| 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 | 40.4 | Very low | 42.4 | Very low | 237 Ų | 237 | 150.9 Ų | 150.9 | 100% | 1.167 | 87% | 0.873 | S | S | * | * | 0 | 84.2 | 0 | -60.9 | 179.2 | -173.1 | 0 | 0 | 106.8 | |||||
| 2 | S | 37.2 | Very low | 42.3 | Very low | 123 Ų | 123 | 147.7 Ų | 147.7 | 86% | 0.86 | 88% | 0.878 | S | S | * | * | cis | 97.5 | 84.5 | 31.7 | -51.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 3 | A | 43.8 | Very low | 42.2 | Very low | 109 Ų | 109 | 146.8 Ų | 146.8 | 90% | 0.901 | 87% | 0.874 | S | S | * | * | trans | -171.7 | 134.7 | 145.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 4 | S | 37.7 | Very low | 42.1 | Very low | 115 Ų | 115 | 146.7 Ų | 146.7 | 80% | 0.804 | 86% | 0.863 | S | S | * | * | trans | -146.7 | 156.9 | 160.9 | 69 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 5 | L | 50.8 | Low | 42.1 | Very low | 177 Ų | 177 | 149.5 Ų | 149.5 | 93% | 0.927 | 86% | 0.86 | S | S | * | * | trans | -151 | 160.7 | 175.2 | -101 | 169.8 | 0 | 0 | 0 | 111.4 | ||||
| 6 | Y | 41.2 | Very low | 42.3 | Very low | 216 Ų | 216 | 148.6 Ų | 148.6 | 85% | 0.847 | 87% | 0.865 | S | S | * | * | trans | -161 | 163.1 | -154.3 | -138.2 | -87.3 | 0 | 0 | 0 | 113.5 | ||||
| 7 | R | 41.6 | Very low | 42.5 | Very low | 232 Ų | 232 | 145.8 Ų | 145.8 | 88% | 0.875 | 86% | 0.863 | S | S | * | * | trans | 91.2 | 148.4 | 167.4 | -56.8 | 178.1 | 166.2 | -156.7 | -5.4 | 119 | ||||
| 8 | S | 39.6 | Very low | 42.8 | Very low | 109 Ų | 109 | 143.4 Ų | 143.4 | 76% | 0.762 | 86% | 0.855 | S | S | * | * | cis | 111.9 | 161.3 | -0 | -164.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 9 | P | 51.9 | Low | 43.2 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 76% | 0.76 | 86% | 0.856 | S | S | * | * | -148 | -177.7 | -50.8 | 44.5 | -27 | 0 | 0 | 0 | 120.5 | |||||
| 10 | S | 40.5 | Very low | 43.4 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 85% | 0.853 | 86% | 0.861 | S | S | * | * | trans | 120 | 0 | 133.9 | -148 | 0 | 0 | 0 | 0 | 129.8 | ||||
| 11 | A | 41.5 | Very low | 43.7 | Very low | 103 Ų | 103 | 146.6 Ų | 146.6 | 85% | 0.851 | 86% | 0.862 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 132.2 | |||||
| 12 | A | 41.3 | Very low | 44.3 | Very low | 112 Ų | 112 | 147 Ų | 147 | 93% | 0.926 | 85% | 0.851 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 13 | V | 40.9 | Very low | 45 | Very low | 136 Ų | 136 | 147.1 Ų | 147.1 | 82% | 0.824 | 85% | 0.851 | S | S | * | * | 0 | 0 | 0 | 86.2 | 0 | 0 | 0 | 0 | 127.3 | |||||
| 14 | M | 41.2 | Very low | 45.4 | Very low | 146 Ų | 146 | 146.3 Ų | 146.3 | 72% | 0.719 | 85% | 0.854 | S | S | * | * | 0 | 0 | 0 | -67.9 | -171.7 | -161.8 | 0 | 0 | 129.1 | |||||
| 15 | K | 42.6 | Very low | 46 | Very low | 189 Ų | 189 | 145.2 Ų | 145.2 | 82% | 0.822 | 86% | 0.861 | S | S | * | * | 0 | 0 | 0 | -106.7 | 174.3 | -179.2 | 165.8 | 0 | 120.7 | |||||
| 16 | S | 44.3 | Very low | 45.9 | Very low | 134 Ų | 134 | 146.4 Ų | 146.4 | 94% | 0.937 | 86% | 0.859 | S | S | * | * | 0 | 0 | 0 | 63 | 0 | 0 | 0 | 0 | 126.1 | |||||
| 17 | A | 45.8 | Very low | 46.3 | Very low | 101 Ų | 101 | 144.4 Ų | 144.4 | 84% | 0.835 | 86% | 0.857 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 18 | S | 47.3 | Very low | 46.8 | Very low | 103 Ų | 103 | 138.8 Ų | 138.8 | 72% | 0.72 | 85% | 0.854 | S | S | * | * | 0 | 0 | 0 | -75.1 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 19 | M | 50.4 | Low | 47.2 | Very low | 176 Ų | 176 | 145.7 Ų | 145.7 | 87% | 0.867 | 87% | 0.865 | S | S | * | * | 0 | 0 | 0 | -75.9 | 175.3 | -170.3 | 0 | 0 | 120.5 | |||||
