| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.6 | Very low | 38.2 | Very low | 231 Ų | 231 | 152.2 Ų | 152.2 | 100% | 1.138 | 80% | 0.804 | S | S | * | * | 0 | 83.5 | 0 | -58.5 | 172.5 | -171.1 | 0 | 0 | 106.2 | |||||
| 2 | S | 46.9 | Very low | 38.4 | Very low | 107 Ų | 107 | 149.9 Ų | 149.9 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | cis | 63.7 | 97.6 | 27 | -33.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 3 | F | 36.8 | Very low | 38 | Very low | 213 Ų | 213 | 145.7 Ų | 145.7 | 93% | 0.934 | 79% | 0.794 | S | S | * | * | trans | -152.9 | 127.3 | 132.5 | -107.9 | -69.6 | 0 | 0 | 0 | 109.5 | ||||
| 4 | T | 41 | Very low | 38 | Very low | 116 Ų | 116 | 143.1 Ų | 143.1 | 71% | 0.712 | 79% | 0.792 | S | S | * | * | trans | -93.4 | 150.9 | 172.5 | 41.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 5 | V | 41.6 | Very low | 37.9 | Very low | 149 Ų | 149 | 147.9 Ų | 147.9 | 90% | 0.903 | 80% | 0.795 | S | S | * | * | trans | -136.9 | 103.4 | 155.8 | -178.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 6 | D | 35.9 | Very low | 37.8 | Very low | 115 Ų | 115 | 153.4 Ų | 153.4 | 62% | 0.615 | 80% | 0.801 | S | S | * | * | trans | -93.9 | 141.3 | 167.5 | -93.8 | -71.5 | 0 | 0 | 0 | 110 | ||||
| 7 | H | 33.3 | Very low | 37.6 | Very low | 174 Ų | 174 | 157.1 Ų | 157.1 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | trans | 151.9 | 107.3 | 143.6 | -94.2 | -93.2 | 0 | 0 | 0 | 108.6 | ||||
| 8 | H | 35.1 | Very low | 37.6 | Very low | 144 Ų | 144 | 153.5 Ų | 153.5 | 67% | 0.667 | 81% | 0.807 | S | S | * | * | 94.4 | 146.5 | 57.2 | -89.4 | 73.6 | 0 | 0 | 0 | 113.8 | |||||
| 9 | F | 32.1 | Very low | 37.7 | Very low | 184 Ų | 184 | 157.7 Ų | 157.7 | 81% | 0.807 | 81% | 0.811 | S | S | * | * | trans | 75.7 | 86 | 162.5 | -104.3 | -95.8 | 0 | 0 | 0 | 119.9 | ||||
| 10 | M | 38.2 | Very low | 37.8 | Very low | 180 Ų | 180 | 156.5 Ų | 156.5 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | -153.5 | 143 | 115.4 | -104.4 | -60 | 141 | 0 | 0 | 110.1 | |||||
| 11 | G | 36.3 | Very low | 37.7 | Very low | 61 Ų | 61 | 153.2 Ų | 153.2 | 63% | 0.629 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 156.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115 | S13 | G11-S13 PolarHBondContact O-N 2.68Š|
| 12 | P | 40.4 | Very low | 37.4 | Very low | 125 Ų | 125 | 148 Ų | 148 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 116.2 | -179.6 | 29.6 | -34 | 0 | 0 | 0 | 112.6 | S14 | P12-S14 PolarHBondContact O-N 3.12Š|
| 13 | S | 34.1 | Very low | 37 | Very low | 95 Ų | 95 | 149.3 Ų | 149.3 | 66% | 0.664 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 119.7 | 173.9 | -173.5 | 0 | 0 | 0 | 0 | 111.4 | G11 Y15 | G11-S13 PolarHBondContact O-N 2.68Å; S13-Y15 PolarHBondContact O-N 2.95Å |
| 14 | S | 37.1 | Very low | 36.9 | Very low | 109 Ų | 109 | 145 Ų | 145 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -90.2 | 99.2 | -175.9 | -64.3 | 0 | 0 | 0 | 0 | 112.4 | P12 R16 | P12-S14 PolarHBondContact O-N 3.12Å; S14-R16 PolarHBondContact O-N 2.85Å | ||
| 15 | Y | 37.9 | Very low | 36.6 | Very low | 215 Ų | 215 | 145.1 Ų | 145.1 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -80.7 | 103.6 | 173.1 | -82.6 | -80.3 | 0 | 0 | 0 | 112.1 | S13 | S13-Y15 PolarHBondContact O-N 2.95Š| ||
| 16 | R | 35 | Very low | 36.4 | Very low | 237 Ų | 237 | 143 Ų | 143 | 89% | 0.894 | 79% | 0.792 | S | S | * | * | trans | -68.8 | 150.5 | 167.7 | -50.6 | -176.4 | -166.4 | -149.6 | 5.1 | 110.2 | S14 | S14-R16 PolarHBondContact O-N 2.85Š| ||
| 17 | K | 35.7 | Very low | 36.4 | Very low | 215 Ų | 215 | 141.3 Ų | 141.3 | 94% | 0.935 | 80% | 0.803 | S | S | * | * | trans | -116.5 | 130.6 | 154 | -145.6 | 165 | -172.8 | 175.2 | 0 | 108.4 | ||||
| 18 | A | 36.6 | Very low | 36.5 | Very low | 93 Ų | 93 | 142.2 Ų | 142.2 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 149.7 | -162.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 19 | R | 38.9 | Very low | 36.5 | Very low | 234 Ų | 234 | 144.6 Ų | 144.6 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 145.9 | 158.3 | -72.2 | -179.9 | 170.1 | -172.3 | -4.3 | 109.5 | ||
| 20 | P | 40.3 | Very low | 36.7 | Very low | 133 Ų | 133 | 140 Ų | 140 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 136.3 | 163.4 | 30 | -33.6 | 0 | 0 | 0 | 109.6 | ||
| 21 | A | 35.4 | Very low | 36.7 | Very low | 88 Ų | 88 | 139 Ų | 139 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 122.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | V23 | A21-V23 PolarHBondContact O-N 3.48Å; A21-V23 VanDerWaalsContact O-N 3.1Å |
| 22 | S | 37.2 | Very low | 36.7 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -77.9 | 88.6 | 170 | 49.6 | 0 | 0 | 0 | 0 | 109.7 | S24 | S22-S24 PolarHBondContact O-N 2.97Š| ||
| 23 | V | 38.2 | Very low | 36.5 | Very low | 133 Ų | 133 | 150 Ų | 150 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -71 | 120.1 | 174.6 | -92.1 | 0 | 0 | 0 | 0 | 111.3 | A21 S25 | A21-V23 PolarHBondContact O-N 3.48Å; A21-V23 VanDerWaalsContact O-N 3.1Å; V23-S25 PolarHBondContact O-N 3.49Å |
| 24 | S | 34 | Very low | 36.7 | Very low | 123 Ų | 123 | 157 Ų | 157 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 124.8 | 163.5 | -53.1 | 0 | 0 | 0 | 0 | 109.7 | S22 | S22-S24 PolarHBondContact O-N 2.97Š|
| 25 | S | 35.5 | Very low | 36.5 | Very low | 118 Ų | 118 | 163 Ų | 163 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 144.9 | 170.7 | 54.3 | 0 | 0 | 0 | 0 | 110.8 | V23 | V23-S25 PolarHBondContact O-N 3.49Š|
| 26 | S | 38.1 | Very low | 36.2 | Very low | 104 Ų | 104 | 161 Ų | 161 | 73% | 0.727 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 141.4 | -172.9 | 52.4 | 0 | 0 | 0 | 0 | 112.8 | ||
| 27 | G | 35.7 | Very low | 36.1 | Very low | 81 Ų | 81 | 155.3 Ų | 155.3 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -61 | 139.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 28 | F | 35.5 | Very low | 36 | Very low | 193 Ų | 193 | 154.7 Ų | 154.7 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 126.2 | 177.1 | -133.6 | -91.4 | 0 | 0 | 0 | 110.5 | ||
| 29 | H | 34.3 | Very low | 35.9 | Very low | 193 Ų | 193 | 154.9 Ų | 154.9 | 89% | 0.894 | 81% | 0.814 | S | S | * | * | trans | -120.5 | 85.4 | -168.3 | -152 | 98.9 | 0 | 0 | 0 | 111.2 | ||||
| 30 | S | 37.1 | Very low | 35.9 | Very low | 87 Ų | 87 | 151.9 Ų | 151.9 | 61% | 0.608 | 81% | 0.81 | S | S | * | * | trans | -158.2 | 109.1 | 172 | 62.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 31 | Q | 36.7 | Very low | 35.9 | Very low | 161 Ų | 161 | 151 Ų | 151 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | 98.3 | 121 | 85.5 | -82.9 | -84.6 | -9.9 | 0 | 0 | 113.7 | |||||
| 32 | Q | 37.2 | Very low | 35.9 | Very low | 160 Ų | 160 | 152 Ų | 152 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | 49.4 | 85.5 | 142.3 | -102.2 | 60 | -23.1 | 0 | 0 | 119.5 | ||||
| 33 | R | 36 | Very low | 35.7 | Very low | 255 Ų | 255 | 152.1 Ų | 152.1 | 96% | 0.962 | 81% | 0.807 | S | S | * | * | trans | -129.7 | 127 | 132 | -77.7 | -155.6 | 174.3 | -127.6 | -3.6 | 112.8 | ||||
| 34 | R | 37.4 | Very low | 35.9 | Very low | 243 Ų | 243 | 153.1 Ų | 153.1 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | trans | -52.7 | 137.8 | -167.3 | -56.8 | 172.1 | -178.4 | 177.9 | -1.9 | 113.5 | L36 | R34-L36 PolarHBondContact O-N 3.05Š| ||
| 35 | R | 33.2 | Very low | 36.1 | Very low | 234 Ų | 234 | 155.2 Ų | 155.2 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -59.3 | 130.7 | 152.6 | -71.6 | -177.2 | 174.7 | -170.5 | -1.4 | 108.2 | T37 | R35-T37 PolarHBondContact O-N 3.19Š| ||
| 36 | L | 33.2 | Very low | 36.2 | Very low | 173 Ų | 173 | 155.9 Ų | 155.9 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | trans | -90.7 | 89.8 | 171.6 | -170.7 | 67.1 | 0 | 0 | 0 | 109 | R34 Y38 | R34-L36 PolarHBondContact O-N 3.05Å; L36-Y38 PolarHBondContact O-N 3.07Å | ||
| 37 | T | 32.3 | Very low | 36.2 | Very low | 118 Ų | 118 | 157.5 Ų | 157.5 | 72% | 0.724 | 81% | 0.806 | S | S | * | * | trans | -70 | 110.1 | 172.6 | 47.2 | 0 | 0 | 0 | 0 | 109.4 | R35 S39 | R35-T37 PolarHBondContact O-N 3.19Å; T37-S39 PolarHBondContact O-N 3.39Å; T37-S39 VanDerWaalsContact O-N 3.14Å | ||
| 38 | Y | 32.3 | Very low | 36.4 | Very low | 203 Ų | 203 | 160.9 Ų | 160.9 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | trans | -67.9 | 109 | 175.9 | -170.5 | -88.4 | 0 | 0 | 0 | 109.6 | L36 | L36-Y38 PolarHBondContact O-N 3.07Š| ||
| 39 | S | 35.8 | Very low | 36.8 | Very low | 96 Ų | 96 | 157.5 Ų | 157.5 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | trans | -80 | 135.9 | -174.8 | 51.2 | 0 | 0 | 0 | 0 | 112.4 | T37 | T37-S39 PolarHBondContact O-N 3.39Å; T37-S39 VanDerWaalsContact O-N 3.14Å | ||
| 40 | Q | 38.4 | Very low | 37 | Very low | 172 Ų | 172 | 157.5 Ų | 157.5 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -55.7 | 132.6 | 165.5 | -67.8 | -75.4 | 0.6 | 0 | 0 | 111.1 | ||||
| 41 | P | 39.5 | Very low | 37.5 | Very low | 113 Ų | 113 | 159.8 Ų | 159.8 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -86.3 | 103.1 | 158.8 | 32.1 | -27.6 | 0 | 0 | 0 | 109.4 | ||||
| 42 | S | 35.8 | Very low | 38.2 | Very low | 109 Ų | 109 | 154.9 Ų | 154.9 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | -84.2 | 120.5 | 169.7 | 51.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 43 | S | 33.5 | Very low | 38.9 | Very low | 126 Ų | 126 | 153.2 Ų | 153.2 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | trans | -160.7 | 107.6 | 155.4 | -78.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 44 | I | 42.1 | Very low | 39.6 | Very low | 153 Ų | 153 | 146.6 Ų | 146.6 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -96.1 | 152.9 | 162.7 | -82.5 | 176.3 | 0 | 0 | 0 | 107.1 | ||||
| 45 | E | 38.4 | Very low | 40.6 | Very low | 167 Ų | 167 | 139.5 Ų | 139.5 | 78% | 0.78 | 75% | 0.753 | S | S | * | * | trans | 61.5 | 109.5 | 169.7 | -74.9 | 163.6 | 134.6 | 0 | 0 | 118.5 | ||||
| 46 | S | 37.1 | Very low | 42 | Very low | 132 Ų | 132 | 137.7 Ų | 137.7 | 92% | 0.923 | 75% | 0.746 | S | S | * | * | trans | -134.7 | 136.6 | 132.4 | -75 | 0 | 0 | 0 | 0 | 108 | ||||
| 47 | L | 39.7 | Very low | 43.5 | Very low | 138 Ų | 138 | 137.1 Ų | 137.1 | 72% | 0.723 | 73% | 0.732 | S | S | * | * | trans | -101.5 | 133.9 | -155.5 | -172.1 | 68.2 | 0 | 0 | 0 | 112.4 | ||||
| 48 | E | 39.8 | Very low | 45.1 | Very low | 152 Ų | 152 | 134 Ų | 134 | 71% | 0.71 | 72% | 0.715 | S | S | * | * | trans | 60.9 | 138.9 | 153.2 | -73.6 | 171.2 | 162.8 | 0 | 0 | 122.9 | ||||
| 49 | T | 43.6 | Very low | 47.2 | Very low | 123 Ų | 123 | 130 Ų | 130 | 76% | 0.755 | 70% | 0.704 | S | S | * | * | trans | 65 | 83 | 147.9 | 53.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 50 | F | 37.7 | Very low | 49.3 | Very low | 192 Ų | 192 | 132.4 Ų | 132.4 | 84% | 0.842 | 70% | 0.702 | S | S | * | * | -143.1 | 144.9 | 128.6 | -147 | -101.7 | 0 | 0 | 0 | 111.8 | |||||
| 51 | N | 47.1 | Very low | 51.4 | Low | 136 Ų | 136 | 130.2 Ų | 130.2 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | trans | -94.8 | 154.2 | -156.7 | -72.5 | -42.1 | 0 | 0 | 0 | 115.8 | D53 | N51-D53 PolarHBondContact O-N 2.81Š| ||
| 52 | G | 51.2 | Low | 53.2 | Low | 58 Ų | 58 | 130.4 Ų | 130.4 | 60% | 0.598 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 81.4 | -82.4 | 150.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | T55 | G52-T55 PolarHBondContact O-OG1 3.18Å; G52-T55 VanDerWaalsContact O-OG1 3.11Å |
| 53 | D | 52.4 | Low | 55.5 | Low | 125 Ų | 125 | 130 Ų | 130 | 67% | 0.668 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -87.7 | -14.7 | -165.8 | -78 | -45.2 | 0 | 0 | 0 | 114.5 | N51 | N51-D53 PolarHBondContact O-N 2.81Š|
| 54 | M | 52.1 | Low | 58 | Low | 116 Ų | 116 | 128.3 Ų | 128.3 | 57% | 0.571 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -70.4 | -33.5 | 178.9 | -78.5 | -59.8 | -169.9 | 0 | 0 | 112.9 | R56 R57 S58 | M54-R56 PolarHBondContact O-N 2.81Å; M54-R57 PolarHBondContact O-N 2.94Å; M54-R57 VanDerWaalsContact O-N 3.11Å; M54-S58 PolarHBondContact O-N 2.79Å; M54-S58 PolarHBondContact O-OG 3.35Å; M54-S58 VanDerWaalsContact O-OG 3.1Å |
| 55 | T | 57.5 | Low | 60 | Low | 93 Ų | 93 | 123.9 Ų | 123.9 | 57% | 0.571 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -60.3 | -42.4 | -178.3 | 45.4 | 0 | 0 | 0 | 0 | 112.5 | G52 R57 S58 E59 | G52-T55 PolarHBondContact O-OG1 3.18Å; G52-T55 VanDerWaalsContact O-OG1 3.11Å; T55-R57 VanDerWaalsContact C-N 3.33Å; T55-R57 PolarHBondContact O-N 2.83Å; T55-S58 PolarHBondContact O-OG 3.37Å; T55-E59 WeakPolarHBondContact O-CB 3.2Å; T55-E59 PolarHBondContact O-N 3.33Å |
| 56 | R | 61.7 | Low | 62.3 | Low | 197 Ų | 197 | 119.6 Ų | 119.6 | 74% | 0.743 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -70.4 | -26.1 | 176.9 | -71.4 | -176.7 | 174.1 | -176.6 | -0.8 | 113.6 | M54 K60 | M54-R56 PolarHBondContact O-N 2.81Å; R56-K60 VanDerWaalsContact O-CB 3.31Å; R56-K60 WeakPolarHBondContact O-CB 3.14Å; R56-K60 PolarHBondContact O-N 2.91Å |
| 57 | R | 65.4 | Low | 64.8 | Low | 161 Ų | 161 | 117.9 Ų | 117.9 | 61% | 0.608 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -79.3 | -48.9 | 174.3 | -79.4 | -176 | 170.5 | 139.9 | -1.7 | 111.3 | M54 T55 E59 K60 E61 | M54-R57 PolarHBondContact O-N 2.94Å; M54-R57 VanDerWaalsContact O-N 3.11Å; T55-R57 VanDerWaalsContact C-N 3.33Å; T55-R57 PolarHBondContact O-N 2.83Å; R57-E59 PolarHBondContact O-N 3.08Å; R57-K60 CarbonylContact O-C 3.6Å; R57-K60 PolarHBondContact O-N 3.39Å; R57-K60 VanDerWaalsContact O-N 3.15Å; R57-E61 WeakPolarHBondContact O-CB 3.44Å; R57-E61 WeakPolarHBondContact O-CG 3.41Å; R57-E61 PolarHBondContact O-N 3.21Å |
| 58 | S | 66.6 | Low | 67.1 | Low | 53 Ų | 53 | 115.6 Ų | 115.6 | 37% | 0.371 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.5 | -39 | 177.5 | 63.6 | 0 | 0 | 0 | 0 | 112.2 | M54 T55 E61 I62 | M54-S58 PolarHBondContact O-N 2.79Å; M54-S58 PolarHBondContact O-OG 3.35Å; M54-S58 VanDerWaalsContact O-OG 3.1Å; T55-S58 PolarHBondContact O-OG 3.37Å; S58-E61 PolarHBondContact O-N 2.95Å; S58-I62 WeakPolarHBondContact O-CB 3.46Å; S58-I62 WeakPolarHBondContact O-CD1 3.49Å; S58-I62 WeakPolarHBondContact O-CG1 3.23Å; S58-I62 PolarHBondContact O-N 3.15Å |
| 59 | E | 76.7 | Confident | 69.5 | Low | 119 Ų | 119 | 114.7 Ų | 114.7 | 56% | 0.556 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -59.7 | -45.9 | 171.1 | -179.5 | 177.3 | -150.6 | 0 | 0 | 111.1 | T55 R57 E61 I62 L63 | T55-E59 WeakPolarHBondContact O-CB 3.2Å; T55-E59 PolarHBondContact O-N 3.33Å; R57-E59 PolarHBondContact O-N 3.08Å; E59-E61 PolarHBondContact O-N 3.22Å; E59-I62 PolarHBondContact O-N 3.41Å; E59-L63 HydrophobicContact CG-CD1 4.04Å; E59-L63 WeakPolarHBondContact O-CB 3.36Å; E59-L63 VanDerWaalsContact O-CG 3.24Å; E59-L63 WeakPolarHBondContact O-CG 3.07Å; E59-L63 PolarHBondContact O-N 2.77Å |
| 60 | K | 79.9 | Confident | 71.8 | Confident | 146 Ų | 146 | 114.1 Ų | 114.1 | 64% | 0.635 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64 | -38.1 | 176.1 | -174.2 | 179 | 178.2 | -175.3 | 0 | 112.5 | R56 R57 L63 Q64 | R56-K60 VanDerWaalsContact O-CB 3.31Å; R56-K60 WeakPolarHBondContact O-CB 3.14Å; R56-K60 PolarHBondContact O-N 2.91Å; R57-K60 CarbonylContact O-C 3.6Å; R57-K60 PolarHBondContact O-N 3.39Å; R57-K60 VanDerWaalsContact O-N 3.15Å; K60-L63 PolarHBondContact O-N 3.35Å; K60-Q64 VanDerWaalsContact O-CB 3.28Å; K60-Q64 WeakPolarHBondContact O-CB 3.37Å; K60-Q64 PolarHBondContact O-N 2.79Å |
| 61 | E | 80.8 | Confident | 74.3 | Confident | 126 Ų | 126 | 107 Ų | 107 | 59% | 0.589 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -71.6 | -37.5 | 178.2 | -73.9 | 161 | -161.2 | 0 | 0 | 112 | R57 S58 E59 Q64 A65 | R57-E61 WeakPolarHBondContact O-CB 3.44Å; R57-E61 WeakPolarHBondContact O-CG 3.41Å; R57-E61 PolarHBondContact O-N 3.21Å; S58-E61 PolarHBondContact O-N 2.95Å; E59-E61 PolarHBondContact O-N 3.22Å; E61-Q64 PolarHBondContact O-N 2.88Å; E61-A65 WeakPolarHBondContact O-CB 3.35Å; E61-A65 PolarHBondContact O-N 2.83Å |
| 62 | I | 79.2 | Confident | 76.5 | Confident | 116 Ų | 116 | 102.6 Ų | 102.6 | 60% | 0.595 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.1 | -44.4 | 171.4 | -70.4 | 163.1 | 0 | 0 | 0 | 110.4 | S58 E59 Q64 A65 L66 | S58-I62 WeakPolarHBondContact O-CB 3.46Å; S58-I62 WeakPolarHBondContact O-CD1 3.49Å; S58-I62 WeakPolarHBondContact O-CG1 3.23Å; S58-I62 PolarHBondContact O-N 3.15Å; E59-I62 PolarHBondContact O-N 3.41Å; I62-Q64 VanDerWaalsContact C-N 3.34Å; I62-A65 PolarHBondContact O-N 2.83Å; I62-L66 VanDerWaalsContact O-CB 3.23Å; I62-L66 WeakPolarHBondContact O-CB 3.04Å; I62-L66 PolarHBondContact O-N 2.76Å |
| 63 | L | 83.4 | Confident | 78.6 | Confident | 100 Ų | 100 | 105.6 Ų | 105.6 | 52% | 0.524 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.4 | -35.8 | 174.8 | -72.6 | 171 | 0 | 0 | 0 | 112.1 | E59 K60 N67 | E59-L63 HydrophobicContact CG-CD1 4.04Å; E59-L63 WeakPolarHBondContact O-CB 3.36Å; E59-L63 VanDerWaalsContact O-CG 3.24Å; E59-L63 WeakPolarHBondContact O-CG 3.07Å; E59-L63 PolarHBondContact O-N 2.77Å; K60-L63 PolarHBondContact O-N 3.35Å; L63-N67 WeakPolarHBondContact O-CB 3.15Å; L63-N67 PolarHBondContact O-N 3.14Å |
| 64 | Q | 85.4 | Confident | 80.6 | Confident | 92 Ų | 92 | 104.4 Ų | 104.4 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.5 | -53.3 | 173.6 | -172.9 | 67.4 | 57.5 | 0 | 0 | 110.4 | K60 E61 I62 L66 N67 D68 | K60-Q64 VanDerWaalsContact O-CB 3.28Å; K60-Q64 WeakPolarHBondContact O-CB 3.37Å; K60-Q64 PolarHBondContact O-N 2.79Å; E61-Q64 PolarHBondContact O-N 2.88Å; I62-Q64 VanDerWaalsContact C-N 3.34Å; Q64-L66 VanDerWaalsContact C-N 3.26Å; Q64-L66 PolarHBondContact O-N 3.17Å; Q64-N67 CarbonylContact O-C 3.59Å; Q64-N67 WeakPolarHBondContact O-CA 3.43Å; Q64-N67 WeakPolarHBondContact O-CB 3.32Å; Q64-N67 PolarHBondContact O-N 2.86Å; Q64-D68 PolarHBondContact NE2-OD1 2.88Å; Q64-D68 PolarHBondContact O-N 2.86Å |
| 65 | A | 85.4 | Confident | 82.6 | Confident | 59 Ų | 59 | 102.7 Ų | 102.7 | 49% | 0.488 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.6 | -33.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | E61 I62 R69 | E61-A65 WeakPolarHBondContact O-CB 3.35Å; E61-A65 PolarHBondContact O-N 2.83Å; I62-A65 PolarHBondContact O-N 2.83Å; A65-R69 VanDerWaalsContact O-CB 3.28Å; A65-R69 WeakPolarHBondContact O-CB 3.13Å; A65-R69 PolarHBondContact O-N 2.74Å |
| 66 | L | 86.6 | Confident | 84.4 | Confident | 77 Ų | 77 | 103.9 Ų | 103.9 | 40% | 0.403 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.6 | -40.5 | 172.4 | -178.2 | 61.6 | 0 | 0 | 0 | 111.8 | I62 Q64 R69 F70 | I62-L66 VanDerWaalsContact O-CB 3.23Å; I62-L66 WeakPolarHBondContact O-CB 3.04Å; I62-L66 PolarHBondContact O-N 2.76Å; Q64-L66 VanDerWaalsContact C-N 3.26Å; Q64-L66 PolarHBondContact O-N 3.17Å; L66-R69 PolarHBondContact O-N 3.22Å; L66-F70 HydrophobicContact CD1-CD2 4.23Å; L66-F70 HydrophobicContact CD1-CE2 3.75Å; L66-F70 HydrophobicContact CD1-CZ 4.1Å; L66-F70 HydrophobicContact CD2-CE2 4.01Å; L66-F70 HydrophobicContact CG-CD2 3.93Å; L66-F70 HydrophobicContact CG-CE2 3.57Å; L66-F70 HydrophobicContact CG-CZ 4.39Å; L66-F70 WeakPolarHBondContact O-CD2 3.45Å; L66-F70 WeakPolarHBondContact O-CG 3.28Å; L66-F70 PolarHBondContact O-N 3.23Å |
| 67 | N | 88.2 | Confident | 86 | Confident | 97 Ų | 97 | 98.2 Ų | 98.2 | 52% | 0.519 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.4 | -44.4 | 175.8 | -167.4 | -0.8 | 0 | 0 | 0 | 111.6 | L63 Q64 R69 F70 A71 | L63-N67 WeakPolarHBondContact O-CB 3.15Å; L63-N67 PolarHBondContact O-N 3.14Å; Q64-N67 CarbonylContact O-C 3.59Å; Q64-N67 WeakPolarHBondContact O-CA 3.43Å; Q64-N67 WeakPolarHBondContact O-CB 3.32Å; Q64-N67 PolarHBondContact O-N 2.86Å; N67-R69 VanDerWaalsContact C-N 3.25Å; N67-R69 PolarHBondContact O-N 2.96Å; N67-F70 CarbonylContact O-C 3.59Å; N67-F70 WeakPolarHBondContact O-CA 3.17Å; N67-F70 WeakPolarHBondContact O-CB 3.35Å; N67-F70 PolarHBondContact O-N 3.14Å; N67-A71 PolarHBondContact O-N 3.35Å |
| 68 | D | 88.9 | Confident | 87.4 | Confident | 89 Ų | 89 | 98 Ų | 98 | 48% | 0.476 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.9 | -37.3 | 175.1 | -59 | -21.5 | 0 | 0 | 0 | 110.8 | Q64 A71 G72 | Q64-D68 PolarHBondContact NE2-OD1 2.88Å; Q64-D68 PolarHBondContact O-N 2.86Å; D68-A71 PolarHBondContact O-N 3Å; D68-G72 PolarHBondContact O-N 3.31Å |
| 69 | R | 89.8 | Confident | 88.8 | Confident | 133 Ų | 133 | 99.9 Ų | 99.9 | 50% | 0.502 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.7 | -37.6 | 171.4 | -175.2 | 175.4 | 176.4 | -178.3 | -3.7 | 112.5 | A65 L66 N67 G72 Y73 | A65-R69 VanDerWaalsContact O-CB 3.28Å; A65-R69 WeakPolarHBondContact O-CB 3.13Å; A65-R69 PolarHBondContact O-N 2.74Å; L66-R69 PolarHBondContact O-N 3.22Å; N67-R69 VanDerWaalsContact C-N 3.25Å; N67-R69 PolarHBondContact O-N 2.96Å; R69-G72 PolarHBondContact O-N 3.15Å; R69-Y73 HydrophobicContact CG-CD2 4.05Å; R69-Y73 HydrophobicContact CG-CE2 3.7Å; R69-Y73 PolarHBondContact NE-OH 2.79Å; R69-Y73 PolarHBondContact NH2-OH 3.45Å; R69-Y73 WeakPolarHBondContact O-CD2 3.28Å; R69-Y73 PolarHBondContact O-N 2.63Å |
| 70 | F | 91.4 | Very high | 89.7 | Confident | 112 Ų | 112 | 98 Ų | 98 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.9 | -38.9 | 172.3 | -78.5 | -51.5 | 0 | 0 | 0 | 112.2 | L66 N67 Y73 I74 | L66-F70 HydrophobicContact CD1-CD2 4.23Å; L66-F70 HydrophobicContact CD1-CE2 3.75Å; L66-F70 HydrophobicContact CD1-CZ 4.1Å; L66-F70 HydrophobicContact CD2-CE2 4.01Å; L66-F70 HydrophobicContact CG-CD2 3.93Å; L66-F70 HydrophobicContact CG-CE2 3.57Å; L66-F70 HydrophobicContact CG-CZ 4.39Å; L66-F70 WeakPolarHBondContact O-CD2 3.45Å; L66-F70 WeakPolarHBondContact O-CG 3.28Å; L66-F70 PolarHBondContact O-N 3.23Å; N67-F70 CarbonylContact O-C 3.59Å; N67-F70 WeakPolarHBondContact O-CA 3.17Å; N67-F70 WeakPolarHBondContact O-CB 3.35Å; N67-F70 PolarHBondContact O-N 3.14Å; F70-Y73 HydrophobicContact CD1-CD2 4.46Å; F70-Y73 CarbonylContact O-C 3.6Å; F70-Y73 PolarHBondContact O-N 3.41Å; F70-Y73 VanDerWaalsContact O-N 3.13Å; F70-I74 VanDerWaalsContact O-CG1 3.28Å; F70-I74 WeakPolarHBondContact O-CG1 2.95Å; F70-I74 PolarHBondContact O-N 2.87Å |
| 71 | A | 91.1 | Very high | 90.4 | Very high | 41 Ų | 41 | 94.5 Ų | 94.5 | 34% | 0.339 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.8 | -46.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | N67 D68 Y73 I74 D75 | N67-A71 PolarHBondContact O-N 3.35Å; D68-A71 PolarHBondContact O-N 3Å; A71-Y73 VanDerWaalsContact C-N 3.29Å; A71-Y73 PolarHBondContact O-N 2.87Å; A71-I74 PolarHBondContact O-N 3.45Å; A71-I74 VanDerWaalsContact O-N 3.11Å; A71-D75 PolarHBondContact O-N 3.14Å |
| 72 | G | 93.2 | Very high | 91.2 | Very high | 44 Ų | 44 | 93.6 Ų | 93.6 | 45% | 0.454 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.7 | -35.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114 | D68 R69 K76 | D68-G72 PolarHBondContact O-N 3.31Å; R69-G72 PolarHBondContact O-N 3.15Å; G72-K76 VanDerWaalsContact O-CB 3.26Å; G72-K76 WeakPolarHBondContact O-CB 3.32Å; G72-K76 PolarHBondContact O-N 2.94Å |
| 73 | Y | 95.2 | Very high | 92 | Very high | 121 Ų | 121 | 93.1 Ų | 93.1 | 48% | 0.475 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.9 | -39.8 | 171.6 | -76.5 | -55.9 | 0 | 0 | 0 | 112.8 | R69 F70 A71 K76 V77 | R69-Y73 HydrophobicContact CG-CD2 4.05Å; R69-Y73 HydrophobicContact CG-CE2 3.7Å; R69-Y73 PolarHBondContact NE-OH 2.79Å; R69-Y73 PolarHBondContact NH2-OH 3.45Å; R69-Y73 WeakPolarHBondContact O-CD2 3.28Å; R69-Y73 PolarHBondContact O-N 2.63Å; F70-Y73 HydrophobicContact CD1-CD2 4.46Å; F70-Y73 CarbonylContact O-C 3.6Å; F70-Y73 PolarHBondContact O-N 3.41Å; F70-Y73 VanDerWaalsContact O-N 3.13Å; A71-Y73 VanDerWaalsContact C-N 3.29Å; A71-Y73 PolarHBondContact O-N 2.87Å; Y73-K76 CarbonylContact O-C 3.58Å; Y73-K76 PolarHBondContact O-N 2.93Å; Y73-V77 WeakPolarHBondContact O-CB 3.09Å; Y73-V77 WeakPolarHBondContact O-CG2 3.16Å; Y73-V77 PolarHBondContact O-N 2.82Å |
| 74 | I | 93.3 | Very high | 92.5 | Very high | 100 Ų | 100 | 92.3 Ų | 92.3 | 51% | 0.513 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.7 | -44.5 | 176.7 | -71.6 | 162.1 | 0 | 0 | 0 | 110.4 | F70 A71 K76 V77 R78 | F70-I74 VanDerWaalsContact O-CG1 3.28Å; F70-I74 WeakPolarHBondContact O-CG1 2.95Å; F70-I74 PolarHBondContact O-N 2.87Å; A71-I74 PolarHBondContact O-N 3.45Å; A71-I74 VanDerWaalsContact O-N 3.11Å; I74-K76 VanDerWaalsContact C-N 3.34Å; I74-V77 PolarHBondContact O-N 3.36Å; I74-R78 PolarHBondContact O-N 3.26Å |
| 75 | D | 94.5 | Very high | 93 | Very high | 80 Ų | 80 | 94.3 Ų | 94.3 | 43% | 0.428 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.3 | -34.6 | 174.7 | -74.4 | -25.7 | 0 | 0 | 0 | 111.4 | A71 R78 N79 | A71-D75 PolarHBondContact O-N 3.14Å; D75-R78 PolarHBondContact O-N 2.77Å; D75-N79 VanDerWaalsContact O-CB 3.31Å; D75-N79 WeakPolarHBondContact O-CB 3.41Å; D75-N79 PolarHBondContact O-N 3.45Å; D75-N79 PolarHBondContact O-ND2 3.24Å |
| 76 | K | 95.3 | Very high | 93.6 | Very high | 118 Ų | 118 | 96.7 Ų | 96.7 | 51% | 0.513 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 172 | -176.3 | 54.7 | -179.3 | 167.5 | 0 | 112 | G72 Y73 I74 N79 L80 | G72-K76 VanDerWaalsContact O-CB 3.26Å; G72-K76 WeakPolarHBondContact O-CB 3.32Å; G72-K76 PolarHBondContact O-N 2.94Å; Y73-K76 CarbonylContact O-C 3.58Å; Y73-K76 PolarHBondContact O-N 2.93Å; I74-K76 VanDerWaalsContact C-N 3.34Å; K76-N79 PolarHBondContact O-N 3.35Å; K76-L80 HydrophobicContact CD-CD1 4.4Å; K76-L80 HydrophobicContact CD-CG 4.34Å; K76-L80 HydrophobicContact CG-CD1 4.24Å; K76-L80 WeakPolarHBondContact O-CB 3.41Å; K76-L80 VanDerWaalsContact O-CG 3.28Å; K76-L80 WeakPolarHBondContact O-CG 3.47Å; K76-L80 PolarHBondContact O-N 2.87Å |
| 77 | V | 96.1 | Very high | 94 | Very high | 78 Ų | 78 | 96.7 Ų | 96.7 | 47% | 0.473 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.4 | -50.3 | 173.4 | 168.6 | 0 | 0 | 0 | 0 | 110.1 | Y73 I74 N79 L80 E81 | Y73-V77 WeakPolarHBondContact O-CB 3.09Å; Y73-V77 WeakPolarHBondContact O-CG2 3.16Å; Y73-V77 PolarHBondContact O-N 2.82Å; I74-V77 PolarHBondContact O-N 3.36Å; V77-N79 VanDerWaalsContact C-N 3.32Å; V77-N79 PolarHBondContact O-N 2.97Å; V77-L80 CarbonylContact O-C 3.49Å; V77-L80 WeakPolarHBondContact O-CA 3.43Å; V77-L80 PolarHBondContact O-N 3.29Å; V77-E81 HydrophobicContact CG1-CG 4.24Å; V77-E81 WeakPolarHBondContact O-CG 3.38Å; V77-E81 PolarHBondContact O-N 2.94Å |
| 78 | R | 94.1 | Very high | 94.4 | Very high | 156 Ų | 156 | 98 Ų | 98 | 59% | 0.589 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -54.3 | -44.8 | 173.9 | -86.1 | 179.5 | 162.6 | 164.1 | -4.9 | 113 | I74 D75 L80 E81 M82 | I74-R78 PolarHBondContact O-N 3.26Å; D75-R78 PolarHBondContact O-N 2.77Å; R78-L80 VanDerWaalsContact C-N 3.34Å; R78-L80 PolarHBondContact O-N 2.99Å; R78-E81 PolarHBondContact O-N 3.48Å; R78-M82 WeakPolarHBondContact O-CG 3.29Å; R78-M82 PolarHBondContact O-N 3.48Å |
| 79 | N | 95.9 | Very high | 94.7 | Very high | 93 Ų | 93 | 96.5 Ų | 96.5 | 50% | 0.497 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.9 | -35.8 | 177.3 | -79.4 | -62.2 | 0 | 0 | 0 | 112.4 | D75 K76 V77 H83 | D75-N79 VanDerWaalsContact O-CB 3.31Å; D75-N79 WeakPolarHBondContact O-CB 3.41Å; D75-N79 PolarHBondContact O-N 3.45Å; D75-N79 PolarHBondContact O-ND2 3.24Å; K76-N79 PolarHBondContact O-N 3.35Å; V77-N79 VanDerWaalsContact C-N 3.32Å; V77-N79 PolarHBondContact O-N 2.97Å; N79-H83 WeakPolarHBondContact O-CB 3.44Å; N79-H83 PolarHBondContact O-N 2.94Å |
| 80 | L | 95.9 | Very high | 95 | Very high | 79 Ų | 79 | 95.8 Ų | 95.8 | 41% | 0.414 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.1 | -39.6 | 173 | -73.2 | 170.4 | 0 | 0 | 0 | 112.2 | K76 V77 R78 H83 N84 | K76-L80 HydrophobicContact CD-CD1 4.4Å; K76-L80 HydrophobicContact CD-CG 4.34Å; K76-L80 HydrophobicContact CG-CD1 4.24Å; K76-L80 WeakPolarHBondContact O-CB 3.41Å; K76-L80 VanDerWaalsContact O-CG 3.28Å; K76-L80 WeakPolarHBondContact O-CG 3.47Å; K76-L80 PolarHBondContact O-N 2.87Å; V77-L80 CarbonylContact O-C 3.49Å; V77-L80 WeakPolarHBondContact O-CA 3.43Å; V77-L80 PolarHBondContact O-N 3.29Å; R78-L80 VanDerWaalsContact C-N 3.34Å; R78-L80 PolarHBondContact O-N 2.99Å; L80-H83 PolarHBondContact O-N 3.41Å; L80-N84 WeakPolarHBondContact O-CB 3.45Å; L80-N84 PolarHBondContact O-N 3.38Å; L80-N84 PolarHBondContact O-OD1 3.3Å |
| 81 | E | 95.3 | Very high | 95.1 | Very high | 74 Ų | 74 | 92.1 Ų | 92.1 | 35% | 0.346 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64 | -43.5 | 173.8 | -69.2 | 178.9 | -161 | 0 | 0 | 111.8 | V77 R78 H83 N84 R85 | V77-E81 HydrophobicContact CG1-CG 4.24Å; V77-E81 WeakPolarHBondContact O-CG 3.38Å; V77-E81 PolarHBondContact O-N 2.94Å; R78-E81 PolarHBondContact O-N 3.48Å; E81-H83 VanDerWaalsContact C-N 3.32Å; E81-N84 PolarHBondContact O-N 2.84Å; E81-R85 VanDerWaalsContact CB-NH1 3.32Å; E81-R85 WeakPolarHBondContact O-CB 3.19Å; E81-R85 VanDerWaalsContact O-CG 3.24Å; E81-R85 WeakPolarHBondContact O-CG 3.49Å; E81-R85 PolarHBondContact O-N 2.8Å; E81-R85 IonicContact OE2-CZ 2.7Å; E81-R85 IonicContact OE2-NH1 2.71Å; E81-R85 PolarHBondContact OE2-NH1 2.87Å; E81-R85 IonicContact OE2-NH2 3.62Å; E81-R85 PolarHBondContact OE2-NH2 2.83Å |
| 82 | M | 96.1 | Very high | 95.3 | Very high | 107 Ų | 107 | 92.7 Ų | 92.7 | 53% | 0.527 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.8 | -38 | 174.9 | -70.3 | -153.7 | -53.6 | 0 | 0 | 111.3 | R78 N86 | R78-M82 WeakPolarHBondContact O-CG 3.29Å; R78-M82 PolarHBondContact O-N 3.48Å; M82-N86 WeakPolarHBondContact O-CB 3.33Å; M82-N86 PolarHBondContact O-N 3.47Å; M82-N86 PolarHBondContact O-OD1 3.38Å |
| 83 | H | 95.8 | Very high | 95.3 | Very high | 105 Ų | 105 | 93.2 Ų | 93.2 | 49% | 0.486 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 174.8 | -167.8 | 46.2 | 0 | 0 | 0 | 111.9 | N79 L80 E81 N86 L87 | N79-H83 WeakPolarHBondContact O-CB 3.44Å; N79-H83 PolarHBondContact O-N 2.94Å; L80-H83 PolarHBondContact O-N 3.41Å; E81-H83 VanDerWaalsContact C-N 3.32Å; H83-N86 PolarHBondContact O-N 3.37Å; H83-L87 VanDerWaalsContact O-CG 3.32Å; H83-L87 WeakPolarHBondContact O-CG 3.2Å; H83-L87 PolarHBondContact O-N 2.88Å |
| 84 | N | 95.4 | Very high | 95.2 | Very high | 84 Ų | 84 | 92.7 Ų | 92.7 | 45% | 0.449 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.4 | -47.2 | 174.2 | -74.6 | 2.9 | 0 | 0 | 0 | 111.5 | L80 E81 N86 L87 E88 | L80-N84 WeakPolarHBondContact O-CB 3.45Å; L80-N84 PolarHBondContact O-N 3.38Å; L80-N84 PolarHBondContact O-OD1 3.3Å; E81-N84 PolarHBondContact O-N 2.84Å; N84-N86 VanDerWaalsContact C-N 3.26Å; N84-N86 PolarHBondContact O-N 3.13Å; N84-L87 CarbonylContact O-C 3.56Å; N84-L87 PolarHBondContact O-N 2.93Å; N84-L87 VanDerWaalsContact O-N 3.11Å; N84-E88 WeakPolarHBondContact O-CB 3.32Å; N84-E88 VanDerWaalsContact O-CG 3.24Å; N84-E88 WeakPolarHBondContact O-CG 3.46Å; N84-E88 PolarHBondContact O-N 3.48Å |
| 85 | R | 96.3 | Very high | 95.2 | Very high | 134 Ų | 134 | 95.8 Ų | 95.8 | 51% | 0.506 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.7 | -38.2 | 175 | -72.9 | 170.7 | -173 | 121.4 | 10.5 | 112.2 | E81 A89 | E81-R85 VanDerWaalsContact CB-NH1 3.32Å; E81-R85 WeakPolarHBondContact O-CB 3.19Å; E81-R85 VanDerWaalsContact O-CG 3.24Å; E81-R85 WeakPolarHBondContact O-CG 3.49Å; E81-R85 PolarHBondContact O-N 2.8Å; E81-R85 IonicContact OE2-CZ 2.7Å; E81-R85 IonicContact OE2-NH1 2.71Å; E81-R85 PolarHBondContact OE2-NH1 2.87Å; E81-R85 IonicContact OE2-NH2 3.62Å; E81-R85 PolarHBondContact OE2-NH2 2.83Å; R85-A89 WeakPolarHBondContact O-CB 3.44Å; R85-A89 PolarHBondContact O-N 3.5Å |
| 86 | N | 96.8 | Very high | 95.1 | Very high | 108 Ų | 108 | 99.3 Ų | 99.3 | 58% | 0.578 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.9 | -42.5 | 175.3 | -71 | -0.2 | 0 | 0 | 0 | 112 | M82 H83 N84 A89 E90 | M82-N86 WeakPolarHBondContact O-CB 3.33Å; M82-N86 PolarHBondContact O-N 3.47Å; M82-N86 PolarHBondContact O-OD1 3.38Å; H83-N86 PolarHBondContact O-N 3.37Å; N84-N86 VanDerWaalsContact C-N 3.26Å; N84-N86 PolarHBondContact O-N 3.13Å; N86-A89 PolarHBondContact O-N 2.82Å; N86-E90 WeakPolarHBondContact O-CB 3.31Å; N86-E90 PolarHBondContact O-N 3.49Å |
| 87 | L | 96.3 | Very high | 94.8 | Very high | 78 Ų | 78 | 96.5 Ų | 96.5 | 41% | 0.408 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67 | -35.8 | 175.8 | -70.6 | 169.5 | 0 | 0 | 0 | 112.2 | H83 N84 A91 | H83-L87 VanDerWaalsContact O-CG 3.32Å; H83-L87 WeakPolarHBondContact O-CG 3.2Å; H83-L87 PolarHBondContact O-N 2.88Å; N84-L87 CarbonylContact O-C 3.56Å; N84-L87 PolarHBondContact O-N 2.93Å; N84-L87 VanDerWaalsContact O-N 3.11Å; L87-A91 WeakPolarHBondContact O-CB 3.37Å; L87-A91 PolarHBondContact O-N 3.43Å |
