| 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 | 36.7 | Very low | 39.9 | Very low | 241 Ų | 241 | 148.2 Ų | 148.2 | 100% | 1.187 | 82% | 0.82 | S | S | * | * | 0 | 89.5 | 0 | -77.4 | 142.6 | 82.9 | 0 | 0 | 108.9 | |||||
| 2 | N | 35.3 | Very low | 39.1 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | trans | 41.6 | 113.3 | 133.7 | -79.2 | 10.3 | 0 | 0 | 0 | 122.7 | ||||
| 3 | H | 37.5 | Very low | 38.5 | Very low | 165 Ų | 165 | 137.2 Ų | 137.2 | 76% | 0.764 | 82% | 0.815 | S | S | * | * | 91.5 | 108.2 | 127.1 | -56.3 | -44.7 | 0 | 0 | 0 | 120.8 | |||||
| 4 | S | 39 | Very low | 38.2 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 78% | 0.783 | 82% | 0.821 | S | S | * | * | trans | -63.4 | 172.7 | 137.7 | -49 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 5 | P | 60.6 | Low | 37.9 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 79% | 0.792 | 82% | 0.821 | S | S | * | * | cis | -148.6 | -170 | 25.5 | 37 | -11.2 | 0 | 0 | 0 | 117.4 | ||||
| 6 | S | 38.3 | Very low | 37.6 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | trans | -47.1 | -172.9 | 166.7 | -50.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 7 | P | 57.7 | Low | 37.2 | Very low | 92 Ų | 92 | 134.2 Ų | 134.2 | 60% | 0.597 | 82% | 0.818 | S | S | * | * | cis | -140 | -175.2 | 12.7 | 20.6 | 10.1 | 0 | 0 | 0 | 114.7 | ||||
| 8 | H | 31.9 | Very low | 36.8 | Very low | 177 Ų | 177 | 131.6 Ų | 131.6 | 82% | 0.819 | 82% | 0.822 | S | S | * | * | 171.5 | 160.7 | 93.3 | -70.7 | -69.1 | 0 | 0 | 0 | 112.6 | |||||
| 9 | L | 34 | Very low | 36.7 | Very low | 166 Ų | 166 | 128.2 Ų | 128.2 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | trans | -78.2 | 160.2 | -172.2 | -58.5 | 157.5 | 0 | 0 | 0 | 115.1 | ||||
| 10 | S | 35.9 | Very low | 36.5 | Very low | 114 Ų | 114 | 129.9 Ų | 129.9 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | 175.7 | 113.4 | 129 | -73 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 11 | E | 31.7 | Very low | 36.3 | Very low | 197 Ų | 197 | 130.9 Ų | 130.9 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | 78.4 | 129.6 | 78.2 | -141.6 | -169.2 | -164.7 | 0 | 0 | 114.6 | |||||
| 12 | G | 30.6 | Very low | 36 | Very low | 82 Ų | 82 | 124.5 Ų | 124.5 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | trans | 81.5 | 131.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 13 | G | 31.3 | Very low | 35.9 | Very low | 71 Ų | 71 | 124.5 Ų | 124.5 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | cis | 141 | 114.1 | 19.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 14 | K | 34.9 | Very low | 35.7 | Very low | 208 Ų | 208 | 124.1 Ų | 124.1 | 90% | 0.904 | 81% | 0.806 | S | S | * | * | trans | 52.1 | 120.3 | 144.4 | -69.1 | 177.9 | 176.7 | 177.3 | 0 | 120.5 | ||||
| 15 | S | 32.8 | Very low | 35.3 | Very low | 117 Ų | 117 | 122.3 Ų | 122.3 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | 97.2 | 141 | 117.5 | -164.3 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 16 | A | 32.9 | Very low | 34.2 | Very low | 99 Ų | 99 | 124.7 Ų | 124.7 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | 70.9 | 134.3 | 162 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 17 | G | 30.8 | Very low | 33.8 | Very low | 74 Ų | 74 | 123 Ų | 123 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | cis | 123.9 | 120.3 | 22 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 18 | G | 30.2 | Very low | 32.9 | Very low | 87 Ų | 87 | 124.4 Ų | 124.4 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | trans | 77.5 | 132.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 19 | G | 34.3 | Very low | 33 | Very low | 67 Ų | 67 | 122.9 Ų | 122.9 | 69% | 0.691 | 82% | 0.82 | S | S | * | * | cis | 124.3 | 154.1 | 33.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 20 | L | 33.4 | Very low | 33.1 | Very low | 162 Ų | 162 | 126.6 Ų | 126.6 | 85% | 0.848 | 82% | 0.823 | S | S | * | * | trans | 90.1 | 104.1 | 177.5 | -54 | 163.1 | 0 | 0 | 0 | 114.1 | ||||
| 21 | L | 33.4 | Very low | 33 | Very low | 152 Ų | 152 | 124.5 Ų | 124.5 | 80% | 0.796 | 82% | 0.819 | S | S | * | * | 65.8 | 109.5 | 79.1 | -81 | 171.7 | 0 | 0 | 0 | 113.2 | |||||
| 22 | C | 30.1 | Very low | 33.1 | Very low | 107 Ų | 107 | 122.8 Ų | 122.8 | 72% | 0.723 | 82% | 0.815 | S | S | * | * | 150.7 | 120.8 | 119.4 | -86.9 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 23 | S | 31.7 | Very low | 33.5 | Very low | 133 Ų | 133 | 130.8 Ų | 130.8 | 93% | 0.93 | 82% | 0.819 | S | S | * | * | trans | -156.8 | 114.3 | 137.5 | -80.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 24 | I | 34.3 | Very low | 33.5 | Very low | 156 Ų | 156 | 132.7 Ų | 132.7 | 80% | 0.8 | 82% | 0.821 | S | S | * | * | trans | -71.7 | 148.8 | 176.3 | -75.2 | 154.7 | 0 | 0 | 0 | 109.8 | ||||
| 25 | G | 29.6 | Very low | 33.9 | Very low | 75 Ų | 75 | 128.9 Ų | 128.9 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | -179 | 93.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 26 | L | 37.9 | Very low | 33.9 | Very low | 172 Ų | 172 | 130.4 Ų | 130.4 | 90% | 0.901 | 82% | 0.817 | S | S | * | * | trans | -70.8 | 151.8 | -172.4 | -67.1 | 157.2 | 0 | 0 | 0 | 114.4 | ||||
| 27 | G | 30.9 | Very low | 34 | Very low | 76 Ų | 76 | 130.3 Ų | 130.3 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | trans | -170.6 | 76.2 | 168 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 28 | S | 38.3 | Very low | 34.3 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | -49.4 | 154 | 155.3 | -78.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 29 | D | 34.4 | Very low | 34.5 | Very low | 144 Ų | 144 | 134.3 Ų | 134.3 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | cis | -179.4 | 135.7 | 5.7 | 172.5 | 23.8 | 0 | 0 | 0 | 105.4 | ||||
| 30 | R | 36.6 | Very low | 34.4 | Very low | 245 Ų | 245 | 138.4 Ų | 138.4 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | trans | 171.9 | 106.2 | 145 | -101.3 | -178.7 | -178.6 | -142.8 | 0.1 | 109.5 | ||||
| 31 | G | 32.1 | Very low | 34.6 | Very low | 69 Ų | 69 | 136.4 Ų | 136.4 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | -74.5 | 167.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 32 | I | 34.5 | Very low | 34.7 | Very low | 162 Ų | 162 | 135.1 Ų | 135.1 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | trans | -134.3 | 118.1 | 136.8 | -66.6 | -167.8 | 0 | 0 | 0 | 106 | S34 | I32-S34 PolarHBondContact O-N 3.28Š| ||
| 33 | R | 38.1 | Very low | 34.8 | Very low | 250 Ų | 250 | 134.4 Ų | 134.4 | 94% | 0.943 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 118.8 | 165.9 | -85.6 | 177.6 | 163.9 | -162.3 | -4.3 | 108.6 | ||
| 34 | S | 32.4 | Very low | 35.2 | Very low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -102 | 135.8 | 152.9 | -85.2 | 0 | 0 | 0 | 0 | 108.4 | I32 | I32-S34 PolarHBondContact O-N 3.28Š|
| 35 | P | 44.1 | Very low | 35.4 | Very low | 128 Ų | 128 | 134.1 Ų | 134.1 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 146.4 | -179.8 | 29.7 | -31.4 | 0 | 0 | 0 | 111.7 | ||
| 36 | D | 31.7 | Very low | 35.6 | Very low | 150 Ų | 150 | 133.2 Ų | 133.2 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 150.4 | 176 | -89 | -45.9 | 0 | 0 | 0 | 115 | ||
| 37 | S | 35.6 | Very low | 35.5 | Very low | 96 Ų | 96 | 128.9 Ų | 128.9 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | trans | 65.8 | 108.1 | 137.4 | -63.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 38 | L | 35.8 | Very low | 35.7 | Very low | 147 Ų | 147 | 131.4 Ų | 131.4 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | -156 | 72.4 | 121.1 | -78.8 | -165.6 | 0 | 0 | 0 | 109.4 | H40 | L38-H40 PolarHBondContact O-N 3.46Å; L38-H40 VanDerWaalsContact O-N 3.15Å | |||
| 39 | A | 34.8 | Very low | 35.7 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -80.4 | 78.3 | 158.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 40 | H | 33.1 | Very low | 35.7 | Very low | 154 Ų | 154 | 129.9 Ų | 129.9 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | -92.4 | 92.1 | 162.2 | -74.7 | -54.2 | 0 | 0 | 0 | 108.3 | L38 P42 | L38-H40 PolarHBondContact O-N 3.46Å; L38-H40 VanDerWaalsContact O-N 3.15Å; H40-P42 WeakPolarHBondContact O-CD 3.31Å | ||
| 41 | T | 36.6 | Very low | 35.8 | Very low | 119 Ų | 119 | 123.6 Ų | 123.6 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | trans | -72.4 | 118.5 | 156.7 | 46 | 0 | 0 | 0 | 0 | 107.8 | S43 | T41-S43 PolarHBondContact O-N 3.32Š| ||
| 42 | P | 35.5 | Very low | 36 | Very low | 125 Ų | 125 | 125.1 Ų | 125.1 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | -72.9 | 102.7 | 166.9 | 28.6 | -29.1 | 0 | 0 | 0 | 107.8 | H40 | H40-P42 WeakPolarHBondContact O-CD 3.31Š| ||
| 43 | S | 32.6 | Very low | 36.4 | Very low | 93 Ų | 93 | 122.6 Ų | 122.6 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | trans | -60.1 | 138.7 | 161 | -65.8 | 0 | 0 | 0 | 0 | 108.9 | T41 T45 | T41-S43 PolarHBondContact O-N 3.32Å; S43-T45 PolarHBondContact O-N 3.4Å; S43-T45 VanDerWaalsContact O-N 3.09Å | ||
| 44 | P | 39.7 | Very low | 36.5 | Very low | 125 Ų | 125 | 116 Ų | 116 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | trans | -69.4 | 112 | -179.1 | 28.2 | -31.5 | 0 | 0 | 0 | 109.2 | G46 | P44-G46 PolarHBondContact O-N 3.12Š| ||
| 45 | T | 38.9 | Very low | 36.8 | Very low | 158 Ų | 158 | 118.9 Ų | 118.9 | 97% | 0.969 | 77% | 0.77 | S | S | * | * | trans | -75.9 | 82.4 | 164.8 | -21.5 | 0 | 0 | 0 | 0 | 107.4 | S43 | S43-T45 PolarHBondContact O-N 3.4Å; S43-T45 VanDerWaalsContact O-N 3.09Å | ||
| 46 | G | 34.8 | Very low | 36.5 | Very low | 56 Ų | 56 | 120.4 Ų | 120.4 | 58% | 0.577 | 77% | 0.77 | S | S | * | * | trans | -129.7 | 110.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | P44 T48 | P44-G46 PolarHBondContact O-N 3.12Å; G46-T48 PolarHBondContact O-N 2.84Å | ||
| 47 | G | 35.2 | Very low | 36.8 | Very low | 81 Ų | 81 | 121 Ų | 121 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | trans | -54 | 121.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 48 | T | 35.3 | Very low | 36.8 | Very low | 128 Ų | 128 | 121.9 Ų | 121.9 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -69.8 | 126.9 | 167.3 | 38.9 | 0 | 0 | 0 | 0 | 109 | G46 S50 | G46-T48 PolarHBondContact O-N 2.84Å; T48-S50 PolarHBondContact O-N 2.89Å | ||
| 49 | P | 36.9 | Very low | 37.1 | Very low | 124 Ų | 124 | 120.9 Ų | 120.9 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | trans | -76.6 | 102.6 | 159.3 | 29.4 | -26 | 0 | 0 | 0 | 107.1 | S51 | P49-S51 PolarHBondContact O-N 3.42Š| ||
| 50 | S | 36.5 | Very low | 37.2 | Very low | 110 Ų | 110 | 120 Ų | 120 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | -59.8 | 112.9 | 162.2 | 177.5 | 0 | 0 | 0 | 0 | 108.2 | T48 | T48-S50 PolarHBondContact O-N 2.89Š| ||
| 51 | S | 37 | Very low | 37.5 | Very low | 112 Ų | 112 | 121.6 Ų | 121.6 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -130.9 | 75.7 | 169.2 | -175.8 | 0 | 0 | 0 | 0 | 108 | P49 | P49-S51 PolarHBondContact O-N 3.42Š| ||
| 52 | S | 37.4 | Very low | 37.6 | Very low | 101 Ų | 101 | 119.8 Ų | 119.8 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 133.7 | 154.5 | -63 | 0 | 0 | 0 | 0 | 107.6 | ||
| 53 | P | 42.3 | Very low | 37.4 | Very low | 110 Ų | 110 | 117.6 Ų | 117.6 | 71% | 0.714 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 143.9 | 176.1 | 29.6 | -31.7 | 0 | 0 | 0 | 109.8 | L55 | P53-L55 PolarHBondContact O-N 3.02Š|
| 54 | P | 39.8 | Very low | 38.1 | Very low | 110 Ų | 110 | 122.1 Ų | 122.1 | 71% | 0.714 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 129.6 | 173.9 | 30.2 | -30.1 | 0 | 0 | 0 | 108.6 | L56 | P54-L56 PolarHBondContact O-N 2.99Š|
| 55 | L | 39.6 | Very low | 37.7 | Very low | 172 Ų | 172 | 119.9 Ų | 119.9 | 90% | 0.901 | 82% | 0.815 | S | S | * | * | trans | -64.4 | 103.8 | 165.6 | -67.5 | 174.2 | 0 | 0 | 0 | 107.7 | P53 L57 | P53-L55 PolarHBondContact O-N 3.02Å; L55-L57 PolarHBondContact O-N 3.25Å | ||
| 56 | L | 38.2 | Very low | 38.2 | Very low | 159 Ų | 159 | 121.3 Ų | 121.3 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -72.7 | 110.6 | 169.4 | -72 | 175.7 | 0 | 0 | 0 | 108.6 | P54 S58 | P54-L56 PolarHBondContact O-N 2.99Å; L56-S58 PolarHBondContact O-N 3.4Å | ||
| 57 | L | 37.1 | Very low | 38.3 | Very low | 164 Ų | 164 | 122 Ų | 122 | 86% | 0.859 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 122.7 | 164 | -75.1 | 151.7 | 0 | 0 | 0 | 108.9 | L55 P59 | L55-L57 PolarHBondContact O-N 3.25Å; L57-P59 WeakPolarHBondContact O-CD 3.36Å |
| 58 | S | 35.2 | Very low | 38.5 | Very low | 113 Ų | 113 | 124.3 Ų | 124.3 | 79% | 0.79 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 130.8 | 169.6 | -52.2 | 0 | 0 | 0 | 0 | 111.1 | L56 | L56-S58 PolarHBondContact O-N 3.4Š|
| 59 | P | 43 | Very low | 39.1 | Very low | 127 Ų | 127 | 126.3 Ų | 126.3 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 128.2 | 160.6 | -14 | 30.4 | 0 | 0 | 0 | 109.8 | L57 | L57-P59 WeakPolarHBondContact O-CD 3.36Š|
| 60 | G | 36.3 | Very low | 39.7 | Very low | 79 Ų | 79 | 123.8 Ų | 123.8 | 81% | 0.814 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 137.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | G62 | G60-G62 PolarHBondContact O-N 3.21Š|
| 61 | L | 39.2 | Very low | 40.1 | Very low | 188 Ų | 188 | 128.5 Ų | 128.5 | 98% | 0.984 | 84% | 0.837 | S | S | * | * | trans | -85.5 | 99.5 | 171.5 | -145.9 | 86.9 | 0 | 0 | 0 | 108.6 | ||||
| 62 | G | 38.3 | Very low | 40.5 | Very low | 80 Ų | 80 | 125.6 Ų | 125.6 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | trans | -146.6 | 122.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | G60 | G60-G62 PolarHBondContact O-N 3.21Š| ||
| 63 | G | 32.8 | Very low | 41.2 | Very low | 80 Ų | 80 | 125.1 Ų | 125.1 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | trans | 142.7 | 94.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 64 | L | 46.3 | Very low | 41.6 | Very low | 187 Ų | 187 | 122.3 Ų | 122.3 | 98% | 0.979 | 82% | 0.818 | S | S | * | * | trans | -62.2 | 140.5 | 164.6 | -66.8 | 162.5 | 0 | 0 | 0 | 110.5 | ||||
| 65 | G | 32.6 | Very low | 42.4 | Very low | 79 Ų | 79 | 119 Ų | 119 | 81% | 0.814 | 80% | 0.803 | S | S | * | * | trans | -163.1 | 98.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 66 | L | 49.3 | Very low | 43.8 | Very low | 188 Ų | 188 | 116.4 Ų | 116.4 | 98% | 0.984 | 79% | 0.791 | S | S | * | * | trans | -59.5 | 135.8 | 175.2 | -178.4 | 72.2 | 0 | 0 | 0 | 112.1 | ||||
| 67 | G | 36.8 | Very low | 45.3 | Very low | 71 Ų | 71 | 117.2 Ų | 117.2 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | 172.2 | 101.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 68 | S | 37.9 | Very low | 47.4 | Very low | 129 Ų | 129 | 116.1 Ų | 116.1 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | trans | 82.7 | 123.1 | 146.5 | -147.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 69 | L | 48.5 | Very low | 49.5 | Very low | 170 Ų | 170 | 115 Ų | 115 | 89% | 0.89 | 76% | 0.762 | S | S | * | * | trans | -60.6 | 150.6 | 170.7 | -106.4 | 76.4 | 0 | 0 | 0 | 113.7 | ||||
| 70 | G | 49.4 | Very low | 51.4 | Low | 70 Ų | 70 | 117.1 Ų | 117.1 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 103.3 | 125 | 138.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 71 | E | 44.5 | Very low | 53.8 | Low | 209 Ų | 209 | 118.1 Ų | 118.1 | 98% | 0.977 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 67.3 | 71.3 | 170.9 | -71.2 | -179.8 | 132.9 | 0 | 0 | 117.2 | ||
| 72 | G | 46.4 | Very low | 56.1 | Low | 52 Ų | 52 | 114 Ų | 114 | 54% | 0.536 | 71% | 0.712 | S | S | . | * | trans | -155.1 | 2.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | G74 | G72-G74 PolarHBondContact O-N 3.1Å; G72-G74 VanDerWaalsContact O-N 3.07Å | ||
| 73 | A | 50.9 | Low | 58.5 | Low | 90 Ų | 90 | 114.9 Ų | 114.9 | 74% | 0.744 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 2.2 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 74 | G | 51.2 | Low | 61.3 | Low | 52 Ų | 52 | 118.5 Ų | 118.5 | 54% | 0.536 | 69% | 0.687 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.8 | -46.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | G72 D76 W77 E78 | G72-G74 PolarHBondContact O-N 3.1Å; G72-G74 VanDerWaalsContact O-N 3.07Å; G74-D76 PolarHBondContact O-N 2.98Å; G74-W77 PolarHBondContact O-N 3.35Å; G74-E78 PolarHBondContact O-N 3.44Å |
| 75 | G | 57.7 | Low | 63.4 | Low | 39 Ų | 39 | 113.7 Ų | 113.7 | 40% | 0.402 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -72.7 | -27.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | W77 E78 T79 | G75-W77 VanDerWaalsContact C-N 3.32Å; G75-W77 PolarHBondContact O-N 2.94Å; G75-E78 PolarHBondContact O-N 3.39Å; G75-T79 WeakPolarHBondContact O-CB 3.31Å; G75-T79 PolarHBondContact O-N 3.17Å; G75-T79 PolarHBondContact O-OG1 2.93Å |
| 76 | D | 67.3 | Low | 66.3 | Low | 118 Ų | 118 | 117.1 Ų | 117.1 | 63% | 0.631 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -70.7 | -30.1 | 178.5 | -156.9 | 30.4 | 0 | 0 | 0 | 111.9 | G74 R80 | G74-D76 PolarHBondContact O-N 2.98Å; D76-R80 WeakPolarHBondContact O-CB 3.5Å; D76-R80 PolarHBondContact O-N 3.42Å; D76-R80 VanDerWaalsContact O-N 3.11Å |
| 77 | W | 71.5 | Confident | 68.4 | Low | 176 Ų | 176 | 113.6 Ų | 113.6 | 67% | 0.667 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -73.6 | -44 | 173 | -73.6 | 101.8 | 0 | 0 | 0 | 112.4 | G74 G75 R80 E81 | G74-W77 PolarHBondContact O-N 3.35Å; G75-W77 VanDerWaalsContact C-N 3.32Å; G75-W77 PolarHBondContact O-N 2.94Å; W77-R80 PolarHBondContact O-N 3.17Å; W77-E81 VanDerWaalsContact O-CB 3.28Å; W77-E81 WeakPolarHBondContact O-CB 3.41Å; W77-E81 PolarHBondContact O-N 2.99Å |
| 78 | E | 80.3 | Confident | 71.1 | Confident | 141 Ų | 141 | 114.1 Ų | 114.1 | 66% | 0.659 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -61.2 | -44 | 175 | -92.6 | 175.9 | 159.9 | 0 | 0 | 111.7 | G74 G75 R80 E81 E82 | G74-E78 PolarHBondContact O-N 3.44Å; G75-E78 PolarHBondContact O-N 3.39Å; E78-R80 VanDerWaalsContact C-N 3.33Å; E78-R80 PolarHBondContact O-N 3.49Å; E78-E81 PolarHBondContact O-N 3.34Å; E78-E82 WeakPolarHBondContact O-CB 3.39Å; E78-E82 WeakPolarHBondContact O-CG 3.35Å; E78-E82 PolarHBondContact O-N 3.41Å |
| 79 | T | 80.3 | Confident | 73.8 | Confident | 91 Ų | 91 | 113.8 Ų | 113.8 | 56% | 0.558 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.9 | -38.2 | 178.8 | -46.5 | 0 | 0 | 0 | 0 | 111.7 | G75 L83 | G75-T79 WeakPolarHBondContact O-CB 3.31Å; G75-T79 PolarHBondContact O-N 3.17Å; G75-T79 PolarHBondContact O-OG1 2.93Å; T79-L83 WeakPolarHBondContact O-CB 3.43Å; T79-L83 PolarHBondContact O-N 2.81Å |
| 80 | R | 81.4 | Confident | 76 | Confident | 171 Ų | 171 | 110.5 Ų | 110.5 | 65% | 0.645 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -72.9 | -36.3 | 177.2 | -172.8 | 170 | 178.7 | 168 | -1.2 | 112.7 | D76 W77 E78 L83 R84 | D76-R80 WeakPolarHBondContact O-CB 3.5Å; D76-R80 PolarHBondContact O-N 3.42Å; D76-R80 VanDerWaalsContact O-N 3.11Å; W77-R80 PolarHBondContact O-N 3.17Å; E78-R80 VanDerWaalsContact C-N 3.33Å; E78-R80 PolarHBondContact O-N 3.49Å; R80-L83 PolarHBondContact O-N 2.94Å; R80-R84 WeakPolarHBondContact O-CB 3.37Å; R80-R84 PolarHBondContact O-N 3.17Å |
| 81 | E | 87.3 | Confident | 78.1 | Confident | 100 Ų | 100 | 109.5 Ų | 109.5 | 47% | 0.467 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.8 | -40.8 | 174.2 | -165.8 | 65.4 | -157.7 | 0 | 0 | 110.7 | W77 E78 L83 R84 L85 | W77-E81 VanDerWaalsContact O-CB 3.28Å; W77-E81 WeakPolarHBondContact O-CB 3.41Å; W77-E81 PolarHBondContact O-N 2.99Å; E78-E81 PolarHBondContact O-N 3.34Å; E81-L83 PolarHBondContact O-N 3.46Å; E81-R84 WeakPolarHBondContact O-CB 3.32Å; E81-R84 PolarHBondContact O-N 3.28Å; E81-L85 WeakPolarHBondContact O-CB 3.43Å; E81-L85 WeakPolarHBondContact O-CG 3.43Å; E81-L85 PolarHBondContact O-N 3.06Å |
| 82 | E | 87.8 | Confident | 80.5 | Confident | 100 Ų | 100 | 106.9 Ų | 106.9 | 47% | 0.467 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 171.8 | -83.7 | -168 | -163.5 | 0 | 0 | 112.7 | E78 R84 L85 R86 | E78-E82 WeakPolarHBondContact O-CB 3.39Å; E78-E82 WeakPolarHBondContact O-CG 3.35Å; E78-E82 PolarHBondContact O-N 3.41Å; E82-R84 VanDerWaalsContact C-N 3.32Å; E82-L85 PolarHBondContact O-N 2.82Å; E82-R86 WeakPolarHBondContact O-CG 3.36Å; E82-R86 PolarHBondContact O-N 2.93Å; E82-R86 IonicContact OE2-NH1 3.27Å; E82-R86 PolarHBondContact OE2-NH1 2.97Å |
| 83 | L | 88.4 | Confident | 82.7 | Confident | 100 Ų | 100 | 107.3 Ų | 107.3 | 52% | 0.524 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 175.1 | -169.4 | 73.2 | 0 | 0 | 0 | 110.5 | T79 R80 E81 L85 R86 E87 | T79-L83 WeakPolarHBondContact O-CB 3.43Å; T79-L83 PolarHBondContact O-N 2.81Å; R80-L83 PolarHBondContact O-N 2.94Å; E81-L83 PolarHBondContact O-N 3.46Å; L83-L85 PolarHBondContact O-N 2.8Å; L83-R86 PolarHBondContact O-N 3.48Å; L83-E87 WeakPolarHBondContact O-CG 3.31Å; L83-E87 PolarHBondContact O-N 2.97Å |
| 84 | R | 91.8 | Very high | 84.7 | Confident | 156 Ų | 156 | 110.4 Ų | 110.4 | 59% | 0.589 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.1 | -37.4 | 178.2 | -155 | -179.4 | -167.2 | 165.5 | 2.9 | 112.6 | R80 E81 E82 L88 | R80-R84 WeakPolarHBondContact O-CB 3.37Å; R80-R84 PolarHBondContact O-N 3.17Å; E81-R84 WeakPolarHBondContact O-CB 3.32Å; E81-R84 PolarHBondContact O-N 3.28Å; E82-R84 VanDerWaalsContact C-N 3.32Å; R84-L88 WeakPolarHBondContact O-CB 3.27Å; R84-L88 WeakPolarHBondContact O-CG 3.5Å; R84-L88 PolarHBondContact O-N 3.23Å |
| 85 | L | 90.7 | Very high | 86.8 | Confident | 85 Ų | 85 | 110.1 Ų | 110.1 | 45% | 0.445 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 173.5 | -77.4 | 168.8 | 0 | 0 | 0 | 111.6 | E81 E82 L83 L88 E89 | E81-L85 WeakPolarHBondContact O-CB 3.43Å; E81-L85 WeakPolarHBondContact O-CG 3.43Å; E81-L85 PolarHBondContact O-N 3.06Å; E82-L85 PolarHBondContact O-N 2.82Å; L83-L85 PolarHBondContact O-N 2.8Å; L85-L88 PolarHBondContact O-N 3.11Å; L85-E89 PolarHBondContact O-N 2.89Å |
| 86 | R | 92.3 | Very high | 88.6 | Confident | 152 Ų | 152 | 110.6 Ų | 110.6 | 57% | 0.574 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62 | -43.1 | 174 | -79 | -177.8 | 174.9 | 96.4 | -1.2 | 112.1 | E82 L83 L88 E89 E90 | E82-R86 WeakPolarHBondContact O-CG 3.36Å; E82-R86 PolarHBondContact O-N 2.93Å; E82-R86 IonicContact OE2-NH1 3.27Å; E82-R86 PolarHBondContact OE2-NH1 2.97Å; L83-R86 PolarHBondContact O-N 3.48Å; R86-L88 VanDerWaalsContact C-N 3.33Å; R86-L88 PolarHBondContact O-N 3.36Å; R86-E89 PolarHBondContact O-N 2.82Å; R86-E90 WeakPolarHBondContact O-CB 3.5Å; R86-E90 PolarHBondContact O-N 3.29Å |
| 87 | E | 93.6 | Very high | 89.7 | Confident | 114 Ų | 114 | 110.2 Ų | 110.2 | 53% | 0.533 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.6 | -39.8 | 175.1 | -74.7 | 177.8 | 170.5 | 0 | 0 | 111.9 | L83 E90 A91 | L83-E87 WeakPolarHBondContact O-CG 3.31Å; L83-E87 PolarHBondContact O-N 2.97Å; E87-E90 PolarHBondContact O-N 2.73Å; E87-A91 VanDerWaalsContact O-CB 3.31Å; E87-A91 WeakPolarHBondContact O-CB 3.32Å; E87-A91 PolarHBondContact O-N 3.35Å |
| 88 | L | 94.8 | Very high | 90.8 | Very high | 82 Ų | 82 | 108 Ų | 108 | 43% | 0.429 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 174.3 | -85.2 | 168.6 | 0 | 0 | 0 | 112.3 | R84 L85 R86 A91 R92 | R84-L88 WeakPolarHBondContact O-CB 3.27Å; R84-L88 WeakPolarHBondContact O-CG 3.5Å; R84-L88 PolarHBondContact O-N 3.23Å; L85-L88 PolarHBondContact O-N 3.11Å; R86-L88 VanDerWaalsContact C-N 3.33Å; R86-L88 PolarHBondContact O-N 3.36Å; L88-A91 PolarHBondContact O-N 3.39Å; L88-R92 WeakPolarHBondContact O-CB 3.39Å; L88-R92 VanDerWaalsContact O-CG 3.29Å; L88-R92 WeakPolarHBondContact O-CG 3.34Å; L88-R92 PolarHBondContact O-N 2.98Å |
| 89 | E | 93.7 | Very high | 91.5 | Very high | 121 Ų | 121 | 106.2 Ų | 106.2 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.8 | -40.3 | 174.5 | -83.9 | 174.5 | 158.7 | 0 | 0 | 111.9 | L85 R86 R92 A93 | L85-E89 PolarHBondContact O-N 2.89Å; R86-E89 PolarHBondContact O-N 2.82Å; E89-R92 PolarHBondContact O-N 3.45Å; E89-A93 WeakPolarHBondContact O-CB 3.48Å; E89-A93 PolarHBondContact O-N 3.3Å |
| 90 | E | 94.4 | Very high | 92.2 | Very high | 101 Ų | 101 | 108.5 Ų | 108.5 | 47% | 0.472 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.5 | -40.5 | 175.7 | -155 | -172 | 171.3 | 0 | 0 | 111.4 | R86 E87 A93 R94 | R86-E90 WeakPolarHBondContact O-CB 3.5Å; R86-E90 PolarHBondContact O-N 3.29Å; E87-E90 PolarHBondContact O-N 2.73Å; E90-A93 PolarHBondContact O-N 3.02Å; E90-R94 WeakPolarHBondContact O-CG 3.45Å; E90-R94 PolarHBondContact O-N 3Å; E90-R94 IonicContact OE1-CZ 2.78Å; E90-R94 IonicContact OE1-NE 3.59Å; E90-R94 IonicContact OE1-NH2 3.35Å; E90-R94 PolarHBondContact OE1-NH2 2.84Å; E90-R94 IonicContact OE2-NH2 3.86Å; E90-R94 PolarHBondContact OE2-NH2 2.92Å; E90-R94 VanDerWaalsContact OE2-NH2 3.15Å |
| 91 | A | 93.3 | Very high | 92.8 | Very high | 49 Ų | 49 | 103.4 Ų | 103.4 | 41% | 0.405 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | E87 L88 R94 A95 | E87-A91 VanDerWaalsContact O-CB 3.31Å; E87-A91 WeakPolarHBondContact O-CB 3.32Å; E87-A91 PolarHBondContact O-N 3.35Å; L88-A91 PolarHBondContact O-N 3.39Å; A91-R94 PolarHBondContact O-N 3.49Å; A91-A95 WeakPolarHBondContact O-CB 3.44Å; A91-A95 PolarHBondContact O-N 2.92Å |
| 92 | R | 95.2 | Very high | 93.1 | Very high | 154 Ų | 154 | 104.9 Ų | 104.9 | 58% | 0.581 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64 | -40.9 | 173.9 | -75.7 | 176.4 | -171.9 | 133.2 | 0.4 | 111.9 | L88 E89 A95 A96 | L88-R92 WeakPolarHBondContact O-CB 3.39Å; L88-R92 VanDerWaalsContact O-CG 3.29Å; L88-R92 WeakPolarHBondContact O-CG 3.34Å; L88-R92 PolarHBondContact O-N 2.98Å; E89-R92 PolarHBondContact O-N 3.45Å; R92-A95 PolarHBondContact O-N 3.47Å; R92-A96 WeakPolarHBondContact O-CB 3.43Å; R92-A96 PolarHBondContact O-N 3.4Å |
| 93 | A | 92.6 | Very high | 93.3 | Very high | 62 Ų | 62 | 107.2 Ų | 107.2 | 51% | 0.512 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E89 E90 A96 Q97 | E89-A93 WeakPolarHBondContact O-CB 3.48Å; E89-A93 PolarHBondContact O-N 3.3Å; E90-A93 PolarHBondContact O-N 3.02Å; A93-A96 PolarHBondContact O-N 3.35Å; A93-Q97 WeakPolarHBondContact O-CB 3.49Å; A93-Q97 PolarHBondContact O-N 3.06Å |
| 94 | R | 94.1 | Very high | 93.6 | Very high | 154 Ų | 154 | 109.4 Ų | 109.4 | 58% | 0.581 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.7 | -43.8 | 174.1 | -70.1 | 177.1 | -163 | 152.5 | 2.3 | 111.7 | E90 A91 Q97 M98 | E90-R94 WeakPolarHBondContact O-CG 3.45Å; E90-R94 PolarHBondContact O-N 3Å; E90-R94 IonicContact OE1-CZ 2.78Å; E90-R94 IonicContact OE1-NE 3.59Å; E90-R94 IonicContact OE1-NH2 3.35Å; E90-R94 PolarHBondContact OE1-NH2 2.84Å; E90-R94 IonicContact OE2-NH2 3.86Å; E90-R94 PolarHBondContact OE2-NH2 2.92Å; E90-R94 VanDerWaalsContact OE2-NH2 3.15Å; A91-R94 PolarHBondContact O-N 3.49Å; R94-Q97 PolarHBondContact O-N 2.77Å; R94-M98 WeakPolarHBondContact O-CB 3.3Å; R94-M98 PolarHBondContact O-N 2.97Å |
| 95 | A | 95.5 | Very high | 93.8 | Very high | 47 Ų | 47 | 109.2 Ų | 109.2 | 39% | 0.388 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A91 R92 Q97 M98 E99 | A91-A95 WeakPolarHBondContact O-CB 3.44Å; A91-A95 PolarHBondContact O-N 2.92Å; R92-A95 PolarHBondContact O-N 3.47Å; A95-Q97 VanDerWaalsContact C-N 3.32Å; A95-Q97 PolarHBondContact O-N 2.82Å; A95-M98 WeakPolarHBondContact O-CB 3.3Å; A95-M98 PolarHBondContact O-N 2.82Å; A95-E99 PolarHBondContact O-N 3.15Å |
| 96 | A | 93.8 | Very high | 93.9 | Very high | 48 Ų | 48 | 108.7 Ų | 108.7 | 40% | 0.397 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.4 | -38 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R92 A93 E99 K100 | R92-A96 WeakPolarHBondContact O-CB 3.43Å; R92-A96 PolarHBondContact O-N 3.4Å; A93-A96 PolarHBondContact O-N 3.35Å; A96-E99 PolarHBondContact O-N 3.5Å; A96-K100 WeakPolarHBondContact O-CG 3.45Å; A96-K100 PolarHBondContact O-N 2.91Å |
| 97 | Q | 90.1 | Very high | 93.9 | Very high | 111 Ų | 111 | 106.6 Ų | 106.6 | 52% | 0.519 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.3 | -38.8 | 175 | -172.2 | 63.5 | 6 | 0 | 0 | 112.1 | A93 R94 A95 E99 K100 T101 | A93-Q97 WeakPolarHBondContact O-CB 3.49Å; A93-Q97 PolarHBondContact O-N 3.06Å; R94-Q97 PolarHBondContact O-N 2.77Å; A95-Q97 VanDerWaalsContact C-N 3.32Å; A95-Q97 PolarHBondContact O-N 2.82Å; Q97-E99 VanDerWaalsContact C-N 3.34Å; Q97-K100 PolarHBondContact O-N 3.41Å; Q97-T101 PolarHBondContact O-N 3.16Å; Q97-T101 PolarHBondContact O-OG1 3.43Å |
| 98 | M | 94.9 | Very high | 93.9 | Very high | 128 Ų | 128 | 103.5 Ų | 103.5 | 63% | 0.631 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.7 | -39.5 | 175.4 | -156.9 | 170.7 | 72.8 | 0 | 0 | 111.2 | R94 A95 T101 M102 | R94-M98 WeakPolarHBondContact O-CB 3.3Å; R94-M98 PolarHBondContact O-N 2.97Å; A95-M98 WeakPolarHBondContact O-CB 3.3Å; A95-M98 PolarHBondContact O-N 2.82Å; M98-T101 WeakPolarHBondContact O-CB 3.44Å; M98-T101 PolarHBondContact O-N 3.11Å; M98-M102 WeakPolarHBondContact O-CB 3.41Å; M98-M102 WeakPolarHBondContact O-CG 3.38Å; M98-M102 PolarHBondContact O-N 3.29Å |
| 99 | E | 95.3 | Very high | 93.9 | Very high | 105 Ų | 105 | 102.6 Ų | 102.6 | 49% | 0.491 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.6 | -42 | 173 | -83.5 | -166.5 | -160.5 | 0 | 0 | 113.4 | A95 A96 Q97 T101 M102 R103 | A95-E99 PolarHBondContact O-N 3.15Å; A96-E99 PolarHBondContact O-N 3.5Å; Q97-E99 VanDerWaalsContact C-N 3.34Å; E99-T101 VanDerWaalsContact C-N 3.3Å; E99-T101 PolarHBondContact O-N 3.4Å; E99-M102 PolarHBondContact O-N 3.45Å; E99-R103 WeakPolarHBondContact O-CB 3.33Å; E99-R103 WeakPolarHBondContact O-CG 3.44Å; E99-R103 PolarHBondContact O-N 3.48Å; E99-R103 IonicContact OE2-CZ 3.03Å; E99-R103 IonicContact OE2-NH1 2.89Å; E99-R103 PolarHBondContact OE2-NH1 2.89Å |
| 100 | K | 94.6 | Very high | 93.8 | Very high | 139 Ų | 139 | 99.3 Ų | 99.3 | 60% | 0.604 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.5 | -43.6 | 173.9 | -75.3 | 175.7 | -177.6 | 173.9 | 0 | 111.1 | A96 Q97 R103 W104 | A96-K100 WeakPolarHBondContact O-CG 3.45Å; A96-K100 PolarHBondContact O-N 2.91Å; Q97-K100 PolarHBondContact O-N 3.41Å; K100-R103 PolarHBondContact O-N 3.31Å; K100-W104 WeakPolarHBondContact O-CB 3.39Å; K100-W104 PolarHBondContact O-N 3.32Å |
| 101 | T | 94.9 | Very high | 93.7 | Very high | 63 Ų | 63 | 98 Ų | 98 | 39% | 0.387 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -46 | 178.1 | -53.2 | 0 | 0 | 0 | 0 | 110.8 | Q97 M98 E99 R103 W104 W105 | Q97-T101 PolarHBondContact O-N 3.16Å; Q97-T101 PolarHBondContact O-OG1 3.43Å; M98-T101 WeakPolarHBondContact O-CB 3.44Å; M98-T101 PolarHBondContact O-N 3.11Å; E99-T101 VanDerWaalsContact C-N 3.3Å; E99-T101 PolarHBondContact O-N 3.4Å; T101-R103 PolarHBondContact O-N 3Å; T101-W104 PolarHBondContact O-N 3.19Å; T101-W105 PolarHBondContact O-N 3.37Å |
| 102 | M | 92.8 | Very high | 93.8 | Very high | 132 Ų | 132 | 103.4 Ų | 103.4 | 65% | 0.65 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.7 | -42.8 | 176.5 | -80.4 | -120.1 | -89.5 | 0 | 0 | 112.8 | M98 E99 W105 S106 | M98-M102 WeakPolarHBondContact O-CB 3.41Å; M98-M102 WeakPolarHBondContact O-CG 3.38Å; M98-M102 PolarHBondContact O-N 3.29Å; E99-M102 PolarHBondContact O-N 3.45Å; M102-W105 PolarHBondContact O-N 2.82Å; M102-S106 WeakPolarHBondContact O-CB 3.49Å; M102-S106 PolarHBondContact O-N 3.04Å |
| 103 | R | 92.9 | Very high | 93.8 | Very high | 148 Ų | 148 | 104.5 Ų | 104.5 | 56% | 0.558 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.8 | -44 | 174.7 | -79.7 | 177.5 | 170.4 | 91.1 | -4.8 | 111.6 | E99 K100 T101 W105 S106 D107 | E99-R103 WeakPolarHBondContact O-CB 3.33Å; E99-R103 WeakPolarHBondContact O-CG 3.44Å; E99-R103 PolarHBondContact O-N 3.48Å; E99-R103 IonicContact OE2-CZ 3.03Å; E99-R103 IonicContact OE2-NH1 2.89Å; E99-R103 PolarHBondContact OE2-NH1 2.89Å; K100-R103 PolarHBondContact O-N 3.31Å; T101-R103 PolarHBondContact O-N 3Å; R103-W105 PolarHBondContact O-N 2.75Å; R103-S106 WeakPolarHBondContact O-CB 3.45Å; R103-S106 PolarHBondContact O-N 3.04Å; R103-S106 VanDerWaalsContact O-N 3.15Å; R103-D107 VanDerWaalsContact O-CG 3.31Å; R103-D107 PolarHBondContact O-N 2.84Å |
| 104 | W | 94.4 | Very high | 93.9 | Very high | 147 Ų | 147 | 106.5 Ų | 106.5 | 56% | 0.557 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60 | -44.1 | 176.1 | -178.4 | 77.6 | 0 | 0 | 0 | 112.6 | K100 T101 S106 D107 C108 | K100-W104 WeakPolarHBondContact O-CB 3.39Å; K100-W104 PolarHBondContact O-N 3.32Å; T101-W104 PolarHBondContact O-N 3.19Å; W104-S106 VanDerWaalsContact C-N 3.34Å; W104-S106 PolarHBondContact O-N 2.82Å; W104-D107 PolarHBondContact O-N 3.32Å; W104-C108 VanDerWaalsContact CE2-SG 3.59Å; W104-C108 WeakPolarHBondContact O-CB 3.5Å; W104-C108 PolarHBondContact O-N 3.31Å; W104-C108 PolarHBondContact O-SG 3.36Å |
| 105 | W | 95.4 | Very high | 93.9 | Very high | 152 Ų | 152 | 105 Ų | 105 | 58% | 0.576 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.4 | -38.4 | 174.6 | -74.2 | 114 | 0 | 0 | 0 | 112.8 | T101 M102 R103 T109 | T101-W105 PolarHBondContact O-N 3.37Å; M102-W105 PolarHBondContact O-N 2.82Å; R103-W105 PolarHBondContact O-N 2.75Å; W105-T109 WeakPolarHBondContact O-CB 3.39Å; W105-T109 PolarHBondContact O-N 2.87Å; W105-T109 PolarHBondContact O-OG1 3.48Å |