| 20 | M | 48.7 | Very low | 46.8 | Very low | 195 Ų | 195 | 143.9 Ų | 143.9 | 96% | 0.961 | 87% | 0.867 | S | S | * | * | 0 | 0 | 0 | -56.9 | -145.7 | 177.8 | 0 | 0 | 125.6 | |||||
| 21 | S | 49.3 | Very low | 47 | Very low | 126 Ų | 126 | 148.9 Ų | 148.9 | 88% | 0.881 | 87% | 0.874 | S | S | * | * | 0 | 0 | 0 | 51.1 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 22 | R | 52.4 | Low | 47 | Very low | 246 Ų | 246 | 147.3 Ų | 147.3 | 93% | 0.928 | 87% | 0.868 | S | S | * | * | 0 | 0 | 0 | -170.3 | -171.5 | -178.4 | -155.5 | 1.6 | 126.6 | |||||
| 23 | S | 52.5 | Low | 47.2 | Very low | 125 Ų | 125 | 145.9 Ų | 145.9 | 87% | 0.874 | 86% | 0.864 | S | S | * | * | 0 | 0 | 0 | -57.7 | 0 | 0 | 0 | 0 | 128.3 | |||||
| 24 | G | 51.3 | Low | 47.4 | Very low | 93 Ų | 93 | 151.6 Ų | 151.6 | 96% | 0.959 | 87% | 0.873 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 128 | |||||
| 25 | G | 50.7 | Low | 47.8 | Very low | 92 Ų | 92 | 148.6 Ų | 148.6 | 95% | 0.948 | 88% | 0.879 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 129 | |||||
| 26 | F | 49.7 | Very low | 48.5 | Very low | 202 Ų | 202 | 144.9 Ų | 144.9 | 89% | 0.886 | 88% | 0.884 | S | S | * | * | 0 | 0 | 0 | -151.3 | -113.6 | 0 | 0 | 0 | 131.1 | |||||
| 27 | E | 48.5 | Very low | 48.8 | Very low | 174 Ų | 174 | 144.6 Ų | 144.6 | 81% | 0.813 | 88% | 0.878 | S | S | * | * | 0 | 0 | 0 | -134.1 | 163.3 | -84.9 | 0 | 0 | 134.2 | |||||
| 28 | S | 52.5 | Low | 49 | Very low | 114 Ų | 114 | 146 Ų | 146 | 80% | 0.797 | 88% | 0.882 | S | S | * | * | 0 | 0 | 0 | 68.5 | 0 | 0 | 0 | 0 | 126.6 | |||||
| 29 | Y | 47 | Very low | 49.4 | Very low | 254 Ų | 254 | 149.6 Ų | 149.6 | 100% | 0.996 | 89% | 0.892 | S | S | * | * | 0 | 0 | 0 | -94.9 | -61.9 | 0 | 0 | 0 | 121.3 | |||||
| 30 | G | 44.8 | Very low | 49.1 | Very low | 79 Ų | 79 | 145.9 Ų | 145.9 | 81% | 0.814 | 88% | 0.884 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 31 | F | 44.1 | Very low | 49.2 | Very low | 226 Ų | 226 | 144.4 Ų | 144.4 | 99% | 0.991 | 88% | 0.878 | S | S | * | * | 0 | 0 | 0 | 151 | -81.9 | 0 | 0 | 0 | 127.9 | |||||
| 32 | G | 42.7 | Very low | 49 | Very low | 70 Ų | 70 | 142.5 Ų | 142.5 | 72% | 0.722 | 87% | 0.87 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 132.2 | |||||
| 33 | G | 45.5 | Very low | 48.9 | Very low | 82 Ų | 82 | 137.6 Ų | 137.6 | 85% | 0.845 | 86% | 0.862 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 133.4 | |||||
| 34 | Y | 44.7 | Very low | 48.7 | Very low | 257 Ų | 257 | 138.6 Ų | 138.6 | 100% | 1.008 | 86% | 0.857 | S | S | * | * | 0 | 0 | 0 | -67.8 | -76.9 | 0 | 0 | 0 | 137.2 | |||||
| 35 | G | 49.7 | Very low | 48.8 | Very low | 82 Ų | 82 | 137.4 Ų | 137.4 | 85% | 0.845 | 85% | 0.845 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 126.5 | |||||
| 36 | A | 56.5 | Low | 49 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 93% | 0.926 | 83% | 0.828 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 127.1 | |||||
| 37 | P | 50.9 | Low | 49.2 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | 0 | 0 | 0 | 45.9 | -25.6 | 0 | 0 | 0 | 128.4 | |||||
| 38 | S | 49.7 | Very low | 49.7 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | 0 | 0 | 0 | 70.7 | 0 | 0 | 0 | 0 | 130.1 | |||||