| 88 | E | 95.9 | Very high | 94.5 | Very high | 123 Ų | 123 | 98.5 Ų | 98.5 | 58% | 0.575 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64 | -44.5 | 172.5 | -74.6 | 162.8 | -170.9 | 0 | 0 | 110.8 | N84 A91 A92 | N84-E88 WeakPolarHBondContact O-CB 3.32Å; N84-E88 VanDerWaalsContact O-CG 3.24Å; N84-E88 WeakPolarHBondContact O-CG 3.46Å; N84-E88 PolarHBondContact O-N 3.48Å; E88-A91 PolarHBondContact O-N 2.89Å; E88-A92 WeakPolarHBondContact O-CB 3.39Å; E88-A92 PolarHBondContact O-N 3.15Å |
| 89 | A | 95.7 | Very high | 94.2 | Very high | 58 Ų | 58 | 93.8 Ų | 93.8 | 48% | 0.479 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R85 N86 A92 A93 | R85-A89 WeakPolarHBondContact O-CB 3.44Å; R85-A89 PolarHBondContact O-N 3.5Å; N86-A89 PolarHBondContact O-N 2.82Å; A89-A92 PolarHBondContact O-N 2.81Å; A89-A93 WeakPolarHBondContact O-CB 3.31Å; A89-A93 PolarHBondContact O-N 3.32Å |
| 90 | E | 95.9 | Very high | 93.9 | Very high | 118 Ų | 118 | 91.2 Ų | 91.2 | 55% | 0.551 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.4 | -46.2 | 174.3 | -175.2 | 176.4 | -178.3 | 0 | 0 | 111 | N86 A92 A93 L94 | N86-E90 WeakPolarHBondContact O-CB 3.31Å; N86-E90 PolarHBondContact O-N 3.49Å; E90-A92 VanDerWaalsContact C-N 3.27Å; E90-A92 PolarHBondContact O-N 3.07Å; E90-A93 PolarHBondContact O-N 3.01Å; E90-L94 HydrophobicContact CG-CD1 4.2Å; E90-L94 WeakPolarHBondContact O-CB 3.3Å; E90-L94 WeakPolarHBondContact O-CG 3.33Å; E90-L94 PolarHBondContact O-N 3.23Å |
| 91 | A | 93.1 | Very high | 93.5 | Very high | 35 Ų | 35 | 96.5 Ų | 96.5 | 29% | 0.289 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.9 | -24.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L87 E88 R95 | L87-A91 WeakPolarHBondContact O-CB 3.37Å; L87-A91 PolarHBondContact O-N 3.43Å; E88-A91 PolarHBondContact O-N 2.89Å; A91-R95 VanDerWaalsContact C-NH1 3.31Å; A91-R95 VanDerWaalsContact O-CG 3.28Å; A91-R95 WeakPolarHBondContact O-CG 3.12Å; A91-R95 PolarHBondContact O-N 3.1Å; A91-R95 PolarHBondContact O-NH1 3.32Å |
| 92 | A | 94.3 | Very high | 93.2 | Very high | 54 Ų | 54 | 97.4 Ų | 97.4 | 45% | 0.446 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -73.9 | -46.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | E88 A89 E90 L94 R95 Q96 | E88-A92 WeakPolarHBondContact O-CB 3.39Å; E88-A92 PolarHBondContact O-N 3.15Å; A89-A92 PolarHBondContact O-N 2.81Å; E90-A92 VanDerWaalsContact C-N 3.27Å; E90-A92 PolarHBondContact O-N 3.07Å; A92-L94 PolarHBondContact O-N 3.03Å; A92-R95 PolarHBondContact O-N 2.88Å; A92-Q96 PolarHBondContact O-N 2.86Å |
| 93 | A | 94 | Very high | 93 | Very high | 54 Ų | 54 | 94.6 Ų | 94.6 | 45% | 0.446 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -40 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A89 E90 Q96 S97 | A89-A93 WeakPolarHBondContact O-CB 3.31Å; A89-A93 PolarHBondContact O-N 3.32Å; E90-A93 PolarHBondContact O-N 3.01Å; A93-Q96 PolarHBondContact O-N 3.27Å; A93-S97 WeakPolarHBondContact O-CB 3.25Å; A93-S97 PolarHBondContact O-N 3.09Å |
| 94 | L | 93.5 | Very high | 92.8 | Very high | 111 Ų | 111 | 93.3 Ų | 93.3 | 58% | 0.581 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.2 | -43.2 | 174.4 | -73.5 | 171.4 | 0 | 0 | 0 | 112 | E90 A92 S97 Q98 | E90-L94 HydrophobicContact CG-CD1 4.2Å; E90-L94 WeakPolarHBondContact O-CB 3.3Å; E90-L94 WeakPolarHBondContact O-CG 3.33Å; E90-L94 PolarHBondContact O-N 3.23Å; A92-L94 PolarHBondContact O-N 3.03Å; L94-S97 PolarHBondContact O-N 3.45Å; L94-Q98 WeakPolarHBondContact O-CB 3.24Å; L94-Q98 PolarHBondContact O-N 2.75Å |
| 95 | R | 92.7 | Very high | 92.8 | Very high | 165 Ų | 165 | 90.7 Ų | 90.7 | 62% | 0.623 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63 | -41.5 | 174.1 | -74.7 | 177.1 | -172.7 | 99.9 | -10.4 | 112 | A91 A92 Q98 A99 | A91-R95 VanDerWaalsContact C-NH1 3.31Å; A91-R95 VanDerWaalsContact O-CG 3.28Å; A91-R95 WeakPolarHBondContact O-CG 3.12Å; A91-R95 PolarHBondContact O-N 3.1Å; A91-R95 PolarHBondContact O-NH1 3.32Å; A92-R95 PolarHBondContact O-N 2.88Å; R95-Q98 PolarHBondContact O-N 2.87Å; R95-A99 WeakPolarHBondContact O-CB 3.49Å; R95-A99 PolarHBondContact O-N 3.08Å |
| 96 | Q | 91.9 | Very high | 92.7 | Very high | 153 Ų | 153 | 88.3 Ų | 88.3 | 72% | 0.715 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.5 | -41.6 | 176.5 | -168 | 179.3 | 17.7 | 0 | 0 | 111.7 | A92 A93 A99 G100 | A92-Q96 PolarHBondContact O-N 2.86Å; A93-Q96 PolarHBondContact O-N 3.27Å; Q96-A99 PolarHBondContact O-N 3.31Å; Q96-G100 PolarHBondContact O-N 2.77Å |
| 97 | S | 89.9 | Confident | 92.6 | Very high | 59 Ų | 59 | 87.8 Ų | 87.8 | 41% | 0.413 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 174.2 | -168.2 | 0 | 0 | 0 | 0 | 112 | A93 L94 G100 R101 | A93-S97 WeakPolarHBondContact O-CB 3.25Å; A93-S97 PolarHBondContact O-N 3.09Å; L94-S97 PolarHBondContact O-N 3.45Å; S97-G100 PolarHBondContact O-N 2.9Å; S97-R101 WeakPolarHBondContact O-CG 3.26Å; S97-R101 PolarHBondContact O-N 3.31Å |
| 98 | Q | 89.3 | Confident | 92.6 | Very high | 121 Ų | 121 | 91.5 Ų | 91.5 | 57% | 0.565 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65 | -45.5 | 175.7 | -172.9 | 177.4 | 5 | 0 | 0 | 111.8 | L94 R95 G100 R101 I102 | L94-Q98 WeakPolarHBondContact O-CB 3.24Å; L94-Q98 PolarHBondContact O-N 2.75Å; R95-Q98 PolarHBondContact O-N 2.87Å; Q98-G100 VanDerWaalsContact C-N 3.33Å; Q98-G100 PolarHBondContact O-N 3.15Å; Q98-R101 PolarHBondContact O-N 3.37Å; Q98-R101 VanDerWaalsContact O-N 3.16Å; Q98-I102 HydrophobicContact CG-CD1 4Å; Q98-I102 WeakPolarHBondContact O-CG1 3.36Å; Q98-I102 PolarHBondContact O-N 2.88Å |
| 99 | A | 88.9 | Confident | 92.6 | Very high | 57 Ų | 57 | 91.7 Ų | 91.7 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | R95 Q96 R101 I102 S103 | R95-A99 WeakPolarHBondContact O-CB 3.49Å; R95-A99 PolarHBondContact O-N 3.08Å; Q96-A99 PolarHBondContact O-N 3.31Å; A99-R101 PolarHBondContact O-N 2.98Å; A99-I102 PolarHBondContact O-N 3.26Å; A99-S103 WeakPolarHBondContact O-CB 3.38Å; A99-S103 PolarHBondContact O-N 3.2Å |
| 100 | G | 88.3 | Confident | 92.7 | Very high | 38 Ų | 38 | 94 Ų | 94 | 39% | 0.392 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q96 S97 Q98 V104 | Q96-G100 PolarHBondContact O-N 2.77Å; S97-G100 PolarHBondContact O-N 2.9Å; Q98-G100 VanDerWaalsContact C-N 3.33Å; Q98-G100 PolarHBondContact O-N 3.15Å; G100-V104 WeakPolarHBondContact O-CG2 3.43Å; G100-V104 PolarHBondContact O-N 2.88Å |
| 101 | R | 88.1 | Confident | 92.7 | Very high | 191 Ų | 191 | 94.3 Ų | 94.3 | 72% | 0.721 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.5 | -41.2 | 175.7 | -70.1 | 175.1 | -167.8 | -145.9 | 3.1 | 112.8 | S97 Q98 A99 V104 G105 | S97-R101 WeakPolarHBondContact O-CG 3.26Å; S97-R101 PolarHBondContact O-N 3.31Å; Q98-R101 PolarHBondContact O-N 3.37Å; Q98-R101 VanDerWaalsContact O-N 3.16Å; A99-R101 PolarHBondContact O-N 2.98Å; R101-V104 PolarHBondContact O-N 3.16Å; R101-G105 PolarHBondContact O-N 2.95Å |
| 102 | I | 88.4 | Confident | 93 | Very high | 93 Ų | 93 | 96.8 Ų | 96.8 | 48% | 0.477 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63 | -49.9 | 176.9 | -68 | 165.4 | 0 | 0 | 0 | 109.5 | Q98 A99 V104 G105 E106 | Q98-I102 HydrophobicContact CG-CD1 4Å; Q98-I102 WeakPolarHBondContact O-CG1 3.36Å; Q98-I102 PolarHBondContact O-N 2.88Å; A99-I102 PolarHBondContact O-N 3.26Å; I102-V104 VanDerWaalsContact C-N 3.32Å; I102-V104 PolarHBondContact O-N 2.88Å; I102-G105 CarbonylContact O-C 3.54Å; I102-G105 WeakPolarHBondContact O-CA 3.47Å; I102-G105 PolarHBondContact O-N 2.87Å; I102-E106 PolarHBondContact O-N 2.84Å |
| 103 | S | 92.3 | Very high | 93.1 | Very high | 47 Ų | 47 | 98.3 Ų | 98.3 | 33% | 0.329 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.1 | -41.4 | 178.7 | -169.1 | 0 | 0 | 0 | 0 | 112.4 | A99 G105 E106 H107 | A99-S103 WeakPolarHBondContact O-CB 3.38Å; A99-S103 PolarHBondContact O-N 3.2Å; S103-G105 VanDerWaalsContact C-N 3.32Å; S103-G105 PolarHBondContact O-N 3.11Å; S103-E106 PolarHBondContact O-N 3.32Å; S103-H107 PolarHBondContact O-N 3.45Å; S103-H107 VanDerWaalsContact O-N 3.13Å; S103-H107 PolarHBondContact O-ND1 3.33Å |
| 104 | V | 93.1 | Very high | 93.3 | Very high | 79 Ų | 79 | 101 Ų | 101 | 48% | 0.479 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63 | -37.9 | 173.2 | 168.3 | 0 | 0 | 0 | 0 | 111.8 | G100 R101 I102 H107 Y108 | G100-V104 WeakPolarHBondContact O-CG2 3.43Å; G100-V104 PolarHBondContact O-N 2.88Å; R101-V104 PolarHBondContact O-N 3.16Å; I102-V104 VanDerWaalsContact C-N 3.32Å; I102-V104 PolarHBondContact O-N 2.88Å; V104-H107 PolarHBondContact O-N 2.68Å; V104-Y108 HydrophobicContact CG1-CD2 3.94Å; V104-Y108 HydrophobicContact CG1-CE2 3.52Å; V104-Y108 WeakPolarHBondContact O-CD2 3.43Å; V104-Y108 PolarHBondContact O-N 3.29Å |
| 105 | G | 94.1 | Very high | 93.5 | Very high | 28 Ų | 28 | 100.8 Ų | 100.8 | 29% | 0.289 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.6 | -51.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R101 I102 S103 H107 Y108 E109 | R101-G105 PolarHBondContact O-N 2.95Å; I102-G105 CarbonylContact O-C 3.54Å; I102-G105 WeakPolarHBondContact O-CA 3.47Å; I102-G105 PolarHBondContact O-N 2.87Å; S103-G105 VanDerWaalsContact C-N 3.32Å; S103-G105 PolarHBondContact O-N 3.11Å; G105-H107 VanDerWaalsContact C-N 3.26Å; G105-H107 PolarHBondContact O-N 3.07Å; G105-Y108 PolarHBondContact O-N 3.3Å; G105-Y108 VanDerWaalsContact O-N 3.1Å; G105-E109 PolarHBondContact O-N 3.4Å |
| 106 | E | 95 | Very high | 93.8 | Very high | 85 Ų | 85 | 99.7 Ų | 99.7 | 40% | 0.397 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.6 | -35.6 | 177.8 | -63.2 | 167.6 | -157.5 | 0 | 0 | 113.2 | I102 S103 E109 R110 | I102-E106 PolarHBondContact O-N 2.84Å; S103-E106 PolarHBondContact O-N 3.32Å; E106-E109 PolarHBondContact O-N 3Å; E106-R110 WeakPolarHBondContact O-CB 3.25Å; E106-R110 WeakPolarHBondContact O-CG 3.38Å; E106-R110 PolarHBondContact O-N 3.28Å; E106-R110 PolarHBondContact O-NE 3.02Å; E106-R110 IonicContact OE2-NH2 3.76Å; E106-R110 PolarHBondContact OE2-NH2 3.44Å |
| 107 | H | 94.4 | Very high | 94.1 | Very high | 97 Ų | 97 | 93.5 Ų | 93.5 | 45% | 0.449 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.4 | -45.4 | 176.3 | -76 | 79.9 | 0 | 0 | 0 | 110.9 | S103 V104 G105 E109 R110 E111 | S103-H107 PolarHBondContact O-N 3.45Å; S103-H107 VanDerWaalsContact O-N 3.13Å; S103-H107 PolarHBondContact O-ND1 3.33Å; V104-H107 PolarHBondContact O-N 2.68Å; G105-H107 VanDerWaalsContact C-N 3.26Å; G105-H107 PolarHBondContact O-N 3.07Å; H107-E109 VanDerWaalsContact C-N 3.33Å; H107-E109 PolarHBondContact O-N 2.96Å; H107-R110 PolarHBondContact CD2-NH1 3.1Å; H107-R110 PolarHBondContact CE1-NH1 2.9Å; H107-R110 VanDerWaalsContact CG-NH1 3.34Å; H107-R110 PolarHBondContact NE2-NH1 3.16Å; H107-R110 VanDerWaalsContact NE2-NH1 3.18Å; H107-R110 PolarHBondContact O-N 3.18Å; H107-E111 VanDerWaalsContact O-CG 3.28Å; H107-E111 WeakPolarHBondContact O-CG 3.28Å; H107-E111 PolarHBondContact O-N 2.8Å |
| 108 | Y | 96.1 | Very high | 94.5 | Very high | 156 Ų | 156 | 94.7 Ų | 94.7 | 61% | 0.612 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.3 | -33.1 | 174.3 | -68.8 | -55.7 | 0 | 0 | 0 | 113 | V104 G105 L112 | V104-Y108 HydrophobicContact CG1-CD2 3.94Å; V104-Y108 HydrophobicContact CG1-CE2 3.52Å; V104-Y108 WeakPolarHBondContact O-CD2 3.43Å; V104-Y108 PolarHBondContact O-N 3.29Å; G105-Y108 PolarHBondContact O-N 3.3Å; G105-Y108 VanDerWaalsContact O-N 3.1Å; Y108-L112 VanDerWaalsContact O-CB 3.26Å; Y108-L112 WeakPolarHBondContact O-CB 3.25Å; Y108-L112 WeakPolarHBondContact O-CD1 3.49Å; Y108-L112 WeakPolarHBondContact O-CG 3.24Å; Y108-L112 PolarHBondContact O-N 3.48Å |
| 109 | E | 96.1 | Very high | 95 | Very high | 126 Ų | 126 | 94.4 Ų | 94.4 | 59% | 0.589 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -68.6 | -37.1 | 175.1 | -73.1 | -179.6 | 172.1 | 0 | 0 | 112.4 | G105 E106 H107 N113 | G105-E109 PolarHBondContact O-N 3.4Å; E106-E109 PolarHBondContact O-N 3Å; H107-E109 VanDerWaalsContact C-N 3.33Å; H107-E109 PolarHBondContact O-N 2.96Å; E109-N113 WeakPolarHBondContact O-CB 3.49Å; E109-N113 PolarHBondContact O-N 2.81Å; E109-N113 PolarHBondContact O-ND2 3.16Å |
| 110 | R | 97.1 | Very high | 95.4 | Very high | 106 Ų | 106 | 98.4 Ų | 98.4 | 40% | 0.4 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.4 | -55.7 | 171.6 | -75.5 | 176.5 | -110.3 | 125.7 | -6.8 | 111.1 | E106 H107 L112 N113 D114 | E106-R110 WeakPolarHBondContact O-CB 3.25Å; E106-R110 WeakPolarHBondContact O-CG 3.38Å; E106-R110 PolarHBondContact O-N 3.28Å; E106-R110 PolarHBondContact O-NE 3.02Å; E106-R110 IonicContact OE2-NH2 3.76Å; E106-R110 PolarHBondContact OE2-NH2 3.44Å; H107-R110 PolarHBondContact CD2-NH1 3.1Å; H107-R110 PolarHBondContact CE1-NH1 2.9Å; H107-R110 VanDerWaalsContact CG-NH1 3.34Å; H107-R110 PolarHBondContact NE2-NH1 3.16Å; H107-R110 VanDerWaalsContact NE2-NH1 3.18Å; H107-R110 PolarHBondContact O-N 3.18Å; R110-L112 VanDerWaalsContact C-N 3.27Å; R110-L112 PolarHBondContact O-N 3.34Å; R110-N113 WeakPolarHBondContact O-CA 3.22Å; R110-N113 WeakPolarHBondContact O-CB 3.4Å; R110-N113 PolarHBondContact O-N 3.38Å; R110-D114 PolarHBondContact O-N 3.33Å |
| 111 | E | 97.3 | Very high | 95.9 | Very high | 125 Ų | 125 | 102.4 Ų | 102.4 | 58% | 0.584 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -54.6 | -40.5 | 176.3 | -65.1 | -81.3 | 162.3 | 0 | 0 | 112.4 | H107 N113 D114 L115 | H107-E111 VanDerWaalsContact O-CG 3.28Å; H107-E111 WeakPolarHBondContact O-CG 3.28Å; H107-E111 PolarHBondContact O-N 2.8Å; E111-N113 VanDerWaalsContact C-N 3.35Å; E111-N113 PolarHBondContact O-N 3.47Å; E111-D114 PolarHBondContact O-N 2.89Å; E111-L115 WeakPolarHBondContact O-CB 3.43Å; E111-L115 VanDerWaalsContact O-CG 3.22Å; E111-L115 WeakPolarHBondContact O-CG 3.32Å; E111-L115 PolarHBondContact O-N 2.92Å |
| 112 | L | 97.6 | Very high | 96.4 | Very high | 87 Ų | 87 | 97.7 Ų | 97.7 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.7 | -31.5 | 175.8 | -77.3 | 170 | 0 | 0 | 0 | 113.2 | Y108 R110 R116 | Y108-L112 VanDerWaalsContact O-CB 3.26Å; Y108-L112 WeakPolarHBondContact O-CB 3.25Å; Y108-L112 WeakPolarHBondContact O-CD1 3.49Å; Y108-L112 WeakPolarHBondContact O-CG 3.24Å; Y108-L112 PolarHBondContact O-N 3.48Å; R110-L112 VanDerWaalsContact C-N 3.27Å; R110-L112 PolarHBondContact O-N 3.34Å; L112-R116 VanDerWaalsContact O-CD 3.23Å; L112-R116 WeakPolarHBondContact O-CD 3.44Å; L112-R116 WeakPolarHBondContact O-CG 3.4Å; L112-R116 PolarHBondContact O-N 3.41Å; L112-R116 VanDerWaalsContact O-N 3.16Å |
| 113 | N | 97.9 | Very high | 96.8 | Very high | 87 Ų | 87 | 96.8 Ų | 96.8 | 47% | 0.465 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -76.5 | -40 | 175.4 | -71.5 | -23.3 | 0 | 0 | 0 | 111.5 | E109 R110 E111 R116 G117 | E109-N113 WeakPolarHBondContact O-CB 3.49Å; E109-N113 PolarHBondContact O-N 2.81Å; E109-N113 PolarHBondContact O-ND2 3.16Å; R110-N113 WeakPolarHBondContact O-CA 3.22Å; R110-N113 WeakPolarHBondContact O-CB 3.4Å; R110-N113 PolarHBondContact O-N 3.38Å; E111-N113 VanDerWaalsContact C-N 3.35Å; E111-N113 PolarHBondContact O-N 3.47Å; N113-R116 WeakPolarHBondContact O-CB 3.5Å; N113-R116 PolarHBondContact O-N 3.07Å; N113-R116 VanDerWaalsContact O-N 3.16Å; N113-R116 PolarHBondContact OD1-NH1 3.41Å; N113-G117 PolarHBondContact O-N 2.87Å |
| 114 | D | 98 | Very high | 97.1 | Very high | 109 Ų | 109 | 96.2 Ų | 96.2 | 58% | 0.583 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.3 | -42.8 | 175.3 | -61.6 | -32.6 | 0 | 0 | 0 | 110.8 | R110 E111 R116 G117 L118 | R110-D114 PolarHBondContact O-N 3.33Å; E111-D114 PolarHBondContact O-N 2.89Å; D114-R116 VanDerWaalsContact C-N 3.34Å; D114-R116 PolarHBondContact O-N 2.88Å; D114-G117 PolarHBondContact O-N 2.99Å; D114-L118 WeakPolarHBondContact O-CB 3.32Å; D114-L118 PolarHBondContact O-N 2.89Å |
| 115 | L | 97.9 | Very high | 97.3 | Very high | 107 Ų | 107 | 98.2 Ų | 98.2 | 56% | 0.56 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.3 | -33.3 | 172.9 | -73.2 | 170.2 | 0 | 0 | 0 | 113.3 | E111 L119 | E111-L115 WeakPolarHBondContact O-CB 3.43Å; E111-L115 VanDerWaalsContact O-CG 3.22Å; E111-L115 WeakPolarHBondContact O-CG 3.32Å; E111-L115 PolarHBondContact O-N 2.92Å; L115-L119 VanDerWaalsContact O-CB 3.31Å; L115-L119 WeakPolarHBondContact O-CB 3.44Å; L115-L119 PolarHBondContact O-N 3.4Å |
| 116 | R | 98.3 | Very high | 97.5 | Very high | 143 Ų | 143 | 104.6 Ų | 104.6 | 54% | 0.54 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.1 | -43.7 | 172.9 | -75.5 | 160.8 | -176.4 | 151.8 | -0.2 | 111.3 | L112 N113 D114 L119 Q120 | L112-R116 VanDerWaalsContact O-CD 3.23Å; L112-R116 WeakPolarHBondContact O-CD 3.44Å; L112-R116 WeakPolarHBondContact O-CG 3.4Å; L112-R116 PolarHBondContact O-N 3.41Å; L112-R116 VanDerWaalsContact O-N 3.16Å; N113-R116 WeakPolarHBondContact O-CB 3.5Å; N113-R116 PolarHBondContact O-N 3.07Å; N113-R116 VanDerWaalsContact O-N 3.16Å; N113-R116 PolarHBondContact OD1-NH1 3.41Å; D114-R116 VanDerWaalsContact C-N 3.34Å; D114-R116 PolarHBondContact O-N 2.88Å; R116-L119 PolarHBondContact O-N 3.17Å; R116-Q120 WeakPolarHBondContact O-CG 3.32Å; R116-Q120 PolarHBondContact O-N 2.93Å |
| 117 | G | 98.4 | Very high | 97.5 | Very high | 23 Ų | 23 | 104.5 Ų | 104.5 | 24% | 0.237 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -61 | -47 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N113 D114 L119 Q120 Q121 | N113-G117 PolarHBondContact O-N 2.87Å; D114-G117 PolarHBondContact O-N 2.99Å; G117-L119 VanDerWaalsContact C-N 3.34Å; G117-L119 PolarHBondContact O-N 3.31Å; G117-Q120 WeakPolarHBondContact O-CB 3.47Å; G117-Q120 PolarHBondContact O-N 3.28Å; G117-Q121 WeakPolarHBondContact O-CG 3.31Å; G117-Q121 PolarHBondContact O-N 3.21Å |
| 118 | L | 98.5 | Very high | 97.6 | Very high | 84 Ų | 84 | 107.7 Ų | 107.7 | 44% | 0.44 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 174.8 | -177.9 | 62.5 | 0 | 0 | 0 | 112.1 | D114 Q121 L122 | D114-L118 WeakPolarHBondContact O-CB 3.32Å; D114-L118 PolarHBondContact O-N 2.89Å; L118-Q121 PolarHBondContact O-N 2.95Å; L118-L122 HydrophobicContact CD1-CD1 4.15Å; L118-L122 HydrophobicContact CD1-CG 4.19Å; L118-L122 HydrophobicContact CG-CD1 3.95Å; L118-L122 HydrophobicContact CG-CG 4.41Å; L118-L122 WeakPolarHBondContact O-CB 3.25Å; L118-L122 VanDerWaalsContact O-CG 3.28Å; L118-L122 WeakPolarHBondContact O-CG 3.37Å; L118-L122 PolarHBondContact O-N 2.85Å |
| 119 | L | 98.3 | Very high | 97.6 | Very high | 114 Ų | 114 | 102.9 Ų | 102.9 | 60% | 0.597 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.5 | -38.1 | 175.7 | -174.2 | 150.1 | 0 | 0 | 0 | 111.9 | L115 R116 G117 T123 | L115-L119 VanDerWaalsContact O-CB 3.31Å; L115-L119 WeakPolarHBondContact O-CB 3.44Å; L115-L119 PolarHBondContact O-N 3.4Å; R116-L119 PolarHBondContact O-N 3.17Å; G117-L119 VanDerWaalsContact C-N 3.34Å; G117-L119 PolarHBondContact O-N 3.31Å; L119-T123 VanDerWaalsContact O-CB 3.3Å; L119-T123 WeakPolarHBondContact O-CB 3.46Å; L119-T123 PolarHBondContact O-N 3.4Å; L119-T123 PolarHBondContact O-OG1 2.88Å |
| 120 | Q | 98.2 | Very high | 97.5 | Very high | 142 Ų | 142 | 99 Ų | 99 | 66% | 0.664 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66 | -44.7 | 173.8 | -74.4 | 173.7 | -27.9 | 0 | 0 | 111.6 | R116 G117 T123 G124 | R116-Q120 WeakPolarHBondContact O-CG 3.32Å; R116-Q120 PolarHBondContact O-N 2.93Å; G117-Q120 WeakPolarHBondContact O-CB 3.47Å; G117-Q120 PolarHBondContact O-N 3.28Å; Q120-T123 PolarHBondContact O-N 3.06Å; Q120-G124 PolarHBondContact O-N 3.09Å |
| 121 | Q | 98.3 | Very high | 97.3 | Very high | 121 Ų | 121 | 99.4 Ų | 99.4 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.5 | -54.4 | 175.2 | -73.5 | 168.6 | -13.7 | 0 | 0 | 111.4 | G117 L118 T123 G124 E125 | G117-Q121 WeakPolarHBondContact O-CG 3.31Å; G117-Q121 PolarHBondContact O-N 3.21Å; L118-Q121 PolarHBondContact O-N 2.95Å; Q121-T123 PolarHBondContact O-N 3.09Å; Q121-G124 WeakPolarHBondContact O-CA 3.42Å; Q121-G124 PolarHBondContact O-N 3.48Å; Q121-E125 WeakPolarHBondContact O-CG 3.3Å; Q121-E125 PolarHBondContact O-N 3.02Å |
| 122 | L | 98.1 | Very high | 97.2 | Very high | 93 Ų | 93 | 97.6 Ų | 97.6 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.7 | -30.2 | 177.3 | -70.5 | 170.4 | 0 | 0 | 0 | 112.9 | L118 K126 | L118-L122 HydrophobicContact CD1-CD1 4.15Å; L118-L122 HydrophobicContact CD1-CG 4.19Å; L118-L122 HydrophobicContact CG-CD1 3.95Å; L118-L122 HydrophobicContact CG-CG 4.41Å; L118-L122 WeakPolarHBondContact O-CB 3.25Å; L118-L122 VanDerWaalsContact O-CG 3.28Å; L118-L122 WeakPolarHBondContact O-CG 3.37Å; L118-L122 PolarHBondContact O-N 2.85Å; L122-K126 WeakPolarHBondContact O-CB 3.49Å; L122-K126 PolarHBondContact O-N 2.94Å |
| 123 | T | 98 | Very high | 97 | Very high | 74 Ų | 74 | 98.6 Ų | 98.6 | 45% | 0.454 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.7 | -44.2 | 173.4 | -59.1 | 0 | 0 | 0 | 0 | 110.9 | L119 Q120 Q121 K126 T127 | L119-T123 VanDerWaalsContact O-CB 3.3Å; L119-T123 WeakPolarHBondContact O-CB 3.46Å; L119-T123 PolarHBondContact O-N 3.4Å; L119-T123 PolarHBondContact O-OG1 2.88Å; Q120-T123 PolarHBondContact O-N 3.06Å; Q121-T123 PolarHBondContact O-N 3.09Å; T123-K126 PolarHBondContact O-N 3.32Å; T123-T127 PolarHBondContact O-N 2.73Å; T123-T127 PolarHBondContact O-OG1 2.65Å; T123-T127 VanDerWaalsContact O-OG1 3.13Å |
| 124 | G | 98.2 | Very high | 96.8 | Very high | 35 Ų | 35 | 99.5 Ų | 99.5 | 36% | 0.361 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -47.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q120 Q121 K126 T127 R128 | Q120-G124 PolarHBondContact O-N 3.09Å; Q121-G124 WeakPolarHBondContact O-CA 3.42Å; Q121-G124 PolarHBondContact O-N 3.48Å; G124-K126 VanDerWaalsContact C-N 3.33Å; G124-K126 PolarHBondContact O-N 2.71Å; G124-T127 WeakPolarHBondContact CA-OG1 3.33Å; G124-T127 PolarHBondContact O-N 3.44Å; G124-T127 PolarHBondContact O-OG1 3.34Å; G124-R128 WeakPolarHBondContact O-CB 3.25Å; G124-R128 PolarHBondContact O-N 3.03Å |
| 125 | E | 98 | Very high | 96.5 | Very high | 121 Ų | 121 | 99.3 Ų | 99.3 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -57.9 | -44.2 | 173 | -72 | 175.2 | 179.7 | 0 | 0 | 111.4 | Q121 R128 A129 | Q121-E125 WeakPolarHBondContact O-CG 3.3Å; Q121-E125 PolarHBondContact O-N 3.02Å; E125-R128 PolarHBondContact O-N 2.78Å; E125-A129 WeakPolarHBondContact O-CB 3.33Å; E125-A129 PolarHBondContact O-N 2.82Å |
| 126 | K | 97.4 | Very high | 96.2 | Very high | 162 Ų | 162 | 99.1 Ų | 99.1 | 70% | 0.704 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.3 | -43.1 | 175.8 | -177 | -174.2 | 174.5 | -169.2 | 0 | 112.4 | L122 T123 G124 R128 A130 | L122-K126 WeakPolarHBondContact O-CB 3.49Å; L122-K126 PolarHBondContact O-N 2.94Å; T123-K126 PolarHBondContact O-N 3.32Å; G124-K126 VanDerWaalsContact C-N 3.33Å; G124-K126 PolarHBondContact O-N 2.71Å; K126-R128 VanDerWaalsContact C-N 3.33Å; K126-A130 WeakPolarHBondContact O-CB 3.41Å; K126-A130 PolarHBondContact O-N 2.87Å |
| 127 | T | 95.6 | Very high | 95.9 | Very high | 83 Ų | 83 | 97 Ų | 97 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.1 | -36.9 | 176.1 | 44.6 | 0 | 0 | 0 | 0 | 111.9 | T123 G124 A130 L131 | T123-T127 PolarHBondContact O-N 2.73Å; T123-T127 PolarHBondContact O-OG1 2.65Å; T123-T127 VanDerWaalsContact O-OG1 3.13Å; G124-T127 WeakPolarHBondContact CA-OG1 3.33Å; G124-T127 PolarHBondContact O-N 3.44Å; G124-T127 PolarHBondContact O-OG1 3.34Å; T127-A130 PolarHBondContact O-N 3.47Å; T127-L131 WeakPolarHBondContact O-CG 3.27Å; T127-L131 PolarHBondContact O-N 3.03Å; T127-L131 VanDerWaalsContact O-N 3.09Å |
| 128 | R | 97.1 | Very high | 95.6 | Very high | 163 Ų | 163 | 101 Ų | 101 | 62% | 0.615 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.9 | -49.3 | 175 | -176.7 | -178.2 | 176.3 | 98.7 | 24.5 | 111.4 | G124 E125 K126 A130 L131 E132 | G124-R128 WeakPolarHBondContact O-CB 3.25Å; G124-R128 PolarHBondContact O-N 3.03Å; E125-R128 PolarHBondContact O-N 2.78Å; K126-R128 VanDerWaalsContact C-N 3.33Å; R128-A130 PolarHBondContact O-N 2.9Å; R128-L131 PolarHBondContact O-N 2.99Å; R128-E132 HydrophobicContact CG-CG 4.46Å; R128-E132 IonicContact CZ-OE1 3.03Å; R128-E132 IonicContact NE-OE1 3.17Å; R128-E132 PolarHBondContact NE-OE1 2.83Å; R128-E132 IonicContact NH2-OE1 2.74Å; R128-E132 PolarHBondContact NH2-OE1 3.5Å; R128-E132 WeakPolarHBondContact O-CB 3.17Å; R128-E132 WeakPolarHBondContact O-CG 3.2Å; R128-E132 PolarHBondContact O-N 3.34Å |
| 129 | A | 94.4 | Very high | 95.3 | Very high | 56 Ų | 56 | 100.5 Ų | 100.5 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.4 | -27.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | E125 H133 | E125-A129 WeakPolarHBondContact O-CB 3.33Å; E125-A129 PolarHBondContact O-N 2.82Å; A129-H133 WeakPolarHBondContact O-CB 3.44Å; A129-H133 PolarHBondContact O-N 3.49Å |
| 130 | A | 94.1 | Very high | 94.9 | Very high | 43 Ų | 43 | 98.7 Ų | 98.7 | 36% | 0.355 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.7 | -47.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K126 T127 R128 E132 H133 E134 | K126-A130 WeakPolarHBondContact O-CB 3.41Å; K126-A130 PolarHBondContact O-N 2.87Å; T127-A130 PolarHBondContact O-N 3.47Å; R128-A130 PolarHBondContact O-N 2.9Å; A130-E132 VanDerWaalsContact C-N 3.34Å; A130-E132 PolarHBondContact O-N 2.88Å; A130-H133 WeakPolarHBondContact O-CB 3.42Å; A130-H133 PolarHBondContact O-N 3.16Å; A130-H133 VanDerWaalsContact O-N 3.13Å; A130-E134 WeakPolarHBondContact O-CG 3.37Å; A130-E134 PolarHBondContact O-N 3.49Å |
| 131 | L | 94.2 | Very high | 94.5 | Very high | 115 Ų | 115 | 97.1 Ų | 97.1 | 60% | 0.602 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.5 | -39.2 | 175.6 | -67 | 169.3 | 0 | 0 | 0 | 112.1 | T127 R128 H133 E134 H135 | T127-L131 WeakPolarHBondContact O-CG 3.27Å; T127-L131 PolarHBondContact O-N 3.03Å; T127-L131 VanDerWaalsContact O-N 3.09Å; R128-L131 PolarHBondContact O-N 2.99Å; L131-H133 VanDerWaalsContact C-N 3.29Å; L131-H133 PolarHBondContact O-N 3.04Å; L131-E134 PolarHBondContact O-N 2.91Å; L131-H135 WeakPolarHBondContact O-CB 3.37Å; L131-H135 PolarHBondContact O-N 2.85Å |
| 132 | E | 95.2 | Very high | 94 | Very high | 87 Ų | 87 | 96.9 Ų | 96.9 | 41% | 0.407 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.3 | -30.7 | 174.3 | -71.4 | 172.2 | 173 | 0 | 0 | 111.8 | R128 A130 L136 | R128-E132 HydrophobicContact CG-CG 4.46Å; R128-E132 IonicContact CZ-OE1 3.03Å; R128-E132 IonicContact NE-OE1 3.17Å; R128-E132 PolarHBondContact NE-OE1 2.83Å; R128-E132 IonicContact NH2-OE1 2.74Å; R128-E132 PolarHBondContact NH2-OE1 3.5Å; R128-E132 WeakPolarHBondContact O-CB 3.17Å; R128-E132 WeakPolarHBondContact O-CG 3.2Å; R128-E132 PolarHBondContact O-N 3.34Å; A130-E132 VanDerWaalsContact C-N 3.34Å; A130-E132 PolarHBondContact O-N 2.88Å; E132-L136 WeakPolarHBondContact O-CB 3.47Å; E132-L136 WeakPolarHBondContact O-CD1 3.33Å; E132-L136 WeakPolarHBondContact O-CG 3.28Å; E132-L136 PolarHBondContact O-N 3.16Å |
| 133 | H | 92.9 | Very high | 93.5 | Very high | 108 Ų | 108 | 97.9 Ų | 97.9 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -72.3 | -47.3 | 172 | -174.4 | -75 | 0 | 0 | 0 | 112.1 | A129 A130 L131 H135 L136 E137 | A129-H133 WeakPolarHBondContact O-CB 3.44Å; A129-H133 PolarHBondContact O-N 3.49Å; A130-H133 WeakPolarHBondContact O-CB 3.42Å; A130-H133 PolarHBondContact O-N 3.16Å; A130-H133 VanDerWaalsContact O-N 3.13Å; L131-H133 VanDerWaalsContact C-N 3.29Å; L131-H133 PolarHBondContact O-N 3.04Å; H133-H135 PolarHBondContact O-N 3.15Å; H133-L136 PolarHBondContact O-N 3.48Å; H133-E137 IonicContact CE1-OE1 3.45Å; H133-E137 IonicContact CE1-OE2 2.91Å; H133-E137 PolarHBondContact CE1-OE2 2.99Å; H133-E137 IonicContact ND1-OE2 3.08Å; H133-E137 PolarHBondContact ND1-OE2 3.31Å; H133-E137 WeakPolarHBondContact O-CG 3.33Å; H133-E137 PolarHBondContact O-N 3.34Å |
| 134 | E | 93.8 | Very high | 93.1 | Very high | 106 Ų | 106 | 101.7 Ų | 101.7 | 50% | 0.495 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 178.5 | -72.9 | 168.4 | 174.3 | 0 | 0 | 110.8 | A130 L131 L136 E137 E138 | A130-E134 WeakPolarHBondContact O-CG 3.37Å; A130-E134 PolarHBondContact O-N 3.49Å; L131-E134 PolarHBondContact O-N 2.91Å; E134-L136 PolarHBondContact O-N 2.86Å; E134-E137 PolarHBondContact O-N 2.8Å; E134-E137 VanDerWaalsContact O-N 3.12Å; E134-E138 WeakPolarHBondContact O-CG 3.34Å; E134-E138 PolarHBondContact O-N 3.15Å |
| 135 | H | 91.4 | Very high | 92.6 | Very high | 105 Ų | 105 | 103.7 Ų | 103.7 | 49% | 0.486 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 175.1 | 179.5 | 31.7 | 0 | 0 | 0 | 112.9 | L131 H133 E137 E138 D139 | L131-H135 WeakPolarHBondContact O-CB 3.37Å; L131-H135 PolarHBondContact O-N 2.85Å; H133-H135 PolarHBondContact O-N 3.15Å; H135-E137 VanDerWaalsContact C-N 3.33Å; H135-E137 PolarHBondContact O-N 3.31Å; H135-E138 WeakPolarHBondContact O-CB 3.32Å; H135-E138 PolarHBondContact O-N 2.88Å; H135-D139 PolarHBondContact O-N 3.48Å |
| 136 | L | 92.2 | Very high | 92.3 | Very high | 104 Ų | 104 | 106.2 Ų | 106.2 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68 | -31 | 174.8 | -74.3 | 171.2 | 0 | 0 | 0 | 112.5 | E132 H133 E134 I140 | E132-L136 WeakPolarHBondContact O-CB 3.47Å; E132-L136 WeakPolarHBondContact O-CD1 3.33Å; E132-L136 WeakPolarHBondContact O-CG 3.28Å; E132-L136 PolarHBondContact O-N 3.16Å; H133-L136 PolarHBondContact O-N 3.48Å; E134-L136 PolarHBondContact O-N 2.86Å; L136-I140 WeakPolarHBondContact O-CB 3.43Å; L136-I140 WeakPolarHBondContact O-CD1 3.5Å; L136-I140 WeakPolarHBondContact O-CG1 3.47Å; L136-I140 PolarHBondContact O-N 3.46Å |
| 137 | E | 91.8 | Very high | 91.9 | Very high | 98 Ų | 98 | 104.3 Ų | 104.3 | 46% | 0.458 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.8 | -34.3 | 172.5 | -75.5 | -172.3 | 118.5 | 0 | 0 | 112.4 | H133 E134 H135 Q141 | H133-E137 IonicContact CE1-OE1 3.45Å; H133-E137 IonicContact CE1-OE2 2.91Å; H133-E137 PolarHBondContact CE1-OE2 2.99Å; H133-E137 IonicContact ND1-OE2 3.08Å; H133-E137 PolarHBondContact ND1-OE2 3.31Å; H133-E137 WeakPolarHBondContact O-CG 3.33Å; H133-E137 PolarHBondContact O-N 3.34Å; E134-E137 PolarHBondContact O-N 2.8Å; E134-E137 VanDerWaalsContact O-N 3.12Å; H135-E137 VanDerWaalsContact C-N 3.33Å; H135-E137 PolarHBondContact O-N 3.31Å; E137-Q141 WeakPolarHBondContact O-CB 3.39Å; E137-Q141 VanDerWaalsContact O-CG 3.24Å; E137-Q141 WeakPolarHBondContact O-CG 3.48Å; E137-Q141 PolarHBondContact O-N 2.88Å; E137-Q141 PolarHBondContact O-NE2 2.96Å |
| 138 | E | 91.7 | Very high | 91.7 | Very high | 108 Ų | 108 | 105.1 Ų | 105.1 | 51% | 0.505 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65 | -48.9 | 170.7 | -69.9 | 176.6 | 156.2 | 0 | 0 | 111.4 | E134 H135 I140 Q141 H142 | E134-E138 WeakPolarHBondContact O-CG 3.34Å; E134-E138 PolarHBondContact O-N 3.15Å; H135-E138 WeakPolarHBondContact O-CB 3.32Å; H135-E138 PolarHBondContact O-N 2.88Å; E138-I140 VanDerWaalsContact C-N 3.33Å; E138-I140 PolarHBondContact O-N 3.11Å; E138-Q141 CarbonylContact O-C 3.53Å; E138-Q141 WeakPolarHBondContact O-CA 3.44Å; E138-Q141 WeakPolarHBondContact O-CB 3.39Å; E138-Q141 PolarHBondContact O-N 3.3Å; E138-H142 PolarHBondContact O-CD2 2.89Å; E138-H142 VanDerWaalsContact O-CD2 3.24Å; E138-H142 PolarHBondContact O-N 3.27Å |
| 139 | D | 92.4 | Very high | 91.1 | Very high | 72 Ų | 72 | 100.5 Ų | 100.5 | 39% | 0.385 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.7 | -44 | 175.1 | -93.7 | -3.2 | 0 | 0 | 0 | 111.9 | H135 Q141 H142 L143 | H135-D139 PolarHBondContact O-N 3.48Å; D139-Q141 VanDerWaalsContact C-N 3.29Å; D139-Q141 PolarHBondContact O-N 2.99Å; D139-H142 PolarHBondContact O-N 3.16Å; D139-L143 WeakPolarHBondContact O-CB 3.49Å; D139-L143 VanDerWaalsContact O-CG 3.29Å; D139-L143 WeakPolarHBondContact O-CG 3.33Å; D139-L143 PolarHBondContact O-N 3.41Å |
| 140 | I | 89.1 | Confident | 90.9 | Very high | 77 Ų | 77 | 104.4 Ų | 104.4 | 40% | 0.395 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.1 | -35.7 | 175.5 | -74.3 | 166.2 | 0 | 0 | 0 | 111.4 | L136 E138 R144 | L136-I140 WeakPolarHBondContact O-CB 3.43Å; L136-I140 WeakPolarHBondContact O-CD1 3.5Å; L136-I140 WeakPolarHBondContact O-CG1 3.47Å; L136-I140 PolarHBondContact O-N 3.46Å; E138-I140 VanDerWaalsContact C-N 3.33Å; E138-I140 PolarHBondContact O-N 3.11Å; I140-R144 VanDerWaalsContact CG2-CZ 3.47Å; I140-R144 WeakPolarHBondContact O-CB 3.35Å; I140-R144 WeakPolarHBondContact O-CG 3.48Å; I140-R144 PolarHBondContact O-N 3.45Å |
| 141 | Q | 91.5 | Very high | 90.4 | Very high | 109 Ų | 109 | 104.6 Ų | 104.6 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.2 | -45.6 | 174.4 | -75.9 | 168.9 | 89.8 | 0 | 0 | 111.7 | E137 E138 D139 L143 R144 V145 | E137-Q141 WeakPolarHBondContact O-CB 3.39Å; E137-Q141 VanDerWaalsContact O-CG 3.24Å; E137-Q141 WeakPolarHBondContact O-CG 3.48Å; E137-Q141 PolarHBondContact O-N 2.88Å; E137-Q141 PolarHBondContact O-NE2 2.96Å; E138-Q141 CarbonylContact O-C 3.53Å; E138-Q141 WeakPolarHBondContact O-CA 3.44Å; E138-Q141 WeakPolarHBondContact O-CB 3.39Å; E138-Q141 PolarHBondContact O-N 3.3Å; D139-Q141 VanDerWaalsContact C-N 3.29Å; D139-Q141 PolarHBondContact O-N 2.99Å; Q141-L143 VanDerWaalsContact C-N 3.34Å; Q141-L143 PolarHBondContact O-N 2.88Å; Q141-R144 PolarHBondContact O-N 3.05Å; Q141-V145 WeakPolarHBondContact O-CG2 3.44Å; Q141-V145 PolarHBondContact O-N 2.89Å |