| 106 | S | 93.8 | Very high | 93.9 | Very high | 74 Ų | 74 | 108.9 Ų | 108.9 | 52% | 0.517 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -48.2 | 175 | -179 | 0 | 0 | 0 | 0 | 111.5 | M102 R103 W104 T109 A110 | M102-S106 WeakPolarHBondContact O-CB 3.49Å; M102-S106 PolarHBondContact O-N 3.04Å; R103-S106 WeakPolarHBondContact O-CB 3.45Å; R103-S106 PolarHBondContact O-N 3.04Å; R103-S106 VanDerWaalsContact O-N 3.15Å; W104-S106 VanDerWaalsContact C-N 3.34Å; W104-S106 PolarHBondContact O-N 2.82Å; S106-T109 WeakPolarHBondContact O-CB 3.3Å; S106-T109 PolarHBondContact O-N 2.92Å; S106-A110 WeakPolarHBondContact O-CB 3.37Å; S106-A110 PolarHBondContact O-N 2.91Å |
| 107 | D | 92.7 | Very high | 94 | Very high | 107 Ų | 107 | 109.4 Ų | 109.4 | 57% | 0.572 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.2 | -41.6 | 179.8 | -67.6 | -19.5 | 0 | 0 | 0 | 111.5 | R103 W104 T109 A110 N111 | R103-D107 VanDerWaalsContact O-CG 3.31Å; R103-D107 PolarHBondContact O-N 2.84Å; W104-D107 PolarHBondContact O-N 3.32Å; D107-T109 VanDerWaalsContact C-N 3.31Å; D107-T109 PolarHBondContact O-N 3.47Å; D107-A110 PolarHBondContact O-N 3.23Å; D107-N111 VanDerWaalsContact O-CB 3.23Å; D107-N111 WeakPolarHBondContact O-CB 3.48Å; D107-N111 PolarHBondContact O-N 2.78Å |
| 108 | C | 92.9 | Very high | 94.3 | Very high | 49 Ų | 49 | 109.7 Ų | 109.7 | 33% | 0.331 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.7 | -45.2 | 172.3 | -78.5 | 0 | 0 | 0 | 0 | 111.5 | W104 W112 | W104-C108 VanDerWaalsContact CE2-SG 3.59Å; W104-C108 WeakPolarHBondContact O-CB 3.5Å; W104-C108 PolarHBondContact O-N 3.31Å; W104-C108 PolarHBondContact O-SG 3.36Å; C108-W112 PolarHBondContact O-N 2.83Å |
| 109 | T | 95.5 | Very high | 94.4 | Very high | 64 Ų | 64 | 108 Ų | 108 | 39% | 0.393 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.2 | -42.7 | 179 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | W105 S106 D107 R113 | W105-T109 WeakPolarHBondContact O-CB 3.39Å; W105-T109 PolarHBondContact O-N 2.87Å; W105-T109 PolarHBondContact O-OG1 3.48Å; S106-T109 WeakPolarHBondContact O-CB 3.3Å; S106-T109 PolarHBondContact O-N 2.92Å; D107-T109 VanDerWaalsContact C-N 3.31Å; D107-T109 PolarHBondContact O-N 3.47Å; T109-R113 WeakPolarHBondContact O-CG 3.41Å; T109-R113 PolarHBondContact O-N 3.38Å |
| 110 | A | 90.3 | Very high | 94.5 | Very high | 51 Ų | 51 | 108.5 Ų | 108.5 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.4 | -47.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S106 D107 W112 R113 E114 | S106-A110 WeakPolarHBondContact O-CB 3.37Å; S106-A110 PolarHBondContact O-N 2.91Å; D107-A110 PolarHBondContact O-N 3.23Å; A110-W112 VanDerWaalsContact C-N 3.34Å; A110-W112 PolarHBondContact O-N 2.94Å; A110-R113 PolarHBondContact O-N 3.47Å; A110-E114 WeakPolarHBondContact O-CB 3.43Å; A110-E114 PolarHBondContact O-N 2.92Å |
| 111 | N | 93.4 | Very high | 94.5 | Very high | 73 Ų | 73 | 104.6 Ų | 104.6 | 39% | 0.39 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 178.4 | -170 | -67.7 | 0 | 0 | 0 | 111.7 | D107 E114 K115 | D107-N111 VanDerWaalsContact O-CB 3.23Å; D107-N111 WeakPolarHBondContact O-CB 3.48Å; D107-N111 PolarHBondContact O-N 2.78Å; N111-E114 PolarHBondContact O-N 3.32Å; N111-K115 WeakPolarHBondContact O-CB 3.38Å; N111-K115 WeakPolarHBondContact O-CG 3.48Å; N111-K115 PolarHBondContact O-N 2.93Å; N111-K115 WeakPolarHBondContact OD1-CD 3.3Å; N111-K115 WeakPolarHBondContact OD1-CE 3.34Å; N111-K115 PolarHBondContact OD1-NZ 3.29Å |
| 112 | W | 94.2 | Very high | 94.5 | Very high | 164 Ų | 164 | 107.5 Ų | 107.5 | 62% | 0.621 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64 | -48.3 | 176.5 | -124.4 | 68.7 | 0 | 0 | 0 | 111.3 | C108 A110 E114 K115 W116 | C108-W112 PolarHBondContact O-N 2.83Å; A110-W112 VanDerWaalsContact C-N 3.34Å; A110-W112 PolarHBondContact O-N 2.94Å; W112-E114 VanDerWaalsContact C-N 3.26Å; W112-E114 PolarHBondContact O-N 2.96Å; W112-K115 PolarHBondContact O-N 2.85Å; W112-W116 AromaticContact CD2-CD1 3.62Å; W112-W116 AromaticContact CD2-NE1 3.35Å; W112-W116 VanDerWaalsContact CD2-NE1 3.35Å; W112-W116 AromaticContact CE2-NE1 3.58Å; W112-W116 AromaticContact CE3-CD1 3.27Å; W112-W116 HydrophobicContact CE3-CG 4.43Å; W112-W116 AromaticContact CE3-NE1 2.98Å; W112-W116 AromaticContact CH2-CE2 3.64Å; W112-W116 AromaticContact CH2-CZ2 3.62Å; W112-W116 HydrophobicContact CH2-CZ2 3.62Å; W112-W116 AromaticContact CH2-NE1 3.13Å; W112-W116 HydrophobicContact CZ2-CZ2 4.34Å; W112-W116 AromaticContact CZ2-NE1 3.48Å; W112-W116 AromaticContact CZ3-CD1 3.63Å; W112-W116 AromaticContact CZ3-CE2 3.53Å; W112-W116 AromaticContact CZ3-CZ2 3.89Å; W112-W116 HydrophobicContact CZ3-CZ2 3.89Å; W112-W116 AromaticContact CZ3-NE1 2.88Å; W112-W116 PolarHBondContact O-N 3.36Å |
| 113 | R | 96.4 | Very high | 94.7 | Very high | 177 Ų | 177 | 106.5 Ų | 106.5 | 67% | 0.668 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -56.1 | -42.9 | 176.7 | -74.4 | -179.7 | -156.8 | -157.7 | 8.6 | 112 | T109 A110 W116 S117 | T109-R113 WeakPolarHBondContact O-CG 3.41Å; T109-R113 PolarHBondContact O-N 3.38Å; A110-R113 PolarHBondContact O-N 3.47Å; R113-W116 PolarHBondContact O-N 3.14Å; R113-S117 WeakPolarHBondContact O-CB 3.48Å; R113-S117 PolarHBondContact O-N 2.76Å |
| 114 | E | 93.4 | Very high | 94.9 | Very high | 104 Ų | 104 | 102.7 Ų | 102.7 | 49% | 0.486 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.4 | -47.4 | -179.8 | -154.1 | -165.6 | 155 | 0 | 0 | 111.5 | A110 N111 W112 W116 S117 K118 | A110-E114 WeakPolarHBondContact O-CB 3.43Å; A110-E114 PolarHBondContact O-N 2.92Å; N111-E114 PolarHBondContact O-N 3.32Å; W112-E114 VanDerWaalsContact C-N 3.26Å; W112-E114 PolarHBondContact O-N 2.96Å; E114-W116 PolarHBondContact O-N 3.49Å; E114-S117 WeakPolarHBondContact O-CB 3.4Å; E114-S117 PolarHBondContact O-N 3.07Å; E114-K118 WeakPolarHBondContact O-CG 3.34Å; E114-K118 PolarHBondContact O-N 3.44Å; E114-K118 VanDerWaalsContact OE1-CE 3.27Å; E114-K118 WeakPolarHBondContact OE1-CE 3.37Å; E114-K118 IonicContact OE1-NZ 3.79Å; E114-K118 PolarHBondContact OE1-NZ 3.33Å |
| 115 | K | 94.4 | Very high | 95.1 | Very high | 121 Ų | 121 | 103.1 Ų | 103.1 | 53% | 0.526 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.9 | -46.6 | 174.8 | -78.6 | 174.9 | 175.5 | 159.6 | 0 | 112 | N111 W112 S117 K118 V119 | N111-K115 WeakPolarHBondContact O-CB 3.38Å; N111-K115 WeakPolarHBondContact O-CG 3.48Å; N111-K115 PolarHBondContact O-N 2.93Å; N111-K115 WeakPolarHBondContact OD1-CD 3.3Å; N111-K115 WeakPolarHBondContact OD1-CE 3.34Å; N111-K115 PolarHBondContact OD1-NZ 3.29Å; W112-K115 PolarHBondContact O-N 2.85Å; K115-S117 VanDerWaalsContact C-N 3.34Å; K115-S117 PolarHBondContact O-N 3.05Å; K115-K118 PolarHBondContact O-N 2.85Å; K115-V119 WeakPolarHBondContact O-CG2 3.48Å; K115-V119 PolarHBondContact O-N 2.84Å |
| 116 | W | 96.3 | Very high | 95 | Very high | 130 Ų | 130 | 98 Ų | 98 | 49% | 0.492 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.4 | -33.5 | 177.6 | -80.8 | 95.2 | 0 | 0 | 0 | 113 | W112 R113 E114 R120 | W112-W116 AromaticContact CD2-CD1 3.62Å; W112-W116 AromaticContact CD2-NE1 3.35Å; W112-W116 VanDerWaalsContact CD2-NE1 3.35Å; W112-W116 AromaticContact CE2-NE1 3.58Å; W112-W116 AromaticContact CE3-CD1 3.27Å; W112-W116 HydrophobicContact CE3-CG 4.43Å; W112-W116 AromaticContact CE3-NE1 2.98Å; W112-W116 AromaticContact CH2-CE2 3.64Å; W112-W116 AromaticContact CH2-CZ2 3.62Å; W112-W116 HydrophobicContact CH2-CZ2 3.62Å; W112-W116 AromaticContact CH2-NE1 3.13Å; W112-W116 HydrophobicContact CZ2-CZ2 4.34Å; W112-W116 AromaticContact CZ2-NE1 3.48Å; W112-W116 AromaticContact CZ3-CD1 3.63Å; W112-W116 AromaticContact CZ3-CE2 3.53Å; W112-W116 AromaticContact CZ3-CZ2 3.89Å; W112-W116 HydrophobicContact CZ3-CZ2 3.89Å; W112-W116 AromaticContact CZ3-NE1 2.88Å; W112-W116 PolarHBondContact O-N 3.36Å; R113-W116 PolarHBondContact O-N 3.14Å; E114-W116 PolarHBondContact O-N 3.49Å; W116-R120 VanDerWaalsContact O-CB 3.31Å; W116-R120 WeakPolarHBondContact O-CB 3.46Å; W116-R120 VanDerWaalsContact O-CG 3.26Å; W116-R120 WeakPolarHBondContact O-CG 3.24Å; W116-R120 PolarHBondContact O-N 2.8Å; W116-R120 PolarHBondContact O-NE 2.93Å |
| 117 | S | 96.1 | Very high | 95.1 | Very high | 58 Ų | 58 | 100.5 Ų | 100.5 | 41% | 0.406 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 170.4 | -99.1 | 0 | 0 | 0 | 0 | 111.5 | R113 E114 K115 R120 A121 | R113-S117 WeakPolarHBondContact O-CB 3.48Å; R113-S117 PolarHBondContact O-N 2.76Å; E114-S117 WeakPolarHBondContact O-CB 3.4Å; E114-S117 PolarHBondContact O-N 3.07Å; K115-S117 VanDerWaalsContact C-N 3.34Å; K115-S117 PolarHBondContact O-N 3.05Å; S117-R120 PolarHBondContact O-N 3.44Å; S117-R120 PolarHBondContact OG-NH2 3.39Å; S117-A121 WeakPolarHBondContact O-CB 3.31Å; S117-A121 PolarHBondContact O-N 2.89Å |
| 118 | K | 95.5 | Very high | 95.3 | Very high | 117 Ų | 117 | 99 Ų | 99 | 51% | 0.509 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.8 | -50.9 | 176.6 | -72.8 | 173.7 | -175.8 | 167.1 | 0 | 111.3 | E114 K115 R120 A121 E122 | E114-K118 WeakPolarHBondContact O-CG 3.34Å; E114-K118 PolarHBondContact O-N 3.44Å; E114-K118 VanDerWaalsContact OE1-CE 3.27Å; E114-K118 WeakPolarHBondContact OE1-CE 3.37Å; E114-K118 IonicContact OE1-NZ 3.79Å; E114-K118 PolarHBondContact OE1-NZ 3.33Å; K115-K118 PolarHBondContact O-N 2.85Å; K118-R120 VanDerWaalsContact C-N 3.31Å; K118-R120 PolarHBondContact O-N 2.96Å; K118-A121 WeakPolarHBondContact O-CB 3.31Å; K118-A121 PolarHBondContact O-N 3.23Å; K118-A121 VanDerWaalsContact O-N 3.11Å; K118-E122 WeakPolarHBondContact O-CG 3.31Å; K118-E122 PolarHBondContact O-N 3.24Å |
| 119 | V | 97.3 | Very high | 95.5 | Very high | 94 Ų | 94 | 101.2 Ų | 101.2 | 57% | 0.57 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -59.3 | -41.6 | 176.9 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | K115 R123 | K115-V119 WeakPolarHBondContact O-CG2 3.48Å; K115-V119 PolarHBondContact O-N 2.84Å; V119-R123 VanDerWaalsContact O-CB 3.26Å; V119-R123 WeakPolarHBondContact O-CB 3.37Å; V119-R123 PolarHBondContact O-N 2.85Å |
| 120 | R | 96.6 | Very high | 95.5 | Very high | 115 Ų | 115 | 102.2 Ų | 102.2 | 43% | 0.434 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.3 | -39.6 | 175.8 | -78.8 | -177.3 | -71.3 | 120.9 | -0.3 | 112.4 | W116 S117 K118 N124 | W116-R120 VanDerWaalsContact O-CB 3.31Å; W116-R120 WeakPolarHBondContact O-CB 3.46Å; W116-R120 VanDerWaalsContact O-CG 3.26Å; W116-R120 WeakPolarHBondContact O-CG 3.24Å; W116-R120 PolarHBondContact O-N 2.8Å; W116-R120 PolarHBondContact O-NE 2.93Å; S117-R120 PolarHBondContact O-N 3.44Å; S117-R120 PolarHBondContact OG-NH2 3.39Å; K118-R120 VanDerWaalsContact C-N 3.31Å; K118-R120 PolarHBondContact O-N 2.96Å; R120-N124 WeakPolarHBondContact O-CB 3.46Å; R120-N124 PolarHBondContact O-N 2.91Å; R120-N124 PolarHBondContact O-ND2 3.4Å; R120-N124 PolarHBondContact O-OD1 3.46Å |
| 121 | A | 95.1 | Very high | 95.9 | Very high | 56 Ų | 56 | 106.5 Ų | 106.5 | 46% | 0.463 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.2 | -49.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111 | S117 K118 R123 N124 R125 | S117-A121 WeakPolarHBondContact O-CB 3.31Å; S117-A121 PolarHBondContact O-N 2.89Å; K118-A121 WeakPolarHBondContact O-CB 3.31Å; K118-A121 PolarHBondContact O-N 3.23Å; K118-A121 VanDerWaalsContact O-N 3.11Å; A121-R123 PolarHBondContact O-N 2.89Å; A121-N124 PolarHBondContact O-N 3.49Å; A121-N124 VanDerWaalsContact O-N 3.13Å; A121-R125 WeakPolarHBondContact O-CB 3.25Å; A121-R125 PolarHBondContact O-N 2.83Å |
| 122 | E | 96.1 | Very high | 96.1 | Very high | 125 Ų | 125 | 107.7 Ų | 107.7 | 58% | 0.584 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -58.3 | -47.8 | 175.5 | -71.9 | -57.2 | 141.5 | 0 | 0 | 111.8 | K118 N124 R125 A126 | K118-E122 WeakPolarHBondContact O-CG 3.31Å; K118-E122 PolarHBondContact O-N 3.24Å; E122-N124 VanDerWaalsContact C-N 3.29Å; E122-N124 PolarHBondContact O-N 3.38Å; E122-R125 WeakPolarHBondContact O-CB 3.38Å; E122-R125 PolarHBondContact O-N 3.49Å; E122-A126 WeakPolarHBondContact O-CB 3.49Å; E122-A126 PolarHBondContact O-N 3.4Å |
| 123 | R | 97.1 | Very high | 96.2 | Very high | 110 Ų | 110 | 104.9 Ų | 104.9 | 42% | 0.415 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58 | -41.6 | 175 | 179.2 | -151.5 | 64.4 | -169.8 | -3.3 | 112 | V119 A121 R127 | V119-R123 VanDerWaalsContact O-CB 3.26Å; V119-R123 WeakPolarHBondContact O-CB 3.37Å; V119-R123 PolarHBondContact O-N 2.85Å; A121-R123 PolarHBondContact O-N 2.89Å; R123-R127 WeakPolarHBondContact O-CG 3.45Å; R123-R127 PolarHBondContact O-N 2.94Å; R123-R127 VanDerWaalsContact O-N 3.13Å |
| 124 | N | 96.9 | Very high | 96.2 | Very high | 68 Ų | 68 | 104.6 Ų | 104.6 | 36% | 0.364 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.2 | -43.1 | 178.1 | -73.2 | -5.5 | 0 | 0 | 0 | 111 | R120 A121 E122 A126 R127 D128 | R120-N124 WeakPolarHBondContact O-CB 3.46Å; R120-N124 PolarHBondContact O-N 2.91Å; R120-N124 PolarHBondContact O-ND2 3.4Å; R120-N124 PolarHBondContact O-OD1 3.46Å; A121-N124 PolarHBondContact O-N 3.49Å; A121-N124 VanDerWaalsContact O-N 3.13Å; E122-N124 VanDerWaalsContact C-N 3.29Å; E122-N124 PolarHBondContact O-N 3.38Å; N124-A126 PolarHBondContact O-N 2.97Å; N124-R127 CarbonylContact O-C 3.56Å; N124-R127 WeakPolarHBondContact O-CA 3.37Å; N124-R127 WeakPolarHBondContact O-CB 3.48Å; N124-R127 PolarHBondContact O-N 3.37Å; N124-R127 VanDerWaalsContact O-N 3.09Å; N124-D128 VanDerWaalsContact O-CG 3.23Å; N124-D128 PolarHBondContact O-N 3.49Å |
| 125 | R | 97.1 | Very high | 96.5 | Very high | 157 Ų | 157 | 106.2 Ų | 106.2 | 59% | 0.592 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -58.8 | -48.4 | 177 | -160.3 | -176.8 | -164.3 | 101.2 | 2.9 | 111.6 | A121 E122 R127 D128 E129 | A121-R125 WeakPolarHBondContact O-CB 3.25Å; A121-R125 PolarHBondContact O-N 2.83Å; E122-R125 WeakPolarHBondContact O-CB 3.38Å; E122-R125 PolarHBondContact O-N 3.49Å; R125-R127 VanDerWaalsContact C-N 3.29Å; R125-R127 PolarHBondContact O-N 3.23Å; R125-D128 PolarHBondContact O-N 3.28Å; R125-E129 IonicContact NE-OE1 3.55Å; R125-E129 WeakPolarHBondContact O-CG 3.46Å; R125-E129 PolarHBondContact O-N 3.44Å |
| 126 | A | 93.4 | Very high | 96.6 | Very high | 43 Ų | 43 | 107.3 Ų | 107.3 | 36% | 0.355 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.2 | -37.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E122 N124 I130 | E122-A126 WeakPolarHBondContact O-CB 3.49Å; E122-A126 PolarHBondContact O-N 3.4Å; N124-A126 PolarHBondContact O-N 2.97Å; A126-I130 WeakPolarHBondContact O-CB 3.46Å; A126-I130 WeakPolarHBondContact O-CD1 3.25Å; A126-I130 WeakPolarHBondContact O-CG1 3.45Å; A126-I130 PolarHBondContact O-N 3.31Å |
| 127 | R | 96.6 | Very high | 96.6 | Very high | 128 Ų | 128 | 106.3 Ų | 106.3 | 48% | 0.483 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66 | -40 | 173.5 | -76.8 | 174.2 | 176 | 170.2 | -3.3 | 112 | R123 N124 R125 I130 R131 | R123-R127 WeakPolarHBondContact O-CG 3.45Å; R123-R127 PolarHBondContact O-N 2.94Å; R123-R127 VanDerWaalsContact O-N 3.13Å; N124-R127 CarbonylContact O-C 3.56Å; N124-R127 WeakPolarHBondContact O-CA 3.37Å; N124-R127 WeakPolarHBondContact O-CB 3.48Å; N124-R127 PolarHBondContact O-N 3.37Å; N124-R127 VanDerWaalsContact O-N 3.09Å; R125-R127 VanDerWaalsContact C-N 3.29Å; R125-R127 PolarHBondContact O-N 3.23Å; R127-I130 PolarHBondContact O-N 2.92Å; R127-R131 WeakPolarHBondContact O-CG 3.42Å; R127-R131 PolarHBondContact O-N 3.47Å; R127-R131 PolarHBondContact O-NH1 3.17Å |
| 128 | D | 97.1 | Very high | 96.7 | Very high | 76 Ų | 76 | 108 Ų | 108 | 41% | 0.406 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66 | -44.3 | 177.5 | -63 | -22 | 0 | 0 | 0 | 110.8 | N124 R125 I130 R131 Q132 | N124-D128 VanDerWaalsContact O-CG 3.23Å; N124-D128 PolarHBondContact O-N 3.49Å; R125-D128 PolarHBondContact O-N 3.28Å; D128-I130 PolarHBondContact O-N 3.13Å; D128-R131 VanDerWaalsContact CA-NH1 3.27Å; D128-R131 PolarHBondContact O-N 2.81Å; D128-R131 VanDerWaalsContact O-N 3.16Å; D128-R131 IonicContact OD1-CZ 3.84Å; D128-R131 IonicContact OD1-NH1 2.81Å; D128-R131 PolarHBondContact OD1-NH1 2.78Å; D128-R131 IonicContact OD1-NH2 3.61Å; D128-Q132 WeakPolarHBondContact O-CG 3.43Å; D128-Q132 PolarHBondContact O-N 3.33Å |
| 129 | E | 97.1 | Very high | 96.8 | Very high | 95 Ų | 95 | 105.4 Ų | 105.4 | 44% | 0.444 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 173.5 | -72.3 | 168.6 | -168.3 | 0 | 0 | 111.9 | R125 R131 Q132 L133 | R125-E129 IonicContact NE-OE1 3.55Å; R125-E129 WeakPolarHBondContact O-CG 3.46Å; R125-E129 PolarHBondContact O-N 3.44Å; E129-R131 VanDerWaalsContact C-N 3.31Å; E129-R131 PolarHBondContact O-N 3.26Å; E129-Q132 PolarHBondContact O-N 2.81Å; E129-L133 WeakPolarHBondContact O-CB 3.39Å; E129-L133 VanDerWaalsContact O-CG 3.29Å; E129-L133 WeakPolarHBondContact O-CG 3.26Å; E129-L133 PolarHBondContact O-N 3.43Å |
| 130 | I | 95.7 | Very high | 96.7 | Very high | 85 Ų | 85 | 106.1 Ų | 106.1 | 44% | 0.436 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.7 | -42 | 174.8 | -71.5 | 165 | 0 | 0 | 0 | 111 | A126 R127 D128 L133 R134 | A126-I130 WeakPolarHBondContact O-CB 3.46Å; A126-I130 WeakPolarHBondContact O-CD1 3.25Å; A126-I130 WeakPolarHBondContact O-CG1 3.45Å; A126-I130 PolarHBondContact O-N 3.31Å; R127-I130 PolarHBondContact O-N 2.92Å; D128-I130 PolarHBondContact O-N 3.13Å; I130-L133 PolarHBondContact O-N 3.48Å; I130-R134 WeakPolarHBondContact O-CB 3.44Å; I130-R134 VanDerWaalsContact O-CG 3.27Å; I130-R134 WeakPolarHBondContact O-CG 3.49Å; I130-R134 PolarHBondContact O-N 3.46Å |
| 131 | R | 97.8 | Very high | 96.7 | Very high | 141 Ų | 141 | 104 Ų | 104 | 53% | 0.532 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 176.8 | -72.2 | -170.2 | -142 | 85.9 | -16.4 | 111.4 | R127 D128 E129 R134 Q135 | R127-R131 WeakPolarHBondContact O-CG 3.42Å; R127-R131 PolarHBondContact O-N 3.47Å; R127-R131 PolarHBondContact O-NH1 3.17Å; D128-R131 VanDerWaalsContact CA-NH1 3.27Å; D128-R131 PolarHBondContact O-N 2.81Å; D128-R131 VanDerWaalsContact O-N 3.16Å; D128-R131 IonicContact OD1-CZ 3.84Å; D128-R131 IonicContact OD1-NH1 2.81Å; D128-R131 PolarHBondContact OD1-NH1 2.78Å; D128-R131 IonicContact OD1-NH2 3.61Å; E129-R131 VanDerWaalsContact C-N 3.31Å; E129-R131 PolarHBondContact O-N 3.26Å; R131-R134 PolarHBondContact O-N 3.35Å; R131-Q135 PolarHBondContact O-N 3.2Å |
| 132 | Q | 97.9 | Very high | 96.9 | Very high | 98 Ų | 98 | 108.3 Ų | 108.3 | 46% | 0.458 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 176.7 | -71.7 | 176.4 | 10 | 0 | 0 | 112 | D128 E129 R134 Q135 R136 | D128-Q132 WeakPolarHBondContact O-CG 3.43Å; D128-Q132 PolarHBondContact O-N 3.33Å; E129-Q132 PolarHBondContact O-N 2.81Å; Q132-R134 VanDerWaalsContact C-N 3.34Å; Q132-R134 PolarHBondContact O-N 2.78Å; Q132-Q135 PolarHBondContact O-N 2.97Å; Q132-R136 WeakPolarHBondContact O-CG 3.4Å; Q132-R136 PolarHBondContact O-N 3.17Å |
| 133 | L | 96.3 | Very high | 96.9 | Very high | 104 Ų | 104 | 107.9 Ų | 107.9 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.7 | -40 | 178 | -71.6 | 174.1 | 0 | 0 | 0 | 111.7 | E129 I130 R136 L137 | E129-L133 WeakPolarHBondContact O-CB 3.39Å; E129-L133 VanDerWaalsContact O-CG 3.29Å; E129-L133 WeakPolarHBondContact O-CG 3.26Å; E129-L133 PolarHBondContact O-N 3.43Å; I130-L133 PolarHBondContact O-N 3.48Å; L133-R136 PolarHBondContact O-N 2.92Å; L133-L137 WeakPolarHBondContact O-CB 3.47Å; L133-L137 PolarHBondContact O-N 2.99Å |
| 134 | R | 97.1 | Very high | 96.8 | Very high | 171 Ų | 171 | 106.6 Ų | 106.6 | 65% | 0.645 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.8 | -45.9 | 172.7 | -74.9 | 175.4 | -178 | -162.3 | -0.2 | 111.6 | I130 R131 Q132 R136 L137 D138 | I130-R134 WeakPolarHBondContact O-CB 3.44Å; I130-R134 VanDerWaalsContact O-CG 3.27Å; I130-R134 WeakPolarHBondContact O-CG 3.49Å; I130-R134 PolarHBondContact O-N 3.46Å; R131-R134 PolarHBondContact O-N 3.35Å; Q132-R134 VanDerWaalsContact C-N 3.34Å; Q132-R134 PolarHBondContact O-N 2.78Å; R134-R136 VanDerWaalsContact C-N 3.35Å; R134-R136 PolarHBondContact O-N 2.81Å; R134-L137 PolarHBondContact O-N 3.11Å; R134-D138 PolarHBondContact O-N 3.11Å |
| 135 | Q | 98.1 | Very high | 96.8 | Very high | 138 Ų | 138 | 106.5 Ų | 106.5 | 65% | 0.645 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.7 | -37.8 | 178.6 | -166.5 | 174.4 | 11 | 0 | 0 | 112.6 | R131 Q132 D138 T139 | R131-Q135 PolarHBondContact O-N 3.2Å; Q132-Q135 PolarHBondContact O-N 2.97Å; Q135-D138 PolarHBondContact O-N 2.92Å; Q135-T139 PolarHBondContact O-N 3.17Å; Q135-T139 PolarHBondContact O-OG1 2.83Å |
| 136 | R | 97.6 | Very high | 96.8 | Very high | 144 Ų | 144 | 99.3 Ų | 99.3 | 54% | 0.543 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 172.2 | -74.5 | 179.3 | -174.8 | 155.6 | 3.6 | 112.2 | Q132 L133 R134 T139 L140 | Q132-R136 WeakPolarHBondContact O-CG 3.4Å; Q132-R136 PolarHBondContact O-N 3.17Å; L133-R136 PolarHBondContact O-N 2.92Å; R134-R136 VanDerWaalsContact C-N 3.35Å; R134-R136 PolarHBondContact O-N 2.81Å; R136-T139 VanDerWaalsContact C-OG1 3.31Å; R136-T139 WeakPolarHBondContact CA-OG1 3.43Å; R136-T139 PolarHBondContact O-N 3.45Å; R136-T139 PolarHBondContact O-OG1 3.08Å; R136-L140 WeakPolarHBondContact O-CB 3.48Å; R136-L140 WeakPolarHBondContact O-CG 3.46Å; R136-L140 PolarHBondContact O-N 3.21Å |
| 137 | L | 96.2 | Very high | 96.9 | Very high | 110 Ų | 110 | 101.5 Ų | 101.5 | 58% | 0.576 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.1 | -41.8 | 176.2 | -174.5 | 137.9 | 0 | 0 | 0 | 111.3 | L133 R134 T139 T141 | L133-L137 WeakPolarHBondContact O-CB 3.47Å; L133-L137 PolarHBondContact O-N 2.99Å; R134-L137 PolarHBondContact O-N 3.11Å; L137-T139 PolarHBondContact O-N 2.92Å; L137-T141 VanDerWaalsContact O-CB 3.23Å; L137-T141 WeakPolarHBondContact O-CB 3.31Å; L137-T141 PolarHBondContact O-N 3.18Å; L137-T141 PolarHBondContact O-OG1 3.41Å |
| 138 | D | 97.5 | Very high | 96.9 | Very high | 92 Ų | 92 | 102.1 Ų | 102.1 | 49% | 0.492 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64 | -39.2 | 176.6 | -70.8 | -21 | 0 | 0 | 0 | 112.2 | R134 Q135 K142 | R134-D138 PolarHBondContact O-N 3.11Å; Q135-D138 PolarHBondContact O-N 2.92Å; D138-K142 VanDerWaalsContact O-CG 3.29Å; D138-K142 WeakPolarHBondContact O-CG 3.35Å; D138-K142 PolarHBondContact O-N 3.29Å |
| 139 | T | 97.6 | Very high | 96.8 | Very high | 63 Ų | 63 | 105.1 Ų | 105.1 | 39% | 0.387 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.6 | -51 | 176.9 | 36 | 0 | 0 | 0 | 0 | 111.6 | Q135 R136 L137 T141 K142 E143 | Q135-T139 PolarHBondContact O-N 3.17Å; Q135-T139 PolarHBondContact O-OG1 2.83Å; R136-T139 VanDerWaalsContact C-OG1 3.31Å; R136-T139 WeakPolarHBondContact CA-OG1 3.43Å; R136-T139 PolarHBondContact O-N 3.45Å; R136-T139 PolarHBondContact O-OG1 3.08Å; L137-T139 PolarHBondContact O-N 2.92Å; T139-T141 PolarHBondContact O-N 3.22Å; T139-K142 WeakPolarHBondContact O-CB 3.2Å; T139-K142 PolarHBondContact O-N 3Å; T139-E143 WeakPolarHBondContact O-CG 3.33Å; T139-E143 PolarHBondContact O-N 2.68Å |
| 140 | L | 96 | Very high | 96.8 | Very high | 110 Ų | 110 | 105.6 Ų | 105.6 | 58% | 0.576 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.1 | -35.1 | 175.1 | -71 | 173.6 | 0 | 0 | 0 | 112.4 | R136 E143 L144 | R136-L140 WeakPolarHBondContact O-CB 3.48Å; R136-L140 WeakPolarHBondContact O-CG 3.46Å; R136-L140 PolarHBondContact O-N 3.21Å; L140-E143 PolarHBondContact O-N 3.45Å; L140-L144 VanDerWaalsContact O-CB 3.24Å; L140-L144 WeakPolarHBondContact O-CB 3.42Å; L140-L144 PolarHBondContact O-N 2.94Å |
| 141 | T | 97.2 | Very high | 96.7 | Very high | 69 Ų | 69 | 109.8 Ų | 109.8 | 42% | 0.423 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65 | -43.6 | 175.1 | -60.3 | 0 | 0 | 0 | 0 | 110.9 | L137 T139 L144 T145 | L137-T141 VanDerWaalsContact O-CB 3.23Å; L137-T141 WeakPolarHBondContact O-CB 3.31Å; L137-T141 PolarHBondContact O-N 3.18Å; L137-T141 PolarHBondContact O-OG1 3.41Å; T139-T141 PolarHBondContact O-N 3.22Å; T141-L144 PolarHBondContact O-N 2.9Å; T141-T145 WeakPolarHBondContact O-CG2 3.49Å; T141-T145 PolarHBondContact O-N 2.87Å; T141-T145 PolarHBondContact O-OG1 3.33Å |
| 142 | K | 98 | Very high | 96.6 | Very high | 147 Ų | 147 | 108.2 Ų | 108.2 | 64% | 0.639 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.3 | -46.1 | 175.3 | -74.1 | 170.1 | -176.9 | 177.9 | 0 | 111.6 | D138 T139 L144 T145 G146 | D138-K142 VanDerWaalsContact O-CG 3.29Å; D138-K142 WeakPolarHBondContact O-CG 3.35Å; D138-K142 PolarHBondContact O-N 3.29Å; T139-K142 WeakPolarHBondContact O-CB 3.2Å; T139-K142 PolarHBondContact O-N 3Å; K142-L144 PolarHBondContact O-N 3.45Å; K142-T145 WeakPolarHBondContact CA-OG1 3.48Å; K142-T145 PolarHBondContact O-N 3.44Å; K142-T145 PolarHBondContact O-OG1 3.42Å; K142-G146 PolarHBondContact O-N 3.41Å |
| 143 | E | 97.1 | Very high | 96.5 | Very high | 117 Ų | 117 | 108.6 Ų | 108.6 | 55% | 0.547 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.1 | -47 | 175.7 | -71.5 | 170.9 | -167.9 | 0 | 0 | 111.5 | T139 L140 T145 G146 V147 | T139-E143 WeakPolarHBondContact O-CG 3.33Å; T139-E143 PolarHBondContact O-N 2.68Å; L140-E143 PolarHBondContact O-N 3.45Å; E143-T145 VanDerWaalsContact C-N 3.3Å; E143-T145 PolarHBondContact O-N 3.39Å; E143-G146 CarbonylContact O-C 3.51Å; E143-G146 WeakPolarHBondContact O-CA 3.41Å; E143-G146 PolarHBondContact O-N 2.86Å; E143-V147 WeakPolarHBondContact O-CG2 3.39Å; E143-V147 PolarHBondContact O-N 2.92Å |
| 144 | L | 94.3 | Very high | 96.4 | Very high | 83 Ų | 83 | 108.3 Ų | 108.3 | 44% | 0.435 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.9 | -39.8 | 176.6 | -178 | 66.1 | 0 | 0 | 0 | 112.1 | L140 T141 K142 G146 R148 | L140-L144 VanDerWaalsContact O-CB 3.24Å; L140-L144 WeakPolarHBondContact O-CB 3.42Å; L140-L144 PolarHBondContact O-N 2.94Å; T141-L144 PolarHBondContact O-N 2.9Å; K142-L144 PolarHBondContact O-N 3.45Å; L144-G146 VanDerWaalsContact C-N 3.33Å; L144-R148 WeakPolarHBondContact O-CB 3.34Å; L144-R148 VanDerWaalsContact O-CG 3.27Å; L144-R148 WeakPolarHBondContact O-CG 3.33Å; L144-R148 PolarHBondContact O-N 2.72Å |
| 145 | T | 96.8 | Very high | 96.2 | Very high | 65 Ų | 65 | 102.5 Ų | 102.5 | 40% | 0.399 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.9 | -31.9 | 173.2 | 59.1 | 0 | 0 | 0 | 0 | 112.7 | T141 K142 E143 R149 | T141-T145 WeakPolarHBondContact O-CG2 3.49Å; T141-T145 PolarHBondContact O-N 2.87Å; T141-T145 PolarHBondContact O-OG1 3.33Å; K142-T145 WeakPolarHBondContact CA-OG1 3.48Å; K142-T145 PolarHBondContact O-N 3.44Å; K142-T145 PolarHBondContact O-OG1 3.42Å; E143-T145 VanDerWaalsContact C-N 3.3Å; E143-T145 PolarHBondContact O-N 3.39Å; T145-R149 PolarHBondContact O-N 2.88Å; T145-R149 VanDerWaalsContact O-N 3.11Å |
| 146 | G | 97.4 | Very high | 96.1 | Very high | 7 Ų | 7 | 99.7 Ų | 99.7 | 7% | 0.072 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -63.2 | -55.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K142 E143 L144 R148 R149 E150 | K142-G146 PolarHBondContact O-N 3.41Å; E143-G146 CarbonylContact O-C 3.51Å; E143-G146 WeakPolarHBondContact O-CA 3.41Å; E143-G146 PolarHBondContact O-N 2.86Å; L144-G146 VanDerWaalsContact C-N 3.33Å; G146-R148 PolarHBondContact O-N 2.87Å; G146-R149 WeakPolarHBondContact O-CA 3.47Å; G146-R149 WeakPolarHBondContact O-CB 3.47Å; G146-R149 PolarHBondContact O-N 3.08Å; G146-E150 PolarHBondContact O-N 3.23Å |
| 147 | V | 95.6 | Very high | 95.9 | Very high | 88 Ų | 88 | 98.1 Ų | 98.1 | 53% | 0.533 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.2 | -37.2 | 176.9 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | E143 E150 R151 | E143-V147 WeakPolarHBondContact O-CG2 3.39Å; E143-V147 PolarHBondContact O-N 2.92Å; V147-E150 PolarHBondContact O-N 3.4Å; V147-R151 VanDerWaalsContact O-CB 3.28Å; V147-R151 WeakPolarHBondContact O-CB 3.47Å; V147-R151 PolarHBondContact O-N 3.3Å |
| 148 | R | 95.9 | Very high | 95.6 | Very high | 142 Ų | 142 | 96.3 Ų | 96.3 | 54% | 0.536 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.2 | -39.4 | 174.8 | -80.3 | 178.9 | -176.5 | 135.5 | -0.1 | 113 | L144 G146 Q152 | L144-R148 WeakPolarHBondContact O-CB 3.34Å; L144-R148 VanDerWaalsContact O-CG 3.27Å; L144-R148 WeakPolarHBondContact O-CG 3.33Å; L144-R148 PolarHBondContact O-N 2.72Å; G146-R148 PolarHBondContact O-N 2.87Å; R148-Q152 WeakPolarHBondContact O-CB 3.49Å; R148-Q152 PolarHBondContact O-N 2.84Å; R148-Q152 VanDerWaalsContact O-N 3.11Å |
| 149 | R | 96.4 | Very high | 95.4 | Very high | 139 Ų | 139 | 96.3 Ų | 96.3 | 53% | 0.525 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.8 | -49.5 | 174.4 | -94.1 | -171.2 | -66.1 | 90.5 | 0.8 | 111.1 | T145 G146 R151 Q152 E153 | T145-R149 PolarHBondContact O-N 2.88Å; T145-R149 VanDerWaalsContact O-N 3.11Å; G146-R149 WeakPolarHBondContact O-CA 3.47Å; G146-R149 WeakPolarHBondContact O-CB 3.47Å; G146-R149 PolarHBondContact O-N 3.08Å; R149-R151 VanDerWaalsContact C-N 3.28Å; R149-R151 PolarHBondContact O-N 3.4Å; R149-Q152 CarbonylContact O-C 3.58Å; R149-Q152 WeakPolarHBondContact O-CA 3.35Å; R149-Q152 WeakPolarHBondContact O-CB 3.3Å; R149-Q152 PolarHBondContact O-N 2.94Å; R149-E153 WeakPolarHBondContact O-CG 3.43Å; R149-E153 PolarHBondContact O-N 3.18Å |
| 150 | E | 95.5 | Very high | 95.1 | Very high | 104 Ų | 104 | 95.8 Ų | 95.8 | 49% | 0.486 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -56.6 | -43.2 | 177.2 | -71.2 | 165.4 | -161.2 | 0 | 0 | 111.2 | G146 V147 Q152 E153 L154 | G146-E150 PolarHBondContact O-N 3.23Å; V147-E150 PolarHBondContact O-N 3.4Å; E150-Q152 VanDerWaalsContact C-N 3.29Å; E150-Q152 PolarHBondContact O-N 3Å; E150-E153 PolarHBondContact O-N 3.48Å; E150-L154 WeakPolarHBondContact O-CB 3.45Å; E150-L154 VanDerWaalsContact O-CG 3.32Å; E150-L154 WeakPolarHBondContact O-CG 3.43Å; E150-L154 PolarHBondContact O-N 3.41Å |
| 151 | R | 95.4 | Very high | 94.8 | Very high | 174 Ų | 174 | 94.7 Ų | 94.7 | 66% | 0.657 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.2 | -39.3 | 173.7 | -164.5 | -163.7 | 85.6 | -177 | 7 | 112.3 | V147 R149 A155 | V147-R151 VanDerWaalsContact O-CB 3.28Å; V147-R151 WeakPolarHBondContact O-CB 3.47Å; V147-R151 PolarHBondContact O-N 3.3Å; R149-R151 VanDerWaalsContact C-N 3.28Å; R149-R151 PolarHBondContact O-N 3.4Å; R151-A155 VanDerWaalsContact O-CB 3.24Å; R151-A155 WeakPolarHBondContact O-CB 3.42Å; R151-A155 PolarHBondContact O-N 3.33Å |
| 152 | Q | 95.1 | Very high | 94.4 | Very high | 108 Ų | 108 | 97.6 Ų | 97.6 | 51% | 0.505 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69.7 | -42 | 178.5 | -173.4 | 62.1 | 32.9 | 0 | 0 | 111.2 | R148 R149 E150 A155 T156 | R148-Q152 WeakPolarHBondContact O-CB 3.49Å; R148-Q152 PolarHBondContact O-N 2.84Å; R148-Q152 VanDerWaalsContact O-N 3.11Å; R149-Q152 CarbonylContact O-C 3.58Å; R149-Q152 WeakPolarHBondContact O-CA 3.35Å; R149-Q152 WeakPolarHBondContact O-CB 3.3Å; R149-Q152 PolarHBondContact O-N 2.94Å; E150-Q152 VanDerWaalsContact C-N 3.29Å; E150-Q152 PolarHBondContact O-N 3Å; Q152-A155 PolarHBondContact O-N 3.48Å; Q152-T156 WeakPolarHBondContact O-CG2 3.04Å; Q152-T156 PolarHBondContact O-N 2.84Å; Q152-T156 PolarHBondContact O-OG1 2.88Å |
| 153 | E | 95.8 | Very high | 94 | Very high | 105 Ų | 105 | 95.1 Ų | 95.1 | 49% | 0.491 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.8 | -50.3 | 176.1 | -71.3 | 163.2 | -159.4 | 0 | 0 | 110.8 | R149 E150 A155 T156 E157 | R149-E153 WeakPolarHBondContact O-CG 3.43Å; R149-E153 PolarHBondContact O-N 3.18Å; E150-E153 PolarHBondContact O-N 3.48Å; E153-A155 VanDerWaalsContact C-N 3.27Å; E153-A155 PolarHBondContact O-N 3.18Å; E153-T156 WeakPolarHBondContact CA-OG1 3.39Å; E153-T156 PolarHBondContact O-N 3.42Å; E153-T156 VanDerWaalsContact O-N 3.11Å; E153-T156 PolarHBondContact O-OG1 3.01Å; E153-E157 WeakPolarHBondContact O-CB 3.27Å; E153-E157 PolarHBondContact O-N 2.85Å |
| 154 | L | 93.8 | Very high | 93.5 | Very high | 99 Ų | 99 | 95 Ų | 95 | 52% | 0.518 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.5 | -33.8 | 175.2 | -71.8 | 173.4 | 0 | 0 | 0 | 112.8 | E150 N158 | E150-L154 WeakPolarHBondContact O-CB 3.45Å; E150-L154 VanDerWaalsContact O-CG 3.32Å; E150-L154 WeakPolarHBondContact O-CG 3.43Å; E150-L154 PolarHBondContact O-N 3.41Å; L154-N158 VanDerWaalsContact O-CB 3.28Å; L154-N158 WeakPolarHBondContact O-CB 3.32Å; L154-N158 PolarHBondContact O-N 3.18Å; L154-N158 PolarHBondContact O-ND2 3.1Å; L154-N158 VanDerWaalsContact O-ND2 3.14Å |
| 155 | A | 93.6 | Very high | 92.8 | Very high | 48 Ų | 48 | 95 Ų | 95 | 40% | 0.397 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.4 | -41.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R151 Q152 E153 E159 | R151-A155 VanDerWaalsContact O-CB 3.24Å; R151-A155 WeakPolarHBondContact O-CB 3.42Å; R151-A155 PolarHBondContact O-N 3.33Å; Q152-A155 PolarHBondContact O-N 3.48Å; E153-A155 VanDerWaalsContact C-N 3.27Å; E153-A155 PolarHBondContact O-N 3.18Å; A155-E159 WeakPolarHBondContact O-CB 3.44Å; A155-E159 PolarHBondContact O-N 3.47Å |
| 156 | T | 95.6 | Very high | 91.9 | Very high | 80 Ų | 80 | 98 Ų | 98 | 49% | 0.491 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.7 | -38.9 | 174.9 | 50.5 | 0 | 0 | 0 | 0 | 112.4 | Q152 E153 E159 A160 | Q152-T156 WeakPolarHBondContact O-CG2 3.04Å; Q152-T156 PolarHBondContact O-N 2.84Å; Q152-T156 PolarHBondContact O-OG1 2.88Å; E153-T156 WeakPolarHBondContact CA-OG1 3.39Å; E153-T156 PolarHBondContact O-N 3.42Å; E153-T156 VanDerWaalsContact O-N 3.11Å; E153-T156 PolarHBondContact O-OG1 3.01Å; T156-E159 PolarHBondContact O-N 3.32Å; T156-A160 PolarHBondContact O-N 3.36Å |
