContact O-N 3.41Å |
| 298 | F | 98 | Very high | 97 | Very high | 33 Ų | 33 | 72.9 Ų | 72.9 | 15% | 0.145 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -55.3 | -46.7 | 174 | 167.5 | -102.9 | 0 | 0 | 0 | 111.6 | Y268 R272 L275 S294 Q295 I300 H301 R302 | Y268-F298 HydrophobicContact CD2-CE2 4.16Å; Y268-F298 HydrophobicContact CE2-CD2 4.3Å; Y268-F298 AromaticContact CE2-CE2 3.46Å; Y268-F298 HydrophobicContact CE2-CE2 3.46Å; Y268-F298 VanDerWaalsContact CE2-CE2 3.46Å; Y268-F298 AromaticContact CE2-CZ 3.95Å; Y268-F298 HydrophobicContact CE2-CZ 3.95Å; R272-F298 HydrophobicContact CB-CD2 4.04Å; R272-F298 HydrophobicContact CB-CE2 3.79Å; R272-F298 HydrophobicContact CG-CE2 3.9Å; L275-F298 HydrophobicContact CD2-CB 3.82Å; L275-F298 HydrophobicContact CD2-CD1 3.91Å; L275-F298 HydrophobicContact CD2-CD2 4.47Å; L275-F298 HydrophobicContact CD2-CG 3.8Å; S294-F298 WeakPolarHBondContact O-CB 3.33Å; S294-F298 PolarHBondContact O-N 2.7Å; Q295-F298 PolarHBondContact O-N 2.63Å; F298-I300 PolarHBondContact O-N 2.9Å; F298-H301 PolarHBondContact O-N 3.41Å; F298-R302 VanDerWaalsContact O-CB 3.27Å; F298-R302 WeakPolarHBondContact O-CB 3.47Å; F298-R302 PolarHBondContact O-N 2.94Å |
| 299 | Q | 98.3 | Very high | 97.2 | Very high | 74 Ų | 74 | 74.1 Ų | 74.1 | 35% | 0.346 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 179.7 | -173.5 | 57.7 | 33.9 | 0 | 0 | 112.2 | Q295 Q296 Q297 H301 R302 E303 | Q295-Q299 PolarHBondContact O-N 3.46Å; Q296-Q299 PolarHBondContact O-N 3.22Å; Q297-Q299 VanDerWaalsContact C-N 3.31Å; Q297-Q299 PolarHBondContact O-N 2.68Å; Q299-H301 PolarHBondContact O-N 2.85Å; Q299-R302 PolarHBondContact O-N 3.1Å; Q299-E303 PolarHBondContact NE2-OE1 3.33Å; Q299-E303 WeakPolarHBondContact O-CG 3.5Å; Q299-E303 PolarHBondContact O-N 3.42Å |
| 300 | I | 97.8 | Very high | 97.3 | Very high | 93 Ų | 93 | 75.1 Ų | 75.1 | 48% | 0.477 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.5 | -47.7 | 175.9 | -68.8 | 165 | 0 | 0 | 0 | 111.2 | Q296 Q297 F298 K304 | Q296-I300 WeakPolarHBondContact O-CG1 3.4Å; Q296-I300 PolarHBondContact O-N 2.93Å; Q296-I300 VanDerWaalsContact O-N 3.08Å; Q297-I300 PolarHBondContact O-N 2.89Å; F298-I300 PolarHBondContact O-N 2.9Å; I300-K304 WeakPolarHBondContact O-CB 3.36Å; I300-K304 PolarHBondContact O-N 3.29Å |
| 301 | H | 98.3 | Very high | 97.5 | Very high | 18 Ų | 18 | 72.6 Ų | 72.6 | 8% | 0.083 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -72.5 | -32.1 | -179 | -76.5 | -77.1 | 0 | 0 | 0 | 112.6 | E267 Y271 Q297 F298 Q299 K304 F305 | E267-H301 IonicContact OE2-CE1 3.66Å; E267-H301 PolarHBondContact OE2-CE1 3.4Å; E267-H301 IonicContact OE2-ND1 2.64Å; E267-H301 PolarHBondContact OE2-ND1 3.39Å; Y271-H301 HydrophobicContact CD2-CB 4.4Å; Y271-H301 AromaticContact CD2-CD2 3.34Å; Y271-H301 WeakPolarHBondContact CD2-CD2 3.15Å; Y271-H301 AromaticContact CD2-CG 3.75Å; Y271-H301 AromaticContact CD2-NE2 3.62Å; Y271-H301 AromaticContact CE2-CD2 3.43Å; Y271-H301 VanDerWaalsContact CE2-CD2 3.43Å; Y271-H301 WeakPolarHBondContact CE2-CD2 3.36Å; Y271-H301 AromaticContact CE2-CE1 3.68Å; Y271-H301 AromaticContact CE2-NE2 3.16Å; Y271-H301 WeakPolarHBondContact CE2-NE2 3.33Å; Y271-H301 AromaticContact CG-CD2 3.72Å; Y271-H301 AromaticContact CZ-CD2 3.86Å; Y271-H301 AromaticContact CZ-NE2 3.47Å; Q297-H301 PolarHBondContact O-CD2 3.43Å; Q297-H301 VanDerWaalsContact O-CD2 3.25Å; Q297-H301 PolarHBondContact O-N 3.41Å; F298-H301 PolarHBondContact O-N 3.41Å; Q299-H301 PolarHBondContact O-N 2.85Å; H301-K304 PolarHBondContact O-N 2.98Å; H301-F305 WeakPolarHBondContact O-CB 3.27Å; H301-F305 PolarHBondContact O-N 3.18Å |
| 302 | R | 98.5 | Very high | 97.7 | Very high | 97 Ų | 97 | 72 Ų | 72 | 37% | 0.366 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.2 | -50.4 | 171.6 | -178.5 | -177.4 | 171.9 | -176.9 | -0.8 | 111.6 | Y268 F298 Q299 K304 F305 E306 | Y268-R302 HydrophobicContact CD2-CB 3.87Å; Y268-R302 HydrophobicContact CD2-CG 4.32Å; Y268-R302 HydrophobicContact CE2-CB 3.79Å; Y268-R302 HydrophobicContact CE2-CG 3.86Å; F298-R302 VanDerWaalsContact O-CB 3.27Å; F298-R302 WeakPolarHBondContact O-CB 3.47Å; F298-R302 PolarHBondContact O-N 2.94Å; Q299-R302 PolarHBondContact O-N 3.1Å; R302-K304 VanDerWaalsContact C-N 3.31Å; R302-K304 PolarHBondContact O-N 3.47Å; R302-F305 PolarHBondContact O-N 3.01Å; R302-E306 HydrophobicContact CG-CG 4.44Å; R302-E306 IonicContact CZ-OE1 2.72Å; R302-E306 IonicContact NE-OE1 2.7Å; R302-E306 PolarHBondContact NE-OE1 3.32Å; R302-E306 IonicContact NH2-OE1 3.35Å; R302-E306 PolarHBondContact NH2-OE1 3.42Å; R302-E306 WeakPolarHBondContact O-CG 3.35Å; R302-E306 PolarHBondContact O-N 2.95Å |
| 303 | E | 98.6 | Very high | 97.8 | Very high | 86 Ų | 86 | 67.9 Ų | 67.9 | 40% | 0.402 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.4 | -39.1 | 178.2 | -73 | 171.4 | -164 | 0 | 0 | 112 | Q299 R307 | Q299-E303 PolarHBondContact NE2-OE1 3.33Å; Q299-E303 WeakPolarHBondContact O-CG 3.5Å; Q299-E303 PolarHBondContact O-N 3.42Å; E303-R307 VanDerWaalsContact O-CB 3.24Å; E303-R307 WeakPolarHBondContact O-CB 3.39Å; E303-R307 PolarHBondContact O-N 3.41Å |
| 304 | K | 98.3 | Very high | 98 | Very high | 76 Ų | 76 | 65.6 Ų | 65.6 | 33% | 0.33 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61 | -47.9 | 173.7 | -176.4 | -175.8 | 174.7 | -172.4 | 0 | 111.4 | A264 E267 I300 H301 R302 R307 M308 | A264-K304 HydrophobicContact CB-CD 4.5Å; A264-K304 HydrophobicContact CB-CG 4.28Å; E267-K304 IonicContact OE1-NZ 3.91Å; E267-K304 PolarHBondContact OE1-NZ 2.87Å; E267-K304 IonicContact OE2-NZ 3.67Å; E267-K304 PolarHBondContact OE2-NZ 3.21Å; I300-K304 WeakPolarHBondContact O-CB 3.36Å; I300-K304 PolarHBondContact O-N 3.29Å; H301-K304 PolarHBondContact O-N 2.98Å; R302-K304 VanDerWaalsContact C-N 3.31Å; R302-K304 PolarHBondContact O-N 3.47Å; K304-R307 PolarHBondContact O-N 3.43Å; K304-M308 WeakPolarHBondContact O-CG 3.49Å; K304-M308 PolarHBondContact O-N 2.84Å |