| 142 | H | 86.5 | Confident | 89.9 | Confident | 116 Ų | 116 | 104.8 Ų | 104.8 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.1 | -41.6 | 175.4 | -71.3 | -50.7 | 0 | 0 | 0 | 112.4 | E138 D139 V145 R146 | E138-H142 PolarHBondContact O-CD2 2.89Å; E138-H142 VanDerWaalsContact O-CD2 3.24Å; E138-H142 PolarHBondContact O-N 3.27Å; D139-H142 PolarHBondContact O-N 3.16Å; H142-V145 PolarHBondContact O-N 3.15Å; H142-R146 WeakPolarHBondContact O-CG 3.44Å; H142-R146 PolarHBondContact O-N 2.73Å |
| 143 | L | 87.4 | Confident | 89.3 | Confident | 114 Ų | 114 | 104.9 Ų | 104.9 | 60% | 0.597 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.5 | -37.4 | 175.3 | -71.7 | 171.9 | 0 | 0 | 0 | 112.5 | D139 Q141 L147 | D139-L143 WeakPolarHBondContact O-CB 3.49Å; D139-L143 VanDerWaalsContact O-CG 3.29Å; D139-L143 WeakPolarHBondContact O-CG 3.33Å; D139-L143 PolarHBondContact O-N 3.41Å; Q141-L143 VanDerWaalsContact C-N 3.34Å; Q141-L143 PolarHBondContact O-N 2.88Å; L143-L147 WeakPolarHBondContact O-CB 3.29Å; L143-L147 PolarHBondContact O-N 3.2Å |
| 144 | R | 89.5 | Confident | 89.1 | Confident | 154 Ų | 154 | 107.6 Ų | 107.6 | 58% | 0.581 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64 | -46.1 | 173.7 | -76.3 | 168.9 | -173.7 | 169.3 | 7 | 112.1 | I140 Q141 R146 L147 E148 | I140-R144 VanDerWaalsContact CG2-CZ 3.47Å; I140-R144 WeakPolarHBondContact O-CB 3.35Å; I140-R144 WeakPolarHBondContact O-CG 3.48Å; I140-R144 PolarHBondContact O-N 3.45Å; Q141-R144 PolarHBondContact O-N 3.05Å; R144-R146 PolarHBondContact O-N 3.41Å; R144-L147 PolarHBondContact O-N 3.5Å; R144-E148 WeakPolarHBondContact O-CG 3.35Å; R144-E148 PolarHBondContact O-N 2.86Å |
| 145 | V | 87.6 | Confident | 88.9 | Confident | 77 Ų | 77 | 109 Ų | 109 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.9 | -46.5 | 177.7 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | Q141 H142 L147 E148 D149 | Q141-V145 WeakPolarHBondContact O-CG2 3.44Å; Q141-V145 PolarHBondContact O-N 2.89Å; H142-V145 PolarHBondContact O-N 3.15Å; V145-L147 VanDerWaalsContact C-N 3.34Å; V145-L147 PolarHBondContact O-N 3.49Å; V145-E148 PolarHBondContact O-N 3.38Å; V145-D149 PolarHBondContact O-N 2.86Å |
| 146 | R | 92.4 | Very high | 88.7 | Confident | 174 Ų | 174 | 110.4 Ų | 110.4 | 66% | 0.657 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.3 | -41.7 | 175.1 | -72.2 | -179.3 | -175.3 | -168.9 | 4.5 | 112.7 | H142 R144 D149 E150 | H142-R146 WeakPolarHBondContact O-CG 3.44Å; H142-R146 PolarHBondContact O-N 2.73Å; R144-R146 PolarHBondContact O-N 3.41Å; R146-D149 PolarHBondContact O-N 3.15Å; R146-E150 WeakPolarHBondContact O-CB 3.31Å; R146-E150 WeakPolarHBondContact O-CG 3.34Å; R146-E150 PolarHBondContact O-N 2.83Å |
| 147 | L | 89.9 | Confident | 88.5 | Confident | 122 Ų | 122 | 111.3 Ų | 111.3 | 64% | 0.639 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.1 | -40.6 | 176.3 | -172.6 | 102.5 | 0 | 0 | 0 | 112.1 | L143 R144 V145 A151 | L143-L147 WeakPolarHBondContact O-CB 3.29Å; L143-L147 PolarHBondContact O-N 3.2Å; R144-L147 PolarHBondContact O-N 3.5Å; V145-L147 VanDerWaalsContact C-N 3.34Å; V145-L147 PolarHBondContact O-N 3.49Å; L147-A151 WeakPolarHBondContact O-CB 3.22Å; L147-A151 PolarHBondContact O-N 3.07Å |
| 148 | E | 90.4 | Very high | 88.5 | Confident | 99 Ų | 99 | 110.6 Ų | 110.6 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.9 | -40.5 | 174.6 | -72.7 | -177.1 | -160.7 | 0 | 0 | 112.1 | R144 V145 A151 R152 | R144-E148 WeakPolarHBondContact O-CG 3.35Å; R144-E148 PolarHBondContact O-N 2.86Å; V145-E148 PolarHBondContact O-N 3.38Å; E148-A151 PolarHBondContact O-N 3.34Å; E148-R152 VanDerWaalsContact O-CG 3.26Å; E148-R152 WeakPolarHBondContact O-CG 3.42Å; E148-R152 PolarHBondContact O-N 2.92Å; E148-R152 IonicContact OE2-CZ 3.48Å; E148-R152 IonicContact OE2-NH1 2.71Å; E148-R152 IonicContact OE2-NH2 3.3Å; E148-R152 PolarHBondContact OE2-NH2 3.1Å |
| 149 | D | 84.4 | Confident | 88.4 | Confident | 67 Ų | 67 | 107.6 Ų | 107.6 | 36% | 0.358 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.6 | -39.2 | 177.1 | -70.1 | -27.9 | 0 | 0 | 0 | 112.2 | V145 R146 A151 R152 N153 | V145-D149 PolarHBondContact O-N 2.86Å; R146-D149 PolarHBondContact O-N 3.15Å; D149-A151 VanDerWaalsContact C-N 3.3Å; D149-A151 PolarHBondContact O-N 2.99Å; D149-R152 PolarHBondContact O-N 2.96Å; D149-R152 IonicContact OD1-CZ 3.75Å; D149-R152 IonicContact OD1-NH1 2.73Å; D149-R152 PolarHBondContact OD1-NH1 2.95Å; D149-N153 VanDerWaalsContact O-CB 3.31Å; D149-N153 WeakPolarHBondContact O-CB 3.48Å; D149-N153 PolarHBondContact O-N 3.32Å; D149-N153 PolarHBondContact O-ND2 3.48Å |
| 150 | E | 90.5 | Very high | 88.3 | Confident | 138 Ų | 138 | 106.4 Ų | 106.4 | 65% | 0.645 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.2 | -38.1 | 169.8 | -77.6 | -177.2 | -168.3 | 0 | 0 | 111.9 | R146 R154 | R146-E150 WeakPolarHBondContact O-CB 3.31Å; R146-E150 WeakPolarHBondContact O-CG 3.34Å; R146-E150 PolarHBondContact O-N 2.83Å; E150-R154 VanDerWaalsContact O-CB 3.26Å; E150-R154 WeakPolarHBondContact O-CB 3.46Å; E150-R154 PolarHBondContact O-N 2.92Å |
| 151 | A | 83.1 | Confident | 88.4 | Confident | 46 Ų | 46 | 104.8 Ų | 104.8 | 38% | 0.38 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.8 | -45.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L147 E148 D149 R154 E155 | L147-A151 WeakPolarHBondContact O-CB 3.22Å; L147-A151 PolarHBondContact O-N 3.07Å; E148-A151 PolarHBondContact O-N 3.34Å; D149-A151 VanDerWaalsContact C-N 3.3Å; D149-A151 PolarHBondContact O-N 2.99Å; A151-R154 WeakPolarHBondContact O-CB 3.5Å; A151-R154 PolarHBondContact O-N 2.71Å; A151-E155 PolarHBondContact O-N 2.81Å |
| 152 | R | 83.6 | Confident | 88.6 | Confident | 120 Ų | 120 | 106.6 Ų | 106.6 | 45% | 0.453 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.7 | -52.4 | 174 | -70.5 | 162.9 | -173.2 | 130.1 | 13.4 | 111.2 | E148 D149 R154 E155 E156 | E148-R152 VanDerWaalsContact O-CG 3.26Å; E148-R152 WeakPolarHBondContact O-CG 3.42Å; E148-R152 PolarHBondContact O-N 2.92Å; E148-R152 IonicContact OE2-CZ 3.48Å; E148-R152 IonicContact OE2-NH1 2.71Å; E148-R152 IonicContact OE2-NH2 3.3Å; E148-R152 PolarHBondContact OE2-NH2 3.1Å; D149-R152 PolarHBondContact O-N 2.96Å; D149-R152 IonicContact OD1-CZ 3.75Å; D149-R152 IonicContact OD1-NH1 2.73Å; D149-R152 PolarHBondContact OD1-NH1 2.95Å; R152-R154 VanDerWaalsContact C-N 3.26Å; R152-R154 PolarHBondContact O-N 2.89Å; R152-E155 PolarHBondContact O-N 2.84Å; R152-E155 VanDerWaalsContact O-N 3.12Å; R152-E156 PolarHBondContact O-N 3.34Å |
| 153 | N | 84.3 | Confident | 89 | Confident | 89 Ų | 89 | 103.8 Ų | 103.8 | 48% | 0.476 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.3 | -39.5 | 176.9 | -74.1 | -46.6 | 0 | 0 | 0 | 111.9 | D149 L157 | D149-N153 VanDerWaalsContact O-CB 3.31Å; D149-N153 WeakPolarHBondContact O-CB 3.48Å; D149-N153 PolarHBondContact O-N 3.32Å; D149-N153 PolarHBondContact O-ND2 3.48Å; N153-L157 WeakPolarHBondContact O-CB 3.37Å; N153-L157 VanDerWaalsContact O-CG 3.26Å; N153-L157 WeakPolarHBondContact O-CG 3.23Å; N153-L157 PolarHBondContact O-N 2.91Å |
| 154 | R | 88.4 | Confident | 89.3 | Confident | 164 Ų | 164 | 104.8 Ų | 104.8 | 62% | 0.619 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.7 | -46.8 | 174.9 | -175.1 | -171.9 | 174.4 | 98.7 | 15.6 | 111.9 | E150 A151 R152 E156 L157 E158 | E150-R154 VanDerWaalsContact O-CB 3.26Å; E150-R154 WeakPolarHBondContact O-CB 3.46Å; E150-R154 PolarHBondContact O-N 2.92Å; A151-R154 WeakPolarHBondContact O-CB 3.5Å; A151-R154 PolarHBondContact O-N 2.71Å; R152-R154 VanDerWaalsContact C-N 3.26Å; R152-R154 PolarHBondContact O-N 2.89Å; R154-E156 VanDerWaalsContact C-N 3.31Å; R154-E156 PolarHBondContact O-N 3.15Å; R154-L157 PolarHBondContact O-N 3.24Å; R154-E158 HydrophobicContact CG-CG 4.46Å; R154-E158 IonicContact CZ-OE1 2.65Å; R154-E158 IonicContact NE-OE1 2.88Å; R154-E158 PolarHBondContact NE-OE1 3.08Å; R154-E158 IonicContact NH2-OE1 3.17Å; R154-E158 PolarHBondContact NH2-OE1 3.26Å; R154-E158 WeakPolarHBondContact O-CB 3.34Å; R154-E158 WeakPolarHBondContact O-CG 3.45Å; R154-E158 PolarHBondContact O-N 3.45Å |
| 155 | E | 89.3 | Confident | 89.7 | Confident | 137 Ų | 137 | 104.6 Ų | 104.6 | 64% | 0.64 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.9 | -39.1 | 179 | -74.9 | -174.1 | -171 | 0 | 0 | 112.1 | A151 R152 E158 A159 | A151-E155 PolarHBondContact O-N 2.81Å; R152-E155 PolarHBondContact O-N 2.84Å; R152-E155 VanDerWaalsContact O-N 3.12Å; E155-E158 PolarHBondContact O-N 2.83Å; E155-A159 WeakPolarHBondContact O-CB 3.49Å; E155-A159 PolarHBondContact O-N 3.3Å |
| 156 | E | 86.3 | Confident | 90.2 | Very high | 133 Ų | 133 | 107.7 Ų | 107.7 | 62% | 0.621 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.9 | -47 | 173.4 | -72.1 | -173.9 | -169 | 0 | 0 | 112.2 | R152 R154 E158 A159 A160 | R152-E156 PolarHBondContact O-N 3.34Å; R154-E156 VanDerWaalsContact C-N 3.31Å; R154-E156 PolarHBondContact O-N 3.15Å; E156-E158 VanDerWaalsContact C-N 3.34Å; E156-E158 PolarHBondContact O-N 3.46Å; E156-A159 WeakPolarHBondContact O-CB 3.43Å; E156-A159 PolarHBondContact O-N 2.99Å; E156-A159 VanDerWaalsContact O-N 3.15Å; E156-A160 WeakPolarHBondContact O-CB 3.32Å; E156-A160 PolarHBondContact O-N 2.97Å |
| 157 | L | 87.8 | Confident | 90.4 | Very high | 123 Ų | 123 | 106.7 Ų | 106.7 | 64% | 0.644 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.7 | -38 | 175.7 | -71.8 | 170.9 | 0 | 0 | 0 | 112.1 | N153 R154 A160 A161 | N153-L157 WeakPolarHBondContact O-CB 3.37Å; N153-L157 VanDerWaalsContact O-CG 3.26Å; N153-L157 WeakPolarHBondContact O-CG 3.23Å; N153-L157 PolarHBondContact O-N 2.91Å; R154-L157 PolarHBondContact O-N 3.24Å; L157-A160 PolarHBondContact O-N 3.12Å; L157-A161 VanDerWaalsContact O-CB 3.27Å; L157-A161 WeakPolarHBondContact O-CB 3.48Å; L157-A161 PolarHBondContact O-N 3.3Å |
| 158 | E | 91.6 | Very high | 90.8 | Very high | 84 Ų | 84 | 105.1 Ų | 105.1 | 39% | 0.393 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.4 | -31.8 | 173.1 | -75.6 | -169.5 | -166.1 | 0 | 0 | 112.4 | R154 E155 E156 R162 | R154-E158 HydrophobicContact CG-CG 4.46Å; R154-E158 IonicContact CZ-OE1 2.65Å; R154-E158 IonicContact NE-OE1 2.88Å; R154-E158 PolarHBondContact NE-OE1 3.08Å; R154-E158 IonicContact NH2-OE1 3.17Å; R154-E158 PolarHBondContact NH2-OE1 3.26Å; R154-E158 WeakPolarHBondContact O-CB 3.34Å; R154-E158 WeakPolarHBondContact O-CG 3.45Å; R154-E158 PolarHBondContact O-N 3.45Å; E155-E158 PolarHBondContact O-N 2.83Å; E156-E158 VanDerWaalsContact C-N 3.34Å; E156-E158 PolarHBondContact O-N 3.46Å; E158-R162 WeakPolarHBondContact O-CB 3.48Å; E158-R162 VanDerWaalsContact O-CG 3.23Å; E158-R162 WeakPolarHBondContact O-CG 3.36Å; E158-R162 PolarHBondContact O-N 3.47Å; E158-R162 PolarHBondContact O-NE 3.42Å |
| 159 | A | 89.6 | Confident | 91.2 | Very high | 45 Ų | 45 | 104.5 Ų | 104.5 | 37% | 0.372 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.1 | -46.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E155 E156 A161 R162 A163 | E155-A159 WeakPolarHBondContact O-CB 3.49Å; E155-A159 PolarHBondContact O-N 3.3Å; E156-A159 WeakPolarHBondContact O-CB 3.43Å; E156-A159 PolarHBondContact O-N 2.99Å; E156-A159 VanDerWaalsContact O-N 3.15Å; A159-A161 PolarHBondContact O-N 2.89Å; A159-R162 WeakPolarHBondContact O-CB 3.5Å; A159-R162 PolarHBondContact O-N 2.83Å; A159-A163 PolarHBondContact O-N 3.45Å |
| 160 | A | 91.6 | Very high | 91.9 | Very high | 46 Ų | 46 | 106.3 Ų | 106.3 | 38% | 0.38 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E156 L157 R162 A163 M164 | E156-A160 WeakPolarHBondContact O-CB 3.32Å; E156-A160 PolarHBondContact O-N 2.97Å; L157-A160 PolarHBondContact O-N 3.12Å; A160-R162 VanDerWaalsContact C-N 3.33Å; A160-R162 PolarHBondContact O-N 2.64Å; A160-A163 WeakPolarHBondContact O-CB 3.16Å; A160-A163 PolarHBondContact O-N 3.09Å; A160-A163 VanDerWaalsContact O-N 3.15Å; A160-M164 WeakPolarHBondContact O-CG 3.25Å; A160-M164 PolarHBondContact O-N 2.92Å |
| 161 | A | 90.4 | Very high | 92.2 | Very high | 43 Ų | 43 | 102.2 Ų | 102.2 | 36% | 0.355 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.6 | -35.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L157 A159 K165 | L157-A161 VanDerWaalsContact O-CB 3.27Å; L157-A161 WeakPolarHBondContact O-CB 3.48Å; L157-A161 PolarHBondContact O-N 3.3Å; A159-A161 PolarHBondContact O-N 2.89Å; A161-K165 WeakPolarHBondContact O-CB 3.49Å; A161-K165 VanDerWaalsContact O-CG 3.25Å; A161-K165 WeakPolarHBondContact O-CG 3.43Å; A161-K165 PolarHBondContact O-N 3.46Å; A161-K165 VanDerWaalsContact O-N 3.07Å |
| 162 | R | 95.9 | Very high | 93 | Very high | 148 Ų | 148 | 104.7 Ų | 104.7 | 56% | 0.558 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.5 | -39.1 | 171.8 | -78.2 | 174.3 | -70.3 | 168.8 | -2.6 | 111.9 | E158 A159 A160 K165 K166 | E158-R162 WeakPolarHBondContact O-CB 3.48Å; E158-R162 VanDerWaalsContact O-CG 3.23Å; E158-R162 WeakPolarHBondContact O-CG 3.36Å; E158-R162 PolarHBondContact O-N 3.47Å; E158-R162 PolarHBondContact O-NE 3.42Å; A159-R162 WeakPolarHBondContact O-CB 3.5Å; A159-R162 PolarHBondContact O-N 2.83Å; A160-R162 VanDerWaalsContact C-N 3.33Å; A160-R162 PolarHBondContact O-N 2.64Å; R162-K165 PolarHBondContact O-N 2.92Å; R162-K166 PolarHBondContact O-N 3.24Å; R162-K166 VanDerWaalsContact O-N 3.16Å |
| 163 | A | 94.1 | Very high | 93.7 | Very high | 56 Ų | 56 | 103.3 Ų | 103.3 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.8 | -46.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A159 A160 K165 K166 Y167 | A159-A163 PolarHBondContact O-N 3.45Å; A160-A163 WeakPolarHBondContact O-CB 3.16Å; A160-A163 PolarHBondContact O-N 3.09Å; A160-A163 VanDerWaalsContact O-N 3.15Å; A163-K165 VanDerWaalsContact C-N 3.32Å; A163-K165 PolarHBondContact O-N 3.28Å; A163-K166 WeakPolarHBondContact O-CB 3.44Å; A163-K166 PolarHBondContact O-N 2.85Å; A163-K166 VanDerWaalsContact O-N 3.16Å; A163-Y167 PolarHBondContact O-N 2.71Å |
| 164 | M | 94.5 | Very high | 94.3 | Very high | 135 Ų | 135 | 102.5 Ų | 102.5 | 67% | 0.665 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.8 | -39.7 | 175.3 | -70.6 | -176.7 | -179.9 | 0 | 0 | 112.3 | A160 K166 Y167 V168 | A160-M164 WeakPolarHBondContact O-CG 3.25Å; A160-M164 PolarHBondContact O-N 2.92Å; M164-K166 PolarHBondContact O-N 2.99Å; M164-Y167 PolarHBondContact O-N 3.5Å; M164-V168 WeakPolarHBondContact O-CG2 3.37Å; M164-V168 PolarHBondContact O-N 3.24Å |
| 165 | K | 97.5 | Very high | 94.8 | Very high | 150 Ų | 150 | 101.8 Ų | 101.8 | 65% | 0.652 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.9 | -40.9 | 174.6 | -77 | 170.8 | -178.6 | 177.9 | 0 | 112.7 | A161 R162 A163 V168 E169 | A161-K165 WeakPolarHBondContact O-CB 3.49Å; A161-K165 VanDerWaalsContact O-CG 3.25Å; A161-K165 WeakPolarHBondContact O-CG 3.43Å; A161-K165 PolarHBondContact O-N 3.46Å; A161-K165 VanDerWaalsContact O-N 3.07Å; R162-K165 PolarHBondContact O-N 2.92Å; A163-K165 VanDerWaalsContact C-N 3.32Å; A163-K165 PolarHBondContact O-N 3.28Å; K165-V168 PolarHBondContact O-N 2.96Å; K165-E169 PolarHBondContact O-N 2.93Å; K165-E169 VanDerWaalsContact O-N 3.15Å |
| 166 | K | 98.1 | Very high | 95.2 | Very high | 143 Ų | 143 | 98.4 Ų | 98.4 | 62% | 0.622 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.4 | -48.9 | 173.6 | -71.9 | -179.8 | 176.3 | -174.4 | 0 | 111.5 | R162 A163 M164 V168 E169 E170 | R162-K166 PolarHBondContact O-N 3.24Å; R162-K166 VanDerWaalsContact O-N 3.16Å; A163-K166 WeakPolarHBondContact O-CB 3.44Å; A163-K166 PolarHBondContact O-N 2.85Å; A163-K166 VanDerWaalsContact O-N 3.16Å; M164-K166 PolarHBondContact O-N 2.99Å; K166-V168 VanDerWaalsContact C-N 3.31Å; K166-V168 PolarHBondContact O-N 3.34Å; K166-E169 CarbonylContact O-C 3.56Å; K166-E169 WeakPolarHBondContact O-CA 3.5Å; K166-E169 WeakPolarHBondContact O-CB 3.38Å; K166-E169 PolarHBondContact O-N 3.2Å; K166-E170 WeakPolarHBondContact O-CG 3.39Å; K166-E170 PolarHBondContact O-N 2.7Å |
| 167 | Y | 97.8 | Very high | 95.8 | Very high | 153 Ų | 153 | 96.7 Ų | 96.7 | 60% | 0.6 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -58.7 | -40.3 | 178.2 | -176.7 | -103.9 | 0 | 0 | 0 | 112.5 | A163 M164 E169 E170 C171 | A163-Y167 PolarHBondContact O-N 2.71Å; M164-Y167 PolarHBondContact O-N 3.5Å; Y167-E169 PolarHBondContact O-N 2.93Å; Y167-E170 PolarHBondContact O-N 2.88Å; Y167-C171 WeakPolarHBondContact O-CB 3.43Å; Y167-C171 PolarHBondContact O-N 3.45Å; Y167-C171 PolarHBondContact O-SG 2.92Å |
| 168 | V | 98.4 | Very high | 96.3 | Very high | 89 Ų | 89 | 96 Ų | 96 | 54% | 0.539 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 173.9 | 167.8 | 0 | 0 | 0 | 0 | 112 | M164 K165 K166 C171 R172 | M164-V168 WeakPolarHBondContact O-CG2 3.37Å; M164-V168 PolarHBondContact O-N 3.24Å; K165-V168 PolarHBondContact O-N 2.96Å; K166-V168 VanDerWaalsContact C-N 3.31Å; K166-V168 PolarHBondContact O-N 3.34Å; V168-C171 PolarHBondContact O-N 3.33Å; V168-R172 WeakPolarHBondContact O-CB 3.34Å; V168-R172 PolarHBondContact O-N 3.37Å |
| 169 | E | 98.3 | Very high | 96.6 | Very high | 85 Ų | 85 | 94.2 Ų | 94.2 | 40% | 0.397 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69 | -37.3 | 175.2 | -73.8 | -63.1 | 119 | 0 | 0 | 112.6 | K165 K166 Y167 R172 L173 | K165-E169 PolarHBondContact O-N 2.93Å; K165-E169 VanDerWaalsContact O-N 3.15Å; K166-E169 CarbonylContact O-C 3.56Å; K166-E169 WeakPolarHBondContact O-CA 3.5Å; K166-E169 WeakPolarHBondContact O-CB 3.38Å; K166-E169 PolarHBondContact O-N 3.2Å; Y167-E169 PolarHBondContact O-N 2.93Å; E169-R172 VanDerWaalsContact CD-NE 3.33Å; E169-R172 WeakPolarHBondContact O-CB 3.25Å; E169-R172 PolarHBondContact O-N 3.4Å; E169-R172 IonicContact OE1-NE 3.33Å; E169-R172 PolarHBondContact OE1-NE 2.84Å; E169-R172 VanDerWaalsContact OE1-NE 3.09Å; E169-R172 IonicContact OE2-CZ 2.73Å; E169-R172 IonicContact OE2-NE 2.72Å; E169-R172 PolarHBondContact OE2-NE 2.86Å; E169-R172 IonicContact OE2-NH2 3.89Å; E169-R172 PolarHBondContact OE2-NH2 2.84Å; E169-L173 WeakPolarHBondContact O-CB 3.37Å; E169-L173 WeakPolarHBondContact O-CG 3.5Å; E169-L173 PolarHBondContact O-N 3.15Å |
| 170 | E | 98.2 | Very high | 97.1 | Very high | 105 Ų | 105 | 98.8 Ų | 98.8 | 49% | 0.491 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 173 | -70.2 | 157.5 | -155.7 | 0 | 0 | 111.4 | K166 Y167 R172 L173 T174 | K166-E170 WeakPolarHBondContact O-CG 3.39Å; K166-E170 PolarHBondContact O-N 2.7Å; Y167-E170 PolarHBondContact O-N 2.88Å; E170-R172 VanDerWaalsContact C-N 3.32Å; E170-R172 PolarHBondContact O-N 3.35Å; E170-L173 PolarHBondContact O-N 3.02Å; E170-T174 WeakPolarHBondContact O-CB 3.45Å; E170-T174 WeakPolarHBondContact O-CG2 3.34Å; E170-T174 PolarHBondContact O-N 2.86Å; E170-T174 PolarHBondContact O-OG1 2.91Å |
| 171 | C | 98 | Very high | 97.4 | Very high | 53 Ų | 53 | 102 Ų | 102 | 36% | 0.358 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.2 | -36.1 | 169.6 | -70.6 | 0 | 0 | 0 | 0 | 112.5 | Y167 V168 T174 R175 | Y167-C171 WeakPolarHBondContact O-CB 3.43Å; Y167-C171 PolarHBondContact O-N 3.45Å; Y167-C171 PolarHBondContact O-SG 2.92Å; V168-C171 PolarHBondContact O-N 3.33Å; C171-T174 WeakPolarHBondContact CA-OG1 3.42Å; C171-T174 PolarHBondContact O-OG1 3.48Å; C171-R175 VanDerWaalsContact O-CB 3.32Å; C171-R175 WeakPolarHBondContact O-CB 3.08Å; C171-R175 PolarHBondContact O-N 3.06Å |
| 172 | R | 98.6 | Very high | 97.8 | Very high | 97 Ų | 97 | 104.5 Ų | 104.5 | 37% | 0.366 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.1 | -39.3 | 177.3 | -168.7 | -174.6 | 65.4 | 68.2 | 3.8 | 112 | V168 E169 E170 L176 | V168-R172 WeakPolarHBondContact O-CB 3.34Å; V168-R172 PolarHBondContact O-N 3.37Å; E169-R172 VanDerWaalsContact CD-NE 3.33Å; E169-R172 WeakPolarHBondContact O-CB 3.25Å; E169-R172 PolarHBondContact O-N 3.4Å; E169-R172 IonicContact OE1-NE 3.33Å; E169-R172 PolarHBondContact OE1-NE 2.84Å; E169-R172 VanDerWaalsContact OE1-NE 3.09Å; E169-R172 IonicContact OE2-CZ 2.73Å; E169-R172 IonicContact OE2-NE 2.72Å; E169-R172 PolarHBondContact OE2-NE 2.86Å; E169-R172 IonicContact OE2-NH2 3.89Å; E169-R172 PolarHBondContact OE2-NH2 2.84Å; E170-R172 VanDerWaalsContact C-N 3.32Å; E170-R172 PolarHBondContact O-N 3.35Å; R172-L176 WeakPolarHBondContact O-CB 3.43Å; R172-L176 PolarHBondContact O-N 2.92Å |
| 173 | L | 98.4 | Very high | 97.9 | Very high | 91 Ų | 91 | 103.6 Ų | 103.6 | 48% | 0.476 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.2 | -49.3 | 176 | -73 | 171.7 | 0 | 0 | 0 | 111.5 | E169 E170 R175 L176 E177 | E169-L173 WeakPolarHBondContact O-CB 3.37Å; E169-L173 WeakPolarHBondContact O-CG 3.5Å; E169-L173 PolarHBondContact O-N 3.15Å; E170-L173 PolarHBondContact O-N 3.02Å; L173-R175 VanDerWaalsContact C-N 3.32Å; L173-R175 PolarHBondContact O-N 3.36Å; L173-L176 CarbonylContact O-C 3.59Å; L173-L176 WeakPolarHBondContact O-CA 3.39Å; L173-L176 WeakPolarHBondContact O-CB 3.22Å; L173-L176 PolarHBondContact O-N 3.33Å; L173-E177 PolarHBondContact O-N 3.08Å |
| 174 | T | 98.1 | Very high | 98.1 | Very high | 73 Ų | 73 | 103.4 Ų | 103.4 | 45% | 0.448 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62 | -37.4 | 176.6 | 48.5 | 0 | 0 | 0 | 0 | 112.1 | E170 C171 E177 L178 | E170-T174 WeakPolarHBondContact O-CB 3.45Å; E170-T174 WeakPolarHBondContact O-CG2 3.34Å; E170-T174 PolarHBondContact O-N 2.86Å; E170-T174 PolarHBondContact O-OG1 2.91Å; C171-T174 WeakPolarHBondContact CA-OG1 3.42Å; C171-T174 PolarHBondContact O-OG1 3.48Å; T174-E177 PolarHBondContact O-N 2.91Å; T174-L178 WeakPolarHBondContact O-CG 3.42Å; T174-L178 PolarHBondContact O-N 3.29Å |
| 175 | R | 98.4 | Very high | 98.2 | Very high | 148 Ų | 148 | 102 Ų | 102 | 56% | 0.558 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.2 | -46.6 | 169.6 | -162.1 | -168.4 | 79.9 | -154 | 3.1 | 111.8 | C171 L173 E177 L178 D179 | C171-R175 VanDerWaalsContact O-CB 3.32Å; C171-R175 WeakPolarHBondContact O-CB 3.08Å; C171-R175 PolarHBondContact O-N 3.06Å; L173-R175 VanDerWaalsContact C-N 3.32Å; L173-R175 PolarHBondContact O-N 3.36Å; R175-E177 PolarHBondContact O-N 2.98Å; R175-L178 CarbonylContact O-C 3.58Å; R175-L178 PolarHBondContact O-N 3.02Å; R175-L178 VanDerWaalsContact O-N 3.09Å; R175-D179 IonicContact NE-OD2 3.38Å; R175-D179 PolarHBondContact NE-OD2 2.87Å; R175-D179 WeakPolarHBondContact O-CB 3.26Å; R175-D179 PolarHBondContact O-N 3.04Å |
| 176 | L | 98.6 | Very high | 98.3 | Very high | 66 Ų | 66 | 100.4 Ų | 100.4 | 35% | 0.346 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.2 | -31.7 | 176.5 | -92.8 | 165.4 | 0 | 0 | 0 | 113.5 | R172 L173 K180 | R172-L176 WeakPolarHBondContact O-CB 3.43Å; R172-L176 PolarHBondContact O-N 2.92Å; L173-L176 CarbonylContact O-C 3.59Å; L173-L176 WeakPolarHBondContact O-CA 3.39Å; L173-L176 WeakPolarHBondContact O-CB 3.22Å; L173-L176 PolarHBondContact O-N 3.33Å; L176-K180 VanDerWaalsContact O-CG 3.27Å; L176-K180 WeakPolarHBondContact O-CG 3.27Å; L176-K180 PolarHBondContact O-N 3.31Å; L176-K180 VanDerWaalsContact O-N 3.1Å |
| 177 | E | 98.4 | Very high | 98.3 | Very high | 98 Ų | 98 | 99.7 Ų | 99.7 | 46% | 0.458 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.7 | -39.7 | 172.3 | -71.5 | -178.8 | -160.7 | 0 | 0 | 112.9 | L173 T174 R175 K180 K181 | L173-E177 PolarHBondContact O-N 3.08Å; T174-E177 PolarHBondContact O-N 2.91Å; R175-E177 PolarHBondContact O-N 2.98Å; E177-K180 PolarHBondContact O-N 3.41Å; E177-K181 WeakPolarHBondContact O-CD 3.34Å; E177-K181 VanDerWaalsContact O-CG 3.29Å; E177-K181 WeakPolarHBondContact O-CG 3.34Å; E177-K181 PolarHBondContact O-N 3.2Å; E177-K181 IonicContact OE2-NZ 3.39Å |
| 178 | L | 98.2 | Very high | 98.3 | Very high | 107 Ų | 107 | 97.7 Ų | 97.7 | 56% | 0.56 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.8 | -42.2 | 173.2 | -67.8 | 171 | 0 | 0 | 0 | 110.8 | T174 R175 K180 K181 L182 | T174-L178 WeakPolarHBondContact O-CG 3.42Å; T174-L178 PolarHBondContact O-N 3.29Å; R175-L178 CarbonylContact O-C 3.58Å; R175-L178 PolarHBondContact O-N 3.02Å; R175-L178 VanDerWaalsContact O-N 3.09Å; L178-K180 PolarHBondContact O-N 3.46Å; L178-K181 HydrophobicContact CD2-CD 4.45Å; L178-K181 PolarHBondContact O-N 3.42Å; L178-L182 VanDerWaalsContact O-CB 3.31Å; L178-L182 WeakPolarHBondContact O-CB 3.47Å; L178-L182 PolarHBondContact O-N 3.03Å |
| 179 | D | 98.3 | Very high | 98.2 | Very high | 48 Ų | 48 | 95.7 Ų | 95.7 | 26% | 0.257 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.5 | -33.5 | 174.1 | -63.8 | -26.2 | 0 | 0 | 0 | 111.4 | R175 R183 | R175-D179 IonicContact NE-OD2 3.38Å; R175-D179 PolarHBondContact NE-OD2 2.87Å; R175-D179 WeakPolarHBondContact O-CB 3.26Å; R175-D179 PolarHBondContact O-N 3.04Å; D179-R183 VanDerWaalsContact C-NH1 3.28Å; D179-R183 WeakPolarHBondContact O-CG 3.48Å; D179-R183 PolarHBondContact O-N 3.38Å; D179-R183 PolarHBondContact O-NH1 2.84Å |
| 180 | K | 98.5 | Very high | 98.2 | Very high | 140 Ų | 140 | 93.9 Ų | 93.9 | 61% | 0.609 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -73.2 | -46.1 | 173.3 | -76.3 | 169.4 | -178.5 | 179.2 | 0 | 112.2 | L176 E177 L178 L182 R183 A184 | L176-K180 VanDerWaalsContact O-CG 3.27Å; L176-K180 WeakPolarHBondContact O-CG 3.27Å; L176-K180 PolarHBondContact O-N 3.31Å; L176-K180 VanDerWaalsContact O-N 3.1Å; E177-K180 PolarHBondContact O-N 3.41Å; L178-K180 PolarHBondContact O-N 3.46Å; K180-L182 VanDerWaalsContact C-N 3.29Å; K180-L182 PolarHBondContact O-N 2.97Å; K180-R183 PolarHBondContact O-N 2.91Å; K180-A184 PolarHBondContact O-N 2.88Å |
| 181 | K | 98.3 | Very high | 98.2 | Very high | 114 Ų | 114 | 95 Ų | 95 | 50% | 0.496 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.1 | -39.2 | 177.4 | -71.4 | 159.5 | -175.5 | 160 | 0 | 111.2 | E177 L178 A184 L185 | E177-K181 WeakPolarHBondContact O-CD 3.34Å; E177-K181 VanDerWaalsContact O-CG 3.29Å; E177-K181 WeakPolarHBondContact O-CG 3.34Å; E177-K181 PolarHBondContact O-N 3.2Å; E177-K181 IonicContact OE2-NZ 3.39Å; L178-K181 HydrophobicContact CD2-CD 4.45Å; L178-K181 PolarHBondContact O-N 3.42Å; K181-A184 PolarHBondContact O-N 3.03Å; K181-L185 WeakPolarHBondContact O-CG 3.5Å; K181-L185 PolarHBondContact O-N 2.84Å |
| 182 | L | 98.4 | Very high | 98.2 | Very high | 96 Ų | 96 | 97.3 Ų | 97.3 | 50% | 0.503 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.1 | -50.5 | 175.2 | -178.1 | 143.2 | 0 | 0 | 0 | 111.4 | L178 K180 A184 L185 E186 | L178-L182 VanDerWaalsContact O-CB 3.31Å; L178-L182 WeakPolarHBondContact O-CB 3.47Å; L178-L182 PolarHBondContact O-N 3.03Å; K180-L182 VanDerWaalsContact C-N 3.29Å; K180-L182 PolarHBondContact O-N 2.97Å; L182-A184 VanDerWaalsContact C-N 3.35Å; L182-A184 PolarHBondContact O-N 3.35Å; L182-L185 PolarHBondContact O-N 3.38Å; L182-L185 VanDerWaalsContact O-N 3.16Å; L182-E186 VanDerWaalsContact CD2-CD 3.5Å; L182-E186 HydrophobicContact CD2-CG 4.28Å; L182-E186 WeakPolarHBondContact CD2-OE2 3.43Å; L182-E186 WeakPolarHBondContact O-CG 3.48Å; L182-E186 PolarHBondContact O-N 3.44Å |
| 183 | R | 98.2 | Very high | 98.2 | Very high | 128 Ų | 128 | 99.2 Ų | 99.2 | 48% | 0.483 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.5 | -42.3 | 175.7 | -73.3 | -178.4 | -167.8 | 85.7 | -3.4 | 112.9 | D179 K180 L185 E186 E187 | D179-R183 VanDerWaalsContact C-NH1 3.28Å; D179-R183 WeakPolarHBondContact O-CG 3.48Å; D179-R183 PolarHBondContact O-N 3.38Å; D179-R183 PolarHBondContact O-NH1 2.84Å; K180-R183 PolarHBondContact O-N 2.91Å; R183-L185 VanDerWaalsContact C-N 3.29Å; R183-L185 PolarHBondContact O-N 3.39Å; R183-E186 PolarHBondContact O-N 2.94Å; R183-E186 VanDerWaalsContact O-N 3.16Å; R183-E187 WeakPolarHBondContact O-CB 3.33Å; R183-E187 WeakPolarHBondContact O-CG 3.33Å; R183-E187 PolarHBondContact O-N 3.03Å |
| 184 | A | 98.2 | Very high | 98.1 | Very high | 52 Ų | 52 | 100.3 Ų | 100.3 | 43% | 0.43 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.2 | -38.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K180 K181 L182 E188 | K180-A184 PolarHBondContact O-N 2.88Å; K181-A184 PolarHBondContact O-N 3.03Å; L182-A184 VanDerWaalsContact C-N 3.35Å; L182-A184 PolarHBondContact O-N 3.35Å; A184-E188 WeakPolarHBondContact O-CB 3.49Å; A184-E188 PolarHBondContact O-N 3.37Å |
| 185 | L | 98 | Very high | 98.1 | Very high | 106 Ų | 106 | 99.4 Ų | 99.4 | 56% | 0.555 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -72.6 | -32.7 | 174.4 | -70 | 168.1 | 0 | 0 | 0 | 112.8 | K181 L182 R183 A189 | K181-L185 WeakPolarHBondContact O-CG 3.5Å; K181-L185 PolarHBondContact O-N 2.84Å; L182-L185 PolarHBondContact O-N 3.38Å; L182-L185 VanDerWaalsContact O-N 3.16Å; R183-L185 VanDerWaalsContact C-N 3.29Å; R183-L185 PolarHBondContact O-N 3.39Å; L185-A189 WeakPolarHBondContact O-CB 3Å; L185-A189 PolarHBondContact O-N 2.89Å |
| 186 | E | 98.4 | Very high | 98 | Very high | 117 Ų | 117 | 97.8 Ų | 97.8 | 55% | 0.547 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.5 | -42.3 | 171.6 | -70.9 | 176.4 | 144 | 0 | 0 | 111.5 | L182 R183 A189 S190 | L182-E186 VanDerWaalsContact CD2-CD 3.5Å; L182-E186 HydrophobicContact CD2-CG 4.28Å; L182-E186 WeakPolarHBondContact CD2-OE2 3.43Å; L182-E186 WeakPolarHBondContact O-CG 3.48Å; L182-E186 PolarHBondContact O-N 3.44Å; R183-E186 PolarHBondContact O-N 2.94Å; R183-E186 VanDerWaalsContact O-N 3.16Å; E186-A189 PolarHBondContact O-N 3.25Å; E186-S190 WeakPolarHBondContact O-CB 3.41Å; E186-S190 PolarHBondContact O-N 3.01Å |
| 187 | E | 98.1 | Very high | 97.9 | Very high | 128 Ų | 128 | 100.6 Ų | 100.6 | 60% | 0.598 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.5 | -49.5 | 174.5 | -74.7 | 168.8 | -159.5 | 0 | 0 | 110.8 | R183 S190 F191 | R183-E187 WeakPolarHBondContact O-CB 3.33Å; R183-E187 WeakPolarHBondContact O-CG 3.33Å; R183-E187 PolarHBondContact O-N 3.03Å; E187-S190 WeakPolarHBondContact O-CB 3.38Å; E187-S190 PolarHBondContact O-N 2.89Å; E187-S190 VanDerWaalsContact O-N 3.15Å; E187-S190 PolarHBondContact O-OG 2.94Å; E187-F191 PolarHBondContact O-N 2.91Å |
| 188 | E | 97.8 | Very high | 97.8 | Very high | 111 Ų | 111 | 101.7 Ų | 101.7 | 52% | 0.519 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.7 | -48.5 | 173.8 | 179.2 | 175.3 | -163.8 | 0 | 0 | 111.6 | A184 S190 F191 L192 | A184-E188 WeakPolarHBondContact O-CB 3.49Å; A184-E188 PolarHBondContact O-N 3.37Å; E188-S190 VanDerWaalsContact C-N 3.26Å; E188-S190 PolarHBondContact O-N 3.31Å; E188-F191 WeakPolarHBondContact O-CB 3.47Å; E188-F191 PolarHBondContact O-N 2.87Å; E188-F191 VanDerWaalsContact O-N 3.08Å; E188-L192 HydrophobicContact CG-CD1 3.69Å; E188-L192 WeakPolarHBondContact O-CD1 3.43Å; E188-L192 PolarHBondContact O-N 3.23Å |
| 189 | A | 97.3 | Very high | 97.7 | Very high | 46 Ų | 46 | 101.1 Ų | 101.1 | 38% | 0.38 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.3 | -29.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L185 E186 K193 | L185-A189 WeakPolarHBondContact O-CB 3Å; L185-A189 PolarHBondContact O-N 2.89Å; E186-A189 PolarHBondContact O-N 3.25Å; A189-K193 WeakPolarHBondContact O-CD 3.21Å; A189-K193 VanDerWaalsContact O-CG 3.28Å; A189-K193 WeakPolarHBondContact O-CG 3.26Å; A189-K193 PolarHBondContact O-N 3.48Å |
| 190 | S | 98 | Very high | 97.6 | Very high | 47 Ų | 47 | 101.7 Ų | 101.7 | 33% | 0.329 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -74.1 | -34.4 | 172.3 | 86.8 | 0 | 0 | 0 | 0 | 112.3 | E186 E187 E188 K194 | E186-S190 WeakPolarHBondContact O-CB 3.41Å; E186-S190 PolarHBondContact O-N 3.01Å; E187-S190 WeakPolarHBondContact O-CB 3.38Å; E187-S190 PolarHBondContact O-N 2.89Å; E187-S190 VanDerWaalsContact O-N 3.15Å; E187-S190 PolarHBondContact O-OG 2.94Å; E188-S190 VanDerWaalsContact C-N 3.26Å; E188-S190 PolarHBondContact O-N 3.31Å; S190-K194 WeakPolarHBondContact O-CG 3.31Å; S190-K194 PolarHBondContact O-N 3.04Å; S190-K194 VanDerWaalsContact O-N 3.16Å |
| 191 | F | 98.3 | Very high | 97.4 | Very high | 130 Ų | 130 | 97.8 Ų | 97.8 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -69.6 | -47.4 | 176.8 | 176.3 | -99.9 | 0 | 0 | 0 | 111.2 | E187 E188 K193 K194 N195 | E187-F191 PolarHBondContact O-N 2.91Å; E188-F191 WeakPolarHBondContact O-CB 3.47Å; E188-F191 PolarHBondContact O-N 2.87Å; E188-F191 VanDerWaalsContact O-N 3.08Å; F191-K193 VanDerWaalsContact C-N 3.27Å; F191-K193 PolarHBondContact O-N 3.13Å; F191-K194 PolarHBondContact O-N 3.43Å; F191-N195 VanDerWaalsContact O-CB 3.3Å; F191-N195 WeakPolarHBondContact O-CB 3.44Å; F191-N195 PolarHBondContact O-N 2.94Å |
| 192 | L | 97.8 | Very high | 97.2 | Very high | 101 Ų | 101 | 98.3 Ų | 98.3 | 53% | 0.529 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.4 | -37.2 | 175.9 | -89.4 | 80.4 | 0 | 0 | 0 | 112.3 | E188 H196 | E188-L192 HydrophobicContact CG-CD1 3.69Å; E188-L192 WeakPolarHBondContact O-CD1 3.43Å; E188-L192 PolarHBondContact O-N 3.23Å; L192-H196 VanDerWaalsContact O-CB 3.31Å; L192-H196 WeakPolarHBondContact O-CB 3.36Å; L192-H196 PolarHBondContact O-N 2.88Å |