| 157 | E | 93.9 | Very high | 91 | Very high | 111 Ų | 111 | 105 Ų | 105 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.5 | -44.3 | 175.7 | -172.9 | 177.6 | -169.1 | 0 | 0 | 111.5 | E153 E159 A160 L161 | E153-E157 WeakPolarHBondContact O-CB 3.27Å; E153-E157 PolarHBondContact O-N 2.85Å; E157-E159 VanDerWaalsContact C-N 3.27Å; E157-E159 PolarHBondContact O-N 2.96Å; E157-A160 PolarHBondContact O-N 3.14Å; E157-L161 HydrophobicContact CG-CD1 4.33Å; E157-L161 WeakPolarHBondContact O-CB 3.44Å; E157-L161 WeakPolarHBondContact O-CG 3.26Å; E157-L161 PolarHBondContact O-N 3.46Å |
| 158 | N | 89.2 | Confident | 89.9 | Confident | 72 Ų | 72 | 107 Ų | 107 | 39% | 0.385 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.1 | -40.6 | 173 | -103.3 | -90 | 0 | 0 | 0 | 112.3 | L154 R162 | L154-N158 VanDerWaalsContact O-CB 3.28Å; L154-N158 WeakPolarHBondContact O-CB 3.32Å; L154-N158 PolarHBondContact O-N 3.18Å; L154-N158 PolarHBondContact O-ND2 3.1Å; L154-N158 VanDerWaalsContact O-ND2 3.14Å; N158-R162 WeakPolarHBondContact O-CB 3.28Å; N158-R162 VanDerWaalsContact O-CG 3.31Å; N158-R162 WeakPolarHBondContact O-CG 3.28Å; N158-R162 PolarHBondContact O-N 3.41Å |
| 159 | E | 93.2 | Very high | 88.6 | Confident | 91 Ų | 91 | 110.4 Ų | 110.4 | 43% | 0.425 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.5 | -42 | 178 | -171.5 | 56.9 | -151.2 | 0 | 0 | 111.5 | A155 T156 E157 R162 Q163 | A155-E159 WeakPolarHBondContact O-CB 3.44Å; A155-E159 PolarHBondContact O-N 3.47Å; T156-E159 PolarHBondContact O-N 3.32Å; E157-E159 VanDerWaalsContact C-N 3.27Å; E157-E159 PolarHBondContact O-N 2.96Å; E159-R162 PolarHBondContact O-N 2.87Å; E159-Q163 WeakPolarHBondContact O-CG 3.49Å; E159-Q163 PolarHBondContact O-N 3.35Å; E159-Q163 PolarHBondContact OE1-NE2 2.99Å |
| 160 | A | 91.6 | Very high | 86.5 | Confident | 53 Ų | 53 | 106.3 Ų | 106.3 | 44% | 0.438 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | T156 E157 R162 Q163 E164 | T156-A160 PolarHBondContact O-N 3.36Å; E157-A160 PolarHBondContact O-N 3.14Å; A160-R162 VanDerWaalsContact C-N 3.33Å; A160-R162 PolarHBondContact O-N 3.48Å; A160-Q163 WeakPolarHBondContact O-CB 3.38Å; A160-Q163 PolarHBondContact O-N 2.92Å; A160-Q163 VanDerWaalsContact O-N 3.16Å; A160-E164 PolarHBondContact O-N 3.14Å |
| 161 | L | 89.7 | Confident | 84.1 | Confident | 86 Ų | 86 | 108.2 Ų | 108.2 | 45% | 0.45 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.7 | -39.4 | 175.6 | -72 | 172.2 | 0 | 0 | 0 | 111.8 | E157 Q163 E164 T165 | E157-L161 HydrophobicContact CG-CD1 4.33Å; E157-L161 WeakPolarHBondContact O-CB 3.44Å; E157-L161 WeakPolarHBondContact O-CG 3.26Å; E157-L161 PolarHBondContact O-N 3.46Å; L161-Q163 VanDerWaalsContact C-N 3.34Å; L161-Q163 PolarHBondContact O-N 2.9Å; L161-E164 PolarHBondContact O-N 2.93Å; L161-T165 WeakPolarHBondContact O-CB 3.49Å; L161-T165 PolarHBondContact O-N 3.5Å; L161-T165 PolarHBondContact O-OG1 2.94Å |
| 162 | R | 89.4 | Confident | 82 | Confident | 131 Ų | 131 | 104.7 Ų | 104.7 | 49% | 0.494 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 173.9 | -80.4 | -175.1 | -176.6 | 97.5 | 11.8 | 111.8 | N158 E159 A160 T165 Q166 | N158-R162 WeakPolarHBondContact O-CB 3.28Å; N158-R162 VanDerWaalsContact O-CG 3.31Å; N158-R162 WeakPolarHBondContact O-CG 3.28Å; N158-R162 PolarHBondContact O-N 3.41Å; E159-R162 PolarHBondContact O-N 2.87Å; A160-R162 VanDerWaalsContact C-N 3.33Å; A160-R162 PolarHBondContact O-N 3.48Å; R162-T165 PolarHBondContact O-N 3.38Å; R162-Q166 VanDerWaalsContact O-CG 3.26Å; R162-Q166 WeakPolarHBondContact O-CG 3.43Å; R162-Q166 PolarHBondContact O-N 3.26Å |
| 163 | Q | 89.4 | Confident | 79.5 | Confident | 94 Ų | 94 | 105.6 Ų | 105.6 | 44% | 0.439 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.1 | -42.5 | 176.6 | -69.8 | 172.5 | 18.8 | 0 | 0 | 111.3 | E159 A160 L161 Q166 H167 | E159-Q163 WeakPolarHBondContact O-CG 3.49Å; E159-Q163 PolarHBondContact O-N 3.35Å; E159-Q163 PolarHBondContact OE1-NE2 2.99Å; A160-Q163 WeakPolarHBondContact O-CB 3.38Å; A160-Q163 PolarHBondContact O-N 2.92Å; A160-Q163 VanDerWaalsContact O-N 3.16Å; L161-Q163 VanDerWaalsContact C-N 3.34Å; L161-Q163 PolarHBondContact O-N 2.9Å; Q163-Q166 WeakPolarHBondContact O-CB 3.26Å; Q163-Q166 PolarHBondContact O-N 3.42Å; Q163-H167 PolarHBondContact O-N 2.95Å; Q163-H167 PolarHBondContact O-ND1 3.32Å |
| 164 | E | 85.1 | Confident | 76.9 | Confident | 115 Ų | 115 | 104 Ų | 104 | 54% | 0.537 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.6 | -42.5 | 175.8 | -171.2 | 170.9 | -164.2 | 0 | 0 | 112 | A160 L161 Q166 H167 L168 | A160-E164 PolarHBondContact O-N 3.14Å; L161-E164 PolarHBondContact O-N 2.93Å; E164-Q166 VanDerWaalsContact C-N 3.27Å; E164-Q166 PolarHBondContact O-N 2.86Å; E164-H167 PolarHBondContact O-N 3.46Å; E164-H167 VanDerWaalsContact O-N 3.17Å; E164-L168 HydrophobicContact CG-CD1 4.2Å; E164-L168 WeakPolarHBondContact O-CB 3.45Å; E164-L168 WeakPolarHBondContact O-CG 3.29Å; E164-L168 PolarHBondContact O-N 3.42Å |
| 165 | T | 80.6 | Confident | 74.3 | Confident | 83 Ų | 83 | 109.9 Ų | 109.9 | 51% | 0.509 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.7 | -34.9 | 174.7 | -42.7 | 0 | 0 | 0 | 0 | 111.8 | L161 R162 R169 | L161-T165 WeakPolarHBondContact O-CB 3.49Å; L161-T165 PolarHBondContact O-N 3.5Å; L161-T165 PolarHBondContact O-OG1 2.94Å; R162-T165 PolarHBondContact O-N 3.38Å; T165-R169 VanDerWaalsContact O-CB 3.27Å; T165-R169 WeakPolarHBondContact O-CB 3.36Å; T165-R169 PolarHBondContact O-N 3.22Å |
| 166 | Q | 78.4 | Confident | 71.5 | Confident | 129 Ų | 129 | 113 Ų | 113 | 60% | 0.603 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -71.2 | -37.6 | 174.4 | -73.9 | 170.9 | 29.3 | 0 | 0 | 112.2 | R162 Q163 E164 R169 G170 | R162-Q166 VanDerWaalsContact O-CG 3.26Å; R162-Q166 WeakPolarHBondContact O-CG 3.43Å; R162-Q166 PolarHBondContact O-N 3.26Å; Q163-Q166 WeakPolarHBondContact O-CB 3.26Å; Q163-Q166 PolarHBondContact O-N 3.42Å; E164-Q166 VanDerWaalsContact C-N 3.27Å; E164-Q166 PolarHBondContact O-N 2.86Å; Q166-R169 PolarHBondContact O-N 3.45Å; Q166-G170 PolarHBondContact O-N 3.25Å |
| 167 | H | 77.6 | Confident | 69 | Low | 152 Ų | 152 | 113.1 Ų | 113.1 | 70% | 0.704 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.5 | -41.4 | 173.6 | -77.2 | 76.7 | 0 | 0 | 0 | 111.6 | Q163 E164 G170 | Q163-H167 PolarHBondContact O-N 2.95Å; Q163-H167 PolarHBondContact O-ND1 3.32Å; E164-H167 PolarHBondContact O-N 3.46Å; E164-H167 VanDerWaalsContact O-N 3.17Å; H167-G170 WeakPolarHBondContact O-CA 3.41Å; H167-G170 PolarHBondContact O-N 3.46Å |
| 168 | L | 72.6 | Confident | 66.4 | Low | 131 Ų | 131 | 114.9 Ų | 114.9 | 69% | 0.686 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -70.2 | -29 | 176.3 | -68.8 | 171.3 | 0 | 0 | 0 | 113.1 | E164 G170 | E164-L168 HydrophobicContact CG-CD1 4.2Å; E164-L168 WeakPolarHBondContact O-CB 3.45Å; E164-L168 WeakPolarHBondContact O-CG 3.29Å; E164-L168 PolarHBondContact O-N 3.42Å; L168-G170 PolarHBondContact O-N 2.93Å |
| 169 | R | 67.9 | Low | 63.9 | Low | 214 Ų | 214 | 114.6 Ų | 114.6 | 81% | 0.808 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -12.6 | 169.9 | -175.7 | 178.4 | -74.9 | -100.6 | 1.9 | 112.3 | T165 Q166 D171 | T165-R169 VanDerWaalsContact O-CB 3.27Å; T165-R169 WeakPolarHBondContact O-CB 3.36Å; T165-R169 PolarHBondContact O-N 3.22Å; Q166-R169 PolarHBondContact O-N 3.45Å; R169-D171 PolarHBondContact O-N 2.98Å |
| 170 | G | 53.5 | Low | 61.3 | Low | 53 Ų | 53 | 116.7 Ų | 116.7 | 55% | 0.546 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.2 | -8.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | Q166 H167 L168 | Q166-G170 PolarHBondContact O-N 3.25Å; H167-G170 WeakPolarHBondContact O-CA 3.41Å; H167-G170 PolarHBondContact O-N 3.46Å; L168-G170 PolarHBondContact O-N 2.93Å |
| 171 | D | 45.3 | Very low | 58.7 | Low | 143 Ų | 143 | 119.6 Ų | 119.6 | 77% | 0.765 | 67% | 0.672 | S | S | * | * | trans | -157.3 | 142.2 | 174.1 | -99.2 | -35.3 | 0 | 0 | 0 | 110.4 | R169 | R169-D171 PolarHBondContact O-N 2.98Š| ||
| 172 | P | 50.3 | Low | 56.3 | Low | 101 Ų | 101 | 121.2 Ų | 121.2 | 66% | 0.656 | 69% | 0.691 | S | S | * | * | cis | -139 | 167.2 | 12.4 | 39.8 | -19.6 | 0 | 0 | 0 | 117.1 | ||||
| 173 | T | 42.7 | Very low | 54 | Low | 127 Ų | 127 | 122.9 Ų | 122.9 | 78% | 0.779 | 71% | 0.709 | S | S | * | * | trans | 57.6 | 111.4 | 142.7 | 54 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 174 | A | 40.8 | Very low | 52.4 | Low | 70 Ų | 70 | 123 Ų | 123 | 58% | 0.579 | 72% | 0.718 | S | S | * | * | 80.7 | 133.3 | 126.9 | 0 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 175 | Y | 39.6 | Very low | 50.2 | Low | 223 Ų | 223 | 125.1 Ų | 125.1 | 88% | 0.875 | 73% | 0.732 | S | S | * | * | trans | 96.8 | 122.6 | 152.5 | -48.3 | -69.2 | 0 | 0 | 0 | 121.4 | ||||
| 176 | S | 35.6 | Very low | 48.1 | Very low | 113 Ų | 113 | 125.8 Ų | 125.8 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | trans | 74.8 | 95.5 | 143.3 | -73 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 177 | A | 42 | Very low | 46.9 | Very low | 84 Ų | 84 | 125 Ų | 125 | 69% | 0.694 | 75% | 0.746 | S | S | * | * | 34.9 | 141.4 | 107.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 178 | T | 39.8 | Very low | 44.8 | Very low | 148 Ų | 148 | 124.7 Ų | 124.7 | 91% | 0.908 | 75% | 0.749 | S | S | * | * | trans | 85.8 | 129 | 161.1 | 68.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 179 | G | 36.6 | Very low | 43.1 | Very low | 65 Ų | 65 | 124.7 Ų | 124.7 | 67% | 0.67 | 75% | 0.745 | S | S | * | * | cis | -170.8 | 167.9 | 4.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 180 | T | 38.3 | Very low | 41.6 | Very low | 135 Ų | 135 | 122 Ų | 122 | 83% | 0.828 | 74% | 0.741 | S | S | * | * | trans | 68.3 | 118 | 141.7 | 49.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 181 | S | 37.3 | Very low | 40.7 | Very low | 114 Ų | 114 | 124.1 Ų | 124.1 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | trans | 68.8 | 128.7 | 143.3 | -61.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 182 | S | 38.8 | Very low | 40.1 | Very low | 120 Ų | 120 | 121.9 Ų | 121.9 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | cis | -167.7 | 151.6 | 30.1 | 22.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 183 | L | 42.8 | Very low | 39.4 | Very low | 166 Ų | 166 | 122 Ų | 122 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | trans | -79.5 | -177.8 | 174.1 | -73.6 | 171.5 | 0 | 0 | 0 | 111.5 | ||||
| 184 | P | 55.1 | Low | 39.1 | Very low | 97 Ų | 97 | 120.5 Ų | 120.5 | 63% | 0.63 | 75% | 0.747 | S | S | * | * | cis | -143 | -172.3 | -43.1 | 38.7 | -20 | 0 | 0 | 0 | 114.2 | ||||
| 185 | L | 38.1 | Very low | 39 | Very low | 159 Ų | 159 | 122.3 Ų | 122.3 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | trans | 75.7 | 133.1 | 158 | -63.5 | 158.3 | 0 | 0 | 0 | 116.7 | ||||
| 186 | S | 38.3 | Very low | 38.8 | Very low | 98 Ų | 98 | 116.7 Ų | 116.7 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | cis | -160.4 | 157.8 | 6.6 | -80.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 187 | P | 52.3 | Low | 38.8 | Very low | 113 Ų | 113 | 116.2 Ų | 116.2 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | trans | -95.8 | 153.9 | 172 | 36.4 | -29.1 | 0 | 0 | 0 | 111.5 | ||||
| 188 | L | 34.3 | Very low | 38.6 | Very low | 144 Ų | 144 | 117.2 Ų | 117.2 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | trans | 160.9 | 116.5 | 143.8 | -93.3 | 146.7 | 0 | 0 | 0 | 110.2 | ||||
| 189 | H | 36.5 | Very low | 38.3 | Very low | 132 Ų | 132 | 115.7 Ų | 115.7 | 61% | 0.611 | 74% | 0.743 | S | S | * | * | 158.6 | 124.6 | 103.1 | -98.7 | -60.8 | 0 | 0 | 0 | 113 | |||||
| 190 | H | 36.2 | Very low | 38 | Very low | 157 Ų | 157 | 117.2 Ų | 117.2 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | 72.7 | 139.9 | 145.5 | -56.1 | -52.3 | 0 | 0 | 0 | 119.7 | ||||
| 191 | S | 34.5 | Very low | 38 | Very low | 97 Ų | 97 | 117 Ų | 117 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | cis | 166.1 | 134.2 | -18.2 | -96.7 | 0 | 0 | 0 | 0 | 103.3 | ||||
| 192 | A | 32.4 | Very low | 38.5 | Very low | 97 Ų | 97 | 117 Ų | 117 | 80% | 0.802 | 75% | 0.745 | S | S | * | * | trans | 60.1 | 144.3 | 147.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 193 | S | 35.6 | Very low | 38.1 | Very low | 102 Ų | 102 | 116.7 Ų | 116.7 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | cis | -179.7 | 163.8 | 11.4 | 35.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 194 | S | 35.7 | Very low | 37.7 | Very low | 96 Ų | 96 | 114.3 Ų | 114.3 | 67% | 0.671 | 74% | 0.74 | S | S | * | * | trans | 69 | 107.3 | 136.1 | 60.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 195 | S | 38.9 | Very low | 37.3 | Very low | 109 Ų | 109 | 115.8 Ų | 115.8 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | -0.8 | 152.2 | 122.1 | 54.6 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 196 | S | 36.5 | Very low | 37.1 | Very low | 104 Ų | 104 | 112.3 Ų | 112.3 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | 103.2 | 105.1 | 141.8 | 76.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 197 | S | 35.4 | Very low | 37.3 | Very low | 104 Ų | 104 | 113.6 Ų | 113.6 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | 41.7 | 130 | 124.4 | 60.5 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 198 | S | 36.7 | Very low | 36.3 | Very low | 104 Ų | 104 | 113.4 Ų | 113.4 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | 102.5 | 122.3 | 138.4 | -32.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 199 | S | 34.4 | Very low | 36 | Very low | 116 Ų | 116 | 114.5 Ų | 114.5 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | trans | 88.5 | 140.5 | 135.7 | 72 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 200 | A | 30.9 | Very low | 35.8 | Very low | 98 Ų | 98 | 113.1 Ų | 113.1 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | trans | 92.8 | 111.4 | 156.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 201 | T | 36.5 | Very low | 35.6 | Very low | 130 Ų | 130 | 114.9 Ų | 114.9 | 80% | 0.798 | 77% | 0.768 | S | S | * | * | trans | -61.3 | 168.5 | 150.4 | 51.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 202 | P | 47.9 | Very low | 35.4 | Very low | 114 Ų | 114 | 115.9 Ų | 115.9 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | cis | -153.6 | -175.3 | 41.6 | 39.4 | -15.3 | 0 | 0 | 0 | 118 | ||||
| 203 | S | 30.6 | Very low | 35.2 | Very low | 113 Ų | 113 | 119 Ų | 119 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | 125.3 | 120.4 | 147.5 | -45.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 204 | S | 36 | Very low | 34.9 | Very low | 117 Ų | 117 | 119 Ų | 119 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -88.5 | 175.4 | 163.8 | -43.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 205 | P | 46.3 | Very low | 34.5 | Very low | 127 Ų | 127 | 121.6 Ų | 121.6 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | cis | -141.7 | 177.3 | 40.4 | 35.4 | -11 | 0 | 0 | 0 | 117.2 | ||||
| 206 | A | 33.1 | Very low | 34 | Very low | 87 Ų | 87 | 123.1 Ų | 123.1 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | trans | -62.8 | 175 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 207 | P | 42.3 | Very low | 33.7 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | -145.1 | 157.5 | 84.4 | 36.6 | -18.9 | 0 | 0 | 0 | 116.2 | |||||
| 208 | S | 32.2 | Very low | 33.3 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -65.9 | 144.6 | 163.4 | -37.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 209 | L | 28.2 | Very low | 32.9 | Very low | 168 Ų | 168 | 132.3 Ų | 132.3 | 88% | 0.88 | 79% | 0.786 | S | S | * | * | trans | -158.7 | 121.8 | 143.6 | -122.7 | 135.7 | 0 | 0 | 0 | 112.7 | ||||
| 210 | S | 32.3 | Very low | 32.8 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | trans | -90.9 | 139.9 | 172 | 37.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 211 | K | 30.5 | Very low | 32.8 | Very low | 194 Ų | 194 | 133.7 Ų | 133.7 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | -168.9 | 107.5 | 152.5 | -131.1 | 168.2 | -179.9 | 178.5 | 0 | 108.3 | ||||
| 212 | V | 30.3 | Very low | 33.1 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 71% | 0.709 | 78% | 0.783 | S | S | * | * | 58.7 | 101.5 | 78.8 | -177.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 213 | I | 29.7 | Very low | 32.8 | Very low | 162 Ų | 162 | 134 Ų | 134 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | trans | -156.5 | 94.6 | 143.1 | -58.9 | -171.6 | 0 | 0 | 0 | 104.8 | ||||
| 214 | T | 29.7 | Very low | 32.9 | Very low | 102 Ų | 102 | 132.2 Ų | 132.2 | 63% | 0.626 | 79% | 0.787 | S | S | * | * | 37 | 117.2 | 87.5 | 52.2 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 215 | D | 26.9 | Very low | 33.1 | Very low | 152 Ų | 152 | 131.9 Ų | 131.9 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | 79.1 | 110.7 | 147.5 | -61.1 | -26.5 | 0 | 0 | 0 | 120.4 | ||||
| 216 | C | 28.5 | Very low | 32.8 | Very low | 141 Ų | 141 | 132 Ų | 132 | 95% | 0.953 | 79% | 0.785 | S | S | * | * | -156.9 | 154.5 | 111.6 | -93.8 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 217 | K | 29.2 | Very low | 32.8 | Very low | 189 Ų | 189 | 136.1 Ų | 136.1 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -118.7 | 146.9 | -152.7 | -169.4 | 177.3 | -178.2 | -179.3 | 0 | 109.4 | ||||
| 218 | F | 27.6 | Very low | 32.5 | Very low | 165 Ų | 165 | 134.7 Ų | 134.7 | 72% | 0.724 | 79% | 0.789 | S | S | * | * | trans | 66.9 | 122.4 | 158.5 | -110.2 | -105.3 | 0 | 0 | 0 | 119 | ||||
| 219 | E | 29 | Very low | 32.6 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | -168.9 | 158.3 | 113.1 | -96.9 | -54.6 | 139.6 | 0 | 0 | 111.1 | |||||
| 220 | E | 30.8 | Very low | 33.1 | Very low | 169 Ų | 169 | 134.9 Ų | 134.9 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -59.1 | 158.7 | -163.7 | -67 | 171.1 | 140.8 | 0 | 0 | 117.1 | ||||
| 221 | G | 31.7 | Very low | 33.3 | Very low | 75 Ų | 75 | 136.7 Ų | 136.7 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -75.5 | -152.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 222 | P | 43 | Very low | 33.8 | Very low | 122 Ų | 122 | 138 Ų | 138 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | cis | -115.3 | 167.1 | -15.7 | 38.6 | -25 | 0 | 0 | 0 | 112.8 | ||||
| 223 | P | 41.3 | Very low | 34.3 | Very low | 127 Ų | 127 | 140.1 Ų | 140.1 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -85 | 119.4 | 171.9 | 31.6 | -28.7 | 0 | 0 | 0 | 111.1 | S225 | P223-S225 PolarHBondContact O-N 3.09Š|
| 224 | G | 31.8 | Very low | 34.9 | Very low | 77 Ų | 77 | 137.8 Ų | 137.8 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 116.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 225 | S | 39.8 | Very low | 35.5 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 131.7 | 158.5 | -59.4 | 0 | 0 | 0 | 0 | 109 | P223 E227 | P223-S225 PolarHBondContact O-N 3.09Å; S225-E227 PolarHBondContact O-N 3Å |
| 226 | P | 42 | Very low | 36.4 | Very low | 131 Ų | 131 | 138 Ų | 138 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | trans | -78 | 99 | 154.5 | 24.7 | -18.4 | 0 | 0 | 0 | 108.3 | A228 | P226-A228 PolarHBondContact O-N 3.37Š| ||
| 227 | E | 32 | Very low | 37.2 | Very low | 172 Ų | 172 | 138 Ų | 138 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -37.5 | 115.2 | 155.4 | -170.5 | 173.1 | -177.2 | 0 | 0 | 111 | S225 | S225-E227 PolarHBondContact O-N 3Š| ||
| 228 | A | 35.2 | Very low | 38.2 | Very low | 96 Ų | 96 | 139.2 Ų | 139.2 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | trans | -82.9 | 113.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | P226 | P226-A228 PolarHBondContact O-N 3.37Š| ||
| 229 | E | 34.4 | Very low | 39 | Very low | 164 Ų | 164 | 137.6 Ų | 137.6 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | trans | -51.7 | 143.3 | 176.1 | -69.2 | -176.2 | 146.1 | 0 | 0 | 111.6 | V231 | E229-V231 PolarHBondContact O-N 2.86Å; E229-V231 VanDerWaalsContact O-N 3.14Å | ||
| 230 | P | 39.3 | Very low | 39.7 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | -69.7 | 111.6 | 172.1 | 28.1 | -29.5 | 0 | 0 | 0 | 108.7 | R232 | P230-R232 PolarHBondContact O-N 3.46Å; P230-R232 VanDerWaalsContact O-N 3.11Å | ||
| 231 | V | 37 | Very low | 40.4 | Very low | 141 Ų | 141 | 136 Ų | 136 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | trans | -60.4 | 116.3 | 166.7 | -180 | 0 | 0 | 0 | 0 | 106.9 | E229 D233 | E229-V231 PolarHBondContact O-N 2.86Å; E229-V231 VanDerWaalsContact O-N 3.14Å; V231-D233 PolarHBondContact O-N 3.06Å | ||
| 232 | R | 41.3 | Very low | 41.3 | Very low | 221 Ų | 221 | 134.2 Ų | 134.2 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | trans | -51.5 | 131.3 | 178 | -67.6 | -179.6 | 167.2 | 159 | -1.6 | 110.2 | P230 V234 | P230-R232 PolarHBondContact O-N 3.46Å; P230-R232 VanDerWaalsContact O-N 3.11Å; R232-V234 PolarHBondContact O-N 3.01Å | ||
| 233 | D | 39.4 | Very low | 41.4 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 87% | 0.866 | 74% | 0.74 | S | S | * | * | trans | -50.9 | 111 | 159.8 | -69.6 | -46.6 | 0 | 0 | 0 | 108.1 | V231 | V231-D233 PolarHBondContact O-N 3.06Š| ||
| 234 | V | 42.8 | Very low | 41.5 | Very low | 112 Ų | 112 | 135.4 Ų | 135.4 | 68% | 0.679 | 73% | 0.727 | S | S | * | * | trans | -88.3 | 111.2 | 165.6 | 175.7 | 0 | 0 | 0 | 0 | 105.4 | R232 L236 | R232-V234 PolarHBondContact O-N 3.01Å; V234-L236 PolarHBondContact O-N 2.86Å | ||
| 235 | D | 41.9 | Very low | 42.4 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 65% | 0.652 | 72% | 0.715 | S | S | * | * | trans | -43.1 | 100.2 | 172.3 | -76.4 | -52.5 | 0 | 0 | 0 | 111.8 | D237 R238 | D235-D237 PolarHBondContact O-N 3.3Å; D235-R238 PolarHBondContact O-N 2.94Å | ||
| 236 | L | 46.9 | Very low | 42.8 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 72% | 0.717 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -3.9 | 172.2 | -71.1 | 171.7 | 0 | 0 | 0 | 112.8 | V234 | V234-L236 PolarHBondContact O-N 2.86Š|
| 237 | D | 44.4 | Very low | 43.1 | Very low | 142 Ų | 142 | 138.5 Ų | 138.5 | 76% | 0.759 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -9.8 | 175.3 | -77.8 | -33.5 | 0 | 0 | 0 | 113.9 | D235 | D235-D237 PolarHBondContact O-N 3.3Š|
| 238 | R | 50.5 | Low | 43.9 | Very low | 213 Ų | 213 | 135.7 Ų | 135.7 | 80% | 0.804 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -23.2 | 177.6 | -158.6 | 170 | -169.1 | -133.7 | 0.9 | 113.7 | D235 | D235-R238 PolarHBondContact O-N 2.94Š|
| 239 | E | 44 | Very low | 44.7 | Very low | 131 Ų | 131 | 137.2 Ų | 137.2 | 61% | 0.612 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -26.3 | -179 | -73.3 | -172.5 | 146.9 | 0 | 0 | 113.6 | M241 G242 | E239-M241 VanDerWaalsContact C-N 3.32Å; E239-M241 PolarHBondContact O-N 2.98Å; E239-G242 PolarHBondContact O-N 2.75Å |
| 240 | K | 45.2 | Very low | 45.3 | Very low | 166 Ų | 166 | 136.3 Ų | 136.3 | 72% | 0.722 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -67.9 | -28.7 | 172.7 | -103.2 | 179.5 | 177.7 | 174.4 | 0 | 113.5 | G242 | K240-G242 VanDerWaalsContact C-N 3.35Å |
| 241 | M | 44 | Very low | 45.6 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 60% | 0.596 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -84 | -9.4 | 179 | -148.6 | 69 | 173.9 | 0 | 0 | 113.6 | E239 K245 | E239-M241 VanDerWaalsContact C-N 3.32Å; E239-M241 PolarHBondContact O-N 2.98Å; M241-K245 WeakPolarHBondContact O-CD 3.48Å |
| 242 | G | 51.9 | Low | 46.1 | Very low | 36 Ų | 36 | 135.1 Ų | 135.1 | 37% | 0.371 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -87.4 | -43.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E239 K240 Q244 K245 D246 | E239-G242 PolarHBondContact O-N 2.75Å; K240-G242 VanDerWaalsContact C-N 3.35Å; G242-Q244 VanDerWaalsContact C-N 3.35Å; G242-Q244 PolarHBondContact O-N 3.24Å; G242-K245 PolarHBondContact O-N 3.31Å; G242-D246 PolarHBondContact O-N 2.98Å |
| 243 | Q | 44.2 | Very low | 46.4 | Very low | 157 Ų | 157 | 130.7 Ų | 130.7 | 73% | 0.734 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -75.6 | -23 | -178.4 | -65.6 | -175.7 | -15.6 | 0 | 0 | 113.4 | ||
| 244 | Q | 43.3 | Very low | 46.8 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 55% | 0.547 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -76 | -27.3 | 174.6 | -163.8 | 158.8 | -4.6 | 0 | 0 | 112.5 | G242 E248 | G242-Q244 VanDerWaalsContact C-N 3.35Å; G242-Q244 PolarHBondContact O-N 3.24Å; Q244-E248 PolarHBondContact O-N 3.44Å |
| 245 | K | 50.6 | Low | 46.9 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 53% | 0.53 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -78.2 | -26.7 | 176.4 | -74.5 | 178.3 | 179.1 | 173.5 | 0 | 113.6 | M241 G242 L249 | M241-K245 WeakPolarHBondContact O-CD 3.48Å; G242-K245 PolarHBondContact O-N 3.31Å; K245-L249 PolarHBondContact O-N 3.25Å |
| 246 | D | 47.7 | Very low | 46.4 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 67% | 0.668 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -79.8 | -21.2 | 175.4 | -73.3 | -13.8 | 0 | 0 | 0 | 112.8 | G242 | G242-D246 PolarHBondContact O-N 2.98Å |
| 247 | L | 48.8 | Very low | 45.6 | Very low | 136 Ų | 136 | 130 Ų | 130 | 71% | 0.712 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -80.2 | -38.7 | 171.3 | -126.8 | 91.7 | 0 | 0 | 0 | 112.2 | L250 E251 | L247-L250 PolarHBondContact O-N 2.96Å; L247-E251 PolarHBondContact O-N 3.46Å |
| 248 | E | 50.1 | Low | 45.1 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 52% | 0.523 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -72.5 | -25.2 | 177.8 | -75.9 | 177.3 | 173.7 | 0 | 0 | 113.2 | Q244 S252 | Q244-E248 PolarHBondContact O-N 3.44Å; E248-S252 WeakPolarHBondContact O-CB 3.44Å; E248-S252 PolarHBondContact O-N 3.37Å; E248-S252 PolarHBondContact O-OG 3.02Å |
| 249 | L | 50.8 | Low | 44.4 | Very low | 129 Ų | 129 | 123.2 Ų | 123.2 | 68% | 0.675 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -74.1 | -24.4 | 175.6 | -128.7 | 103.3 | 0 | 0 | 0 | 113.3 | K245 | K245-L249 PolarHBondContact O-N 3.25Å |
| 250 | L | 46.3 | Very low | 43.6 | Very low | 145 Ų | 145 | 122.1 Ų | 122.1 | 76% | 0.759 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -86.7 | -21.1 | 178.4 | -158.3 | 68.1 | 0 | 0 | 0 | 112.5 | L247 | L247-L250 PolarHBondContact O-N 2.96Å |
| 251 | E | 45.8 | Very low | 42.9 | Very low | 135 Ų | 135 | 119.1 Ų | 119.1 | 63% | 0.631 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -84 | -22.9 | 173.9 | -162.6 | 165.6 | -168.3 | 0 | 0 | 112.6 | L247 V253 | L247-E251 PolarHBondContact O-N 3.46Å; E251-V253 VanDerWaalsContact C-N 3.34Å; E251-V253 PolarHBondContact O-N 2.87Å |
| 252 | S | 48.8 | Very low | 42.1 | Very low | 97 Ų | 97 | 120.5 Ų | 120.5 | 68% | 0.678 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -2.8 | -178.8 | -60.7 | 0 | 0 | 0 | 0 | 115.6 | E248 | E248-S252 WeakPolarHBondContact O-CB 3.44Å; E248-S252 PolarHBondContact O-N 3.37Å; E248-S252 PolarHBondContact O-OG 3.02Å |
| 253 | V | 47.1 | Very low | 41 | Very low | 127 Ų | 127 | 122.7 Ų | 122.7 | 77% | 0.77 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -7.8 | 176.2 | 175.4 | 0 | 0 | 0 | 0 | 113 | E251 | E251-V253 VanDerWaalsContact C-N 3.34Å; E251-V253 PolarHBondContact O-N 2.87Å |
| 254 | L | 47.8 | Very low | 40.2 | Very low | 146 Ų | 146 | 123.1 Ų | 123.1 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -116 | 6 | -177.8 | -81.9 | 167.2 | 0 | 0 | 0 | 115.9 | ||
| 255 | H | 45 | Very low | 39.4 | Very low | 150 Ų | 150 | 123.2 Ų | 123.2 | 69% | 0.694 | 72% | 0.72 | S | S | * | * | trans | -137.5 | 76.9 | 178.4 | -68.6 | 90.5 | 0 | 0 | 0 | 113.4 | ||||
| 256 | C | 31.2 | Very low | 38.2 | Very low | 143 Ų | 143 | 122.8 Ų | 122.8 | 97% | 0.966 | 72% | 0.724 | S | S | * | * | trans | -167.6 | 121.4 | 157.7 | -88.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 257 | G | 30.7 | Very low | 37.3 | Very low | 81 Ų | 81 | 128 Ų | 128 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | cis | -166.8 | 180 | -0.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 258 | A | 32.3 | Very low | 36.3 | Very low | 97 Ų | 97 | 126.6 Ų | 126.6 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | cis | -164.9 | 162.9 | 4.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 259 | P | 35.7 | Very low | 35.3 | Very low | 114 Ų | 114 | 126.6 Ų | 126.6 | 74% | 0.74 | 75% | 0.748 | S | S | * | * | trans | -87.6 | 161.4 | 172.5 | 35.2 | -31.8 | 0 | 0 | 0 | 113 | ||||
| 260 | S | 29.2 | Very low | 34.2 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | trans | 57.5 | 120 | 147.3 | 64.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 261 | S | 29.8 | Very low | 33.3 | Very low | 103 Ų | 103 | 128.7 Ų | 128.7 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | -178.1 | 122.5 | 94.6 | -171.2 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 262 | D | 27.3 | Very low | 32.4 | Very low | 149 Ų | 149 | 128.8 Ų | 128.8 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | 35.4 | 148.6 | 132.9 | -53.9 | -53.1 | 0 | 0 | 0 | 123.5 | ||||
| 263 | A | 28 | Very low | 31.3 | Very low | 83 Ų | 83 | 129.4 Ų | 129.4 | 69% | 0.686 | 77% | 0.772 | S | S | * | * | trans | 94.2 | 95.3 | 156.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 264 | Q | 28.3 | Very low | 30.4 | Very low | 166 Ų | 166 | 128 Ų | 128 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | 106.3 | 129.6 | 77.1 | -170.4 | 160.7 | -6.4 | 0 | 0 | 106.6 | |||||
| 265 | D | 26.6 | Very low | 29.6 | Very low | 118 Ų | 118 | 126 Ų | 126 | 63% | 0.631 | 78% | 0.778 | S | S | * | * | cis | -159.3 | 141.6 | 19.6 | -119.3 | -23.3 | 0 | 0 | 0 | 105.5 | ||||
| 266 | N | 25.5 | Very low | 28.8 | Very low | 114 Ų | 114 | 121.9 Ų | 121.9 | 61% | 0.61 | 78% | 0.776 | S | S | * | * | 72.8 | 123.7 | 105.9 | -154.4 | 16 | 0 | 0 | 0 | 114.8 | |||||
| 267 | W | 28.4 | Very low | 28.8 | Very low | 234 Ų | 234 | 120.2 Ų | 120.2 | 89% | 0.886 | 77% | 0.766 | S | S | * | * | 161.1 | 122.4 | 119 | -88.1 | 76 | 0 | 0 | 0 | 110.1 | |||||
| 268 | S | 27.6 | Very low | 28.8 | Very low | 107 Ų | 107 | 127.9 Ų | 127.9 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -75.7 | 157.7 | -175.4 | -60.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 269 | S | 29.2 | Very low | 28.6 | Very low | 111 Ų | 111 | 128.4 Ų | 128.4 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | -0.9 | 122.7 | 143.8 | -57 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 270 | R | 28.1 | Very low | 28.3 | Very low | 251 Ų | 251 | 128.7 Ų | 128.7 | 95% | 0.947 | 77% | 0.772 | S | S | * | * | 165.2 | 132.2 | 113.5 | -94 | 174.6 | 173.1 | -160.2 | -1.2 | 111.6 | |||||
| 271 | G | 27.1 | Very low | 28.1 | Very low | 67 Ų | 67 | 128.4 Ų | 128.4 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | 96.3 | 123.8 | 118.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 272 | V | 27.9 | Very low | 27.8 | Very low | 138 Ų | 138 | 128.1 Ų | 128.1 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | 77.4 | 108.8 | 126.5 | -170.8 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 273 | S | 25.8 | Very low | 27.9 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | 65.2 | 124.9 | 131.9 | -57.9 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 274 | A | 28.2 | Very low | 27.9 | Very low | 96 Ų | 96 | 129.2 Ų | 129.2 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | 87.3 | 131.4 | 116.3 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 275 | A | 29.1 | Very low | 28.1 | Very low | 105 Ų | 105 | 130.9 Ų | 130.9 | 87% | 0.868 | 77% | 0.767 | S | S | * | * | trans | 102.3 | 139.9 | 131.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 276 | G | 28.1 | Very low | 28.3 | Very low | 64 Ų | 64 | 133 Ų | 133 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | trans | 106.3 | 74.7 | 156.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 277 | S | 31.9 | Very low | 28.6 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | 58.2 | 118.2 | 67.1 | -52.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 278 | R | 31 | Very low | 29 | Very low | 243 Ų | 243 | 133.2 Ų | 133.2 | 92% | 0.917 | 77% | 0.771 | S | S | * | * | trans | -173.4 | 98.6 | 134.1 | -100.3 | 165.8 | 165.8 | -150.7 | -7.9 | 106.2 | ||||
| 279 | S | 28.7 | Very low | 29.3 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | 62.6 | 113.3 | 66.7 | -55.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 280 | S | 27.9 | Very low | 29.5 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | trans | -152.8 | 90.4 | 135.5 | 60.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 281 | S | 26.5 | Very low | 30.2 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -58.9 | 155.9 | 140.7 | 58.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 282 | C | 23.6 | Very low | 30.6 | Very low | 97 Ų | 97 | 139.7 Ų | 139.7 | 66% | 0.655 | 78% | 0.776 | S | S | * | * | cis | 165.9 | 167.6 | 40.7 | 48.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 283 | L | 27.8 | Very low | 31.3 | Very low | 161 Ų | 161 | 145.1 Ų | 145.1 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | 71.6 | 147.6 | 153.9 | -51.8 | 179.1 | 0 | 0 | 0 | 117.9 | ||||
| 284 | S | 28.8 | Very low | 32.1 | Very low | 93 Ų | 93 | 148.5 Ų | 148.5 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | cis | -178.1 | 166 | -14 | 63.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 285 | R | 33.5 | Very low | 32.7 | Very low | 201 Ų | 201 | 150.9 Ų | 150.9 | 76% | 0.758 | 79% | 0.785 | S | S | * | * | trans | 75.5 | 117 | 137.6 | -172.5 | -177.8 | -101.6 | -97.3 | 5.1 | 118.9 | E287 | R285-E287 IonicContact NH1-OE2 3.29Š| ||