| 305 | F | 98.6 | Very high | 98.1 | Very high | 11 Ų | 11 | 68.3 Ų | 68.3 | 5% | 0.048 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.2 | -49.5 | 178.3 | 165.8 | -109.3 | 0 | 0 | 0 | 112.1 | T154 Y261 R265 Y268 H301 R302 R307 M308 R309 | T154-F305 HydrophobicContact CG2-CE1 4Å; T154-F305 HydrophobicContact CG2-CZ 3.64Å; Y261-F305 HydrophobicContact CD2-CD2 4.47Å; Y261-F305 HydrophobicContact CD2-CE2 4.27Å; Y261-F305 HydrophobicContact CE2-CD2 4.08Å; Y261-F305 AromaticContact CE2-CE2 3.46Å; Y261-F305 HydrophobicContact CE2-CE2 3.46Å; Y261-F305 VanDerWaalsContact CE2-CE2 3.46Å; Y261-F305 HydrophobicContact CE2-CZ 4.28Å; R265-F305 HydrophobicContact CB-CD2 3.86Å; R265-F305 HydrophobicContact CB-CE2 3.74Å; R265-F305 HydrophobicContact CG-CD2 4.37Å; R265-F305 HydrophobicContact CG-CE2 3.87Å; Y268-F305 HydrophobicContact CD1-CD1 4.05Å; Y268-F305 HydrophobicContact CD1-CE1 4.36Å; Y268-F305 HydrophobicContact CD1-CG 4.35Å; Y268-F305 HydrophobicContact CE1-CD1 4.43Å; Y268-F305 HydrophobicContact CG-CB 4.2Å; Y268-F305 HydrophobicContact CG-CD1 4.15Å; Y268-F305 HydrophobicContact CG-CG 4.22Å; H301-F305 WeakPolarHBondContact O-CB 3.27Å; H301-F305 PolarHBondContact O-N 3.18Å; R302-F305 PolarHBondContact O-N 3.01Å; F305-R307 VanDerWaalsContact C-N 3.3Å; F305-R307 PolarHBondContact O-N 3.27Å; F305-M308 PolarHBondContact O-N 2.64Å; F305-R309 WeakPolarHBondContact O-CB 3.48Å; F305-R309 PolarHBondContact O-N 3.1Å |
| 306 | E | 98.4 | Very high | 98.1 | Very high | 63 Ų | 63 | 63.5 Ų | 63.5 | 29% | 0.294 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.9 | -40.2 | 179.6 | -73 | 177.9 | -178.4 | 0 | 0 | 111.5 | R302 N310 | R302-E306 HydrophobicContact CG-CG 4.44Å; R302-E306 IonicContact CZ-OE1 2.72Å; R302-E306 IonicContact NE-OE1 2.7Å; R302-E306 PolarHBondContact NE-OE1 3.32Å; R302-E306 IonicContact NH2-OE1 3.35Å; R302-E306 PolarHBondContact NH2-OE1 3.42Å; R302-E306 WeakPolarHBondContact O-CG 3.35Å; R302-E306 PolarHBondContact O-N 2.95Å; E306-N310 VanDerWaalsContact O-CG 3.24Å; E306-N310 PolarHBondContact O-N 3.48Å; E306-N310 VanDerWaalsContact O-N 3.13Å; E306-N310 PolarHBondContact O-ND2 2.9Å |
| 307 | R | 98.3 | Very high | 98.1 | Very high | 135 Ų | 135 | 63.6 Ų | 63.6 | 51% | 0.509 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62 | -52.6 | 173.9 | -169.6 | -174.1 | -55.4 | 106.4 | 4.4 | 111.8 | E303 K304 F305 R309 N310 D311 | E303-R307 VanDerWaalsContact O-CB 3.24Å; E303-R307 WeakPolarHBondContact O-CB 3.39Å; E303-R307 PolarHBondContact O-N 3.41Å; K304-R307 PolarHBondContact O-N 3.43Å; F305-R307 VanDerWaalsContact C-N 3.3Å; F305-R307 PolarHBondContact O-N 3.27Å; R307-R309 VanDerWaalsContact C-N 3.28Å; R307-R309 PolarHBondContact O-N 2.92Å; R307-N310 PolarHBondContact O-N 2.83Å; R307-N310 VanDerWaalsContact O-N 3.17Å; R307-D311 VanDerWaalsContact O-CG 3.28Å; R307-D311 PolarHBondContact O-N 2.86Å |
| 308 | M | 98.2 | Very high | 98.1 | Very high | 26 Ų | 26 | 67.1 Ų | 67.1 | 13% | 0.128 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.7 | -37.4 | 179.7 | -72.5 | -58.4 | -52 | 0 | 0 | 112.5 | Q260 Y261 A264 K304 F305 D311 V312 | Q260-M308 HydrophobicContact CB-CE 3.45Å; Q260-M308 VanDerWaalsContact CB-CE 3.45Å; Y261-M308 HydrophobicContact CD2-CB 4.36Å; A264-M308 HydrophobicContact CB-CB 4.26Å; A264-M308 HydrophobicContact CB-CG 3.96Å; K304-M308 WeakPolarHBondContact O-CG 3.49Å; K304-M308 PolarHBondContact O-N 2.84Å; F305-M308 PolarHBondContact O-N 2.64Å; M308-D311 PolarHBondContact O-N 3.19Å; M308-V312 WeakPolarHBondContact O-CG2 3.29Å; M308-V312 PolarHBondContact O-N 3.45Å |
| 309 | R | 98.4 | Very high | 98.1 | Very high | 83 Ų | 83 | 66 Ų | 66 | 31% | 0.313 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 175.8 | -172.3 | -177.1 | 65.1 | 176.1 | -4 | 111.2 | D156 L159 Y261 F305 R307 V312 S313 | D156-R309 WeakPolarHBondContact OD2-CD 3.45Å; L159-R309 HydrophobicContact CD2-CG 3.87Å; Y261-R309 HydrophobicContact CD2-CB 4.04Å; Y261-R309 HydrophobicContact CE2-CB 3.69Å; Y261-R309 HydrophobicContact CE2-CG 3.85Å; F305-R309 WeakPolarHBondContact O-CB 3.48Å; F305-R309 PolarHBondContact O-N 3.1Å; R307-R309 VanDerWaalsContact C-N 3.28Å; R307-R309 PolarHBondContact O-N 2.92Å; R309-V312 PolarHBondContact O-N 3.13Å; R309-S313 WeakPolarHBondContact O-CB 3.45Å; R309-S313 PolarHBondContact O-N 3.35Å |
| 310 | N | 98.1 | Very high | 98.1 | Very high | 89 Ų | 89 | 66.5 Ų | 66.5 | 48% | 0.476 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 177.9 | -67.2 | -16.9 | 0 | 0 | 0 | 111.2 | E306 R307 V312 S313 V314 | E306-N310 VanDerWaalsContact O-CG 3.24Å; E306-N310 PolarHBondContact O-N 3.48Å; E306-N310 VanDerWaalsContact O-N 3.13Å; E306-N310 PolarHBondContact O-ND2 2.9Å; R307-N310 PolarHBondContact O-N 2.83Å; R307-N310 VanDerWaalsContact O-N 3.17Å; N310-V312 PolarHBondContact O-N 3.1Å; N310-S313 PolarHBondContact O-N 3.46Å; N310-V314 WeakPolarHBondContact O-CG2 3.39Å; N310-V314 PolarHBondContact O-N 3.34Å |
| 311 | D | 97.8 | Very high | 98 | Very high | 72 Ų | 72 | 67.1 Ų | 67.1 | 39% | 0.385 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 178.8 | -69.1 | -17.3 | 0 | 0 | 0 | 111.6 | R307 M308 V314 K315 | R307-D311 VanDerWaalsContact O-CG 3.28Å; R307-D311 PolarHBondContact O-N 2.86Å; M308-D311 PolarHBondContact O-N 3.19Å; D311-V314 PolarHBondContact O-N 3.34Å; D311-K315 WeakPolarHBondContact O-CB 3.49Å; D311-K315 WeakPolarHBondContact O-CG 3.37Å; D311-K315 PolarHBondContact O-N 2.82Å |
| 312 | V | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.7 | -44.4 | 176.2 | 172 | 0 | 0 | 0 | 0 | 111.4 | L159 N257 I258 Y261 M308 R309 N310 V314 K315 L316 | L159-V312 HydrophobicContact CD1-CG1 4.1Å; L159-V312 HydrophobicContact CD2-CG1 4.4Å; N257-V312 HydrophobicContact CB-CG2 4.27Å; I258-V312 HydrophobicContact CG1-CG1 3.71Å; I258-V312 HydrophobicContact CG1-CG2 4.45Å; Y261-V312 HydrophobicContact CG-CG2 4.24Å; M308-V312 WeakPolarHBondContact O-CG2 3.29Å; M308-V312 PolarHBondContact O-N 3.45Å; R309-V312 PolarHBondContact O-N 3.13Å; N310-V312 PolarHBondContact O-N 3.1Å; V312-V314 VanDerWaalsContact C-N 3.32Å; V312-V314 PolarHBondContact O-N 2.6Å; V312-K315 PolarHBondContact O-N 3.35Å; V312-L316 HydrophobicContact CG1-CD1 3.85Å; V312-L316 HydrophobicContact CG1-CG 4.27Å; V312-L316 WeakPolarHBondContact O-CB 3.46Å; V312-L316 WeakPolarHBondContact O-CG 3.39Å; V312-L316 PolarHBondContact O-N 3.5Å |