| 193 | K | 97.7 | Very high | 96.9 | Very high | 136 Ų | 136 | 98.3 Ų | 98.3 | 59% | 0.591 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.6 | -51.4 | 175.2 | -75.8 | 171.7 | -177.4 | 177.7 | 0 | 112 | A189 F191 H196 E197 | A189-K193 WeakPolarHBondContact O-CD 3.21Å; A189-K193 VanDerWaalsContact O-CG 3.28Å; A189-K193 WeakPolarHBondContact O-CG 3.26Å; A189-K193 PolarHBondContact O-N 3.48Å; F191-K193 VanDerWaalsContact C-N 3.27Å; F191-K193 PolarHBondContact O-N 3.13Å; K193-H196 PolarHBondContact O-N 3.12Å; K193-E197 VanDerWaalsContact O-CG 3.32Å; K193-E197 WeakPolarHBondContact O-CG 3.43Å; K193-E197 PolarHBondContact O-N 3.47Å |
| 194 | K | 98 | Very high | 96.4 | Very high | 115 Ų | 115 | 96.8 Ų | 96.8 | 50% | 0.5 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 177.5 | -70.9 | 168.5 | -178.2 | 169.8 | 0 | 112 | S190 F191 H196 E197 E198 | S190-K194 WeakPolarHBondContact O-CG 3.31Å; S190-K194 PolarHBondContact O-N 3.04Å; S190-K194 VanDerWaalsContact O-N 3.16Å; F191-K194 PolarHBondContact O-N 3.43Å; K194-H196 VanDerWaalsContact C-N 3.27Å; K194-H196 PolarHBondContact O-N 2.97Å; K194-E197 PolarHBondContact O-N 3.47Å; K194-E197 VanDerWaalsContact O-N 3.15Å; K194-E198 WeakPolarHBondContact O-CB 3.47Å; K194-E198 VanDerWaalsContact O-CG 3.28Å; K194-E198 WeakPolarHBondContact O-CG 3.35Å; K194-E198 PolarHBondContact O-N 3.3Å |
| 195 | N | 97.4 | Very high | 95.9 | Very high | 54 Ų | 54 | 97 Ų | 97 | 29% | 0.289 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.3 | -39.9 | 176.7 | -177 | 108.1 | 0 | 0 | 0 | 111.3 | F191 E199 | F191-N195 VanDerWaalsContact O-CB 3.3Å; F191-N195 WeakPolarHBondContact O-CB 3.44Å; F191-N195 PolarHBondContact O-N 2.94Å; N195-E199 PolarHBondContact ND2-OE1 3.36Å; N195-E199 PolarHBondContact ND2-OE2 3.49Å; N195-E199 WeakPolarHBondContact O-CB 3.24Å; N195-E199 VanDerWaalsContact O-CG 3.24Å; N195-E199 WeakPolarHBondContact O-CG 3.48Å; N195-E199 PolarHBondContact O-N 3.37Å |
| 196 | H | 96.6 | Very high | 95.4 | Very high | 113 Ų | 113 | 97.5 Ų | 97.5 | 52% | 0.523 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.1 | -40.2 | 175.4 | -177 | 55.9 | 0 | 0 | 0 | 112.9 | L192 K193 K194 E198 E199 V200 | L192-H196 VanDerWaalsContact O-CB 3.31Å; L192-H196 WeakPolarHBondContact O-CB 3.36Å; L192-H196 PolarHBondContact O-N 2.88Å; K193-H196 PolarHBondContact O-N 3.12Å; K194-H196 VanDerWaalsContact C-N 3.27Å; K194-H196 PolarHBondContact O-N 2.97Å; H196-E198 VanDerWaalsContact C-N 3.3Å; H196-E198 PolarHBondContact O-N 3.44Å; H196-E199 PolarHBondContact O-N 2.98Å; H196-V200 WeakPolarHBondContact O-CB 3.26Å; H196-V200 VanDerWaalsContact O-CG2 3.25Å; H196-V200 WeakPolarHBondContact O-CG2 3.27Å; H196-V200 PolarHBondContact O-N 3.15Å |
| 197 | E | 97 | Very high | 94.5 | Very high | 126 Ų | 126 | 97.1 Ų | 97.1 | 59% | 0.589 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.7 | -39.2 | 173.6 | -71.6 | 162.7 | -162.4 | 0 | 0 | 111.4 | K193 K194 A201 | K193-E197 VanDerWaalsContact O-CG 3.32Å; K193-E197 WeakPolarHBondContact O-CG 3.43Å; K193-E197 PolarHBondContact O-N 3.47Å; K194-E197 PolarHBondContact O-N 3.47Å; K194-E197 VanDerWaalsContact O-N 3.15Å; E197-A201 WeakPolarHBondContact O-CB 3.48Å; E197-A201 PolarHBondContact O-N 2.96Å |
| 198 | E | 96.1 | Very high | 93.5 | Very high | 120 Ų | 120 | 97.4 Ų | 97.4 | 56% | 0.561 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -69.1 | -48.5 | 174.6 | -72.6 | 166.6 | -169.2 | 0 | 0 | 111.8 | K194 H196 V200 A201 E202 | K194-E198 WeakPolarHBondContact O-CB 3.47Å; K194-E198 VanDerWaalsContact O-CG 3.28Å; K194-E198 WeakPolarHBondContact O-CG 3.35Å; K194-E198 PolarHBondContact O-N 3.3Å; H196-E198 VanDerWaalsContact C-N 3.3Å; H196-E198 PolarHBondContact O-N 3.44Å; E198-V200 VanDerWaalsContact C-N 3.32Å; E198-V200 PolarHBondContact O-N 3.24Å; E198-A201 WeakPolarHBondContact O-CB 3.2Å; E198-A201 PolarHBondContact O-N 3.23Å; E198-A201 VanDerWaalsContact O-N 3.13Å; E198-E202 PolarHBondContact O-N 3.29Å |
| 199 | E | 95.6 | Very high | 92.2 | Very high | 96 Ų | 96 | 94 Ų | 94 | 45% | 0.449 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.7 | -41.8 | 174.6 | -79.4 | 169.7 | 174.4 | 0 | 0 | 112.1 | N195 H196 E202 L203 | N195-E199 PolarHBondContact ND2-OE1 3.36Å; N195-E199 PolarHBondContact ND2-OE2 3.49Å; N195-E199 WeakPolarHBondContact O-CB 3.24Å; N195-E199 VanDerWaalsContact O-CG 3.24Å; N195-E199 WeakPolarHBondContact O-CG 3.48Å; N195-E199 PolarHBondContact O-N 3.37Å; H196-E199 PolarHBondContact O-N 2.98Å; E199-E202 PolarHBondContact O-N 2.93Å; E199-L203 WeakPolarHBondContact O-CB 3.42Å; E199-L203 VanDerWaalsContact O-CG 3.26Å; E199-L203 WeakPolarHBondContact O-CG 3.38Å; E199-L203 PolarHBondContact O-N 2.62Å |
| 200 | V | 95.1 | Very high | 90.6 | Very high | 60 Ų | 60 | 95.3 Ų | 95.3 | 36% | 0.364 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.9 | -40.6 | 175.9 | 168.1 | 0 | 0 | 0 | 0 | 111 | H196 E198 L204 | H196-V200 WeakPolarHBondContact O-CB 3.26Å; H196-V200 VanDerWaalsContact O-CG2 3.25Å; H196-V200 WeakPolarHBondContact O-CG2 3.27Å; H196-V200 PolarHBondContact O-N 3.15Å; E198-V200 VanDerWaalsContact C-N 3.32Å; E198-V200 PolarHBondContact O-N 3.24Å; V200-L204 HydrophobicContact CG1-CD1 4.02Å; V200-L204 WeakPolarHBondContact O-CB 3.45Å; V200-L204 WeakPolarHBondContact O-CD1 3.38Å; V200-L204 VanDerWaalsContact O-CG 3.22Å; V200-L204 WeakPolarHBondContact O-CG 3.36Å; V200-L204 PolarHBondContact O-N 2.98Å |
| 201 | A | 94.4 | Very high | 88.3 | Confident | 58 Ų | 58 | 101.1 Ų | 101.1 | 48% | 0.479 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.6 | -41.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E197 E198 L204 A205 | E197-A201 WeakPolarHBondContact O-CB 3.48Å; E197-A201 PolarHBondContact O-N 2.96Å; E198-A201 WeakPolarHBondContact O-CB 3.2Å; E198-A201 PolarHBondContact O-N 3.23Å; E198-A201 VanDerWaalsContact O-N 3.13Å; A201-L204 PolarHBondContact O-N 2.89Å; A201-A205 WeakPolarHBondContact O-CB 3.49Å; A201-A205 PolarHBondContact O-N 3.3Å |
| 202 | E | 94.3 | Very high | 86 | Confident | 124 Ų | 124 | 101 Ų | 101 | 58% | 0.579 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.4 | -45.1 | 175.1 | -75.6 | -161.2 | 176.1 | 0 | 0 | 112 | E198 E199 L204 A205 Q206 | E198-E202 PolarHBondContact O-N 3.29Å; E199-E202 PolarHBondContact O-N 2.93Å; E202-L204 VanDerWaalsContact C-N 3.34Å; E202-L204 PolarHBondContact O-N 2.86Å; E202-A205 CarbonylContact O-C 3.55Å; E202-A205 PolarHBondContact O-N 3.15Å; E202-A205 VanDerWaalsContact O-N 3.14Å; E202-Q206 WeakPolarHBondContact O-CB 3.16Å; E202-Q206 WeakPolarHBondContact O-CG 3.33Å; E202-Q206 PolarHBondContact O-N 3.27Å |
| 203 | L | 91.8 | Very high | 83.3 | Confident | 97 Ų | 97 | 100.8 Ų | 100.8 | 51% | 0.508 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 177 | -74 | 170.2 | 0 | 0 | 0 | 111.7 | E199 A205 Q206 I207 | E199-L203 WeakPolarHBondContact O-CB 3.42Å; E199-L203 VanDerWaalsContact O-CG 3.26Å; E199-L203 WeakPolarHBondContact O-CG 3.38Å; E199-L203 PolarHBondContact O-N 2.62Å; L203-A205 VanDerWaalsContact C-N 3.33Å; L203-A205 PolarHBondContact O-N 2.69Å; L203-Q206 PolarHBondContact O-N 3.23Å; L203-I207 WeakPolarHBondContact O-CB 3.47Å; L203-I207 WeakPolarHBondContact O-CD1 3.4Å; L203-I207 VanDerWaalsContact O-CG1 3.25Å; L203-I207 WeakPolarHBondContact O-CG1 3.29Å; L203-I207 PolarHBondContact O-N 3.25Å |
| 204 | L | 88.8 | Confident | 80.7 | Confident | 95 Ų | 95 | 103.2 Ų | 103.2 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.9 | -38.2 | 173.3 | -73.5 | 168.9 | 0 | 0 | 0 | 112.1 | V200 A201 E202 Q208 | V200-L204 HydrophobicContact CG1-CD1 4.02Å; V200-L204 WeakPolarHBondContact O-CB 3.45Å; V200-L204 WeakPolarHBondContact O-CD1 3.38Å; V200-L204 VanDerWaalsContact O-CG 3.22Å; V200-L204 WeakPolarHBondContact O-CG 3.36Å; V200-L204 PolarHBondContact O-N 2.98Å; A201-L204 PolarHBondContact O-N 2.89Å; E202-L204 VanDerWaalsContact C-N 3.34Å; E202-L204 PolarHBondContact O-N 2.86Å; L204-Q208 WeakPolarHBondContact O-CG 3.41Å; L204-Q208 PolarHBondContact O-N 2.68Å; L204-Q208 PolarHBondContact O-NE2 2.98Å |
| 205 | A | 87.9 | Confident | 77.8 | Confident | 56 Ų | 56 | 105.6 Ų | 105.6 | 46% | 0.463 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -71.1 | -38.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A201 E202 L203 Q208 G209 | A201-A205 WeakPolarHBondContact O-CB 3.49Å; A201-A205 PolarHBondContact O-N 3.3Å; E202-A205 CarbonylContact O-C 3.55Å; E202-A205 PolarHBondContact O-N 3.15Å; E202-A205 VanDerWaalsContact O-N 3.14Å; L203-A205 VanDerWaalsContact C-N 3.33Å; L203-A205 PolarHBondContact O-N 2.69Å; A205-Q208 WeakPolarHBondContact O-CB 3.33Å; A205-Q208 PolarHBondContact O-N 3.26Å; A205-G209 PolarHBondContact O-N 3.13Å |
| 206 | Q | 86.9 | Confident | 75.3 | Confident | 117 Ų | 117 | 109.5 Ų | 109.5 | 55% | 0.547 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.4 | -40.6 | 175.1 | -73.5 | 179.2 | 31.2 | 0 | 0 | 111.5 | E202 L203 Q208 G209 A210 | E202-Q206 WeakPolarHBondContact O-CB 3.16Å; E202-Q206 WeakPolarHBondContact O-CG 3.33Å; E202-Q206 PolarHBondContact O-N 3.27Å; L203-Q206 PolarHBondContact O-N 3.23Å; Q206-Q208 VanDerWaalsContact C-N 3.25Å; Q206-Q208 PolarHBondContact O-N 3.01Å; Q206-G209 PolarHBondContact O-N 2.91Å; Q206-A210 WeakPolarHBondContact O-CB 3.4Å; Q206-A210 PolarHBondContact O-N 3.19Å |
| 207 | I | 79.6 | Confident | 72.4 | Confident | 110 Ų | 110 | 115.3 Ų | 115.3 | 56% | 0.564 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -60.9 | -35.8 | 174 | -71.9 | 162.7 | 0 | 0 | 0 | 111.4 | L203 | L203-I207 WeakPolarHBondContact O-CB 3.47Å; L203-I207 WeakPolarHBondContact O-CD1 3.4Å; L203-I207 VanDerWaalsContact O-CG1 3.25Å; L203-I207 WeakPolarHBondContact O-CG1 3.29Å; L203-I207 PolarHBondContact O-N 3.25Å |
| 208 | Q | 77.7 | Confident | 69.4 | Low | 133 Ų | 133 | 116.2 Ų | 116.2 | 62% | 0.621 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -72.7 | -42.5 | 174.9 | -69.8 | 164.4 | 59.9 | 0 | 0 | 112.1 | L204 A205 Q206 | L204-Q208 WeakPolarHBondContact O-CG 3.41Å; L204-Q208 PolarHBondContact O-N 2.68Å; L204-Q208 PolarHBondContact O-NE2 2.98Å; A205-Q208 WeakPolarHBondContact O-CB 3.33Å; A205-Q208 PolarHBondContact O-N 3.26Å; Q206-Q208 VanDerWaalsContact C-N 3.25Å; Q206-Q208 PolarHBondContact O-N 3.01Å |
| 209 | G | 70.6 | Confident | 67 | Low | 40 Ų | 40 | 116.1 Ų | 116.1 | 41% | 0.412 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -70.4 | -36.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | A205 Q206 Q211 V212 | A205-G209 PolarHBondContact O-N 3.13Å; Q206-G209 PolarHBondContact O-N 2.91Å; G209-Q211 PolarHBondContact O-N 3.33Å; G209-Q211 VanDerWaalsContact O-N 3.14Å; G209-V212 PolarHBondContact O-N 3.09Å |
| 210 | A | 62.7 | Low | 64.8 | Low | 73 Ų | 73 | 118.9 Ų | 118.9 | 60% | 0.603 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -15.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q206 V212 | Q206-A210 WeakPolarHBondContact O-CB 3.4Å; Q206-A210 PolarHBondContact O-N 3.19Å; A210-V212 PolarHBondContact O-N 3.39Å |
| 211 | Q | 49.2 | Very low | 62.5 | Low | 170 Ų | 170 | 125.7 Ų | 125.7 | 79% | 0.794 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -6.1 | 170.5 | -67.5 | -167.5 | -16.9 | 0 | 0 | 113.7 | G209 | G209-Q211 PolarHBondContact O-N 3.33Å; G209-Q211 VanDerWaalsContact O-N 3.14Å |
| 212 | V | 50.2 | Low | 60.7 | Low | 128 Ų | 128 | 127.9 Ų | 127.9 | 78% | 0.776 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -122.4 | -4.9 | -167.8 | -167.1 | 0 | 0 | 0 | 0 | 113.7 | G209 A210 | G209-V212 PolarHBondContact O-N 3.09Å; A210-V212 PolarHBondContact O-N 3.39Å |
| 213 | S | 42.5 | Very low | 59 | Low | 95 Ų | 95 | 125 Ų | 125 | 66% | 0.664 | 67% | 0.673 | S | S | * | * | trans | -129.2 | 77 | -173.6 | 62.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 214 | F | 42.5 | Very low | 57.7 | Low | 187 Ų | 187 | 125.7 Ų | 125.7 | 82% | 0.82 | 68% | 0.682 | S | S | * | * | trans | -122.6 | 92.4 | 157.7 | -177.4 | -93.2 | 0 | 0 | 0 | 108.9 | ||||
| 215 | D | 37.9 | Very low | 56.7 | Low | 166 Ų | 166 | 125.2 Ų | 125.2 | 89% | 0.888 | 68% | 0.682 | S | S | * | * | trans | -120.4 | 118.2 | 171.2 | -107.1 | -40.4 | 0 | 0 | 0 | 110.1 | ||||
| 216 | L | 44.4 | Very low | 55.8 | Low | 136 Ų | 136 | 125 Ų | 125 | 71% | 0.712 | 68% | 0.677 | S | S | * | * | trans | -73.2 | 136.2 | -179.4 | -174.4 | 71.4 | 0 | 0 | 0 | 109.6 | ||||
| 217 | R | 35.9 | Very low | 55 | Low | 234 Ų | 234 | 121.9 Ų | 121.9 | 88% | 0.883 | 67% | 0.672 | S | S | * | * | trans | -123.7 | 129.8 | 169 | -163.3 | 163 | -170 | 151.4 | 6.3 | 112.6 | ||||
| 218 | D | 33.4 | Very low | 54.9 | Low | 145 Ų | 145 | 122.1 Ų | 122.1 | 78% | 0.775 | 67% | 0.674 | S | S | * | * | trans | -69 | 163.4 | -163.8 | -67.6 | -66.4 | 0 | 0 | 0 | 116.4 | ||||
| 219 | T | 45.1 | Very low | 55.2 | Low | 119 Ų | 119 | 122.1 Ų | 122.1 | 73% | 0.73 | 67% | 0.668 | S | S | * | * | trans | -111.6 | 177.2 | -170 | 62.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 220 | L | 49.9 | Very low | 55.8 | Low | 153 Ų | 153 | 124.6 Ų | 124.6 | 80% | 0.801 | 67% | 0.669 | S | S | * | * | trans | 56.9 | 94.5 | 161.8 | -89.8 | 67.4 | 0 | 0 | 0 | 118.1 | ||||
| 221 | K | 47.9 | Very low | 56.8 | Low | 204 Ų | 204 | 125.6 Ų | 125.6 | 89% | 0.887 | 66% | 0.663 | S | S | * | * | trans | -128.4 | 100.4 | 132.2 | -72.5 | -170 | 178.8 | 178.1 | 0 | 109.6 | D223 | K221-D223 VanDerWaalsContact C-N 3.29Å; K221-D223 PolarHBondContact O-N 2.89Å | ||
| 222 | A | 56.7 | Low | 58.5 | Low | 104 Ų | 104 | 125.9 Ų | 125.9 | 86% | 0.86 | 66% | 0.657 | S | S | * | * | trans | -74.9 | 81 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 223 | D | 57.8 | Low | 60.3 | Low | 63 Ų | 63 | 122.6 Ų | 122.6 | 34% | 0.337 | 64% | 0.64 | S | S | . | * | trans | -73 | 134.1 | 178.4 | 160.5 | 35.2 | 0 | 0 | 0 | 111.1 | K221 T225 S226 A227 R229 | K221-D223 VanDerWaalsContact C-N 3.29Å; K221-D223 PolarHBondContact O-N 2.89Å; D223-T225 PolarHBondContact O-N 3.3Å; D223-T225 WeakPolarHBondContact OD1-CA 3.31Å; D223-T225 WeakPolarHBondContact OD1-CB 3.2Å; D223-T225 PolarHBondContact OD1-N 2.86Å; D223-T225 PolarHBondContact OD1-OG1 2.89Å; D223-T225 WeakPolarHBondContact OD2-CB 3.37Å; D223-S226 VanDerWaalsContact O-CA 3.23Å; D223-S226 WeakPolarHBondContact O-CA 3.49Å; D223-S226 WeakPolarHBondContact O-CB 3.38Å; D223-S226 PolarHBondContact O-N 2.75Å; D223-S226 PolarHBondContact OD2-N 2.83Å; D223-S226 VanDerWaalsContact OD2-N 3.12Å; D223-A227 PolarHBondContact O-N 2.76Å; D223-R229 IonicContact OD2-CZ 2.62Å; D223-R229 IonicContact OD2-NH1 3.17Å; D223-R229 IonicContact OD2-NH2 2.69Å; D223-R229 PolarHBondContact OD2-NH2 3.46Å | ||
| 224 | V | 63.2 | Low | 62.5 | Low | 112 Ų | 112 | 123.2 Ų | 123.2 | 68% | 0.679 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.2 | -29.8 | 175.8 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | S226 A227 L228 | V224-S226 PolarHBondContact O-N 2.86Å; V224-A227 WeakPolarHBondContact O-CB 3.46Å; V224-A227 PolarHBondContact O-N 3.41Å; V224-A227 VanDerWaalsContact O-N 3.07Å; V224-L228 PolarHBondContact O-N 3.14Å |
| 225 | T | 69.3 | Low | 64.7 | Low | 84 Ų | 84 | 119.9 Ų | 119.9 | 52% | 0.515 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64 | -26 | 167.6 | -24.7 | 0 | 0 | 0 | 0 | 111 | D223 R229 | D223-T225 PolarHBondContact O-N 3.3Å; D223-T225 WeakPolarHBondContact OD1-CA 3.31Å; D223-T225 WeakPolarHBondContact OD1-CB 3.2Å; D223-T225 PolarHBondContact OD1-N 2.86Å; D223-T225 PolarHBondContact OD1-OG1 2.89Å; D223-T225 WeakPolarHBondContact OD2-CB 3.37Å; T225-R229 WeakPolarHBondContact O-CB 3.37Å; T225-R229 PolarHBondContact O-N 3.44Å |
| 226 | S | 68.6 | Low | 67.1 | Low | 51 Ų | 51 | 116.6 Ų | 116.6 | 36% | 0.357 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -73 | -32.9 | 170.5 | -152.8 | 0 | 0 | 0 | 0 | 112.6 | D223 V224 R229 E230 | D223-S226 VanDerWaalsContact O-CA 3.23Å; D223-S226 WeakPolarHBondContact O-CA 3.49Å; D223-S226 WeakPolarHBondContact O-CB 3.38Å; D223-S226 PolarHBondContact O-N 2.75Å; D223-S226 PolarHBondContact OD2-N 2.83Å; D223-S226 VanDerWaalsContact OD2-N 3.12Å; V224-S226 PolarHBondContact O-N 2.86Å; S226-R229 VanDerWaalsContact CA-NH1 3.34Å; S226-R229 PolarHBondContact O-N 3.31Å; S226-R229 PolarHBondContact OG-NH1 2.85Å; S226-E230 WeakPolarHBondContact O-CB 3.46Å; S226-E230 PolarHBondContact O-N 3.05Å |
| 227 | A | 70.6 | Confident | 69.3 | Low | 53 Ų | 53 | 112 Ų | 112 | 44% | 0.438 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.9 | -39.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | D223 V224 E230 I231 | D223-A227 PolarHBondContact O-N 2.76Å; V224-A227 WeakPolarHBondContact O-CB 3.46Å; V224-A227 PolarHBondContact O-N 3.41Å; V224-A227 VanDerWaalsContact O-N 3.07Å; A227-E230 PolarHBondContact O-N 3.32Å; A227-I231 WeakPolarHBondContact O-CG1 3.4Å; A227-I231 PolarHBondContact O-N 2.97Å |
| 228 | L | 76.9 | Confident | 71.9 | Confident | 115 Ų | 115 | 107.3 Ų | 107.3 | 60% | 0.602 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.9 | -37.4 | 173.2 | -70 | 171.9 | 0 | 0 | 0 | 112.6 | V224 E230 I231 R232 | V224-L228 PolarHBondContact O-N 3.14Å; L228-E230 VanDerWaalsContact C-N 3.28Å; L228-I231 PolarHBondContact O-N 2.7Å; L228-R232 WeakPolarHBondContact O-CB 3.33Å; L228-R232 PolarHBondContact O-N 3.27Å |
| 229 | R | 84.2 | Confident | 74.6 | Confident | 132 Ų | 132 | 103.2 Ų | 103.2 | 50% | 0.498 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.3 | -32.9 | 172.1 | -168.2 | -173.3 | -50.9 | 120.1 | 6.6 | 111.3 | D223 T225 S226 S233 | D223-R229 IonicContact OD2-CZ 2.62Å; D223-R229 IonicContact OD2-NH1 3.17Å; D223-R229 IonicContact OD2-NH2 2.69Å; D223-R229 PolarHBondContact OD2-NH2 3.46Å; T225-R229 WeakPolarHBondContact O-CB 3.37Å; T225-R229 PolarHBondContact O-N 3.44Å; S226-R229 VanDerWaalsContact CA-NH1 3.34Å; S226-R229 PolarHBondContact O-N 3.31Å; S226-R229 PolarHBondContact OG-NH1 2.85Å; R229-S233 WeakPolarHBondContact O-CB 3.5Å; R229-S233 PolarHBondContact O-N 2.96Å |
| 230 | E | 83.5 | Confident | 76.8 | Confident | 92 Ų | 92 | 100.9 Ų | 100.9 | 43% | 0.43 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -73.7 | -44.3 | 174.7 | 178.7 | 55.9 | -159.8 | 0 | 0 | 112 | S226 A227 L228 R232 S233 Q234 | S226-E230 WeakPolarHBondContact O-CB 3.46Å; S226-E230 PolarHBondContact O-N 3.05Å; A227-E230 PolarHBondContact O-N 3.32Å; L228-E230 VanDerWaalsContact C-N 3.28Å; E230-R232 VanDerWaalsContact C-N 3.27Å; E230-R232 PolarHBondContact O-N 2.72Å; E230-S233 CarbonylContact O-C 3.6Å; E230-S233 WeakPolarHBondContact O-CB 3.47Å; E230-S233 PolarHBondContact O-N 2.88Å; E230-Q234 WeakPolarHBondContact O-CB 3.2Å; E230-Q234 VanDerWaalsContact O-CG 3.28Å; E230-Q234 WeakPolarHBondContact O-CG 3.39Å; E230-Q234 PolarHBondContact O-N 3Å; E230-Q234 WeakPolarHBondContact OE1-CG 3.37Å; E230-Q234 PolarHBondContact OE1-NE2 3.2Å |
| 231 | I | 82.3 | Confident | 78.9 | Confident | 95 Ų | 95 | 100 Ų | 100 | 49% | 0.487 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.8 | -40.2 | 173.1 | -68.7 | 164.3 | 0 | 0 | 0 | 110.7 | A227 L228 Q234 L235 | A227-I231 WeakPolarHBondContact O-CG1 3.4Å; A227-I231 PolarHBondContact O-N 2.97Å; L228-I231 PolarHBondContact O-N 2.7Å; I231-Q234 PolarHBondContact O-N 3Å; I231-L235 WeakPolarHBondContact O-CG 3.21Å; I231-L235 PolarHBondContact O-N 2.73Å; I231-L235 VanDerWaalsContact O-N 3.08Å |
| 232 | R | 86.2 | Confident | 81 | Confident | 175 Ų | 175 | 94 Ų | 94 | 66% | 0.66 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.5 | -45 | 174 | -172.4 | 169 | -175.6 | 154.5 | 3.9 | 112 | L228 E230 Q234 L235 D236 | L228-R232 WeakPolarHBondContact O-CB 3.33Å; L228-R232 PolarHBondContact O-N 3.27Å; E230-R232 VanDerWaalsContact C-N 3.27Å; E230-R232 PolarHBondContact O-N 2.72Å; R232-Q234 VanDerWaalsContact C-N 3.28Å; R232-Q234 PolarHBondContact O-N 3.33Å; R232-L235 PolarHBondContact O-N 2.92Å; R232-L235 VanDerWaalsContact O-N 3.17Å; R232-D236 WeakPolarHBondContact CG-OD2 3.38Å; R232-D236 IonicContact NE-OD2 3.76Å; R232-D236 WeakPolarHBondContact O-CB 3.44Å; R232-D236 PolarHBondContact O-N 3.04Å |
| 233 | S | 88.4 | Confident | 82.7 | Confident | 59 Ų | 59 | 91.7 Ų | 91.7 | 41% | 0.413 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -54.7 | -41.5 | 171.8 | 175.4 | 0 | 0 | 0 | 0 | 111.8 | R229 E230 S237 | R229-S233 WeakPolarHBondContact O-CB 3.5Å; R229-S233 PolarHBondContact O-N 2.96Å; E230-S233 CarbonylContact O-C 3.6Å; E230-S233 WeakPolarHBondContact O-CB 3.47Å; E230-S233 PolarHBondContact O-N 2.88Å; S233-S237 WeakPolarHBondContact O-CA 3.49Å; S233-S237 WeakPolarHBondContact O-CB 3.36Å; S233-S237 PolarHBondContact O-N 3.1Å |
| 234 | Q | 88.2 | Confident | 84.4 | Confident | 109 Ų | 109 | 91.9 Ų | 91.9 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68 | -38.6 | 177.7 | -73.1 | 173.3 | 12.9 | 0 | 0 | 112.5 | E230 I231 R232 H238 | E230-Q234 WeakPolarHBondContact O-CB 3.2Å; E230-Q234 VanDerWaalsContact O-CG 3.28Å; E230-Q234 WeakPolarHBondContact O-CG 3.39Å; E230-Q234 PolarHBondContact O-N 3Å; E230-Q234 WeakPolarHBondContact OE1-CG 3.37Å; E230-Q234 PolarHBondContact OE1-NE2 3.2Å; I231-Q234 PolarHBondContact O-N 3Å; R232-Q234 VanDerWaalsContact C-N 3.28Å; R232-Q234 PolarHBondContact O-N 3.33Å; Q234-H238 WeakPolarHBondContact O-CB 3.38Å; Q234-H238 PolarHBondContact O-N 3.16Å |
| 235 | L | 87.8 | Confident | 85.9 | Confident | 117 Ų | 117 | 92.4 Ų | 92.4 | 61% | 0.613 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.8 | -47.1 | 174.2 | -71.2 | 172.4 | 0 | 0 | 0 | 112.2 | I231 R232 S237 H238 A239 | I231-L235 WeakPolarHBondContact O-CG 3.21Å; I231-L235 PolarHBondContact O-N 2.73Å; I231-L235 VanDerWaalsContact O-N 3.08Å; R232-L235 PolarHBondContact O-N 2.92Å; R232-L235 VanDerWaalsContact O-N 3.17Å; L235-S237 VanDerWaalsContact C-N 3.27Å; L235-S237 PolarHBondContact O-N 2.8Å; L235-H238 PolarHBondContact O-N 2.9Å; L235-H238 VanDerWaalsContact O-N 3.15Å; L235-A239 PolarHBondContact O-N 3.35Å |
| 236 | D | 89.3 | Confident | 86.9 | Confident | 96 Ų | 96 | 90.6 Ų | 90.6 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.5 | -35.6 | 175.8 | -68.7 | -29.4 | 0 | 0 | 0 | 110.6 | R232 S240 | R232-D236 WeakPolarHBondContact CG-OD2 3.38Å; R232-D236 IonicContact NE-OD2 3.76Å; R232-D236 WeakPolarHBondContact O-CB 3.44Å; R232-D236 PolarHBondContact O-N 3.04Å; D236-S240 WeakPolarHBondContact O-CB 3.19Å; D236-S240 PolarHBondContact O-N 2.93Å |
| 237 | S | 91.2 | Very high | 88.1 | Confident | 39 Ų | 39 | 93 Ų | 93 | 27% | 0.273 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.9 | -39.1 | 172.1 | -173.8 | 0 | 0 | 0 | 0 | 112.2 | S233 L235 K241 | S233-S237 WeakPolarHBondContact O-CA 3.49Å; S233-S237 WeakPolarHBondContact O-CB 3.36Å; S233-S237 PolarHBondContact O-N 3.1Å; L235-S237 VanDerWaalsContact C-N 3.27Å; L235-S237 PolarHBondContact O-N 2.8Å; S237-K241 VanDerWaalsContact O-CB 3.28Å; S237-K241 WeakPolarHBondContact O-CB 3.4Å; S237-K241 WeakPolarHBondContact O-CD 3.45Å; S237-K241 WeakPolarHBondContact O-CG 3.41Å; S237-K241 PolarHBondContact O-N 3.25Å; S237-K241 WeakPolarHBondContact OG-CE 3.47Å; S237-K241 PolarHBondContact OG-NZ 3.48Å |
| 238 | H | 88.8 | Confident | 89.1 | Confident | 136 Ų | 136 | 95.5 Ų | 95.5 | 63% | 0.63 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.8 | -41.8 | 175.7 | -170.6 | -74.6 | 0 | 0 | 0 | 111.5 | Q234 L235 S242 | Q234-H238 WeakPolarHBondContact O-CB 3.38Å; Q234-H238 PolarHBondContact O-N 3.16Å; L235-H238 PolarHBondContact O-N 2.9Å; L235-H238 VanDerWaalsContact O-N 3.15Å; H238-S242 WeakPolarHBondContact O-CB 3.44Å; H238-S242 PolarHBondContact O-N 3.5Å |
| 239 | A | 89.9 | Confident | 90 | Very high | 60 Ų | 60 | 97.9 Ų | 97.9 | 50% | 0.496 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L235 S242 A243 | L235-A239 PolarHBondContact O-N 3.35Å; A239-S242 PolarHBondContact O-N 3.04Å; A239-A243 PolarHBondContact O-N 3.22Å |
| 240 | S | 92.7 | Very high | 90.4 | Very high | 70 Ų | 70 | 97.6 Ų | 97.6 | 49% | 0.49 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.9 | -48.5 | 175.5 | 178.4 | 0 | 0 | 0 | 0 | 112.2 | D236 S242 A243 V244 | D236-S240 WeakPolarHBondContact O-CB 3.19Å; D236-S240 PolarHBondContact O-N 2.93Å; S240-S242 VanDerWaalsContact C-N 3.31Å; S240-S242 PolarHBondContact O-N 2.96Å; S240-A243 PolarHBondContact O-N 3.49Å; S240-A243 VanDerWaalsContact O-N 3.14Å; S240-V244 WeakPolarHBondContact O-CG2 3.22Å; S240-V244 PolarHBondContact O-N 2.91Å |
| 241 | K | 92.8 | Very high | 90.9 | Very high | 135 Ų | 135 | 98.5 Ų | 98.5 | 59% | 0.587 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -56.8 | -42.4 | 173.5 | -76.1 | 161.1 | 180 | 148.7 | 0 | 111.9 | S237 H245 | S237-K241 VanDerWaalsContact O-CB 3.28Å; S237-K241 WeakPolarHBondContact O-CB 3.4Å; S237-K241 WeakPolarHBondContact O-CD 3.45Å; S237-K241 WeakPolarHBondContact O-CG 3.41Å; S237-K241 PolarHBondContact O-N 3.25Å; S237-K241 WeakPolarHBondContact OG-CE 3.47Å; S237-K241 PolarHBondContact OG-NZ 3.48Å; K241-H245 WeakPolarHBondContact O-CB 3.28Å; K241-H245 PolarHBondContact O-N 3.44Å |
| 242 | S | 91.7 | Very high | 91.4 | Very high | 76 Ų | 76 | 95.8 Ų | 95.8 | 53% | 0.531 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.7 | -35.9 | 177.6 | -168.2 | 0 | 0 | 0 | 0 | 112.9 | H238 A239 S240 A246 | H238-S242 WeakPolarHBondContact O-CB 3.44Å; H238-S242 PolarHBondContact O-N 3.5Å; A239-S242 PolarHBondContact O-N 3.04Å; S240-S242 VanDerWaalsContact C-N 3.31Å; S240-S242 PolarHBondContact O-N 2.96Å; S242-A246 PolarHBondContact O-N 3.28Å; S242-A246 VanDerWaalsContact O-N 3.15Å |
| 243 | A | 92.8 | Very high | 91.8 | Very high | 56 Ų | 56 | 89.4 Ų | 89.4 | 46% | 0.463 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.8 | -47.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | A239 S240 H245 A246 E247 | A239-A243 PolarHBondContact O-N 3.22Å; S240-A243 PolarHBondContact O-N 3.49Å; S240-A243 VanDerWaalsContact O-N 3.14Å; A243-H245 VanDerWaalsContact C-N 3.31Å; A243-H245 PolarHBondContact O-N 3.16Å; A243-A246 PolarHBondContact O-N 3.04Å; A243-E247 PolarHBondContact O-N 3.11Å |
| 244 | V | 94.3 | Very high | 92.1 | Very high | 67 Ų | 67 | 89.4 Ų | 89.4 | 41% | 0.406 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.4 | -43.5 | 174.7 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | S240 A246 E247 E248 | S240-V244 WeakPolarHBondContact O-CG2 3.22Å; S240-V244 PolarHBondContact O-N 2.91Å; V244-A246 PolarHBondContact O-N 2.87Å; V244-E247 WeakPolarHBondContact O-CB 3.37Å; V244-E247 PolarHBondContact O-N 2.63Å; V244-E248 HydrophobicContact CG1-CG 4.23Å; V244-E248 WeakPolarHBondContact O-CB 3.43Å; V244-E248 VanDerWaalsContact O-CG 3.29Å; V244-E248 WeakPolarHBondContact O-CG 3.34Å; V244-E248 PolarHBondContact O-N 2.88Å |
| 245 | H | 93.6 | Very high | 92.4 | Very high | 124 Ų | 124 | 91.8 Ų | 91.8 | 57% | 0.574 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.6 | -35.6 | 179.5 | -165.5 | 54.9 | 0 | 0 | 0 | 113 | K241 A243 E248 W249 | K241-H245 WeakPolarHBondContact O-CB 3.28Å; K241-H245 PolarHBondContact O-N 3.44Å; A243-H245 VanDerWaalsContact C-N 3.31Å; A243-H245 PolarHBondContact O-N 3.16Å; H245-E248 IonicContact ND1-OE2 2.95Å; H245-E248 PolarHBondContact ND1-OE2 3.43Å; H245-E248 PolarHBondContact O-N 2.89Å; H245-W249 WeakPolarHBondContact O-CB 3.49Å; H245-W249 PolarHBondContact O-N 3.28Å |
| 246 | A | 91.2 | Very high | 92.7 | Very high | 45 Ų | 45 | 93 Ų | 93 | 37% | 0.372 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.6 | -44 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S242 A243 V244 W249 F250 | S242-A246 PolarHBondContact O-N 3.28Å; S242-A246 VanDerWaalsContact O-N 3.15Å; A243-A246 PolarHBondContact O-N 3.04Å; V244-A246 PolarHBondContact O-N 2.87Å; A246-W249 PolarHBondContact O-N 2.87Å; A246-F250 WeakPolarHBondContact O-CD2 3.44Å; A246-F250 PolarHBondContact O-N 3.17Å |
| 247 | E | 93 | Very high | 93 | Very high | 102 Ų | 102 | 94 Ų | 94 | 48% | 0.477 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 173.2 | -80.8 | -169.2 | -142.2 | 0 | 0 | 112.8 | A243 V244 W249 F250 K251 | A243-E247 PolarHBondContact O-N 3.11Å; V244-E247 WeakPolarHBondContact O-CB 3.37Å; V244-E247 PolarHBondContact O-N 2.63Å; E247-W249 VanDerWaalsContact C-N 3.32Å; E247-W249 PolarHBondContact O-N 3.35Å; E247-F250 PolarHBondContact O-N 3.06Å; E247-K251 VanDerWaalsContact O-CB 3.31Å; E247-K251 WeakPolarHBondContact O-CB 3.4Å; E247-K251 VanDerWaalsContact O-CD 3.31Å; E247-K251 WeakPolarHBondContact O-CD 3.42Å; E247-K251 WeakPolarHBondContact O-CG 3.4Å; E247-K251 PolarHBondContact O-N 2.92Å; E247-K251 WeakPolarHBondContact OE2-CE 3.46Å; E247-K251 IonicContact OE2-NZ 2.75Å; E247-K251 PolarHBondContact OE2-NZ 2.91Å |
| 248 | E | 93.3 | Very high | 93.2 | Very high | 105 Ų | 105 | 101 Ų | 101 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60 | -42.2 | 175.2 | -76.2 | 173.3 | 163.9 | 0 | 0 | 111.4 | V244 H245 K251 A252 | V244-E248 HydrophobicContact CG1-CG 4.23Å; V244-E248 WeakPolarHBondContact O-CB 3.43Å; V244-E248 VanDerWaalsContact O-CG 3.29Å; V244-E248 WeakPolarHBondContact O-CG 3.34Å; V244-E248 PolarHBondContact O-N 2.88Å; H245-E248 IonicContact ND1-OE2 2.95Å; H245-E248 PolarHBondContact ND1-OE2 3.43Å; H245-E248 PolarHBondContact O-N 2.89Å; E248-K251 PolarHBondContact O-N 3.44Å; E248-A252 VanDerWaalsContact O-CB 3.25Å; E248-A252 WeakPolarHBondContact O-CB 3.45Å; E248-A252 PolarHBondContact O-N 3.16Å |
| 249 | W | 94.6 | Very high | 93.5 | Very high | 166 Ų | 166 | 99.9 Ų | 99.9 | 63% | 0.629 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.8 | -46.7 | 176.1 | -173 | 89.3 | 0 | 0 | 0 | 111.8 | H245 A246 E247 A252 A253 | H245-W249 WeakPolarHBondContact O-CB 3.49Å; H245-W249 PolarHBondContact O-N 3.28Å; A246-W249 PolarHBondContact O-N 2.87Å; E247-W249 VanDerWaalsContact C-N 3.32Å; E247-W249 PolarHBondContact O-N 3.35Å; W249-A252 PolarHBondContact O-N 3.08Å; W249-A253 WeakPolarHBondContact O-CB 3.4Å; W249-A253 PolarHBondContact O-N 3.25Å |
| 250 | F | 93.3 | Very high | 93.8 | Very high | 125 Ų | 125 | 99.3 Ų | 99.3 | 55% | 0.548 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 174.1 | -73.1 | -62.2 | 0 | 0 | 0 | 112.3 | A246 E247 A252 A253 V254 | A246-F250 WeakPolarHBondContact O-CD2 3.44Å; A246-F250 PolarHBondContact O-N 3.17Å; E247-F250 PolarHBondContact O-N 3.06Å; F250-A252 VanDerWaalsContact C-N 3.29Å; F250-A252 PolarHBondContact O-N 3.33Å; F250-A253 PolarHBondContact O-N 3.02Å; F250-V254 WeakPolarHBondContact O-CG2 3.42Å; F250-V254 PolarHBondContact O-N 3.41Å |
| 251 | K | 94.8 | Very high | 94 | Very high | 112 Ų | 112 | 99.4 Ų | 99.4 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.1 | -34.8 | 175.9 | -70.5 | 161.3 | -167.3 | 170 | 0 | 111.6 | E247 E248 R255 | E247-K251 VanDerWaalsContact O-CB 3.31Å; E247-K251 WeakPolarHBondContact O-CB 3.4Å; E247-K251 VanDerWaalsContact O-CD 3.31Å; E247-K251 WeakPolarHBondContact O-CD 3.42Å; E247-K251 WeakPolarHBondContact O-CG 3.4Å; E247-K251 PolarHBondContact O-N 2.92Å; E247-K251 WeakPolarHBondContact OE2-CE 3.46Å; E247-K251 IonicContact OE2-NZ 2.75Å; E247-K251 PolarHBondContact OE2-NZ 2.91Å; E248-K251 PolarHBondContact O-N 3.44Å; K251-R255 VanDerWaalsContact O-CB 3.24Å; K251-R255 WeakPolarHBondContact O-CB 3.28Å; K251-R255 PolarHBondContact O-N 2.99Å; K251-R255 VanDerWaalsContact O-N 3.09Å |
| 252 | A | 92.4 | Very high | 94.1 | Very high | 38 Ų | 38 | 95.8 Ų | 95.8 | 31% | 0.314 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.3 | -43.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E248 W249 F250 R255 M256 | E248-A252 VanDerWaalsContact O-CB 3.25Å; E248-A252 WeakPolarHBondContact O-CB 3.45Å; E248-A252 PolarHBondContact O-N 3.16Å; W249-A252 PolarHBondContact O-N 3.08Å; F250-A252 VanDerWaalsContact C-N 3.29Å; F250-A252 PolarHBondContact O-N 3.33Å; A252-R255 WeakPolarHBondContact O-CB 3.38Å; A252-R255 PolarHBondContact O-N 2.75Å; A252-M256 PolarHBondContact O-N 3.04Å |
| 253 | A | 93.7 | Very high | 94.3 | Very high | 40 Ų | 40 | 94.5 Ų | 94.5 | 33% | 0.331 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.5 | -50.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | W249 F250 R255 M256 E257 | W249-A253 WeakPolarHBondContact O-CB 3.4Å; W249-A253 PolarHBondContact O-N 3.25Å; F250-A253 PolarHBondContact O-N 3.02Å; A253-R255 VanDerWaalsContact C-N 3.26Å; A253-R255 PolarHBondContact O-N 3.38Å; A253-M256 PolarHBondContact O-N 2.85Å; A253-M256 VanDerWaalsContact O-N 3.1Å; A253-E257 PolarHBondContact O-N 2.79Å |
| 254 | V | 95.5 | Very high | 94.5 | Very high | 59 Ų | 59 | 98.5 Ų | 98.5 | 36% | 0.358 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.1 | -31.6 | 175.8 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | F250 R258 | F250-V254 WeakPolarHBondContact O-CG2 3.42Å; F250-V254 PolarHBondContact O-N 3.41Å; V254-R258 WeakPolarHBondContact O-CB 3.26Å; V254-R258 VanDerWaalsContact O-CG 3.25Å; V254-R258 WeakPolarHBondContact O-CG 3.23Å; V254-R258 PolarHBondContact O-N 2.74Å |