| 286 | Q | 30.8 | Very low | 32.9 | Very low | 164 Ų | 164 | 153.2 Ų | 153.2 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | 174.5 | 107.6 | 108.4 | -161.2 | 156.8 | 39.2 | 0 | 0 | 109.3 | |||||
| 287 | E | 31.7 | Very low | 34.1 | Very low | 127 Ų | 127 | 153.3 Ų | 153.3 | 59% | 0.593 | 77% | 0.77 | S | S | * | * | 71 | 130.5 | 94 | -135.7 | 153.2 | 177.5 | 0 | 0 | 112.6 | R285 | R285-E287 IonicContact NH1-OE2 3.29Š| |||
| 288 | R | 35.3 | Very low | 35.1 | Very low | 224 Ų | 224 | 150.7 Ų | 150.7 | 85% | 0.845 | 75% | 0.752 | S | S | * | * | cis | -173.5 | 126.6 | 39.8 | -169.9 | 177.9 | -173.8 | 119.5 | -4.5 | 109.9 | ||||
| 289 | S | 34.8 | Very low | 36.5 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 81% | 0.811 | 74% | 0.738 | S | S | * | * | S | Bend | 165.3 | 111.6 | 123.1 | -151.9 | 0 | 0 | 0 | 0 | 113.8 | |||
| 290 | R | 33.8 | Very low | 38 | Very low | 240 Ų | 240 | 146 Ų | 146 | 91% | 0.906 | 74% | 0.735 | S | S | * | * | trans | 101.7 | 79.4 | 146 | -134.6 | 170.3 | 178.9 | 152.7 | -0.5 | 121.5 | ||||
| 291 | Q | 41.2 | Very low | 39.8 | Very low | 168 Ų | 168 | 145.1 Ų | 145.1 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | trans | 1.4 | 145.1 | 147.8 | -123.9 | 74.3 | 28.8 | 0 | 0 | 123.6 | ||||
| 292 | L | 35.4 | Very low | 42 | Very low | 149 Ų | 149 | 144.5 Ų | 144.5 | 78% | 0.78 | 71% | 0.707 | S | S | * | * | trans | 96.5 | 58.2 | 146.8 | -71.8 | 160.5 | 0 | 0 | 0 | 120.6 | ||||
| 293 | W | 44.4 | Very low | 44.5 | Very low | 251 Ų | 251 | 143 Ų | 143 | 95% | 0.951 | 70% | 0.697 | S | S | * | * | trans | -150.7 | 33.2 | 163.8 | -69.9 | 99.4 | 0 | 0 | 0 | 115.5 | ||||
| 294 | E | 41.8 | Very low | 46.9 | Very low | 182 Ų | 182 | 139 Ų | 139 | 85% | 0.85 | 68% | 0.682 | S | S | * | * | trans | -98.8 | -2.8 | -170.2 | -85.3 | 172.8 | 158.9 | 0 | 0 | 118 | ||||
| 295 | D | 39.8 | Very low | 49.5 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 78% | 0.781 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -92 | -2 | -171.2 | -96.2 | -16.3 | 0 | 0 | 0 | 117 | ||
| 296 | M | 35.1 | Very low | 51.9 | Low | 153 Ų | 153 | 135.6 Ų | 135.6 | 75% | 0.754 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -108.4 | -10.3 | -177 | -149.7 | 54.7 | 42.8 | 0 | 0 | 114.4 | ||
| 297 | S | 52 | Low | 54.5 | Low | 66 Ų | 66 | 132.3 Ų | 132.3 | 46% | 0.462 | 65% | 0.654 | S | S | . | * | S | Bend | trans | -90.4 | -22.7 | -178 | -164 | 0 | 0 | 0 | 0 | 113.6 | E301 | S297-E301 WeakPolarHBondContact O-CG 3.5Å; S297-E301 PolarHBondContact O-N 3.46Å |
| 298 | S | 53.4 | Low | 57.1 | Low | 52 Ų | 52 | 128.8 Ų | 128.8 | 36% | 0.364 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -72.5 | -33.2 | -176.3 | 58.1 | 0 | 0 | 0 | 0 | 113.4 | E301 D302 | S298-E301 PolarHBondContact O-N 3.36Å; S298-D302 PolarHBondContact O-N 2.9Å; S298-D302 VanDerWaalsContact O-N 3.08Å |
| 299 | V | 59.8 | Low | 59.7 | Low | 105 Ų | 105 | 123.3 Ų | 123.3 | 64% | 0.636 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -74.2 | -36 | -177.5 | 179.4 | 0 | 0 | 0 | 0 | 112.2 | S303 | V299-S303 PolarHBondContact O-N 2.88Å |
| 300 | E | 61 | Low | 62.3 | Low | 146 Ų | 146 | 122.2 Ų | 122.2 | 68% | 0.682 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69.8 | -36 | 172.8 | -83.9 | -173.5 | 148.7 | 0 | 0 | 112.3 | S304 | E300-S304 WeakPolarHBondContact O-CB 3.22Å; E300-S304 PolarHBondContact O-N 3.15Å; E300-S304 VanDerWaalsContact O-N 3.14Å; E300-S304 PolarHBondContact O-OG 2.95Å |
| 301 | E | 65.4 | Low | 65 | Low | 102 Ų | 102 | 116.6 Ų | 116.6 | 48% | 0.477 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.3 | -38.6 | 175 | -77.2 | 178.6 | -170.5 | 0 | 0 | 112.5 | S297 S298 S304 K305 | S297-E301 WeakPolarHBondContact O-CG 3.5Å; S297-E301 PolarHBondContact O-N 3.46Å; S298-E301 PolarHBondContact O-N 3.36Å; E301-S304 PolarHBondContact O-N 3.29Å; E301-K305 VanDerWaalsContact O-CG 3.24Å; E301-K305 WeakPolarHBondContact O-CG 3.23Å; E301-K305 PolarHBondContact O-N 2.96Å |
| 302 | D | 72.4 | Confident | 67.4 | Low | 91 Ų | 91 | 117.3 Ų | 117.3 | 49% | 0.487 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -74.6 | -34.1 | -179.3 | -73.3 | -13.5 | 0 | 0 | 0 | 113.1 | S298 S304 K305 L306 | S298-D302 PolarHBondContact O-N 2.9Å; S298-D302 VanDerWaalsContact O-N 3.08Å; D302-S304 VanDerWaalsContact C-N 3.34Å; D302-K305 PolarHBondContact O-N 3.02Å; D302-K305 IonicContact OD1-NZ 3.77Å; D302-K305 PolarHBondContact OD1-NZ 3.25Å; D302-L306 WeakPolarHBondContact O-CB 3.5Å; D302-L306 PolarHBondContact O-N 3.33Å |
| 303 | S | 75.3 | Confident | 70.1 | Confident | 65 Ų | 65 | 114 Ų | 114 | 46% | 0.455 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.3 | -41.1 | 169.5 | -176.5 | 0 | 0 | 0 | 0 | 111.7 | V299 L306 N307 | V299-S303 PolarHBondContact O-N 2.88Å; S303-L306 PolarHBondContact O-N 3.5Å; S303-N307 PolarHBondContact O-N 3Å; S303-N307 PolarHBondContact O-ND2 3.48Å |
| 304 | S | 78.8 | Confident | 72.3 | Confident | 77 Ų | 77 | 105.3 Ų | 105.3 | 54% | 0.538 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.8 | -39.3 | 175.6 | -58.7 | 0 | 0 | 0 | 0 | 112.2 | E300 E301 D302 A308 | E300-S304 WeakPolarHBondContact O-CB 3.22Å; E300-S304 PolarHBondContact O-N 3.15Å; E300-S304 VanDerWaalsContact O-N 3.14Å; E300-S304 PolarHBondContact O-OG 2.95Å; E301-S304 PolarHBondContact O-N 3.29Å; D302-S304 VanDerWaalsContact C-N 3.34Å; S304-A308 WeakPolarHBondContact O-CB 3.46Å; S304-A308 PolarHBondContact O-N 3.32Å |
| 305 | K | 83.1 | Confident | 74.8 | Confident | 108 Ų | 108 | 103 Ų | 103 | 47% | 0.47 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 173.2 | -71.5 | 167.3 | -155.2 | 155.6 | 0 | 112 | E301 D302 A308 L309 | E301-K305 VanDerWaalsContact O-CG 3.24Å; E301-K305 WeakPolarHBondContact O-CG 3.23Å; E301-K305 PolarHBondContact O-N 2.96Å; D302-K305 PolarHBondContact O-N 3.02Å; D302-K305 IonicContact OD1-NZ 3.77Å; D302-K305 PolarHBondContact OD1-NZ 3.25Å; K305-A308 PolarHBondContact O-N 2.9Å; K305-L309 WeakPolarHBondContact O-CB 3.34Å; K305-L309 WeakPolarHBondContact O-CG 3.37Å; K305-L309 PolarHBondContact O-N 3.3Å |
| 306 | L | 84.4 | Confident | 77.2 | Confident | 115 Ų | 115 | 98.5 Ų | 98.5 | 60% | 0.602 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.3 | -45.2 | 176.8 | -176.2 | 67 | 0 | 0 | 0 | 111 | D302 S303 A308 L309 Q310 | D302-L306 WeakPolarHBondContact O-CB 3.5Å; D302-L306 PolarHBondContact O-N 3.33Å; S303-L306 PolarHBondContact O-N 3.5Å; L306-A308 PolarHBondContact O-N 3.32Å; L306-L309 PolarHBondContact O-N 2.99Å; L306-Q310 WeakPolarHBondContact O-CB 3.39Å; L306-Q310 PolarHBondContact O-N 2.92Å |
| 307 | N | 84.8 | Confident | 80 | Confident | 95 Ų | 95 | 95.9 Ų | 95.9 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 175.3 | -74.5 | -36.7 | 0 | 0 | 0 | 112.6 | S303 Q310 L311 | S303-N307 PolarHBondContact O-N 3Å; S303-N307 PolarHBondContact O-ND2 3.48Å; N307-Q310 PolarHBondContact O-N 3.37Å; N307-L311 PolarHBondContact O-N 3.35Å |
| 308 | A | 88.1 | Confident | 82.1 | Confident | 53 Ų | 53 | 100.3 Ų | 100.3 | 44% | 0.438 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66 | -37.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S304 K305 L306 R312 | S304-A308 WeakPolarHBondContact O-CB 3.46Å; S304-A308 PolarHBondContact O-N 3.32Å; K305-A308 PolarHBondContact O-N 2.9Å; L306-A308 PolarHBondContact O-N 3.32Å; A308-R312 WeakPolarHBondContact O-CB 3.47Å; A308-R312 WeakPolarHBondContact O-CG 3.29Å; A308-R312 PolarHBondContact O-N 2.89Å |
| 309 | L | 88.8 | Confident | 84.1 | Confident | 110 Ų | 110 | 101.2 Ų | 101.2 | 58% | 0.576 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.8 | -38.7 | 173.7 | -71.9 | 174.6 | 0 | 0 | 0 | 111.9 | K305 L306 R312 L313 | K305-L309 WeakPolarHBondContact O-CB 3.34Å; K305-L309 WeakPolarHBondContact O-CG 3.37Å; K305-L309 PolarHBondContact O-N 3.3Å; L306-L309 PolarHBondContact O-N 2.99Å; L309-R312 PolarHBondContact O-N 3.41Å; L309-L313 WeakPolarHBondContact O-CB 3.48Å; L309-L313 PolarHBondContact O-N 3.35Å |
| 310 | Q | 89.7 | Confident | 85.7 | Confident | 93 Ų | 93 | 100.3 Ų | 100.3 | 44% | 0.435 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.8 | -47.1 | 175.7 | -174.3 | 62.5 | 35.9 | 0 | 0 | 111.3 | L306 N307 R312 L313 D314 | L306-Q310 WeakPolarHBondContact O-CB 3.39Å; L306-Q310 PolarHBondContact O-N 2.92Å; N307-Q310 PolarHBondContact O-N 3.37Å; Q310-R312 VanDerWaalsContact C-N 3.33Å; Q310-R312 PolarHBondContact O-N 2.78Å; Q310-L313 WeakPolarHBondContact O-CB 3.23Å; Q310-L313 PolarHBondContact O-N 2.97Å; Q310-L313 VanDerWaalsContact O-N 3.13Å; Q310-D314 PolarHBondContact NE2-OD1 3.32Å; Q310-D314 PolarHBondContact NE2-OD2 3.22Å; Q310-D314 WeakPolarHBondContact O-CB 3.34Å; Q310-D314 PolarHBondContact O-N 3.47Å |
| 311 | L | 91.3 | Very high | 87.3 | Confident | 122 Ų | 122 | 97.9 Ų | 97.9 | 64% | 0.639 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60 | -41.5 | 174.7 | -79.6 | 164.2 | 0 | 0 | 0 | 112.1 | N307 L313 D314 E315 | N307-L311 PolarHBondContact O-N 3.35Å; L311-L313 VanDerWaalsContact C-N 3.35Å; L311-D314 PolarHBondContact O-N 2.89Å; L311-E315 WeakPolarHBondContact O-CB 3.49Å; L311-E315 PolarHBondContact O-N 3Å |
| 312 | R | 90.5 | Very high | 88.7 | Confident | 183 Ų | 183 | 99.1 Ų | 99.1 | 69% | 0.691 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.6 | -37.9 | 174.3 | -82 | -174.6 | 168.5 | -179.3 | -1.3 | 112.6 | A308 L309 Q310 S316 | A308-R312 WeakPolarHBondContact O-CB 3.47Å; A308-R312 WeakPolarHBondContact O-CG 3.29Å; A308-R312 PolarHBondContact O-N 2.89Å; L309-R312 PolarHBondContact O-N 3.41Å; Q310-R312 VanDerWaalsContact C-N 3.33Å; Q310-R312 PolarHBondContact O-N 2.78Å; R312-S316 VanDerWaalsContact O-CB 3.3Å; R312-S316 WeakPolarHBondContact O-CB 3.47Å; R312-S316 PolarHBondContact O-N 2.99Å; R312-S316 PolarHBondContact O-OG 3.26Å |
| 313 | L | 91.8 | Very high | 89.8 | Confident | 78 Ų | 78 | 100.1 Ų | 100.1 | 41% | 0.408 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.6 | -49.5 | 175 | 179.3 | 64 | 0 | 0 | 0 | 110.4 | L309 Q310 L311 E315 S316 Q317 | L309-L313 WeakPolarHBondContact O-CB 3.48Å; L309-L313 PolarHBondContact O-N 3.35Å; Q310-L313 WeakPolarHBondContact O-CB 3.23Å; Q310-L313 PolarHBondContact O-N 2.97Å; Q310-L313 VanDerWaalsContact O-N 3.13Å; L311-L313 VanDerWaalsContact C-N 3.35Å; L313-E315 VanDerWaalsContact C-N 3.31Å; L313-E315 PolarHBondContact O-N 3.39Å; L313-S316 WeakPolarHBondContact CA-OG 3.2Å; L313-S316 CarbonylContact O-C 3.59Å; L313-S316 PolarHBondContact O-N 2.91Å; L313-S316 VanDerWaalsContact O-N 3.13Å; L313-S316 PolarHBondContact O-OG 3.42Å; L313-Q317 HydrophobicContact CD1-CG 4.33Å; L313-Q317 HydrophobicContact CG-CG 4.47Å; L313-Q317 WeakPolarHBondContact O-CB 3.47Å; L313-Q317 WeakPolarHBondContact O-CG 3.41Å; L313-Q317 PolarHBondContact O-N 3.43Å |
| 314 | D | 91.4 | Very high | 90.7 | Very high | 70 Ų | 70 | 104.8 Ų | 104.8 | 37% | 0.374 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 179 | -65.5 | -20.1 | 0 | 0 | 0 | 111.2 | Q310 L311 Q317 K318 | Q310-D314 PolarHBondContact NE2-OD1 3.32Å; Q310-D314 PolarHBondContact NE2-OD2 3.22Å; Q310-D314 WeakPolarHBondContact O-CB 3.34Å; Q310-D314 PolarHBondContact O-N 3.47Å; L311-D314 PolarHBondContact O-N 2.89Å; D314-Q317 PolarHBondContact O-N 3.04Å; D314-K318 WeakPolarHBondContact O-CB 3.34Å; D314-K318 PolarHBondContact O-N 2.9Å |
| 315 | E | 93.6 | Very high | 91.5 | Very high | 132 Ų | 132 | 107.1 Ų | 107.1 | 62% | 0.617 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.3 | -45.7 | 172.5 | -173.7 | 170.4 | -149.6 | 0 | 0 | 111.2 | L311 L313 Q317 K318 V319 | L311-E315 WeakPolarHBondContact O-CB 3.49Å; L311-E315 PolarHBondContact O-N 3Å; L313-E315 VanDerWaalsContact C-N 3.31Å; L313-E315 PolarHBondContact O-N 3.39Å; E315-Q317 PolarHBondContact O-N 2.91Å; E315-K318 PolarHBondContact O-N 2.67Å; E315-V319 VanDerWaalsContact O-CG2 3.31Å; E315-V319 WeakPolarHBondContact O-CG2 3.44Å; E315-V319 PolarHBondContact O-N 3.38Å |
| 316 | S | 91.4 | Very high | 92.1 | Very high | 53 Ų | 53 | 105.8 Ų | 105.8 | 37% | 0.371 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.5 | -38.3 | 176.6 | 75.7 | 0 | 0 | 0 | 0 | 113.1 | R312 L313 V319 L320 | R312-S316 VanDerWaalsContact O-CB 3.3Å; R312-S316 WeakPolarHBondContact O-CB 3.47Å; R312-S316 PolarHBondContact O-N 2.99Å; R312-S316 PolarHBondContact O-OG 3.26Å; L313-S316 WeakPolarHBondContact CA-OG 3.2Å; L313-S316 CarbonylContact O-C 3.59Å; L313-S316 PolarHBondContact O-N 2.91Å; L313-S316 VanDerWaalsContact O-N 3.13Å; L313-S316 PolarHBondContact O-OG 3.42Å; S316-V319 PolarHBondContact O-N 2.83Å; S316-L320 WeakPolarHBondContact O-CG 3.5Å; S316-L320 PolarHBondContact O-N 3.33Å |
| 317 | Q | 93.9 | Very high | 92.7 | Very high | 98 Ų | 98 | 107.3 Ų | 107.3 | 46% | 0.458 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.9 | -40.6 | 176 | -74.2 | -179.7 | 5.2 | 0 | 0 | 111.1 | L313 D314 E315 L320 L321 | L313-Q317 HydrophobicContact CD1-CG 4.33Å; L313-Q317 HydrophobicContact CG-CG 4.47Å; L313-Q317 WeakPolarHBondContact O-CB 3.47Å; L313-Q317 WeakPolarHBondContact O-CG 3.41Å; L313-Q317 PolarHBondContact O-N 3.43Å; D314-Q317 PolarHBondContact O-N 3.04Å; E315-Q317 PolarHBondContact O-N 2.91Å; Q317-L320 PolarHBondContact O-N 3.48Å; Q317-L321 WeakPolarHBondContact O-CG 3.22Å; Q317-L321 PolarHBondContact O-N 3.36Å |
| 318 | K | 95.7 | Very high | 93.2 | Very high | 158 Ų | 158 | 107.8 Ų | 107.8 | 69% | 0.687 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.3 | -41.3 | 174.1 | -173.5 | 178.3 | -179.2 | -179.9 | 0 | 111.8 | D314 E315 L321 K322 | D314-K318 WeakPolarHBondContact O-CB 3.34Å; D314-K318 PolarHBondContact O-N 2.9Å; E315-K318 PolarHBondContact O-N 2.67Å; K318-L321 PolarHBondContact O-N 2.87Å; K318-K322 WeakPolarHBondContact O-CB 3.31Å; K318-K322 PolarHBondContact O-N 3.48Å |
| 319 | V | 94.6 | Very high | 93.6 | Very high | 71 Ų | 71 | 108 Ų | 108 | 43% | 0.43 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62 | -47.5 | 173.7 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | E315 S316 L321 K322 E323 | E315-V319 VanDerWaalsContact O-CG2 3.31Å; E315-V319 WeakPolarHBondContact O-CG2 3.44Å; E315-V319 PolarHBondContact O-N 3.38Å; S316-V319 PolarHBondContact O-N 2.83Å; V319-L321 PolarHBondContact O-N 3.42Å; V319-K322 PolarHBondContact O-N 3.28Å; V319-E323 HydrophobicContact CG1-CG 4.27Å; V319-E323 WeakPolarHBondContact O-CB 3.41Å; V319-E323 WeakPolarHBondContact O-CG 3.46Å; V319-E323 PolarHBondContact O-N 2.92Å |
| 320 | L | 93.9 | Very high | 93.9 | Very high | 87 Ų | 87 | 108 Ų | 108 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 177.7 | -75.8 | 173.2 | 0 | 0 | 0 | 113.3 | S316 Q317 E323 R324 | S316-L320 WeakPolarHBondContact O-CG 3.5Å; S316-L320 PolarHBondContact O-N 3.33Å; Q317-L320 PolarHBondContact O-N 3.48Å; L320-E323 PolarHBondContact O-N 2.87Å; L320-R324 WeakPolarHBondContact O-CB 3.32Å; L320-R324 VanDerWaalsContact O-CG 3.26Å; L320-R324 WeakPolarHBondContact O-CG 3.45Å; L320-R324 PolarHBondContact O-N 2.93Å |
| 321 | L | 94.4 | Very high | 94.2 | Very high | 95 Ų | 95 | 105.9 Ų | 105.9 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.6 | -46.6 | 174.6 | -76 | 174 | 0 | 0 | 0 | 110.8 | Q317 K318 V319 E323 R324 E325 | Q317-L321 WeakPolarHBondContact O-CG 3.22Å; Q317-L321 PolarHBondContact O-N 3.36Å; K318-L321 PolarHBondContact O-N 2.87Å; V319-L321 PolarHBondContact O-N 3.42Å; L321-E323 PolarHBondContact O-N 2.81Å; L321-R324 WeakPolarHBondContact O-CB 3.45Å; L321-R324 PolarHBondContact O-N 3.07Å; L321-R324 VanDerWaalsContact O-N 3.14Å; L321-E325 WeakPolarHBondContact O-CG 3.3Å; L321-E325 PolarHBondContact O-N 3.45Å |
| 322 | K | 95.3 | Very high | 94.5 | Very high | 127 Ų | 127 | 106.4 Ų | 106.4 | 55% | 0.552 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.7 | -43.9 | 175.6 | -172.4 | 179.5 | 177.5 | -174.9 | 0 | 111.7 | K318 V319 R324 E325 D326 | K318-K322 WeakPolarHBondContact O-CB 3.31Å; K318-K322 PolarHBondContact O-N 3.48Å; V319-K322 PolarHBondContact O-N 3.28Å; K322-R324 VanDerWaalsContact C-N 3.29Å; K322-R324 PolarHBondContact O-N 3.41Å; K322-E325 PolarHBondContact O-N 3.5Å; K322-D326 WeakPolarHBondContact O-CB 3.47Å; K322-D326 VanDerWaalsContact O-CG 3.22Å; K322-D326 PolarHBondContact O-N 3.48Å |
| 323 | E | 94.9 | Very high | 94.8 | Very high | 112 Ų | 112 | 99.3 Ų | 99.3 | 52% | 0.523 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.5 | -35.6 | 175 | -74.1 | 177.1 | 174.6 | 0 | 0 | 112.4 | V319 L320 L321 K327 | V319-E323 HydrophobicContact CG1-CG 4.27Å; V319-E323 WeakPolarHBondContact O-CB 3.41Å; V319-E323 WeakPolarHBondContact O-CG 3.46Å; V319-E323 PolarHBondContact O-N 2.92Å; L320-E323 PolarHBondContact O-N 2.87Å; L321-E323 PolarHBondContact O-N 2.81Å; E323-K327 WeakPolarHBondContact O-CB 3.42Å; E323-K327 PolarHBondContact O-N 3.43Å |
| 324 | R | 94.9 | Very high | 95 | Very high | 163 Ų | 163 | 100 Ų | 100 | 62% | 0.615 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -69 | -43 | 173.6 | -74.9 | 171.3 | -179.7 | 179.9 | 1.5 | 112 | L320 L321 K322 K327 L328 | L320-R324 WeakPolarHBondContact O-CB 3.32Å; L320-R324 VanDerWaalsContact O-CG 3.26Å; L320-R324 WeakPolarHBondContact O-CG 3.45Å; L320-R324 PolarHBondContact O-N 2.93Å; L321-R324 WeakPolarHBondContact O-CB 3.45Å; L321-R324 PolarHBondContact O-N 3.07Å; L321-R324 VanDerWaalsContact O-N 3.14Å; K322-R324 VanDerWaalsContact C-N 3.29Å; K322-R324 PolarHBondContact O-N 3.41Å; R324-K327 PolarHBondContact O-N 2.89Å; R324-L328 WeakPolarHBondContact O-CB 3.31Å; R324-L328 WeakPolarHBondContact O-CG 3.46Å; R324-L328 PolarHBondContact O-N 3.23Å |
| 325 | E | 95.5 | Very high | 95.2 | Very high | 126 Ų | 126 | 102.3 Ų | 102.3 | 59% | 0.589 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.4 | -46.7 | 175.2 | -72.5 | 171.9 | 178.6 | 0 | 0 | 111.1 | L321 K322 K327 L328 A329 | L321-E325 WeakPolarHBondContact O-CG 3.3Å; L321-E325 PolarHBondContact O-N 3.45Å; K322-E325 PolarHBondContact O-N 3.5Å; E325-K327 PolarHBondContact O-N 3.46Å; E325-L328 PolarHBondContact O-N 2.98Å; E325-A329 WeakPolarHBondContact O-CB 3.37Å; E325-A329 PolarHBondContact O-N 2.67Å |
| 326 | D | 95.6 | Very high | 95.4 | Very high | 81 Ų | 81 | 102.2 Ų | 102.2 | 43% | 0.433 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 175.8 | -70.9 | -20.4 | 0 | 0 | 0 | 110.7 | K322 L328 A329 L330 | K322-D326 WeakPolarHBondContact O-CB 3.47Å; K322-D326 VanDerWaalsContact O-CG 3.22Å; K322-D326 PolarHBondContact O-N 3.48Å; D326-L328 PolarHBondContact O-N 2.97Å; D326-A329 PolarHBondContact O-N 3.05Å; D326-L330 WeakPolarHBondContact O-CB 3.36Å; D326-L330 VanDerWaalsContact O-CG 3.25Å; D326-L330 WeakPolarHBondContact O-CG 3.42Å; D326-L330 PolarHBondContact O-N 2.8Å |
| 327 | K | 96.7 | Very high | 95.6 | Very high | 146 Ų | 146 | 104.4 Ų | 104.4 | 64% | 0.635 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.8 | -45.5 | 173.8 | -178.2 | -178.8 | 177.7 | -178.8 | 0 | 111.7 | E323 R324 E325 A329 L330 S331 | E323-K327 WeakPolarHBondContact O-CB 3.42Å; E323-K327 PolarHBondContact O-N 3.43Å; R324-K327 PolarHBondContact O-N 2.89Å; E325-K327 PolarHBondContact O-N 3.46Å; K327-A329 VanDerWaalsContact C-N 3.35Å; K327-L330 PolarHBondContact O-N 3.46Å; K327-S331 WeakPolarHBondContact O-CB 3.44Å; K327-S331 PolarHBondContact O-N 2.86Å; K327-S331 PolarHBondContact O-OG 3.28Å |
| 328 | L | 96.1 | Very high | 95.7 | Very high | 106 Ų | 106 | 105.1 Ų | 105.1 | 56% | 0.555 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.4 | -39.6 | 177.1 | -74.6 | 170.8 | 0 | 0 | 0 | 111.7 | R324 E325 D326 S331 K332 | R324-L328 WeakPolarHBondContact O-CB 3.31Å; R324-L328 WeakPolarHBondContact O-CG 3.46Å; R324-L328 PolarHBondContact O-N 3.23Å; E325-L328 PolarHBondContact O-N 2.98Å; D326-L328 PolarHBondContact O-N 2.97Å; L328-S331 PolarHBondContact O-N 3.3Å; L328-K332 WeakPolarHBondContact O-CG 3.45Å; L328-K332 PolarHBondContact O-N 2.94Å |
| 329 | A | 95.8 | Very high | 95.8 | Very high | 56 Ų | 56 | 102 Ų | 102 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E325 D326 K327 S333 | E325-A329 WeakPolarHBondContact O-CB 3.37Å; E325-A329 PolarHBondContact O-N 2.67Å; D326-A329 PolarHBondContact O-N 3.05Å; K327-A329 VanDerWaalsContact C-N 3.35Å; A329-S333 WeakPolarHBondContact O-CB 3.41Å; A329-S333 PolarHBondContact O-N 3.03Å |
| 330 | L | 95.8 | Very high | 95.9 | Very high | 112 Ų | 112 | 102.8 Ų | 102.8 | 59% | 0.586 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.9 | -45.8 | 174.2 | -72.4 | 172 | 0 | 0 | 0 | 111.6 | D326 K327 K332 S333 I334 | D326-L330 WeakPolarHBondContact O-CB 3.36Å; D326-L330 VanDerWaalsContact O-CG 3.25Å; D326-L330 WeakPolarHBondContact O-CG 3.42Å; D326-L330 PolarHBondContact O-N 2.8Å; K327-L330 PolarHBondContact O-N 3.46Å; L330-K332 PolarHBondContact O-N 3.27Å; L330-S333 CarbonylContact O-C 3.58Å; L330-S333 WeakPolarHBondContact O-CA 3.3Å; L330-S333 WeakPolarHBondContact O-CB 3.4Å; L330-S333 PolarHBondContact O-N 3.27Å; L330-I334 WeakPolarHBondContact O-CG1 3.34Å; L330-I334 PolarHBondContact O-N 3.47Å |
| 331 | S | 95.6 | Very high | 96 | Very high | 47 Ų | 47 | 103.1 Ų | 103.1 | 33% | 0.329 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.4 | -47 | 176.1 | -69.4 | 0 | 0 | 0 | 0 | 112 | K327 L328 S333 I334 E335 | K327-S331 WeakPolarHBondContact O-CB 3.44Å; K327-S331 PolarHBondContact O-N 2.86Å; K327-S331 PolarHBondContact O-OG 3.28Å; L328-S331 PolarHBondContact O-N 3.3Å; S331-S333 PolarHBondContact O-N 3.47Å; S331-I334 PolarHBondContact O-N 2.98Å; S331-I334 VanDerWaalsContact O-N 3.14Å; S331-E335 WeakPolarHBondContact O-CG 3.28Å; S331-E335 PolarHBondContact O-N 3.47Å |
| 332 | K | 96.9 | Very high | 96.1 | Very high | 133 Ų | 133 | 101.9 Ų | 101.9 | 58% | 0.578 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62 | -32.4 | 173.8 | -71.8 | 174.3 | -178.6 | 177.9 | 0 | 112.5 | L328 L330 R336 | L328-K332 WeakPolarHBondContact O-CG 3.45Å; L328-K332 PolarHBondContact O-N 2.94Å; L330-K332 PolarHBondContact O-N 3.27Å; K332-R336 WeakPolarHBondContact O-CB 3.18Å; K332-R336 WeakPolarHBondContact O-CG 3.48Å; K332-R336 PolarHBondContact O-N 3.49Å; K332-R336 VanDerWaalsContact O-N 3.14Å; K332-R336 PolarHBondContact O-NE 3.11Å |
| 333 | S | 96.5 | Very high | 96.2 | Very high | 35 Ų | 35 | 101.1 Ų | 101.1 | 25% | 0.245 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -70.6 | -39 | 174.7 | -160.3 | 0 | 0 | 0 | 0 | 112.3 | A329 L330 S331 R336 L337 | A329-S333 WeakPolarHBondContact O-CB 3.41Å; A329-S333 PolarHBondContact O-N 3.03Å; L330-S333 CarbonylContact O-C 3.58Å; L330-S333 WeakPolarHBondContact O-CA 3.3Å; L330-S333 WeakPolarHBondContact O-CB 3.4Å; L330-S333 PolarHBondContact O-N 3.27Å; S331-S333 PolarHBondContact O-N 3.47Å; S333-R336 VanDerWaalsContact CA-NH2 3.33Å; S333-R336 PolarHBondContact O-N 3.13Å; S333-R336 PolarHBondContact OG-NH2 2.97Å; S333-L337 WeakPolarHBondContact O-CB 3.46Å; S333-L337 VanDerWaalsContact O-CG 3.24Å; S333-L337 WeakPolarHBondContact O-CG 3.41Å; S333-L337 PolarHBondContact O-N 3.28Å |
| 334 | I | 96.1 | Very high | 96.3 | Very high | 92 Ų | 92 | 103 Ų | 103 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.2 | -49 | 175.4 | -68.9 | 164.4 | 0 | 0 | 0 | 109.9 | L330 S331 R336 L337 E338 | L330-I334 WeakPolarHBondContact O-CG1 3.34Å; L330-I334 PolarHBondContact O-N 3.47Å; S331-I334 PolarHBondContact O-N 2.98Å; S331-I334 VanDerWaalsContact O-N 3.14Å; I334-R336 VanDerWaalsContact C-N 3.3Å; I334-R336 PolarHBondContact O-N 2.83Å; I334-L337 CarbonylContact O-C 3.54Å; I334-L337 WeakPolarHBondContact O-CA 3.45Å; I334-L337 PolarHBondContact O-N 3.33Å; I334-E338 HydrophobicContact CG2-CG 4.16Å; I334-E338 WeakPolarHBondContact O-CB 3.35Å; I334-E338 WeakPolarHBondContact O-CG 3.49Å; I334-E338 PolarHBondContact O-N 3.41Å |
| 335 | E | 96.4 | Very high | 96.4 | Very high | 118 Ų | 118 | 101 Ų | 101 | 55% | 0.551 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -57.8 | -42.9 | 177.6 | -71.7 | 171 | -170.8 | 0 | 0 | 111.7 | S331 E338 T339 | S331-E335 WeakPolarHBondContact O-CG 3.28Å; S331-E335 PolarHBondContact O-N 3.47Å; E335-E338 PolarHBondContact O-N 2.88Å; E335-T339 WeakPolarHBondContact O-CG2 3.35Å; E335-T339 PolarHBondContact O-N 2.84Å; E335-T339 PolarHBondContact O-OG1 3.35Å; E335-T339 VanDerWaalsContact O-OG1 3.07Å |
| 336 | R | 97.2 | Very high | 96.5 | Very high | 130 Ų | 130 | 99.4 Ų | 99.4 | 49% | 0.491 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 173 | -77.4 | -175 | -66.1 | 104.3 | -3.5 | 111.8 | K332 S333 I334 E338 T339 E340 | K332-R336 WeakPolarHBondContact O-CB 3.18Å; K332-R336 WeakPolarHBondContact O-CG 3.48Å; K332-R336 PolarHBondContact O-N 3.49Å; K332-R336 VanDerWaalsContact O-N 3.14Å; K332-R336 PolarHBondContact O-NE 3.11Å; S333-R336 VanDerWaalsContact CA-NH2 3.33Å; S333-R336 PolarHBondContact O-N 3.13Å; S333-R336 PolarHBondContact OG-NH2 2.97Å; I334-R336 VanDerWaalsContact C-N 3.3Å; I334-R336 PolarHBondContact O-N 2.83Å; R336-E338 VanDerWaalsContact C-N 3.33Å; R336-E338 PolarHBondContact O-N 3.29Å; R336-T339 WeakPolarHBondContact CA-OG1 3.44Å; R336-T339 PolarHBondContact O-N 3.36Å; R336-T339 PolarHBondContact O-OG1 3.42Å; R336-E340 WeakPolarHBondContact O-CB 3.41Å; R336-E340 VanDerWaalsContact O-CG 3.26Å; R336-E340 WeakPolarHBondContact O-CG 3.47Å; R336-E340 PolarHBondContact O-N 3.12Å |
| 337 | L | 96.1 | Very high | 96.6 | Very high | 99 Ų | 99 | 101 Ų | 101 | 52% | 0.518 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.6 | -35.1 | 177.2 | -70.8 | 170 | 0 | 0 | 0 | 112.7 | S333 I334 L341 | S333-L337 WeakPolarHBondContact O-CB 3.46Å; S333-L337 VanDerWaalsContact O-CG 3.24Å; S333-L337 WeakPolarHBondContact O-CG 3.41Å; S333-L337 PolarHBondContact O-N 3.28Å; I334-L337 CarbonylContact O-C 3.54Å; I334-L337 WeakPolarHBondContact O-CA 3.45Å; I334-L337 PolarHBondContact O-N 3.33Å; L337-L341 WeakPolarHBondContact O-CB 3.27Å; L337-L341 PolarHBondContact O-N 2.95Å |
| 338 | E | 96.7 | Very high | 96.6 | Very high | 114 Ų | 114 | 102 Ų | 102 | 53% | 0.533 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.5 | -41.8 | 177.1 | -74.8 | 174.2 | 163.3 | 0 | 0 | 111.9 | I334 E335 R336 L341 S342 | I334-E338 HydrophobicContact CG2-CG 4.16Å; I334-E338 WeakPolarHBondContact O-CB 3.35Å; I334-E338 WeakPolarHBondContact O-CG 3.49Å; I334-E338 PolarHBondContact O-N 3.41Å; E335-E338 PolarHBondContact O-N 2.88Å; R336-E338 VanDerWaalsContact C-N 3.33Å; R336-E338 PolarHBondContact O-N 3.29Å; E338-L341 PolarHBondContact O-N 3.03Å; E338-S342 WeakPolarHBondContact O-CB 3.38Å; E338-S342 PolarHBondContact O-N 2.85Å; E338-S342 PolarHBondContact O-OG 3.36Å |
| 339 | T | 97.3 | Very high | 96.7 | Very high | 91 Ų | 91 | 101.8 Ų | 101.8 | 56% | 0.558 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.1 | -42.9 | 174 | 53.7 | 0 | 0 | 0 | 0 | 112 | E335 R336 S342 H343 | E335-T339 WeakPolarHBondContact O-CG2 3.35Å; E335-T339 PolarHBondContact O-N 2.84Å; E335-T339 PolarHBondContact O-OG1 3.35Å; E335-T339 VanDerWaalsContact O-OG1 3.07Å; R336-T339 WeakPolarHBondContact CA-OG1 3.44Å; R336-T339 PolarHBondContact O-N 3.36Å; R336-T339 PolarHBondContact O-OG1 3.42Å; T339-S342 PolarHBondContact O-N 3.42Å; T339-H343 WeakPolarHBondContact O-CB 3.35Å; T339-H343 PolarHBondContact O-N 3.48Å |
| 340 | E | 96.8 | Very high | 96.8 | Very high | 88 Ų | 88 | 103 Ų | 103 | 41% | 0.411 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.2 | -45.1 | 172.6 | -74.6 | 171 | -158 | 0 | 0 | 111 | R336 S342 H343 W344 | R336-E340 WeakPolarHBondContact O-CB 3.41Å; R336-E340 VanDerWaalsContact O-CG 3.26Å; R336-E340 WeakPolarHBondContact O-CG 3.47Å; R336-E340 PolarHBondContact O-N 3.12Å; E340-S342 VanDerWaalsContact C-N 3.34Å; E340-S342 PolarHBondContact O-N 3.15Å; E340-H343 WeakPolarHBondContact O-CB 3.49Å; E340-H343 PolarHBondContact O-N 2.98Å; E340-W344 PolarHBondContact O-N 3.47Å |
| 341 | L | 95.3 | Very high | 96.8 | Very high | 94 Ų | 94 | 103.4 Ų | 103.4 | 49% | 0.492 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 177.2 | -178.3 | 141.1 | 0 | 0 | 0 | 111.9 | L337 E338 W344 K345 | L337-L341 WeakPolarHBondContact O-CB 3.27Å; L337-L341 PolarHBondContact O-N 2.95Å; E338-L341 PolarHBondContact O-N 3.03Å; L341-W344 PolarHBondContact O-N 2.96Å; L341-K345 HydrophobicContact CD2-CD 3.97Å; L341-K345 VanDerWaalsContact CD2-CE 3.41Å; L341-K345 WeakPolarHBondContact O-CG 3.42Å; L341-K345 PolarHBondContact O-N 3.37Å |
| 342 | S | 96.7 | Very high | 96.9 | Very high | 69 Ų | 69 | 104 Ų | 104 | 48% | 0.483 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.5 | -40.8 | 174.8 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | E338 T339 E340 K345 L346 | E338-S342 WeakPolarHBondContact O-CB 3.38Å; E338-S342 PolarHBondContact O-N 2.85Å; E338-S342 PolarHBondContact O-OG 3.36Å; T339-S342 PolarHBondContact O-N 3.42Å; E340-S342 VanDerWaalsContact C-N 3.34Å; E340-S342 PolarHBondContact O-N 3.15Å; S342-K345 PolarHBondContact O-N 3.26Å; S342-L346 PolarHBondContact O-N 3.23Å; S342-L346 VanDerWaalsContact O-N 3.11Å |
| 343 | H | 97.2 | Very high | 96.9 | Very high | 112 Ų | 112 | 103 Ų | 103 | 52% | 0.519 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 174.3 | 176.8 | 70.1 | 0 | 0 | 0 | 111.9 | T339 E340 K345 L346 K347 | T339-H343 WeakPolarHBondContact O-CB 3.35Å; T339-H343 PolarHBondContact O-N 3.48Å; E340-H343 WeakPolarHBondContact O-CB 3.49Å; E340-H343 PolarHBondContact O-N 2.98Å; H343-K345 VanDerWaalsContact C-N 3.35Å; H343-K345 PolarHBondContact O-N 3Å; H343-L346 PolarHBondContact O-N 3.49Å; H343-K347 WeakPolarHBondContact O-CB 3.45Å; H343-K347 PolarHBondContact O-N 3Å |
| 344 | W | 97.4 | Very high | 97 | Very high | 150 Ų | 150 | 104.5 Ų | 104.5 | 57% | 0.568 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66 | -34.7 | 177.6 | -74.7 | 117.8 | 0 | 0 | 0 | 113 | E340 L341 K347 Y348 | E340-W344 PolarHBondContact O-N 3.47Å; L341-W344 PolarHBondContact O-N 2.96Å; W344-K347 HydrophobicContact CE3-CD 3.95Å; W344-K347 HydrophobicContact CZ3-CD 3.74Å; W344-K347 PolarHBondContact O-N 3.48Å; W344-Y348 WeakPolarHBondContact O-CB 3.36Å; W344-Y348 PolarHBondContact O-N 3.27Å |
| 345 | K | 97.3 | Very high | 97 | Very high | 123 Ų | 123 | 106.9 Ų | 106.9 | 54% | 0.535 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.7 | -50 | 172.5 | -78.2 | 174 | 175.6 | 176.4 | 0 | 112 | L341 S342 H343 K347 Y348 E349 | L341-K345 HydrophobicContact CD2-CD 3.97Å; L341-K345 VanDerWaalsContact CD2-CE 3.41Å; L341-K345 WeakPolarHBondContact O-CG 3.42Å; L341-K345 PolarHBondContact O-N 3.37Å; S342-K345 PolarHBondContact O-N 3.26Å; H343-K345 VanDerWaalsContact C-N 3.35Å; H343-K345 PolarHBondContact O-N 3Å; K345-K347 VanDerWaalsContact C-N 3.31Å; K345-K347 PolarHBondContact O-N 2.87Å; K345-Y348 WeakPolarHBondContact O-CB 3.4Å; K345-Y348 PolarHBondContact O-N 3.26Å; K345-Y348 VanDerWaalsContact O-N 3.16Å; K345-E349 WeakPolarHBondContact O-CG 3.49Å; K345-E349 PolarHBondContact O-N 2.86Å |
| 346 | L | 97.5 | Very high | 97.1 | Very high | 92 Ų | 92 | 106.1 Ų | 106.1 | 48% | 0.482 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 178.5 | -176.5 | 65 | 0 | 0 | 0 | 111.2 | S342 H343 Y348 E349 D350 | S342-L346 PolarHBondContact O-N 3.23Å; S342-L346 VanDerWaalsContact O-N 3.11Å; H343-L346 PolarHBondContact O-N 3.49Å; L346-Y348 VanDerWaalsContact C-N 3.3Å; L346-Y348 PolarHBondContact O-N 2.86Å; L346-E349 PolarHBondContact O-N 2.98Å; L346-E349 VanDerWaalsContact O-N 3.16Å; L346-D350 PolarHBondContact O-N 3.15Å |
| 347 | K | 97.6 | Very high | 97.1 | Very high | 113 Ų | 113 | 105.4 Ų | 105.4 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.5 | -38 | 176.6 | -171.2 | 170.8 | -178.5 | 176.3 | 0 | 112.5 | H343 W344 K345 L351 | H343-K347 WeakPolarHBondContact O-CB 3.45Å; H343-K347 PolarHBondContact O-N 3Å; W344-K347 HydrophobicContact CE3-CD 3.95Å; W344-K347 HydrophobicContact CZ3-CD 3.74Å; W344-K347 PolarHBondContact O-N 3.48Å; K345-K347 VanDerWaalsContact C-N 3.31Å; K345-K347 PolarHBondContact O-N 2.87Å; K347-L351 VanDerWaalsContact O-CB 3.31Å; K347-L351 WeakPolarHBondContact O-CB 3.39Å; K347-L351 PolarHBondContact O-N 2.84Å |
| 348 | Y | 97.3 | Very high | 97.1 | Very high | 168 Ų | 168 | 103.1 Ų | 103.1 | 66% | 0.659 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.5 | -43.5 | 174 | 176.1 | -94.8 | 0 | 0 | 0 | 111.8 | W344 K345 L346 L351 S352 | W344-Y348 WeakPolarHBondContact O-CB 3.36Å; W344-Y348 PolarHBondContact O-N 3.27Å; K345-Y348 WeakPolarHBondContact O-CB 3.4Å; K345-Y348 PolarHBondContact O-N 3.26Å; K345-Y348 VanDerWaalsContact O-N 3.16Å; L346-Y348 VanDerWaalsContact C-N 3.3Å; L346-Y348 PolarHBondContact O-N 2.86Å; Y348-L351 PolarHBondContact O-N 3.48Å; Y348-S352 WeakPolarHBondContact O-CB 3.42Å; Y348-S352 PolarHBondContact O-N 2.86Å |
| 349 | E | 97.4 | Very high | 97.1 | Very high | 102 Ų | 102 | 101.1 Ų | 101.1 | 48% | 0.477 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 176.7 | -71.9 | 175.7 | -166.8 | 0 | 0 | 112.2 | K345 L346 S352 K353 | K345-E349 WeakPolarHBondContact O-CG 3.49Å; K345-E349 PolarHBondContact O-N 2.86Å; L346-E349 PolarHBondContact O-N 2.98Å; L346-E349 VanDerWaalsContact O-N 3.16Å; E349-S352 WeakPolarHBondContact O-CB 3.33Å; E349-S352 PolarHBondContact O-N 3.46Å; E349-K353 WeakPolarHBondContact O-CG 3.35Å; E349-K353 PolarHBondContact O-N 3.32Å |