| 313 | S | 98.2 | Very high | 97.8 | Very high | 34 Ų | 34 | 65.9 Ų | 65.9 | 24% | 0.238 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.2 | -44.2 | 177.8 | -176.1 | 0 | 0 | 0 | 0 | 112 | R309 N310 K317 | R309-S313 WeakPolarHBondContact O-CB 3.45Å; R309-S313 PolarHBondContact O-N 3.35Å; N310-S313 PolarHBondContact O-N 3.46Å; S313-K317 WeakPolarHBondContact O-CG 3.29Å; S313-K317 PolarHBondContact O-N 3.31Å |
| 314 | V | 97.9 | Very high | 97.8 | Very high | 73 Ų | 73 | 65.5 Ų | 65.5 | 44% | 0.442 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.9 | -44.5 | 177.4 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | N310 D311 V312 L316 K317 F318 | N310-V314 WeakPolarHBondContact O-CG2 3.39Å; N310-V314 PolarHBondContact O-N 3.34Å; D311-V314 PolarHBondContact O-N 3.34Å; V312-V314 VanDerWaalsContact C-N 3.32Å; V312-V314 PolarHBondContact O-N 2.6Å; V314-L316 VanDerWaalsContact C-N 3.33Å; V314-L316 PolarHBondContact O-N 2.57Å; V314-K317 PolarHBondContact O-N 3.33Å; V314-F318 HydrophobicContact CG1-CD2 3.66Å; V314-F318 HydrophobicContact CG1-CE2 3.36Å; V314-F318 VanDerWaalsContact O-CD2 3.26Å; V314-F318 WeakPolarHBondContact O-CD2 3.38Å; V314-F318 PolarHBondContact O-N 3.04Å; V314-F318 VanDerWaalsContact O-N 3.14Å |
| 315 | K | 97.8 | Very high | 97.7 | Very high | 68 Ų | 68 | 68.3 Ų | 68.3 | 30% | 0.296 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.9 | -40.2 | 177.8 | -79.4 | -171.5 | 176.3 | -161.8 | 0 | 112.7 | D253 T254 N257 D311 V312 K317 F318 L319 | D253-K315 IonicContact OD2-NZ 2.6Å; T254-K315 HydrophobicContact CG2-CB 4.47Å; N257-K315 HydrophobicContact CB-CD 4.07Å; N257-K315 PolarHBondContact ND2-NZ 3.34Å; N257-K315 PolarHBondContact OD1-NZ 2.84Å; D311-K315 WeakPolarHBondContact O-CB 3.49Å; D311-K315 WeakPolarHBondContact O-CG 3.37Å; D311-K315 PolarHBondContact O-N 2.82Å; V312-K315 PolarHBondContact O-N 3.35Å; K315-K317 VanDerWaalsContact C-N 3.31Å; K315-K317 PolarHBondContact O-N 2.99Å; K315-F318 PolarHBondContact O-N 2.93Å; K315-L319 VanDerWaalsContact O-CB 3.29Å; K315-L319 WeakPolarHBondContact O-CB 3.41Å; K315-L319 PolarHBondContact O-N 3.29Å |
| 316 | L | 98.4 | Very high | 97.6 | Very high | 15 Ų | 15 | 69.6 Ų | 69.6 | 8% | 0.079 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.5 | -40.1 | 176.3 | -76 | 168.7 | 0 | 0 | 0 | 112 | L159 Q162 I163 L166 T254 I258 V312 V314 L319 E320 | L159-L316 HydrophobicContact CD1-CD1 3.62Å; Q162-L316 HydrophobicContact CB-CD1 4.05Å; I163-L316 HydrophobicContact CG1-CD1 4.22Å; L166-L316 HydrophobicContact CB-CD2 4.41Å; L166-L316 HydrophobicContact CD2-CD2 3.69Å; T254-L316 HydrophobicContact CG2-CD2 3.96Å; T254-L316 HydrophobicContact CG2-CG 4.39Å; I258-L316 HydrophobicContact CD1-CD2 4.44Å; V312-L316 HydrophobicContact CG1-CD1 3.85Å; V312-L316 HydrophobicContact CG1-CG 4.27Å; V312-L316 WeakPolarHBondContact O-CB 3.46Å; V312-L316 WeakPolarHBondContact O-CG 3.39Å; V312-L316 PolarHBondContact O-N 3.5Å; V314-L316 VanDerWaalsContact C-N 3.33Å; V314-L316 PolarHBondContact O-N 2.57Å; L316-L319 PolarHBondContact O-N 2.64Å; L316-E320 WeakPolarHBondContact O-CB 3.38Å; L316-E320 PolarHBondContact O-N 2.86Å |
| 317 | K | 97 | Very high | 97.5 | Very high | 128 Ų | 128 | 67.6 Ų | 67.6 | 56% | 0.557 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.8 | -47.9 | 175.7 | -68 | 174.4 | -176.7 | 176.6 | 0 | 112 | S313 V314 K315 L319 E320 E321 | S313-K317 WeakPolarHBondContact O-CG 3.29Å; S313-K317 PolarHBondContact O-N 3.31Å; V314-K317 PolarHBondContact O-N 3.33Å; K315-K317 VanDerWaalsContact C-N 3.31Å; K315-K317 PolarHBondContact O-N 2.99Å; K317-L319 VanDerWaalsContact C-N 3.31Å; K317-L319 PolarHBondContact O-N 3.38Å; K317-E320 PolarHBondContact O-N 3.02Å; K317-E321 PolarHBondContact O-N 3.18Å |
| 318 | F | 97.3 | Very high | 97.5 | Very high | 136 Ų | 136 | 67.1 Ų | 67.1 | 60% | 0.596 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.2 | -39.8 | 176.4 | -77.4 | -64.5 | 0 | 0 | 0 | 112.6 | V314 K315 E320 E321 N322 | V314-F318 HydrophobicContact CG1-CD2 3.66Å; V314-F318 HydrophobicContact CG1-CE2 3.36Å; V314-F318 VanDerWaalsContact O-CD2 3.26Å; V314-F318 WeakPolarHBondContact O-CD2 3.38Å; V314-F318 PolarHBondContact O-N 3.04Å; V314-F318 VanDerWaalsContact O-N 3.14Å; K315-F318 PolarHBondContact O-N 2.93Å; F318-E320 VanDerWaalsContact C-N 3.35Å; F318-E321 PolarHBondContact O-N 3.39Å; F318-N322 WeakPolarHBondContact O-CB 3.41Å; F318-N322 PolarHBondContact O-N 2.87Å |
| 319 | L | 98.1 | Very high | 97.5 | Very high | 9 Ų | 9 | 69.8 Ų | 69.8 | 5% | 0.047 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 176.6 | 178.4 | 66.5 | 0 | 0 | 0 | 111.1 | L166 T250 I251 T254 K315 L316 K317 E321 N322 K323 | L166-L319 HydrophobicContact CD1-CD2 3.47Å; L166-L319 VanDerWaalsContact CD1-CD2 3.47Å; L166-L319 HydrophobicContact CD2-CD2 3.84Å; L166-L319 HydrophobicContact CG-CD2 4.31Å; T250-L319 HydrophobicContact CG2-CD1 3.64Å; I251-L319 HydrophobicContact CG1-CD1 3.99Å; I251-L319 HydrophobicContact CG1-CD2 4.25Å; T254-L319 HydrophobicContact CG2-CD2 3.92Å; K315-L319 VanDerWaalsContact O-CB 3.29Å; K315-L319 WeakPolarHBondContact O-CB 3.41Å; K315-L319 PolarHBondContact O-N 3.29Å; L316-L319 PolarHBondContact O-N 2.64Å; K317-L319 VanDerWaalsContact C-N 3.31Å; K317-L319 PolarHBondContact O-N 3.38Å; L319-E321 PolarHBondContact O-N 2.91Å; L319-N322 PolarHBondContact O-N 3.23Å; L319-K323 WeakPolarHBondContact O-CB 3.48Å; L319-K323 PolarHBondContact O-N 3.22Å |
| 320 | E | 96.9 | Very high | 97.4 | Very high | 84 Ų | 84 | 66.4 Ų | 66.4 | 39% | 0.393 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 178.9 | -176.2 | 57.1 | -154 | 0 | 0 | 111.4 | L316 K317 F318 K323 V324 | L316-E320 WeakPolarHBondContact O-CB 3.38Å; L316-E320 PolarHBondContact O-N 2.86Å; K317-E320 PolarHBondContact O-N 3.02Å; F318-E320 VanDerWaalsContact C-N 3.35Å; E320-K323 PolarHBondContact O-N 2.91Å; E320-K323 VanDerWaalsContact OE1-CE 3.29Å; E320-K323 WeakPolarHBondContact OE1-CE 3.4Å; E320-K323 IonicContact OE1-NZ 3.69Å; E320-K323 PolarHBondContact OE1-NZ 2.99Å; E320-K323 VanDerWaalsContact OE2-CE 3.27Å; E320-K323 WeakPolarHBondContact OE2-CE 2.92Å; E320-K323 IonicContact OE2-NZ 3.53Å; E320-K323 PolarHBondContact OE2-NZ 3.38Å; E320-V324 WeakPolarHBondContact O-CG2 3.28Å; E320-V324 PolarHBondContact O-N 3.41Å |