| 255 | R | 94.4 | Very high | 94.6 | Very high | 159 Ų | 159 | 99.2 Ų | 99.2 | 60% | 0.6 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.6 | -41.2 | 172.7 | -171.4 | -175.1 | -65.2 | 133 | -3.2 | 111.7 | K251 A252 A253 L259 | K251-R255 VanDerWaalsContact O-CB 3.24Å; K251-R255 WeakPolarHBondContact O-CB 3.28Å; K251-R255 PolarHBondContact O-N 2.99Å; K251-R255 VanDerWaalsContact O-N 3.09Å; A252-R255 WeakPolarHBondContact O-CB 3.38Å; A252-R255 PolarHBondContact O-N 2.75Å; A253-R255 VanDerWaalsContact C-N 3.26Å; A253-R255 PolarHBondContact O-N 3.38Å; R255-L259 HydrophobicContact CG-CD1 4.21Å; R255-L259 WeakPolarHBondContact O-CB 3.31Å; R255-L259 VanDerWaalsContact O-CG 3.25Å; R255-L259 WeakPolarHBondContact O-CG 3.46Å; R255-L259 PolarHBondContact O-N 3.16Å |
| 256 | M | 93.5 | Very high | 94.8 | Very high | 142 Ų | 142 | 98 Ų | 98 | 70% | 0.7 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.5 | -40.9 | 174.6 | -76.2 | -169 | 172.4 | 0 | 0 | 112.3 | A252 A253 L259 S260 | A252-M256 PolarHBondContact O-N 3.04Å; A253-M256 PolarHBondContact O-N 2.85Å; A253-M256 VanDerWaalsContact O-N 3.1Å; M256-L259 PolarHBondContact O-N 3.05Å; M256-S260 WeakPolarHBondContact O-CB 3.44Å; M256-S260 PolarHBondContact O-N 3.04Å |
| 257 | E | 94.8 | Very high | 95.1 | Very high | 119 Ų | 119 | 102.1 Ų | 102.1 | 56% | 0.556 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.3 | -49.3 | 175.2 | -175.4 | 172.9 | -136.8 | 0 | 0 | 111.3 | A253 L259 S260 D261 | A253-E257 PolarHBondContact O-N 2.79Å; E257-L259 VanDerWaalsContact C-N 3.3Å; E257-L259 PolarHBondContact O-N 3.47Å; E257-S260 WeakPolarHBondContact O-CA 3.16Å; E257-S260 VanDerWaalsContact O-CB 3.32Å; E257-S260 WeakPolarHBondContact O-CB 3.3Å; E257-S260 PolarHBondContact O-N 3.01Å; E257-S260 VanDerWaalsContact O-N 3.11Å; E257-D261 PolarHBondContact O-N 2.96Å |
| 258 | R | 95.5 | Very high | 95.3 | Very high | 184 Ų | 184 | 101.2 Ų | 101.2 | 69% | 0.694 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.8 | -35.6 | 175 | -71.8 | 173.4 | -177.3 | -161.2 | 1.1 | 113.4 | V254 A262 | V254-R258 WeakPolarHBondContact O-CB 3.26Å; V254-R258 VanDerWaalsContact O-CG 3.25Å; V254-R258 WeakPolarHBondContact O-CG 3.23Å; V254-R258 PolarHBondContact O-N 2.74Å; R258-A262 VanDerWaalsContact O-CB 3.3Å; R258-A262 WeakPolarHBondContact O-CB 3.13Å; R258-A262 PolarHBondContact O-N 3.47Å |
| 259 | L | 95.6 | Very high | 95.4 | Very high | 114 Ų | 114 | 99.3 Ų | 99.3 | 60% | 0.597 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -71.5 | -36.9 | 174.8 | -72.9 | 168.2 | 0 | 0 | 0 | 112 | R255 M256 E257 A263 | R255-L259 HydrophobicContact CG-CD1 4.21Å; R255-L259 WeakPolarHBondContact O-CB 3.31Å; R255-L259 VanDerWaalsContact O-CG 3.25Å; R255-L259 WeakPolarHBondContact O-CG 3.46Å; R255-L259 PolarHBondContact O-N 3.16Å; M256-L259 PolarHBondContact O-N 3.05Å; E257-L259 VanDerWaalsContact C-N 3.3Å; E257-L259 PolarHBondContact O-N 3.47Å; L259-A263 WeakPolarHBondContact O-CB 3.33Å; L259-A263 PolarHBondContact O-N 3.39Å |
| 260 | S | 96.3 | Very high | 95.5 | Very high | 48 Ų | 48 | 95.1 Ų | 95.1 | 34% | 0.336 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61 | -47 | 171.2 | 162.1 | 0 | 0 | 0 | 0 | 111.1 | M256 E257 A263 R264 | M256-S260 WeakPolarHBondContact O-CB 3.44Å; M256-S260 PolarHBondContact O-N 3.04Å; E257-S260 WeakPolarHBondContact O-CA 3.16Å; E257-S260 VanDerWaalsContact O-CB 3.32Å; E257-S260 WeakPolarHBondContact O-CB 3.3Å; E257-S260 PolarHBondContact O-N 3.01Å; E257-S260 VanDerWaalsContact O-N 3.11Å; S260-A263 WeakPolarHBondContact O-CB 3.21Å; S260-A263 PolarHBondContact O-N 3.48Å; S260-R264 WeakPolarHBondContact O-CG 3.34Å; S260-R264 PolarHBondContact O-N 3.33Å |
| 261 | D | 96.4 | Very high | 95.7 | Very high | 72 Ų | 72 | 94.9 Ų | 94.9 | 39% | 0.385 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -72.5 | -34.1 | -178.9 | -69.2 | -20.8 | 0 | 0 | 0 | 112.9 | E257 A263 R264 S265 | E257-D261 PolarHBondContact O-N 2.96Å; D261-A263 VanDerWaalsContact C-N 3.33Å; D261-R264 PolarHBondContact O-N 3.4Å; D261-R264 WeakPolarHBondContact OD1-CD 3.39Å; D261-R264 IonicContact OD1-CZ 2.76Å; D261-R264 IonicContact OD1-NE 3.14Å; D261-R264 IonicContact OD1-NH1 3.62Å; D261-R264 PolarHBondContact OD1-NH1 3.13Å; D261-S265 VanDerWaalsContact O-CB 3.32Å; D261-S265 WeakPolarHBondContact O-CB 3.48Å; D261-S265 PolarHBondContact O-N 3.32Å |
| 262 | A | 95.9 | Very high | 95.8 | Very high | 59 Ų | 59 | 90.7 Ų | 90.7 | 49% | 0.488 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R258 N266 | R258-A262 VanDerWaalsContact O-CB 3.3Å; R258-A262 WeakPolarHBondContact O-CB 3.13Å; R258-A262 PolarHBondContact O-N 3.47Å; A262-N266 WeakPolarHBondContact O-CB 3.36Å; A262-N266 PolarHBondContact O-N 3.35Å |
| 263 | A | 96.3 | Very high | 95.9 | Very high | 48 Ų | 48 | 91.3 Ų | 91.3 | 40% | 0.397 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.9 | -41.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L259 S260 D261 N266 Q267 | L259-A263 WeakPolarHBondContact O-CB 3.33Å; L259-A263 PolarHBondContact O-N 3.39Å; S260-A263 WeakPolarHBondContact O-CB 3.21Å; S260-A263 PolarHBondContact O-N 3.48Å; D261-A263 VanDerWaalsContact C-N 3.33Å; A263-N266 PolarHBondContact O-N 3.18Å; A263-Q267 WeakPolarHBondContact O-CG 3.38Å; A263-Q267 PolarHBondContact O-N 2.73Å |
| 264 | R | 96.7 | Very high | 96 | Very high | 140 Ų | 140 | 95.2 Ų | 95.2 | 53% | 0.528 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.8 | -50.1 | 173.3 | -72.1 | 165.4 | 175.1 | 166 | -4.9 | 111.7 | S260 D261 N266 Q267 D268 | S260-R264 WeakPolarHBondContact O-CG 3.34Å; S260-R264 PolarHBondContact O-N 3.33Å; D261-R264 PolarHBondContact O-N 3.4Å; D261-R264 WeakPolarHBondContact OD1-CD 3.39Å; D261-R264 IonicContact OD1-CZ 2.76Å; D261-R264 IonicContact OD1-NE 3.14Å; D261-R264 IonicContact OD1-NH1 3.62Å; D261-R264 PolarHBondContact OD1-NH1 3.13Å; R264-N266 VanDerWaalsContact C-N 3.28Å; R264-N266 PolarHBondContact O-N 3.02Å; R264-Q267 WeakPolarHBondContact O-CB 3.28Å; R264-Q267 PolarHBondContact O-N 2.88Å; R264-D268 PolarHBondContact O-N 3.25Å |
| 265 | S | 97 | Very high | 96.1 | Very high | 83 Ų | 83 | 97.4 Ų | 97.4 | 58% | 0.58 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.1 | -39.1 | 177.7 | -176.5 | 0 | 0 | 0 | 0 | 112.1 | D261 D268 A269 | D261-S265 VanDerWaalsContact O-CB 3.32Å; D261-S265 WeakPolarHBondContact O-CB 3.48Å; D261-S265 PolarHBondContact O-N 3.32Å; S265-D268 PolarHBondContact O-N 2.93Å; S265-A269 WeakPolarHBondContact O-CB 3.45Å; S265-A269 PolarHBondContact O-N 2.92Å |
| 266 | N | 96.8 | Very high | 96.1 | Very high | 97 Ų | 97 | 95.3 Ų | 95.3 | 52% | 0.519 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.4 | -41.2 | 173.4 | -167.9 | 8.8 | 0 | 0 | 0 | 112.1 | A262 A263 R264 D268 A269 I270 | A262-N266 WeakPolarHBondContact O-CB 3.36Å; A262-N266 PolarHBondContact O-N 3.35Å; A263-N266 PolarHBondContact O-N 3.18Å; R264-N266 VanDerWaalsContact C-N 3.28Å; R264-N266 PolarHBondContact O-N 3.02Å; N266-D268 PolarHBondContact O-N 3.5Å; N266-A269 PolarHBondContact O-N 3.49Å; N266-I270 WeakPolarHBondContact O-CB 3.34Å; N266-I270 WeakPolarHBondContact O-CD1 3.4Å; N266-I270 VanDerWaalsContact O-CG1 3.22Å; N266-I270 WeakPolarHBondContact O-CG1 3.5Å; N266-I270 PolarHBondContact O-N 2.92Å |
| 267 | Q | 97.1 | Very high | 96.3 | Very high | 132 Ų | 132 | 92.2 Ų | 92.2 | 62% | 0.617 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.3 | -41.9 | 174.1 | -76.5 | 175.5 | -20.3 | 0 | 0 | 112.4 | A263 R264 I270 R271 | A263-Q267 WeakPolarHBondContact O-CG 3.38Å; A263-Q267 PolarHBondContact O-N 2.73Å; R264-Q267 WeakPolarHBondContact O-CB 3.28Å; R264-Q267 PolarHBondContact O-N 2.88Å; Q267-I270 PolarHBondContact O-N 2.91Å; Q267-R271 WeakPolarHBondContact O-CB 3.32Å; Q267-R271 PolarHBondContact O-N 3.18Å |
| 268 | D | 96.7 | Very high | 96.3 | Very high | 84 Ų | 84 | 88.4 Ų | 88.4 | 45% | 0.449 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.2 | -36 | 175.7 | -85.7 | -45.6 | 0 | 0 | 0 | 112.8 | R264 S265 N266 R271 G272 | R264-D268 PolarHBondContact O-N 3.25Å; S265-D268 PolarHBondContact O-N 2.93Å; N266-D268 PolarHBondContact O-N 3.5Å; D268-R271 PolarHBondContact O-N 3.38Å; D268-R271 IonicContact OD1-CZ 3.48Å; D268-R271 VanDerWaalsContact OD1-CZ 3.3Å; D268-R271 IonicContact OD1-NE 3.59Å; D268-R271 PolarHBondContact OD1-NE 3.44Å; D268-R271 IonicContact OD1-NH2 2.68Å; D268-R271 PolarHBondContact OD1-NH2 2.87Å; D268-G272 PolarHBondContact O-N 3.1Å |
| 269 | A | 96 | Very high | 96.4 | Very high | 64 Ų | 64 | 83.1 Ų | 83.1 | 53% | 0.529 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | S265 N266 G272 S273 | S265-A269 WeakPolarHBondContact O-CB 3.45Å; S265-A269 PolarHBondContact O-N 2.92Å; N266-A269 PolarHBondContact O-N 3.49Å; A269-G272 PolarHBondContact O-N 2.67Å; A269-S273 PolarHBondContact O-N 2.98Å |
| 270 | I | 96.5 | Very high | 96.4 | Very high | 78 Ų | 78 | 84.7 Ų | 84.7 | 40% | 0.4 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.9 | -46.5 | 173 | -70.5 | 164.6 | 0 | 0 | 0 | 109.9 | N266 Q267 S273 Q274 | N266-I270 WeakPolarHBondContact O-CB 3.34Å; N266-I270 WeakPolarHBondContact O-CD1 3.4Å; N266-I270 VanDerWaalsContact O-CG1 3.22Å; N266-I270 WeakPolarHBondContact O-CG1 3.5Å; N266-I270 PolarHBondContact O-N 2.92Å; Q267-I270 PolarHBondContact O-N 2.91Å; I270-S273 PolarHBondContact O-N 2.9Å; I270-S273 PolarHBondContact O-OG 2.87Å; I270-Q274 WeakPolarHBondContact O-CG 3.33Å; I270-Q274 PolarHBondContact O-N 3.44Å |
| 271 | R | 97.8 | Very high | 96.4 | Very high | 121 Ų | 121 | 90.2 Ų | 90.2 | 46% | 0.457 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.1 | -45.9 | 177.3 | -177.3 | 175.4 | 63.4 | 79.3 | -2.1 | 112 | Q267 D268 S273 Q274 E275 | Q267-R271 WeakPolarHBondContact O-CB 3.32Å; Q267-R271 PolarHBondContact O-N 3.18Å; D268-R271 PolarHBondContact O-N 3.38Å; D268-R271 IonicContact OD1-CZ 3.48Å; D268-R271 VanDerWaalsContact OD1-CZ 3.3Å; D268-R271 IonicContact OD1-NE 3.59Å; D268-R271 PolarHBondContact OD1-NE 3.44Å; D268-R271 IonicContact OD1-NH2 2.68Å; D268-R271 PolarHBondContact OD1-NH2 2.87Å; R271-S273 PolarHBondContact O-N 3.45Å; R271-Q274 WeakPolarHBondContact O-CB 3.45Å; R271-Q274 PolarHBondContact O-N 3.47Å; R271-Q274 VanDerWaalsContact O-N 3.11Å; R271-E275 VanDerWaalsContact CG-OE1 3.25Å; R271-E275 WeakPolarHBondContact CG-OE1 3.44Å; R271-E275 IonicContact CZ-OE1 2.63Å; R271-E275 IonicContact NH1-OE1 3.65Å; R271-E275 PolarHBondContact NH1-OE1 2.95Å; R271-E275 IonicContact NH1-OE2 3.92Å; R271-E275 PolarHBondContact NH1-OE2 3.49Å; R271-E275 WeakPolarHBondContact O-CG 3.47Å; R271-E275 PolarHBondContact O-N 3.31Å |
| 272 | G | 96.5 | Very high | 96.3 | Very high | 23 Ų | 23 | 94.4 Ų | 94.4 | 24% | 0.237 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -56.8 | -47.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D268 A269 Q274 E275 E276 | D268-G272 PolarHBondContact O-N 3.1Å; A269-G272 PolarHBondContact O-N 2.67Å; G272-Q274 VanDerWaalsContact C-N 3.28Å; G272-Q274 PolarHBondContact O-N 3.34Å; G272-E275 PolarHBondContact O-N 3.35Å; G272-E275 VanDerWaalsContact O-N 3.16Å; G272-E276 WeakPolarHBondContact O-CG 3.44Å; G272-E276 PolarHBondContact O-N 2.88Å |
| 273 | S | 94.1 | Very high | 96.3 | Very high | 51 Ų | 51 | 96.1 Ų | 96.1 | 36% | 0.357 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.9 | -31.8 | 176.1 | 76.1 | 0 | 0 | 0 | 0 | 113.4 | A269 I270 R271 I277 | A269-S273 PolarHBondContact O-N 2.98Å; I270-S273 PolarHBondContact O-N 2.9Å; I270-S273 PolarHBondContact O-OG 2.87Å; R271-S273 PolarHBondContact O-N 3.45Å; S273-I277 WeakPolarHBondContact O-CB 3.43Å; S273-I277 WeakPolarHBondContact O-CD1 3.34Å; S273-I277 WeakPolarHBondContact O-CG1 3.36Å; S273-I277 PolarHBondContact O-N 3.11Å |
| 274 | Q | 97.6 | Very high | 96.1 | Very high | 123 Ų | 123 | 99.4 Ų | 99.4 | 58% | 0.575 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -73.2 | -37.1 | 174.6 | -70.9 | 177.2 | 16 | 0 | 0 | 112.4 | I270 R271 G272 I277 A278 | I270-Q274 WeakPolarHBondContact O-CG 3.33Å; I270-Q274 PolarHBondContact O-N 3.44Å; R271-Q274 WeakPolarHBondContact O-CB 3.45Å; R271-Q274 PolarHBondContact O-N 3.47Å; R271-Q274 VanDerWaalsContact O-N 3.11Å; G272-Q274 VanDerWaalsContact C-N 3.28Å; G272-Q274 PolarHBondContact O-N 3.34Å; Q274-I277 PolarHBondContact O-N 2.89Å; Q274-A278 WeakPolarHBondContact O-CB 3.18Å; Q274-A278 PolarHBondContact O-N 2.89Å |
| 275 | E | 96.8 | Very high | 96.1 | Very high | 105 Ų | 105 | 98.7 Ų | 98.7 | 49% | 0.491 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 173.4 | -72.8 | 169.9 | -164.8 | 0 | 0 | 110.7 | R271 G272 A278 E279 | R271-E275 VanDerWaalsContact CG-OE1 3.25Å; R271-E275 WeakPolarHBondContact CG-OE1 3.44Å; R271-E275 IonicContact CZ-OE1 2.63Å; R271-E275 IonicContact NH1-OE1 3.65Å; R271-E275 PolarHBondContact NH1-OE1 2.95Å; R271-E275 IonicContact NH1-OE2 3.92Å; R271-E275 PolarHBondContact NH1-OE2 3.49Å; R271-E275 WeakPolarHBondContact O-CG 3.47Å; R271-E275 PolarHBondContact O-N 3.31Å; G272-E275 PolarHBondContact O-N 3.35Å; G272-E275 VanDerWaalsContact O-N 3.16Å; E275-A278 PolarHBondContact O-N 3.43Å; E275-E279 WeakPolarHBondContact O-CB 3.37Å; E275-E279 PolarHBondContact O-N 3.35Å |
| 276 | E | 94.3 | Very high | 95.7 | Very high | 114 Ų | 114 | 97.5 Ų | 97.5 | 53% | 0.533 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.5 | -49.4 | 171.1 | -74 | 177.9 | -155.8 | 0 | 0 | 112.3 | G272 A278 E279 Y280 | G272-E276 WeakPolarHBondContact O-CG 3.44Å; G272-E276 PolarHBondContact O-N 2.88Å; E276-A278 VanDerWaalsContact C-N 3.28Å; E276-A278 PolarHBondContact O-N 2.93Å; E276-E279 PolarHBondContact O-N 2.91Å; E276-E279 VanDerWaalsContact O-N 3.1Å; E276-Y280 HydrophobicContact CB-CD2 4.38Å; E276-Y280 HydrophobicContact CB-CE2 4.06Å; E276-Y280 WeakPolarHBondContact O-CD2 3.45Å; E276-Y280 PolarHBondContact O-N 3.48Å |
| 277 | I | 96.8 | Very high | 95.1 | Very high | 78 Ų | 78 | 100.6 Ų | 100.6 | 40% | 0.4 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61 | -36.8 | 177.5 | -73 | 164.8 | 0 | 0 | 0 | 111.6 | S273 Q274 R281 | S273-I277 WeakPolarHBondContact O-CB 3.43Å; S273-I277 WeakPolarHBondContact O-CD1 3.34Å; S273-I277 WeakPolarHBondContact O-CG1 3.36Å; S273-I277 PolarHBondContact O-N 3.11Å; Q274-I277 PolarHBondContact O-N 2.89Å; I277-R281 VanDerWaalsContact CG2-CZ 3.47Å; I277-R281 WeakPolarHBondContact O-CB 3.32Å; I277-R281 WeakPolarHBondContact O-CD 3.39Å; I277-R281 WeakPolarHBondContact O-CG 3.49Å; I277-R281 PolarHBondContact O-N 3.44Å; I277-R281 VanDerWaalsContact O-N 3.15Å |
| 278 | A | 95.7 | Very high | 94.8 | Very high | 38 Ų | 38 | 97 Ų | 97 | 31% | 0.314 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.3 | -38.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q274 E275 E276 R281 R282 | Q274-A278 WeakPolarHBondContact O-CB 3.18Å; Q274-A278 PolarHBondContact O-N 2.89Å; E275-A278 PolarHBondContact O-N 3.43Å; E276-A278 VanDerWaalsContact C-N 3.28Å; E276-A278 PolarHBondContact O-N 2.93Å; A278-R281 PolarHBondContact O-N 3.45Å; A278-R282 WeakPolarHBondContact O-CG 3.46Å; A278-R282 PolarHBondContact O-N 2.93Å; A278-R282 VanDerWaalsContact O-N 3.09Å |
| 279 | E | 96.8 | Very high | 94.6 | Very high | 73 Ų | 73 | 98 Ų | 98 | 34% | 0.341 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -72.2 | -43.9 | 178.7 | -173.4 | 49.7 | -143.3 | 0 | 0 | 112.1 | E275 E276 R281 R282 Q283 | E275-E279 WeakPolarHBondContact O-CB 3.37Å; E275-E279 PolarHBondContact O-N 3.35Å; E276-E279 PolarHBondContact O-N 2.91Å; E276-E279 VanDerWaalsContact O-N 3.1Å; E279-R281 PolarHBondContact O-N 2.93Å; E279-R282 WeakPolarHBondContact O-CB 3.34Å; E279-R282 PolarHBondContact O-N 3Å; E279-R282 VanDerWaalsContact O-N 3.08Å; E279-R282 WeakPolarHBondContact OE2-CD 3.34Å; E279-R282 IonicContact OE2-CZ 3.09Å; E279-R282 IonicContact OE2-NH1 2.96Å; E279-R282 PolarHBondContact OE2-NH1 3.31Å; E279-Q283 WeakPolarHBondContact O-CG 3.42Å; E279-Q283 PolarHBondContact O-N 3.42Å; E279-Q283 PolarHBondContact OE1-NE2 2.79Å |
| 280 | Y | 95.9 | Very high | 94.4 | Very high | 147 Ų | 147 | 98.5 Ų | 98.5 | 58% | 0.576 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -58.2 | -35.2 | 170.9 | -69.2 | -56.5 | 0 | 0 | 0 | 112.4 | E276 L284 | E276-Y280 HydrophobicContact CB-CD2 4.38Å; E276-Y280 HydrophobicContact CB-CE2 4.06Å; E276-Y280 WeakPolarHBondContact O-CD2 3.45Å; E276-Y280 PolarHBondContact O-N 3.48Å; Y280-L284 WeakPolarHBondContact O-CB 3.37Å; Y280-L284 PolarHBondContact O-N 3.44Å |
| 281 | R | 95.7 | Very high | 93.7 | Very high | 165 Ų | 165 | 99.3 Ų | 99.3 | 62% | 0.623 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66.5 | -41.4 | 173.6 | -75.5 | 167.6 | -179.1 | 164.5 | 2.1 | 112.6 | I277 A278 E279 Q285 | I277-R281 VanDerWaalsContact CG2-CZ 3.47Å; I277-R281 WeakPolarHBondContact O-CB 3.32Å; I277-R281 WeakPolarHBondContact O-CD 3.39Å; I277-R281 WeakPolarHBondContact O-CG 3.49Å; I277-R281 PolarHBondContact O-N 3.44Å; I277-R281 VanDerWaalsContact O-N 3.15Å; A278-R281 PolarHBondContact O-N 3.45Å; E279-R281 PolarHBondContact O-N 2.93Å; R281-Q285 WeakPolarHBondContact O-CG 3.45Å; R281-Q285 PolarHBondContact O-N 2.97Å |
| 282 | R | 95.3 | Very high | 93.5 | Very high | 159 Ų | 159 | 98.9 Ų | 98.9 | 60% | 0.6 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.3 | -43.4 | 174.2 | -71.6 | 174.1 | -176.1 | 149.2 | -1.8 | 111.7 | A278 E279 Q285 S286 | A278-R282 WeakPolarHBondContact O-CG 3.46Å; A278-R282 PolarHBondContact O-N 2.93Å; A278-R282 VanDerWaalsContact O-N 3.09Å; E279-R282 WeakPolarHBondContact O-CB 3.34Å; E279-R282 PolarHBondContact O-N 3Å; E279-R282 VanDerWaalsContact O-N 3.08Å; E279-R282 WeakPolarHBondContact OE2-CD 3.34Å; E279-R282 IonicContact OE2-CZ 3.09Å; E279-R282 IonicContact OE2-NH1 2.96Å; E279-R282 PolarHBondContact OE2-NH1 3.31Å; R282-Q285 PolarHBondContact O-N 3.31Å; R282-S286 PolarHBondContact O-N 2.87Å |
| 283 | Q | 95.8 | Very high | 93.1 | Very high | 95 Ų | 95 | 102 Ų | 102 | 44% | 0.444 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 178.3 | -69.3 | 176.1 | 18.8 | 0 | 0 | 111 | E279 Q285 S286 R287 | E279-Q283 WeakPolarHBondContact O-CG 3.42Å; E279-Q283 PolarHBondContact O-N 3.42Å; E279-Q283 PolarHBondContact OE1-NE2 2.79Å; Q283-Q285 PolarHBondContact O-N 2.87Å; Q283-S286 PolarHBondContact O-N 3.26Å; Q283-R287 WeakPolarHBondContact O-CG 3.48Å; Q283-R287 PolarHBondContact O-N 3.25Å |
| 284 | L | 93.3 | Very high | 92.3 | Very high | 117 Ų | 117 | 105.1 Ų | 105.1 | 61% | 0.613 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -56.8 | -47.9 | 171.9 | -178.4 | 63 | 0 | 0 | 0 | 111.4 | Y280 S286 R287 T288 | Y280-L284 WeakPolarHBondContact O-CB 3.37Å; Y280-L284 PolarHBondContact O-N 3.44Å; L284-S286 PolarHBondContact O-N 3.34Å; L284-R287 PolarHBondContact O-N 3.46Å; L284-T288 PolarHBondContact O-N 2.89Å; L284-T288 PolarHBondContact O-OG1 2.87Å; L284-T288 VanDerWaalsContact O-OG1 3.06Å |
| 285 | Q | 94.8 | Very high | 91.7 | Very high | 126 Ų | 126 | 106.4 Ų | 106.4 | 59% | 0.589 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.9 | -42.7 | 176.7 | -74.6 | 173.6 | -26 | 0 | 0 | 112.9 | R281 R282 Q283 T288 I289 | R281-Q285 WeakPolarHBondContact O-CG 3.45Å; R281-Q285 PolarHBondContact O-N 2.97Å; R282-Q285 PolarHBondContact O-N 3.31Å; Q283-Q285 PolarHBondContact O-N 2.87Å; Q285-T288 PolarHBondContact O-N 2.9Å; Q285-I289 WeakPolarHBondContact O-CG1 3.44Å; Q285-I289 PolarHBondContact O-N 3.35Å |
| 286 | S | 89 | Confident | 91.2 | Very high | 58 Ų | 58 | 103.2 Ų | 103.2 | 41% | 0.406 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.5 | -50.7 | 174.2 | -164.9 | 0 | 0 | 0 | 0 | 110.8 | R282 Q283 L284 T288 I289 E290 | R282-S286 PolarHBondContact O-N 2.87Å; Q283-S286 PolarHBondContact O-N 3.26Å; L284-S286 PolarHBondContact O-N 3.34Å; S286-T288 VanDerWaalsContact C-N 3.32Å; S286-T288 PolarHBondContact O-N 3.11Å; S286-I289 PolarHBondContact O-N 2.84Å; S286-I289 VanDerWaalsContact O-N 3.15Å; S286-E290 VanDerWaalsContact C-OE1 3.24Å; S286-E290 WeakPolarHBondContact CB-OE1 3.4Å; S286-E290 WeakPolarHBondContact O-CB 3.44Å; S286-E290 VanDerWaalsContact O-CG 3.27Å; S286-E290 WeakPolarHBondContact O-CG 3.32Å; S286-E290 PolarHBondContact O-N 3.46Å; S286-E290 PolarHBondContact OG-OE1 2.94Å |
| 287 | R | 85.4 | Confident | 90.6 | Very high | 161 Ų | 161 | 100.1 Ų | 100.1 | 61% | 0.608 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.7 | -31.7 | 179.4 | -60.6 | -40 | 178.7 | 97.1 | 0.3 | 112.9 | Q283 L284 E290 L291 | Q283-R287 WeakPolarHBondContact O-CG 3.48Å; Q283-R287 PolarHBondContact O-N 3.25Å; L284-R287 PolarHBondContact O-N 3.46Å; R287-E290 VanDerWaalsContact CD-CD 3.47Å; R287-E290 WeakPolarHBondContact CD-OE1 3.42Å; R287-E290 WeakPolarHBondContact CD-OE2 3.17Å; R287-E290 IonicContact NE-OE1 2.63Å; R287-E290 IonicContact NE-OE2 3.29Å; R287-L291 WeakPolarHBondContact O-CB 3.46Å; R287-L291 WeakPolarHBondContact O-CG 3.36Å; R287-L291 PolarHBondContact O-N 3.35Å |
| 288 | T | 89.4 | Confident | 89.9 | Confident | 58 Ų | 58 | 102 Ų | 102 | 36% | 0.356 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -47.3 | 171 | -63 | 0 | 0 | 0 | 0 | 111.2 | L284 Q285 S286 L291 E292 | L284-T288 PolarHBondContact O-N 2.89Å; L284-T288 PolarHBondContact O-OG1 2.87Å; L284-T288 VanDerWaalsContact O-OG1 3.06Å; Q285-T288 PolarHBondContact O-N 2.9Å; S286-T288 VanDerWaalsContact C-N 3.32Å; S286-T288 PolarHBondContact O-N 3.11Å; T288-L291 PolarHBondContact O-N 2.87Å; T288-E292 WeakPolarHBondContact CG2-OE1 3.22Å; T288-E292 WeakPolarHBondContact O-CB 3.33Å; T288-E292 WeakPolarHBondContact O-CG 3.49Å; T288-E292 PolarHBondContact O-N 3.25Å |
| 289 | I | 93.8 | Very high | 89.6 | Confident | 103 Ų | 103 | 104.3 Ų | 104.3 | 53% | 0.528 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.9 | -39.8 | 178.2 | -65 | 163.8 | 0 | 0 | 0 | 111.2 | Q285 S286 E292 T293 | Q285-I289 WeakPolarHBondContact O-CG1 3.44Å; Q285-I289 PolarHBondContact O-N 3.35Å; S286-I289 PolarHBondContact O-N 2.84Å; S286-I289 VanDerWaalsContact O-N 3.15Å; I289-E292 PolarHBondContact O-N 3.37Å; I289-T293 HydrophobicContact CG2-CG2 4.41Å; I289-T293 WeakPolarHBondContact O-CB 3.21Å; I289-T293 WeakPolarHBondContact O-CG2 3.4Å; I289-T293 PolarHBondContact O-N 3.29Å; I289-T293 PolarHBondContact O-OG1 2.97Å |
| 290 | E | 91.4 | Very high | 89.1 | Confident | 75 Ų | 75 | 104.1 Ų | 104.1 | 35% | 0.35 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 172.9 | -70.4 | 159.1 | -130 | 0 | 0 | 111.1 | S286 R287 T293 L294 | S286-E290 VanDerWaalsContact C-OE1 3.24Å; S286-E290 WeakPolarHBondContact CB-OE1 3.4Å; S286-E290 WeakPolarHBondContact O-CB 3.44Å; S286-E290 VanDerWaalsContact O-CG 3.27Å; S286-E290 WeakPolarHBondContact O-CG 3.32Å; S286-E290 PolarHBondContact O-N 3.46Å; S286-E290 PolarHBondContact OG-OE1 2.94Å; R287-E290 VanDerWaalsContact CD-CD 3.47Å; R287-E290 WeakPolarHBondContact CD-OE1 3.42Å; R287-E290 WeakPolarHBondContact CD-OE2 3.17Å; R287-E290 IonicContact NE-OE1 2.63Å; R287-E290 IonicContact NE-OE2 3.29Å; E290-T293 WeakPolarHBondContact CA-OG1 3.47Å; E290-T293 PolarHBondContact O-OG1 3.27Å; E290-L294 VanDerWaalsContact O-CB 3.31Å; E290-L294 WeakPolarHBondContact O-CB 3.46Å; E290-L294 WeakPolarHBondContact O-CG 3.36Å; E290-L294 PolarHBondContact O-N 2.87Å |
| 291 | L | 82.3 | Confident | 88.4 | Confident | 96 Ų | 96 | 102.4 Ų | 102.4 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.4 | -38 | 175.9 | -74.4 | 168.6 | 0 | 0 | 0 | 112.9 | R287 T288 R295 | R287-L291 WeakPolarHBondContact O-CB 3.46Å; R287-L291 WeakPolarHBondContact O-CG 3.36Å; R287-L291 PolarHBondContact O-N 3.35Å; T288-L291 PolarHBondContact O-N 2.87Å; L291-R295 WeakPolarHBondContact O-CB 3.28Å; L291-R295 WeakPolarHBondContact O-CD 3.35Å; L291-R295 WeakPolarHBondContact O-CG 3.37Å; L291-R295 PolarHBondContact O-N 3.02Å |
| 292 | E | 92.1 | Very high | 87.7 | Confident | 111 Ų | 111 | 98.3 Ų | 98.3 | 52% | 0.519 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.2 | -42.1 | 177.3 | -75.2 | 171 | -173.9 | 0 | 0 | 112 | T288 I289 R295 G296 | T288-E292 WeakPolarHBondContact CG2-OE1 3.22Å; T288-E292 WeakPolarHBondContact O-CB 3.33Å; T288-E292 WeakPolarHBondContact O-CG 3.49Å; T288-E292 PolarHBondContact O-N 3.25Å; I289-E292 PolarHBondContact O-N 3.37Å; E292-R295 PolarHBondContact O-N 3.22Å; E292-G296 PolarHBondContact O-N 3.4Å |
| 293 | T | 88.4 | Confident | 87.5 | Confident | 88 Ų | 88 | 98 Ų | 98 | 54% | 0.54 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.6 | -39.2 | 175.2 | 50.8 | 0 | 0 | 0 | 0 | 112.3 | I289 E290 G296 A297 | I289-T293 HydrophobicContact CG2-CG2 4.41Å; I289-T293 WeakPolarHBondContact O-CB 3.21Å; I289-T293 WeakPolarHBondContact O-CG2 3.4Å; I289-T293 PolarHBondContact O-N 3.29Å; I289-T293 PolarHBondContact O-OG1 2.97Å; E290-T293 WeakPolarHBondContact CA-OG1 3.47Å; E290-T293 PolarHBondContact O-OG1 3.27Å; T293-G296 PolarHBondContact O-N 2.96Å; T293-A297 WeakPolarHBondContact O-CB 3.42Å; T293-A297 PolarHBondContact O-N 3.3Å |
| 294 | L | 77.6 | Confident | 87.2 | Confident | 118 Ų | 118 | 99 Ų | 99 | 62% | 0.618 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67 | -35.4 | 173.4 | -72.1 | 170.9 | 0 | 0 | 0 | 112.7 | E290 K298 | E290-L294 VanDerWaalsContact O-CB 3.31Å; E290-L294 WeakPolarHBondContact O-CB 3.46Å; E290-L294 WeakPolarHBondContact O-CG 3.36Å; E290-L294 PolarHBondContact O-N 2.87Å; L294-K298 WeakPolarHBondContact O-CB 3.31Å; L294-K298 PolarHBondContact O-N 3.44Å |
| 295 | R | 85.6 | Confident | 86.4 | Confident | 150 Ų | 150 | 99.7 Ų | 99.7 | 57% | 0.566 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.3 | -49.1 | 170.6 | -77.8 | 166.5 | 179.4 | 160.3 | -0.8 | 111.4 | L291 E292 A297 K298 E299 | L291-R295 WeakPolarHBondContact O-CB 3.28Å; L291-R295 WeakPolarHBondContact O-CD 3.35Å; L291-R295 WeakPolarHBondContact O-CG 3.37Å; L291-R295 PolarHBondContact O-N 3.02Å; E292-R295 PolarHBondContact O-N 3.22Å; R295-A297 VanDerWaalsContact C-N 3.3Å; R295-A297 PolarHBondContact O-N 3.49Å; R295-K298 WeakPolarHBondContact O-CB 3.49Å; R295-K298 PolarHBondContact O-N 3.38Å; R295-K298 VanDerWaalsContact O-N 3.15Å; R295-E299 WeakPolarHBondContact O-CG 3.32Å; R295-E299 PolarHBondContact O-N 3.5Å |
| 296 | G | 85.3 | Confident | 86.2 | Confident | 37 Ų | 37 | 97.8 Ų | 97.8 | 38% | 0.381 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.9 | -40.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E292 T293 S300 | E292-G296 PolarHBondContact O-N 3.4Å; T293-G296 PolarHBondContact O-N 2.96Å; G296-S300 WeakPolarHBondContact O-CB 3.4Å; G296-S300 PolarHBondContact O-N 3.47Å |
| 297 | A | 81.3 | Confident | 86.3 | Confident | 49 Ų | 49 | 100.1 Ų | 100.1 | 41% | 0.405 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T293 R295 S300 L301 | T293-A297 WeakPolarHBondContact O-CB 3.42Å; T293-A297 PolarHBondContact O-N 3.3Å; R295-A297 VanDerWaalsContact C-N 3.3Å; R295-A297 PolarHBondContact O-N 3.49Å; A297-S300 PolarHBondContact O-N 3.17Å; A297-L301 WeakPolarHBondContact O-CG 3.36Å; A297-L301 PolarHBondContact O-N 2.84Å |
| 298 | K | 83.9 | Confident | 85.9 | Confident | 117 Ų | 117 | 94.1 Ų | 94.1 | 51% | 0.509 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -57.1 | -53.5 | 174.5 | -179.8 | -174.8 | 176.1 | -79.2 | 0 | 111 | L294 R295 S300 L301 E302 | L294-K298 WeakPolarHBondContact O-CB 3.31Å; L294-K298 PolarHBondContact O-N 3.44Å; R295-K298 WeakPolarHBondContact O-CB 3.49Å; R295-K298 PolarHBondContact O-N 3.38Å; R295-K298 VanDerWaalsContact O-N 3.15Å; K298-S300 VanDerWaalsContact C-N 3.25Å; K298-S300 PolarHBondContact O-N 2.89Å; K298-L301 PolarHBondContact O-N 3.5Å; K298-L301 VanDerWaalsContact O-N 3.15Å; K298-E302 WeakPolarHBondContact CE-OE1 3.45Å; K298-E302 HydrophobicContact CG-CG 4.45Å; K298-E302 IonicContact NZ-OE1 3.63Å; K298-E302 PolarHBondContact NZ-OE1 3.28Å; K298-E302 IonicContact NZ-OE2 3.44Å; K298-E302 PolarHBondContact NZ-OE2 3.36Å; K298-E302 WeakPolarHBondContact O-CG 3.32Å; K298-E302 PolarHBondContact O-N 2.87Å |
| 299 | E | 89 | Confident | 85.8 | Confident | 88 Ų | 88 | 95.2 Ų | 95.2 | 41% | 0.411 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.2 | -31.8 | 179.7 | -62.6 | 177.9 | -155.7 | 0 | 0 | 112.6 | R295 R303 | R295-E299 WeakPolarHBondContact O-CG 3.32Å; R295-E299 PolarHBondContact O-N 3.5Å; E299-R303 WeakPolarHBondContact O-CB 3.37Å; E299-R303 VanDerWaalsContact O-CG 3.28Å; E299-R303 WeakPolarHBondContact O-CG 3.24Å; E299-R303 PolarHBondContact O-N 3.08Å; E299-R303 PolarHBondContact O-NH1 2.77Å; E299-R303 IonicContact OE2-CZ 2.81Å; E299-R303 IonicContact OE2-NH1 2.71Å; E299-R303 PolarHBondContact OE2-NH1 3.31Å; E299-R303 VanDerWaalsContact OE2-NH1 3.14Å; E299-R303 IonicContact OE2-NH2 3.91Å; E299-R303 PolarHBondContact OE2-NH2 3Å |
| 300 | S | 85.3 | Confident | 85.7 | Confident | 69 Ų | 69 | 94.5 Ų | 94.5 | 48% | 0.483 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.9 | -40.2 | 175.2 | -168.8 | 0 | 0 | 0 | 0 | 111.8 | G296 A297 K298 Q304 | G296-S300 WeakPolarHBondContact O-CB 3.4Å; G296-S300 PolarHBondContact O-N 3.47Å; A297-S300 PolarHBondContact O-N 3.17Å; K298-S300 VanDerWaalsContact C-N 3.25Å; K298-S300 PolarHBondContact O-N 2.89Å; S300-Q304 WeakPolarHBondContact O-CB 3.38Å; S300-Q304 PolarHBondContact O-N 3.43Å |
| 301 | L | 80.8 | Confident | 85.7 | Confident | 110 Ų | 110 | 96 Ų | 96 | 58% | 0.576 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -70.9 | -37.1 | 175.6 | -69.7 | 170.2 | 0 | 0 | 0 | 111.6 | A297 K298 Q304 R305 | A297-L301 WeakPolarHBondContact O-CG 3.36Å; A297-L301 PolarHBondContact O-N 2.84Å; K298-L301 PolarHBondContact O-N 3.5Å; K298-L301 VanDerWaalsContact O-N 3.15Å; L301-Q304 PolarHBondContact O-N 2.82Å; L301-R305 WeakPolarHBondContact O-CB 3.24Å; L301-R305 PolarHBondContact O-N 3.5Å |
| 302 | E | 82.4 | Confident | 85.9 | Confident | 79 Ų | 79 | 96.5 Ų | 96.5 | 37% | 0.369 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65 | -42.3 | 174.4 | -73.1 | 176.2 | 137.8 | 0 | 0 | 111.7 | K298 R305 M306 | K298-E302 WeakPolarHBondContact CE-OE1 3.45Å; K298-E302 HydrophobicContact CG-CG 4.45Å; K298-E302 IonicContact NZ-OE1 3.63Å; K298-E302 PolarHBondContact NZ-OE1 3.28Å; K298-E302 IonicContact NZ-OE2 3.44Å; K298-E302 PolarHBondContact NZ-OE2 3.36Å; K298-E302 WeakPolarHBondContact O-CG 3.32Å; K298-E302 PolarHBondContact O-N 2.87Å; E302-R305 PolarHBondContact O-N 2.95Å; E302-M306 WeakPolarHBondContact O-CG 3.39Å; E302-M306 PolarHBondContact O-N 3.14Å |
| 303 | R | 90.1 | Very high | 85.9 | Confident | 152 Ų | 152 | 96.2 Ų | 96.2 | 57% | 0.574 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -62 | -43.3 | 171.4 | -72.5 | 175.9 | -167.3 | 103.1 | 5 | 112.1 | E299 R305 M306 E307 | E299-R303 WeakPolarHBondContact O-CB 3.37Å; E299-R303 VanDerWaalsContact O-CG 3.28Å; E299-R303 WeakPolarHBondContact O-CG 3.24Å; E299-R303 PolarHBondContact O-N 3.08Å; E299-R303 PolarHBondContact O-NH1 2.77Å; E299-R303 IonicContact OE2-CZ 2.81Å; E299-R303 IonicContact OE2-NH1 2.71Å; E299-R303 PolarHBondContact OE2-NH1 3.31Å; E299-R303 VanDerWaalsContact OE2-NH1 3.14Å; E299-R303 IonicContact OE2-NH2 3.91Å; E299-R303 PolarHBondContact OE2-NH2 3Å; R303-R305 VanDerWaalsContact C-N 3.31Å; R303-R305 PolarHBondContact O-N 3.38Å; R303-M306 PolarHBondContact O-N 2.91Å; R303-E307 WeakPolarHBondContact O-CB 3.28Å; R303-E307 PolarHBondContact O-N 2.96Å |
| 304 | Q | 89.9 | Confident | 86.1 | Confident | 117 Ų | 117 | 97.2 Ų | 97.2 | 55% | 0.547 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.6 | -36.2 | 176.9 | -173.4 | -179.8 | 6.9 | 0 | 0 | 112.2 | S300 L301 S308 | S300-Q304 WeakPolarHBondContact O-CB 3.38Å; S300-Q304 PolarHBondContact O-N 3.43Å; L301-Q304 PolarHBondContact O-N 2.82Å; Q304-S308 PolarHBondContact O-N 3.04Å; Q304-S308 PolarHBondContact O-OG 3.35Å |
| 305 | R | 77.7 | Confident | 86.8 | Confident | 132 Ų | 132 | 96.1 Ų | 96.1 | 50% | 0.498 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.6 | -51.3 | 176.4 | -156 | -157.4 | 81.4 | -151.9 | -2 | 110.7 | L301 E302 R303 E307 S308 E309 | L301-R305 WeakPolarHBondContact O-CB 3.24Å; L301-R305 PolarHBondContact O-N 3.5Å; E302-R305 PolarHBondContact O-N 2.95Å; R303-R305 VanDerWaalsContact C-N 3.31Å; R303-R305 PolarHBondContact O-N 3.38Å; R305-E307 VanDerWaalsContact C-N 3.34Å; R305-E307 PolarHBondContact O-N 2.88Å; R305-S308 PolarHBondContact O-N 3.49Å; R305-S308 PolarHBondContact O-OG 2.76Å; R305-E309 IonicContact CZ-OE1 2.73Å; R305-E309 IonicContact CZ-OE2 3.53Å; R305-E309 VanDerWaalsContact CZ-OE2 3.29Å; R305-E309 IonicContact NE-OE1 2.91Å; R305-E309 PolarHBondContact NE-OE1 2.82Å; R305-E309 IonicContact NE-OE2 2.92Å; R305-E309 PolarHBondContact NE-OE2 2.77Å; R305-E309 IonicContact NH2-OE1 3.21Å; R305-E309 PolarHBondContact NH2-OE1 3.47Å; R305-E309 IonicContact NH2-OE2 2.58Å; R305-E309 PolarHBondContact NH2-OE2 3.34Å; R305-E309 WeakPolarHBondContact O-CG 3.42Å; R305-E309 PolarHBondContact O-N 3.28Å |