| 350 | D | 96.9 | Very high | 97.1 | Very high | 82 Ų | 82 | 103.1 Ų | 103.1 | 44% | 0.439 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.8 | -42 | 177.4 | -70.8 | -20 | 0 | 0 | 0 | 111.8 | L346 S352 K353 S354 | L346-D350 PolarHBondContact O-N 3.15Å; D350-S352 VanDerWaalsContact C-N 3.29Å; D350-S352 PolarHBondContact O-N 2.92Å; D350-K353 PolarHBondContact O-N 2.96Å; D350-K353 IonicContact OD1-NZ 3.75Å; D350-S354 WeakPolarHBondContact O-CB 3.47Å; D350-S354 PolarHBondContact O-N 3.16Å |
| 351 | L | 96.9 | Very high | 97.2 | Very high | 120 Ų | 120 | 105.4 Ų | 105.4 | 63% | 0.628 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.4 | -38.7 | 173.4 | -173.2 | 65.7 | 0 | 0 | 0 | 111.4 | K347 Y348 S354 K355 | K347-L351 VanDerWaalsContact O-CB 3.31Å; K347-L351 WeakPolarHBondContact O-CB 3.39Å; K347-L351 PolarHBondContact O-N 2.84Å; Y348-L351 PolarHBondContact O-N 3.48Å; L351-S354 PolarHBondContact O-N 3.39Å; L351-K355 WeakPolarHBondContact O-CB 3.45Å; L351-K355 PolarHBondContact O-N 2.68Å |
| 352 | S | 97.3 | Very high | 97.3 | Very high | 59 Ų | 59 | 104.8 Ų | 104.8 | 41% | 0.413 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.2 | -39.8 | 176.3 | -171.4 | 0 | 0 | 0 | 0 | 112.2 | Y348 E349 D350 Q356 | Y348-S352 WeakPolarHBondContact O-CB 3.42Å; Y348-S352 PolarHBondContact O-N 2.86Å; E349-S352 WeakPolarHBondContact O-CB 3.33Å; E349-S352 PolarHBondContact O-N 3.46Å; D350-S352 VanDerWaalsContact C-N 3.29Å; D350-S352 PolarHBondContact O-N 2.92Å; S352-Q356 PolarHBondContact O-N 3.49Å |
| 353 | K | 97.9 | Very high | 97.3 | Very high | 113 Ų | 113 | 105.9 Ų | 105.9 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.6 | -47 | 174.6 | -70.6 | 169.8 | -168.6 | 158.1 | 0 | 111.4 | E349 D350 K355 Q356 E357 | E349-K353 WeakPolarHBondContact O-CG 3.35Å; E349-K353 PolarHBondContact O-N 3.32Å; D350-K353 PolarHBondContact O-N 2.96Å; D350-K353 IonicContact OD1-NZ 3.75Å; K353-K355 VanDerWaalsContact C-N 3.3Å; K353-K355 PolarHBondContact O-N 3.16Å; K353-Q356 PolarHBondContact O-N 3.16Å; K353-E357 WeakPolarHBondContact O-CG 2.88Å; K353-E357 PolarHBondContact O-N 3.35Å |
| 354 | S | 97 | Very high | 97.3 | Very high | 66 Ų | 66 | 105.2 Ų | 105.2 | 46% | 0.462 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.7 | -41.8 | 176.5 | 178.8 | 0 | 0 | 0 | 0 | 111.7 | D350 L351 Q356 E357 A358 | D350-S354 WeakPolarHBondContact O-CB 3.47Å; D350-S354 PolarHBondContact O-N 3.16Å; L351-S354 PolarHBondContact O-N 3.39Å; S354-Q356 PolarHBondContact O-N 2.93Å; S354-E357 PolarHBondContact O-N 3.45Å; S354-A358 WeakPolarHBondContact O-CB 3.29Å; S354-A358 PolarHBondContact O-N 2.91Å |
| 355 | K | 97.8 | Very high | 97.3 | Very high | 142 Ų | 142 | 102.4 Ų | 102.4 | 62% | 0.617 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.6 | -46.6 | 171.9 | -180 | -173.8 | 173.7 | -174.7 | 0 | 111.6 | L351 K353 A358 L359 | L351-K355 WeakPolarHBondContact O-CB 3.45Å; L351-K355 PolarHBondContact O-N 2.68Å; K353-K355 VanDerWaalsContact C-N 3.3Å; K353-K355 PolarHBondContact O-N 3.16Å; K355-A358 PolarHBondContact O-N 3.1Å; K355-L359 HydrophobicContact CG-CD1 4.36Å; K355-L359 WeakPolarHBondContact O-CG 3.31Å; K355-L359 PolarHBondContact O-N 2.88Å |
| 356 | Q | 97.7 | Very high | 97.3 | Very high | 102 Ų | 102 | 102.5 Ų | 102.5 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.5 | -37.3 | -179.6 | -170.5 | 63.4 | 14.5 | 0 | 0 | 112.4 | S352 K353 S354 L359 K360 | S352-Q356 PolarHBondContact O-N 3.49Å; K353-Q356 PolarHBondContact O-N 3.16Å; S354-Q356 PolarHBondContact O-N 2.93Å; Q356-L359 PolarHBondContact O-N 3.03Å; Q356-K360 WeakPolarHBondContact O-CG 3.32Å; Q356-K360 PolarHBondContact O-N 2.88Å |
| 357 | E | 96.6 | Very high | 97.3 | Very high | 114 Ų | 114 | 103.4 Ų | 103.4 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.9 | -44.4 | 174.4 | -73.2 | 169.5 | -173.2 | 0 | 0 | 111.6 | K353 S354 L359 K360 Q361 | K353-E357 WeakPolarHBondContact O-CG 2.88Å; K353-E357 PolarHBondContact O-N 3.35Å; S354-E357 PolarHBondContact O-N 3.45Å; E357-L359 VanDerWaalsContact C-N 3.3Å; E357-L359 PolarHBondContact O-N 3.48Å; E357-K360 PolarHBondContact O-N 3.32Å; E357-Q361 WeakPolarHBondContact O-CG 3.37Å; E357-Q361 PolarHBondContact O-N 3.29Å |
| 358 | A | 96.3 | Very high | 97.3 | Very high | 52 Ų | 52 | 102.3 Ų | 102.3 | 43% | 0.43 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.2 | -40.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S354 K355 Q361 L362 | S354-A358 WeakPolarHBondContact O-CB 3.29Å; S354-A358 PolarHBondContact O-N 2.91Å; K355-A358 PolarHBondContact O-N 3.1Å; A358-Q361 PolarHBondContact O-N 3.46Å; A358-L362 WeakPolarHBondContact O-CB 3.41Å; A358-L362 PolarHBondContact O-N 3.44Å |
| 359 | L | 97.4 | Very high | 97.3 | Very high | 72 Ų | 72 | 99.7 Ų | 99.7 | 38% | 0.377 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 174.7 | -73.2 | 173.5 | 0 | 0 | 0 | 112.5 | K355 Q356 E357 L362 N363 | K355-L359 HydrophobicContact CG-CD1 4.36Å; K355-L359 WeakPolarHBondContact O-CG 3.31Å; K355-L359 PolarHBondContact O-N 2.88Å; Q356-L359 PolarHBondContact O-N 3.03Å; E357-L359 VanDerWaalsContact C-N 3.3Å; E357-L359 PolarHBondContact O-N 3.48Å; L359-L362 PolarHBondContact O-N 3.31Å; L359-N363 VanDerWaalsContact O-CG 3.31Å; L359-N363 PolarHBondContact O-N 2.83Å; L359-N363 PolarHBondContact O-ND2 3.49Å |
| 360 | K | 97.8 | Very high | 97.3 | Very high | 132 Ų | 132 | 101.5 Ų | 101.5 | 57% | 0.574 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.2 | -44.5 | 174.9 | -74.1 | 173.5 | -179 | 177.5 | 0 | 111.7 | Q356 E357 L362 N363 L364 | Q356-K360 WeakPolarHBondContact O-CG 3.32Å; Q356-K360 PolarHBondContact O-N 2.88Å; E357-K360 PolarHBondContact O-N 3.32Å; K360-L362 VanDerWaalsContact C-N 3.34Å; K360-N363 PolarHBondContact O-N 3Å; K360-L364 PolarHBondContact O-N 3.04Å |
| 361 | Q | 97.5 | Very high | 97.3 | Very high | 136 Ų | 136 | 101.9 Ų | 101.9 | 64% | 0.636 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.6 | -43.2 | 176.1 | -72.9 | 175.7 | -3.6 | 0 | 0 | 111.4 | E357 A358 N363 L364 L365 | E357-Q361 WeakPolarHBondContact O-CG 3.37Å; E357-Q361 PolarHBondContact O-N 3.29Å; A358-Q361 PolarHBondContact O-N 3.46Å; Q361-N363 VanDerWaalsContact C-N 3.34Å; Q361-N363 PolarHBondContact O-N 3.41Å; Q361-L364 PolarHBondContact O-N 3.26Å; Q361-L365 WeakPolarHBondContact O-CB 3.5Å; Q361-L365 PolarHBondContact O-N 2.91Å |
| 362 | L | 96.9 | Very high | 97.4 | Very high | 81 Ų | 81 | 100.6 Ų | 100.6 | 42% | 0.424 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 175.8 | 179.8 | 63.7 | 0 | 0 | 0 | 111.6 | A358 L359 K360 L365 K366 | A358-L362 WeakPolarHBondContact O-CB 3.41Å; A358-L362 PolarHBondContact O-N 3.44Å; L359-L362 PolarHBondContact O-N 3.31Å; K360-L362 VanDerWaalsContact C-N 3.34Å; L362-L365 PolarHBondContact O-N 2.87Å; L362-K366 VanDerWaalsContact O-CG 3.31Å; L362-K366 WeakPolarHBondContact O-CG 3.41Å; L362-K366 PolarHBondContact O-N 3.26Å |
| 363 | N | 96.8 | Very high | 97.4 | Very high | 93 Ų | 93 | 103 Ų | 103 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67 | -42.7 | 178.5 | -72.8 | -17.6 | 0 | 0 | 0 | 112.2 | L359 K360 Q361 L365 K366 E367 | L359-N363 VanDerWaalsContact O-CG 3.31Å; L359-N363 PolarHBondContact O-N 2.83Å; L359-N363 PolarHBondContact O-ND2 3.49Å; K360-N363 PolarHBondContact O-N 3Å; Q361-N363 VanDerWaalsContact C-N 3.34Å; Q361-N363 PolarHBondContact O-N 3.41Å; N363-L365 VanDerWaalsContact C-N 3.3Å; N363-L365 PolarHBondContact O-N 2.69Å; N363-K366 WeakPolarHBondContact O-CB 3.41Å; N363-K366 PolarHBondContact O-N 2.88Å; N363-E367 PolarHBondContact O-N 3.23Å |
| 364 | L | 97.5 | Very high | 97.4 | Very high | 98 Ų | 98 | 99 Ų | 99 | 51% | 0.513 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 173.9 | 179.3 | 63 | 0 | 0 | 0 | 111.1 | K360 Q361 K366 E367 I368 | K360-L364 PolarHBondContact O-N 3.04Å; Q361-L364 PolarHBondContact O-N 3.26Å; L364-K366 VanDerWaalsContact C-N 3.31Å; L364-K366 PolarHBondContact O-N 3.44Å; L364-E367 PolarHBondContact O-N 3.49Å; L364-I368 HydrophobicContact CD1-CD1 4.21Å; L364-I368 HydrophobicContact CD1-CG1 4.4Å; L364-I368 HydrophobicContact CG-CD1 3.94Å; L364-I368 VanDerWaalsContact O-CG1 3.29Å; L364-I368 WeakPolarHBondContact O-CG1 3.23Å; L364-I368 PolarHBondContact O-N 3.03Å |
| 365 | L | 97.5 | Very high | 97.4 | Very high | 91 Ų | 91 | 103.1 Ų | 103.1 | 48% | 0.476 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 176.8 | -170.1 | 64.6 | 0 | 0 | 0 | 111.5 | Q361 L362 N363 H369 | Q361-L365 WeakPolarHBondContact O-CB 3.5Å; Q361-L365 PolarHBondContact O-N 2.91Å; L362-L365 PolarHBondContact O-N 2.87Å; N363-L365 VanDerWaalsContact C-N 3.3Å; N363-L365 PolarHBondContact O-N 2.69Å; L365-H369 WeakPolarHBondContact O-CB 3.46Å; L365-H369 PolarHBondContact O-N 2.99Å; L365-H369 PolarHBondContact O-ND1 3.23Å |
| 366 | K | 97.6 | Very high | 97.4 | Very high | 124 Ų | 124 | 100 Ų | 100 | 54% | 0.539 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 174.3 | -75.6 | 173.8 | 177.7 | -178.5 | 0 | 111.9 | L362 N363 L364 H369 Q370 | L362-K366 VanDerWaalsContact O-CG 3.31Å; L362-K366 WeakPolarHBondContact O-CG 3.41Å; L362-K366 PolarHBondContact O-N 3.26Å; N363-K366 WeakPolarHBondContact O-CB 3.41Å; N363-K366 PolarHBondContact O-N 2.88Å; L364-K366 VanDerWaalsContact C-N 3.31Å; L364-K366 PolarHBondContact O-N 3.44Å; K366-H369 PolarHBondContact O-N 3.31Å; K366-Q370 VanDerWaalsContact O-CB 3.31Å; K366-Q370 WeakPolarHBondContact O-CB 3.47Å; K366-Q370 PolarHBondContact O-N 3.5Å |
| 367 | E | 97.5 | Very high | 97.4 | Very high | 111 Ų | 111 | 98 Ų | 98 | 52% | 0.519 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.2 | -48.3 | 176.9 | -173.1 | 177.3 | -176 | 0 | 0 | 110.8 | N363 L364 H369 Q370 D371 | N363-E367 PolarHBondContact O-N 3.23Å; L364-E367 PolarHBondContact O-N 3.49Å; E367-H369 VanDerWaalsContact C-N 3.35Å; E367-H369 PolarHBondContact O-N 3.44Å; E367-Q370 WeakPolarHBondContact O-CB 3.47Å; E367-Q370 PolarHBondContact O-N 2.84Å; E367-Q370 VanDerWaalsContact O-N 3.08Å; E367-D371 PolarHBondContact O-N 3.35Å |
| 368 | I | 97.3 | Very high | 97.4 | Very high | 91 Ų | 91 | 98.6 Ų | 98.6 | 47% | 0.467 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.2 | -44.9 | 176.5 | -67.2 | 165.9 | 0 | 0 | 0 | 111.5 | L364 Q370 D371 E372 | L364-I368 HydrophobicContact CD1-CD1 4.21Å; L364-I368 HydrophobicContact CD1-CG1 4.4Å; L364-I368 HydrophobicContact CG-CD1 3.94Å; L364-I368 VanDerWaalsContact O-CG1 3.29Å; L364-I368 WeakPolarHBondContact O-CG1 3.23Å; L364-I368 PolarHBondContact O-N 3.03Å; I368-Q370 VanDerWaalsContact C-N 3.31Å; I368-Q370 PolarHBondContact O-N 3.23Å; I368-D371 PolarHBondContact O-N 2.98Å; I368-E372 WeakPolarHBondContact O-CB 3.38Å; I368-E372 PolarHBondContact O-N 2.87Å |
| 369 | H | 97.2 | Very high | 97.5 | Very high | 112 Ų | 112 | 101 Ų | 101 | 52% | 0.519 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.1 | -36.9 | 176.7 | -79.9 | 78.4 | 0 | 0 | 0 | 111.8 | L365 K366 E367 E372 L373 | L365-H369 WeakPolarHBondContact O-CB 3.46Å; L365-H369 PolarHBondContact O-N 2.99Å; L365-H369 PolarHBondContact O-ND1 3.23Å; K366-H369 PolarHBondContact O-N 3.31Å; E367-H369 VanDerWaalsContact C-N 3.35Å; E367-H369 PolarHBondContact O-N 3.44Å; H369-E372 PolarHBondContact O-N 3.37Å; H369-L373 WeakPolarHBondContact O-CB 3.44Å; H369-L373 VanDerWaalsContact O-CG 3.26Å; H369-L373 WeakPolarHBondContact O-CG 3.36Å; H369-L373 PolarHBondContact O-N 2.91Å |
| 370 | Q | 97.9 | Very high | 97.4 | Very high | 140 Ų | 140 | 101.8 Ų | 101.8 | 65% | 0.654 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.6 | -42.2 | 177.6 | -175.8 | 169.5 | 5.7 | 0 | 0 | 111.5 | K366 E367 I368 L373 G374 | K366-Q370 VanDerWaalsContact O-CB 3.31Å; K366-Q370 WeakPolarHBondContact O-CB 3.47Å; K366-Q370 PolarHBondContact O-N 3.5Å; E367-Q370 WeakPolarHBondContact O-CB 3.47Å; E367-Q370 PolarHBondContact O-N 2.84Å; E367-Q370 VanDerWaalsContact O-N 3.08Å; I368-Q370 VanDerWaalsContact C-N 3.31Å; I368-Q370 PolarHBondContact O-N 3.23Å; Q370-L373 PolarHBondContact O-N 3.41Å; Q370-G374 PolarHBondContact O-N 3.06Å |
| 371 | D | 97.8 | Very high | 97.4 | Very high | 91 Ų | 91 | 101.9 Ų | 101.9 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 174.6 | -72.4 | -12.4 | 0 | 0 | 0 | 111.6 | E367 I368 G374 R375 | E367-D371 PolarHBondContact O-N 3.35Å; I368-D371 PolarHBondContact O-N 2.98Å; D371-G374 WeakPolarHBondContact O-CA 3.46Å; D371-G374 PolarHBondContact O-N 3.33Å; D371-G374 VanDerWaalsContact O-N 3.16Å; D371-R375 PolarHBondContact O-N 2.93Å |
| 372 | E | 97.7 | Very high | 97.4 | Very high | 92 Ų | 92 | 101.2 Ų | 101.2 | 43% | 0.43 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 177.7 | -169 | 63.9 | -165.2 | 0 | 0 | 111.6 | I368 H369 G374 R375 I376 | I368-E372 WeakPolarHBondContact O-CB 3.38Å; I368-E372 PolarHBondContact O-N 2.87Å; H369-E372 PolarHBondContact O-N 3.37Å; E372-G374 VanDerWaalsContact C-N 3.27Å; E372-G374 PolarHBondContact O-N 3.18Å; E372-R375 PolarHBondContact O-N 3.34Å; E372-R375 IonicContact OE2-NH1 2.69Å; E372-I376 HydrophobicContact CG-CD1 4.11Å; E372-I376 VanDerWaalsContact O-CG1 3.29Å; E372-I376 WeakPolarHBondContact O-CG1 3.45Å; E372-I376 PolarHBondContact O-N 2.88Å |
| 373 | L | 97.6 | Very high | 97.4 | Very high | 111 Ų | 111 | 103.7 Ų | 103.7 | 58% | 0.581 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.4 | -37.3 | 171.7 | -74.6 | 171.7 | 0 | 0 | 0 | 111.8 | H369 Q370 S377 | H369-L373 WeakPolarHBondContact O-CB 3.44Å; H369-L373 VanDerWaalsContact O-CG 3.26Å; H369-L373 WeakPolarHBondContact O-CG 3.36Å; H369-L373 PolarHBondContact O-N 2.91Å; Q370-L373 PolarHBondContact O-N 3.41Å; L373-S377 WeakPolarHBondContact O-CB 3.45Å; L373-S377 PolarHBondContact O-N 3.45Å; L373-S377 PolarHBondContact O-OG 3.43Å |
| 374 | G | 97.9 | Very high | 97.3 | Very high | 29 Ų | 29 | 104.8 Ų | 104.8 | 30% | 0.299 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60 | -51.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q370 D371 E372 I376 S377 E378 | Q370-G374 PolarHBondContact O-N 3.06Å; D371-G374 WeakPolarHBondContact O-CA 3.46Å; D371-G374 PolarHBondContact O-N 3.33Å; D371-G374 VanDerWaalsContact O-N 3.16Å; E372-G374 VanDerWaalsContact C-N 3.27Å; E372-G374 PolarHBondContact O-N 3.18Å; G374-I376 PolarHBondContact O-N 3.41Å; G374-S377 WeakPolarHBondContact O-CB 3.39Å; G374-S377 PolarHBondContact O-N 2.88Å; G374-S377 VanDerWaalsContact O-N 3.13Å; G374-E378 WeakPolarHBondContact O-CG 3.44Å; G374-E378 PolarHBondContact O-N 3.18Å |
| 375 | R | 97.9 | Very high | 97.3 | Very high | 152 Ų | 152 | 101.5 Ų | 101.5 | 57% | 0.574 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.3 | -47.4 | 177.4 | -71.7 | -179.6 | 177.9 | 158.9 | 2.3 | 112.9 | D371 E372 S377 E378 D379 | D371-R375 PolarHBondContact O-N 2.93Å; E372-R375 PolarHBondContact O-N 3.34Å; E372-R375 IonicContact OE2-NH1 2.69Å; R375-S377 PolarHBondContact O-N 2.87Å; R375-E378 PolarHBondContact O-N 2.65Å; R375-D379 PolarHBondContact O-N 3.27Å |
| 376 | I | 97.4 | Very high | 97.3 | Very high | 77 Ų | 77 | 99.6 Ų | 99.6 | 40% | 0.395 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.5 | -38.4 | 177.1 | -67.4 | 167.3 | 0 | 0 | 0 | 110.5 | E372 G374 L380 | E372-I376 HydrophobicContact CG-CD1 4.11Å; E372-I376 VanDerWaalsContact O-CG1 3.29Å; E372-I376 WeakPolarHBondContact O-CG1 3.45Å; E372-I376 PolarHBondContact O-N 2.88Å; G374-I376 PolarHBondContact O-N 3.41Å; I376-L380 HydrophobicContact CG2-CD1 4.03Å; I376-L380 HydrophobicContact CG2-CG 4.46Å; I376-L380 WeakPolarHBondContact O-CB 3.49Å; I376-L380 VanDerWaalsContact O-CG 3.22Å; I376-L380 WeakPolarHBondContact O-CG 3.49Å; I376-L380 PolarHBondContact O-N 3.31Å |
| 377 | S | 97.1 | Very high | 97.2 | Very high | 58 Ų | 58 | 101.1 Ų | 101.1 | 41% | 0.406 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 177.7 | -57 | 0 | 0 | 0 | 0 | 111.8 | L373 G374 R375 L380 E381 | L373-S377 WeakPolarHBondContact O-CB 3.45Å; L373-S377 PolarHBondContact O-N 3.45Å; L373-S377 PolarHBondContact O-OG 3.43Å; G374-S377 WeakPolarHBondContact O-CB 3.39Å; G374-S377 PolarHBondContact O-N 2.88Å; G374-S377 VanDerWaalsContact O-N 3.13Å; R375-S377 PolarHBondContact O-N 2.87Å; S377-L380 PolarHBondContact O-N 3.02Å; S377-E381 WeakPolarHBondContact O-CG 3.43Å; S377-E381 PolarHBondContact O-N 3.19Å |
| 378 | E | 97.4 | Very high | 97.2 | Very high | 127 Ų | 127 | 99.2 Ų | 99.2 | 59% | 0.593 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.5 | -46.5 | 175.6 | -70.7 | 172.9 | -176.5 | 0 | 0 | 111.7 | G374 R375 L380 E381 D382 | G374-E378 WeakPolarHBondContact O-CG 3.44Å; G374-E378 PolarHBondContact O-N 3.18Å; R375-E378 PolarHBondContact O-N 2.65Å; E378-L380 VanDerWaalsContact C-N 3.32Å; E378-L380 PolarHBondContact O-N 2.94Å; E378-E381 PolarHBondContact O-N 2.93Å; E378-D382 PolarHBondContact O-N 3.48Å |
| 379 | D | 97.1 | Very high | 97.2 | Very high | 102 Ų | 102 | 98.9 Ų | 98.9 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.7 | -42.2 | 176.9 | -73.3 | -22.7 | 0 | 0 | 0 | 111.4 | R375 D382 E383 | R375-D379 PolarHBondContact O-N 3.27Å; D379-D382 PolarHBondContact O-N 3.33Å; D379-E383 WeakPolarHBondContact O-CG 3.46Å; D379-E383 PolarHBondContact O-N 3.36Å |
| 380 | L | 96.3 | Very high | 97.2 | Very high | 90 Ų | 90 | 99.4 Ų | 99.4 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 176.1 | -74.9 | 171.5 | 0 | 0 | 0 | 112.3 | I376 S377 E378 E383 L384 | I376-L380 HydrophobicContact CG2-CD1 4.03Å; I376-L380 HydrophobicContact CG2-CG 4.46Å; I376-L380 WeakPolarHBondContact O-CB 3.49Å; I376-L380 VanDerWaalsContact O-CG 3.22Å; I376-L380 WeakPolarHBondContact O-CG 3.49Å; I376-L380 PolarHBondContact O-N 3.31Å; S377-L380 PolarHBondContact O-N 3.02Å; E378-L380 VanDerWaalsContact C-N 3.32Å; E378-L380 PolarHBondContact O-N 2.94Å; L380-E383 PolarHBondContact O-N 3Å; L380-L384 WeakPolarHBondContact O-CB 3.42Å; L380-L384 VanDerWaalsContact O-CG 3.23Å; L380-L384 WeakPolarHBondContact O-CG 3.48Å; L380-L384 PolarHBondContact O-N 3.44Å |
| 381 | E | 97.2 | Very high | 97.1 | Very high | 133 Ų | 133 | 96.1 Ų | 96.1 | 62% | 0.621 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.7 | -42.4 | 175.7 | -75.1 | 178.3 | -170.2 | 0 | 0 | 111.8 | S377 E378 L384 G385 | S377-E381 WeakPolarHBondContact O-CG 3.43Å; S377-E381 PolarHBondContact O-N 3.19Å; E378-E381 PolarHBondContact O-N 2.93Å; E381-L384 PolarHBondContact O-N 2.86Å; E381-G385 PolarHBondContact O-N 3.21Å |
| 382 | D | 97.5 | Very high | 97.1 | Very high | 123 Ų | 123 | 97.7 Ų | 97.7 | 66% | 0.658 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.8 | -41.9 | 175.5 | -85.6 | -12.5 | 0 | 0 | 0 | 111.9 | E378 D379 G385 A386 | E378-D382 PolarHBondContact O-N 3.48Å; D379-D382 PolarHBondContact O-N 3.33Å; D382-G385 CarbonylContact O-C 3.53Å; D382-G385 PolarHBondContact O-N 3.2Å; D382-A386 PolarHBondContact O-N 3.35Å |
| 383 | E | 96.7 | Very high | 97.1 | Very high | 133 Ų | 133 | 99.5 Ų | 99.5 | 62% | 0.621 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.5 | -42 | 174.1 | -76.5 | -173.1 | 171.6 | 0 | 0 | 112 | D379 L380 G385 A386 R387 | D379-E383 WeakPolarHBondContact O-CG 3.46Å; D379-E383 PolarHBondContact O-N 3.36Å; L380-E383 PolarHBondContact O-N 3Å; E383-G385 VanDerWaalsContact C-N 3.34Å; E383-A386 PolarHBondContact O-N 2.8Å; E383-R387 WeakPolarHBondContact O-CB 3.4Å; E383-R387 PolarHBondContact O-N 2.89Å |
| 384 | L | 96.3 | Very high | 97.1 | Very high | 116 Ų | 116 | 98.1 Ų | 98.1 | 61% | 0.607 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.7 | -41.2 | 172.5 | -73 | 171.2 | 0 | 0 | 0 | 111.2 | L380 E381 R387 T388 | L380-L384 WeakPolarHBondContact O-CB 3.42Å; L380-L384 VanDerWaalsContact O-CG 3.23Å; L380-L384 WeakPolarHBondContact O-CG 3.48Å; L380-L384 PolarHBondContact O-N 3.44Å; E381-L384 PolarHBondContact O-N 2.86Å; L384-R387 PolarHBondContact O-N 3.28Å; L384-T388 WeakPolarHBondContact O-CG2 3.23Å; L384-T388 PolarHBondContact O-N 3.48Å; L384-T388 PolarHBondContact O-OG1 3.27Å |
| 385 | G | 96.6 | Very high | 97 | Very high | 28 Ų | 28 | 99.3 Ų | 99.3 | 29% | 0.289 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60 | -45.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E381 D382 E383 R387 T388 N389 | E381-G385 PolarHBondContact O-N 3.21Å; D382-G385 CarbonylContact O-C 3.53Å; D382-G385 PolarHBondContact O-N 3.2Å; E383-G385 VanDerWaalsContact C-N 3.34Å; G385-R387 VanDerWaalsContact C-N 3.34Å; G385-R387 PolarHBondContact O-N 3Å; G385-T388 PolarHBondContact O-OG1 2.86Å; G385-N389 WeakPolarHBondContact O-CB 3.27Å; G385-N389 VanDerWaalsContact O-CG 3.28Å; G385-N389 PolarHBondContact O-N 3.13Å; G385-N389 VanDerWaalsContact O-N 3.08Å; G385-N389 PolarHBondContact O-ND2 2.95Å; G385-N389 VanDerWaalsContact O-ND2 3.11Å |
| 386 | A | 97.3 | Very high | 97 | Very high | 52 Ų | 52 | 98.3 Ų | 98.3 | 43% | 0.43 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | D382 E383 N389 M390 | D382-A386 PolarHBondContact O-N 3.35Å; E383-A386 PolarHBondContact O-N 2.8Å; A386-N389 PolarHBondContact O-N 3.15Å; A386-M390 WeakPolarHBondContact O-CG 3.48Å; A386-M390 PolarHBondContact O-N 3.4Å |
| 387 | R | 96.6 | Very high | 97 | Very high | 155 Ų | 155 | 100.3 Ų | 100.3 | 59% | 0.585 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.1 | -49.5 | 178.5 | -176.9 | 60.2 | -174.6 | -140.8 | 1.4 | 112 | E383 L384 G385 N389 M390 D391 | E383-R387 WeakPolarHBondContact O-CB 3.4Å; E383-R387 PolarHBondContact O-N 2.89Å; L384-R387 PolarHBondContact O-N 3.28Å; G385-R387 VanDerWaalsContact C-N 3.34Å; G385-R387 PolarHBondContact O-N 3Å; R387-N389 VanDerWaalsContact C-N 3.27Å; R387-N389 PolarHBondContact O-N 3.43Å; R387-M390 WeakPolarHBondContact O-CA 3.48Å; R387-M390 WeakPolarHBondContact O-CB 3.49Å; R387-M390 PolarHBondContact O-N 3.38Å; R387-D391 IonicContact NE-OD1 3.89Å; R387-D391 IonicContact NE-OD2 2.62Å; R387-D391 PolarHBondContact O-N 3.49Å |
| 388 | T | 97.3 | Very high | 97 | Very high | 71 Ų | 71 | 105.2 Ų | 105.2 | 44% | 0.436 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61 | -36.7 | 177.8 | 56 | 0 | 0 | 0 | 0 | 112.1 | L384 G385 D391 K392 | L384-T388 WeakPolarHBondContact O-CG2 3.23Å; L384-T388 PolarHBondContact O-N 3.48Å; L384-T388 PolarHBondContact O-OG1 3.27Å; G385-T388 PolarHBondContact O-OG1 2.86Å; T388-D391 PolarHBondContact O-N 2.93Å; T388-K392 WeakPolarHBondContact O-CG 3.38Å; T388-K392 PolarHBondContact O-N 2.85Å |
| 389 | N | 96.7 | Very high | 96.9 | Very high | 85 Ų | 85 | 101.8 Ų | 101.8 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.1 | -37.4 | 173.3 | -74.5 | -32 | 0 | 0 | 0 | 112.7 | G385 A386 R387 K393 | G385-N389 WeakPolarHBondContact O-CB 3.27Å; G385-N389 VanDerWaalsContact O-CG 3.28Å; G385-N389 PolarHBondContact O-N 3.13Å; G385-N389 VanDerWaalsContact O-N 3.08Å; G385-N389 PolarHBondContact O-ND2 2.95Å; G385-N389 VanDerWaalsContact O-ND2 3.11Å; A386-N389 PolarHBondContact O-N 3.15Å; R387-N389 VanDerWaalsContact C-N 3.27Å; R387-N389 PolarHBondContact O-N 3.43Å; N389-K393 WeakPolarHBondContact O-CG 3.33Å; N389-K393 PolarHBondContact O-N 2.98Å |
| 390 | M | 96.6 | Very high | 97 | Very high | 122 Ų | 122 | 100.7 Ų | 100.7 | 60% | 0.601 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.1 | -42.4 | 172 | -70.9 | -155.2 | -178.9 | 0 | 0 | 111.8 | A386 R387 K392 K393 L394 | A386-M390 WeakPolarHBondContact O-CG 3.48Å; A386-M390 PolarHBondContact O-N 3.4Å; R387-M390 WeakPolarHBondContact O-CA 3.48Å; R387-M390 WeakPolarHBondContact O-CB 3.49Å; R387-M390 PolarHBondContact O-N 3.38Å; M390-K392 VanDerWaalsContact C-N 3.32Å; M390-K392 PolarHBondContact O-N 2.99Å; M390-K393 PolarHBondContact O-N 3.31Å; M390-L394 WeakPolarHBondContact O-CG 3.36Å; M390-L394 PolarHBondContact O-N 3.43Å |
| 391 | D | 96.7 | Very high | 97 | Very high | 71 Ų | 71 | 101.7 Ų | 101.7 | 38% | 0.38 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.8 | -38.5 | 178.5 | -69.4 | -31.3 | 0 | 0 | 0 | 111.7 | R387 T388 L394 A395 | R387-D391 IonicContact NE-OD1 3.89Å; R387-D391 IonicContact NE-OD2 2.62Å; R387-D391 PolarHBondContact O-N 3.49Å; T388-D391 PolarHBondContact O-N 2.93Å; D391-L394 PolarHBondContact O-N 3.17Å; D391-A395 PolarHBondContact O-N 3.35Å |
| 392 | K | 98.1 | Very high | 97 | Very high | 125 Ų | 125 | 101.2 Ų | 101.2 | 54% | 0.543 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.6 | -48.1 | 171.3 | -73.4 | 172.7 | -174.3 | 168.6 | 0 | 112.1 | T388 M390 L394 A395 E396 | T388-K392 WeakPolarHBondContact O-CG 3.38Å; T388-K392 PolarHBondContact O-N 2.85Å; M390-K392 VanDerWaalsContact C-N 3.32Å; M390-K392 PolarHBondContact O-N 2.99Å; K392-L394 VanDerWaalsContact C-N 3.3Å; K392-L394 PolarHBondContact O-N 3.28Å; K392-A395 WeakPolarHBondContact O-CB 3.35Å; K392-A395 PolarHBondContact O-N 2.64Å; K392-A395 VanDerWaalsContact O-N 3.13Å; K392-E396 WeakPolarHBondContact O-CG 3.44Å; K392-E396 PolarHBondContact O-N 2.87Å |
| 393 | K | 97.6 | Very high | 97 | Very high | 130 Ų | 130 | 100.3 Ų | 100.3 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.2 | -39.3 | 177.1 | -71.8 | 174.4 | -177.5 | 174.8 | 0 | 112 | N389 M390 A395 E396 L397 | N389-K393 WeakPolarHBondContact O-CG 3.33Å; N389-K393 PolarHBondContact O-N 2.98Å; M390-K393 PolarHBondContact O-N 3.31Å; K393-A395 VanDerWaalsContact C-N 3.34Å; K393-E396 PolarHBondContact O-N 3.48Å; K393-L397 WeakPolarHBondContact O-CB 3.39Å; K393-L397 VanDerWaalsContact O-CG 3.32Å; K393-L397 WeakPolarHBondContact O-CG 3.33Å; K393-L397 PolarHBondContact O-N 3.09Å |
| 394 | L | 96.1 | Very high | 97 | Very high | 81 Ų | 81 | 98.1 Ų | 98.1 | 42% | 0.424 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 175 | -73.2 | 172.5 | 0 | 0 | 0 | 111.6 | M390 D391 K392 R398 | M390-L394 WeakPolarHBondContact O-CG 3.36Å; M390-L394 PolarHBondContact O-N 3.43Å; D391-L394 PolarHBondContact O-N 3.17Å; K392-L394 VanDerWaalsContact C-N 3.3Å; K392-L394 PolarHBondContact O-N 3.28Å; L394-R398 VanDerWaalsContact O-CG 3.28Å; L394-R398 WeakPolarHBondContact O-CG 3.36Å; L394-R398 PolarHBondContact O-N 3.21Å |
| 395 | A | 97.5 | Very high | 97 | Very high | 54 Ų | 54 | 98.4 Ų | 98.4 | 45% | 0.446 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.5 | -44 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D391 K392 K393 R398 A399 | D391-A395 PolarHBondContact O-N 3.35Å; K392-A395 WeakPolarHBondContact O-CB 3.35Å; K392-A395 PolarHBondContact O-N 2.64Å; K392-A395 VanDerWaalsContact O-N 3.13Å; K393-A395 VanDerWaalsContact C-N 3.34Å; A395-R398 PolarHBondContact O-N 3.39Å; A395-A399 PolarHBondContact O-N 2.85Å |
| 396 | E | 96.7 | Very high | 97 | Very high | 131 Ų | 131 | 102 Ų | 102 | 61% | 0.612 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.1 | -45.9 | 175.6 | -72.3 | 169.7 | -173.1 | 0 | 0 | 112 | K392 K393 R398 A399 E400 | K392-E396 WeakPolarHBondContact O-CG 3.44Å; K392-E396 PolarHBondContact O-N 2.87Å; K393-E396 PolarHBondContact O-N 3.48Å; E396-R398 VanDerWaalsContact C-N 3.32Å; E396-R398 PolarHBondContact O-N 2.95Å; E396-A399 PolarHBondContact O-N 3.46Å; E396-E400 WeakPolarHBondContact O-CB 3.08Å; E396-E400 PolarHBondContact O-N 2.97Å |
| 397 | L | 97.5 | Very high | 96.8 | Very high | 119 Ų | 119 | 103.5 Ų | 103.5 | 62% | 0.623 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.1 | -35.7 | 177.2 | -72.9 | 173.2 | 0 | 0 | 0 | 112.5 | K393 M401 | K393-L397 WeakPolarHBondContact O-CB 3.39Å; K393-L397 VanDerWaalsContact O-CG 3.32Å; K393-L397 WeakPolarHBondContact O-CG 3.33Å; K393-L397 PolarHBondContact O-N 3.09Å; L397-M401 WeakPolarHBondContact O-CB 3.33Å; L397-M401 PolarHBondContact O-N 3Å |
| 398 | R | 96.4 | Very high | 96.7 | Very high | 161 Ų | 161 | 100.6 Ų | 100.6 | 61% | 0.608 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.3 | -46.7 | 173.7 | -75.1 | 171.8 | -178.4 | 157.6 | 1 | 111.4 | L394 A395 E396 E400 M401 E402 | L394-R398 VanDerWaalsContact O-CG 3.28Å; L394-R398 WeakPolarHBondContact O-CG 3.36Å; L394-R398 PolarHBondContact O-N 3.21Å; A395-R398 PolarHBondContact O-N 3.39Å; E396-R398 VanDerWaalsContact C-N 3.32Å; E396-R398 PolarHBondContact O-N 2.95Å; R398-E400 VanDerWaalsContact C-N 3.33Å; R398-E400 PolarHBondContact O-N 2.96Å; R398-M401 WeakPolarHBondContact O-CB 3.45Å; R398-M401 PolarHBondContact O-N 3.46Å; R398-E402 WeakPolarHBondContact O-CG 3.47Å; R398-E402 PolarHBondContact O-N 3.35Å |
| 399 | A | 97.3 | Very high | 96.7 | Very high | 55 Ų | 55 | 100.2 Ų | 100.2 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A395 E396 M401 E402 R403 | A395-A399 PolarHBondContact O-N 2.85Å; E396-A399 PolarHBondContact O-N 3.46Å; A399-M401 VanDerWaalsContact C-N 3.35Å; A399-E402 PolarHBondContact O-N 3.34Å; A399-R403 WeakPolarHBondContact O-CB 3.43Å; A399-R403 PolarHBondContact O-N 3.43Å |
| 400 | E | 97.3 | Very high | 96.6 | Very high | 79 Ų | 79 | 98.2 Ų | 98.2 | 37% | 0.369 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 175.7 | -175.2 | 56.4 | -151.8 | 0 | 0 | 111.8 | E396 R398 R403 L404 | E396-E400 WeakPolarHBondContact O-CB 3.08Å; E396-E400 PolarHBondContact O-N 2.97Å; R398-E400 VanDerWaalsContact C-N 3.33Å; R398-E400 PolarHBondContact O-N 2.96Å; E400-R403 VanDerWaalsContact CD-NE 3.3Å; E400-R403 PolarHBondContact O-N 2.78Å; E400-R403 IonicContact OE1-CZ 3.87Å; E400-R403 VanDerWaalsContact OE1-CZ 3.27Å; E400-R403 IonicContact OE1-NE 3.15Å; E400-R403 PolarHBondContact OE1-NE 2.88Å; E400-R403 IonicContact OE1-NH2 2.8Å; E400-R403 PolarHBondContact OE1-NH2 3.15Å; E400-R403 IonicContact OE2-CZ 3.05Å; E400-R403 IonicContact OE2-NE 3.82Å; E400-R403 PolarHBondContact OE2-NE 3.34Å; E400-L404 HydrophobicContact CG-CD1 4.33Å; E400-L404 WeakPolarHBondContact O-CB 3.27Å; E400-L404 WeakPolarHBondContact O-CG 3.44Å; E400-L404 PolarHBondContact O-N 3.18Å |
| 401 | M | 97.2 | Very high | 96.6 | Very high | 112 Ų | 112 | 97.2 Ų | 97.2 | 55% | 0.552 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.4 | -45.9 | 173.5 | -173.7 | -173.2 | -57.4 | 0 | 0 | 111.6 | L397 R398 A399 L404 Q405 | L397-M401 WeakPolarHBondContact O-CB 3.33Å; L397-M401 PolarHBondContact O-N 3Å; R398-M401 WeakPolarHBondContact O-CB 3.45Å; R398-M401 PolarHBondContact O-N 3.46Å; A399-M401 VanDerWaalsContact C-N 3.35Å; M401-L404 PolarHBondContact O-N 3.31Å; M401-Q405 WeakPolarHBondContact O-CG 3.32Å; M401-Q405 PolarHBondContact O-N 2.97Å |
| 402 | E | 97 | Very high | 96.6 | Very high | 123 Ų | 123 | 101.7 Ų | 101.7 | 58% | 0.575 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.7 | -44.2 | 176.5 | -71.5 | 172.4 | -172.4 | 0 | 0 | 111.5 | R398 A399 L404 Q405 V406 | R398-E402 WeakPolarHBondContact O-CG 3.47Å; R398-E402 PolarHBondContact O-N 3.35Å; A399-E402 PolarHBondContact O-N 3.34Å; E402-L404 PolarHBondContact O-N 2.92Å; E402-Q405 WeakPolarHBondContact O-CB 3.45Å; E402-Q405 PolarHBondContact O-N 2.84Å; E402-V406 WeakPolarHBondContact O-CG2 3.5Å; E402-V406 PolarHBondContact O-N 3.03Å |
| 403 | R | 97.7 | Very high | 96.5 | Very high | 103 Ų | 103 | 96.9 Ų | 96.9 | 39% | 0.389 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.6 | -48.6 | 175.6 | -166.5 | -167.8 | 75.6 | 68.3 | 16.6 | 111.2 | A399 E400 Q405 V406 E407 | A399-R403 WeakPolarHBondContact O-CB 3.43Å; A399-R403 PolarHBondContact O-N 3.43Å; E400-R403 VanDerWaalsContact CD-NE 3.3Å; E400-R403 PolarHBondContact O-N 2.78Å; E400-R403 IonicContact OE1-CZ 3.87Å; E400-R403 VanDerWaalsContact OE1-CZ 3.27Å; E400-R403 IonicContact OE1-NE 3.15Å; E400-R403 PolarHBondContact OE1-NE 2.88Å; E400-R403 IonicContact OE1-NH2 2.8Å; E400-R403 PolarHBondContact OE1-NH2 3.15Å; E400-R403 IonicContact OE2-CZ 3.05Å; E400-R403 IonicContact OE2-NE 3.82Å; E400-R403 PolarHBondContact OE2-NE 3.34Å; R403-Q405 VanDerWaalsContact C-N 3.34Å; R403-Q405 PolarHBondContact O-N 2.73Å; R403-V406 PolarHBondContact O-N 2.89Å; R403-E407 IonicContact CZ-OE1 2.74Å; R403-E407 IonicContact CZ-OE2 3.59Å; R403-E407 IonicContact NH1-OE1 3.68Å; R403-E407 PolarHBondContact NH1-OE1 2.92Å; R403-E407 IonicContact NH1-OE2 3.61Å; R403-E407 PolarHBondContact NH1-OE2 2.95Å; R403-E407 IonicContact NH2-OE2 3.97Å; R403-E407 PolarHBondContact NH2-OE2 3.17Å; R403-E407 VanDerWaalsContact NH2-OE2 3.15Å; R403-E407 WeakPolarHBondContact O-CG 3.28Å; R403-E407 PolarHBondContact O-N 2.89Å |
| 404 | L | 96.4 | Very high | 96.5 | Very high | 88 Ų | 88 | 96 Ų | 96 | 46% | 0.461 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.8 | -35.2 | 177.7 | -73.3 | 172.7 | 0 | 0 | 0 | 112.6 | E400 M401 E402 E407 N408 | E400-L404 HydrophobicContact CG-CD1 4.33Å; E400-L404 WeakPolarHBondContact O-CB 3.27Å; E400-L404 WeakPolarHBondContact O-CG 3.44Å; E400-L404 PolarHBondContact O-N 3.18Å; M401-L404 PolarHBondContact O-N 3.31Å; E402-L404 PolarHBondContact O-N 2.92Å; L404-E407 PolarHBondContact O-N 3.02Å; L404-N408 VanDerWaalsContact O-CB 3.27Å; L404-N408 WeakPolarHBondContact O-CB 3.44Å; L404-N408 PolarHBondContact O-N 3.43Å |
| 405 | Q | 96.5 | Very high | 96.4 | Very high | 122 Ų | 122 | 99.8 Ų | 99.8 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.8 | -43.9 | 174.5 | -75.4 | 175.6 | 3 | 0 | 0 | 111.8 | M401 E402 R403 N408 A409 | M401-Q405 WeakPolarHBondContact O-CG 3.32Å; M401-Q405 PolarHBondContact O-N 2.97Å; E402-Q405 WeakPolarHBondContact O-CB 3.45Å; E402-Q405 PolarHBondContact O-N 2.84Å; R403-Q405 VanDerWaalsContact C-N 3.34Å; R403-Q405 PolarHBondContact O-N 2.73Å; Q405-N408 PolarHBondContact O-N 3.4Å; Q405-A409 PolarHBondContact O-N 3.39Å |