| 321 | E | 95.9 | Very high | 97.4 | Very high | 107 Ų | 107 | 66.8 Ų | 66.8 | 50% | 0.5 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 175.1 | -69.6 | -174.6 | -161.4 | 0 | 0 | 112.7 | K317 F318 L319 V324 K325 | K317-E321 PolarHBondContact O-N 3.18Å; F318-E321 PolarHBondContact O-N 3.39Å; L319-E321 PolarHBondContact O-N 2.91Å; E321-V324 PolarHBondContact O-N 2.88Å; E321-K325 VanDerWaalsContact O-CG 3.29Å; E321-K325 WeakPolarHBondContact O-CG 3.39Å; E321-K325 PolarHBondContact O-N 3.49Å; E321-K325 VanDerWaalsContact O-N 3.1Å; E321-K325 IonicContact OE2-NZ 3.77Å |
| 322 | N | 95.5 | Very high | 97.4 | Very high | 64 Ų | 64 | 66.8 Ų | 66.8 | 34% | 0.342 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 178.9 | -179.2 | -95.6 | 0 | 0 | 0 | 111.3 | F318 L319 V324 K325 V326 | F318-N322 WeakPolarHBondContact O-CB 3.41Å; F318-N322 PolarHBondContact O-N 2.87Å; L319-N322 PolarHBondContact O-N 3.23Å; N322-V324 PolarHBondContact O-N 2.91Å; N322-K325 PolarHBondContact O-N 3.25Å; N322-V326 WeakPolarHBondContact O-CG2 3.32Å; N322-V326 PolarHBondContact O-N 3.46Å |
| 323 | K | 97.4 | Very high | 97.4 | Very high | 24 Ų | 24 | 70.4 Ų | 70.4 | 10% | 0.104 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.2 | -50.3 | 177.3 | -177.8 | -153.1 | 81.3 | 177.4 | 0 | 111 | Y173 L246 L319 E320 K325 V326 L327 | Y173-K323 HydrophobicContact CE2-CD 4.03Å; Y173-K323 HydrophobicContact CE2-CG 4.07Å; Y173-K323 WeakPolarHBondContact OH-CD 3.25Å; L246-K323 HydrophobicContact CD1-CB 4.39Å; L246-K323 HydrophobicContact CD2-CG 4.21Å; L319-K323 WeakPolarHBondContact O-CB 3.48Å; L319-K323 PolarHBondContact O-N 3.22Å; E320-K323 PolarHBondContact O-N 2.91Å; E320-K323 VanDerWaalsContact OE1-CE 3.29Å; E320-K323 WeakPolarHBondContact OE1-CE 3.4Å; E320-K323 IonicContact OE1-NZ 3.69Å; E320-K323 PolarHBondContact OE1-NZ 2.99Å; E320-K323 VanDerWaalsContact OE2-CE 3.27Å; E320-K323 WeakPolarHBondContact OE2-CE 2.92Å; E320-K323 IonicContact OE2-NZ 3.53Å; E320-K323 PolarHBondContact OE2-NZ 3.38Å; K323-K325 PolarHBondContact O-N 3.26Å; K323-V326 PolarHBondContact O-N 3.4Å; K323-L327 HydrophobicContact CG-CD1 3.85Å; K323-L327 WeakPolarHBondContact O-CB 3.37Å; K323-L327 WeakPolarHBondContact O-CG 3.49Å; K323-L327 PolarHBondContact O-N 3.17Å |
| 324 | V | 97.8 | Very high | 97.3 | Very high | 79 Ų | 79 | 70.9 Ų | 70.9 | 48% | 0.479 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 178.5 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | E320 E321 N322 H328 | E320-V324 WeakPolarHBondContact O-CG2 3.28Å; E320-V324 PolarHBondContact O-N 3.41Å; E321-V324 PolarHBondContact O-N 2.88Å; N322-V324 PolarHBondContact O-N 2.91Å; V324-H328 WeakPolarHBondContact O-CB 3.13Å; V324-H328 PolarHBondContact O-N 3.49Å |
| 325 | K | 96.7 | Very high | 97.3 | Very high | 135 Ų | 135 | 73.2 Ų | 73.2 | 59% | 0.587 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.6 | -49.2 | 179.3 | -72.2 | 167.4 | -176.4 | 164.2 | 0 | 112.2 | E321 N322 K323 N329 | E321-K325 VanDerWaalsContact O-CG 3.29Å; E321-K325 WeakPolarHBondContact O-CG 3.39Å; E321-K325 PolarHBondContact O-N 3.49Å; E321-K325 VanDerWaalsContact O-N 3.1Å; E321-K325 IonicContact OE2-NZ 3.77Å; N322-K325 PolarHBondContact O-N 3.25Å; K323-K325 PolarHBondContact O-N 3.26Å; K325-N329 PolarHBondContact O-N 2.96Å |
| 326 | V | 96.6 | Very high | 97.3 | Very high | 37 Ų | 37 | 74.1 Ų | 74.1 | 22% | 0.224 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.8 | -52.1 | 180 | 173 | 0 | 0 | 0 | 0 | 110.2 | L246 N322 K323 H328 N329 Q330 | L246-V326 HydrophobicContact CB-CG1 4.35Å; L246-V326 HydrophobicContact CD2-CB 4.44Å; L246-V326 HydrophobicContact CD2-CG1 4.22Å; N322-V326 WeakPolarHBondContact O-CG2 3.32Å; N322-V326 PolarHBondContact O-N 3.46Å; K323-V326 PolarHBondContact O-N 3.4Å; V326-H328 PolarHBondContact O-N 2.92Å; V326-N329 PolarHBondContact O-N 3.03Å; V326-Q330 HydrophobicContact CG1-CG 4.09Å; V326-Q330 WeakPolarHBondContact O-CB 3.46Å; V326-Q330 VanDerWaalsContact O-CG 3.26Å; V326-Q330 WeakPolarHBondContact O-CG 3.34Å; V326-Q330 PolarHBondContact O-N 3.32Å |
| 327 | L | 97.5 | Very high | 97.2 | Very high | 21 Ų | 21 | 74.4 Ų | 74.4 | 11% | 0.11 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.2 | -39 | -176.6 | -70.1 | 176.9 | 0 | 0 | 0 | 112.4 | Y173 V243 L246 K323 N329 Q330 L331 | Y173-L327 HydrophobicContact CE1-CD1 3.77Å; Y173-L327 HydrophobicContact CE2-CD1 3.95Å; Y173-L327 VanDerWaalsContact CZ-CD1 3.42Å; Y173-L327 VanDerWaalsContact OH-CD1 3.31Å; Y173-L327 WeakPolarHBondContact OH-CD1 3.45Å; V243-L327 HydrophobicContact CG2-CD2 4.35Å; L246-L327 HydrophobicContact CD2-CD1 4.28Å; L246-L327 HydrophobicContact CD2-CD2 3.89Å; L246-L327 HydrophobicContact CD2-CG 3.8Å; K323-L327 HydrophobicContact CG-CD1 3.85Å; K323-L327 WeakPolarHBondContact O-CB 3.37Å; K323-L327 WeakPolarHBondContact O-CG 3.49Å; K323-L327 PolarHBondContact O-N 3.17Å; L327-N329 VanDerWaalsContact C-N 3.34Å; L327-N329 PolarHBondContact O-N 3.26Å; L327-Q330 PolarHBondContact O-N 3.46Å; L327-L331 HydrophobicContact CB-CD1 4.33Å; L327-L331 WeakPolarHBondContact O-CB 3.49Å; L327-L331 WeakPolarHBondContact O-CD1 3.49Å; L327-L331 WeakPolarHBondContact O-CG 3.33Å; L327-L331 PolarHBondContact O-N 3.27Å |
| 328 | H | 97.8 | Very high | 97.2 | Very high | 125 Ų | 125 | 70.7 Ų | 70.7 | 58% | 0.579 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -55.5 | -50.7 | 175.6 | 178.5 | 76.4 | 0 | 0 | 0 | 111.3 | V324 V326 I332 | V324-H328 WeakPolarHBondContact O-CB 3.13Å; V324-H328 PolarHBondContact O-N 3.49Å; V326-H328 PolarHBondContact O-N 2.92Å; H328-I332 VanDerWaalsContact CE1-CD1 3.41Å; H328-I332 WeakPolarHBondContact CE1-CD1 3.33Å; H328-I332 WeakPolarHBondContact NE2-CD1 3.37Å; H328-I332 WeakPolarHBondContact O-CG1 3.16Å; H328-I332 PolarHBondContact O-N 3.2Å |
| 329 | N | 96.8 | Very high | 97.1 | Very high | 82 Ų | 82 | 66.3 Ų | 66.3 | 44% | 0.439 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.4 | -47.8 | 179.3 | -173.4 | 57.4 | 0 | 0 | 0 | 112 | K325 V326 L327 L331 I332 L333 | K325-N329 PolarHBondContact O-N 2.96Å; V326-N329 PolarHBondContact O-N 3.03Å; L327-N329 VanDerWaalsContact C-N 3.34Å; L327-N329 PolarHBondContact O-N 3.26Å; N329-L331 PolarHBondContact O-N 3.14Å; N329-I332 PolarHBondContact O-N 2.9Å; N329-L333 WeakPolarHBondContact O-CG 3.43Å; N329-L333 PolarHBondContact O-N 3.39Å |