| 306 | M | 88.7 | Confident | 87.2 | Confident | 86 Ų | 86 | 92.8 Ų | 92.8 | 42% | 0.424 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -54.8 | -49.2 | 174.2 | -69.1 | -58.9 | -46.4 | 0 | 0 | 111.1 | E302 R303 S308 E309 D310 | E302-M306 WeakPolarHBondContact O-CG 3.39Å; E302-M306 PolarHBondContact O-N 3.14Å; R303-M306 PolarHBondContact O-N 2.91Å; M306-S308 PolarHBondContact O-N 2.85Å; M306-E309 CarbonylContact O-C 3.59Å; M306-E309 PolarHBondContact O-N 2.84Å; M306-D310 WeakPolarHBondContact O-CB 3.3Å; M306-D310 PolarHBondContact O-N 2.82Å |
| 307 | E | 92.8 | Very high | 87.6 | Confident | 107 Ų | 107 | 93.5 Ų | 93.5 | 50% | 0.5 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.9 | -27.5 | 179.1 | -161.1 | -148.1 | 124.7 | 0 | 0 | 113.1 | R303 R305 R311 | R303-E307 WeakPolarHBondContact O-CB 3.28Å; R303-E307 PolarHBondContact O-N 2.96Å; R305-E307 VanDerWaalsContact C-N 3.34Å; R305-E307 PolarHBondContact O-N 2.88Å; E307-R311 WeakPolarHBondContact O-CB 3.26Å; E307-R311 VanDerWaalsContact O-CG 3.32Å; E307-R311 WeakPolarHBondContact O-CG 3.39Å; E307-R311 PolarHBondContact O-N 3.31Å; E307-R311 PolarHBondContact O-NE 2.87Å; E307-R311 VanDerWaalsContact O-NE 3.16Å; E307-R311 PolarHBondContact O-NH2 2.92Å; E307-R311 IonicContact OE1-CZ 2.78Å; E307-R311 IonicContact OE1-NE 3.57Å; E307-R311 PolarHBondContact OE1-NE 3.46Å; E307-R311 VanDerWaalsContact OE1-NE 3.08Å; E307-R311 IonicContact OE1-NH2 3.89Å; E307-R311 PolarHBondContact OE1-NH2 3.1Å |
| 308 | S | 77.3 | Confident | 88.4 | Confident | 35 Ų | 35 | 94.2 Ų | 94.2 | 25% | 0.245 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -79.1 | -35.6 | 170.3 | 58 | 0 | 0 | 0 | 0 | 113.7 | Q304 R305 M306 H312 | Q304-S308 PolarHBondContact O-N 3.04Å; Q304-S308 PolarHBondContact O-OG 3.35Å; R305-S308 PolarHBondContact O-N 3.49Å; R305-S308 PolarHBondContact O-OG 2.76Å; M306-S308 PolarHBondContact O-N 2.85Å; S308-H312 WeakPolarHBondContact O-CB 3.28Å; S308-H312 PolarHBondContact O-CD2 3.09Å; S308-H312 VanDerWaalsContact O-CG 3.28Å; S308-H312 PolarHBondContact O-N 2.84Å |
| 309 | E | 86.8 | Confident | 88.9 | Confident | 81 Ų | 81 | 93.8 Ų | 93.8 | 38% | 0.379 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.8 | -45.9 | 176.7 | -72 | 165.3 | 163.4 | 0 | 0 | 110.5 | R305 M306 H312 Q313 | R305-E309 IonicContact CZ-OE1 2.73Å; R305-E309 IonicContact CZ-OE2 3.53Å; R305-E309 VanDerWaalsContact CZ-OE2 3.29Å; R305-E309 IonicContact NE-OE1 2.91Å; R305-E309 PolarHBondContact NE-OE1 2.82Å; R305-E309 IonicContact NE-OE2 2.92Å; R305-E309 PolarHBondContact NE-OE2 2.77Å; R305-E309 IonicContact NH2-OE1 3.21Å; R305-E309 PolarHBondContact NH2-OE1 3.47Å; R305-E309 IonicContact NH2-OE2 2.58Å; R305-E309 PolarHBondContact NH2-OE2 3.34Å; R305-E309 WeakPolarHBondContact O-CG 3.42Å; R305-E309 PolarHBondContact O-N 3.28Å; M306-E309 CarbonylContact O-C 3.59Å; M306-E309 PolarHBondContact O-N 2.84Å; E309-H312 PolarHBondContact O-N 3.35Å; E309-Q313 WeakPolarHBondContact O-CB 3.27Å; E309-Q313 PolarHBondContact O-N 2.73Å |
| 310 | D | 90.7 | Very high | 89.2 | Confident | 88 Ų | 88 | 94.6 Ų | 94.6 | 47% | 0.471 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -57.8 | -49.6 | 174 | -63.2 | -26.2 | 0 | 0 | 0 | 111 | M306 H312 Q313 D314 | M306-D310 WeakPolarHBondContact O-CB 3.3Å; M306-D310 PolarHBondContact O-N 2.82Å; D310-H312 VanDerWaalsContact C-N 3.33Å; D310-H312 PolarHBondContact O-N 3.2Å; D310-Q313 WeakPolarHBondContact O-CB 3.44Å; D310-Q313 PolarHBondContact O-N 2.76Å; D310-Q313 VanDerWaalsContact O-N 3.11Å; D310-D314 PolarHBondContact O-N 2.81Å |
| 311 | R | 92.1 | Very high | 89.8 | Confident | 105 Ų | 105 | 96.4 Ų | 96.4 | 40% | 0.396 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.2 | -37.1 | 177.5 | -80.6 | -172.7 | -84.8 | 88 | 1.6 | 113.1 | E307 D314 D315 | E307-R311 WeakPolarHBondContact O-CB 3.26Å; E307-R311 VanDerWaalsContact O-CG 3.32Å; E307-R311 WeakPolarHBondContact O-CG 3.39Å; E307-R311 PolarHBondContact O-N 3.31Å; E307-R311 PolarHBondContact O-NE 2.87Å; E307-R311 VanDerWaalsContact O-NE 3.16Å; E307-R311 PolarHBondContact O-NH2 2.92Å; E307-R311 IonicContact OE1-CZ 2.78Å; E307-R311 IonicContact OE1-NE 3.57Å; E307-R311 PolarHBondContact OE1-NE 3.46Å; E307-R311 VanDerWaalsContact OE1-NE 3.08Å; E307-R311 IonicContact OE1-NH2 3.89Å; E307-R311 PolarHBondContact OE1-NH2 3.1Å; R311-D314 PolarHBondContact O-N 3.41Å; R311-D315 PolarHBondContact O-N 3.48Å |
| 312 | H | 85.9 | Confident | 90.6 | Very high | 107 Ų | 107 | 93.9 Ų | 93.9 | 50% | 0.495 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -72.9 | -30.6 | 174.8 | -70.6 | -38.7 | 0 | 0 | 0 | 112.4 | S308 E309 D310 D315 I316 | S308-H312 WeakPolarHBondContact O-CB 3.28Å; S308-H312 PolarHBondContact O-CD2 3.09Å; S308-H312 VanDerWaalsContact O-CG 3.28Å; S308-H312 PolarHBondContact O-N 2.84Å; E309-H312 PolarHBondContact O-N 3.35Å; D310-H312 VanDerWaalsContact C-N 3.33Å; D310-H312 PolarHBondContact O-N 3.2Å; H312-D315 IonicContact ND1-OD2 2.87Å; H312-D315 PolarHBondContact O-N 2.78Å; H312-I316 WeakPolarHBondContact O-CB 3.44Å; H312-I316 WeakPolarHBondContact O-CD1 3.33Å; H312-I316 WeakPolarHBondContact O-CG1 3.49Å; H312-I316 PolarHBondContact O-N 3.33Å |
| 313 | Q | 92.1 | Very high | 91.3 | Very high | 105 Ų | 105 | 94.6 Ų | 94.6 | 49% | 0.491 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68.4 | -39 | 171.9 | -173.4 | 58.1 | 48.9 | 0 | 0 | 111.6 | E309 D310 I316 T317 | E309-Q313 WeakPolarHBondContact O-CB 3.27Å; E309-Q313 PolarHBondContact O-N 2.73Å; D310-Q313 WeakPolarHBondContact O-CB 3.44Å; D310-Q313 PolarHBondContact O-N 2.76Å; D310-Q313 VanDerWaalsContact O-N 3.11Å; Q313-I316 PolarHBondContact O-N 2.97Å; Q313-T317 PolarHBondContact NE2-OG1 2.82Å; Q313-T317 WeakPolarHBondContact O-CB 3.38Å; Q313-T317 PolarHBondContact O-N 3.34Å; Q313-T317 PolarHBondContact O-OG1 3.12Å |
| 314 | D | 93.7 | Very high | 91.6 | Very high | 110 Ų | 110 | 91.8 Ų | 91.8 | 59% | 0.588 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62.2 | -47.7 | 171.3 | -74.4 | -21.6 | 0 | 0 | 0 | 111.3 | D310 R311 I316 T317 S318 | D310-D314 PolarHBondContact O-N 2.81Å; R311-D314 PolarHBondContact O-N 3.41Å; D314-I316 PolarHBondContact O-N 3.48Å; D314-T317 PolarHBondContact O-N 3.24Å; D314-S318 WeakPolarHBondContact O-CB 3.43Å; D314-S318 PolarHBondContact O-N 3.47Å |
| 315 | D | 92.6 | Very high | 92 | Very high | 95 Ų | 95 | 91.4 Ų | 91.4 | 51% | 0.508 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -57.2 | -46.6 | 175.5 | -75.9 | -31.3 | 0 | 0 | 0 | 111.4 | R311 H312 S318 L319 | R311-D315 PolarHBondContact O-N 3.48Å; H312-D315 IonicContact ND1-OD2 2.87Å; H312-D315 PolarHBondContact O-N 2.78Å; D315-S318 PolarHBondContact O-N 2.95Å; D315-L319 WeakPolarHBondContact O-CB 3.49Å; D315-L319 WeakPolarHBondContact O-CG 3.47Å; D315-L319 PolarHBondContact O-N 3.13Å |
| 316 | I | 92.6 | Very high | 93 | Very high | 80 Ų | 80 | 90.3 Ų | 90.3 | 41% | 0.41 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 177.8 | -73.1 | 164.6 | 0 | 0 | 0 | 110.9 | H312 Q313 D314 L319 Q320 | H312-I316 WeakPolarHBondContact O-CB 3.44Å; H312-I316 WeakPolarHBondContact O-CD1 3.33Å; H312-I316 WeakPolarHBondContact O-CG1 3.49Å; H312-I316 PolarHBondContact O-N 3.33Å; Q313-I316 PolarHBondContact O-N 2.97Å; D314-I316 PolarHBondContact O-N 3.48Å; I316-L319 PolarHBondContact O-N 3.11Å; I316-Q320 HydrophobicContact CG2-CG 4.48Å; I316-Q320 VanDerWaalsContact O-CG 3.32Å; I316-Q320 WeakPolarHBondContact O-CG 3.41Å; I316-Q320 PolarHBondContact O-N 2.82Å |
| 317 | T | 94.6 | Very high | 93.4 | Very high | 51 Ų | 51 | 89.8 Ų | 89.8 | 31% | 0.313 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 179.6 | -54 | 0 | 0 | 0 | 0 | 110.6 | Q313 D314 L319 Q320 E321 | Q313-T317 PolarHBondContact NE2-OG1 2.82Å; Q313-T317 WeakPolarHBondContact O-CB 3.38Å; Q313-T317 PolarHBondContact O-N 3.34Å; Q313-T317 PolarHBondContact O-OG1 3.12Å; D314-T317 PolarHBondContact O-N 3.24Å; T317-L319 PolarHBondContact O-N 2.78Å; T317-Q320 PolarHBondContact O-N 3.01Å; T317-E321 WeakPolarHBondContact O-CG 3.49Å; T317-E321 PolarHBondContact O-N 3.32Å |
| 318 | S | 97.4 | Very high | 93.7 | Very high | 65 Ų | 65 | 89.4 Ų | 89.4 | 46% | 0.455 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.9 | -41 | 175.1 | -171.3 | 0 | 0 | 0 | 0 | 112.3 | D314 D315 E321 T322 | D314-S318 WeakPolarHBondContact O-CB 3.43Å; D314-S318 PolarHBondContact O-N 3.47Å; D315-S318 PolarHBondContact O-N 2.95Å; S318-E321 PolarHBondContact O-N 2.96Å; S318-T322 WeakPolarHBondContact O-CG2 3.28Å; S318-T322 PolarHBondContact O-N 2.82Å |
| 319 | L | 94.7 | Very high | 94.7 | Very high | 108 Ų | 108 | 93.6 Ų | 93.6 | 57% | 0.565 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.6 | -43.5 | 174.2 | -73.2 | 170.6 | 0 | 0 | 0 | 111.7 | D315 I316 T317 E321 T322 I323 | D315-L319 WeakPolarHBondContact O-CB 3.49Å; D315-L319 WeakPolarHBondContact O-CG 3.47Å; D315-L319 PolarHBondContact O-N 3.13Å; I316-L319 PolarHBondContact O-N 3.11Å; T317-L319 PolarHBondContact O-N 2.78Å; L319-E321 VanDerWaalsContact C-N 3.34Å; L319-E321 PolarHBondContact O-N 3.28Å; L319-T322 PolarHBondContact O-N 2.98Å; L319-T322 PolarHBondContact O-OG1 2.58Å; L319-I323 WeakPolarHBondContact O-CG1 3.42Å; L319-I323 PolarHBondContact O-N 3.38Å |
| 320 | Q | 96.2 | Very high | 95.2 | Very high | 104 Ų | 104 | 93.4 Ų | 93.4 | 49% | 0.486 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 173.9 | -72.9 | 173.4 | -0.7 | 0 | 0 | 111.9 | I316 T317 T322 I323 N324 | I316-Q320 HydrophobicContact CG2-CG 4.48Å; I316-Q320 VanDerWaalsContact O-CG 3.32Å; I316-Q320 WeakPolarHBondContact O-CG 3.41Å; I316-Q320 PolarHBondContact O-N 2.82Å; T317-Q320 PolarHBondContact O-N 3.01Å; Q320-T322 PolarHBondContact O-N 2.88Å; Q320-I323 PolarHBondContact O-N 3.14Å; Q320-N324 WeakPolarHBondContact O-CB 3.18Å; Q320-N324 VanDerWaalsContact O-CG 3.24Å; Q320-N324 PolarHBondContact O-N 3.24Å; Q320-N324 PolarHBondContact O-ND2 3.33Å; Q320-N324 VanDerWaalsContact O-ND2 3.08Å |
| 321 | E | 97.7 | Very high | 95.5 | Very high | 107 Ų | 107 | 94.4 Ų | 94.4 | 50% | 0.5 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60 | -43.4 | 172.6 | -74.6 | -177.6 | 177.2 | 0 | 0 | 112.2 | T317 S318 L319 N324 Q325 | T317-E321 WeakPolarHBondContact O-CG 3.49Å; T317-E321 PolarHBondContact O-N 3.32Å; S318-E321 PolarHBondContact O-N 2.96Å; L319-E321 VanDerWaalsContact C-N 3.34Å; L319-E321 PolarHBondContact O-N 3.28Å; E321-N324 PolarHBondContact O-N 2.79Å; E321-Q325 WeakPolarHBondContact O-CB 3.28Å; E321-Q325 WeakPolarHBondContact O-CG 3.42Å; E321-Q325 PolarHBondContact O-N 2.99Å; E321-Q325 PolarHBondContact O-NE2 2.97Å |
| 322 | T | 97.6 | Very high | 95.8 | Very high | 57 Ų | 57 | 93 Ų | 93 | 35% | 0.35 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.7 | -35.1 | 177.1 | 61.6 | 0 | 0 | 0 | 0 | 113.2 | S318 L319 Q320 Q325 L326 | S318-T322 WeakPolarHBondContact O-CG2 3.28Å; S318-T322 PolarHBondContact O-N 2.82Å; L319-T322 PolarHBondContact O-N 2.98Å; L319-T322 PolarHBondContact O-OG1 2.58Å; Q320-T322 PolarHBondContact O-N 2.88Å; T322-Q325 PolarHBondContact O-N 3.35Å; T322-L326 WeakPolarHBondContact O-CG 3.46Å; T322-L326 PolarHBondContact O-N 2.87Å |
| 323 | I | 96 | Very high | 96.4 | Very high | 94 Ų | 94 | 91 Ų | 91 | 48% | 0.482 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.6 | -50.2 | 172.9 | -68.5 | 163.9 | 0 | 0 | 0 | 109.5 | L319 Q320 Q325 L326 D327 | L319-I323 WeakPolarHBondContact O-CG1 3.42Å; L319-I323 PolarHBondContact O-N 3.38Å; Q320-I323 PolarHBondContact O-N 3.14Å; I323-Q325 VanDerWaalsContact C-N 3.27Å; I323-Q325 PolarHBondContact O-N 2.95Å; I323-L326 PolarHBondContact O-N 3.36Å; I323-L326 VanDerWaalsContact O-N 3.14Å; I323-D327 PolarHBondContact O-N 2.87Å |
| 324 | N | 97.4 | Very high | 96.7 | Very high | 93 Ų | 93 | 92.1 Ų | 92.1 | 50% | 0.497 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.3 | -35.7 | 176.9 | -71.9 | -35.5 | 0 | 0 | 0 | 112.5 | Q320 E321 N328 | Q320-N324 WeakPolarHBondContact O-CB 3.18Å; Q320-N324 VanDerWaalsContact O-CG 3.24Å; Q320-N324 PolarHBondContact O-N 3.24Å; Q320-N324 PolarHBondContact O-ND2 3.33Å; Q320-N324 VanDerWaalsContact O-ND2 3.08Å; E321-N324 PolarHBondContact O-N 2.79Å; N324-N328 WeakPolarHBondContact O-CB 3.21Å; N324-N328 VanDerWaalsContact O-CG 3.3Å; N324-N328 PolarHBondContact O-N 3.14Å; N324-N328 VanDerWaalsContact O-N 3.09Å; N324-N328 PolarHBondContact O-ND2 3.48Å |
| 325 | Q | 98.4 | Very high | 96.9 | Very high | 110 Ų | 110 | 95.1 Ų | 95.1 | 51% | 0.514 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.2 | -49.4 | 174 | -73.4 | 163.3 | 33.7 | 0 | 0 | 111.3 | E321 T322 I323 D327 N328 E329 | E321-Q325 WeakPolarHBondContact O-CB 3.28Å; E321-Q325 WeakPolarHBondContact O-CG 3.42Å; E321-Q325 PolarHBondContact O-N 2.99Å; E321-Q325 PolarHBondContact O-NE2 2.97Å; T322-Q325 PolarHBondContact O-N 3.35Å; I323-Q325 VanDerWaalsContact C-N 3.27Å; I323-Q325 PolarHBondContact O-N 2.95Å; Q325-D327 PolarHBondContact O-N 3.01Å; Q325-N328 PolarHBondContact O-N 3.06Å; Q325-E329 PolarHBondContact O-N 3.41Å |
| 326 | L | 97.9 | Very high | 97.2 | Very high | 109 Ų | 109 | 95.1 Ų | 95.1 | 57% | 0.571 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.7 | -39 | 179.2 | -69.8 | 169.5 | 0 | 0 | 0 | 112.7 | T322 I323 N328 E329 L330 | T322-L326 WeakPolarHBondContact O-CG 3.46Å; T322-L326 PolarHBondContact O-N 2.87Å; I323-L326 PolarHBondContact O-N 3.36Å; I323-L326 VanDerWaalsContact O-N 3.14Å; L326-N328 VanDerWaalsContact C-N 3.32Å; L326-N328 PolarHBondContact O-N 3.42Å; L326-E329 PolarHBondContact O-N 3.43Å; L326-L330 WeakPolarHBondContact O-CB 3.47Å; L326-L330 PolarHBondContact O-N 3Å |
| 327 | D | 97.4 | Very high | 97.4 | Very high | 75 Ų | 75 | 96.4 Ų | 96.4 | 40% | 0.401 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.6 | -33.6 | 174.5 | -85.4 | -38.7 | 0 | 0 | 0 | 112.1 | I323 Q325 L330 K331 | I323-D327 PolarHBondContact O-N 2.87Å; Q325-D327 PolarHBondContact O-N 3.01Å; D327-L330 PolarHBondContact O-N 3.28Å; D327-K331 VanDerWaalsContact O-CB 3.3Å; D327-K331 WeakPolarHBondContact O-CB 3.43Å; D327-K331 VanDerWaalsContact O-CG 3.27Å; D327-K331 WeakPolarHBondContact O-CG 3.21Å; D327-K331 PolarHBondContact O-N 3.03Å |
| 328 | N | 97.9 | Very high | 97.5 | Very high | 98 Ų | 98 | 96.1 Ų | 96.1 | 52% | 0.524 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70 | -42.6 | 172.3 | -78.5 | -51.5 | 0 | 0 | 0 | 112.1 | N324 Q325 L326 L330 K331 T332 | N324-N328 WeakPolarHBondContact O-CB 3.21Å; N324-N328 VanDerWaalsContact O-CG 3.3Å; N324-N328 PolarHBondContact O-N 3.14Å; N324-N328 VanDerWaalsContact O-N 3.09Å; N324-N328 PolarHBondContact O-ND2 3.48Å; Q325-N328 PolarHBondContact O-N 3.06Å; L326-N328 VanDerWaalsContact C-N 3.32Å; L326-N328 PolarHBondContact O-N 3.42Å; N328-L330 VanDerWaalsContact C-N 3.28Å; N328-L330 PolarHBondContact O-N 2.78Å; N328-K331 PolarHBondContact O-N 3.33Å; N328-T332 WeakPolarHBondContact O-CB 3.48Å; N328-T332 PolarHBondContact O-N 3.42Å; N328-T332 PolarHBondContact O-OG1 3.41Å; N328-T332 VanDerWaalsContact O-OG1 3.1Å |
| 329 | E | 98.2 | Very high | 97.6 | Very high | 124 Ų | 124 | 94 Ų | 94 | 58% | 0.579 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60 | -38.8 | 171.7 | -71.2 | -177.7 | 177.3 | 0 | 0 | 111.8 | Q325 L326 T332 T333 | Q325-E329 PolarHBondContact O-N 3.41Å; L326-E329 PolarHBondContact O-N 3.43Å; E329-T332 PolarHBondContact O-N 3.46Å; E329-T333 WeakPolarHBondContact O-CB 3.49Å; E329-T333 WeakPolarHBondContact O-CG2 3.28Å; E329-T333 PolarHBondContact O-N 2.88Å; E329-T333 PolarHBondContact O-OG1 2.75Å |
| 330 | L | 98 | Very high | 97.7 | Very high | 77 Ų | 77 | 93.7 Ų | 93.7 | 40% | 0.403 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -70.9 | -40.9 | 177.6 | -170.6 | 155.4 | 0 | 0 | 0 | 112 | L326 D327 N328 T333 K334 | L326-L330 WeakPolarHBondContact O-CB 3.47Å; L326-L330 PolarHBondContact O-N 3Å; D327-L330 PolarHBondContact O-N 3.28Å; N328-L330 VanDerWaalsContact C-N 3.28Å; N328-L330 PolarHBondContact O-N 2.78Å; L330-T333 PolarHBondContact O-OG1 3.01Å; L330-K334 HydrophobicContact CD2-CD 3.88Å; L330-K334 VanDerWaalsContact CD2-CE 3.42Å; L330-K334 WeakPolarHBondContact O-CB 3.39Å; L330-K334 VanDerWaalsContact O-CG 3.28Å; L330-K334 WeakPolarHBondContact O-CG 3.46Å; L330-K334 PolarHBondContact O-N 2.85Å; L330-K334 VanDerWaalsContact O-N 3.12Å |
| 331 | K | 97.8 | Very high | 97.8 | Very high | 109 Ų | 109 | 94.7 Ų | 94.7 | 47% | 0.474 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 171.5 | -77.5 | 175.7 | 173.9 | -175.1 | 0 | 110.6 | D327 N328 W335 E409 | D327-K331 VanDerWaalsContact O-CB 3.3Å; D327-K331 WeakPolarHBondContact O-CB 3.43Å; D327-K331 VanDerWaalsContact O-CG 3.27Å; D327-K331 WeakPolarHBondContact O-CG 3.21Å; D327-K331 PolarHBondContact O-N 3.03Å; N328-K331 PolarHBondContact O-N 3.33Å; K331-W335 PolarHBondContact O-N 3.48Å; K331-W335 VanDerWaalsContact O-N 3.14Å; K331-E409 IonicContact NZ-OE1 2.76Å; K331-E409 PolarHBondContact NZ-OE1 3.2Å |
| 332 | T | 98.4 | Very high | 97.8 | Very high | 74 Ų | 74 | 95 Ų | 95 | 45% | 0.454 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67 | -50.6 | 177.8 | -67.3 | 0 | 0 | 0 | 0 | 112.6 | N328 E329 K334 W335 E336 | N328-T332 WeakPolarHBondContact O-CB 3.48Å; N328-T332 PolarHBondContact O-N 3.42Å; N328-T332 PolarHBondContact O-OG1 3.41Å; N328-T332 VanDerWaalsContact O-OG1 3.1Å; E329-T332 PolarHBondContact O-N 3.46Å; T332-K334 VanDerWaalsContact C-N 3.3Å; T332-K334 PolarHBondContact O-N 2.88Å; T332-W335 WeakPolarHBondContact O-CA 3Å; T332-W335 WeakPolarHBondContact O-CB 3.46Å; T332-W335 PolarHBondContact O-N 3.28Å; T332-E336 HydrophobicContact CG2-CG 4.39Å; T332-E336 WeakPolarHBondContact O-CG 3.42Å; T332-E336 PolarHBondContact O-N 3.21Å |
| 333 | T | 97.3 | Very high | 97.8 | Very high | 66 Ų | 66 | 96.3 Ų | 96.3 | 41% | 0.405 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.5 | -32.5 | 179.6 | 49.4 | 0 | 0 | 0 | 0 | 112.7 | E329 L330 M337 | E329-T333 WeakPolarHBondContact O-CB 3.49Å; E329-T333 WeakPolarHBondContact O-CG2 3.28Å; E329-T333 PolarHBondContact O-N 2.88Å; E329-T333 PolarHBondContact O-OG1 2.75Å; L330-T333 PolarHBondContact O-OG1 3.01Å; T333-M337 WeakPolarHBondContact O-CB 3.47Å; T333-M337 WeakPolarHBondContact O-CE 3.24Å; T333-M337 WeakPolarHBondContact O-CG 3.46Å; T333-M337 PolarHBondContact O-N 3.24Å |
| 334 | K | 98.3 | Very high | 97.9 | Very high | 129 Ų | 129 | 99.3 Ų | 99.3 | 56% | 0.561 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.8 | -46.7 | 167.4 | -80.6 | 175.8 | 176.6 | 173.1 | 0 | 112.1 | L330 T332 M337 A338 | L330-K334 HydrophobicContact CD2-CD 3.88Å; L330-K334 VanDerWaalsContact CD2-CE 3.42Å; L330-K334 WeakPolarHBondContact O-CB 3.39Å; L330-K334 VanDerWaalsContact O-CG 3.28Å; L330-K334 WeakPolarHBondContact O-CG 3.46Å; L330-K334 PolarHBondContact O-N 2.85Å; L330-K334 VanDerWaalsContact O-N 3.12Å; T332-K334 VanDerWaalsContact C-N 3.3Å; T332-K334 PolarHBondContact O-N 2.88Å; K334-M337 PolarHBondContact O-N 2.92Å; K334-A338 WeakPolarHBondContact O-CB 3.41Å; K334-A338 PolarHBondContact O-N 3.31Å |
| 335 | W | 98.4 | Very high | 98 | Very high | 173 Ų | 173 | 99.5 Ų | 99.5 | 66% | 0.655 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.1 | -40.5 | 178.8 | -177 | 91.3 | 0 | 0 | 0 | 112.3 | K331 T332 A338 S339 | K331-W335 PolarHBondContact O-N 3.48Å; K331-W335 VanDerWaalsContact O-N 3.14Å; T332-W335 WeakPolarHBondContact O-CA 3Å; T332-W335 WeakPolarHBondContact O-CB 3.46Å; T332-W335 PolarHBondContact O-N 3.28Å; W335-A338 PolarHBondContact O-N 2.87Å; W335-S339 PolarHBondContact O-N 2.88Å |
| 336 | E | 98.2 | Very high | 97.9 | Very high | 94 Ų | 94 | 99.9 Ų | 99.9 | 44% | 0.439 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.7 | -46.5 | 174.4 | -70.7 | 178.3 | 164.8 | 0 | 0 | 112 | T332 A338 S339 Q340 | T332-E336 HydrophobicContact CG2-CG 4.39Å; T332-E336 WeakPolarHBondContact O-CG 3.42Å; T332-E336 PolarHBondContact O-N 3.21Å; E336-A338 VanDerWaalsContact C-N 3.35Å; E336-A338 PolarHBondContact O-N 2.9Å; E336-S339 PolarHBondContact O-N 2.98Å; E336-S339 VanDerWaalsContact O-N 3.16Å; E336-Q340 WeakPolarHBondContact O-CG 3.31Å; E336-Q340 PolarHBondContact O-N 3.29Å |
| 337 | M | 97.9 | Very high | 97.9 | Very high | 107 Ų | 107 | 100 Ų | 100 | 53% | 0.527 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.5 | -42 | 174.9 | -75.2 | -173.6 | -71.9 | 0 | 0 | 112 | T333 K334 S339 Q340 L341 | T333-M337 WeakPolarHBondContact O-CB 3.47Å; T333-M337 WeakPolarHBondContact O-CE 3.24Å; T333-M337 WeakPolarHBondContact O-CG 3.46Å; T333-M337 PolarHBondContact O-N 3.24Å; K334-M337 PolarHBondContact O-N 2.92Å; M337-S339 VanDerWaalsContact C-N 3.28Å; M337-S339 PolarHBondContact O-N 2.96Å; M337-Q340 PolarHBondContact O-N 3.08Å; M337-L341 WeakPolarHBondContact O-CB 3.35Å; M337-L341 WeakPolarHBondContact O-CG 3.33Å; M337-L341 PolarHBondContact O-N 3.21Å |
| 338 | A | 97.6 | Very high | 97.9 | Very high | 46 Ų | 46 | 100.4 Ų | 100.4 | 38% | 0.38 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.3 | -31.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K334 W335 E336 R342 | K334-A338 WeakPolarHBondContact O-CB 3.41Å; K334-A338 PolarHBondContact O-N 3.31Å; W335-A338 PolarHBondContact O-N 2.87Å; E336-A338 VanDerWaalsContact C-N 3.35Å; E336-A338 PolarHBondContact O-N 2.9Å; A338-R342 PolarHBondContact O-N 3.41Å |
| 339 | S | 98.1 | Very high | 97.9 | Very high | 21 Ų | 21 | 99.8 Ų | 99.8 | 15% | 0.147 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -72 | -47.9 | 172.3 | -153.5 | 0 | 0 | 0 | 0 | 112.3 | W335 E336 M337 L341 R342 D343 | W335-S339 PolarHBondContact O-N 2.88Å; E336-S339 PolarHBondContact O-N 2.98Å; E336-S339 VanDerWaalsContact O-N 3.16Å; M337-S339 VanDerWaalsContact C-N 3.28Å; M337-S339 PolarHBondContact O-N 2.96Å; S339-L341 PolarHBondContact O-N 2.83Å; S339-R342 VanDerWaalsContact CA-NH2 3.29Å; S339-R342 VanDerWaalsContact CB-NH2 3.34Å; S339-R342 WeakPolarHBondContact O-CA 3.34Å; S339-R342 WeakPolarHBondContact O-CB 3.23Å; S339-R342 PolarHBondContact O-N 3.16Å; S339-R342 PolarHBondContact OG-NH1 2.96Å; S339-R342 PolarHBondContact OG-NH2 3.13Å; S339-R342 VanDerWaalsContact OG-NH2 3.16Å; S339-D343 PolarHBondContact O-N 2.88Å; S339-D343 VanDerWaalsContact O-OD1 3.12Å |
| 340 | Q | 97.8 | Very high | 97.9 | Very high | 101 Ų | 101 | 97.8 Ų | 97.8 | 47% | 0.472 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -55.9 | -39.2 | 175.9 | -68.8 | 173.9 | 28.3 | 0 | 0 | 111.7 | E336 M337 D343 Y344 | E336-Q340 WeakPolarHBondContact O-CG 3.31Å; E336-Q340 PolarHBondContact O-N 3.29Å; M337-Q340 PolarHBondContact O-N 3.08Å; Q340-D343 PolarHBondContact O-N 2.81Å; Q340-Y344 HydrophobicContact CB-CD2 4.47Å; Q340-Y344 HydrophobicContact CB-CE2 4.3Å; Q340-Y344 WeakPolarHBondContact O-CB 3.38Å; Q340-Y344 WeakPolarHBondContact O-CD2 3.39Å; Q340-Y344 PolarHBondContact O-N 3.48Å |
| 341 | L | 98 | Very high | 97.9 | Very high | 124 Ų | 124 | 99.2 Ų | 99.2 | 65% | 0.649 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61 | -41.7 | 174.3 | -81.3 | 161.6 | 0 | 0 | 0 | 113.2 | M337 S339 Q345 | M337-L341 WeakPolarHBondContact O-CB 3.35Å; M337-L341 WeakPolarHBondContact O-CG 3.33Å; M337-L341 PolarHBondContact O-N 3.21Å; S339-L341 PolarHBondContact O-N 2.83Å; L341-Q345 PolarHBondContact O-N 3.15Å; L341-Q345 VanDerWaalsContact O-N 3.13Å |
| 342 | R | 97.8 | Very high | 97.9 | Very high | 113 Ų | 113 | 98.8 Ų | 98.8 | 43% | 0.426 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.8 | -48.6 | 171.6 | -76.9 | -174.5 | -83.3 | 89.4 | -1.2 | 111.3 | A338 S339 Y344 Q345 E346 | A338-R342 PolarHBondContact O-N 3.41Å; S339-R342 VanDerWaalsContact CA-NH2 3.29Å; S339-R342 VanDerWaalsContact CB-NH2 3.34Å; S339-R342 WeakPolarHBondContact O-CA 3.34Å; S339-R342 WeakPolarHBondContact O-CB 3.23Å; S339-R342 PolarHBondContact O-N 3.16Å; S339-R342 PolarHBondContact OG-NH1 2.96Å; S339-R342 PolarHBondContact OG-NH2 3.13Å; S339-R342 VanDerWaalsContact OG-NH2 3.16Å; R342-Y344 VanDerWaalsContact C-N 3.29Å; R342-Y344 PolarHBondContact O-N 3.36Å; R342-Q345 CarbonylContact O-C 3.47Å; R342-Q345 WeakPolarHBondContact O-CA 3.49Å; R342-Q345 WeakPolarHBondContact O-CB 3.5Å; R342-Q345 PolarHBondContact O-N 3.29Å; R342-E346 PolarHBondContact O-N 2.86Å |
| 343 | D | 97.8 | Very high | 97.9 | Very high | 85 Ų | 85 | 97.4 Ų | 97.4 | 46% | 0.455 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.4 | -38.3 | -178.1 | -52.2 | -18.7 | 0 | 0 | 0 | 111.3 | S339 Q340 L347 | S339-D343 PolarHBondContact O-N 2.88Å; S339-D343 VanDerWaalsContact O-OD1 3.12Å; Q340-D343 PolarHBondContact O-N 2.81Å; D343-L347 WeakPolarHBondContact O-CB 3.18Å; D343-L347 PolarHBondContact O-N 2.82Å |
| 344 | Y | 98.3 | Very high | 97.9 | Very high | 158 Ų | 158 | 98.4 Ų | 98.4 | 62% | 0.62 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.4 | -39 | 172.2 | -78.1 | -57.9 | 0 | 0 | 0 | 113 | Q340 R342 L347 L348 | Q340-Y344 HydrophobicContact CB-CD2 4.47Å; Q340-Y344 HydrophobicContact CB-CE2 4.3Å; Q340-Y344 WeakPolarHBondContact O-CB 3.38Å; Q340-Y344 WeakPolarHBondContact O-CD2 3.39Å; Q340-Y344 PolarHBondContact O-N 3.48Å; R342-Y344 VanDerWaalsContact C-N 3.29Å; R342-Y344 PolarHBondContact O-N 3.36Å; Y344-L347 PolarHBondContact O-N 3.46Å; Y344-L348 WeakPolarHBondContact O-CB 3.06Å; Y344-L348 PolarHBondContact O-N 2.9Å |
| 345 | Q | 97.9 | Very high | 97.8 | Very high | 97 Ų | 97 | 95.8 Ų | 95.8 | 45% | 0.453 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69 | -38.8 | 176.3 | -175.4 | 59.7 | 56 | 0 | 0 | 111.5 | L341 R342 L348 N349 | L341-Q345 PolarHBondContact O-N 3.15Å; L341-Q345 VanDerWaalsContact O-N 3.13Å; R342-Q345 CarbonylContact O-C 3.47Å; R342-Q345 WeakPolarHBondContact O-CA 3.49Å; R342-Q345 WeakPolarHBondContact O-CB 3.5Å; R342-Q345 PolarHBondContact O-N 3.29Å; Q345-L348 PolarHBondContact O-N 3.44Å; Q345-N349 PolarHBondContact NE2-OD1 3.31Å; Q345-N349 WeakPolarHBondContact O-CB 3.49Å; Q345-N349 PolarHBondContact O-N 2.81Å; Q345-N349 PolarHBondContact O-ND2 3.49Å; Q345-N349 PolarHBondContact O-OD1 3.32Å |
| 346 | E | 97.6 | Very high | 97.7 | Very high | 118 Ų | 118 | 93.2 Ų | 93.2 | 55% | 0.551 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.5 | -44 | 173.4 | -71.9 | -177.8 | -155 | 0 | 0 | 111.4 | R342 L348 N349 V350 | R342-E346 PolarHBondContact O-N 2.86Å; E346-L348 VanDerWaalsContact C-N 3.33Å; E346-L348 PolarHBondContact O-N 3.13Å; E346-N349 WeakPolarHBondContact O-CB 3.4Å; E346-N349 PolarHBondContact O-N 3.41Å; E346-V350 WeakPolarHBondContact O-CG2 3.39Å; E346-V350 PolarHBondContact O-N 2.97Å |
| 347 | L | 98.1 | Very high | 97.7 | Very high | 112 Ų | 112 | 93.2 Ų | 93.2 | 59% | 0.586 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.2 | -38.5 | 174.2 | -177.7 | 60.9 | 0 | 0 | 0 | 112.4 | D343 Y344 V350 K351 | D343-L347 WeakPolarHBondContact O-CB 3.18Å; D343-L347 PolarHBondContact O-N 2.82Å; Y344-L347 PolarHBondContact O-N 3.46Å; L347-V350 PolarHBondContact O-N 2.98Å; L347-K351 WeakPolarHBondContact O-CB 3.42Å; L347-K351 PolarHBondContact O-N 3.43Å |
| 348 | L | 97.6 | Very high | 97.6 | Very high | 82 Ų | 82 | 91.9 Ų | 91.9 | 43% | 0.429 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 173.6 | 178.2 | 59.1 | 0 | 0 | 0 | 111.6 | Y344 Q345 E346 K351 M352 | Y344-L348 WeakPolarHBondContact O-CB 3.06Å; Y344-L348 PolarHBondContact O-N 2.9Å; Q345-L348 PolarHBondContact O-N 3.44Å; E346-L348 VanDerWaalsContact C-N 3.33Å; E346-L348 PolarHBondContact O-N 3.13Å; L348-K351 PolarHBondContact O-N 3.32Å; L348-M352 HydrophobicContact CD1-CG 4.48Å; L348-M352 HydrophobicContact CG-SD 4.44Å; L348-M352 WeakPolarHBondContact O-CG 3.28Å; L348-M352 PolarHBondContact O-N 3.34Å |
| 349 | N | 97.3 | Very high | 97.5 | Very high | 85 Ų | 85 | 92.3 Ų | 92.3 | 46% | 0.455 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 176 | -65.4 | -16.4 | 0 | 0 | 0 | 111.2 | Q345 E346 M352 A353 | Q345-N349 PolarHBondContact NE2-OD1 3.31Å; Q345-N349 WeakPolarHBondContact O-CB 3.49Å; Q345-N349 PolarHBondContact O-N 2.81Å; Q345-N349 PolarHBondContact O-ND2 3.49Å; Q345-N349 PolarHBondContact O-OD1 3.32Å; E346-N349 WeakPolarHBondContact O-CB 3.4Å; E346-N349 PolarHBondContact O-N 3.41Å; N349-M352 PolarHBondContact O-N 3.24Å; N349-A353 PolarHBondContact O-N 2.76Å |
| 350 | V | 97.9 | Very high | 97.4 | Very high | 83 Ų | 83 | 94 Ų | 94 | 50% | 0.503 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 174.3 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | E346 L347 M352 A353 L354 | E346-V350 WeakPolarHBondContact O-CG2 3.39Å; E346-V350 PolarHBondContact O-N 2.97Å; L347-V350 PolarHBondContact O-N 2.98Å; V350-M352 VanDerWaalsContact C-N 3.32Å; V350-M352 PolarHBondContact O-N 2.89Å; V350-A353 PolarHBondContact O-N 3.16Å; V350-L354 HydrophobicContact CG1-CD1 4.14Å; V350-L354 WeakPolarHBondContact O-CG 3.29Å; V350-L354 PolarHBondContact O-N 3.48Å |
| 351 | K | 97.8 | Very high | 97.3 | Very high | 106 Ų | 106 | 96.3 Ų | 96.3 | 46% | 0.461 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.2 | -39.9 | 175.7 | -174.7 | -90.1 | 175.6 | -175.6 | 0 | 111.9 | L347 L348 L354 D355 | L347-K351 WeakPolarHBondContact O-CB 3.42Å; L347-K351 PolarHBondContact O-N 3.43Å; L348-K351 PolarHBondContact O-N 3.32Å; K351-L354 PolarHBondContact O-N 2.93Å; K351-D355 VanDerWaalsContact CE-OD2 3.28Å; K351-D355 WeakPolarHBondContact CE-OD2 3.44Å; K351-D355 IonicContact NZ-OD1 3.54Å; K351-D355 IonicContact NZ-OD2 2.63Å; K351-D355 PolarHBondContact NZ-OD2 3.11Å; K351-D355 PolarHBondContact O-N 2.85Å |
| 352 | M | 97.9 | Very high | 97.2 | Very high | 100 Ų | 100 | 98.1 Ų | 98.1 | 49% | 0.493 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.3 | -38.3 | 175.7 | -74.2 | 178.3 | 60.4 | 0 | 0 | 112.4 | L348 N349 V350 D355 I356 | L348-M352 HydrophobicContact CD1-CG 4.48Å; L348-M352 HydrophobicContact CG-SD 4.44Å; L348-M352 WeakPolarHBondContact O-CG 3.28Å; L348-M352 PolarHBondContact O-N 3.34Å; N349-M352 PolarHBondContact O-N 3.24Å; V350-M352 VanDerWaalsContact C-N 3.32Å; V350-M352 PolarHBondContact O-N 2.89Å; M352-D355 PolarHBondContact O-N 3.1Å; M352-I356 WeakPolarHBondContact O-CD1 3.45Å; M352-I356 VanDerWaalsContact O-CG1 3.29Å; M352-I356 WeakPolarHBondContact O-CG1 3.43Å; M352-I356 PolarHBondContact O-N 3Å; M352-I356 VanDerWaalsContact O-N 3.11Å |
| 353 | A | 97.9 | Very high | 97 | Very high | 46 Ų | 46 | 100.1 Ų | 100.1 | 38% | 0.38 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | N349 V350 D355 I356 E357 | N349-A353 PolarHBondContact O-N 2.76Å; V350-A353 PolarHBondContact O-N 3.16Å; A353-D355 PolarHBondContact O-N 3.45Å; A353-I356 WeakPolarHBondContact O-CB 3.21Å; A353-I356 PolarHBondContact O-N 3.38Å; A353-I356 VanDerWaalsContact O-N 3.14Å; A353-E357 WeakPolarHBondContact O-CG 3.45Å; A353-E357 PolarHBondContact O-N 2.63Å |
| 354 | L | 97.6 | Very high | 96.7 | Very high | 86 Ų | 86 | 101.5 Ų | 101.5 | 45% | 0.45 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.4 | -38.2 | 176.5 | -68.9 | 170.5 | 0 | 0 | 0 | 113 | V350 K351 I356 E357 I358 | V350-L354 HydrophobicContact CG1-CD1 4.14Å; V350-L354 WeakPolarHBondContact O-CG 3.29Å; V350-L354 PolarHBondContact O-N 3.48Å; K351-L354 PolarHBondContact O-N 2.93Å; L354-I356 VanDerWaalsContact C-N 3.31Å; L354-I356 PolarHBondContact O-N 2.89Å; L354-E357 PolarHBondContact O-N 3.05Å; L354-I358 WeakPolarHBondContact O-CB 3.4Å; L354-I358 WeakPolarHBondContact O-CD1 3.47Å; L354-I358 WeakPolarHBondContact O-CG1 3.41Å; L354-I358 PolarHBondContact O-N 3.25Å |
| 355 | D | 97.3 | Very high | 96.3 | Very high | 75 Ų | 75 | 99 Ų | 99 | 40% | 0.401 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 172.4 | -77.7 | -23.2 | 0 | 0 | 0 | 111.6 | K351 M352 A353 I358 A359 | K351-D355 VanDerWaalsContact CE-OD2 3.28Å; K351-D355 WeakPolarHBondContact CE-OD2 3.44Å; K351-D355 IonicContact NZ-OD1 3.54Å; K351-D355 IonicContact NZ-OD2 2.63Å; K351-D355 PolarHBondContact NZ-OD2 3.11Å; K351-D355 PolarHBondContact O-N 2.85Å; M352-D355 PolarHBondContact O-N 3.1Å; A353-D355 PolarHBondContact O-N 3.45Å; D355-I358 PolarHBondContact O-N 3.42Å; D355-A359 WeakPolarHBondContact O-CB 3.5Å; D355-A359 PolarHBondContact O-N 2.89Å |
| 356 | I | 96.5 | Very high | 95.6 | Very high | 118 Ų | 118 | 99.5 Ų | 99.5 | 61% | 0.605 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.7 | -42.6 | 178.6 | -68.1 | 163.4 | 0 | 0 | 0 | 110.6 | M352 A353 L354 A359 A360 | M352-I356 WeakPolarHBondContact O-CD1 3.45Å; M352-I356 VanDerWaalsContact O-CG1 3.29Å; M352-I356 WeakPolarHBondContact O-CG1 3.43Å; M352-I356 PolarHBondContact O-N 3Å; M352-I356 VanDerWaalsContact O-N 3.11Å; A353-I356 WeakPolarHBondContact O-CB 3.21Å; A353-I356 PolarHBondContact O-N 3.38Å; A353-I356 VanDerWaalsContact O-N 3.14Å; L354-I356 VanDerWaalsContact C-N 3.31Å; L354-I356 PolarHBondContact O-N 2.89Å; I356-A359 PolarHBondContact O-N 2.96Å; I356-A360 WeakPolarHBondContact O-CB 3.39Å; I356-A360 PolarHBondContact O-N 2.87Å |