| 406 | V | 96.9 | Very high | 96.4 | Very high | 104 Ų | 104 | 103.6 Ų | 103.6 | 63% | 0.63 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63 | -44.5 | 175.7 | 174 | 0 | 0 | 0 | 0 | 110.8 | E402 R403 A409 A410 | E402-V406 WeakPolarHBondContact O-CG2 3.5Å; E402-V406 PolarHBondContact O-N 3.03Å; R403-V406 PolarHBondContact O-N 2.89Å; V406-A409 PolarHBondContact O-N 3.01Å; V406-A410 WeakPolarHBondContact O-CB 3.47Å; V406-A410 PolarHBondContact O-N 3.05Å |
| 407 | E | 92.2 | Very high | 96.3 | Very high | 83 Ų | 83 | 103.8 Ų | 103.8 | 39% | 0.388 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 175.6 | -74.4 | -172.7 | 152 | 0 | 0 | 112.1 | R403 L404 A409 A410 E411 | R403-E407 IonicContact CZ-OE1 2.74Å; R403-E407 IonicContact CZ-OE2 3.59Å; R403-E407 IonicContact NH1-OE1 3.68Å; R403-E407 PolarHBondContact NH1-OE1 2.92Å; R403-E407 IonicContact NH1-OE2 3.61Å; R403-E407 PolarHBondContact NH1-OE2 2.95Å; R403-E407 IonicContact NH2-OE2 3.97Å; R403-E407 PolarHBondContact NH2-OE2 3.17Å; R403-E407 VanDerWaalsContact NH2-OE2 3.15Å; R403-E407 WeakPolarHBondContact O-CG 3.28Å; R403-E407 PolarHBondContact O-N 2.89Å; L404-E407 PolarHBondContact O-N 3.02Å; E407-A409 VanDerWaalsContact C-N 3.35Å; E407-A409 PolarHBondContact O-N 2.94Å; E407-A410 PolarHBondContact O-N 3.15Å; E407-E411 WeakPolarHBondContact O-CG 3.38Å; E407-E411 PolarHBondContact O-N 3.22Å |
| 408 | N | 95.9 | Very high | 96.2 | Very high | 94 Ų | 94 | 103.2 Ų | 103.2 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.9 | -46.7 | 177.3 | -166.8 | -72.6 | 0 | 0 | 0 | 111.2 | L404 Q405 A410 E411 W412 | L404-N408 VanDerWaalsContact O-CB 3.27Å; L404-N408 WeakPolarHBondContact O-CB 3.44Å; L404-N408 PolarHBondContact O-N 3.43Å; Q405-N408 PolarHBondContact O-N 3.4Å; N408-A410 PolarHBondContact O-N 2.74Å; N408-E411 PolarHBondContact O-N 3.39Å; N408-W412 PolarHBondContact O-N 2.9Å; N408-W412 PolarHBondContact OD1-NE1 3.42Å; N408-W412 VanDerWaalsContact OD1-NE1 3.13Å |
| 409 | A | 96.2 | Very high | 96.3 | Very high | 63 Ų | 63 | 100.5 Ų | 100.5 | 52% | 0.521 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q405 V406 E407 W412 G413 | Q405-A409 PolarHBondContact O-N 3.39Å; V406-A409 PolarHBondContact O-N 3.01Å; E407-A409 VanDerWaalsContact C-N 3.35Å; E407-A409 PolarHBondContact O-N 2.94Å; A409-W412 PolarHBondContact O-N 3.36Å; A409-G413 PolarHBondContact O-N 3.43Å |
| 410 | A | 95.6 | Very high | 96.3 | Very high | 43 Ų | 43 | 101.6 Ų | 101.6 | 36% | 0.355 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.4 | -39.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V406 E407 N408 G413 R414 | V406-A410 WeakPolarHBondContact O-CB 3.47Å; V406-A410 PolarHBondContact O-N 3.05Å; E407-A410 PolarHBondContact O-N 3.15Å; N408-A410 PolarHBondContact O-N 2.74Å; A410-G413 PolarHBondContact O-N 3.3Å; A410-R414 PolarHBondContact O-N 2.9Å |
| 411 | E | 96.1 | Very high | 96.2 | Very high | 100 Ų | 100 | 102.9 Ų | 102.9 | 47% | 0.467 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.6 | -39.1 | 174.6 | -71.1 | -57.6 | 163.4 | 0 | 0 | 112.4 | E407 N408 G413 R414 R415 | E407-E411 WeakPolarHBondContact O-CG 3.38Å; E407-E411 PolarHBondContact O-N 3.22Å; N408-E411 PolarHBondContact O-N 3.39Å; E411-G413 VanDerWaalsContact C-N 3.35Å; E411-G413 PolarHBondContact O-N 2.9Å; E411-R414 VanDerWaalsContact CD-NE 3.33Å; E411-R414 VanDerWaalsContact CD-NH2 3.31Å; E411-R414 PolarHBondContact O-N 3.26Å; E411-R414 IonicContact OE1-CZ 3.79Å; E411-R414 VanDerWaalsContact OE1-CZ 3.29Å; E411-R414 IonicContact OE1-NE 2.67Å; E411-R414 PolarHBondContact OE1-NE 3.29Å; E411-R414 IonicContact OE1-NH2 3.69Å; E411-R414 PolarHBondContact OE1-NH2 2.92Å; E411-R414 IonicContact OE2-CZ 2.68Å; E411-R414 IonicContact OE2-NE 3.82Å; E411-R414 PolarHBondContact OE2-NE 3.41Å; E411-R414 IonicContact OE2-NH2 3.01Å; E411-R415 WeakPolarHBondContact O-CB 3.4Å; E411-R415 PolarHBondContact O-N 3.11Å |
| 412 | W | 97.3 | Very high | 96.3 | Very high | 165 Ų | 165 | 103.1 Ų | 103.1 | 63% | 0.625 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.4 | -47 | 171.1 | -85.8 | 107.9 | 0 | 0 | 0 | 111.7 | N408 A409 R414 R415 E416 | N408-W412 PolarHBondContact O-N 2.9Å; N408-W412 PolarHBondContact OD1-NE1 3.42Å; N408-W412 VanDerWaalsContact OD1-NE1 3.13Å; A409-W412 PolarHBondContact O-N 3.36Å; W412-R414 VanDerWaalsContact C-N 3.35Å; W412-R414 PolarHBondContact O-N 2.97Å; W412-R415 WeakPolarHBondContact O-CB 3.43Å; W412-R415 PolarHBondContact O-N 3.14Å; W412-E416 PolarHBondContact O-N 3.01Å |
| 413 | G | 95.7 | Very high | 96.2 | Very high | 25 Ų | 25 | 100.6 Ų | 100.6 | 26% | 0.258 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.9 | -34.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A409 A410 E411 R417 | A409-G413 PolarHBondContact O-N 3.43Å; A410-G413 PolarHBondContact O-N 3.3Å; E411-G413 VanDerWaalsContact C-N 3.35Å; E411-G413 PolarHBondContact O-N 2.9Å; G413-R417 PolarHBondContact O-N 3.43Å; G413-R417 PolarHBondContact O-NE 3.39Å |
| 414 | R | 96.8 | Very high | 96.2 | Very high | 110 Ų | 110 | 97.8 Ų | 97.8 | 42% | 0.415 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 171.4 | -83.4 | -167.6 | -88.1 | -110.5 | 0.3 | 111.4 | A410 E411 W412 R417 L418 | A410-R414 PolarHBondContact O-N 2.9Å; E411-R414 VanDerWaalsContact CD-NE 3.33Å; E411-R414 VanDerWaalsContact CD-NH2 3.31Å; E411-R414 PolarHBondContact O-N 3.26Å; E411-R414 IonicContact OE1-CZ 3.79Å; E411-R414 VanDerWaalsContact OE1-CZ 3.29Å; E411-R414 IonicContact OE1-NE 2.67Å; E411-R414 PolarHBondContact OE1-NE 3.29Å; E411-R414 IonicContact OE1-NH2 3.69Å; E411-R414 PolarHBondContact OE1-NH2 2.92Å; E411-R414 IonicContact OE2-CZ 2.68Å; E411-R414 IonicContact OE2-NE 3.82Å; E411-R414 PolarHBondContact OE2-NE 3.41Å; E411-R414 IonicContact OE2-NH2 3.01Å; W412-R414 VanDerWaalsContact C-N 3.35Å; W412-R414 PolarHBondContact O-N 2.97Å; R414-R417 PolarHBondContact O-N 2.97Å; R414-L418 WeakPolarHBondContact O-CG 3.34Å; R414-L418 PolarHBondContact O-N 3.13Å |
| 415 | R | 94.6 | Very high | 96.2 | Very high | 161 Ų | 161 | 99.3 Ų | 99.3 | 61% | 0.608 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.8 | -46.8 | 179.6 | -177.7 | -174.7 | 179 | 106.4 | 2.1 | 111.4 | E411 W412 R417 L418 E419 | E411-R415 WeakPolarHBondContact O-CB 3.4Å; E411-R415 PolarHBondContact O-N 3.11Å; W412-R415 WeakPolarHBondContact O-CB 3.43Å; W412-R415 PolarHBondContact O-N 3.14Å; R415-R417 PolarHBondContact O-N 3.02Å; R415-L418 PolarHBondContact O-N 2.99Å; R415-E419 WeakPolarHBondContact O-CB 3.49Å; R415-E419 PolarHBondContact O-N 2.94Å |
| 416 | E | 96.4 | Very high | 96.3 | Very high | 135 Ų | 135 | 98 Ų | 98 | 63% | 0.631 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.9 | -47.2 | 178.7 | -174.8 | 178.1 | -161.9 | 0 | 0 | 111.3 | W412 L418 E419 T420 | W412-E416 PolarHBondContact O-N 3.01Å; E416-L418 PolarHBondContact O-N 3.42Å; E416-E419 PolarHBondContact O-N 3.26Å; E416-E419 VanDerWaalsContact O-N 3.16Å; E416-T420 WeakPolarHBondContact O-CG2 3.26Å; E416-T420 PolarHBondContact O-N 3.04Å |
| 417 | R | 96.1 | Very high | 96.3 | Very high | 134 Ų | 134 | 100.3 Ų | 100.3 | 51% | 0.506 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.8 | -48.7 | 175.3 | -77.1 | -178.5 | -79.4 | 108 | -8.6 | 112.2 | G413 R414 R415 E419 T420 E421 | G413-R417 PolarHBondContact O-N 3.43Å; G413-R417 PolarHBondContact O-NE 3.39Å; R414-R417 PolarHBondContact O-N 2.97Å; R415-R417 PolarHBondContact O-N 3.02Å; R417-E419 VanDerWaalsContact C-N 3.28Å; R417-E419 PolarHBondContact O-N 3.2Å; R417-T420 PolarHBondContact O-N 3.18Å; R417-T420 VanDerWaalsContact O-N 3.16Å; R417-T420 PolarHBondContact O-OG1 2.92Å; R417-E421 WeakPolarHBondContact O-CG 3.31Å; R417-E421 PolarHBondContact O-N 3.29Å |
| 418 | L | 95.5 | Very high | 96.6 | Very high | 108 Ų | 108 | 99.9 Ų | 99.9 | 57% | 0.565 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.5 | -34.7 | 177.4 | -71.6 | 172.9 | 0 | 0 | 0 | 112.6 | R414 R415 E416 K422 | R414-L418 WeakPolarHBondContact O-CG 3.34Å; R414-L418 PolarHBondContact O-N 3.13Å; R415-L418 PolarHBondContact O-N 2.99Å; E416-L418 PolarHBondContact O-N 3.42Å; L418-K422 VanDerWaalsContact O-CB 3.23Å; L418-K422 WeakPolarHBondContact O-CB 3.41Å; L418-K422 PolarHBondContact O-N 3.48Å |
| 419 | E | 97.3 | Very high | 96.7 | Very high | 103 Ų | 103 | 99 Ų | 99 | 48% | 0.481 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.2 | -40.9 | 174.8 | -175.8 | 156.5 | -148.3 | 0 | 0 | 111.6 | R415 E416 R417 K422 L423 | R415-E419 WeakPolarHBondContact O-CB 3.49Å; R415-E419 PolarHBondContact O-N 2.94Å; E416-E419 PolarHBondContact O-N 3.26Å; E416-E419 VanDerWaalsContact O-N 3.16Å; R417-E419 VanDerWaalsContact C-N 3.28Å; R417-E419 PolarHBondContact O-N 3.2Å; E419-K422 PolarHBondContact O-N 2.85Å; E419-L423 WeakPolarHBondContact O-CG 3.32Å; E419-L423 PolarHBondContact O-N 3.35Å |
| 420 | T | 96.8 | Very high | 96.8 | Very high | 79 Ų | 79 | 103.5 Ų | 103.5 | 49% | 0.485 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 173.8 | 63.7 | 0 | 0 | 0 | 0 | 112.5 | E416 R417 L423 A424 | E416-T420 WeakPolarHBondContact O-CG2 3.26Å; E416-T420 PolarHBondContact O-N 3.04Å; R417-T420 PolarHBondContact O-N 3.18Å; R417-T420 VanDerWaalsContact O-N 3.16Å; R417-T420 PolarHBondContact O-OG1 2.92Å; T420-L423 PolarHBondContact O-N 2.88Å; T420-A424 PolarHBondContact O-N 3.24Å |
| 421 | E | 96.9 | Very high | 97 | Very high | 106 Ų | 106 | 107.3 Ų | 107.3 | 50% | 0.495 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64 | -42.6 | 176.4 | -73.5 | 174.9 | -163.8 | 0 | 0 | 111.5 | R417 L423 A424 L425 | R417-E421 WeakPolarHBondContact O-CG 3.31Å; R417-E421 PolarHBondContact O-N 3.29Å; E421-L423 PolarHBondContact O-N 2.83Å; E421-A424 WeakPolarHBondContact O-CB 3.45Å; E421-A424 PolarHBondContact O-N 3.19Å; E421-A424 VanDerWaalsContact O-N 3.16Å; E421-L425 WeakPolarHBondContact O-CG 3.23Å; E421-L425 PolarHBondContact O-N 2.91Å |
| 422 | K | 97.7 | Very high | 97 | Very high | 117 Ų | 117 | 107.3 Ų | 107.3 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -55.4 | -50.9 | 173.3 | 175.4 | -167.8 | 161.4 | -168.7 | 0 | 110.8 | L418 E419 A424 L425 E426 | L418-K422 VanDerWaalsContact O-CB 3.23Å; L418-K422 WeakPolarHBondContact O-CB 3.41Å; L418-K422 PolarHBondContact O-N 3.48Å; E419-K422 PolarHBondContact O-N 2.85Å; K422-A424 VanDerWaalsContact C-N 3.27Å; K422-A424 PolarHBondContact O-N 3.19Å; K422-L425 PolarHBondContact O-N 2.88Å; K422-E426 WeakPolarHBondContact CE-OE1 3.33Å; K422-E426 IonicContact NZ-OE1 2.73Å; K422-E426 WeakPolarHBondContact O-CG 3.43Å; K422-E426 PolarHBondContact O-N 3.11Å |
| 423 | L | 96.7 | Very high | 97.1 | Very high | 70 Ų | 70 | 107.1 Ų | 107.1 | 37% | 0.366 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -32 | 179.4 | -69 | 173.5 | 0 | 0 | 0 | 112.2 | E419 T420 E421 R427 | E419-L423 WeakPolarHBondContact O-CG 3.32Å; E419-L423 PolarHBondContact O-N 3.35Å; T420-L423 PolarHBondContact O-N 2.88Å; E421-L423 PolarHBondContact O-N 2.83Å; L423-R427 VanDerWaalsContact C-NH1 3.28Å; L423-R427 WeakPolarHBondContact O-CG 3.44Å; L423-R427 PolarHBondContact O-N 2.99Å; L423-R427 PolarHBondContact O-NH1 3.32Å |
| 424 | A | 97.1 | Very high | 97.2 | Very high | 44 Ų | 44 | 108 Ų | 108 | 36% | 0.364 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67 | -49.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | T420 E421 K422 E426 R427 D428 | T420-A424 PolarHBondContact O-N 3.24Å; E421-A424 WeakPolarHBondContact O-CB 3.45Å; E421-A424 PolarHBondContact O-N 3.19Å; E421-A424 VanDerWaalsContact O-N 3.16Å; K422-A424 VanDerWaalsContact C-N 3.27Å; K422-A424 PolarHBondContact O-N 3.19Å; A424-E426 VanDerWaalsContact C-N 3.3Å; A424-E426 PolarHBondContact O-N 3.44Å; A424-R427 WeakPolarHBondContact O-CB 3.4Å; A424-R427 PolarHBondContact O-N 3.47Å; A424-R427 VanDerWaalsContact O-N 3.12Å; A424-D428 PolarHBondContact O-N 3.33Å |
| 425 | L | 96.4 | Very high | 97.3 | Very high | 120 Ų | 120 | 108.1 Ų | 108.1 | 63% | 0.628 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.1 | -38.2 | 176.3 | -70.4 | 174.2 | 0 | 0 | 0 | 112.2 | E421 K422 R427 D428 N429 | E421-L425 WeakPolarHBondContact O-CG 3.23Å; E421-L425 PolarHBondContact O-N 2.91Å; K422-L425 PolarHBondContact O-N 2.88Å; L425-R427 VanDerWaalsContact C-N 3.35Å; L425-R427 PolarHBondContact O-N 2.87Å; L425-D428 PolarHBondContact O-N 3.17Å; L425-N429 VanDerWaalsContact O-CB 3.27Å; L425-N429 WeakPolarHBondContact O-CB 3.44Å; L425-N429 PolarHBondContact O-N 3.16Å |
| 426 | E | 97.8 | Very high | 97.4 | Very high | 94 Ų | 94 | 104 Ų | 104 | 44% | 0.439 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 175 | -77.7 | 176 | 176.4 | 0 | 0 | 112.4 | K422 A424 K430 | K422-E426 WeakPolarHBondContact CE-OE1 3.33Å; K422-E426 IonicContact NZ-OE1 2.73Å; K422-E426 WeakPolarHBondContact O-CG 3.43Å; K422-E426 PolarHBondContact O-N 3.11Å; A424-E426 VanDerWaalsContact C-N 3.3Å; A424-E426 PolarHBondContact O-N 3.44Å; E426-K430 WeakPolarHBondContact O-CB 3.49Å; E426-K430 PolarHBondContact O-N 3.08Å |
| 427 | R | 98.3 | Very high | 97.5 | Very high | 153 Ų | 153 | 104.1 Ų | 104.1 | 58% | 0.577 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.1 | -44.8 | 175.7 | -70.9 | 177.1 | -173.9 | 96.4 | -6.4 | 111.4 | L423 A424 L425 K430 K431 | L423-R427 VanDerWaalsContact C-NH1 3.28Å; L423-R427 WeakPolarHBondContact O-CG 3.44Å; L423-R427 PolarHBondContact O-N 2.99Å; L423-R427 PolarHBondContact O-NH1 3.32Å; A424-R427 WeakPolarHBondContact O-CB 3.4Å; A424-R427 PolarHBondContact O-N 3.47Å; A424-R427 VanDerWaalsContact O-N 3.12Å; L425-R427 VanDerWaalsContact C-N 3.35Å; L425-R427 PolarHBondContact O-N 2.87Å; R427-K430 WeakPolarHBondContact O-CB 3.45Å; R427-K430 PolarHBondContact O-N 3.34Å; R427-K431 WeakPolarHBondContact O-CG 3.45Å; R427-K431 PolarHBondContact O-N 2.93Å |
| 428 | D | 98.1 | Very high | 97.6 | Very high | 74 Ų | 74 | 102 Ų | 102 | 40% | 0.396 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.6 | -37.5 | 179.8 | -70.2 | -19.3 | 0 | 0 | 0 | 111.9 | A424 L425 K430 K431 L432 | A424-D428 PolarHBondContact O-N 3.33Å; L425-D428 PolarHBondContact O-N 3.17Å; D428-K430 VanDerWaalsContact C-N 3.31Å; D428-K430 PolarHBondContact O-N 2.91Å; D428-K431 WeakPolarHBondContact O-CB 3.38Å; D428-K431 PolarHBondContact O-N 2.9Å; D428-K431 VanDerWaalsContact O-N 3.15Å; D428-K431 IonicContact OD1-NZ 3.78Å; D428-K431 PolarHBondContact OD1-NZ 3.05Å; D428-L432 WeakPolarHBondContact O-CG 3.48Å; D428-L432 PolarHBondContact O-N 2.86Å |
| 429 | N | 97.8 | Very high | 97.7 | Very high | 74 Ų | 74 | 101.7 Ų | 101.7 | 40% | 0.396 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 173.7 | -150.3 | -63.3 | 0 | 0 | 0 | 111.6 | L425 L432 R433 | L425-N429 VanDerWaalsContact O-CB 3.27Å; L425-N429 WeakPolarHBondContact O-CB 3.44Å; L425-N429 PolarHBondContact O-N 3.16Å; N429-L432 PolarHBondContact O-N 2.97Å; N429-R433 WeakPolarHBondContact O-CG 3.41Å; N429-R433 PolarHBondContact O-N 3.2Å; N429-R433 PolarHBondContact OD1-NE 2.89Å; N429-R433 PolarHBondContact OD1-NH1 3.49Å; N429-R433 PolarHBondContact OD1-NH2 3.11Å; N429-R433 VanDerWaalsContact OD1-NH2 3.1Å |
| 430 | K | 98.5 | Very high | 97.7 | Very high | 159 Ų | 159 | 102.8 Ų | 102.8 | 69% | 0.691 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.3 | -42.8 | 172 | -173.4 | 179.2 | 179.5 | 180 | 0 | 111.9 | E426 R427 D428 R433 A434 | E426-K430 WeakPolarHBondContact O-CB 3.49Å; E426-K430 PolarHBondContact O-N 3.08Å; R427-K430 WeakPolarHBondContact O-CB 3.45Å; R427-K430 PolarHBondContact O-N 3.34Å; D428-K430 VanDerWaalsContact C-N 3.31Å; D428-K430 PolarHBondContact O-N 2.91Å; K430-R433 PolarHBondContact O-N 2.82Å; K430-A434 PolarHBondContact O-N 3.33Å; K430-A434 VanDerWaalsContact O-N 3.13Å |
| 431 | K | 98.5 | Very high | 97.8 | Very high | 122 Ų | 122 | 104.8 Ų | 104.8 | 53% | 0.53 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 176 | -66.5 | 171.6 | -166.1 | 158.6 | 0 | 111.8 | R427 D428 R433 A434 Q435 | R427-K431 WeakPolarHBondContact O-CG 3.45Å; R427-K431 PolarHBondContact O-N 2.93Å; D428-K431 WeakPolarHBondContact O-CB 3.38Å; D428-K431 PolarHBondContact O-N 2.9Å; D428-K431 VanDerWaalsContact O-N 3.15Å; D428-K431 IonicContact OD1-NZ 3.78Å; D428-K431 PolarHBondContact OD1-NZ 3.05Å; K431-R433 VanDerWaalsContact C-N 3.33Å; K431-R433 PolarHBondContact O-N 3.27Å; K431-A434 PolarHBondContact O-N 3.36Å; K431-Q435 WeakPolarHBondContact O-CG 3.49Å; K431-Q435 PolarHBondContact O-N 3.33Å |
| 432 | L | 97.8 | Very high | 97.9 | Very high | 100 Ų | 100 | 105.3 Ų | 105.3 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -40 | 179.2 | -70.9 | 173.4 | 0 | 0 | 0 | 111.8 | D428 N429 Q435 V436 | D428-L432 WeakPolarHBondContact O-CG 3.48Å; D428-L432 PolarHBondContact O-N 2.86Å; N429-L432 PolarHBondContact O-N 2.97Å; L432-Q435 PolarHBondContact O-N 3.13Å; L432-V436 WeakPolarHBondContact O-CG2 3.49Å; L432-V436 PolarHBondContact O-N 3.47Å |
| 433 | R | 97.8 | Very high | 97.9 | Very high | 161 Ų | 161 | 104.3 Ų | 104.3 | 61% | 0.608 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.7 | -44.2 | 173.8 | -74.3 | -175.2 | -173.2 | 104.7 | -0.3 | 112.3 | N429 K430 K431 Q435 V436 E437 | N429-R433 WeakPolarHBondContact O-CG 3.41Å; N429-R433 PolarHBondContact O-N 3.2Å; N429-R433 PolarHBondContact OD1-NE 2.89Å; N429-R433 PolarHBondContact OD1-NH1 3.49Å; N429-R433 PolarHBondContact OD1-NH2 3.11Å; N429-R433 VanDerWaalsContact OD1-NH2 3.1Å; K430-R433 PolarHBondContact O-N 2.82Å; K431-R433 VanDerWaalsContact C-N 3.33Å; K431-R433 PolarHBondContact O-N 3.27Å; R433-Q435 VanDerWaalsContact C-N 3.33Å; R433-Q435 PolarHBondContact O-N 2.96Å; R433-V436 PolarHBondContact O-N 2.96Å; R433-E437 PolarHBondContact O-N 3.29Å |
| 434 | A | 98.2 | Very high | 97.9 | Very high | 45 Ų | 45 | 102.4 Ų | 102.4 | 37% | 0.372 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K430 K431 V436 E437 D438 | K430-A434 PolarHBondContact O-N 3.33Å; K430-A434 VanDerWaalsContact O-N 3.13Å; K431-A434 PolarHBondContact O-N 3.36Å; A434-V436 PolarHBondContact O-N 2.88Å; A434-E437 PolarHBondContact O-N 3.36Å; A434-D438 PolarHBondContact O-N 3.44Å |
| 435 | Q | 98.3 | Very high | 98 | Very high | 111 Ų | 111 | 105.9 Ų | 105.9 | 52% | 0.519 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64 | -38.7 | 175.7 | -71.6 | 176.8 | -5.6 | 0 | 0 | 113 | K431 L432 R433 L439 | K431-Q435 WeakPolarHBondContact O-CG 3.49Å; K431-Q435 PolarHBondContact O-N 3.33Å; L432-Q435 PolarHBondContact O-N 3.13Å; R433-Q435 VanDerWaalsContact C-N 3.33Å; R433-Q435 PolarHBondContact O-N 2.96Å; Q435-L439 WeakPolarHBondContact O-CB 3.38Å; Q435-L439 VanDerWaalsContact O-CG 3.3Å; Q435-L439 WeakPolarHBondContact O-CG 3.4Å; Q435-L439 PolarHBondContact O-N 2.93Å |
| 436 | V | 97.8 | Very high | 98.1 | Very high | 76 Ų | 76 | 106.8 Ų | 106.8 | 46% | 0.461 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.9 | -46.8 | 174.5 | 169.4 | 0 | 0 | 0 | 0 | 110.1 | L432 R433 A434 D438 L439 E440 | L432-V436 WeakPolarHBondContact O-CG2 3.49Å; L432-V436 PolarHBondContact O-N 3.47Å; R433-V436 PolarHBondContact O-N 2.96Å; A434-V436 PolarHBondContact O-N 2.88Å; V436-D438 PolarHBondContact O-N 3.36Å; V436-L439 PolarHBondContact O-N 3.44Å; V436-E440 HydrophobicContact CG1-CG 4.27Å; V436-E440 WeakPolarHBondContact O-CB 3.43Å; V436-E440 VanDerWaalsContact O-CG 3.3Å; V436-E440 WeakPolarHBondContact O-CG 3.38Å; V436-E440 PolarHBondContact O-N 3.18Å |
| 437 | E | 98.2 | Very high | 98.1 | Very high | 136 Ų | 136 | 111 Ų | 111 | 64% | 0.636 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.4 | -45.5 | 177.5 | -172.7 | 171.6 | -167.2 | 0 | 0 | 111.9 | R433 A434 L439 E440 E441 | R433-E437 PolarHBondContact O-N 3.29Å; A434-E437 PolarHBondContact O-N 3.36Å; E437-L439 PolarHBondContact O-N 2.94Å; E437-E440 PolarHBondContact O-N 2.98Å; E437-E441 PolarHBondContact O-N 2.8Å |
| 438 | D | 98.1 | Very high | 98.1 | Very high | 90 Ų | 90 | 111.1 Ų | 111.1 | 48% | 0.481 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.3 | -43.1 | 176.5 | -72.5 | -21.2 | 0 | 0 | 0 | 112.2 | A434 V436 E441 Q442 | A434-D438 PolarHBondContact O-N 3.44Å; V436-D438 PolarHBondContact O-N 3.36Å; D438-E441 PolarHBondContact O-N 3.35Å; D438-Q442 WeakPolarHBondContact O-CB 3.48Å; D438-Q442 VanDerWaalsContact O-CG 3.23Å; D438-Q442 WeakPolarHBondContact O-CG 3.38Å; D438-Q442 PolarHBondContact O-N 3.33Å |
| 439 | L | 97.9 | Very high | 98.1 | Very high | 102 Ų | 102 | 111.8 Ų | 111.8 | 53% | 0.534 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.1 | -38.4 | 178.6 | -73 | 173.8 | 0 | 0 | 0 | 112 | Q435 V436 E437 Q442 L443 | Q435-L439 WeakPolarHBondContact O-CB 3.38Å; Q435-L439 VanDerWaalsContact O-CG 3.3Å; Q435-L439 WeakPolarHBondContact O-CG 3.4Å; Q435-L439 PolarHBondContact O-N 2.93Å; V436-L439 PolarHBondContact O-N 3.44Å; E437-L439 PolarHBondContact O-N 2.94Å; L439-Q442 PolarHBondContact O-N 3.21Å; L439-L443 WeakPolarHBondContact O-CB 3.26Å; L439-L443 WeakPolarHBondContact O-CG 3.5Å; L439-L443 PolarHBondContact O-N 2.83Å |
| 440 | E | 98 | Very high | 98.1 | Very high | 125 Ų | 125 | 110.9 Ų | 110.9 | 58% | 0.584 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.3 | -42.4 | 173.8 | -75.9 | 179.6 | 172.2 | 0 | 0 | 111.2 | V436 E437 L443 A444 | V436-E440 HydrophobicContact CG1-CG 4.27Å; V436-E440 WeakPolarHBondContact O-CB 3.43Å; V436-E440 VanDerWaalsContact O-CG 3.3Å; V436-E440 WeakPolarHBondContact O-CG 3.38Å; V436-E440 PolarHBondContact O-N 3.18Å; E437-E440 PolarHBondContact O-N 2.98Å; E440-L443 PolarHBondContact O-N 2.62Å; E440-A444 WeakPolarHBondContact O-CB 3.42Å; E440-A444 PolarHBondContact O-N 3.49Å |
| 441 | E | 98.3 | Very high | 98 | Very high | 122 Ų | 122 | 106.1 Ų | 106.1 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.7 | -43.2 | 175.4 | -170.8 | -180 | -179.5 | 0 | 0 | 111.2 | E437 D438 L443 A444 K445 | E437-E441 PolarHBondContact O-N 2.8Å; D438-E441 PolarHBondContact O-N 3.35Å; E441-L443 PolarHBondContact O-N 3.09Å; E441-A444 PolarHBondContact O-N 2.82Å; E441-K445 VanDerWaalsContact O-CB 3.31Å; E441-K445 WeakPolarHBondContact O-CB 3.29Å; E441-K445 PolarHBondContact O-N 3.22Å |
| 442 | Q | 98.1 | Very high | 98 | Very high | 116 Ų | 116 | 103.6 Ų | 103.6 | 54% | 0.542 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 175.3 | -74.2 | 173.8 | 43.9 | 0 | 0 | 111.9 | D438 L439 K445 K446 | D438-Q442 WeakPolarHBondContact O-CB 3.48Å; D438-Q442 VanDerWaalsContact O-CG 3.23Å; D438-Q442 WeakPolarHBondContact O-CG 3.38Å; D438-Q442 PolarHBondContact O-N 3.33Å; L439-Q442 PolarHBondContact O-N 3.21Å; Q442-K445 PolarHBondContact O-N 3.5Å; Q442-K446 WeakPolarHBondContact O-CB 3.41Å; Q442-K446 WeakPolarHBondContact O-CG 3.21Å; Q442-K446 PolarHBondContact O-N 3.48Å |
| 443 | L | 97.8 | Very high | 98 | Very high | 96 Ų | 96 | 101 Ų | 101 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 175.3 | -78.5 | 171.7 | 0 | 0 | 0 | 111.6 | L439 E440 E441 K445 K446 R447 | L439-L443 WeakPolarHBondContact O-CB 3.26Å; L439-L443 WeakPolarHBondContact O-CG 3.5Å; L439-L443 PolarHBondContact O-N 2.83Å; E440-L443 PolarHBondContact O-N 2.62Å; E441-L443 PolarHBondContact O-N 3.09Å; L443-K445 VanDerWaalsContact C-N 3.33Å; L443-K445 PolarHBondContact O-N 2.86Å; L443-K446 PolarHBondContact O-N 2.95Å; L443-R447 WeakPolarHBondContact O-CB 3.47Å; L443-R447 VanDerWaalsContact O-CG 3.31Å; L443-R447 WeakPolarHBondContact O-CG 3.46Å; L443-R447 PolarHBondContact O-N 3.06Å |
| 444 | A | 98.1 | Very high | 98 | Very high | 31 Ų | 31 | 99.1 Ų | 99.1 | 26% | 0.256 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E440 E441 R447 R448 | E440-A444 WeakPolarHBondContact O-CB 3.42Å; E440-A444 PolarHBondContact O-N 3.49Å; E441-A444 PolarHBondContact O-N 2.82Å; A444-R447 PolarHBondContact O-N 3.03Å; A444-R448 WeakPolarHBondContact O-CG 3.34Å; A444-R448 PolarHBondContact O-N 3.33Å |
| 445 | K | 98.4 | Very high | 98 | Very high | 117 Ų | 117 | 100.6 Ų | 100.6 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 174.9 | -174.5 | 176.8 | -178 | 176 | 0 | 111.3 | E441 Q442 L443 R448 Q449 | E441-K445 VanDerWaalsContact O-CB 3.31Å; E441-K445 WeakPolarHBondContact O-CB 3.29Å; E441-K445 PolarHBondContact O-N 3.22Å; Q442-K445 PolarHBondContact O-N 3.5Å; L443-K445 VanDerWaalsContact C-N 3.33Å; L443-K445 PolarHBondContact O-N 2.86Å; K445-R448 PolarHBondContact O-N 3.38Å; K445-Q449 WeakPolarHBondContact O-CB 3.35Å; K445-Q449 VanDerWaalsContact O-CG 3.29Å; K445-Q449 WeakPolarHBondContact O-CG 3.22Å; K445-Q449 PolarHBondContact O-N 3.13Å |
| 446 | K | 98.1 | Very high | 97.9 | Very high | 139 Ų | 139 | 99.3 Ų | 99.3 | 60% | 0.604 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.9 | -41.7 | 176.3 | -73.4 | -69.8 | -179.4 | -175.7 | 0 | 112.2 | Q442 L443 Q449 A450 | Q442-K446 WeakPolarHBondContact O-CB 3.41Å; Q442-K446 WeakPolarHBondContact O-CG 3.21Å; Q442-K446 PolarHBondContact O-N 3.48Å; L443-K446 PolarHBondContact O-N 2.95Å; K446-Q449 PolarHBondContact O-N 3.49Å; K446-A450 WeakPolarHBondContact O-CB 3.41Å; K446-A450 PolarHBondContact O-N 2.85Å |
| 447 | R | 98 | Very high | 98 | Very high | 183 Ų | 183 | 100 Ų | 100 | 69% | 0.691 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.5 | -46.2 | 173.7 | -74.7 | 174.2 | -178.7 | 156.8 | 1.4 | 111.8 | L443 A444 A450 A451 | L443-R447 WeakPolarHBondContact O-CB 3.47Å; L443-R447 VanDerWaalsContact O-CG 3.31Å; L443-R447 WeakPolarHBondContact O-CG 3.46Å; L443-R447 PolarHBondContact O-N 3.06Å; A444-R447 PolarHBondContact O-N 3.03Å; R447-A450 PolarHBondContact O-N 3.37Å; R447-A451 WeakPolarHBondContact O-CB 3.39Å; R447-A451 PolarHBondContact O-N 3.24Å |
| 448 | R | 98 | Very high | 97.9 | Very high | 155 Ų | 155 | 97.8 Ų | 97.8 | 59% | 0.585 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.8 | -44.7 | 175.8 | -79.1 | -177.2 | -109.7 | 123.8 | -3.5 | 112 | A444 K445 A451 S452 | A444-R448 WeakPolarHBondContact O-CG 3.34Å; A444-R448 PolarHBondContact O-N 3.33Å; K445-R448 PolarHBondContact O-N 3.38Å; R448-A451 PolarHBondContact O-N 2.95Å; R448-S452 PolarHBondContact O-N 3.35Å; R448-S452 PolarHBondContact O-OG 3.34Å |
| 449 | Q | 97.7 | Very high | 97.9 | Very high | 88 Ų | 88 | 98.8 Ų | 98.8 | 41% | 0.411 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 177.3 | -74.5 | 175.2 | -14.3 | 0 | 0 | 112.1 | K445 K446 S452 A453 | K445-Q449 WeakPolarHBondContact O-CB 3.35Å; K445-Q449 VanDerWaalsContact O-CG 3.29Å; K445-Q449 WeakPolarHBondContact O-CG 3.22Å; K445-Q449 PolarHBondContact O-N 3.13Å; K446-Q449 PolarHBondContact O-N 3.49Å; Q449-S452 WeakPolarHBondContact CA-OG 3.43Å; Q449-S452 PolarHBondContact O-N 3.29Å; Q449-S452 PolarHBondContact O-OG 3.47Å; Q449-A453 PolarHBondContact O-N 3.13Å |
| 450 | A | 97.8 | Very high | 97.9 | Very high | 54 Ų | 54 | 96.2 Ų | 96.2 | 45% | 0.446 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | K446 R447 S452 A453 L454 | K446-A450 WeakPolarHBondContact O-CB 3.41Å; K446-A450 PolarHBondContact O-N 2.85Å; R447-A450 PolarHBondContact O-N 3.37Å; A450-S452 PolarHBondContact O-N 3.47Å; A450-A453 PolarHBondContact O-N 2.97Å; A450-L454 WeakPolarHBondContact O-CG 3.4Å; A450-L454 PolarHBondContact O-N 2.69Å |
| 451 | A | 97.8 | Very high | 97.9 | Very high | 59 Ų | 59 | 95.4 Ų | 95.4 | 49% | 0.488 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R447 R448 L454 D455 | R447-A451 WeakPolarHBondContact O-CB 3.39Å; R447-A451 PolarHBondContact O-N 3.24Å; R448-A451 PolarHBondContact O-N 2.95Å; A451-L454 PolarHBondContact O-N 3.39Å; A451-D455 WeakPolarHBondContact O-CB 3.37Å; A451-D455 PolarHBondContact O-N 3.02Å |
| 452 | S | 97.8 | Very high | 97.9 | Very high | 69 Ų | 69 | 95.1 Ų | 95.1 | 48% | 0.483 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.4 | -38.1 | 176.9 | 57.3 | 0 | 0 | 0 | 0 | 112.9 | R448 Q449 A450 D455 T456 | R448-S452 PolarHBondContact O-N 3.35Å; R448-S452 PolarHBondContact O-OG 3.34Å; Q449-S452 WeakPolarHBondContact CA-OG 3.43Å; Q449-S452 PolarHBondContact O-N 3.29Å; Q449-S452 PolarHBondContact O-OG 3.47Å; A450-S452 PolarHBondContact O-N 3.47Å; S452-D455 PolarHBondContact O-N 3.05Å; S452-T456 WeakPolarHBondContact O-CG2 3.21Å; S452-T456 PolarHBondContact O-N 3.24Å; S452-T456 PolarHBondContact O-OG1 2.88Å |
| 453 | A | 97.7 | Very high | 97.9 | Very high | 46 Ų | 46 | 93 Ų | 93 | 38% | 0.38 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.6 | -43.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q449 A450 D455 T456 D457 | Q449-A453 PolarHBondContact O-N 3.13Å; A450-A453 PolarHBondContact O-N 2.97Å; A453-D455 VanDerWaalsContact C-N 3.34Å; A453-D455 PolarHBondContact O-N 2.97Å; A453-T456 WeakPolarHBondContact CA-OG1 3.36Å; A453-T456 PolarHBondContact O-N 3.39Å; A453-T456 PolarHBondContact O-OG1 3.48Å; A453-D457 VanDerWaalsContact O-CG 3.25Å; A453-D457 PolarHBondContact O-N 2.92Å |
| 454 | L | 97.6 | Very high | 97.9 | Very high | 121 Ų | 121 | 93.4 Ų | 93.4 | 63% | 0.634 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.1 | -37.4 | 175.6 | -68.9 | 174.5 | 0 | 0 | 0 | 112.4 | A450 A451 D457 L458 | A450-L454 WeakPolarHBondContact O-CG 3.4Å; A450-L454 PolarHBondContact O-N 2.69Å; A451-L454 PolarHBondContact O-N 3.39Å; L454-D457 PolarHBondContact O-N 2.88Å; L454-L458 WeakPolarHBondContact O-CB 3.27Å; L454-L458 PolarHBondContact O-N 3.38Å |
| 455 | D | 98 | Very high | 97.9 | Very high | 76 Ų | 76 | 96.9 Ų | 96.9 | 41% | 0.406 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.2 | -39.6 | 176 | -175.4 | 67.5 | 0 | 0 | 0 | 112 | A451 S452 A453 K459 | A451-D455 WeakPolarHBondContact O-CB 3.37Å; A451-D455 PolarHBondContact O-N 3.02Å; S452-D455 PolarHBondContact O-N 3.05Å; A453-D455 VanDerWaalsContact C-N 3.34Å; A453-D455 PolarHBondContact O-N 2.97Å; D455-K459 WeakPolarHBondContact O-CB 3.46Å; D455-K459 WeakPolarHBondContact O-CG 3.5Å; D455-K459 PolarHBondContact O-N 3.16Å; D455-K459 IonicContact OD1-NZ 2.97Å; D455-K459 WeakPolarHBondContact OD2-CE 3.36Å; D455-K459 IonicContact OD2-NZ 3.15Å; D455-K459 PolarHBondContact OD2-NZ 3.49Å |
| 456 | T | 97.7 | Very high | 97.9 | Very high | 84 Ų | 84 | 98.2 Ų | 98.2 | 52% | 0.515 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 174.5 | 49.8 | 0 | 0 | 0 | 0 | 112 | S452 A453 K459 A460 | S452-T456 WeakPolarHBondContact O-CG2 3.21Å; S452-T456 PolarHBondContact O-N 3.24Å; S452-T456 PolarHBondContact O-OG1 2.88Å; A453-T456 WeakPolarHBondContact CA-OG1 3.36Å; A453-T456 PolarHBondContact O-N 3.39Å; A453-T456 PolarHBondContact O-OG1 3.48Å; T456-K459 PolarHBondContact O-N 3.19Å; T456-A460 WeakPolarHBondContact O-CB 3.46Å; T456-A460 PolarHBondContact O-N 3.39Å |
| 457 | D | 98.1 | Very high | 97.9 | Very high | 92 Ų | 92 | 96.5 Ų | 96.5 | 49% | 0.492 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.3 | -41.8 | 178.9 | -67.5 | -11.2 | 0 | 0 | 0 | 111.1 | A453 L454 K459 A460 I461 | A453-D457 VanDerWaalsContact O-CG 3.25Å; A453-D457 PolarHBondContact O-N 2.92Å; L454-D457 PolarHBondContact O-N 2.88Å; D457-K459 PolarHBondContact O-N 2.88Å; D457-A460 PolarHBondContact O-N 3.44Å; D457-I461 WeakPolarHBondContact O-CB 3.48Å; D457-I461 VanDerWaalsContact O-CG1 3.29Å; D457-I461 WeakPolarHBondContact O-CG1 3.29Å; D457-I461 PolarHBondContact O-N 3Å |
| 458 | L | 98 | Very high | 97.8 | Very high | 88 Ų | 88 | 93.4 Ų | 93.4 | 46% | 0.461 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 176.7 | -179.1 | 147.3 | 0 | 0 | 0 | 111.3 | L454 I461 Q462 | L454-L458 WeakPolarHBondContact O-CB 3.27Å; L454-L458 PolarHBondContact O-N 3.38Å; L458-I461 PolarHBondContact O-N 2.98Å; L458-Q462 VanDerWaalsContact CD2-CD 3.49Å; L458-Q462 HydrophobicContact CD2-CG 4.26Å; L458-Q462 VanDerWaalsContact CD2-NE2 3.33Å; L458-Q462 WeakPolarHBondContact O-CB 3.43Å; L458-Q462 WeakPolarHBondContact O-CG 3.45Å; L458-Q462 PolarHBondContact O-N 3.32Å |
| 459 | K | 98.3 | Very high | 97.8 | Very high | 112 Ų | 112 | 90.2 Ų | 90.2 | 49% | 0.487 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 174.8 | -76.6 | 169.2 | 178.3 | 161.6 | 0 | 111.9 | D455 T456 D457 Q462 S463 | D455-K459 WeakPolarHBondContact O-CB 3.46Å; D455-K459 WeakPolarHBondContact O-CG 3.5Å; D455-K459 PolarHBondContact O-N 3.16Å; D455-K459 IonicContact OD1-NZ 2.97Å; D455-K459 WeakPolarHBondContact OD2-CE 3.36Å; D455-K459 IonicContact OD2-NZ 3.15Å; D455-K459 PolarHBondContact OD2-NZ 3.49Å; T456-K459 PolarHBondContact O-N 3.19Å; D457-K459 PolarHBondContact O-N 2.88Å; K459-Q462 PolarHBondContact O-N 3.22Å; K459-S463 PolarHBondContact O-N 3.42Å; K459-S463 PolarHBondContact O-OG 2.93Å |
| 460 | A | 97.8 | Very high | 97.9 | Very high | 47 Ų | 47 | 92.2 Ų | 92.2 | 39% | 0.388 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.2 | -50 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T456 D457 Q462 S463 E464 | T456-A460 WeakPolarHBondContact O-CB 3.46Å; T456-A460 PolarHBondContact O-N 3.39Å; D457-A460 PolarHBondContact O-N 3.44Å; A460-Q462 VanDerWaalsContact C-N 3.3Å; A460-Q462 PolarHBondContact O-N 3.44Å; A460-S463 WeakPolarHBondContact O-CB 3.26Å; A460-S463 PolarHBondContact O-N 2.95Å; A460-S463 VanDerWaalsContact O-N 3.15Å; A460-E464 PolarHBondContact O-N 3.3Å |
| 461 | I | 97.8 | Very high | 97.9 | Very high | 109 Ų | 109 | 94.1 Ų | 94.1 | 56% | 0.559 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.9 | -39.5 | 177.1 | -67.5 | 167.2 | 0 | 0 | 0 | 111 | D457 L458 E464 L465 | D457-I461 WeakPolarHBondContact O-CB 3.48Å; D457-I461 VanDerWaalsContact O-CG1 3.29Å; D457-I461 WeakPolarHBondContact O-CG1 3.29Å; D457-I461 PolarHBondContact O-N 3Å; L458-I461 PolarHBondContact O-N 2.98Å; I461-E464 PolarHBondContact O-N 3.46Å; I461-L465 WeakPolarHBondContact O-CB 3.43Å; I461-L465 PolarHBondContact O-N 2.78Å |