| 330 | Q | 97.8 | Very high | 97 | Very high | 13 Ų | 13 | 68.9 Ų | 68.9 | 6% | 0.061 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.5 | -38.6 | -175.7 | -64.5 | -53.9 | -35.8 | 0 | 0 | 112.7 | F239 S242 V326 L327 L333 F334 | F239-Q330 HydrophobicContact CD2-CB 3.85Å; F239-Q330 WeakPolarHBondContact CD2-O 3.39Å; F239-Q330 HydrophobicContact CE2-CB 4.07Å; S242-Q330 PolarHBondContact OG-NE2 2.9Å; S242-Q330 PolarHBondContact OG-OE1 3.36Å; V326-Q330 HydrophobicContact CG1-CG 4.09Å; V326-Q330 WeakPolarHBondContact O-CB 3.46Å; V326-Q330 VanDerWaalsContact O-CG 3.26Å; V326-Q330 WeakPolarHBondContact O-CG 3.34Å; V326-Q330 PolarHBondContact O-N 3.32Å; L327-Q330 PolarHBondContact O-N 3.46Å; Q330-L333 PolarHBondContact O-N 2.96Å; Q330-F334 VanDerWaalsContact O-CB 3.27Å; Q330-F334 WeakPolarHBondContact O-CB 3.26Å; Q330-F334 PolarHBondContact O-N 2.93Å |
| 331 | L | 97.9 | Very high | 96.9 | Very high | 96 Ų | 96 | 66.1 Ų | 66.1 | 50% | 0.503 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.8 | -39.9 | 177.3 | -70.2 | 170.1 | 0 | 0 | 0 | 111.8 | F239 L327 N329 H335 | F239-L331 HydrophobicContact CE2-CD2 4.18Å; F239-L331 HydrophobicContact CZ-CD2 4.44Å; L327-L331 HydrophobicContact CB-CD1 4.33Å; L327-L331 WeakPolarHBondContact O-CB 3.49Å; L327-L331 WeakPolarHBondContact O-CD1 3.49Å; L327-L331 WeakPolarHBondContact O-CG 3.33Å; L327-L331 PolarHBondContact O-N 3.27Å; N329-L331 PolarHBondContact O-N 3.14Å; L331-H335 WeakPolarHBondContact O-CB 3.39Å; L331-H335 PolarHBondContact O-N 2.91Å |
| 332 | I | 97.8 | Very high | 96.9 | Very high | 73 Ų | 73 | 68.3 Ų | 68.3 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.4 | -47.1 | 176.2 | -70.2 | 171.3 | 0 | 0 | 0 | 110.8 | H328 N329 F334 H335 N336 | H328-I332 VanDerWaalsContact CE1-CD1 3.41Å; H328-I332 WeakPolarHBondContact CE1-CD1 3.33Å; H328-I332 WeakPolarHBondContact NE2-CD1 3.37Å; H328-I332 WeakPolarHBondContact O-CG1 3.16Å; H328-I332 PolarHBondContact O-N 3.2Å; N329-I332 PolarHBondContact O-N 2.9Å; I332-F334 VanDerWaalsContact C-N 3.31Å; I332-F334 PolarHBondContact O-N 2.94Å; I332-H335 PolarHBondContact O-N 2.81Å; I332-N336 WeakPolarHBondContact O-CB 3.33Å; I332-N336 VanDerWaalsContact O-CG 3.23Å; I332-N336 PolarHBondContact O-N 3.24Å |
| 333 | L | 97.1 | Very high | 96.8 | Very high | 75 Ų | 75 | 67.4 Ų | 67.4 | 39% | 0.393 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 178.6 | -71 | 175.2 | 0 | 0 | 0 | 111.8 | F238 N329 Q330 N336 A337 | F238-L333 HydrophobicContact CE1-CD1 4Å; N329-L333 WeakPolarHBondContact O-CG 3.43Å; N329-L333 PolarHBondContact O-N 3.39Å; Q330-L333 PolarHBondContact O-N 2.96Å; L333-N336 PolarHBondContact O-N 3.42Å; L333-A337 WeakPolarHBondContact O-CB 3.45Å; L333-A337 PolarHBondContact O-N 3.46Å |
| 334 | F | 97.6 | Very high | 96.4 | Very high | 44 Ų | 44 | 67.7 Ų | 67.7 | 19% | 0.193 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.8 | -48.2 | 176.4 | -175.7 | -97.3 | 0 | 0 | 0 | 111.8 | L183 I236 F239 Q330 I332 A337 I338 | L183-F334 HydrophobicContact CD2-CZ 4.21Å; I236-F334 HydrophobicContact CB-CE2 4.4Å; I236-F334 HydrophobicContact CG1-CD2 4.48Å; I236-F334 HydrophobicContact CG1-CE2 3.86Å; I236-F334 HydrophobicContact CG2-CE2 4.28Å; F239-F334 HydrophobicContact CB-CB 4.47Å; F239-F334 HydrophobicContact CB-CD2 3.81Å; F239-F334 AromaticContact CD1-CD2 3.9Å; F239-F334 HydrophobicContact CD1-CD2 3.9Å; F239-F334 HydrophobicContact CD1-CE2 4.16Å; F239-F334 HydrophobicContact CD2-CB 3.77Å; F239-F334 HydrophobicContact CD2-CD2 4.09Å; F239-F334 HydrophobicContact CD2-CG 4.13Å; F239-F334 HydrophobicContact CE2-CB 4.26Å; F239-F334 HydrophobicContact CE2-CG 4.49Å; F239-F334 HydrophobicContact CG-CB 4.19Å; F239-F334 AromaticContact CG-CD2 3.66Å; F239-F334 HydrophobicContact CG-CD2 3.66Å; F239-F334 HydrophobicContact CG-CE2 4.37Å; F239-F334 HydrophobicContact CG-CG 4.18Å; Q330-F334 VanDerWaalsContact O-CB 3.27Å; Q330-F334 WeakPolarHBondContact O-CB 3.26Å; Q330-F334 PolarHBondContact O-N 2.93Å; I332-F334 VanDerWaalsContact C-N 3.31Å; I332-F334 PolarHBondContact O-N 2.94Å; F334-A337 PolarHBondContact O-N 3.33Å; F334-I338 HydrophobicContact CD1-CD1 3.82Å; F334-I338 HydrophobicContact CE1-CD1 3.29Å; F334-I338 HydrophobicContact CE1-CG1 4.44Å; F334-I338 HydrophobicContact CE2-CD1 4.45Å; F334-I338 HydrophobicContact CZ-CD1 3.66Å; F334-I338 WeakPolarHBondContact O-CG1 3.38Å; F334-I338 PolarHBondContact O-N 2.87Å; F334-I338 VanDerWaalsContact O-N 3.13Å |
| 335 | H | 97.6 | Very high | 96.1 | Very high | 123 Ų | 123 | 64.6 Ų | 64.6 | 57% | 0.569 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.1 | -48.2 | 177 | 175.2 | 74.5 | 0 | 0 | 0 | 112.1 | L331 I332 A337 I338 A339 | L331-H335 WeakPolarHBondContact O-CB 3.39Å; L331-H335 PolarHBondContact O-N 2.91Å; I332-H335 PolarHBondContact O-N 2.81Å; H335-A337 VanDerWaalsContact C-N 3.3Å; H335-A337 PolarHBondContact O-N 2.96Å; H335-I338 PolarHBondContact O-N 3.22Å; H335-A339 WeakPolarHBondContact O-CB 3.43Å; H335-A339 PolarHBondContact O-N 3.49Å |
| 336 | N | 97.1 | Very high | 95.8 | Very high | 86 Ų | 86 | 63.5 Ų | 63.5 | 46% | 0.46 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.7 | -39.2 | -179.4 | -72.4 | -9.7 | 0 | 0 | 0 | 111.8 | I332 L333 A339 A340 | I332-N336 WeakPolarHBondContact O-CB 3.33Å; I332-N336 VanDerWaalsContact O-CG 3.23Å; I332-N336 PolarHBondContact O-N 3.24Å; L333-N336 PolarHBondContact O-N 3.42Å; N336-A339 PolarHBondContact O-N 3.05Å; N336-A340 WeakPolarHBondContact O-CB 3.28Å; N336-A340 PolarHBondContact O-N 3.49Å |
| 337 | A | 96.8 | Very high | 95.3 | Very high | 21 Ų | 21 | 68 Ų | 68 | 17% | 0.174 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L232 A235 L333 F334 H335 Y341 | L232-A337 HydrophobicContact CD1-CB 4.24Å; A235-A337 HydrophobicContact CB-CB 3.35Å; L333-A337 WeakPolarHBondContact O-CB 3.45Å; L333-A337 PolarHBondContact O-N 3.46Å; F334-A337 PolarHBondContact O-N 3.33Å; H335-A337 VanDerWaalsContact C-N 3.3Å; H335-A337 PolarHBondContact O-N 2.96Å; A337-Y341 WeakPolarHBondContact O-CB 3.39Å; A337-Y341 PolarHBondContact O-N 2.68Å |