| 357 | E | 97.4 | Very high | 94.6 | Very high | 94 Ų | 94 | 95.2 Ų | 95.2 | 44% | 0.439 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.5 | -48.1 | 173.1 | -73.3 | 177.5 | -170.7 | 0 | 0 | 111.4 | A353 L354 A359 A360 Y361 | A353-E357 WeakPolarHBondContact O-CG 3.45Å; A353-E357 PolarHBondContact O-N 2.63Å; L354-E357 PolarHBondContact O-N 3.05Å; E357-A359 VanDerWaalsContact C-N 3.3Å; E357-A359 PolarHBondContact O-N 3.41Å; E357-A360 WeakPolarHBondContact O-CB 3.06Å; E357-A360 PolarHBondContact O-N 3.24Å; E357-A360 VanDerWaalsContact O-N 3.11Å; E357-Y361 HydrophobicContact CB-CD2 4.35Å; E357-Y361 HydrophobicContact CB-CE2 4.1Å; E357-Y361 WeakPolarHBondContact O-CD2 3.3Å; E357-Y361 PolarHBondContact O-N 3.47Å |
| 358 | I | 95.7 | Very high | 93.3 | Very high | 79 Ų | 79 | 95 Ų | 95 | 41% | 0.405 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.9 | -40.4 | 176.7 | -70.6 | 164.5 | 0 | 0 | 0 | 111.1 | L354 D355 R362 | L354-I358 WeakPolarHBondContact O-CB 3.4Å; L354-I358 WeakPolarHBondContact O-CD1 3.47Å; L354-I358 WeakPolarHBondContact O-CG1 3.41Å; L354-I358 PolarHBondContact O-N 3.25Å; D355-I358 PolarHBondContact O-N 3.42Å; I358-R362 WeakPolarHBondContact O-CB 3.36Å; I358-R362 VanDerWaalsContact O-CG 3.27Å; I358-R362 WeakPolarHBondContact O-CG 3.48Å; I358-R362 PolarHBondContact O-N 3.26Å |
| 359 | A | 96 | Very high | 91.8 | Very high | 55 Ų | 55 | 97.3 Ų | 97.3 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D355 I356 E357 K363 | D355-A359 WeakPolarHBondContact O-CB 3.5Å; D355-A359 PolarHBondContact O-N 2.89Å; I356-A359 PolarHBondContact O-N 2.96Å; E357-A359 VanDerWaalsContact C-N 3.3Å; E357-A359 PolarHBondContact O-N 3.41Å; A359-K363 WeakPolarHBondContact O-CB 3.27Å; A359-K363 PolarHBondContact O-N 2.96Å |
| 360 | A | 95.1 | Very high | 90 | Very high | 58 Ų | 58 | 98.8 Ų | 98.8 | 48% | 0.479 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.7 | -44.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | I356 E357 K363 L364 | I356-A360 WeakPolarHBondContact O-CB 3.39Å; I356-A360 PolarHBondContact O-N 2.87Å; E357-A360 WeakPolarHBondContact O-CB 3.06Å; E357-A360 PolarHBondContact O-N 3.24Å; E357-A360 VanDerWaalsContact O-N 3.11Å; A360-K363 PolarHBondContact O-N 3.11Å; A360-L364 WeakPolarHBondContact O-CB 3.45Å; A360-L364 PolarHBondContact O-N 2.93Å |
| 361 | Y | 96.5 | Very high | 88.2 | Confident | 149 Ų | 149 | 104 Ų | 104 | 58% | 0.584 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.6 | -43.5 | 175.5 | -71.8 | -55.9 | 0 | 0 | 0 | 112.1 | E357 L364 L365 | E357-Y361 HydrophobicContact CB-CD2 4.35Å; E357-Y361 HydrophobicContact CB-CE2 4.1Å; E357-Y361 WeakPolarHBondContact O-CD2 3.3Å; E357-Y361 PolarHBondContact O-N 3.47Å; Y361-L364 PolarHBondContact O-N 3.47Å; Y361-L365 WeakPolarHBondContact O-CG 3.36Å; Y361-L365 PolarHBondContact O-N 3.4Å |
| 362 | R | 95.1 | Very high | 86.1 | Confident | 161 Ų | 161 | 107.2 Ų | 107.2 | 61% | 0.608 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -57.5 | -50.1 | 173.4 | -76.2 | 172.7 | -177 | 169.2 | 4.3 | 111.6 | I358 L364 L365 E366 | I358-R362 WeakPolarHBondContact O-CB 3.36Å; I358-R362 VanDerWaalsContact O-CG 3.27Å; I358-R362 WeakPolarHBondContact O-CG 3.48Å; I358-R362 PolarHBondContact O-N 3.26Å; R362-L364 VanDerWaalsContact C-N 3.25Å; R362-L364 PolarHBondContact O-N 2.93Å; R362-L365 PolarHBondContact O-N 3.2Å; R362-L365 VanDerWaalsContact O-N 3.16Å; R362-E366 VanDerWaalsContact O-CG 3.3Å; R362-E366 WeakPolarHBondContact O-CG 3.49Å; R362-E366 PolarHBondContact O-N 3.11Å |
| 363 | K | 93.6 | Very high | 83.9 | Confident | 155 Ų | 155 | 108.1 Ų | 108.1 | 67% | 0.674 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62 | -31.4 | 178.5 | -173.4 | 176.3 | -179.9 | -179.8 | 0 | 113.1 | A359 A360 G367 | A359-K363 WeakPolarHBondContact O-CB 3.27Å; A359-K363 PolarHBondContact O-N 2.96Å; A360-K363 PolarHBondContact O-N 3.11Å; K363-G367 PolarHBondContact O-N 3.36Å; K363-G367 VanDerWaalsContact O-N 3.17Å |
| 364 | L | 92.7 | Very high | 81.7 | Confident | 115 Ų | 115 | 111.2 Ų | 111.2 | 60% | 0.602 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -70.6 | -45.6 | 174.6 | -164.8 | 71.1 | 0 | 0 | 0 | 111.2 | A360 Y361 R362 G367 E368 | A360-L364 WeakPolarHBondContact O-CB 3.45Å; A360-L364 PolarHBondContact O-N 2.93Å; Y361-L364 PolarHBondContact O-N 3.47Å; R362-L364 VanDerWaalsContact C-N 3.25Å; R362-L364 PolarHBondContact O-N 2.93Å; L364-G367 CarbonylContact O-C 3.59Å; L364-G367 WeakPolarHBondContact O-CA 3.48Å; L364-G367 PolarHBondContact O-N 2.87Å; L364-G367 VanDerWaalsContact O-N 3.13Å; L364-E368 PolarHBondContact O-N 3.39Å; L364-E368 VanDerWaalsContact O-N 3.1Å |
| 365 | L | 88.3 | Confident | 79.5 | Confident | 106 Ų | 106 | 110 Ų | 110 | 56% | 0.555 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.5 | -45 | 176.3 | -71.6 | 162.9 | 0 | 0 | 0 | 112.2 | Y361 R362 G367 E368 E369 | Y361-L365 WeakPolarHBondContact O-CG 3.36Å; Y361-L365 PolarHBondContact O-N 3.4Å; R362-L365 PolarHBondContact O-N 3.2Å; R362-L365 VanDerWaalsContact O-N 3.16Å; L365-G367 PolarHBondContact O-N 2.9Å; L365-E368 WeakPolarHBondContact O-CA 3.38Å; L365-E368 PolarHBondContact O-N 3.46Å; L365-E369 PolarHBondContact O-N 2.88Å |
| 366 | E | 83.9 | Confident | 77.2 | Confident | 107 Ų | 107 | 109.6 Ų | 109.6 | 50% | 0.5 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -55 | -40.9 | 171.3 | -71.4 | 162.9 | -162 | 0 | 0 | 111.1 | R362 E368 E369 N370 | R362-E366 VanDerWaalsContact O-CG 3.3Å; R362-E366 WeakPolarHBondContact O-CG 3.49Å; R362-E366 PolarHBondContact O-N 3.11Å; E366-E368 VanDerWaalsContact C-N 3.27Å; E366-E368 PolarHBondContact O-N 2.98Å; E366-E369 PolarHBondContact O-N 3.24Å; E366-N370 WeakPolarHBondContact O-CB 3.49Å; E366-N370 PolarHBondContact O-N 3.33Å; E366-N370 PolarHBondContact O-OD1 2.91Å |
| 367 | G | 76.4 | Confident | 74.4 | Confident | 27 Ų | 27 | 109.3 Ų | 109.3 | 28% | 0.278 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -71.4 | -11.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | K363 L364 L365 R371 | K363-G367 PolarHBondContact O-N 3.36Å; K363-G367 VanDerWaalsContact O-N 3.17Å; L364-G367 CarbonylContact O-C 3.59Å; L364-G367 WeakPolarHBondContact O-CA 3.48Å; L364-G367 PolarHBondContact O-N 2.87Å; L364-G367 VanDerWaalsContact O-N 3.13Å; L365-G367 PolarHBondContact O-N 2.9Å; G367-R371 WeakPolarHBondContact O-CG 3.37Å; G367-R371 PolarHBondContact O-NE 3.16Å; G367-R371 VanDerWaalsContact O-NE 3.08Å |
| 368 | E | 70.9 | Confident | 72.4 | Confident | 107 Ų | 107 | 110.5 Ų | 110.5 | 50% | 0.5 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -95.8 | -40.7 | 168.5 | -67.7 | -165.3 | 147.9 | 0 | 0 | 111.3 | L364 L365 E366 N370 R371 F372 | L364-E368 PolarHBondContact O-N 3.39Å; L364-E368 VanDerWaalsContact O-N 3.1Å; L365-E368 WeakPolarHBondContact O-CA 3.38Å; L365-E368 PolarHBondContact O-N 3.46Å; E366-E368 VanDerWaalsContact C-N 3.27Å; E366-E368 PolarHBondContact O-N 2.98Å; E368-N370 PolarHBondContact O-N 3.47Å; E368-R371 WeakPolarHBondContact O-CA 3.41Å; E368-R371 WeakPolarHBondContact O-CB 3.29Å; E368-R371 PolarHBondContact O-N 3.14Å; E368-F372 WeakPolarHBondContact O-CD2 3.49Å; E368-F372 PolarHBondContact O-N 3.29Å; E368-F372 VanDerWaalsContact O-N 3.07Å |
| 369 | E | 65.2 | Low | 69.8 | Low | 132 Ų | 132 | 117 Ų | 117 | 62% | 0.617 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -56.1 | -40.5 | 169.9 | -72.4 | -164.5 | 143.7 | 0 | 0 | 111.3 | L365 E366 R371 F372 V373 | L365-E369 PolarHBondContact O-N 2.88Å; E366-E369 PolarHBondContact O-N 3.24Å; E369-R371 PolarHBondContact O-N 2.98Å; E369-F372 PolarHBondContact O-N 2.87Å; E369-V373 WeakPolarHBondContact O-CB 3.35Å; E369-V373 VanDerWaalsContact O-CG2 3.29Å; E369-V373 WeakPolarHBondContact O-CG2 3.44Å; E369-V373 PolarHBondContact O-N 2.94Å |
| 370 | N | 59.5 | Low | 67.5 | Low | 115 Ų | 115 | 119.7 Ų | 119.7 | 62% | 0.615 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -60.3 | -25.4 | 173.7 | -68.6 | 164.4 | 0 | 0 | 0 | 113.6 | E366 E368 S374 | E366-N370 WeakPolarHBondContact O-CB 3.49Å; E366-N370 PolarHBondContact O-N 3.33Å; E366-N370 PolarHBondContact O-OD1 2.91Å; E368-N370 PolarHBondContact O-N 3.47Å; N370-S374 VanDerWaalsContact O-CB 3.28Å; N370-S374 WeakPolarHBondContact O-CB 3.28Å; N370-S374 PolarHBondContact O-N 3.31Å |
| 371 | R | 61.6 | Low | 64.9 | Low | 192 Ų | 192 | 126.5 Ų | 126.5 | 73% | 0.725 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -80.1 | -42.6 | 174.6 | -60.4 | 171.9 | -163.2 | -99.6 | 2.5 | 111.2 | G367 E368 E369 S374 G375 | G367-R371 WeakPolarHBondContact O-CG 3.37Å; G367-R371 PolarHBondContact O-NE 3.16Å; G367-R371 VanDerWaalsContact O-NE 3.08Å; E368-R371 WeakPolarHBondContact O-CA 3.41Å; E368-R371 WeakPolarHBondContact O-CB 3.29Å; E368-R371 PolarHBondContact O-N 3.14Å; E369-R371 PolarHBondContact O-N 2.98Å; R371-S374 PolarHBondContact O-N 3.36Å; R371-G375 PolarHBondContact O-N 3.04Å |
| 372 | F | 53 | Low | 62.7 | Low | 174 Ų | 174 | 126.6 Ų | 126.6 | 76% | 0.763 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -64.7 | -40.1 | 174.7 | -81.8 | -79.2 | 0 | 0 | 0 | 112.3 | E368 E369 G375 | E368-F372 WeakPolarHBondContact O-CD2 3.49Å; E368-F372 PolarHBondContact O-N 3.29Å; E368-F372 VanDerWaalsContact O-N 3.07Å; E369-F372 PolarHBondContact O-N 2.87Å; F372-G375 WeakPolarHBondContact O-CA 3.49Å; F372-G375 PolarHBondContact O-N 2.82Å |
| 373 | V | 52.5 | Low | 59.9 | Low | 119 Ų | 119 | 126.8 Ų | 126.8 | 72% | 0.721 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -70.5 | -34.1 | 177.5 | 172.8 | 0 | 0 | 0 | 0 | 112.2 | E369 G375 | E369-V373 WeakPolarHBondContact O-CB 3.35Å; E369-V373 VanDerWaalsContact O-CG2 3.29Å; E369-V373 WeakPolarHBondContact O-CG2 3.44Å; E369-V373 PolarHBondContact O-N 2.94Å; V373-G375 PolarHBondContact O-N 3.11Å |
| 374 | S | 51.4 | Low | 57.4 | Low | 111 Ų | 111 | 124.8 Ų | 124.8 | 78% | 0.776 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -8.2 | 170 | -160.8 | 0 | 0 | 0 | 0 | 113.1 | N370 R371 | N370-S374 VanDerWaalsContact O-CB 3.28Å; N370-S374 WeakPolarHBondContact O-CB 3.28Å; N370-S374 PolarHBondContact O-N 3.31Å; R371-S374 PolarHBondContact O-N 3.36Å |
| 375 | G | 50.6 | Low | 55.1 | Low | 61 Ų | 61 | 130.6 Ų | 130.6 | 63% | 0.629 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 5.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | R371 F372 V373 | R371-G375 PolarHBondContact O-N 3.04Å; F372-G375 WeakPolarHBondContact O-CA 3.49Å; F372-G375 PolarHBondContact O-N 2.82Å; V373-G375 PolarHBondContact O-N 3.11Å |
| 376 | G | 48.5 | Very low | 52.7 | Low | 67 Ų | 67 | 133.6 Ų | 133.6 | 69% | 0.691 | 70% | 0.704 | S | S | * | * | trans | 77.1 | 93.5 | 164 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 377 | S | 39.1 | Very low | 50.7 | Low | 112 Ų | 112 | 134.2 Ų | 134.2 | 78% | 0.783 | 72% | 0.721 | S | S | * | * | trans | -153.1 | 131.8 | 154.1 | -173.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 378 | P | 55.4 | Low | 48.9 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | trans | -105.5 | 88.6 | -176.1 | 37.2 | -30.7 | 0 | 0 | 0 | 113.3 | ||||
| 379 | Y | 39.9 | Very low | 47.2 | Very low | 216 Ų | 216 | 139.9 Ų | 139.9 | 85% | 0.847 | 75% | 0.752 | S | S | * | * | trans | -151.1 | 109.8 | 157.9 | -117.2 | -80.6 | 0 | 0 | 0 | 113.9 | ||||
| 380 | T | 47.5 | Very low | 45.8 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | trans | 19.5 | 126.2 | 155.8 | 63.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 381 | Y | 40.6 | Very low | 44.7 | Very low | 200 Ų | 200 | 144.2 Ų | 144.2 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | -146.6 | 145.3 | 106 | -166.4 | -100.7 | 0 | 0 | 0 | 110.3 | E383 | Y381-E383 HydrophobicContact CD1-CB 4.38Å; Y381-E383 HydrophobicContact CE1-CB 4.11Å | |||
| 382 | L | 51.2 | Low | 43.6 | Very low | 151 Ų | 151 | 141 Ų | 141 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -97.5 | 112.6 | 171.4 | -90 | 92.6 | 0 | 0 | 0 | 109.9 | ||||
| 383 | E | 35.9 | Very low | 42.5 | Very low | 166 Ų | 166 | 139.5 Ų | 139.5 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -156.5 | 90.9 | 147.4 | -155.3 | 70.9 | -98.8 | 0 | 0 | 109.4 | Y381 | Y381-E383 HydrophobicContact CD1-CB 4.38Å; Y381-E383 HydrophobicContact CE1-CB 4.11Å | ||
| 384 | S | 40.3 | Very low | 42 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | -153.2 | 91.7 | 177.4 | -165.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 385 | R | 45.1 | Very low | 41.2 | Very low | 238 Ų | 238 | 140.9 Ų | 140.9 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | trans | 170 | 96 | 141.5 | -94.7 | 177.2 | -148.5 | -160.1 | 6.7 | 111.3 | ||||
| 386 | I | 37.5 | Very low | 40.8 | Very low | 168 Ų | 168 | 147 Ų | 147 | 86% | 0.862 | 78% | 0.781 | S | S | * | * | trans | -132.4 | 100.4 | 132.5 | -58.2 | -176.1 | 0 | 0 | 0 | 107.1 | ||||
| 387 | S | 42.9 | Very low | 40.3 | Very low | 120 Ų | 120 | 152 Ų | 152 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | trans | -117.9 | 105.7 | 163.8 | 179.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 388 | A | 37.3 | Very low | 40 | Very low | 75 Ų | 75 | 150.5 Ų | 150.5 | 62% | 0.62 | 78% | 0.78 | S | S | * | * | trans | -154.1 | 82 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 389 | H | 36.1 | Very low | 39.3 | Very low | 178 Ų | 178 | 152.9 Ų | 152.9 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | 59.8 | 81 | 142.2 | -47.6 | -18.4 | 0 | 0 | 0 | 118.6 | K391 | H389-K391 PolarHBondContact O-N 3.17Š| ||
| 390 | V | 35.2 | Very low | 39.1 | Very low | 144 Ų | 144 | 147.7 Ų | 147.7 | 87% | 0.873 | 78% | 0.777 | S | S | * | * | trans | -80.7 | 107.5 | 147.7 | 179.9 | 0 | 0 | 0 | 0 | 107.7 | V392 | V390-V392 HydrophobicContact CG1-CG2 4.09Å; V390-V392 PolarHBondContact O-N 2.92Å | ||
| 391 | K | 37.8 | Very low | 38.6 | Very low | 195 Ų | 195 | 148.4 Ų | 148.4 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | trans | -98 | 76.3 | -176.9 | -165.2 | 173.3 | -174.5 | 176.8 | 0 | 110 | H389 K393 | H389-K391 PolarHBondContact O-N 3.17Å; K391-K393 PolarHBondContact O-N 3.13Å; K391-K393 VanDerWaalsContact O-N 3.13Å | ||
| 392 | V | 37.3 | Very low | 38.4 | Very low | 125 Ų | 125 | 146.4 Ų | 146.4 | 76% | 0.758 | 78% | 0.782 | S | S | * | * | trans | -62.5 | 115.8 | 169.9 | -177.4 | 0 | 0 | 0 | 0 | 107.5 | V390 | V390-V392 HydrophobicContact CG1-CG2 4.09Å; V390-V392 PolarHBondContact O-N 2.92Å | ||
| 393 | K | 31 | Very low | 37.7 | Very low | 141 Ų | 141 | 144.6 Ų | 144.6 | 61% | 0.613 | 78% | 0.777 | S | S | * | * | trans | -84.5 | 113.2 | 174.3 | 178.1 | 179.2 | 166.5 | -118.5 | 0 | 106.7 | K391 E395 | K391-K393 PolarHBondContact O-N 3.13Å; K391-K393 VanDerWaalsContact O-N 3.13Å; K393-E395 IonicContact NZ-OE1 2.91Å; K393-E395 PolarHBondContact NZ-OE1 3.37Å; K393-E395 IonicContact NZ-OE2 3.08Å; K393-E395 PolarHBondContact NZ-OE2 3.36Å; K393-E395 PolarHBondContact O-N 3.41Å | ||
| 394 | S | 42 | Very low | 38 | Very low | 114 Ų | 114 | 145 Ų | 145 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -59.6 | 124.5 | 168 | -52 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 395 | E | 34.5 | Very low | 37.8 | Very low | 145 Ų | 145 | 147.9 Ų | 147.9 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | trans | -129 | 119.8 | 172 | -157 | 120.3 | -116.9 | 0 | 0 | 104.5 | K393 I397 | K393-E395 IonicContact NZ-OE1 2.91Å; K393-E395 PolarHBondContact NZ-OE1 3.37Å; K393-E395 IonicContact NZ-OE2 3.08Å; K393-E395 PolarHBondContact NZ-OE2 3.36Å; K393-E395 PolarHBondContact O-N 3.41Å; E395-I397 PolarHBondContact O-N 2.96Å | ||
| 396 | E | 41.1 | Very low | 37.3 | Very low | 191 Ų | 191 | 143.4 Ų | 143.4 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | -75 | 110.1 | -165.6 | -66.9 | 164.6 | 127.1 | 0 | 0 | 110.2 | S398 | E396-S398 PolarHBondContact O-N 2.87Š| ||
| 397 | I | 39.4 | Very low | 37.2 | Very low | 171 Ų | 171 | 140.9 Ų | 140.9 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | trans | -81.5 | 96.8 | 162.7 | -57.5 | 179.7 | 0 | 0 | 0 | 106.1 | E395 | E395-I397 PolarHBondContact O-N 2.96Š| ||
| 398 | S | 32.8 | Very low | 36.7 | Very low | 80 Ų | 80 | 140.5 Ų | 140.5 | 56% | 0.559 | 75% | 0.751 | S | S | * | * | trans | -61.9 | 145.7 | 178.7 | 52.9 | 0 | 0 | 0 | 0 | 112.5 | E396 T400 | E396-S398 PolarHBondContact O-N 2.87Å; S398-T400 PolarHBondContact O-N 2.98Å | ||
| 399 | D | 39.8 | Very low | 36.8 | Very low | 168 Ų | 168 | 144.5 Ų | 144.5 | 90% | 0.898 | 76% | 0.756 | S | S | * | * | trans | -53.1 | 104.4 | 165.2 | -70 | -58.2 | 0 | 0 | 0 | 110.5 | ||||
| 400 | T | 36.2 | Very low | 36.8 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 66% | 0.663 | 76% | 0.756 | S | S | * | * | trans | -119.7 | 94.7 | 165.8 | 44.7 | 0 | 0 | 0 | 0 | 107.1 | S398 I402 | S398-T400 PolarHBondContact O-N 2.98Å; T400-I402 PolarHBondContact O-N 3.1Å | ||
| 401 | V | 37.3 | Very low | 36.7 | Very low | 126 Ų | 126 | 143.9 Ų | 143.9 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | trans | -59.1 | 106 | 173.6 | 175.7 | 0 | 0 | 0 | 0 | 107.8 | V403 | V401-V403 HydrophobicContact CG1-CG2 4.28Å; V401-V403 PolarHBondContact O-N 3.29Å; V401-V403 VanDerWaalsContact O-N 3.08Å | ||
| 402 | I | 35.7 | Very low | 36.4 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | trans | -71 | 101.5 | 163.7 | -60 | 178.1 | 0 | 0 | 0 | 105.2 | T400 E404 | T400-I402 PolarHBondContact O-N 3.1Å; I402-E404 PolarHBondContact O-N 3.24Å | ||
| 403 | V | 36.6 | Very low | 36.2 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | trans | -61.7 | 133.4 | 173.9 | 176.4 | 0 | 0 | 0 | 0 | 108.1 | V401 E405 | V401-V403 HydrophobicContact CG1-CG2 4.28Å; V401-V403 PolarHBondContact O-N 3.29Å; V401-V403 VanDerWaalsContact O-N 3.08Å; V403-E405 PolarHBondContact O-N 2.81Å | ||
| 404 | E | 42.4 | Very low | 36.4 | Very low | 176 Ų | 176 | 143.5 Ų | 143.5 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | -65.5 | 100.6 | 170.8 | -67.8 | 177.6 | 114 | 0 | 0 | 108.9 | I402 Q406 | I402-E404 PolarHBondContact O-N 3.24Å; E404-Q406 PolarHBondContact O-N 3.2Å | ||
| 405 | E | 35.8 | Very low | 36 | Very low | 171 Ų | 171 | 144.6 Ų | 144.6 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | trans | -74.4 | 79.3 | 171.3 | -167.1 | 173.2 | 178.6 | 0 | 0 | 109.3 | V403 T407 | V403-E405 PolarHBondContact O-N 2.81Å; E405-T407 HydrophobicContact CG-CG2 4.24Å; E405-T407 PolarHBondContact O-N 3.19Å | ||
| 406 | Q | 34.8 | Very low | 36 | Very low | 145 Ų | 145 | 143.4 Ų | 143.4 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | trans | -62.8 | 98.8 | 162.5 | -79.8 | -170.2 | -118.2 | 0 | 0 | 109 | E404 D408 | E404-Q406 PolarHBondContact O-N 3.2Å; Q406-D408 PolarHBondContact NE2-OD1 3.32Å; Q406-D408 PolarHBondContact O-N 3.07Å | ||
| 407 | T | 34.5 | Very low | 35.8 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | -75.9 | 79.1 | 167.3 | 58.1 | 0 | 0 | 0 | 0 | 109.3 | E405 E409 | E405-T407 HydrophobicContact CG-CG2 4.24Å; E405-T407 PolarHBondContact O-N 3.19Å; T407-E409 PolarHBondContact O-N 2.89Å | ||
| 408 | D | 33.3 | Very low | 35.5 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 60% | 0.604 | 77% | 0.771 | S | S | * | * | trans | -66.2 | 121.3 | 176.7 | -74.7 | -24.1 | 0 | 0 | 0 | 110.5 | Q406 T410 | Q406-D408 PolarHBondContact NE2-OD1 3.32Å; Q406-D408 PolarHBondContact O-N 3.07Å; D408-T410 PolarHBondContact O-N 3.08Å | ||
| 409 | E | 39.5 | Very low | 35.6 | Very low | 159 Ų | 159 | 145 Ų | 145 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | -64.5 | 96.6 | 179.4 | -66.3 | 173.2 | -176.1 | 0 | 0 | 110 | K331 T407 | K331-E409 IonicContact NZ-OE1 2.76Å; K331-E409 PolarHBondContact NZ-OE1 3.2Å; T407-E409 PolarHBondContact O-N 2.89Å | ||
| 410 | T | 36.8 | Very low | 35 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | -90.2 | 132.4 | -179.7 | 28.2 | 0 | 0 | 0 | 0 | 112 | D408 | D408-T410 PolarHBondContact O-N 3.08Š| ||
| 411 | Q | 32.6 | Very low | 34.9 | Very low | 176 Ų | 176 | 143.7 Ų | 143.7 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -78.6 | 133.6 | -168.6 | -62.1 | 166.9 | 13.5 | 0 | 0 | 111.7 | T413 | Q411-T413 PolarHBondContact O-N 3.06Š| ||
| 412 | V | 31.9 | Very low | 34.6 | Very low | 151 Ų | 151 | 147.8 Ų | 147.8 | 92% | 0.915 | 79% | 0.79 | S | S | * | * | trans | -87.1 | 103 | 169.4 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 413 | T | 31.9 | Very low | 34.3 | Very low | 112 Ų | 112 | 145 Ų | 145 | 69% | 0.687 | 79% | 0.785 | S | S | * | * | trans | -99.6 | 140.9 | 167.1 | 52.6 | 0 | 0 | 0 | 0 | 110.5 | Q411 | Q411-T413 PolarHBondContact O-N 3.06Š| ||
| 414 | E | 36.3 | Very low | 34.4 | Very low | 190 Ų | 190 | 145.5 Ų | 145.5 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | trans | -59 | 134.7 | 178.5 | -59 | 169.2 | 109.2 | 0 | 0 | 112.5 | ||||
| 415 | V | 33.4 | Very low | 33.8 | Very low | 138 Ų | 138 | 141.2 Ų | 141.2 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | -138.8 | 116.3 | 152.1 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 416 | T | 35 | Very low | 33.4 | Very low | 120 Ų | 120 | 140.6 Ų | 140.6 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | trans | -84.2 | 134.5 | 167 | 49.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 417 | E | 36.1 | Very low | 33.1 | Very low | 194 Ų | 194 | 142.1 Ų | 142.1 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | trans | -173.1 | 179.7 | 136.5 | -107.2 | 168.7 | -158.6 | 0 | 0 | 112.1 | ||||
| 418 | E | 32.4 | Very low | 32.7 | Very low | 185 Ų | 185 | 141.8 Ų | 141.8 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -96 | 161.9 | -152.5 | -55.5 | -171.5 | 117.1 | 0 | 0 | 117.3 | ||||
| 419 | A | 34.7 | Very low | 33.1 | Very low | 97 Ų | 97 | 141.9 Ų | 141.9 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | 45.9 | 125.8 | 138.9 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 420 | D | 28.9 | Very low | 32.5 | Very low | 169 Ų | 169 | 143 Ų | 143 | 90% | 0.904 | 80% | 0.8 | S | S | * | * | -153.3 | 169.5 | 106 | -149 | -35 | 0 | 0 | 0 | 109.8 | |||||
| 421 | A | 33.9 | Very low | 32.1 | Very low | 79 Ų | 79 | 141.1 Ų | 141.1 | 65% | 0.653 | 79% | 0.793 | S | S | * | * | trans | -117.4 | 140.3 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 422 | K | 30.6 | Very low | 31.8 | Very low | 211 Ų | 211 | 142 Ų | 142 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | trans | -158.1 | 124.4 | 149.4 | -127.1 | 130.7 | -169.5 | 161.9 | 0 | 114.5 | ||||
| 423 | S | 29.2 | Very low | 31.5 | Very low | 101 Ų | 101 | 140.3 Ų | 140.3 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | -83.6 | 165.6 | 153.7 | 60.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 424 | P | 38.9 | Very low | 32 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | -147 | 131.9 | 94.4 | 35.6 | -18.3 | 0 | 0 | 0 | 116.6 | |||||
| 425 | A | 29.1 | Very low | 32.5 | Very low | 86 Ų | 86 | 136.7 Ų | 136.7 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | 38.8 | 144.7 | 131.2 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 426 | E | 28.4 | Very low | 32.2 | Very low | 157 Ų | 157 | 140 Ų | 140 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | 75.7 | 112.8 | 140.2 | -106.8 | -173.1 | -126.9 | 0 | 0 | 119 | ||||
| 427 | K | 28.2 | Very low | 31.7 | Very low | 178 Ų | 178 | 139.4 Ų | 139.4 | 77% | 0.774 | 79% | 0.787 | S | S | * | * | -167.5 | 163.6 | 61.6 | -89.5 | 168.2 | 177 | 64.1 | 0 | 113.5 | |||||
| 428 | S | 25.9 | Very low | 31.8 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -113.9 | 162.6 | 161.2 | -173.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 429 | P | 41.4 | Very low | 31.5 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | -148.8 | 150.3 | 108 | 37.5 | -21.1 | 0 | 0 | 0 | 117.7 | |||||
| 430 | E | 27.2 | Very low | 31.1 | Very low | 181 Ų | 181 | 134.9 Ų | 134.9 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | 9.4 | 133.8 | 151.3 | -49.7 | -176 | 95.4 | 0 | 0 | 122.1 | ||||
| 431 | S | 27.3 | Very low | 31 | Very low | 93 Ų | 93 | 135.8 Ų | 135.8 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | 166.4 | 155.6 | 82.1 | 58.9 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 432 | K | 26.8 | Very low | 30.6 | Very low | 196 Ų | 196 | 137.3 Ų | 137.3 | 85% | 0.852 | 77% | 0.771 | S | S | * | * | trans | 73.8 | 117.5 | 154.6 | -69.5 | 155 | -175 | 163.6 | 0 | 122 | ||||
| 433 | S | 26.2 | Very low | 30.8 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | -103.6 | -167.9 | 151.2 | -35.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 434 | P | 43 | Very low | 30.7 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | cis | -134.8 | -141.5 | -11.1 | 39.9 | -17.9 | 0 | 0 | 0 | 110.7 | ||||
| 435 | P | 46.6 | Very low | 30.2 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | -122 | 164.1 | -53.2 | 28.7 | -11.6 | 0 | 0 | 0 | 114.1 | |||||
| 436 | K | 25.8 | Very low | 30.1 | Very low | 209 Ų | 209 | 137.4 Ų | 137.4 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | -178.7 | 139.9 | 124.4 | -103 | 169.1 | -177.5 | 179.1 | 0 | 114.4 | |||||
| 437 | S | 24.9 | Very low | 30.2 | Very low | 107 Ų | 107 | 135.6 Ų | 135.6 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -118.1 | -178 | 162.7 | 59.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 438 | P | 38.6 | Very low | 30.3 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | cis | -117 | -164.8 | 4.8 | 33.2 | -9.3 | 0 | 0 | 0 | 111.4 | ||||
| 439 | E | 25.6 | Very low | 31 | Very low | 176 Ų | 176 | 136.8 Ų | 136.8 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | cis | -144.6 | 176.2 | 28.1 | -76.9 | -168 | 94.1 | 0 | 0 | 114.6 | ||||
| 440 | S | 26.6 | Very low | 30.8 | Very low | 90 Ų | 90 | 136.6 Ų | 136.6 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | trans | -95.1 | 153.7 | -178.6 | 57.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 441 | K | 26.2 | Very low | 30.8 | Very low | 187 Ų | 187 | 137.1 Ų | 137.1 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | 170.4 | 135.6 | 121.4 | -91.2 | 150.6 | -169.4 | 158.4 | 0 | 113.8 | |||||
| 442 | S | 26.2 | Very low | 30.9 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -77 | 162.7 | 158.7 | -37.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 443 | P | 34.8 | Very low | 31.6 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | -152.9 | 158.9 | 83.8 | 39.6 | -20.8 | 0 | 0 | 0 | 118.5 | |||||
| 444 | A | 26.7 | Very low | 31.7 | Very low | 93 Ų | 93 | 133.7 Ų | 133.7 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | 17.2 | 116.5 | 149.4 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 445 | A | 29.1 | Very low | 30.9 | Very low | 96 Ų | 96 | 138 Ų | 138 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | 47.1 | 123.2 | 121 | 0 | 0 | 0 | 0 | 0 | 123 | |||||
| 446 | K | 26 | Very low | 30.3 | Very low | 207 Ų | 207 | 137.9 Ų | 137.9 | 90% | 0.9 | 80% | 0.802 | S | S | * | * | 179.6 | 152 | 109.1 | -100.4 | 176.1 | 179.7 | 179.7 | 0 | 114.1 | |||||
| 447 | S | 30.7 | Very low | 31.1 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | -88.4 | 155 | 178.4 | -35.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 448 | P | 30.6 | Very low | 31.3 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | trans | -124.6 | 147.2 | 158.7 | 36.9 | -25.6 | 0 | 0 | 0 | 114.3 | ||||
| 449 | Q | 41 | Very low | 30.8 | Very low | 184 Ų | 184 | 132.8 Ų | 132.8 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -90.9 | 164.8 | 171.9 | -71.1 | -175.1 | -23.3 | 0 | 0 | 113.5 | ||||
| 450 | P | 37.8 | Very low | 30.9 | Very low | 111 Ų | 111 | 132.4 Ų | 132.4 | 72% | 0.721 | 81% | 0.813 | S | S | * | * | trans | -119.1 | 132.2 | 135.6 | 4.8 | 17.1 | 0 | 0 | 0 | 111.3 | ||||
| 451 | K | 25.5 | Very low | 31.1 | Very low | 192 Ų | 192 | 135.9 Ų | 135.9 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | 62.7 | 136.8 | 82.9 | -66.1 | 175.7 | -177.6 | 178.9 | 0 | 113.5 | |||||
| 452 | S | 30.3 | Very low | 31.3 | Very low | 107 Ų | 107 | 131 Ų | 131 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | cis | -178.2 | -166.8 | 1.6 | 55.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 453 | P | 40.8 | Very low | 31.4 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | cis | -131 | -163.6 | -6.6 | 43.2 | -24.5 | 0 | 0 | 0 | 113.7 | ||||
| 454 | A | 28.3 | Very low | 31.3 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | -125.7 | 162.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 455 | K | 27.4 | Very low | 32.4 | Very low | 207 Ų | 207 | 136.2 Ų | 136.2 | 90% | 0.9 | 81% | 0.814 | S | S | * | * | trans | -157.8 | 142.5 | 163.8 | -147.9 | 172.7 | -174.2 | 179.8 | 0 | 112.3 | ||||
| 456 | S | 32.5 | Very low | 33.4 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | -117.8 | 167.6 | 175.2 | -48.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 457 | P | 42.8 | Very low | 33.6 | Very low | 139 Ų | 139 | 132 Ų | 132 | 90% | 0.903 | 80% | 0.803 | S | S | * | * | -136.9 | -166.2 | 108.5 | 38.4 | -25.9 | 0 | 0 | 0 | 113.1 | |||||
| 458 | A | 30.6 | Very low | 33.5 | Very low | 109 Ų | 109 | 136 Ų | 136 | 90% | 0.901 | 81% | 0.805 | S | S | * | * | trans | -120 | 167.8 | -158.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 459 | G | 27.6 | Very low | 33.5 | Very low | 75 Ų | 75 | 135.6 Ų | 135.6 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -157.6 | 167.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 460 | D | 27.9 | Very low | 33.8 | Very low | 168 Ų | 168 | 131.8 Ų | 131.8 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | trans | -156.4 | -159.5 | -169.1 | -149.2 | -44.6 | 0 | 0 | 0 | 111.1 | ||||
| 461 | E | 29.4 | Very low | 33.5 | Very low | 164 Ų | 164 | 135.1 Ų | 135.1 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | trans | 85.2 | 100.4 | 169.9 | -75.8 | -100.2 | 177.4 | 0 | 0 | 119.2 | ||||
| 462 | S | 31.2 | Very low | 33.8 | Very low | 83 Ų | 83 | 131.2 Ų | 131.2 | 58% | 0.58 | 80% | 0.799 | S | S | * | * | 77.9 | 98.2 | 119.9 | -65 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 463 | K | 29.2 | Very low | 33.9 | Very low | 206 Ų | 206 | 135.6 Ų | 135.6 | 90% | 0.896 | 80% | 0.804 | S | S | * | * | 177.4 | 172.9 | 106.9 | -94.9 | 161.3 | -174.8 | 170.2 | 0 | 114.1 | |||||
| 464 | S | 31.1 | Very low | 33.3 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -134.3 | -171.6 | -156.1 | -31.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 465 | P | 51 | Low | 34.1 | Very low | 121 Ų | 121 | 137 Ų | 137 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | trans | -114.1 | -150.3 | -143 | 36.8 | -11.8 | 0 | 0 | 0 | 110.3 | ||||
| 466 | P | 50.4 | Low | 34.3 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | cis | -134.8 | -149.2 | -1.2 | 47.4 | -27 | 0 | 0 | 0 | 112.1 | ||||
| 467 | S | 29.9 | Very low | 34.8 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 81% | 0.808 | S | S | * | * | cis | -164.5 | 152.6 | 1.4 | 47.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 468 | K | 27.7 | Very low | 34.5 | Very low | 204 Ų | 204 | 135.3 Ų | 135.3 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | trans | -172.4 | 146.4 | 130.6 | -105.7 | 167.8 | -175 | -177.9 | 0 | 112.4 | ||||
| 469 | S | 30.9 | Very low | 34.5 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -125.1 | -171.8 | 178 | -38.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 470 | P | 48.1 | Very low | 35.1 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 68% | 0.675 | 80% | 0.804 | S | S | * | * | cis | -145.3 | 166.5 | 36.9 | 43.5 | -22.7 | 0 | 0 | 0 | 119.2 | ||||
| 471 | E | 30 | Very low | 35 | Very low | 181 Ų | 181 | 139.6 Ų | 139.6 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | 58.7 | 153.4 | 136.6 | -72.1 | 173.7 | 149.1 | 0 | 0 | 123 | ||||
| 472 | S | 32 | Very low | 35 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | cis | -157.5 | -176.4 | -15.9 | 56.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 473 | K | 32.7 | Very low | 34.7 | Very low | 199 Ų | 199 | 141.3 Ų | 141.3 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | trans | -112.3 | 164.2 | -172.3 | -59.7 | 177.5 | 179.7 | 178.3 | 0 | 112.7 | ||||
| 474 | S | 29.5 | Very low | 34.6 | Very low | 124 Ų | 124 | 136.9 Ų | 136.9 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | -139.8 | 152.4 | 160 | -79.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 475 | P | 43.8 | Very low | 35.2 | Very low | 131 Ų | 131 | 137 Ų | 137 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | -128.3 | -167.6 | -167.4 | 42.3 | -24.8 | 0 | 0 | 0 | 114.8 | ||||
| 476 | A | 32.2 | Very low | 34.1 | Very low | 97 Ų | 97 | 138.2 Ų | 138.2 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -139.3 | 143.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 477 | P | 43.9 | Very low | 33.1 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | -134.4 | -176.6 | 165.9 | 38.8 | -22.9 | 0 | 0 | 0 | 114.9 | ||||
| 478 | K | 35.8 | Very low | 32.9 | Very low | 189 Ų | 189 | 141.5 Ų | 141.5 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -136.1 | 142.9 | 178.2 | -62.5 | -179.1 | 177.2 | -178.5 | 0 | 113.1 | ||||