| 462 | Q | 98 | Very high | 97.9 | Very high | 116 Ų | 116 | 95.2 Ų | 95.2 | 54% | 0.542 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 175.2 | -79.7 | 178.7 | -12.2 | 0 | 0 | 112.3 | L458 K459 A460 L465 F466 | L458-Q462 VanDerWaalsContact CD2-CD 3.49Å; L458-Q462 HydrophobicContact CD2-CG 4.26Å; L458-Q462 VanDerWaalsContact CD2-NE2 3.33Å; L458-Q462 WeakPolarHBondContact O-CB 3.43Å; L458-Q462 WeakPolarHBondContact O-CG 3.45Å; L458-Q462 PolarHBondContact O-N 3.32Å; K459-Q462 PolarHBondContact O-N 3.22Å; A460-Q462 VanDerWaalsContact C-N 3.3Å; A460-Q462 PolarHBondContact O-N 3.44Å; Q462-L465 PolarHBondContact O-N 2.87Å; Q462-F466 WeakPolarHBondContact O-CB 3.49Å; Q462-F466 PolarHBondContact O-N 2.82Å |
| 463 | S | 97.6 | Very high | 97.9 | Very high | 72 Ų | 72 | 94.2 Ų | 94.2 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 175.8 | -68 | 0 | 0 | 0 | 0 | 111.8 | K459 A460 L465 F466 E467 | K459-S463 PolarHBondContact O-N 3.42Å; K459-S463 PolarHBondContact O-OG 2.93Å; A460-S463 WeakPolarHBondContact O-CB 3.26Å; A460-S463 PolarHBondContact O-N 2.95Å; A460-S463 VanDerWaalsContact O-N 3.15Å; S463-L465 PolarHBondContact O-N 3.16Å; S463-F466 WeakPolarHBondContact O-CB 3.24Å; S463-F466 PolarHBondContact O-N 3.42Å; S463-E467 WeakPolarHBondContact O-CG 3.46Å; S463-E467 PolarHBondContact O-N 2.92Å |
| 464 | E | 97.9 | Very high | 97.9 | Very high | 104 Ų | 104 | 96.3 Ų | 96.3 | 49% | 0.486 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 177 | -71.9 | -178.4 | -167.1 | 0 | 0 | 111.9 | A460 I461 F466 E467 R468 | A460-E464 PolarHBondContact O-N 3.3Å; I461-E464 PolarHBondContact O-N 3.46Å; E464-F466 VanDerWaalsContact C-N 3.3Å; E464-F466 PolarHBondContact O-N 3.48Å; E464-E467 PolarHBondContact O-N 2.93Å; E464-R468 VanDerWaalsContact O-CG 3.28Å; E464-R468 WeakPolarHBondContact O-CG 3.43Å; E464-R468 PolarHBondContact O-N 2.97Å |
| 465 | L | 97.9 | Very high | 97.9 | Very high | 103 Ų | 103 | 96 Ų | 96 | 54% | 0.539 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.1 | -40.1 | 177.3 | -175.7 | 150.4 | 0 | 0 | 0 | 111.3 | I461 Q462 S463 N469 | I461-L465 WeakPolarHBondContact O-CB 3.43Å; I461-L465 PolarHBondContact O-N 2.78Å; Q462-L465 PolarHBondContact O-N 2.87Å; S463-L465 PolarHBondContact O-N 3.16Å; L465-N469 WeakPolarHBondContact CD2-ND2 3.4Å; L465-N469 WeakPolarHBondContact O-CB 3.5Å; L465-N469 PolarHBondContact O-N 3.49Å; L465-N469 PolarHBondContact O-ND2 2.89Å |
| 466 | F | 98 | Very high | 97.9 | Very high | 145 Ų | 145 | 101 Ų | 101 | 64% | 0.636 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.8 | -45.5 | 174.9 | -179.2 | -94.5 | 0 | 0 | 0 | 111.7 | Q462 S463 E464 N469 K470 | Q462-F466 WeakPolarHBondContact O-CB 3.49Å; Q462-F466 PolarHBondContact O-N 2.82Å; S463-F466 WeakPolarHBondContact O-CB 3.24Å; S463-F466 PolarHBondContact O-N 3.42Å; E464-F466 VanDerWaalsContact C-N 3.3Å; E464-F466 PolarHBondContact O-N 3.48Å; F466-N469 PolarHBondContact O-N 3.46Å; F466-K470 PolarHBondContact O-N 2.87Å |
| 467 | E | 98.1 | Very high | 97.9 | Very high | 104 Ų | 104 | 102.2 Ų | 102.2 | 49% | 0.486 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 176 | -72 | 178.9 | 172 | 0 | 0 | 112 | S463 E464 N469 K470 E471 | S463-E467 WeakPolarHBondContact O-CG 3.46Å; S463-E467 PolarHBondContact O-N 2.92Å; E464-E467 PolarHBondContact O-N 2.93Å; E467-N469 VanDerWaalsContact C-N 3.3Å; E467-N469 PolarHBondContact O-N 3.06Å; E467-K470 WeakPolarHBondContact O-CB 3.23Å; E467-K470 PolarHBondContact O-N 2.67Å; E467-K470 VanDerWaalsContact O-N 3.09Å; E467-E471 WeakPolarHBondContact O-CG 3.29Å; E467-E471 PolarHBondContact O-N 3.28Å |
| 468 | R | 97.4 | Very high | 97.9 | Very high | 118 Ų | 118 | 101.7 Ų | 101.7 | 45% | 0.445 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.5 | -39.6 | 176.1 | -67.3 | -64.5 | 124.5 | 63.1 | 7 | 112 | E464 K470 E471 L472 | E464-R468 VanDerWaalsContact O-CG 3.28Å; E464-R468 WeakPolarHBondContact O-CG 3.43Å; E464-R468 PolarHBondContact O-N 2.97Å; R468-K470 VanDerWaalsContact C-N 3.33Å; R468-K470 PolarHBondContact O-N 2.92Å; R468-E471 WeakPolarHBondContact CD-OE2 3.45Å; R468-E471 IonicContact NE-OE1 3.64Å; R468-E471 IonicContact NE-OE2 3.39Å; R468-E471 PolarHBondContact NE-OE2 3.2Å; R468-E471 PolarHBondContact O-N 3.41Å; R468-L472 WeakPolarHBondContact O-CB 3.31Å; R468-L472 VanDerWaalsContact O-CG 3.28Å; R468-L472 WeakPolarHBondContact O-CG 3.31Å; R468-L472 PolarHBondContact O-N 3.04Å |
| 469 | N | 98.1 | Very high | 97.9 | Very high | 88 Ų | 88 | 103.5 Ų | 103.5 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.5 | -38.2 | 175.2 | -83.6 | -32.5 | 0 | 0 | 0 | 112.4 | L465 F466 E467 L472 A473 | L465-N469 WeakPolarHBondContact CD2-ND2 3.4Å; L465-N469 WeakPolarHBondContact O-CB 3.5Å; L465-N469 PolarHBondContact O-N 3.49Å; L465-N469 PolarHBondContact O-ND2 2.89Å; F466-N469 PolarHBondContact O-N 3.46Å; E467-N469 VanDerWaalsContact C-N 3.3Å; E467-N469 PolarHBondContact O-N 3.06Å; N469-L472 PolarHBondContact O-N 2.93Å; N469-A473 PolarHBondContact O-N 3.08Å |
| 470 | K | 98.4 | Very high | 97.9 | Very high | 130 Ų | 130 | 99.9 Ų | 99.9 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.6 | -49 | 173.8 | -175.9 | -175.3 | 174.3 | -171.9 | 0 | 111.1 | F466 E467 R468 L472 A473 D474 | F466-K470 PolarHBondContact O-N 2.87Å; E467-K470 WeakPolarHBondContact O-CB 3.23Å; E467-K470 PolarHBondContact O-N 2.67Å; E467-K470 VanDerWaalsContact O-N 3.09Å; R468-K470 VanDerWaalsContact C-N 3.33Å; R468-K470 PolarHBondContact O-N 2.92Å; K470-L472 VanDerWaalsContact C-N 3.3Å; K470-L472 PolarHBondContact O-N 3.45Å; K470-A473 WeakPolarHBondContact O-CB 3.44Å; K470-A473 PolarHBondContact O-N 2.87Å; K470-D474 PolarHBondContact O-N 2.86Å |
| 471 | E | 98.1 | Very high | 97.9 | Very high | 94 Ų | 94 | 103.3 Ų | 103.3 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -56.5 | -43.1 | 175 | -71.1 | 170.3 | -178.7 | 0 | 0 | 111.7 | E467 R468 A473 D474 L475 | E467-E471 WeakPolarHBondContact O-CG 3.29Å; E467-E471 PolarHBondContact O-N 3.28Å; R468-E471 WeakPolarHBondContact CD-OE2 3.45Å; R468-E471 IonicContact NE-OE1 3.64Å; R468-E471 IonicContact NE-OE2 3.39Å; R468-E471 PolarHBondContact NE-OE2 3.2Å; R468-E471 PolarHBondContact O-N 3.41Å; E471-A473 VanDerWaalsContact C-N 3.34Å; E471-A473 PolarHBondContact O-N 3.48Å; E471-D474 PolarHBondContact O-N 3.37Å; E471-L475 WeakPolarHBondContact O-CB 3.28Å; E471-L475 WeakPolarHBondContact O-CG 3.42Å; E471-L475 PolarHBondContact O-N 3.5Å |
| 472 | L | 97.5 | Very high | 97.9 | Very high | 81 Ų | 81 | 103.2 Ų | 103.2 | 42% | 0.424 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62 | -39.9 | 175.1 | -78.5 | 173.4 | 0 | 0 | 0 | 112.4 | R468 N469 K470 R476 | R468-L472 WeakPolarHBondContact O-CB 3.31Å; R468-L472 VanDerWaalsContact O-CG 3.28Å; R468-L472 WeakPolarHBondContact O-CG 3.31Å; R468-L472 PolarHBondContact O-N 3.04Å; N469-L472 PolarHBondContact O-N 2.93Å; K470-L472 VanDerWaalsContact C-N 3.3Å; K470-L472 PolarHBondContact O-N 3.45Å; L472-R476 WeakPolarHBondContact O-CB 3.34Å; L472-R476 VanDerWaalsContact O-CG 3.26Å; L472-R476 WeakPolarHBondContact O-CG 3.36Å; L472-R476 PolarHBondContact O-N 3.29Å |
| 473 | A | 97.9 | Very high | 97.9 | Very high | 48 Ų | 48 | 103.4 Ų | 103.4 | 40% | 0.397 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | N469 K470 E471 R476 H477 | N469-A473 PolarHBondContact O-N 3.08Å; K470-A473 WeakPolarHBondContact O-CB 3.44Å; K470-A473 PolarHBondContact O-N 2.87Å; E471-A473 VanDerWaalsContact C-N 3.34Å; E471-A473 PolarHBondContact O-N 3.48Å; A473-R476 WeakPolarHBondContact O-CB 3.35Å; A473-R476 PolarHBondContact O-N 2.92Å; A473-H477 PolarHBondContact O-N 2.96Å |
| 474 | D | 97.9 | Very high | 97.9 | Very high | 90 Ų | 90 | 106 Ų | 106 | 48% | 0.481 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 176.7 | -69.1 | -24.4 | 0 | 0 | 0 | 111.2 | K470 E471 R476 H477 V478 | K470-D474 PolarHBondContact O-N 2.86Å; E471-D474 PolarHBondContact O-N 3.37Å; D474-R476 PolarHBondContact O-N 2.79Å; D474-H477 WeakPolarHBondContact O-CB 3.37Å; D474-H477 PolarHBondContact O-N 3.38Å; D474-H477 VanDerWaalsContact O-N 3.14Å; D474-V478 WeakPolarHBondContact O-CG2 3.49Å; D474-V478 PolarHBondContact O-N 3.38Å |
| 475 | L | 97.9 | Very high | 97.9 | Very high | 114 Ų | 114 | 106.4 Ų | 106.4 | 60% | 0.597 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.3 | -42.1 | 175.1 | -75.2 | 173.8 | 0 | 0 | 0 | 112.2 | E471 H477 V478 H479 | E471-L475 WeakPolarHBondContact O-CB 3.28Å; E471-L475 WeakPolarHBondContact O-CG 3.42Å; E471-L475 PolarHBondContact O-N 3.5Å; L475-H477 VanDerWaalsContact C-N 3.29Å; L475-H477 PolarHBondContact O-N 2.97Å; L475-V478 PolarHBondContact O-N 2.86Å; L475-H479 VanDerWaalsContact O-CB 3.26Å; L475-H479 WeakPolarHBondContact O-CB 3.27Å; L475-H479 PolarHBondContact O-N 2.85Å |
| 476 | R | 98 | Very high | 97.8 | Very high | 181 Ų | 181 | 108.4 Ų | 108.4 | 68% | 0.683 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.7 | -41.1 | 173.7 | -77.8 | 171.7 | 178.6 | 153.5 | 1.1 | 111.6 | L472 A473 D474 G480 | L472-R476 WeakPolarHBondContact O-CB 3.34Å; L472-R476 VanDerWaalsContact O-CG 3.26Å; L472-R476 WeakPolarHBondContact O-CG 3.36Å; L472-R476 PolarHBondContact O-N 3.29Å; A473-R476 WeakPolarHBondContact O-CB 3.35Å; A473-R476 PolarHBondContact O-N 2.92Å; D474-R476 PolarHBondContact O-N 2.79Å; R476-G480 PolarHBondContact O-N 3.22Å |
| 477 | H | 98 | Very high | 97.8 | Very high | 110 Ų | 110 | 106.8 Ų | 106.8 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.7 | -45.6 | 178.1 | -176.8 | 66.8 | 0 | 0 | 0 | 112.2 | A473 D474 L475 G480 K481 | A473-H477 PolarHBondContact O-N 2.96Å; D474-H477 WeakPolarHBondContact O-CB 3.37Å; D474-H477 PolarHBondContact O-N 3.38Å; D474-H477 VanDerWaalsContact O-N 3.14Å; L475-H477 VanDerWaalsContact C-N 3.29Å; L475-H477 PolarHBondContact O-N 2.97Å; H477-G480 PolarHBondContact O-N 2.96Å; H477-K481 WeakPolarHBondContact NE2-CE 3.39Å; H477-K481 PolarHBondContact NE2-NZ 2.7Å; H477-K481 PolarHBondContact O-N 3.49Å |
| 478 | V | 98 | Very high | 97.8 | Very high | 82 Ų | 82 | 106.3 Ų | 106.3 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 175.4 | 173.3 | 0 | 0 | 0 | 0 | 111 | D474 L475 G480 K481 L482 | D474-V478 WeakPolarHBondContact O-CG2 3.49Å; D474-V478 PolarHBondContact O-N 3.38Å; L475-V478 PolarHBondContact O-N 2.86Å; V478-G480 VanDerWaalsContact C-N 3.29Å; V478-G480 PolarHBondContact O-N 3.43Å; V478-K481 WeakPolarHBondContact O-CB 3.29Å; V478-K481 PolarHBondContact O-N 3.48Å; V478-K481 VanDerWaalsContact O-N 3.14Å; V478-L482 PolarHBondContact O-N 3.02Å |
| 479 | H | 97.5 | Very high | 97.8 | Very high | 125 Ų | 125 | 108.5 Ų | 108.5 | 58% | 0.579 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -57 | -43.2 | 174.7 | 173.1 | -91.8 | 0 | 0 | 0 | 111.5 | L475 K481 L482 K483 | L475-H479 VanDerWaalsContact O-CB 3.26Å; L475-H479 WeakPolarHBondContact O-CB 3.27Å; L475-H479 PolarHBondContact O-N 2.85Å; H479-K481 PolarHBondContact O-N 2.97Å; H479-L482 PolarHBondContact O-N 2.86Å; H479-K483 VanDerWaalsContact O-CB 3.3Å; H479-K483 WeakPolarHBondContact O-CB 3.41Å; H479-K483 PolarHBondContact O-N 3.34Å |
| 480 | G | 98.1 | Very high | 97.8 | Very high | 37 Ų | 37 | 107.7 Ų | 107.7 | 38% | 0.381 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.9 | -44.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R476 H477 V478 K484 | R476-G480 PolarHBondContact O-N 3.22Å; H477-G480 PolarHBondContact O-N 2.96Å; V478-G480 VanDerWaalsContact C-N 3.29Å; V478-G480 PolarHBondContact O-N 3.43Å; G480-K484 PolarHBondContact O-N 2.87Å; G480-K484 VanDerWaalsContact O-N 3.1Å |
| 481 | K | 98.3 | Very high | 97.7 | Very high | 118 Ų | 118 | 103.8 Ų | 103.8 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61 | -48.1 | 174.4 | -75.3 | 174.6 | 168.5 | 163.7 | 0 | 111.9 | H477 V478 H479 K483 K484 Q485 | H477-K481 WeakPolarHBondContact NE2-CE 3.39Å; H477-K481 PolarHBondContact NE2-NZ 2.7Å; H477-K481 PolarHBondContact O-N 3.49Å; V478-K481 WeakPolarHBondContact O-CB 3.29Å; V478-K481 PolarHBondContact O-N 3.48Å; V478-K481 VanDerWaalsContact O-N 3.14Å; H479-K481 PolarHBondContact O-N 2.97Å; K481-K483 VanDerWaalsContact C-N 3.34Å; K481-K483 PolarHBondContact O-N 3.06Å; K481-K484 WeakPolarHBondContact O-CB 3.32Å; K481-K484 PolarHBondContact O-N 3.5Å; K481-Q485 PolarHBondContact O-N 3.41Å |
| 482 | L | 97.6 | Very high | 97.7 | Very high | 107 Ų | 107 | 104 Ų | 104 | 56% | 0.56 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65 | -39.2 | -178.4 | -147.7 | 74.9 | 0 | 0 | 0 | 111.6 | V478 H479 K484 Q485 F486 | V478-L482 PolarHBondContact O-N 3.02Å; H479-L482 PolarHBondContact O-N 2.86Å; L482-K484 VanDerWaalsContact C-N 3.33Å; L482-K484 PolarHBondContact O-N 3.47Å; L482-Q485 PolarHBondContact O-N 3.32Å; L482-F486 WeakPolarHBondContact O-CB 3.42Å; L482-F486 PolarHBondContact O-N 3.39Å |
| 483 | K | 98.3 | Very high | 97.6 | Very high | 120 Ų | 120 | 105 Ų | 105 | 52% | 0.522 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 172.8 | -176.8 | 178.3 | -179.5 | 179.2 | 0 | 111.5 | H479 K481 F486 Q487 | H479-K483 VanDerWaalsContact O-CB 3.3Å; H479-K483 WeakPolarHBondContact O-CB 3.41Å; H479-K483 PolarHBondContact O-N 3.34Å; K481-K483 VanDerWaalsContact C-N 3.34Å; K481-K483 PolarHBondContact O-N 3.06Å; K483-F486 PolarHBondContact O-N 3.4Å; K483-Q487 WeakPolarHBondContact O-CG 3.24Å; K483-Q487 PolarHBondContact O-N 3.45Å |
| 484 | K | 98.1 | Very high | 97.5 | Very high | 127 Ų | 127 | 104.4 Ų | 104.4 | 55% | 0.552 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64 | -46.1 | 176.6 | -168.8 | -176.3 | 177.1 | -171.9 | 0 | 111.5 | G480 K481 L482 F486 Q487 E488 | G480-K484 PolarHBondContact O-N 2.87Å; G480-K484 VanDerWaalsContact O-N 3.1Å; K481-K484 WeakPolarHBondContact O-CB 3.32Å; K481-K484 PolarHBondContact O-N 3.5Å; L482-K484 VanDerWaalsContact C-N 3.33Å; L482-K484 PolarHBondContact O-N 3.47Å; K484-F486 VanDerWaalsContact C-N 3.32Å; K484-F486 PolarHBondContact O-N 2.92Å; K484-Q487 WeakPolarHBondContact O-CB 3.5Å; K484-Q487 PolarHBondContact O-N 3.47Å; K484-E488 VanDerWaalsContact CE-OE1 3.27Å; K484-E488 WeakPolarHBondContact CE-OE1 3.36Å; K484-E488 WeakPolarHBondContact O-CG 3.35Å; K484-E488 PolarHBondContact O-N 3.37Å |
| 485 | Q | 97.3 | Very high | 97.5 | Very high | 112 Ų | 112 | 105.4 Ų | 105.4 | 52% | 0.523 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 175.2 | -72.5 | -179 | -8.5 | 0 | 0 | 112.3 | K481 L482 Q487 E488 R489 | K481-Q485 PolarHBondContact O-N 3.41Å; L482-Q485 PolarHBondContact O-N 3.32Å; Q485-Q487 VanDerWaalsContact C-N 3.34Å; Q485-Q487 PolarHBondContact O-N 3.28Å; Q485-E488 PolarHBondContact O-N 2.95Å; Q485-R489 WeakPolarHBondContact O-CG 3.35Å; Q485-R489 PolarHBondContact O-N 2.89Å |
| 486 | F | 96.5 | Very high | 97.4 | Very high | 146 Ų | 146 | 101.5 Ų | 101.5 | 64% | 0.64 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.2 | -41.7 | 176 | -178 | -92.9 | 0 | 0 | 0 | 111.7 | L482 K483 K484 R489 T490 | L482-F486 WeakPolarHBondContact O-CB 3.42Å; L482-F486 PolarHBondContact O-N 3.39Å; K483-F486 PolarHBondContact O-N 3.4Å; K484-F486 VanDerWaalsContact C-N 3.32Å; K484-F486 PolarHBondContact O-N 2.92Å; F486-R489 PolarHBondContact O-N 2.88Å; F486-T490 WeakPolarHBondContact CE1-OG1 3.4Å; F486-T490 WeakPolarHBondContact O-CB 3.35Å; F486-T490 PolarHBondContact O-N 2.93Å; F486-T490 PolarHBondContact O-OG1 3.24Å |
| 487 | Q | 97.6 | Very high | 97.3 | Very high | 111 Ų | 111 | 96.8 Ų | 96.8 | 52% | 0.519 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 174.7 | -72.8 | 173.4 | -14.4 | 0 | 0 | 112 | K483 K484 Q485 T490 A491 | K483-Q487 WeakPolarHBondContact O-CG 3.24Å; K483-Q487 PolarHBondContact O-N 3.45Å; K484-Q487 WeakPolarHBondContact O-CB 3.5Å; K484-Q487 PolarHBondContact O-N 3.47Å; Q485-Q487 VanDerWaalsContact C-N 3.34Å; Q485-Q487 PolarHBondContact O-N 3.28Å; Q487-T490 PolarHBondContact O-N 2.92Å; Q487-A491 PolarHBondContact O-N 3.11Å |
| 488 | E | 97.4 | Very high | 97.3 | Very high | 93 Ų | 93 | 98.4 Ų | 98.4 | 44% | 0.435 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.4 | -49.7 | 174.9 | -71.8 | 166.1 | -175.2 | 0 | 0 | 110.9 | K484 Q485 T490 A491 E492 | K484-E488 VanDerWaalsContact CE-OE1 3.27Å; K484-E488 WeakPolarHBondContact CE-OE1 3.36Å; K484-E488 WeakPolarHBondContact O-CG 3.35Å; K484-E488 PolarHBondContact O-N 3.37Å; Q485-E488 PolarHBondContact O-N 2.95Å; E488-T490 VanDerWaalsContact C-N 3.34Å; E488-T490 PolarHBondContact O-N 2.98Å; E488-A491 WeakPolarHBondContact O-CB 3.48Å; E488-A491 PolarHBondContact O-N 2.86Å; E488-E492 WeakPolarHBondContact O-CG 3.41Å; E488-E492 PolarHBondContact O-N 3.3Å |
| 489 | R | 97.3 | Very high | 97.2 | Very high | 165 Ų | 165 | 102.2 Ų | 102.2 | 62% | 0.623 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.9 | -37.6 | 176.1 | -68.5 | -55.8 | -172.8 | -176.6 | -1.4 | 113.2 | Q485 F486 A491 E492 L493 | Q485-R489 WeakPolarHBondContact O-CG 3.35Å; Q485-R489 PolarHBondContact O-N 2.89Å; F486-R489 PolarHBondContact O-N 2.88Å; R489-A491 VanDerWaalsContact C-N 3.33Å; R489-E492 WeakPolarHBondContact CD-OE2 3.35Å; R489-E492 IonicContact CZ-OE2 3.57Å; R489-E492 IonicContact NE-OE2 2.89Å; R489-E492 IonicContact NH1-OE1 3.73Å; R489-E492 IonicContact NH1-OE2 2.64Å; R489-E492 PolarHBondContact NH1-OE2 2.92Å; R489-E492 PolarHBondContact O-N 3.37Å; R489-L493 VanDerWaalsContact O-CB 3.31Å; R489-L493 WeakPolarHBondContact O-CB 3.36Å; R489-L493 PolarHBondContact O-N 3.11Å |
| 490 | T | 97.7 | Very high | 97.1 | Very high | 71 Ų | 71 | 100 Ų | 100 | 44% | 0.436 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | 175.1 | -58.2 | 0 | 0 | 0 | 0 | 110.7 | F486 Q487 E488 L493 A494 | F486-T490 WeakPolarHBondContact CE1-OG1 3.4Å; F486-T490 WeakPolarHBondContact O-CB 3.35Å; F486-T490 PolarHBondContact O-N 2.93Å; F486-T490 PolarHBondContact O-OG1 3.24Å; Q487-T490 PolarHBondContact O-N 2.92Å; E488-T490 VanDerWaalsContact C-N 3.34Å; E488-T490 PolarHBondContact O-N 2.98Å; T490-L493 PolarHBondContact O-N 3.31Å; T490-A494 WeakPolarHBondContact O-CB 3.31Å; T490-A494 PolarHBondContact O-N 3.3Å |
| 491 | A | 97.2 | Very high | 97 | Very high | 48 Ų | 48 | 104.1 Ų | 104.1 | 40% | 0.397 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.9 | -44.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q487 E488 R489 L493 A494 H495 | Q487-A491 PolarHBondContact O-N 3.11Å; E488-A491 WeakPolarHBondContact O-CB 3.48Å; E488-A491 PolarHBondContact O-N 2.86Å; R489-A491 VanDerWaalsContact C-N 3.33Å; A491-L493 VanDerWaalsContact C-N 3.33Å; A491-L493 PolarHBondContact O-N 2.83Å; A491-A494 WeakPolarHBondContact O-CB 3.45Å; A491-A494 PolarHBondContact O-N 2.99Å; A491-H495 PolarHBondContact O-CD2 3.06Å; A491-H495 PolarHBondContact O-N 3.48Å |
| 492 | E | 97.1 | Very high | 96.9 | Very high | 97 Ų | 97 | 101.4 Ų | 101.4 | 45% | 0.453 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.4 | -44.7 | 174.1 | -73.9 | 175.7 | -173.6 | 0 | 0 | 112.1 | E488 R489 H495 A496 | E488-E492 WeakPolarHBondContact O-CG 3.41Å; E488-E492 PolarHBondContact O-N 3.3Å; R489-E492 WeakPolarHBondContact CD-OE2 3.35Å; R489-E492 IonicContact CZ-OE2 3.57Å; R489-E492 IonicContact NE-OE2 2.89Å; R489-E492 IonicContact NH1-OE1 3.73Å; R489-E492 IonicContact NH1-OE2 2.64Å; R489-E492 PolarHBondContact NH1-OE2 2.92Å; R489-E492 PolarHBondContact O-N 3.37Å; E492-H495 PolarHBondContact O-N 3.04Å; E492-A496 PolarHBondContact O-N 3.4Å |
| 493 | L | 96.5 | Very high | 96.8 | Very high | 104 Ų | 104 | 101.4 Ų | 101.4 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 176.7 | -168.3 | 154.3 | 0 | 0 | 0 | 110.9 | R489 T490 A491 H495 A496 N497 | R489-L493 VanDerWaalsContact O-CB 3.31Å; R489-L493 WeakPolarHBondContact O-CB 3.36Å; R489-L493 PolarHBondContact O-N 3.11Å; T490-L493 PolarHBondContact O-N 3.31Å; A491-L493 VanDerWaalsContact C-N 3.33Å; A491-L493 PolarHBondContact O-N 2.83Å; L493-H495 VanDerWaalsContact C-N 3.32Å; L493-H495 PolarHBondContact O-N 3.14Å; L493-A496 PolarHBondContact O-N 3.01Å; L493-N497 WeakPolarHBondContact CD2-ND2 3.48Å; L493-N497 WeakPolarHBondContact O-CB 3.43Å; L493-N497 PolarHBondContact O-N 3.4Å |
| 494 | A | 96.4 | Very high | 96.6 | Very high | 35 Ų | 35 | 99.8 Ų | 99.8 | 29% | 0.289 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.3 | -40.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | T490 A491 R498 | T490-A494 WeakPolarHBondContact O-CB 3.31Å; T490-A494 PolarHBondContact O-N 3.3Å; A491-A494 WeakPolarHBondContact O-CB 3.45Å; A491-A494 PolarHBondContact O-N 2.99Å; A494-R498 WeakPolarHBondContact O-CG 3.28Å; A494-R498 PolarHBondContact O-N 3.44Å; A494-R498 VanDerWaalsContact O-N 3.08Å |
| 495 | H | 97 | Very high | 96.5 | Very high | 111 Ų | 111 | 96.4 Ų | 96.4 | 51% | 0.514 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.4 | -41.4 | 173.2 | -76.5 | -71.4 | 0 | 0 | 0 | 112.5 | A491 E492 L493 R498 R499 | A491-H495 PolarHBondContact O-CD2 3.06Å; A491-H495 PolarHBondContact O-N 3.48Å; E492-H495 PolarHBondContact O-N 3.04Å; L493-H495 VanDerWaalsContact C-N 3.32Å; L493-H495 PolarHBondContact O-N 3.14Å; H495-R498 PolarHBondContact CE1-NH1 2.92Å; H495-R498 PolarHBondContact ND1-NH1 2.98Å; H495-R498 PolarHBondContact O-N 3.43Å; H495-R499 PolarHBondContact O-N 2.88Å |
| 496 | A | 96 | Very high | 96.4 | Very high | 32 Ų | 32 | 96 Ų | 96 | 26% | 0.264 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63 | -44.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E492 L493 R498 R499 V500 | E492-A496 PolarHBondContact O-N 3.4Å; L493-A496 PolarHBondContact O-N 3.01Å; A496-R498 PolarHBondContact O-N 3.19Å; A496-R499 WeakPolarHBondContact O-CB 3.47Å; A496-R499 PolarHBondContact O-N 2.86Å; A496-R499 VanDerWaalsContact O-N 3.11Å; A496-V500 WeakPolarHBondContact O-CG2 3.33Å; A496-V500 PolarHBondContact O-N 3.11Å |
| 497 | N | 96.4 | Very high | 96.4 | Very high | 82 Ų | 82 | 91.9 Ų | 91.9 | 44% | 0.439 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.4 | -45.5 | 175.4 | -80.3 | 0.7 | 0 | 0 | 0 | 111.7 | L493 R499 V500 E501 | L493-N497 WeakPolarHBondContact CD2-ND2 3.48Å; L493-N497 WeakPolarHBondContact O-CB 3.43Å; L493-N497 PolarHBondContact O-N 3.4Å; N497-R499 VanDerWaalsContact C-N 3.27Å; N497-R499 PolarHBondContact O-N 2.68Å; N497-V500 PolarHBondContact O-N 3.31Å; N497-V500 VanDerWaalsContact O-N 3.11Å; N497-E501 WeakPolarHBondContact O-CG 3.4Å; N497-E501 PolarHBondContact O-N 3.35Å |
| 498 | R | 97.1 | Very high | 96.4 | Very high | 143 Ų | 143 | 93 Ų | 93 | 54% | 0.54 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.2 | -36.2 | 175.5 | -70.6 | 176.1 | -162.4 | 138.3 | 1.2 | 112.9 | A494 H495 A496 S502 | A494-R498 WeakPolarHBondContact O-CG 3.28Å; A494-R498 PolarHBondContact O-N 3.44Å; A494-R498 VanDerWaalsContact O-N 3.08Å; H495-R498 PolarHBondContact CE1-NH1 2.92Å; H495-R498 PolarHBondContact ND1-NH1 2.98Å; H495-R498 PolarHBondContact O-N 3.43Å; A496-R498 PolarHBondContact O-N 3.19Å; R498-S502 PolarHBondContact O-N 3.34Å |
| 499 | R | 96.8 | Very high | 96.3 | Very high | 163 Ų | 163 | 96.2 Ų | 96.2 | 62% | 0.615 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.8 | -44.5 | 174.4 | -70 | -174.1 | -63.5 | -152.8 | -1.1 | 111.5 | H495 A496 N497 E501 S502 H503 | H495-R499 PolarHBondContact O-N 2.88Å; A496-R499 WeakPolarHBondContact O-CB 3.47Å; A496-R499 PolarHBondContact O-N 2.86Å; A496-R499 VanDerWaalsContact O-N 3.11Å; N497-R499 VanDerWaalsContact C-N 3.27Å; N497-R499 PolarHBondContact O-N 2.68Å; R499-E501 VanDerWaalsContact C-N 3.34Å; R499-S502 WeakPolarHBondContact O-CB 3.45Å; R499-S502 PolarHBondContact O-N 3.03Å; R499-H503 PolarHBondContact O-CD2 2.95Å; R499-H503 PolarHBondContact O-N 2.9Å |
| 500 | V | 95.4 | Very high | 96.2 | Very high | 79 Ų | 79 | 93.9 Ų | 93.9 | 48% | 0.479 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.9 | -46.4 | 175.1 | 174.1 | 0 | 0 | 0 | 0 | 110.3 | A496 N497 S502 H503 D504 | A496-V500 WeakPolarHBondContact O-CG2 3.33Å; A496-V500 PolarHBondContact O-N 3.11Å; N497-V500 PolarHBondContact O-N 3.31Å; N497-V500 VanDerWaalsContact O-N 3.11Å; V500-S502 VanDerWaalsContact C-N 3.29Å; V500-S502 PolarHBondContact O-N 3.42Å; V500-H503 PolarHBondContact O-N 3.29Å; V500-H503 VanDerWaalsContact O-N 3.17Å; V500-D504 WeakPolarHBondContact O-CB 3.44Å; V500-D504 PolarHBondContact O-N 2.93Å |
| 501 | E | 95.4 | Very high | 96.1 | Very high | 123 Ų | 123 | 98.6 Ų | 98.6 | 58% | 0.575 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -57.9 | -39.5 | 175.5 | -72 | 168.2 | -177.8 | 0 | 0 | 112.3 | N497 R499 D504 A505 | N497-E501 WeakPolarHBondContact O-CG 3.4Å; N497-E501 PolarHBondContact O-N 3.35Å; R499-E501 VanDerWaalsContact C-N 3.34Å; E501-D504 PolarHBondContact O-N 3.45Å; E501-A505 WeakPolarHBondContact O-CB 3.31Å; E501-A505 PolarHBondContact O-N 3.24Å |
| 502 | S | 95.4 | Very high | 96 | Very high | 61 Ų | 61 | 102.3 Ų | 102.3 | 43% | 0.427 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.5 | -47.9 | 174.2 | -170.5 | 0 | 0 | 0 | 0 | 112 | R498 R499 V500 D504 A505 E506 | R498-S502 PolarHBondContact O-N 3.34Å; R499-S502 WeakPolarHBondContact O-CB 3.45Å; R499-S502 PolarHBondContact O-N 3.03Å; V500-S502 VanDerWaalsContact C-N 3.29Å; V500-S502 PolarHBondContact O-N 3.42Å; S502-D504 VanDerWaalsContact C-N 3.32Å; S502-D504 PolarHBondContact O-N 2.84Å; S502-A505 WeakPolarHBondContact O-CB 3.49Å; S502-A505 PolarHBondContact O-N 3.43Å; S502-E506 WeakPolarHBondContact O-CG 3.43Å; S502-E506 PolarHBondContact O-N 2.88Å |
| 503 | H | 95.6 | Very high | 95.9 | Very high | 107 Ų | 107 | 102.6 Ų | 102.6 | 50% | 0.495 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -38.7 | 176.2 | -69.1 | -45.4 | 0 | 0 | 0 | 111.7 | R499 V500 A505 E506 V507 | R499-H503 PolarHBondContact O-CD2 2.95Å; R499-H503 PolarHBondContact O-N 2.9Å; V500-H503 PolarHBondContact O-N 3.29Å; V500-H503 VanDerWaalsContact O-N 3.17Å; H503-A505 VanDerWaalsContact C-N 3.3Å; H503-A505 PolarHBondContact O-N 2.86Å; H503-E506 IonicContact ND1-OE2 4Å; H503-E506 PolarHBondContact ND1-OE2 2.95Å; H503-E506 PolarHBondContact O-N 3.22Å; H503-V507 WeakPolarHBondContact O-CB 3.48Å; H503-V507 VanDerWaalsContact O-CG2 3.25Å; H503-V507 WeakPolarHBondContact O-CG2 3.26Å; H503-V507 PolarHBondContact O-N 3.25Å |
| 504 | D | 95.3 | Very high | 95.9 | Very high | 86 Ų | 86 | 101 Ų | 101 | 46% | 0.46 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 173.9 | -82 | -14.3 | 0 | 0 | 0 | 111.6 | V500 E501 S502 K508 | V500-D504 WeakPolarHBondContact O-CB 3.44Å; V500-D504 PolarHBondContact O-N 2.93Å; E501-D504 PolarHBondContact O-N 3.45Å; S502-D504 VanDerWaalsContact C-N 3.32Å; S502-D504 PolarHBondContact O-N 2.84Å; D504-K508 WeakPolarHBondContact O-CB 3.36Å; D504-K508 VanDerWaalsContact O-CG 3.26Å; D504-K508 WeakPolarHBondContact O-CG 3.43Å; D504-K508 PolarHBondContact O-N 2.87Å |
| 505 | A | 95.4 | Very high | 95.8 | Very high | 56 Ų | 56 | 104.4 Ų | 104.4 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E501 S502 H503 K508 K509 | E501-A505 WeakPolarHBondContact O-CB 3.31Å; E501-A505 PolarHBondContact O-N 3.24Å; S502-A505 WeakPolarHBondContact O-CB 3.49Å; S502-A505 PolarHBondContact O-N 3.43Å; H503-A505 VanDerWaalsContact C-N 3.3Å; H503-A505 PolarHBondContact O-N 2.86Å; A505-K508 PolarHBondContact O-N 3.28Å; A505-K509 PolarHBondContact O-N 3.35Å |
| 506 | E | 95.4 | Very high | 95.5 | Very high | 102 Ų | 102 | 104 Ų | 104 | 48% | 0.477 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.5 | -46 | 173.6 | -73.4 | 170.5 | -177 | 0 | 0 | 111.5 | S502 H503 K508 K509 L510 | S502-E506 WeakPolarHBondContact O-CG 3.43Å; S502-E506 PolarHBondContact O-N 2.88Å; H503-E506 IonicContact ND1-OE2 4Å; H503-E506 PolarHBondContact ND1-OE2 2.95Å; H503-E506 PolarHBondContact O-N 3.22Å; E506-K508 VanDerWaalsContact C-N 3.32Å; E506-K508 PolarHBondContact O-N 2.93Å; E506-K509 WeakPolarHBondContact O-CB 3.27Å; E506-K509 PolarHBondContact O-N 3.47Å; E506-K509 VanDerWaalsContact O-N 3.13Å; E506-L510 WeakPolarHBondContact O-CG 3.48Å; E506-L510 PolarHBondContact O-N 3.39Å |
| 507 | V | 96.8 | Very high | 95.4 | Very high | 60 Ų | 60 | 106.4 Ų | 106.4 | 36% | 0.364 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 175.5 | 168.5 | 0 | 0 | 0 | 0 | 110.4 | H503 K509 L510 R511 | H503-V507 WeakPolarHBondContact O-CB 3.48Å; H503-V507 VanDerWaalsContact O-CG2 3.25Å; H503-V507 WeakPolarHBondContact O-CG2 3.26Å; H503-V507 PolarHBondContact O-N 3.25Å; V507-K509 PolarHBondContact O-N 3.38Å; V507-L510 PolarHBondContact O-N 3.38Å; V507-R511 HydrophobicContact CG1-CG 4.4Å; V507-R511 WeakPolarHBondContact O-CB 3.44Å; V507-R511 VanDerWaalsContact O-CG 3.25Å; V507-R511 WeakPolarHBondContact O-CG 3.4Å; V507-R511 PolarHBondContact O-N 2.91Å |
| 508 | K | 96.6 | Very high | 95.3 | Very high | 135 Ų | 135 | 108 Ų | 108 | 59% | 0.587 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.5 | -43.5 | 174 | -75.8 | 170.3 | -175.5 | 172.9 | 0 | 111.8 | D504 A505 E506 R511 L512 | D504-K508 WeakPolarHBondContact O-CB 3.36Å; D504-K508 VanDerWaalsContact O-CG 3.26Å; D504-K508 WeakPolarHBondContact O-CG 3.43Å; D504-K508 PolarHBondContact O-N 2.87Å; A505-K508 PolarHBondContact O-N 3.28Å; E506-K508 VanDerWaalsContact C-N 3.32Å; E506-K508 PolarHBondContact O-N 2.93Å; K508-R511 PolarHBondContact O-N 2.63Å; K508-L512 WeakPolarHBondContact O-CG 3.49Å; K508-L512 PolarHBondContact O-N 2.85Å |
| 509 | K | 96.4 | Very high | 95.1 | Very high | 160 Ų | 160 | 108 Ų | 108 | 70% | 0.696 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63 | -45.6 | 176.7 | -175.4 | -178.2 | 178.4 | -177.1 | 0 | 111.9 | A505 E506 V507 L512 R513 | A505-K509 PolarHBondContact O-N 3.35Å; E506-K509 WeakPolarHBondContact O-CB 3.27Å; E506-K509 PolarHBondContact O-N 3.47Å; E506-K509 VanDerWaalsContact O-N 3.13Å; V507-K509 PolarHBondContact O-N 3.38Å; K509-L512 PolarHBondContact O-N 3.49Å; K509-R513 PolarHBondContact O-N 3.16Å |
| 510 | L | 95.1 | Very high | 94.8 | Very high | 117 Ų | 117 | 103.9 Ų | 103.9 | 61% | 0.613 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.8 | -42.1 | 176.1 | -71.7 | 174.2 | 0 | 0 | 0 | 111.2 | E506 V507 L512 R513 V514 | E506-L510 WeakPolarHBondContact O-CG 3.48Å; E506-L510 PolarHBondContact O-N 3.39Å; V507-L510 PolarHBondContact O-N 3.38Å; L510-L512 PolarHBondContact O-N 2.89Å; L510-R513 PolarHBondContact O-N 2.97Å; L510-V514 VanDerWaalsContact O-CG2 3.31Å; L510-V514 WeakPolarHBondContact O-CG2 3.34Å; L510-V514 PolarHBondContact O-N 3.35Å |
| 511 | R | 95.5 | Very high | 94.6 | Very high | 169 Ų | 169 | 104.9 Ų | 104.9 | 64% | 0.638 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -57.7 | -46.8 | 173.2 | -76.4 | 175.5 | -176 | -179 | 4 | 111.5 | V507 K508 R513 V514 E515 | V507-R511 HydrophobicContact CG1-CG 4.4Å; V507-R511 WeakPolarHBondContact O-CB 3.44Å; V507-R511 VanDerWaalsContact O-CG 3.25Å; V507-R511 WeakPolarHBondContact O-CG 3.4Å; V507-R511 PolarHBondContact O-N 2.91Å; K508-R511 PolarHBondContact O-N 2.63Å; R511-R513 PolarHBondContact O-N 3.45Å; R511-V514 WeakPolarHBondContact O-CB 3.44Å; R511-V514 PolarHBondContact O-N 3.22Å; R511-E515 WeakPolarHBondContact O-CG 3.5Å; R511-E515 PolarHBondContact O-N 2.86Å |
| 512 | L | 94.9 | Very high | 94.4 | Very high | 126 Ų | 126 | 100.1 Ų | 100.1 | 66% | 0.66 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.7 | -42.4 | 176 | -71.8 | 174.1 | 0 | 0 | 0 | 112.3 | K508 K509 L510 V514 E515 E516 | K508-L512 WeakPolarHBondContact O-CG 3.49Å; K508-L512 PolarHBondContact O-N 2.85Å; K509-L512 PolarHBondContact O-N 3.49Å; L510-L512 PolarHBondContact O-N 2.89Å; L512-V514 VanDerWaalsContact C-N 3.32Å; L512-V514 PolarHBondContact O-N 3Å; L512-E515 PolarHBondContact O-N 3.17Å; L512-E516 PolarHBondContact O-N 3.46Å |
| 513 | R | 95 | Very high | 94.1 | Very high | 103 Ų | 103 | 101.8 Ų | 101.8 | 39% | 0.389 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.1 | -36.1 | 176 | -176.5 | 58.8 | -177.2 | 151.8 | 10.4 | 112.1 | K509 L510 R511 E516 L517 E520 | K509-R513 PolarHBondContact O-N 3.16Å; L510-R513 PolarHBondContact O-N 2.97Å; R511-R513 PolarHBondContact O-N 3.45Å; R513-E516 WeakPolarHBondContact CD-OE2 3.24Å; R513-E516 IonicContact CZ-OE2 2.8Å; R513-E516 VanDerWaalsContact NH1-CD 3.29Å; R513-E516 IonicContact NH1-OE2 3.75Å; R513-E516 PolarHBondContact NH1-OE2 2.99Å; R513-E516 PolarHBondContact O-N 2.77Å; R513-L517 HydrophobicContact CG-CD1 4.23Å; R513-L517 HydrophobicContact CG-CG 4.45Å; R513-L517 WeakPolarHBondContact O-CB 3.47Å; R513-L517 VanDerWaalsContact O-CG 3.31Å; R513-L517 WeakPolarHBondContact O-CG 3.15Å; R513-L517 PolarHBondContact O-N 3.45Å; R513-E520 IonicContact CZ-OE1 3.27Å; R513-E520 IonicContact NH1-OE1 2.94Å; R513-E520 PolarHBondContact NH1-OE1 3.01Å; R513-E520 IonicContact NH1-OE2 2.65Å; R513-E520 IonicContact NH2-OE1 3.87Å; R513-E520 IonicContact NH2-OE2 3.77Å |
| 514 | V | 94.8 | Very high | 93.8 | Very high | 72 Ų | 72 | 99.1 Ų | 99.1 | 44% | 0.436 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 172.9 | 167.1 | 0 | 0 | 0 | 0 | 110.6 | L510 R511 L512 E516 L517 K518 | L510-V514 VanDerWaalsContact O-CG2 3.31Å; L510-V514 WeakPolarHBondContact O-CG2 3.34Å; L510-V514 PolarHBondContact O-N 3.35Å; R511-V514 WeakPolarHBondContact O-CB 3.44Å; R511-V514 PolarHBondContact O-N 3.22Å; L512-V514 VanDerWaalsContact C-N 3.32Å; L512-V514 PolarHBondContact O-N 3Å; V514-E516 VanDerWaalsContact C-N 3.33Å; V514-E516 PolarHBondContact O-N 2.92Å; V514-L517 PolarHBondContact O-N 3.2Å; V514-K518 HydrophobicContact CG1-CD 4.41Å; V514-K518 VanDerWaalsContact O-CG 3.31Å; V514-K518 WeakPolarHBondContact O-CG 3.5Å; V514-K518 PolarHBondContact O-N 2.93Å |