| 338 | I | 96.4 | Very high | 94.5 | Very high | 50 Ų | 50 | 70.4 Ų | 70.4 | 26% | 0.256 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.1 | -50.6 | 175.2 | -71.3 | 177.7 | 0 | 0 | 0 | 110.5 | L232 F334 H335 A340 Y341 Y342 | L232-I338 HydrophobicContact CD1-CG1 3.95Å; F334-I338 HydrophobicContact CD1-CD1 3.82Å; F334-I338 HydrophobicContact CE1-CD1 3.29Å; F334-I338 HydrophobicContact CE1-CG1 4.44Å; F334-I338 HydrophobicContact CE2-CD1 4.45Å; F334-I338 HydrophobicContact CZ-CD1 3.66Å; F334-I338 WeakPolarHBondContact O-CG1 3.38Å; F334-I338 PolarHBondContact O-N 2.87Å; F334-I338 VanDerWaalsContact O-N 3.13Å; H335-I338 PolarHBondContact O-N 3.22Å; I338-A340 VanDerWaalsContact C-N 3.34Å; I338-A340 PolarHBondContact O-N 3.27Å; I338-Y341 PolarHBondContact O-N 2.99Å; I338-Y342 HydrophobicContact CG2-CD2 3.85Å; I338-Y342 HydrophobicContact CG2-CE2 3.84Å; I338-Y342 VanDerWaalsContact O-CD2 3.26Å; I338-Y342 WeakPolarHBondContact O-CD2 3.31Å; I338-Y342 PolarHBondContact O-N 3.13Å; I338-Y342 VanDerWaalsContact O-N 3.16Å |
| 339 | A | 96.8 | Very high | 93.7 | Very high | 44 Ų | 44 | 68.5 Ų | 68.5 | 36% | 0.364 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.8 | -44.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | H335 N336 Y341 Y342 A343 | H335-A339 WeakPolarHBondContact O-CB 3.43Å; H335-A339 PolarHBondContact O-N 3.49Å; N336-A339 PolarHBondContact O-N 3.05Å; A339-Y341 PolarHBondContact O-N 3.39Å; A339-Y342 PolarHBondContact O-N 2.88Å; A339-A343 VanDerWaalsContact O-CB 3.22Å; A339-A343 WeakPolarHBondContact O-CB 3.4Å; A339-A343 PolarHBondContact O-N 3.5Å |
| 340 | A | 94.8 | Very high | 93 | Very high | 63 Ų | 63 | 68.7 Ų | 68.7 | 52% | 0.521 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N336 I338 G344 | N336-A340 WeakPolarHBondContact O-CB 3.28Å; N336-A340 PolarHBondContact O-N 3.49Å; I338-A340 VanDerWaalsContact C-N 3.34Å; I338-A340 PolarHBondContact O-N 3.27Å; A340-G344 PolarHBondContact O-N 3.2Å |
| 341 | Y | 95.6 | Very high | 92.1 | Very high | 26 Ų | 26 | 72.9 Ų | 72.9 | 10% | 0.102 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.1 | -51.5 | 176.2 | 175.4 | -102.8 | 0 | 0 | 0 | 111.5 | N228 L232 A337 I338 A339 N345 | N228-Y341 HydrophobicContact CB-CD2 4.17Å; N228-Y341 HydrophobicContact CB-CE2 4.05Å; L232-Y341 HydrophobicContact CB-CD2 3.98Å; L232-Y341 HydrophobicContact CB-CG 4.13Å; L232-Y341 HydrophobicContact CD2-CD1 3.63Å; L232-Y341 HydrophobicContact CD2-CD2 4.06Å; L232-Y341 HydrophobicContact CD2-CE1 4.1Å; L232-Y341 HydrophobicContact CD2-CG 3.6Å; L232-Y341 HydrophobicContact CG-CG 4.4Å; A337-Y341 WeakPolarHBondContact O-CB 3.39Å; A337-Y341 PolarHBondContact O-N 2.68Å; I338-Y341 PolarHBondContact O-N 2.99Å; A339-Y341 PolarHBondContact O-N 3.39Å; Y341-N345 WeakPolarHBondContact CE1-ND2 3.38Å; Y341-N345 WeakPolarHBondContact CE2-ND2 3.45Å; Y341-N345 WeakPolarHBondContact O-CB 3.42Å; Y341-N345 PolarHBondContact O-N 3.44Å; Y341-N345 VanDerWaalsContact O-N 3.07Å; Y341-N345 PolarHBondContact O-ND2 3.48Å; Y341-N345 VanDerWaalsContact O-ND2 3.09Å |
| 342 | Y | 94.8 | Very high | 90.9 | Very high | 153 Ų | 153 | 69.3 Ų | 69.3 | 60% | 0.6 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -69.4 | -42.5 | -178.6 | -73.4 | -70.1 | 0 | 0 | 0 | 112.6 | I338 A339 N345 Q346 | I338-Y342 HydrophobicContact CG2-CD2 3.85Å; I338-Y342 HydrophobicContact CG2-CE2 3.84Å; I338-Y342 VanDerWaalsContact O-CD2 3.26Å; I338-Y342 WeakPolarHBondContact O-CD2 3.31Å; I338-Y342 PolarHBondContact O-N 3.13Å; I338-Y342 VanDerWaalsContact O-N 3.16Å; A339-Y342 PolarHBondContact O-N 2.88Å; Y342-N345 PolarHBondContact O-N 3.08Å; Y342-Q346 WeakPolarHBondContact O-CB 3.45Å; Y342-Q346 PolarHBondContact O-N 3.46Å |
| 343 | A | 93.1 | Very high | 89.6 | Confident | 45 Ų | 45 | 69.8 Ų | 69.8 | 37% | 0.372 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A339 N345 Q346 Q347 | A339-A343 VanDerWaalsContact O-CB 3.22Å; A339-A343 WeakPolarHBondContact O-CB 3.4Å; A339-A343 PolarHBondContact O-N 3.5Å; A343-N345 VanDerWaalsContact C-N 3.33Å; A343-N345 PolarHBondContact O-N 3.49Å; A343-Q346 PolarHBondContact O-N 3.33Å; A343-Q347 WeakPolarHBondContact O-CG 3.42Å; A343-Q347 PolarHBondContact O-N 3.48Å; A343-Q347 VanDerWaalsContact O-N 3.09Å |
| 344 | G | 90.6 | Very high | 88.3 | Confident | 30 Ų | 30 | 72.5 Ų | 72.5 | 31% | 0.309 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A340 Q348 | A340-G344 PolarHBondContact O-N 3.2Å; G344-Q348 PolarHBondContact O-N 3.3Å |
| 345 | N | 91.3 | Very high | 86.7 | Confident | 14 Ų | 14 | 75.2 Ų | 75.2 | 8% | 0.075 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -69.2 | -39.1 | 175.6 | -70.4 | -24.8 | 0 | 0 | 0 | 112.5 | L225 N228 Y341 Y342 A343 Q348 L349 | L225-N345 HydrophobicContact CD2-CB 3.89Å; L225-N345 VanDerWaalsContact CD2-CG 3.5Å; N228-N345 WeakPolarHBondContact CB-OD1 3.1Å; N228-N345 PolarHBondContact ND2-OD1 3.33Å; Y341-N345 WeakPolarHBondContact CE1-ND2 3.38Å; Y341-N345 WeakPolarHBondContact CE2-ND2 3.45Å; Y341-N345 WeakPolarHBondContact O-CB 3.42Å; Y341-N345 PolarHBondContact O-N 3.44Å; Y341-N345 VanDerWaalsContact O-N 3.07Å; Y341-N345 PolarHBondContact O-ND2 3.48Å; Y341-N345 VanDerWaalsContact O-ND2 3.09Å; Y342-N345 PolarHBondContact O-N 3.08Å; A343-N345 VanDerWaalsContact C-N 3.33Å; A343-N345 PolarHBondContact O-N 3.49Å; N345-Q348 PolarHBondContact O-N 2.87Å; N345-L349 WeakPolarHBondContact O-CB 3.44Å; N345-L349 PolarHBondContact O-N 2.96Å |
| 346 | Q | 90.6 | Very high | 85.1 | Confident | 113 Ų | 113 | 71.9 Ų | 71.9 | 53% | 0.528 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.3 | -49.7 | 177.2 | 179.9 | -176.4 | -11.6 | 0 | 0 | 111.5 | Y342 A343 Q348 L349 E350 | Y342-Q346 WeakPolarHBondContact O-CB 3.45Å; Y342-Q346 PolarHBondContact O-N 3.46Å; A343-Q346 PolarHBondContact O-N 3.33Å; Q346-Q348 VanDerWaalsContact C-N 3.26Å; Q346-Q348 PolarHBondContact O-N 3.03Å; Q346-L349 PolarHBondContact O-N 3.33Å; Q346-E350 HydrophobicContact CG-CG 4.49Å; Q346-E350 PolarHBondContact NE2-OE1 3.07Å; Q346-E350 WeakPolarHBondContact O-CG 3.36Å; Q346-E350 PolarHBondContact O-N 3.4Å |
| 347 | Q | 84.8 | Confident | 83.2 | Confident | 130 Ų | 130 | 75 Ų | 75 | 61% | 0.607 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -58 | -41.7 | -179 | -72.2 | 178.7 | 2.9 | 0 | 0 | 111.8 | A343 Q351 | A343-Q347 WeakPolarHBondContact O-CG 3.42Å; A343-Q347 PolarHBondContact O-N 3.48Å; A343-Q347 VanDerWaalsContact O-N 3.09Å; Q347-Q351 WeakPolarHBondContact O-CG 3.43Å; Q347-Q351 PolarHBondContact O-N 3.28Å |