| 479 | T | 29.5 | Very low | 32.9 | Very low | 136 Ų | 136 | 137 Ų | 137 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | trans | 56.7 | 155.8 | 148.3 | 49.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 480 | P | 40.3 | Very low | 32.7 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | cis | -141 | -138.1 | 31.6 | 42.5 | -19.2 | 0 | 0 | 0 | 116.3 | ||||
| 481 | E | 26.5 | Very low | 31.7 | Very low | 177 Ų | 177 | 141.2 Ų | 141.2 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | trans | -106.8 | 160.2 | -150.4 | -48.8 | 169.9 | 78.6 | 0 | 0 | 119.9 | ||||
| 482 | S | 28.7 | Very low | 32.4 | Very low | 97 Ų | 97 | 137.7 Ų | 137.7 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | 121.2 | 138.3 | 119.1 | 77.3 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 483 | K | 25.7 | Very low | 32.2 | Very low | 185 Ų | 185 | 138.8 Ų | 138.8 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | 78.4 | 110.9 | 147.9 | -75.3 | 167.4 | -179.1 | 171.8 | 0 | 124.5 | ||||
| 484 | S | 27.5 | Very low | 32 | Very low | 113 Ų | 113 | 133.8 Ų | 133.8 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | 58.9 | 171.8 | 113.9 | -55.6 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 485 | P | 44.3 | Very low | 32.1 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | cis | -127.9 | -163.6 | 3.9 | 44 | -25.3 | 0 | 0 | 0 | 113.1 | ||||
| 486 | E | 26.3 | Very low | 31.2 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 69% | 0.687 | 78% | 0.777 | S | S | * | * | cis | -120.2 | -137.2 | -0.3 | -56 | -178.9 | 78 | 0 | 0 | 110.2 | ||||
| 487 | K | 30.3 | Very low | 31 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 59% | 0.587 | 77% | 0.769 | S | S | * | * | cis | -160.8 | 168.4 | -6.3 | -133.9 | 171.2 | 175.9 | 54.4 | 0 | 106.3 | ||||
| 488 | E | 26.4 | Very low | 30.1 | Very low | 148 Ų | 148 | 135.1 Ų | 135.1 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | cis | -137.6 | -123.6 | -1.4 | -171 | 90.6 | -87.1 | 0 | 0 | 108.2 | ||||
| 489 | S | 27.2 | Very low | 30.5 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | trans | -159.9 | 143 | -170.8 | 64.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 490 | A | 26.6 | Very low | 30.6 | Very low | 106 Ų | 106 | 132.9 Ų | 132.9 | 88% | 0.876 | 75% | 0.754 | S | S | * | * | trans | -165.7 | 158.8 | 142.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 491 | K | 27.2 | Very low | 29.9 | Very low | 202 Ų | 202 | 133.9 Ų | 133.9 | 88% | 0.878 | 75% | 0.748 | S | S | * | * | trans | -157.2 | 172.1 | 172.3 | -124.6 | -171.5 | 177.5 | 178.3 | 0 | 105.7 | ||||
| 492 | P | 43.5 | Very low | 30.3 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | cis | -148 | 179 | 13.6 | 43.6 | -22.4 | 0 | 0 | 0 | 119.2 | ||||
| 493 | V | 29.4 | Very low | 30.3 | Very low | 134 Ų | 134 | 135.5 Ų | 135.5 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | trans | 71 | 130.8 | 135.4 | 157.3 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 494 | A | 28.6 | Very low | 30.4 | Very low | 93 Ų | 93 | 134.5 Ų | 134.5 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | trans | 65.2 | 160.7 | 150.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 495 | A | 29.8 | Very low | 30.4 | Very low | 92 Ų | 92 | 135.8 Ų | 135.8 | 76% | 0.76 | 73% | 0.731 | S | S | * | * | cis | -173.9 | 169.2 | -29.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 496 | K | 25.3 | Very low | 29.6 | Very low | 180 Ų | 180 | 136.7 Ų | 136.7 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | trans | 68.8 | 159.2 | 167.4 | -86.7 | 174 | 150.5 | -75.2 | 0 | 116.8 | ||||
| 497 | D | 27.9 | Very low | 29.6 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 63% | 0.626 | 73% | 0.726 | S | S | * | * | cis | -143.9 | 178 | 6.7 | -129.1 | -31.4 | 0 | 0 | 0 | 114 | ||||
| 498 | T | 25.2 | Very low | 29.4 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | trans | -123.3 | 170.2 | 170.5 | 64.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 499 | P | 44.7 | Very low | 29.6 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 72% | 0.721 | 74% | 0.741 | S | S | * | * | -159.8 | 158.8 | 92.4 | 40.3 | -20.8 | 0 | 0 | 0 | 118.9 | |||||
| 500 | K | 31.1 | Very low | 30.2 | Very low | 168 Ų | 168 | 138.5 Ų | 138.5 | 73% | 0.73 | 74% | 0.743 | S | S | * | * | trans | 57.4 | 160.9 | 148.3 | -85.3 | -174.9 | 151.1 | -151.5 | 0 | 120.1 | ||||
| 501 | E | 26 | Very low | 30.2 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | cis | -137.8 | -166.8 | 11 | -152.7 | 148.5 | -131 | 0 | 0 | 114.1 | ||||
| 502 | E | 34 | Very low | 30.1 | Very low | 135 Ų | 135 | 136 Ų | 136 | 63% | 0.631 | 73% | 0.728 | S | S | * | * | trans | -77.1 | 174.9 | -163.8 | -52.1 | 175.7 | -176.7 | 0 | 0 | 114.9 | ||||
| 503 | K | 29.4 | Very low | 29.4 | Very low | 173 Ų | 173 | 137.5 Ų | 137.5 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | cis | -164.1 | -177.2 | 34.4 | -140.8 | 175.4 | -161.5 | 85.5 | 0 | 113.6 | ||||
| 504 | K | 28.8 | Very low | 29.2 | Very low | 163 Ų | 163 | 138.1 Ų | 138.1 | 71% | 0.709 | 72% | 0.72 | S | S | * | * | trans | -48.3 | 171.5 | -178.3 | -55.6 | 166 | 122.6 | -153 | 0 | 116.3 | ||||
| 505 | E | 27.2 | Very low | 29.2 | Very low | 141 Ų | 141 | 140.2 Ų | 140.2 | 66% | 0.659 | 71% | 0.714 | S | S | * | * | cis | -165.1 | 143.3 | 27.6 | -150.1 | 132.2 | -134.7 | 0 | 0 | 116 | ||||
| 506 | E | 27.3 | Very low | 29 | Very low | 136 Ų | 136 | 142.7 Ų | 142.7 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | trans | 53 | 100.2 | 137.2 | -157.5 | 158.4 | -169.8 | 0 | 0 | 127.5 | ||||
| 507 | K | 26.3 | Very low | 29 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 72% | 0.722 | 70% | 0.699 | S | S | * | * | 66 | 143.7 | 117.3 | -159.5 | -152.2 | -72.5 | 160.1 | 0 | 124.6 | |||||
| 508 | S | 25.3 | Very low | 28.9 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | trans | 117.1 | 144.9 | 137.5 | -38.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 509 | Q | 30.9 | Very low | 28.9 | Very low | 183 Ų | 183 | 145.5 Ų | 145.5 | 86% | 0.855 | 71% | 0.708 | S | S | * | * | trans | -97 | 162.8 | 162.8 | -59.4 | 170.7 | -21.8 | 0 | 0 | 110.5 | ||||
| 510 | P | 39.6 | Very low | 29 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 80% | 0.799 | 71% | 0.707 | S | S | * | * | -141.4 | 177.1 | 92.1 | 23.9 | -1.1 | 0 | 0 | 0 | 112.7 | |||||
| 511 | A | 26 | Very low | 30 | Very low | 84 Ų | 84 | 142.4 Ų | 142.4 | 69% | 0.694 | 71% | 0.705 | S | S | * | * | cis | 99.7 | 131 | 10.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 512 | K | 25.9 | Very low | 30 | Very low | 172 Ų | 172 | 141.5 Ų | 141.5 | 75% | 0.748 | 71% | 0.71 | S | S | * | * | trans | 67.5 | 162.7 | 174.4 | -76.2 | 156.4 | 152.3 | -73.5 | 0 | 116.4 | ||||
| 513 | E | 28 | Very low | 29.8 | Very low | 140 Ų | 140 | 142.5 Ų | 142.5 | 65% | 0.654 | 71% | 0.712 | S | S | * | * | cis | -143.4 | 150.9 | 5.3 | -128.7 | 128.8 | -134.7 | 0 | 0 | 108.1 | ||||
| 514 | E | 26.2 | Very low | 29.8 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 68% | 0.682 | 71% | 0.709 | S | S | * | * | 50.2 | 134.8 | 83.8 | -108.3 | -170.6 | -78.2 | 0 | 0 | 114.5 | |||||
| 515 | Q | 28.7 | Very low | 29.8 | Very low | 138 Ų | 138 | 142.9 Ų | 142.9 | 65% | 0.645 | 72% | 0.719 | S | S | * | * | cis | -153.9 | 176.1 | 24 | -92.8 | -164.8 | 16.7 | 0 | 0 | 110.3 | ||||
| 516 | K | 24.6 | Very low | 29.8 | Very low | 143 Ų | 143 | 145 Ų | 145 | 62% | 0.622 | 73% | 0.729 | S | S | * | * | cis | 166.6 | 172.1 | -16.4 | -175.8 | -174.2 | 167.2 | -175.6 | 0 | 110 | ||||
| 517 | E | 25.7 | Very low | 29.8 | Very low | 129 Ų | 129 | 148 Ų | 148 | 60% | 0.603 | 74% | 0.74 | S | S | * | * | trans | 74.2 | 153.8 | 166.3 | -50.7 | -152.1 | 152.5 | 0 | 0 | 118.4 | ||||
| 518 | K | 26.5 | Very low | 29.9 | Very low | 171 Ų | 171 | 146.4 Ų | 146.4 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | cis | -160.2 | 165.5 | -19.9 | -111.5 | 171.9 | -170.5 | 149.7 | 0 | 111.9 | ||||
| 519 | E | 24 | Very low | 30.1 | Very low | 179 Ų | 179 | 148.9 Ų | 148.9 | 84% | 0.836 | 74% | 0.735 | S | S | * | * | trans | -76.1 | -169.7 | 176.2 | -64.2 | -175.1 | 114.5 | 0 | 0 | 115.2 | ||||
| 520 | P | 48.1 | Very low | 30.6 | Very low | 107 Ų | 107 | 145.6 Ų | 145.6 | 70% | 0.695 | 73% | 0.73 | S | S | * | * | -135.4 | -132.2 | -55.9 | 40.3 | -20.2 | 0 | 0 | 0 | 110 | |||||
| 521 | P | 50.7 | Low | 29.9 | Very low | 106 Ų | 106 | 148.8 Ų | 148.8 | 69% | 0.688 | 73% | 0.731 | S | S | * | * | cis | -128.5 | -172.7 | -37.1 | 31.5 | -10.4 | 0 | 0 | 0 | 115.2 | ||||
| 522 | V | 26.6 | Very low | 30 | Very low | 131 Ų | 131 | 152.1 Ų | 152.1 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | trans | 135.3 | 137.8 | 135.8 | -176.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 523 | K | 30.5 | Very low | 30.1 | Very low | 157 Ų | 157 | 152.4 Ų | 152.4 | 68% | 0.683 | 73% | 0.733 | S | S | * | * | trans | -48.3 | 178.7 | 165.9 | -74.2 | 157.9 | 151.9 | -85.9 | 0 | 116.5 | ||||
| 524 | E | 29.9 | Very low | 30.2 | Very low | 148 Ų | 148 | 154.5 Ų | 154.5 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | cis | -165.5 | 162.3 | -8.5 | -114 | 156.7 | 169.1 | 0 | 0 | 109.2 | ||||
| 525 | E | 27.6 | Very low | 31 | Very low | 195 Ų | 195 | 152.9 Ų | 152.9 | 91% | 0.911 | 75% | 0.745 | S | S | * | * | 166.9 | 168.6 | 129.5 | -92.6 | -156.4 | 135.7 | 0 | 0 | 113.5 | |||||
| 526 | Q | 27.5 | Very low | 31 | Very low | 186 Ų | 186 | 153.2 Ų | 153.2 | 87% | 0.869 | 75% | 0.747 | S | S | * | * | trans | -136 | 148.8 | -176.7 | -64.6 | 177.9 | -21.4 | 0 | 0 | 112.2 | ||||
| 527 | K | 26.6 | Very low | 31 | Very low | 198 Ų | 198 | 154.4 Ų | 154.4 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | trans | -165.5 | 163.9 | 147.6 | -125.4 | 170.7 | -177.2 | 171.8 | 0 | 115 | ||||
| 528 | Q | 29 | Very low | 31.3 | Very low | 134 Ų | 134 | 154.9 Ų | 154.9 | 63% | 0.626 | 76% | 0.763 | S | S | * | * | trans | -141.2 | -179.5 | -179.2 | 36 | 50.1 | -91.6 | 0 | 0 | 108.7 | ||||
| 529 | E | 29.2 | Very low | 31.4 | Very low | 156 Ų | 156 | 154 Ų | 154 | 73% | 0.729 | 77% | 0.767 | S | S | * | * | cis | -153.5 | -152.1 | 11.2 | -134.9 | 165.7 | -65.7 | 0 | 0 | 105.4 | ||||
| 530 | P | 42.4 | Very low | 31.6 | Very low | 115 Ų | 115 | 154.8 Ų | 154.8 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | cis | -132 | -159.1 | -10.9 | 35.5 | -11.3 | 0 | 0 | 0 | 114.7 | ||||
| 531 | K | 24.8 | Very low | 31.5 | Very low | 190 Ų | 190 | 154.5 Ų | 154.5 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | trans | -84.5 | 158.8 | 175.9 | -50.7 | 167.3 | -177.8 | 170.9 | 0 | 112.6 | ||||
| 532 | E | 28.2 | Very low | 30.4 | Very low | 154 Ų | 154 | 156.9 Ų | 156.9 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | -169.6 | 137.6 | 115.3 | -103.9 | -164.8 | 146.9 | 0 | 0 | 116.4 | |||||
| 533 | K | 28.3 | Very low | 30.5 | Very low | 177 Ų | 177 | 154.2 Ų | 154.2 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | 38.8 | 128.1 | 139.8 | -65.5 | 171.3 | -174.7 | 157.1 | 0 | 124.5 | ||||
| 534 | E | 28.4 | Very low | 30.4 | Very low | 184 Ų | 184 | 156.1 Ų | 156.1 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | -59.3 | 175.1 | 146.5 | -88.1 | -177.3 | -177.6 | 0 | 0 | 113.8 | ||||
| 535 | P | 43.7 | Very low | 30.2 | Very low | 112 Ų | 112 | 156.3 Ų | 156.3 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | cis | -141.9 | 177.1 | 22 | 43.5 | -24.8 | 0 | 0 | 0 | 117.9 | ||||
| 536 | E | 28 | Very low | 30.2 | Very low | 145 Ų | 145 | 152.4 Ų | 152.4 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | 163.6 | 134.9 | 108.2 | -169.5 | 161.8 | -153.7 | 0 | 0 | 114.4 | |||||
| 537 | K | 26.3 | Very low | 30.3 | Very low | 168 Ų | 168 | 151.7 Ų | 151.7 | 73% | 0.73 | 75% | 0.753 | S | S | * | * | trans | 20.9 | 143.2 | 160 | -61.8 | 162.9 | -173.2 | 151.7 | 0 | 122.1 | ||||
| 538 | V | 30.5 | Very low | 30.4 | Very low | 140 Ų | 140 | 151.6 Ų | 151.6 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | -171.1 | 157.5 | 107.9 | 142.5 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 539 | D | 29.5 | Very low | 30.4 | Very low | 152 Ų | 152 | 149 Ų | 149 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | trans | -75.1 | 168.9 | -171 | -66.1 | -90.6 | 0 | 0 | 0 | 117.6 | ||||
| 540 | K | 27.5 | Very low | 30.4 | Very low | 195 Ų | 195 | 149.3 Ų | 149.3 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | trans | -71.9 | 178.3 | 161.9 | -113 | -177.3 | 180 | -177.4 | 0 | 111 | ||||
| 541 | P | 46.1 | Very low | 29.7 | Very low | 102 Ų | 102 | 150.5 Ų | 150.5 | 66% | 0.662 | 75% | 0.749 | S | S | * | * | cis | -140.2 | 178.9 | 2.4 | 36.7 | -15.2 | 0 | 0 | 0 | 117.7 | ||||
| 542 | D | 27.4 | Very low | 29.9 | Very low | 156 Ų | 156 | 149.1 Ų | 149.1 | 83% | 0.834 | 75% | 0.745 | S | S | * | * | trans | 94.2 | 149.2 | 130.9 | -105.9 | -56.1 | 0 | 0 | 0 | 126 | ||||
| 543 | A | 28.3 | Very low | 29.8 | Very low | 74 Ų | 74 | 147.6 Ų | 147.6 | 61% | 0.612 | 75% | 0.746 | S | S | * | * | trans | 74.5 | 123.8 | 153.6 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 544 | K | 29.2 | Very low | 29.9 | Very low | 197 Ų | 197 | 145.2 Ų | 145.2 | 86% | 0.857 | 75% | 0.752 | S | S | * | * | trans | 74 | 152 | 147.4 | -70.2 | 176.7 | -178.9 | 175.4 | 0 | 119.3 | ||||
| 545 | K | 25.9 | Very low | 30 | Very low | 153 Ų | 153 | 146 Ų | 146 | 67% | 0.665 | 75% | 0.753 | S | S | * | * | cis | -171.9 | 163.4 | -26 | -159 | -179.7 | 163.2 | -77.3 | 0 | 107.8 | ||||
| 546 | D | 28.1 | Very low | 30 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 60% | 0.599 | 75% | 0.748 | S | S | * | * | trans | 68.9 | 154.8 | 159.4 | -61.8 | -39 | 0 | 0 | 0 | 118.7 | ||||
| 547 | E | 29.7 | Very low | 30 | Very low | 172 Ų | 172 | 147.1 Ų | 147.1 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | cis | -164.9 | 176.3 | -41.7 | -145.5 | -161.8 | 164.4 | 0 | 0 | 109 | ||||
| 548 | K | 27.1 | Very low | 30 | Very low | 196 Ų | 196 | 145.2 Ų | 145.2 | 85% | 0.852 | 76% | 0.759 | S | S | * | * | trans | 78.9 | 143.7 | 151.2 | -165.5 | -177 | -174.8 | 174.1 | 0 | 119.2 | ||||
| 549 | A | 28.7 | Very low | 30.6 | Very low | 80 Ų | 80 | 144 Ų | 144 | 66% | 0.661 | 75% | 0.754 | S | S | * | * | cis | -177.1 | 148.3 | -35.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 550 | K | 29.3 | Very low | 30.6 | Very low | 162 Ų | 162 | 142.6 Ų | 142.6 | 70% | 0.704 | 76% | 0.757 | S | S | * | * | 155.2 | 133.7 | 124.4 | -94.1 | 173.8 | 155.5 | -80 | 0 | 114.5 | |||||
| 551 | E | 27.7 | Very low | 30.7 | Very low | 139 Ų | 139 | 142.9 Ų | 142.9 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | trans | 61.4 | 150.3 | 140.5 | -71.8 | 145.6 | -172.4 | 0 | 0 | 120.4 | ||||
| 552 | E | 29.6 | Very low | 30.7 | Very low | 161 Ų | 161 | 142.5 Ų | 142.5 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | cis | -148.1 | 143.8 | 10.2 | -142.9 | 164.1 | -166.8 | 0 | 0 | 115.1 | ||||
| 553 | T | 26.3 | Very low | 30.7 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | 29.4 | 126.8 | 155.9 | 54.1 | 0 | 0 | 0 | 0 | 124 | ||||
| 554 | S | 31.2 | Very low | 30.8 | Very low | 128 Ų | 128 | 145.4 Ų | 145.4 | 90% | 0.895 | 76% | 0.759 | S | S | * | * | -174.4 | 163 | 99.9 | 42.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 555 | K | 30.3 | Very low | 30.9 | Very low | 200 Ų | 200 | 143.3 Ų | 143.3 | 87% | 0.87 | 76% | 0.758 | S | S | * | * | trans | -165.2 | 171.7 | -169.2 | -143.6 | -151.7 | 173.2 | -176.7 | 0 | 108.1 | ||||
| 556 | P | 44.3 | Very low | 31.1 | Very low | 96 Ų | 96 | 144.7 Ų | 144.7 | 62% | 0.623 | 76% | 0.764 | S | S | * | * | cis | -122.5 | -178.8 | -24.1 | 39.2 | -24.4 | 0 | 0 | 0 | 113.1 | ||||
| 557 | E | 27.7 | Very low | 31.7 | Very low | 184 Ų | 184 | 145.2 Ų | 145.2 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | -171.8 | 150.6 | 115.6 | -106.5 | 179 | -168.6 | 0 | 0 | 113.6 | |||||
| 558 | T | 24.9 | Very low | 31.8 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | -156.9 | -175.6 | 179.9 | 60.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 559 | P | 44.3 | Very low | 32.6 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | cis | -134.6 | -179.8 | -5.3 | 42.8 | -26.8 | 0 | 0 | 0 | 115 | ||||
| 560 | S | 29.8 | Very low | 32.7 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | 180 | 150.5 | 127 | 36.2 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 561 | K | 28.2 | Very low | 33.3 | Very low | 201 Ų | 201 | 141.4 Ų | 141.4 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | -148.5 | -175.2 | 175.6 | -139.3 | -166 | 164.1 | -171.3 | 0 | 104.6 | ||||
| 562 | P | 45.7 | Very low | 33.5 | Very low | 94 Ų | 94 | 142.6 Ų | 142.6 | 61% | 0.61 | 79% | 0.786 | S | S | * | * | cis | -136.6 | 179.6 | -12.8 | 43.4 | -26.6 | 0 | 0 | 0 | 115.5 | ||||
| 563 | T | 29 | Very low | 33.9 | Very low | 119 Ų | 119 | 141.3 Ų | 141.3 | 73% | 0.73 | 79% | 0.791 | S | S | * | * | trans | 171.7 | 130.3 | 135.2 | 35.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 564 | E | 30.3 | Very low | 34 | Very low | 171 Ų | 171 | 143.4 Ų | 143.4 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | 65.6 | 134 | 68.9 | -64.9 | 179.6 | 152.8 | 0 | 0 | 112.6 | |||||
| 565 | D | 30.4 | Very low | 33.8 | Very low | 153 Ų | 153 | 145.1 Ų | 145.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | cis | -151.2 | 179.6 | 13.5 | -156 | -2.9 | 0 | 0 | 0 | 113.9 | ||||
| 566 | K | 31.3 | Very low | 33.7 | Very low | 183 Ų | 183 | 141.4 Ų | 141.4 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | trans | -108.5 | 166 | 168.9 | -116.6 | 177.1 | -177.5 | 172.8 | 0 | 109.1 | ||||
| 567 | P | 40.7 | Very low | 33.1 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | -152.4 | -162.4 | 54 | 41.7 | -18.6 | 0 | 0 | 0 | 115.8 | |||||
| 568 | A | 31.5 | Very low | 34 | Very low | 90 Ų | 90 | 139.2 Ų | 139.2 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | trans | -131.9 | 160 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 569 | P | 43.2 | Very low | 34.9 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | -154.3 | 175.4 | 79.2 | 40.4 | -20 | 0 | 0 | 0 | 118.2 | |||||
| 570 | K | 29.9 | Very low | 34.2 | Very low | 197 Ų | 197 | 137.3 Ų | 137.3 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | trans | -3.9 | 164.6 | 151.7 | -72.7 | -175.4 | 175.4 | -176 | 0 | 121.6 | ||||
| 571 | P | 43.1 | Very low | 34.2 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | cis | -134.3 | -169.5 | 5.5 | 37.4 | -16.7 | 0 | 0 | 0 | 116.2 | ||||
| 572 | E | 31.6 | Very low | 34.2 | Very low | 165 Ų | 165 | 136.8 Ų | 136.8 | 77% | 0.771 | 77% | 0.769 | S | S | * | * | trans | -70.8 | 166.7 | 169.5 | -54.7 | 176.4 | 156.4 | 0 | 0 | 114 | ||||
| 573 | P | 38.2 | Very low | 33.5 | Very low | 133 Ų | 133 | 141.3 Ų | 141.3 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | -135.9 | -177.4 | 107.8 | 40.4 | -31.5 | 0 | 0 | 0 | 115 | |||||
| 574 | K | 28.7 | Very low | 33.8 | Very low | 167 Ų | 167 | 145.1 Ų | 145.1 | 73% | 0.726 | 79% | 0.789 | S | S | * | * | trans | -98.8 | 172.8 | -166.6 | -60.2 | -178.2 | 175.9 | -177.7 | 0 | 115.9 | ||||
| 575 | E | 27.5 | Very low | 34.4 | Very low | 163 Ų | 163 | 142.7 Ų | 142.7 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | 71.5 | 107.8 | 147.2 | -81.2 | 160.1 | -134.8 | 0 | 0 | 120.2 | ||||
| 576 | S | 28.4 | Very low | 34.4 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | -176.7 | 168 | 110.6 | 39 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 577 | S | 30.9 | Very low | 34.5 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -135.3 | 163.6 | -174.5 | -72.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 578 | P | 46.3 | Very low | 34.7 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | trans | -95.6 | -172.7 | -145.1 | 41.1 | -40.7 | 0 | 0 | 0 | 114 | ||||
| 579 | P | 44.7 | Very low | 34.9 | Very low | 118 Ų | 118 | 141 Ų | 141 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | -154.3 | 164.9 | 91.8 | 41.3 | -23.3 | 0 | 0 | 0 | 118.8 | |||||
| 580 | A | 29.6 | Very low | 35.2 | Very low | 85 Ų | 85 | 140.5 Ų | 140.5 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | trans | 77.2 | 131 | 140.2 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 581 | K | 29.9 | Very low | 35.1 | Very low | 167 Ų | 167 | 140.1 Ų | 140.1 | 73% | 0.726 | 79% | 0.79 | S | S | * | * | trans | 70.7 | 147.6 | 137.6 | -80.2 | 179.3 | 172.3 | -75.6 | 0 | 118.9 | ||||
| 582 | E | 28.2 | Very low | 34.8 | Very low | 146 Ų | 146 | 141.5 Ų | 141.5 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | cis | -161.4 | -165.4 | -12.1 | -152.4 | 142.9 | -136.3 | 0 | 0 | 110.5 | ||||
| 583 | E | 31.1 | Very low | 35.6 | Very low | 190 Ų | 190 | 139.4 Ų | 139.4 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | trans | 79.6 | 142 | 165.3 | -60.7 | -148 | 110.5 | 0 | 0 | 122 | ||||
| 584 | K | 34.6 | Very low | 35.4 | Very low | 199 Ų | 199 | 139.7 Ų | 139.7 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | trans | -165.9 | 119.7 | 170.5 | 178.7 | -172 | 178.8 | -177.6 | 0 | 111.3 | ||||
| 585 | P | 43.3 | Very low | 36.8 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -119.5 | 176.4 | 158.5 | 40.2 | -29.4 | 0 | 0 | 0 | 110.5 | ||||
| 586 | A | 29.4 | Very low | 36.9 | Very low | 99 Ų | 99 | 138.4 Ų | 138.4 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | cis | -142.6 | -177.6 | -1.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 587 | A | 34.7 | Very low | 37.1 | Very low | 89 Ų | 89 | 136.6 Ų | 136.6 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | -118.7 | 176.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 588 | P | 45 | Very low | 37.2 | Very low | 133 Ų | 133 | 140.6 Ų | 140.6 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | -136.9 | 175.9 | 130.3 | 36.8 | -24.6 | 0 | 0 | 0 | 115.6 | ||||
| 589 | K | 35.3 | Very low | 36.4 | Very low | 193 Ų | 193 | 140.1 Ų | 140.1 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | trans | -124 | 167.3 | -175.3 | -122.8 | 177.7 | -175.8 | -177.8 | 0 | 109.3 | ||||
| 590 | P | 48.4 | Very low | 35.9 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 71% | 0.714 | 77% | 0.772 | S | S | * | * | -139.1 | -168.3 | 75.5 | 33.5 | -11.3 | 0 | 0 | 0 | 112.5 | |||||
| 591 | E | 29.3 | Very low | 35.9 | Very low | 189 Ų | 189 | 146.3 Ų | 146.3 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | cis | -152.3 | -167.7 | 23.9 | -151.7 | 154.2 | -144.1 | 0 | 0 | 113.7 | ||||
| 592 | K | 36.3 | Very low | 35.9 | Very low | 151 Ų | 151 | 144.6 Ų | 144.6 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | trans | -133.3 | 173.6 | -168.6 | -130 | -167.4 | -178.6 | 178.4 | 0 | 111.5 | E594 | K592-E594 HydrophobicContact CD-CG 4.32Å; K592-E594 IonicContact NZ-OE1 2.82Å; K592-E594 PolarHBondContact NZ-OE1 3.22Å | ||
| 593 | P | 48.6 | Very low | 37 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | cis | -123.4 | 169.4 | 42.6 | 16.1 | 10.2 | 0 | 0 | 0 | 114.3 | ||||
| 594 | E | 33.8 | Very low | 37 | Very low | 140 Ų | 140 | 141.7 Ų | 141.7 | 65% | 0.654 | 78% | 0.775 | S | S | * | * | cis | 78.8 | 150.6 | 44.3 | -107.9 | -172.2 | -123.9 | 0 | 0 | 116.6 | K592 | K592-E594 HydrophobicContact CD-CG 4.32Å; K592-E594 IonicContact NZ-OE1 2.82Å; K592-E594 PolarHBondContact NZ-OE1 3.22Å | ||
| 595 | P | 57 | Low | 36.7 | Very low | 103 Ų | 103 | 141.1 Ų | 141.1 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | cis | -136.3 | 170 | -16.4 | 41.8 | -26 | 0 | 0 | 0 | 116 | ||||
| 596 | E | 29.6 | Very low | 36.1 | Very low | 199 Ų | 199 | 144.6 Ų | 144.6 | 93% | 0.93 | 78% | 0.778 | S | S | * | * | trans | -179 | 172.8 | 131 | -103.3 | -173.3 | -169.7 | 0 | 0 | 112.7 | ||||
| 597 | A | 33 | Very low | 37.2 | Very low | 84 Ų | 84 | 145.1 Ų | 145.1 | 69% | 0.694 | 77% | 0.773 | S | S | * | * | trans | -148.8 | 157.4 | -132.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 598 | K | 32.5 | Very low | 37.1 | Very low | 201 Ų | 201 | 145.6 Ų | 145.6 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | 68.6 | 162.6 | 162 | -63.3 | 171.9 | -176.6 | 177.2 | 0 | 115.2 | ||||
| 599 | S | 30.8 | Very low | 36.6 | Very low | 107 Ų | 107 | 143.8 Ų | 143.8 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | cis | -170.9 | 161.4 | 0.2 | 25.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 600 | E | 32.8 | Very low | 36.6 | Very low | 153 Ų | 153 | 142.7 Ų | 142.7 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | cis | -173.6 | 173.5 | -18.8 | -159.7 | -174.7 | 102.7 | 0 | 0 | 108.9 | ||||
| 601 | K | 30 | Very low | 35.8 | Very low | 180 Ų | 180 | 145.3 Ų | 145.3 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | trans | 73.3 | 118.3 | 159.9 | -81.3 | -178.9 | 175.7 | 81.6 | 0 | 123.2 | ||||
| 602 | T | 31 | Very low | 35.9 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -73.5 | -176.9 | 145 | 35.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 603 | P | 51.5 | Low | 35.7 | Very low | 99 Ų | 99 | 137.3 Ų | 137.3 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | cis | -150.8 | -174.8 | 27.4 | 46.2 | -24.4 | 0 | 0 | 0 | 120.3 | ||||
| 604 | E | 29.7 | Very low | 34.9 | Very low | 177 Ų | 177 | 139.8 Ų | 139.8 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | 63.3 | 160.7 | 153.5 | -76.3 | 157.2 | 150.4 | 0 | 0 | 119.3 | ||||
| 605 | E | 28.1 | Very low | 34.9 | Very low | 186 Ų | 186 | 137.5 Ų | 137.5 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | cis | -144.6 | -164.7 | 10.9 | -145.8 | -173.9 | 151.6 | 0 | 0 | 113.1 | ||||
| 606 | K | 32.4 | Very low | 33.9 | Very low | 192 Ų | 192 | 138.4 Ų | 138.4 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | trans | -125.8 | -165.1 | 178 | -121.5 | -176.3 | -179.2 | 175.8 | 0 | 108.7 | ||||
| 607 | P | 50.9 | Low | 34.2 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | cis | -136.8 | -165.6 | -2.4 | 43.2 | -23.9 | 0 | 0 | 0 | 115.9 | ||||
| 608 | A | 33.3 | Very low | 34.4 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | 66.2 | 152.7 | 155.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 609 | A | 35.4 | Very low | 34.5 | Very low | 95 Ų | 95 | 133.9 Ų | 133.9 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | cis | -175.5 | -175.6 | -12.1 | 0 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 610 | K | 33.9 | Very low | 34.9 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 74% | 0.739 | 75% | 0.747 | S | S | * | * | cis | -167.7 | 170.5 | 9.9 | -153.1 | -173.1 | 169.3 | -152.1 | 0 | 109.6 | ||||
| 611 | E | 31.7 | Very low | 35.2 | Very low | 164 Ų | 164 | 134 Ų | 134 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | trans | 67.5 | 152.9 | 160.1 | -78.5 | 155.7 | -156.6 | 0 | 0 | 120.3 | ||||
| 612 | G | 31.9 | Very low | 35.3 | Very low | 68 Ų | 68 | 129.7 Ų | 129.7 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | cis | 173.8 | 151.9 | -9.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 613 | A | 32.3 | Very low | 35.5 | Very low | 104 Ų | 104 | 128.2 Ų | 128.2 | 86% | 0.86 | 73% | 0.734 | S | S | * | * | trans | 60.6 | 139.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 614 | K | 30.9 | Very low | 34.7 | Very low | 173 Ų | 173 | 129 Ų | 129 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | cis | 90.9 | 104.7 | -3.7 | -154.2 | -143.7 | 173 | -153.1 | 0 | 121.6 | E616 | K614-E616 WeakPolarHBondContact CE-OE2 3.45Å; K614-E616 IonicContact NZ-OE2 3.59Å; K614-E616 PolarHBondContact NZ-OE2 3.45Å | ||
| 615 | A | 35.4 | Very low | 34.8 | Very low | 91 Ų | 91 | 128 Ų | 128 | 75% | 0.752 | 73% | 0.732 | S | S | * | * | trans | -168.2 | 144.4 | 139.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 616 | E | 35.3 | Very low | 35.1 | Very low | 122 Ų | 122 | 124.1 Ų | 124.1 | 57% | 0.57 | 73% | 0.726 | S | S | * | * | cis | 75.2 | 137.7 | 43.3 | -83.8 | -169.6 | 88 | 0 | 0 | 114.6 | K614 | K614-E616 WeakPolarHBondContact CE-OE2 3.45Å; K614-E616 IonicContact NZ-OE2 3.59Å; K614-E616 PolarHBondContact NZ-OE2 3.45Å | ||
| 617 | K | 35.4 | Very low | 35.2 | Very low | 167 Ų | 167 | 123.7 Ų | 123.7 | 73% | 0.726 | 72% | 0.724 | S | S | * | * | cis | -166.9 | 165.7 | 11.6 | -149.5 | -164.8 | -169.8 | 84.1 | 0 | 113.5 | ||||
| 618 | A | 38 | Very low | 34.5 | Very low | 79 Ų | 79 | 125 Ų | 125 | 65% | 0.653 | 72% | 0.721 | S | S | * | * | trans | 68.4 | 155.8 | 141.7 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 619 | E | 34.5 | Very low | 34.4 | Very low | 144 Ų | 144 | 125.6 Ų | 125.6 | 67% | 0.673 | 72% | 0.715 | S | S | * | * | cis | -159.5 | 158.6 | -16.6 | -115.6 | -161.6 | 150.5 | 0 | 0 | 112.6 | ||||
| 620 | K | 39.5 | Very low | 34.3 | Very low | 162 Ų | 162 | 128.4 Ų | 128.4 | 70% | 0.704 | 71% | 0.709 | S | S | * | * | trans | 41.9 | 148.1 | 145.5 | -72.3 | 176.7 | -179.8 | 136.9 | 0 | 122.4 | ||||
| 621 | S | 38.5 | Very low | 34.3 | Very low | 100 Ų | 100 | 127.3 Ų | 127.3 | 70% | 0.699 | 71% | 0.706 | S | S | * | * | cis | -173 | -151.9 | -14.4 | 52.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 622 | S | 32.6 | Very low | 34.4 | Very low | 89 Ų | 89 | 126.1 Ų | 126.1 | 62% | 0.622 | 70% | 0.701 | S | S | * | * | cis | -173.8 | 152.9 | -0.8 | 23.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 623 | S | 35.2 | Very low | 34.5 | Very low | 100 Ų | 100 | 130.5 Ų | 130.5 | 70% | 0.699 | 70% | 0.701 | S | S | * | * | trans | 51.2 | 147.2 | 141.4 | 67.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 624 | T | 33.3 | Very low | 34.7 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 71% | 0.712 | 70% | 0.697 | S | S | * | * | cis | -168.2 | -166 | -12 | 28.1 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 625 | E | 33.1 | Very low | 35.1 | Very low | 155 Ų | 155 | 131.2 Ų | 131.2 | 72% | 0.724 | 70% | 0.702 | S | S | * | * | cis | -154.3 | 135.9 | 0.4 | -126.2 | 145.2 | 106.9 | 0 | 0 | 105.6 | ||||
| 626 | S | 33.6 | Very low | 35.5 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | 71 | 148.2 | 90.7 | -54.7 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 627 | K | 34.4 | Very low | 37 | Very low | 184 Ų | 184 | 133.5 Ų | 133.5 | 80% | 0.8 | 71% | 0.712 | S | S | * | * | trans | 88.1 | 148.4 | 173.2 | -67.8 | -173.8 | 167.4 | -81.3 | 0 | 118.7 | ||||
| 628 | E | 35.6 | Very low | 37.5 | Very low | 137 Ų | 137 | 130.2 Ų | 130.2 | 64% | 0.64 | 72% | 0.716 | S | S | * | * | cis | -169.8 | 139.7 | -35.4 | -121.9 | 179.6 | 154.6 | 0 | 0 | 111.7 | ||||
| 629 | T | 32.2 | Very low | 37.8 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 69% | 0.693 | 75% | 0.745 | S | S | * | * | trans | 54.5 | 141.6 | 148.4 | 55.8 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 630 | K | 33.8 | Very low | 38 | Very low | 153 Ų | 153 | 139 Ų | 139 | 67% | 0.665 | 75% | 0.748 | S | S | * | * | trans | 88.4 | 130.9 | 136.1 | -92.4 | 179.1 | 172 | -77.6 | 0 | 121.9 | ||||
| 631 | E | 33.1 | Very low | 37.9 | Very low | 147 Ų | 147 | 137.8 Ų | 137.8 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | trans | 49.3 | 148.2 | 130.1 | -68.7 | 161.5 | -167.5 | 0 | 0 | 120.8 | ||||
| 632 | E | 33.9 | Very low | 37.9 | Very low | 140 Ų | 140 | 139.9 Ų | 139.9 | 65% | 0.654 | 75% | 0.753 | S | S | * | * | cis | -155.9 | 168.9 | 5.5 | -136.3 | -157.5 | 148.6 | 0 | 0 | 112.4 | ||||
| 633 | K | 34.1 | Very low | 38.2 | Very low | 159 Ų | 159 | 142.9 Ų | 142.9 | 69% | 0.691 | 76% | 0.761 | S | S | * | * | trans | 37.1 | 127.7 | 152.7 | -78.5 | -173.7 | -171.4 | 99.3 | 0 | 122.8 | ||||
| 634 | A | 36 | Very low | 38.4 | Very low | 96 Ų | 96 | 145.6 Ų | 145.6 | 79% | 0.793 | 77% | 0.765 | S | S | * | * | trans | 70.6 | 160.4 | 135.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 635 | K | 38.7 | Very low | 38.7 | Very low | 196 Ų | 196 | 147.5 Ų | 147.5 | 85% | 0.852 | 77% | 0.768 | S | S | * | * | cis | -155.8 | 147.8 | 14.1 | -151.8 | -168.2 | -177.1 | -177.2 | 0 | 110.7 | ||||
| 636 | N | 45.4 | Very low | 39.1 | Very low | 148 Ų | 148 | 147 Ų | 147 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | -74.6 | 170.6 | 156.8 | -85.9 | 2.3 | 0 | 0 | 0 | 110.2 | ||||
| 637 | P | 65.2 | Low | 39.5 | Very low | 113 Ų | 113 | 150.2 Ų | 150.2 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | cis | -132.8 | -179.9 | 8.5 | 43.5 | -27.7 | 0 | 0 | 0 | 115.6 | ||||
| 638 | A | 47.6 | Very low | 40 | Very low | 98 Ų | 98 | 147.4 Ų | 147.4 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | 34.1 | 124.9 | 141.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 639 | E | 43.8 | Very low | 40.3 | Very low | 269 Ų | 269 | 148.4 Ų | 148.4 | 100% | 1.257 | 78% | 0.784 | S | S | * | * | -130.2 | 0 | 108.1 | -160.9 | 159.3 | -137.3 | 0 | 0 | 108.8 |
Retrieved 639 of 639 residues in 83.5 ms
(Link to these results)