| 515 | E | 94.6 | Very high | 93.5 | Very high | 106 Ų | 106 | 100.1 Ų | 100.1 | 50% | 0.495 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.2 | -37.4 | 175.6 | -66.5 | -52.9 | 136.5 | 0 | 0 | 112.5 | R511 L512 K518 K519 | R511-E515 WeakPolarHBondContact O-CG 3.5Å; R511-E515 PolarHBondContact O-N 2.86Å; L512-E515 PolarHBondContact O-N 3.17Å; E515-K518 PolarHBondContact O-N 3.37Å; E515-K518 IonicContact OE1-NZ 2.76Å; E515-K518 PolarHBondContact OE1-NZ 3.49Å; E515-K518 IonicContact OE2-NZ 3.73Å; E515-K519 PolarHBondContact O-N 3Å |
| 516 | E | 92.2 | Very high | 93.3 | Very high | 103 Ų | 103 | 102.7 Ų | 102.7 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.3 | -47.1 | 173.7 | -169.8 | 175.3 | -139.4 | 0 | 0 | 111.9 | L512 R513 V514 K518 K519 E520 | L512-E516 PolarHBondContact O-N 3.46Å; R513-E516 WeakPolarHBondContact CD-OE2 3.24Å; R513-E516 IonicContact CZ-OE2 2.8Å; R513-E516 VanDerWaalsContact NH1-CD 3.29Å; R513-E516 IonicContact NH1-OE2 3.75Å; R513-E516 PolarHBondContact NH1-OE2 2.99Å; R513-E516 PolarHBondContact O-N 2.77Å; V514-E516 VanDerWaalsContact C-N 3.33Å; V514-E516 PolarHBondContact O-N 2.92Å; E516-K518 VanDerWaalsContact C-N 3.3Å; E516-K518 PolarHBondContact O-N 3.41Å; E516-K519 WeakPolarHBondContact O-CA 3.44Å; E516-K519 WeakPolarHBondContact O-CB 3.45Å; E516-K519 PolarHBondContact O-N 2.95Å; E516-E520 WeakPolarHBondContact O-CG 3.34Å; E516-E520 PolarHBondContact O-N 3.47Å |
| 517 | L | 93.4 | Very high | 93.1 | Very high | 82 Ų | 82 | 104.1 Ų | 104.1 | 43% | 0.429 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.8 | -37.2 | 174.7 | -77.1 | 171 | 0 | 0 | 0 | 112.4 | R513 V514 K519 E520 L521 | R513-L517 HydrophobicContact CG-CD1 4.23Å; R513-L517 HydrophobicContact CG-CG 4.45Å; R513-L517 WeakPolarHBondContact O-CB 3.47Å; R513-L517 VanDerWaalsContact O-CG 3.31Å; R513-L517 WeakPolarHBondContact O-CG 3.15Å; R513-L517 PolarHBondContact O-N 3.45Å; V514-L517 PolarHBondContact O-N 3.2Å; L517-K519 VanDerWaalsContact C-N 3.31Å; L517-E520 PolarHBondContact O-N 3.16Å; L517-L521 VanDerWaalsContact O-CB 3.24Å; L517-L521 WeakPolarHBondContact O-CB 3.33Å; L517-L521 PolarHBondContact O-N 3Å |
| 518 | K | 93.8 | Very high | 92.7 | Very high | 114 Ų | 114 | 105.8 Ų | 105.8 | 50% | 0.496 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63 | -39.4 | 172.8 | -76.7 | 173.8 | -177.4 | 172.3 | 0 | 111.6 | V514 E515 E516 L521 G522 | V514-K518 HydrophobicContact CG1-CD 4.41Å; V514-K518 VanDerWaalsContact O-CG 3.31Å; V514-K518 WeakPolarHBondContact O-CG 3.5Å; V514-K518 PolarHBondContact O-N 2.93Å; E515-K518 PolarHBondContact O-N 3.37Å; E515-K518 IonicContact OE1-NZ 2.76Å; E515-K518 PolarHBondContact OE1-NZ 3.49Å; E515-K518 IonicContact OE2-NZ 3.73Å; E516-K518 VanDerWaalsContact C-N 3.3Å; E516-K518 PolarHBondContact O-N 3.41Å; K518-L521 PolarHBondContact O-N 2.93Å; K518-G522 PolarHBondContact O-N 3.07Å |
| 519 | K | 93.3 | Very high | 92.4 | Very high | 144 Ų | 144 | 103.6 Ų | 103.6 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.7 | -45 | 175.9 | -172.5 | -175.8 | 176.5 | -173.4 | 0 | 111.5 | E515 E516 L517 L521 G522 Q523 | E515-K519 PolarHBondContact O-N 3Å; E516-K519 WeakPolarHBondContact O-CA 3.44Å; E516-K519 WeakPolarHBondContact O-CB 3.45Å; E516-K519 PolarHBondContact O-N 2.95Å; L517-K519 VanDerWaalsContact C-N 3.31Å; K519-L521 VanDerWaalsContact C-N 3.32Å; K519-G522 PolarHBondContact O-N 2.83Å; K519-Q523 WeakPolarHBondContact O-CG 3.26Å; K519-Q523 PolarHBondContact O-N 3.22Å |
| 520 | E | 91.3 | Very high | 92.2 | Very high | 77 Ų | 77 | 101.7 Ų | 101.7 | 36% | 0.36 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.4 | -42.2 | 173.6 | -70.3 | 172.1 | -163.6 | 0 | 0 | 111 | R513 E516 L517 Q523 A524 | R513-E520 IonicContact CZ-OE1 3.27Å; R513-E520 IonicContact NH1-OE1 2.94Å; R513-E520 PolarHBondContact NH1-OE1 3.01Å; R513-E520 IonicContact NH1-OE2 2.65Å; R513-E520 IonicContact NH2-OE1 3.87Å; R513-E520 IonicContact NH2-OE2 3.77Å; E516-E520 WeakPolarHBondContact O-CG 3.34Å; E516-E520 PolarHBondContact O-N 3.47Å; L517-E520 PolarHBondContact O-N 3.16Å; E520-Q523 WeakPolarHBondContact O-CB 3.38Å; E520-Q523 PolarHBondContact O-N 2.86Å; E520-A524 PolarHBondContact O-N 3.36Å |
| 521 | L | 90.3 | Very high | 91.7 | Very high | 99 Ų | 99 | 98.8 Ų | 98.8 | 52% | 0.518 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 175.2 | 178.7 | 65 | 0 | 0 | 0 | 111.3 | L517 K518 K519 Q523 A524 E525 | L517-L521 VanDerWaalsContact O-CB 3.24Å; L517-L521 WeakPolarHBondContact O-CB 3.33Å; L517-L521 PolarHBondContact O-N 3Å; K518-L521 PolarHBondContact O-N 2.93Å; K519-L521 VanDerWaalsContact C-N 3.32Å; L521-Q523 VanDerWaalsContact C-N 3.28Å; L521-Q523 PolarHBondContact O-N 3.43Å; L521-A524 PolarHBondContact O-N 3.16Å; L521-A524 VanDerWaalsContact O-N 3.14Å; L521-E525 HydrophobicContact CD1-CG 4.47Å; L521-E525 WeakPolarHBondContact O-CG 3.42Å; L521-E525 PolarHBondContact O-N 3.47Å |
| 522 | G | 90.3 | Very high | 91.4 | Very high | 23 Ų | 23 | 95.2 Ų | 95.2 | 24% | 0.237 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -58.9 | -39.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K518 K519 E525 D526 | K518-G522 PolarHBondContact O-N 3.07Å; K519-G522 PolarHBondContact O-N 2.83Å; G522-E525 PolarHBondContact O-N 3.47Å; G522-D526 VanDerWaalsContact O-CG 3.28Å; G522-D526 PolarHBondContact O-N 2.86Å |
| 523 | Q | 90.7 | Very high | 91 | Very high | 97 Ų | 97 | 92.3 Ų | 92.3 | 45% | 0.453 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 173.7 | -72.8 | 173.7 | -15.2 | 0 | 0 | 112.5 | K519 E520 L521 E525 D526 E527 | K519-Q523 WeakPolarHBondContact O-CG 3.26Å; K519-Q523 PolarHBondContact O-N 3.22Å; E520-Q523 WeakPolarHBondContact O-CB 3.38Å; E520-Q523 PolarHBondContact O-N 2.86Å; L521-Q523 VanDerWaalsContact C-N 3.28Å; L521-Q523 PolarHBondContact O-N 3.43Å; Q523-E525 VanDerWaalsContact C-N 3.33Å; Q523-D526 WeakPolarHBondContact O-CB 3.36Å; Q523-D526 PolarHBondContact O-N 3.45Å; Q523-E527 WeakPolarHBondContact O-CG 3.25Å; Q523-E527 PolarHBondContact O-N 3.37Å |
| 524 | A | 88.8 | Confident | 90.7 | Very high | 50 Ų | 50 | 92.1 Ų | 92.1 | 41% | 0.413 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.9 | -34.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E520 L521 E527 L528 | E520-A524 PolarHBondContact O-N 3.36Å; L521-A524 PolarHBondContact O-N 3.16Å; L521-A524 VanDerWaalsContact O-N 3.14Å; A524-E527 PolarHBondContact O-N 3.11Å; A524-L528 WeakPolarHBondContact O-CB 3.38Å; A524-L528 PolarHBondContact O-N 2.81Å |
| 525 | E | 88.7 | Confident | 90.3 | Very high | 107 Ų | 107 | 92.3 Ų | 92.3 | 50% | 0.5 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 171.3 | -72.9 | 173.3 | 167.8 | 0 | 0 | 110.9 | L521 G522 Q523 E527 L528 D529 | L521-E525 HydrophobicContact CD1-CG 4.47Å; L521-E525 WeakPolarHBondContact O-CG 3.42Å; L521-E525 PolarHBondContact O-N 3.47Å; G522-E525 PolarHBondContact O-N 3.47Å; Q523-E525 VanDerWaalsContact C-N 3.33Å; E525-E527 PolarHBondContact O-N 3.31Å; E525-L528 WeakPolarHBondContact O-CB 3.35Å; E525-L528 PolarHBondContact O-N 2.91Å; E525-D529 PolarHBondContact O-N 3.46Å |
| 526 | D | 91.6 | Very high | 90 | Very high | 111 Ų | 111 | 93.4 Ų | 93.4 | 59% | 0.594 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -60.1 | -43.5 | 174.8 | -70.2 | -29.3 | 0 | 0 | 0 | 111.9 | G522 Q523 D529 E530 | G522-D526 VanDerWaalsContact O-CG 3.28Å; G522-D526 PolarHBondContact O-N 2.86Å; Q523-D526 WeakPolarHBondContact O-CB 3.36Å; Q523-D526 PolarHBondContact O-N 3.45Å; D526-D529 PolarHBondContact O-N 3.03Å; D526-E530 WeakPolarHBondContact O-CB 3.49Å; D526-E530 PolarHBondContact O-N 2.92Å |
| 527 | E | 90.8 | Very high | 89.7 | Confident | 132 Ų | 132 | 95.1 Ų | 95.1 | 62% | 0.617 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.7 | -38.8 | 175.7 | -75.1 | 177.1 | -172 | 0 | 0 | 112.2 | Q523 A524 E525 E530 S531 | Q523-E527 WeakPolarHBondContact O-CG 3.25Å; Q523-E527 PolarHBondContact O-N 3.37Å; A524-E527 PolarHBondContact O-N 3.11Å; E525-E527 PolarHBondContact O-N 3.31Å; E527-E530 PolarHBondContact O-N 3.14Å; E527-S531 WeakPolarHBondContact O-CB 3.41Å; E527-S531 PolarHBondContact O-N 2.94Å |
| 528 | L | 88.4 | Confident | 89.2 | Confident | 94 Ų | 94 | 97 Ų | 97 | 49% | 0.492 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 175.1 | 179.3 | 64.6 | 0 | 0 | 0 | 111.1 | A524 E525 E530 S531 H532 | A524-L528 WeakPolarHBondContact O-CB 3.38Å; A524-L528 PolarHBondContact O-N 2.81Å; E525-L528 WeakPolarHBondContact O-CB 3.35Å; E525-L528 PolarHBondContact O-N 2.91Å; L528-E530 VanDerWaalsContact C-N 3.32Å; L528-S531 WeakPolarHBondContact O-CB 3.41Å; L528-S531 PolarHBondContact O-N 3.47Å; L528-H532 WeakPolarHBondContact O-CB 3.39Å; L528-H532 PolarHBondContact O-N 3.33Å; L528-H532 PolarHBondContact O-ND1 3.05Å |
| 529 | D | 91.6 | Very high | 88.7 | Confident | 90 Ų | 90 | 96 Ų | 96 | 48% | 0.481 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.8 | -37.5 | 174.6 | -84.8 | -15.1 | 0 | 0 | 0 | 111.9 | E525 D526 H532 N533 | E525-D529 PolarHBondContact O-N 3.46Å; D526-D529 PolarHBondContact O-N 3.03Å; D529-H532 PolarHBondContact O-N 2.82Å; D529-N533 VanDerWaalsContact O-CB 3.3Å; D529-N533 WeakPolarHBondContact O-CB 3.49Å; D529-N533 VanDerWaalsContact O-CG 3.27Å; D529-N533 PolarHBondContact O-N 3.33Å; D529-N533 PolarHBondContact O-ND2 2.96Å |
| 530 | E | 90.6 | Very high | 88.2 | Confident | 120 Ų | 120 | 95.3 Ų | 95.3 | 56% | 0.561 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.9 | -45.4 | 172.3 | -169.9 | 167.7 | -154.2 | 0 | 0 | 111.4 | D526 E527 L528 N533 Q534 | D526-E530 WeakPolarHBondContact O-CB 3.49Å; D526-E530 PolarHBondContact O-N 2.92Å; E527-E530 PolarHBondContact O-N 3.14Å; L528-E530 VanDerWaalsContact C-N 3.32Å; E530-N533 CarbonylContact O-C 3.56Å; E530-N533 WeakPolarHBondContact O-CB 3.47Å; E530-N533 PolarHBondContact O-N 3.14Å; E530-Q534 VanDerWaalsContact O-CG 3.3Å; E530-Q534 WeakPolarHBondContact O-CG 3.35Å; E530-Q534 PolarHBondContact O-N 2.89Å |
| 531 | S | 84.6 | Confident | 87.7 | Confident | 56 Ų | 56 | 94.3 Ų | 94.3 | 39% | 0.392 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.1 | -47.8 | 173.5 | -178.2 | 0 | 0 | 0 | 0 | 111.6 | E527 L528 N533 Q534 T535 | E527-S531 WeakPolarHBondContact O-CB 3.41Å; E527-S531 PolarHBondContact O-N 2.94Å; L528-S531 WeakPolarHBondContact O-CB 3.41Å; L528-S531 PolarHBondContact O-N 3.47Å; S531-N533 VanDerWaalsContact C-N 3.28Å; S531-N533 PolarHBondContact O-N 3.07Å; S531-Q534 CarbonylContact O-C 3.58Å; S531-Q534 WeakPolarHBondContact O-CA 3.48Å; S531-Q534 WeakPolarHBondContact O-CB 3.21Å; S531-Q534 PolarHBondContact O-N 3.38Å; S531-T535 PolarHBondContact O-N 3.19Å; S531-T535 PolarHBondContact O-OG1 3.38Å |
| 532 | H | 89.3 | Confident | 87.2 | Confident | 93 Ų | 93 | 94 Ų | 94 | 43% | 0.431 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.1 | -37.1 | 174.1 | -80.2 | 137.9 | 0 | 0 | 0 | 112.5 | L528 D529 T535 R536 | L528-H532 WeakPolarHBondContact O-CB 3.39Å; L528-H532 PolarHBondContact O-N 3.33Å; L528-H532 PolarHBondContact O-ND1 3.05Å; D529-H532 PolarHBondContact O-N 2.82Å; H532-T535 PolarHBondContact O-N 2.78Å; H532-R536 WeakPolarHBondContact O-CB 3.46Å; H532-R536 WeakPolarHBondContact O-CG 3.33Å; H532-R536 PolarHBondContact O-N 3.43Å; H532-R536 PolarHBondContact O-NE 2.87Å |
| 533 | N | 87.9 | Confident | 87 | Confident | 65 Ų | 65 | 97 Ų | 97 | 35% | 0.348 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66 | -40.8 | 173 | -82.6 | -43 | 0 | 0 | 0 | 111.5 | D529 E530 S531 R536 K537 | D529-N533 VanDerWaalsContact O-CB 3.3Å; D529-N533 WeakPolarHBondContact O-CB 3.49Å; D529-N533 VanDerWaalsContact O-CG 3.27Å; D529-N533 PolarHBondContact O-N 3.33Å; D529-N533 PolarHBondContact O-ND2 2.96Å; E530-N533 CarbonylContact O-C 3.56Å; E530-N533 WeakPolarHBondContact O-CB 3.47Å; E530-N533 PolarHBondContact O-N 3.14Å; S531-N533 VanDerWaalsContact C-N 3.28Å; S531-N533 PolarHBondContact O-N 3.07Å; N533-R536 PolarHBondContact O-N 2.95Å; N533-R536 PolarHBondContact OD1-NH1 3.43Å; N533-R536 PolarHBondContact OD1-NH2 3.5Å; N533-K537 WeakPolarHBondContact O-CG 3.33Å; N533-K537 PolarHBondContact O-N 3.27Å |
| 534 | Q | 87.5 | Confident | 86.6 | Confident | 100 Ų | 100 | 97.8 Ų | 97.8 | 47% | 0.467 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 173 | -69 | 172.3 | 21.4 | 0 | 0 | 110.9 | E530 S531 R536 K537 L538 | E530-Q534 VanDerWaalsContact O-CG 3.3Å; E530-Q534 WeakPolarHBondContact O-CG 3.35Å; E530-Q534 PolarHBondContact O-N 2.89Å; S531-Q534 CarbonylContact O-C 3.58Å; S531-Q534 WeakPolarHBondContact O-CA 3.48Å; S531-Q534 WeakPolarHBondContact O-CB 3.21Å; S531-Q534 PolarHBondContact O-N 3.38Å; Q534-R536 VanDerWaalsContact C-N 3.34Å; Q534-R536 PolarHBondContact O-N 2.83Å; Q534-K537 WeakPolarHBondContact O-CB 3.46Å; Q534-K537 PolarHBondContact O-N 2.82Å; Q534-K537 VanDerWaalsContact O-N 3.11Å; Q534-L538 WeakPolarHBondContact O-CB 3.34Å; Q534-L538 WeakPolarHBondContact O-CG 3.47Å; Q534-L538 PolarHBondContact O-N 3.15Å |
| 535 | T | 85.9 | Confident | 86.1 | Confident | 75 Ų | 75 | 100.1 Ų | 100.1 | 46% | 0.46 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.4 | -46.6 | 173.6 | -51 | 0 | 0 | 0 | 0 | 110.7 | S531 H532 K537 L538 Q539 | S531-T535 PolarHBondContact O-N 3.19Å; S531-T535 PolarHBondContact O-OG1 3.38Å; H532-T535 PolarHBondContact O-N 2.78Å; T535-K537 VanDerWaalsContact C-N 3.33Å; T535-K537 PolarHBondContact O-N 3.47Å; T535-L538 PolarHBondContact O-N 3.46Å; T535-Q539 VanDerWaalsContact O-CB 3.3Å; T535-Q539 WeakPolarHBondContact O-CB 3.44Å; T535-Q539 PolarHBondContact O-N 3.36Å |
| 536 | R | 88.8 | Confident | 85.8 | Confident | 130 Ų | 130 | 98.1 Ų | 98.1 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.7 | -37.8 | 175.4 | -78.8 | -177.3 | -82.8 | 160.3 | -11.2 | 112.8 | H532 N533 Q534 R540 | H532-R536 WeakPolarHBondContact O-CB 3.46Å; H532-R536 WeakPolarHBondContact O-CG 3.33Å; H532-R536 PolarHBondContact O-N 3.43Å; H532-R536 PolarHBondContact O-NE 2.87Å; N533-R536 PolarHBondContact O-N 2.95Å; N533-R536 PolarHBondContact OD1-NH1 3.43Å; N533-R536 PolarHBondContact OD1-NH2 3.5Å; Q534-R536 VanDerWaalsContact C-N 3.34Å; Q534-R536 PolarHBondContact O-N 2.83Å; R536-R540 WeakPolarHBondContact O-CG 3.48Å; R536-R540 PolarHBondContact O-N 3.31Å |
| 537 | K | 87.1 | Confident | 85.3 | Confident | 138 Ų | 138 | 98.4 Ų | 98.4 | 60% | 0.6 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.1 | -46 | 174.4 | -75.3 | 174.1 | -178.3 | 175.9 | 0 | 111.9 | N533 Q534 T535 Q539 R540 S541 | N533-K537 WeakPolarHBondContact O-CG 3.33Å; N533-K537 PolarHBondContact O-N 3.27Å; Q534-K537 WeakPolarHBondContact O-CB 3.46Å; Q534-K537 PolarHBondContact O-N 2.82Å; Q534-K537 VanDerWaalsContact O-N 3.11Å; T535-K537 VanDerWaalsContact C-N 3.33Å; T535-K537 PolarHBondContact O-N 3.47Å; K537-Q539 VanDerWaalsContact C-N 3.3Å; K537-Q539 PolarHBondContact O-N 3Å; K537-R540 PolarHBondContact O-N 2.79Å; K537-S541 PolarHBondContact O-N 3.48Å |
| 538 | L | 81.1 | Confident | 84.6 | Confident | 123 Ų | 123 | 97 Ų | 97 | 64% | 0.644 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64 | -37.4 | 176.2 | -71.1 | 172.1 | 0 | 0 | 0 | 111.4 | Q534 T535 S541 L542 | Q534-L538 WeakPolarHBondContact O-CB 3.34Å; Q534-L538 WeakPolarHBondContact O-CG 3.47Å; Q534-L538 PolarHBondContact O-N 3.15Å; T535-L538 PolarHBondContact O-N 3.46Å; L538-S541 WeakPolarHBondContact O-CB 3.42Å; L538-S541 PolarHBondContact O-N 3.32Å; L538-L542 WeakPolarHBondContact O-CB 3.4Å; L538-L542 PolarHBondContact O-N 2.84Å |
| 539 | Q | 83.2 | Confident | 83.8 | Confident | 91 Ų | 91 | 96.1 Ų | 96.1 | 43% | 0.425 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.1 | -46.6 | 175 | -171.1 | 63.3 | 43.1 | 0 | 0 | 111.2 | T535 K537 S541 L542 D543 | T535-Q539 VanDerWaalsContact O-CB 3.3Å; T535-Q539 WeakPolarHBondContact O-CB 3.44Å; T535-Q539 PolarHBondContact O-N 3.36Å; K537-Q539 VanDerWaalsContact C-N 3.3Å; K537-Q539 PolarHBondContact O-N 3Å; Q539-S541 VanDerWaalsContact C-N 3.31Å; Q539-S541 PolarHBondContact O-N 2.92Å; Q539-L542 WeakPolarHBondContact O-CB 3.3Å; Q539-L542 PolarHBondContact O-N 2.92Å; Q539-L542 VanDerWaalsContact O-N 3.15Å; Q539-D543 PolarHBondContact NE2-OD1 3.34Å; Q539-D543 PolarHBondContact O-N 3.22Å |
| 540 | R | 84.3 | Confident | 83.2 | Confident | 130 Ų | 130 | 97.5 Ų | 97.5 | 49% | 0.491 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 173.9 | -70.7 | -174.9 | -135.2 | 99.7 | 2 | 112.3 | R536 K537 L542 D543 E544 | R536-R540 WeakPolarHBondContact O-CG 3.48Å; R536-R540 PolarHBondContact O-N 3.31Å; K537-R540 PolarHBondContact O-N 2.79Å; R540-L542 VanDerWaalsContact C-N 3.33Å; R540-L542 PolarHBondContact O-N 2.84Å; R540-D543 PolarHBondContact O-N 3.13Å; R540-E544 WeakPolarHBondContact O-CB 3.31Å; R540-E544 WeakPolarHBondContact O-CG 3.26Å; R540-E544 PolarHBondContact O-N 2.89Å |
| 541 | S | 81.1 | Confident | 82.5 | Confident | 57 Ų | 57 | 96 Ų | 96 | 40% | 0.399 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 175.2 | -178.5 | 0 | 0 | 0 | 0 | 112.1 | K537 L538 Q539 E544 Q545 | K537-S541 PolarHBondContact O-N 3.48Å; L538-S541 WeakPolarHBondContact O-CB 3.42Å; L538-S541 PolarHBondContact O-N 3.32Å; Q539-S541 VanDerWaalsContact C-N 3.31Å; Q539-S541 PolarHBondContact O-N 2.92Å; S541-E544 PolarHBondContact O-N 3.36Å; S541-Q545 WeakPolarHBondContact O-CG 3.33Å; S541-Q545 PolarHBondContact O-N 3.14Å |
| 542 | L | 79.8 | Confident | 82.1 | Confident | 93 Ų | 93 | 98.2 Ų | 98.2 | 49% | 0.487 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.8 | -46.1 | 175.5 | -177.6 | 65.6 | 0 | 0 | 0 | 111.1 | L538 Q539 R540 E544 Q545 V546 | L538-L542 WeakPolarHBondContact O-CB 3.4Å; L538-L542 PolarHBondContact O-N 2.84Å; Q539-L542 WeakPolarHBondContact O-CB 3.3Å; Q539-L542 PolarHBondContact O-N 2.92Å; Q539-L542 VanDerWaalsContact O-N 3.15Å; R540-L542 VanDerWaalsContact C-N 3.33Å; R540-L542 PolarHBondContact O-N 2.84Å; L542-E544 VanDerWaalsContact C-N 3.33Å; L542-E544 PolarHBondContact O-N 2.94Å; L542-Q545 PolarHBondContact O-N 3.36Å; L542-Q545 VanDerWaalsContact O-N 3.16Å; L542-V546 VanDerWaalsContact O-CG2 3.31Å; L542-V546 WeakPolarHBondContact O-CG2 3.49Å; L542-V546 PolarHBondContact O-N 3.48Å |
| 543 | D | 84.8 | Confident | 81.2 | Confident | 84 Ų | 84 | 99.2 Ų | 99.2 | 45% | 0.449 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 177.6 | -61.4 | -21.2 | 0 | 0 | 0 | 110.8 | Q539 R540 V546 E547 | Q539-D543 PolarHBondContact NE2-OD1 3.34Å; Q539-D543 PolarHBondContact O-N 3.22Å; R540-D543 PolarHBondContact O-N 3.13Å; D543-V546 PolarHBondContact O-N 2.92Å; D543-E547 WeakPolarHBondContact O-CB 3.43Å; D543-E547 PolarHBondContact O-N 2.8Å |
| 544 | E | 83.8 | Confident | 80.6 | Confident | 114 Ų | 114 | 100 Ų | 100 | 53% | 0.533 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 172.8 | -75.5 | 170 | -168.5 | 0 | 0 | 112.5 | R540 S541 L542 E547 Q548 | R540-E544 WeakPolarHBondContact O-CB 3.31Å; R540-E544 WeakPolarHBondContact O-CG 3.26Å; R540-E544 PolarHBondContact O-N 2.89Å; S541-E544 PolarHBondContact O-N 3.36Å; L542-E544 VanDerWaalsContact C-N 3.33Å; L542-E544 PolarHBondContact O-N 2.94Å; E544-E547 PolarHBondContact O-N 3.47Å; E544-Q548 VanDerWaalsContact O-CG 3.3Å; E544-Q548 WeakPolarHBondContact O-CG 3.2Å; E544-Q548 PolarHBondContact O-N 3.4Å |
| 545 | Q | 78.1 | Confident | 79.7 | Confident | 99 Ų | 99 | 100.8 Ų | 100.8 | 46% | 0.463 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.3 | -37.3 | 175.1 | -73.6 | -62.1 | -52.5 | 0 | 0 | 112.3 | S541 L542 Q548 T549 | S541-Q545 WeakPolarHBondContact O-CG 3.33Å; S541-Q545 PolarHBondContact O-N 3.14Å; L542-Q545 PolarHBondContact O-N 3.36Å; L542-Q545 VanDerWaalsContact O-N 3.16Å; Q545-Q548 PolarHBondContact O-N 2.9Å; Q545-T549 WeakPolarHBondContact O-CB 3.33Å; Q545-T549 PolarHBondContact O-N 3.21Å; Q545-T549 PolarHBondContact O-OG1 3.21Å |
| 546 | V | 82.4 | Confident | 78.8 | Confident | 66 Ų | 66 | 102.5 Ų | 102.5 | 40% | 0.4 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.1 | -47.2 | 173.6 | 169.3 | 0 | 0 | 0 | 0 | 109.8 | L542 D543 Q548 T549 E550 | L542-V546 VanDerWaalsContact O-CG2 3.31Å; L542-V546 WeakPolarHBondContact O-CG2 3.49Å; L542-V546 PolarHBondContact O-N 3.48Å; D543-V546 PolarHBondContact O-N 2.92Å; V546-Q548 VanDerWaalsContact C-N 3.31Å; V546-Q548 PolarHBondContact O-N 3.46Å; V546-T549 CarbonylContact O-C 3.59Å; V546-T549 WeakPolarHBondContact O-CA 3.43Å; V546-T549 WeakPolarHBondContact O-CB 3.41Å; V546-T549 PolarHBondContact O-N 2.88Å; V546-E550 HydrophobicContact CG1-CG 4.34Å; V546-E550 WeakPolarHBondContact O-CG 3.33Å; V546-E550 PolarHBondContact O-N 2.99Å |
| 547 | E | 80.4 | Confident | 77.9 | Confident | 117 Ų | 117 | 101.9 Ų | 101.9 | 55% | 0.547 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.6 | -37.6 | 176.6 | -170.1 | 179.9 | -174.1 | 0 | 0 | 112.2 | D543 E544 T549 N551 | D543-E547 WeakPolarHBondContact O-CB 3.43Å; D543-E547 PolarHBondContact O-N 2.8Å; E544-E547 PolarHBondContact O-N 3.47Å; E547-T549 VanDerWaalsContact C-N 3.34Å; E547-N551 WeakPolarHBondContact O-CB 3.43Å; E547-N551 PolarHBondContact O-N 3.07Å; E547-N551 PolarHBondContact O-ND2 3.13Å; E547-N551 VanDerWaalsContact O-ND2 3.11Å |
| 548 | Q | 76.8 | Confident | 77 | Confident | 103 Ų | 103 | 101.5 Ų | 101.5 | 48% | 0.481 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 171.1 | -75.5 | 176.8 | 8.7 | 0 | 0 | 111.9 | E544 Q545 V546 N551 L552 | E544-Q548 VanDerWaalsContact O-CG 3.3Å; E544-Q548 WeakPolarHBondContact O-CG 3.2Å; E544-Q548 PolarHBondContact O-N 3.4Å; Q545-Q548 PolarHBondContact O-N 2.9Å; V546-Q548 VanDerWaalsContact C-N 3.31Å; V546-Q548 PolarHBondContact O-N 3.46Å; Q548-N551 PolarHBondContact O-N 3.29Å; Q548-L552 VanDerWaalsContact O-CG 3.32Å; Q548-L552 WeakPolarHBondContact O-CG 3.48Å; Q548-L552 PolarHBondContact O-N 2.86Å |
| 549 | T | 71.4 | Confident | 76.1 | Confident | 74 Ų | 74 | 99.8 Ų | 99.8 | 45% | 0.454 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67 | -44 | 179.1 | -51.6 | 0 | 0 | 0 | 0 | 110.9 | Q545 V546 E547 N551 L552 Q553 | Q545-T549 WeakPolarHBondContact O-CB 3.33Å; Q545-T549 PolarHBondContact O-N 3.21Å; Q545-T549 PolarHBondContact O-OG1 3.21Å; V546-T549 CarbonylContact O-C 3.59Å; V546-T549 WeakPolarHBondContact O-CA 3.43Å; V546-T549 WeakPolarHBondContact O-CB 3.41Å; V546-T549 PolarHBondContact O-N 2.88Å; E547-T549 VanDerWaalsContact C-N 3.34Å; T549-N551 PolarHBondContact O-N 3.5Å; T549-L552 PolarHBondContact O-N 3.41Å; T549-Q553 WeakPolarHBondContact O-CB 3.47Å; T549-Q553 PolarHBondContact O-N 2.82Å |
| 550 | E | 79.1 | Confident | 75 | Confident | 120 Ų | 120 | 101.8 Ų | 101.8 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.4 | -42.3 | 174.8 | -71.6 | 179.5 | 168.7 | 0 | 0 | 111.5 | V546 L552 Q553 V554 | V546-E550 HydrophobicContact CG1-CG 4.34Å; V546-E550 WeakPolarHBondContact O-CG 3.33Å; V546-E550 PolarHBondContact O-N 2.99Å; E550-L552 PolarHBondContact O-N 2.98Å; E550-Q553 VanDerWaalsContact O-CB 3.27Å; E550-Q553 WeakPolarHBondContact O-CB 3.24Å; E550-Q553 PolarHBondContact O-N 2.89Å; E550-Q553 VanDerWaalsContact O-N 3.17Å; E550-V554 WeakPolarHBondContact O-CG2 3.42Å; E550-V554 PolarHBondContact O-N 3.3Å |
| 551 | N | 75.9 | Confident | 73.9 | Confident | 89 Ų | 89 | 99.5 Ų | 99.5 | 48% | 0.476 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 173.8 | -88 | -50.2 | 0 | 0 | 0 | 112.8 | E547 Q548 T549 Q553 V554 Q555 | E547-N551 WeakPolarHBondContact O-CB 3.43Å; E547-N551 PolarHBondContact O-N 3.07Å; E547-N551 PolarHBondContact O-ND2 3.13Å; E547-N551 VanDerWaalsContact O-ND2 3.11Å; Q548-N551 PolarHBondContact O-N 3.29Å; T549-N551 PolarHBondContact O-N 3.5Å; N551-Q553 VanDerWaalsContact C-N 3.32Å; N551-V554 PolarHBondContact O-N 3.36Å; N551-Q555 WeakPolarHBondContact O-CG 3.36Å; N551-Q555 PolarHBondContact O-N 2.8Å |
| 552 | L | 76.1 | Confident | 72.8 | Confident | 101 Ų | 101 | 105.2 Ų | 105.2 | 53% | 0.529 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.4 | -35.4 | 174 | -72.1 | 169.1 | 0 | 0 | 0 | 111.8 | Q548 T549 E550 Q555 L556 | Q548-L552 VanDerWaalsContact O-CG 3.32Å; Q548-L552 WeakPolarHBondContact O-CG 3.48Å; Q548-L552 PolarHBondContact O-N 2.86Å; T549-L552 PolarHBondContact O-N 3.41Å; E550-L552 PolarHBondContact O-N 2.98Å; L552-Q555 WeakPolarHBondContact O-CB 3.48Å; L552-Q555 PolarHBondContact O-N 3.46Å; L552-L556 PolarHBondContact O-N 3.37Å |
| 553 | Q | 70.4 | Confident | 71.8 | Confident | 114 Ų | 114 | 105.9 Ų | 105.9 | 53% | 0.533 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 174.4 | -156.7 | 105.2 | 2.2 | 0 | 0 | 110.9 | T549 E550 N551 Q555 L556 E557 | T549-Q553 WeakPolarHBondContact O-CB 3.47Å; T549-Q553 PolarHBondContact O-N 2.82Å; E550-Q553 VanDerWaalsContact O-CB 3.27Å; E550-Q553 WeakPolarHBondContact O-CB 3.24Å; E550-Q553 PolarHBondContact O-N 2.89Å; E550-Q553 VanDerWaalsContact O-N 3.17Å; N551-Q553 VanDerWaalsContact C-N 3.32Å; Q553-Q555 VanDerWaalsContact C-N 3.32Å; Q553-Q555 PolarHBondContact O-N 2.86Å; Q553-L556 WeakPolarHBondContact O-CB 3.45Å; Q553-L556 PolarHBondContact O-N 3.36Å; Q553-L556 VanDerWaalsContact O-N 3.17Å; Q553-E557 PolarHBondContact O-N 2.69Å |
| 554 | V | 75.1 | Confident | 70.6 | Confident | 82 Ų | 82 | 106 Ų | 106 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 175.2 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | E550 N551 L556 E557 H558 | E550-V554 WeakPolarHBondContact O-CG2 3.42Å; E550-V554 PolarHBondContact O-N 3.3Å; N551-V554 PolarHBondContact O-N 3.36Å; V554-L556 VanDerWaalsContact C-N 3.34Å; V554-E557 PolarHBondContact O-N 3.44Å; V554-H558 PolarHBondContact O-N 3.42Å |
| 555 | Q | 68.6 | Low | 69.2 | Low | 117 Ų | 117 | 108.9 Ų | 108.9 | 55% | 0.547 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.3 | -38.8 | 174.5 | -71.4 | 177.9 | 25.4 | 0 | 0 | 112.2 | N551 L552 Q553 H558 L559 | N551-Q555 WeakPolarHBondContact O-CG 3.36Å; N551-Q555 PolarHBondContact O-N 2.8Å; L552-Q555 WeakPolarHBondContact O-CB 3.48Å; L552-Q555 PolarHBondContact O-N 3.46Å; Q553-Q555 VanDerWaalsContact C-N 3.32Å; Q553-Q555 PolarHBondContact O-N 2.86Å; Q555-H558 WeakPolarHBondContact O-CB 3.38Å; Q555-H558 PolarHBondContact O-N 2.94Å; Q555-L559 WeakPolarHBondContact O-CG 3.47Å; Q555-L559 PolarHBondContact O-N 3.08Å |
| 556 | L | 67.7 | Low | 68.2 | Low | 111 Ų | 111 | 114.9 Ų | 114.9 | 58% | 0.581 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.1 | -43.7 | 173.8 | -80.1 | 170.2 | 0 | 0 | 0 | 111.6 | L552 Q553 V554 H558 L559 Q560 | L552-L556 PolarHBondContact O-N 3.37Å; Q553-L556 WeakPolarHBondContact O-CB 3.45Å; Q553-L556 PolarHBondContact O-N 3.36Å; Q553-L556 VanDerWaalsContact O-N 3.17Å; V554-L556 VanDerWaalsContact C-N 3.34Å; L556-H558 VanDerWaalsContact C-N 3.29Å; L556-H558 PolarHBondContact O-N 2.81Å; L556-L559 PolarHBondContact O-N 3.47Å; L556-Q560 VanDerWaalsContact O-CB 3.32Å; L556-Q560 WeakPolarHBondContact O-CB 3.5Å; L556-Q560 PolarHBondContact O-N 2.94Å |
| 557 | E | 68.6 | Low | 67 | Low | 117 Ų | 117 | 119.3 Ų | 119.3 | 55% | 0.547 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.6 | -37 | 174.9 | -73.9 | -176.6 | 169.5 | 0 | 0 | 112.2 | Q553 V554 Q560 S561 | Q553-E557 PolarHBondContact O-N 2.69Å; V554-E557 PolarHBondContact O-N 3.44Å; E557-Q560 PolarHBondContact O-N 2.83Å; E557-S561 WeakPolarHBondContact O-CB 3.4Å; E557-S561 PolarHBondContact O-N 2.84Å; E557-S561 PolarHBondContact O-OG 3.14Å |
| 558 | H | 68.3 | Low | 65.8 | Low | 130 Ų | 130 | 123.4 Ų | 123.4 | 60% | 0.602 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.2 | -40.9 | 174 | -120.3 | 72.6 | 0 | 0 | 0 | 112.4 | V554 Q555 L556 R562 | V554-H558 PolarHBondContact O-N 3.42Å; Q555-H558 WeakPolarHBondContact O-CB 3.38Å; Q555-H558 PolarHBondContact O-N 2.94Å; L556-H558 VanDerWaalsContact C-N 3.29Å; L556-H558 PolarHBondContact O-N 2.81Å; H558-R562 VanDerWaalsContact O-CG 3.31Å; H558-R562 WeakPolarHBondContact O-CG 3.42Å; H558-R562 PolarHBondContact O-N 3.39Å; H558-R562 VanDerWaalsContact O-N 3.1Å |
| 559 | L | 63.1 | Low | 64.6 | Low | 87 Ų | 87 | 125.2 Ų | 125.2 | 46% | 0.455 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -70.1 | -37.5 | 175.9 | -71.6 | 172.4 | 0 | 0 | 0 | 111.9 | Q555 L556 R562 I563 | Q555-L559 WeakPolarHBondContact O-CG 3.47Å; Q555-L559 PolarHBondContact O-N 3.08Å; L556-L559 PolarHBondContact O-N 3.47Å; L559-R562 PolarHBondContact O-N 3.37Å; L559-I563 WeakPolarHBondContact O-CG1 3.45Å; L559-I563 PolarHBondContact O-N 3.4Å |
| 560 | Q | 59.9 | Low | 63.6 | Low | 132 Ų | 132 | 130.9 Ų | 130.9 | 62% | 0.617 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.2 | -40.9 | 176.5 | -154.6 | 170.3 | 7.1 | 0 | 0 | 110.7 | L556 E557 R562 I563 V564 | L556-Q560 VanDerWaalsContact O-CB 3.32Å; L556-Q560 WeakPolarHBondContact O-CB 3.5Å; L556-Q560 PolarHBondContact O-N 2.94Å; E557-Q560 PolarHBondContact O-N 2.83Å; Q560-R562 VanDerWaalsContact C-N 3.31Å; Q560-R562 PolarHBondContact O-N 2.93Å; Q560-I563 PolarHBondContact O-N 3.17Å; Q560-V564 VanDerWaalsContact O-CG2 3.31Å; Q560-V564 WeakPolarHBondContact O-CG2 3.42Å; Q560-V564 PolarHBondContact O-N 2.98Å |
| 561 | S | 60.2 | Low | 62.2 | Low | 83 Ų | 83 | 128.8 Ų | 128.8 | 58% | 0.58 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -62.2 | -36.2 | 172.4 | -60.7 | 0 | 0 | 0 | 0 | 112.5 | E557 F565 | E557-S561 WeakPolarHBondContact O-CB 3.4Å; E557-S561 PolarHBondContact O-N 2.84Å; E557-S561 PolarHBondContact O-OG 3.14Å; S561-F565 PolarHBondContact O-N 3.36Å |
| 562 | R | 58.3 | Low | 60.9 | Low | 176 Ų | 176 | 130 Ų | 130 | 66% | 0.664 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72.1 | -31.2 | 176 | -74.2 | 173.3 | 68.9 | 177 | 2.5 | 113.6 | H558 L559 Q560 | H558-R562 VanDerWaalsContact O-CG 3.31Å; H558-R562 WeakPolarHBondContact O-CG 3.42Å; H558-R562 PolarHBondContact O-N 3.39Å; H558-R562 VanDerWaalsContact O-N 3.1Å; L559-R562 PolarHBondContact O-N 3.37Å; Q560-R562 VanDerWaalsContact C-N 3.31Å; Q560-R562 PolarHBondContact O-N 2.93Å |
| 563 | I | 59.6 | Low | 59.1 | Low | 107 Ų | 107 | 133.8 Ų | 133.8 | 55% | 0.549 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -76.8 | -38.8 | 177.5 | -69.3 | 167.1 | 0 | 0 | 0 | 110.7 | L559 Q560 F565 R566 M567 | L559-I563 WeakPolarHBondContact O-CG1 3.45Å; L559-I563 PolarHBondContact O-N 3.4Å; Q560-I563 PolarHBondContact O-N 3.17Å; I563-F565 VanDerWaalsContact C-N 3.35Å; I563-F565 PolarHBondContact O-N 3.23Å; I563-R566 PolarHBondContact O-N 2.88Å; I563-R566 VanDerWaalsContact O-N 3.12Å; I563-M567 PolarHBondContact O-N 2.96Å |
| 564 | V | 58.8 | Low | 57.9 | Low | 86 Ų | 86 | 135.4 Ų | 135.4 | 52% | 0.521 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -65.5 | -35.9 | 177.4 | 173.3 | 0 | 0 | 0 | 0 | 111.9 | Q560 R566 | Q560-V564 VanDerWaalsContact O-CG2 3.31Å; Q560-V564 WeakPolarHBondContact O-CG2 3.42Å; Q560-V564 PolarHBondContact O-N 2.98Å; V564-R566 VanDerWaalsContact C-N 3.28Å; V564-R566 PolarHBondContact O-N 3.46Å |
| 565 | F | 55.6 | Low | 56.5 | Low | 175 Ų | 175 | 144.5 Ų | 144.5 | 77% | 0.768 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -68.2 | -26.8 | 174.1 | -153.8 | -93.2 | 0 | 0 | 0 | 112.9 | S561 I563 | S561-F565 PolarHBondContact O-N 3.36Å; I563-F565 VanDerWaalsContact C-N 3.35Å; I563-F565 PolarHBondContact O-N 3.23Å |
| 566 | R | 56.4 | Low | 55.9 | Low | 225 Ų | 225 | 145.9 Ų | 145.9 | 85% | 0.849 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -81.9 | -23.8 | -177 | -150.8 | 176.3 | -160.9 | -179.6 | 4.3 | 113.5 | I563 V564 | I563-R566 PolarHBondContact O-N 2.88Å; I563-R566 VanDerWaalsContact O-N 3.12Å; V564-R566 VanDerWaalsContact C-N 3.28Å; V564-R566 PolarHBondContact O-N 3.46Å |
| 567 | M | 56.8 | Low | 55.3 | Low | 159 Ų | 159 | 147.7 Ų | 147.7 | 78% | 0.783 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -9.6 | -179.2 | -83.4 | 172.2 | 63.1 | 0 | 0 | 114.7 | I563 | I563-M567 PolarHBondContact O-N 2.96Š|
| 568 | Y | 55.1 | Low | 54.6 | Low | 203 Ų | 203 | 149.4 Ų | 149.4 | 80% | 0.796 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -5.5 | -171.4 | -104.3 | -87.3 | 0 | 0 | 0 | 116.8 | ||
| 569 | M | 51.9 | Low | 53.8 | Low | 142 Ų | 142 | 150.5 Ų | 150.5 | 70% | 0.7 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -111.2 | -8.8 | -163.9 | -82.3 | -63.4 | -67.2 | 0 | 0 | 119.7 | ||
| 570 | H | 49.5 | Very low | 53.2 | Low | 193 Ų | 193 | 154.5 Ų | 154.5 | 89% | 0.894 | 76% | 0.756 | S | S | * | * | trans | -143.5 | 70.4 | -176.5 | -97.4 | 59.3 | 0 | 0 | 0 | 114.9 | ||||
| 571 | G | 51.1 | Low | 52.7 | Low | 75 Ų | 75 | 156 Ų | 156 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | -124.4 | 90.3 | 152.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 572 | S | 47 | Very low | 52.2 | Low | 115 Ų | 115 | 161.2 Ų | 161.2 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -171.7 | 116.3 | 161 | -76.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 573 | E | 39.9 | Very low | 51.7 | Low | 181 Ų | 181 | 160.1 Ų | 160.1 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | 85.7 | 116.1 | 156.1 | -57.9 | -170 | 164.9 | 0 | 0 | 121.9 | ||||
| 574 | L | 45 | Very low | 51.1 | Low | 148 Ų | 148 | 164.5 Ų | 164.5 | 78% | 0.775 | 81% | 0.808 | S | S | * | * | trans | 38 | 134.7 | 145.2 | -82.2 | 115.8 | 0 | 0 | 0 | 122.4 | ||||
| 575 | K | 45.7 | Very low | 50.4 | Low | 272 Ų | 272 | 171.6 Ų | 171.6 | 100% | 1.183 | 83% | 0.834 | S | S | * | * | trans | 66.1 | 0 | 148 | -87 | 179.6 | 175.8 | 176.3 | 0 | 118.6 |
Retrieved 575 of 575 residues in 736.1 ms
(Link to these results)