| 348 | Q | 81.6 | Confident | 81.1 | Confident | 73 Ų | 73 | 80.2 Ų | 80.2 | 34% | 0.341 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -73 | -36.7 | -179.9 | -159.8 | 62.5 | 48.2 | 0 | 0 | 111.9 | L224 G344 N345 Q346 Q351 T352 | L224-Q348 HydrophobicContact CD1-CG 4.03Å; L224-Q348 HydrophobicContact CD2-CB 3.64Å; L224-Q348 HydrophobicContact CD2-CG 3.2Å; L224-Q348 HydrophobicContact CG-CG 4.22Å; G344-Q348 PolarHBondContact O-N 3.3Å; N345-Q348 PolarHBondContact O-N 2.87Å; Q346-Q348 VanDerWaalsContact C-N 3.26Å; Q346-Q348 PolarHBondContact O-N 3.03Å; Q348-Q351 WeakPolarHBondContact O-CB 3.27Å; Q348-Q351 PolarHBondContact O-N 3.27Å; Q348-T352 PolarHBondContact O-N 3.08Å; Q348-T352 VanDerWaalsContact O-N 3.08Å; Q348-T352 PolarHBondContact O-OG1 3.35Å |
| 349 | L | 81 | Confident | 79 | Confident | 85 Ų | 85 | 82.5 Ų | 82.5 | 45% | 0.445 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 174.9 | -175 | 64.8 | 0 | 0 | 0 | 112 | T221 N345 Q346 Q351 T352 L353 | T221-L349 HydrophobicContact CG2-CD1 4.49Å; N345-L349 WeakPolarHBondContact O-CB 3.44Å; N345-L349 PolarHBondContact O-N 2.96Å; Q346-L349 PolarHBondContact O-N 3.33Å; L349-Q351 VanDerWaalsContact C-N 3.27Å; L349-Q351 PolarHBondContact O-N 2.84Å; L349-T352 PolarHBondContact O-N 3.44Å; L349-L353 HydrophobicContact CG-CD1 4.3Å; L349-L353 WeakPolarHBondContact O-CG 3.28Å; L349-L353 PolarHBondContact O-N 3.13Å |
| 350 | E | 83 | Confident | 76.7 | Confident | 86 Ų | 86 | 86.6 Ų | 86.6 | 40% | 0.402 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61 | -36.1 | 174.4 | -75.9 | 177.8 | -164.8 | 0 | 0 | 112.2 | Q346 K354 | Q346-E350 HydrophobicContact CG-CG 4.49Å; Q346-E350 PolarHBondContact NE2-OE1 3.07Å; Q346-E350 WeakPolarHBondContact O-CG 3.36Å; Q346-E350 PolarHBondContact O-N 3.4Å; E350-K354 WeakPolarHBondContact O-CG 3.24Å; E350-K354 PolarHBondContact O-N 3.36Å |
| 351 | Q | 77.3 | Confident | 74.4 | Confident | 101 Ų | 101 | 92.3 Ų | 92.3 | 47% | 0.472 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 173.9 | -69.8 | 173.6 | 10.8 | 0 | 0 | 111.6 | Q347 Q348 L349 L353 K354 Q355 | Q347-Q351 WeakPolarHBondContact O-CG 3.43Å; Q347-Q351 PolarHBondContact O-N 3.28Å; Q348-Q351 WeakPolarHBondContact O-CB 3.27Å; Q348-Q351 PolarHBondContact O-N 3.27Å; L349-Q351 VanDerWaalsContact C-N 3.27Å; L349-Q351 PolarHBondContact O-N 2.84Å; Q351-L353 PolarHBondContact O-N 3.2Å; Q351-K354 PolarHBondContact O-N 2.91Å; Q351-Q355 PolarHBondContact O-N 3.41Å |
| 352 | T | 73 | Confident | 72 | Confident | 20 Ų | 20 | 98 Ų | 98 | 12% | 0.123 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 175.9 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | Q348 L349 K354 Q355 F356 | Q348-T352 PolarHBondContact O-N 3.08Å; Q348-T352 VanDerWaalsContact O-N 3.08Å; Q348-T352 PolarHBondContact O-OG1 3.35Å; L349-T352 PolarHBondContact O-N 3.44Å; T352-K354 VanDerWaalsContact C-N 3.34Å; T352-K354 PolarHBondContact O-N 3.06Å; T352-Q355 WeakPolarHBondContact O-CB 3.23Å; T352-Q355 PolarHBondContact O-N 2.88Å; T352-Q355 VanDerWaalsContact O-N 3.12Å; T352-F356 HydrophobicContact CG2-CD2 4.23Å; T352-F356 HydrophobicContact CG2-CE2 4.05Å; T352-F356 WeakPolarHBondContact O-CD2 3.45Å; T352-F356 PolarHBondContact O-N 2.99Å; T352-F356 VanDerWaalsContact O-N 3.13Å |
| 353 | L | 70.3 | Confident | 69.7 | Low | 84 Ų | 84 | 97.1 Ų | 97.1 | 44% | 0.44 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.7 | -34.6 | 178 | -73.7 | 172.2 | 0 | 0 | 0 | 113.1 | L349 Q351 Q355 F356 H357 | L349-L353 HydrophobicContact CG-CD1 4.3Å; L349-L353 WeakPolarHBondContact O-CG 3.28Å; L349-L353 PolarHBondContact O-N 3.13Å; Q351-L353 PolarHBondContact O-N 3.2Å; L353-Q355 VanDerWaalsContact C-N 3.31Å; L353-Q355 PolarHBondContact O-N 3.08Å; L353-F356 WeakPolarHBondContact O-CB 3.13Å; L353-F356 PolarHBondContact O-N 3.35Å; L353-H357 PolarHBondContact O-N 2.81Å; L353-H357 VanDerWaalsContact O-N 3.15Å; L353-H357 PolarHBondContact O-ND1 3.01Å |
| 354 | K | 70.4 | Confident | 67.6 | Low | 132 Ų | 132 | 97 Ų | 97 | 57% | 0.574 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.9 | -37.2 | 172.9 | -75.2 | 171.2 | -175.9 | 173.1 | 0 | 111.7 | E350 Q351 T352 H357 I358 | E350-K354 WeakPolarHBondContact O-CG 3.24Å; E350-K354 PolarHBondContact O-N 3.36Å; Q351-K354 PolarHBondContact O-N 2.91Å; T352-K354 VanDerWaalsContact C-N 3.34Å; T352-K354 PolarHBondContact O-N 3.06Å; K354-H357 PolarHBondContact O-N 3.15Å; K354-I358 WeakPolarHBondContact O-CD1 3.38Å; K354-I358 VanDerWaalsContact O-CG1 3.31Å; K354-I358 WeakPolarHBondContact O-CG1 3.29Å; K354-I358 PolarHBondContact O-N 3.02Å |
| 355 | Q | 64.6 | Low | 65.6 | Low | 101 Ų | 101 | 98.8 Ų | 98.8 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 174.5 | -70 | 179.4 | -19.5 | 0 | 0 | 111.9 | Q351 T352 L353 H357 I358 K359 | Q351-Q355 PolarHBondContact O-N 3.41Å; T352-Q355 WeakPolarHBondContact O-CB 3.23Å; T352-Q355 PolarHBondContact O-N 2.88Å; T352-Q355 VanDerWaalsContact O-N 3.12Å; L353-Q355 VanDerWaalsContact C-N 3.31Å; L353-Q355 PolarHBondContact O-N 3.08Å; Q355-H357 PolarHBondContact O-N 3.25Å; Q355-I358 PolarHBondContact O-N 3.04Å; Q355-K359 PolarHBondContact O-N 3.28Å |
| 356 | F | 62.8 | Low | 63.6 | Low | 53 Ų | 53 | 107 Ų | 107 | 23% | 0.232 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -57.6 | -48.4 | 173.1 | -89.2 | -81.5 | 0 | 0 | 0 | 112.4 | Y217 T352 L353 I358 K359 L360 | Y217-F356 HydrophobicContact CD2-CD1 4.42Å; Y217-F356 HydrophobicContact CD2-CD2 4.39Å; Y217-F356 AromaticContact CD2-CE1 3.69Å; Y217-F356 HydrophobicContact CD2-CE1 3.69Å; Y217-F356 AromaticContact CD2-CE2 3.65Å; Y217-F356 HydrophobicContact CD2-CE2 3.65Å; Y217-F356 AromaticContact CD2-CZ 3.25Å; Y217-F356 HydrophobicContact CD2-CZ 3.25Å; Y217-F356 HydrophobicContact CE2-CE1 4.21Å; Y217-F356 HydrophobicContact CE2-CZ 4.17Å; Y217-F356 AromaticContact CG-CE2 3.76Å; Y217-F356 HydrophobicContact CG-CE2 3.76Å; Y217-F356 AromaticContact CG-CZ 3.76Å; Y217-F356 HydrophobicContact CG-CZ 3.76Å; T352-F356 HydrophobicContact CG2-CD2 4.23Å; T352-F356 HydrophobicContact CG2-CE2 4.05Å; T352-F356 WeakPolarHBondContact O-CD2 3.45Å; T352-F356 PolarHBondContact O-N 2.99Å; T352-F356 VanDerWaalsContact O-N 3.13Å; L353-F356 WeakPolarHBondContact O-CB 3.13Å; L353-F356 PolarHBondContact O-N 3.35Å; F356-I358 PolarHBondContact O-N 3.04Å; F356-K359 PolarHBondContact O-N 2.65Å; F356-L360 HydrophobicContact CD1-CD1 4.11Å; F356-L360 WeakPolarHBondContact O-CB 3.47Å; F356-L360 PolarHBondContact O-N 2.84Å |
| 357 | H | 56.9 | Low | 61.8 | Low | 152 Ų | 152 | 106.4 Ų | 106.4 | 70% | 0.704 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.7 | -25.2 | -179.4 | -70.9 | 96.1 | 0 | 0 | 0 | 113.6 | L353 K354 Q355 | L353-H357 PolarHBondContact O-N 2.81Å; L353-H357 VanDerWaalsContact O-N 3.15Å; L353-H357 PolarHBondContact O-ND1 3.01Å; K354-H357 PolarHBondContact O-N 3.15Å; Q355-H357 PolarHBondContact O-N 3.25Å |
| 358 | I | 54.1 | Low | 60.2 | Low | 130 Ų | 130 | 104.1 Ų | 104.1 | 67% | 0.667 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -81.1 | -37.7 | 176.2 | -65.9 | 166.5 | 0 | 0 | 0 | 110.8 | K354 Q355 F356 | K354-I358 WeakPolarHBondContact O-CD1 3.38Å; K354-I358 VanDerWaalsContact O-CG1 3.31Å; K354-I358 WeakPolarHBondContact O-CG1 3.29Å; K354-I358 PolarHBondContact O-N 3.02Å; Q355-I358 PolarHBondContact O-N 3.04Å; F356-I358 PolarHBondContact O-N 3.04Å |
| 359 | K | 51.8 | Low | 59.2 | Low | 98 Ų | 98 | 103.5 Ų | 103.5 | 43% | 0.426 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -89.1 | -18.8 | -177.3 | -68.7 | -164.1 | -176.9 | -171.1 | 0 | 115.3 | E213 Y217 Q355 F356 K361 | E213-K359 VanDerWaalsContact CD-NZ 3.35Å; E213-K359 IonicContact OE1-NZ 3.37Å; E213-K359 PolarHBondContact OE1-NZ 3.26Å; E213-K359 WeakPolarHBondContact OE2-CD 3.49Å; E213-K359 IonicContact OE2-NZ 2.63Å; E213-K359 PolarHBondContact OE2-NZ 2.99Å; Y217-K359 WeakPolarHBondContact OH-CD 3.47Å; Y217-K359 VanDerWaalsContact OH-CE 3.25Å; Y217-K359 WeakPolarHBondContact OH-CE 3.5Å; Y217-K359 PolarHBondContact OH-NZ 2.84Å; Q355-K359 PolarHBondContact O-N 3.28Å; F356-K359 PolarHBondContact O-N 2.65Å; K359-K361 PolarHBondContact O-N 3.17Å; K359-K361 VanDerWaalsContact O-N 3.13Å |
| 360 | L | 49.2 | Very low | 58.4 | Low | 130 Ų | 130 | 108.3 Ų | 108.3 | 68% | 0.681 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -0.4 | 170.3 | -116.1 | 96.3 | 0 | 0 | 0 | 113.9 | F356 M362 | F356-L360 HydrophobicContact CD1-CD1 4.11Å; F356-L360 WeakPolarHBondContact O-CB 3.47Å; F356-L360 PolarHBondContact O-N 2.84Å; L360-M362 PolarHBondContact O-N 3.27Å |
| 361 | K | 46.8 | Very low | 57.4 | Low | 183 Ų | 183 | 110.6 Ų | 110.6 | 80% | 0.796 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -70.4 | 86.5 | 156.7 | -84.5 | -173.7 | 174.2 | -179.4 | 0 | 107.7 | K359 P363 | K359-K361 PolarHBondContact O-N 3.17Å; K359-K361 VanDerWaalsContact O-N 3.13Å; K361-P363 WeakPolarHBondContact O-CD 3.4Å |
| 362 | M | 44.4 | Very low | 56.8 | Low | 146 Ų | 146 | 113 Ų | 113 | 72% | 0.719 | 59% | 0.594 | S | S | * | * | trans | -43.4 | 118.2 | -176.7 | -63.9 | -166.1 | -51 | 0 | 0 | 112.6 | L360 G364 | L360-M362 PolarHBondContact O-N 3.27Å; M362-G364 VanDerWaalsContact C-N 3.26Å; M362-G364 PolarHBondContact O-N 3Å | ||
| 363 | P | 45.8 | Very low | 55.8 | Low | 133 Ų | 133 | 119 Ų | 119 | 86% | 0.864 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | 78.5 | 155.7 | 31.4 | -24 | 0 | 0 | 0 | 107.3 | K361 | K361-P363 WeakPolarHBondContact O-CD 3.4Š|
| 364 | G | 49.4 | Very low | 54.7 | Low | 43 Ų | 43 | 125.7 Ų | 125.7 | 44% | 0.443 | 65% | 0.65 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 172.2 | 19 | -176.1 | 0 | 0 | 0 | 0 | 0 | 118 | M362 E366 | M362-G364 VanDerWaalsContact C-N 3.26Å; M362-G364 PolarHBondContact O-N 3Å; G364-E366 PolarHBondContact O-N 3.02Å |
| 365 | G | 48.6 | Very low | 54 | Low | 68 Ų | 68 | 125.4 Ų | 125.4 | 70% | 0.701 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 12.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 366 | E | 49.4 | Very low | 53.4 | Low | 186 Ų | 186 | 126.7 Ų | 126.7 | 87% | 0.869 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.6 | 36.7 | -176.1 | -63.7 | -171.5 | 168.2 | 0 | 0 | 112.7 | G364 | G364-E366 PolarHBondContact O-N 3.02Š|
| 367 | S | 52.1 | Low | 52.9 | Low | 101 Ų | 101 | 130.8 Ų | 130.8 | 71% | 0.706 | 69% | 0.687 | S | S | * | * | trans | -107.5 | 99.7 | 161.3 | -29.4 | 0 | 0 | 0 | 0 | 107.2 | S369 | S367-S369 PolarHBondContact O-N 3.43Š| ||
| 368 | P | 52.9 | Low | 52.6 | Low | 82 Ų | 82 | 129.5 Ų | 129.5 | 53% | 0.532 | 69% | 0.686 | S | S | . | * | trans | -59.6 | 138 | 176.4 | 24.1 | -29.7 | 0 | 0 | 0 | 108.5 | W370 | P368-W370 PolarHBondContact O-N 3.13Š| ||
| 369 | S | 59.6 | Low | 52.6 | Low | 60 Ų | 60 | 129.5 Ų | 129.5 | 42% | 0.42 | 69% | 0.687 | S | S | . | * | trans | -58.3 | 135.3 | 171 | -174.2 | 0 | 0 | 0 | 0 | 107.5 | S367 L371 E372 | S367-S369 PolarHBondContact O-N 3.43Å; S369-L371 PolarHBondContact O-N 3.32Å; S369-E372 WeakPolarHBondContact O-CB 3.26Å; S369-E372 PolarHBondContact O-N 2.85Å | ||
| 370 | W | 65 | Low | 52.6 | Low | 186 Ų | 186 | 131.6 Ų | 131.6 | 71% | 0.705 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -54 | -22.2 | 174.1 | 148.9 | 68.8 | 0 | 0 | 0 | 112.6 | P368 E372 E373 | P368-W370 PolarHBondContact O-N 3.13Å; W370-E372 PolarHBondContact O-N 2.86Å; W370-E373 PolarHBondContact O-N 3.09Å |
| 371 | L | 62.1 | Low | 52.9 | Low | 133 Ų | 133 | 131.7 Ų | 131.7 | 70% | 0.696 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -71 | -12.2 | 173.2 | -75.6 | 161.1 | 0 | 0 | 0 | 114.5 | S369 | S369-L371 PolarHBondContact O-N 3.32Š|
| 372 | E | 62.8 | Low | 53.3 | Low | 153 Ų | 153 | 127.8 Ų | 127.8 | 72% | 0.715 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -94.2 | -3.7 | 176.3 | -66 | 178 | 162.7 | 0 | 0 | 112.7 | S369 W370 | S369-E372 WeakPolarHBondContact O-CB 3.26Å; S369-E372 PolarHBondContact O-N 2.85Å; W370-E372 PolarHBondContact O-N 2.86Å |
| 373 | E | 52.7 | Low | 54.1 | Low | 144 Ų | 144 | 126.3 Ų | 126.3 | 67% | 0.673 | 70% | 0.698 | S | S | * | * | trans | -94.5 | 7.6 | -179.4 | -95.3 | -173.6 | 165.5 | 0 | 0 | 115.3 | W370 | W370-E373 PolarHBondContact O-N 3.09Š| ||
| 374 | H | 48.5 | Very low | 54.8 | Low | 226 Ų | 226 | 125.6 Ų | 125.6 | 100% | 1.046 | 68% | 0.682 | S | S | * | * | trans | -133.5 | 0 | 179.7 | -77 | -50.8 | 0 | 0 | 0 | 115.7 |
Retrieved 374 of 374 residues in 608 ms
(Link to these results)