| 39 | L | 55.8 | Low | 50 | Low | 179 Ų | 179 | 132.2 Ų | 132.2 | 94% | 0.937 | 79% | 0.794 | S | S | * | * | 0 | -156.5 | 0 | -147.7 | 95.5 | 0 | 0 | 0 | 119.9 | |||||
| 40 | S | 44.8 | Very low | 50.4 | Low | 99 Ų | 99 | 125.1 Ų | 125.1 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | trans | -162.6 | -172.1 | -175.6 | 64.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 41 | I | 49.2 | Very low | 51 | Low | 163 Ų | 163 | 125.8 Ų | 125.8 | 84% | 0.836 | 76% | 0.755 | S | S | * | * | cis | -168.8 | 172.5 | 9.2 | -160.6 | 165.3 | 0 | 0 | 0 | 115.7 | ||||
| 42 | A | 46.8 | Very low | 51.9 | Low | 87 Ų | 87 | 120.3 Ų | 120.3 | 72% | 0.719 | 74% | 0.736 | S | S | * | * | trans | 82.1 | 156.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 43 | D | 49.6 | Very low | 52.8 | Low | 142 Ų | 142 | 124 Ų | 124 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | trans | 55.2 | 96.6 | 177.1 | -74.1 | -15.6 | 0 | 0 | 0 | 121.5 | G45 | D43-G45 PolarHBondContact O-N 3.32Š| ||
| 44 | L | 47.9 | Very low | 53.4 | Low | 146 Ų | 146 | 124.3 Ų | 124.3 | 76% | 0.764 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -2.4 | -173.6 | -88.1 | 76.5 | 0 | 0 | 0 | 117.5 | L47 | L44-L47 HydrophobicContact CG-CD2 4.47Š|
| 45 | G | 54.1 | Low | 54.5 | Low | 69 Ų | 69 | 119.9 Ų | 119.9 | 71% | 0.711 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -37.9 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | D43 | D43-G45 PolarHBondContact O-N 3.32Š|
| 46 | S | 55.5 | Low | 55.3 | Low | 86 Ų | 86 | 121.6 Ų | 121.6 | 60% | 0.601 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -8 | -178.8 | 47.8 | 0 | 0 | 0 | 0 | 113.7 | ||
| 47 | L | 53.4 | Low | 55.5 | Low | 77 Ų | 77 | 121.2 Ų | 121.2 | 40% | 0.403 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -60.4 | -50.5 | -172 | -145.5 | 69.1 | 0 | 0 | 0 | 111.7 | L44 R49 L50 E51 | L44-L47 HydrophobicContact CG-CD2 4.47Å; L47-R49 PolarHBondContact O-N 3.3Å; L47-R49 VanDerWaalsContact O-N 3.16Å; L47-L50 CarbonylContact O-C 3.55Å; L47-L50 WeakPolarHBondContact O-CA 3.45Å; L47-L50 WeakPolarHBondContact O-CB 3.39Å; L47-L50 PolarHBondContact O-N 3.4Å; L47-E51 WeakPolarHBondContact CD2-OE1 3.47Å; L47-E51 HydrophobicContact CG-CG 4.07Å; L47-E51 WeakPolarHBondContact O-CG 3.42Å; L47-E51 PolarHBondContact O-N 2.76Å |
| 48 | T | 59 | Low | 56.1 | Low | 88 Ų | 88 | 120 Ų | 120 | 54% | 0.54 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -54.9 | -38.6 | -171.4 | 51.6 | 0 | 0 | 0 | 0 | 115.7 | E51 D52 | T48-E51 WeakPolarHBondContact CA-OE2 3.49Å; T48-E51 PolarHBondContact N-OE2 3.14Å; T48-D52 PolarHBondContact O-N 3.44Å |
| 49 | R | 57.9 | Low | 57 | Low | 222 Ų | 222 | 118.3 Ų | 118.3 | 84% | 0.838 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -79.7 | -17.3 | 177 | -80.9 | -174.3 | 172.8 | 174.8 | -1.1 | 114.3 | L47 | L47-R49 PolarHBondContact O-N 3.3Å; L47-R49 VanDerWaalsContact O-N 3.16Å |
| 50 | L | 56 | Low | 57.7 | Low | 105 Ų | 105 | 114.9 Ų | 114.9 | 55% | 0.55 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -87.3 | -37.1 | 170.1 | -70.5 | 169.3 | 0 | 0 | 0 | 110.5 | L47 K53 I54 | L47-L50 CarbonylContact O-C 3.55Å; L47-L50 WeakPolarHBondContact O-CA 3.45Å; L47-L50 WeakPolarHBondContact O-CB 3.39Å; L47-L50 PolarHBondContact O-N 3.4Å; L50-K53 PolarHBondContact O-N 3.5Å; L50-I54 HydrophobicContact CB-CD1 4.42Å; L50-I54 WeakPolarHBondContact O-CB 3.21Å; L50-I54 VanDerWaalsContact O-CG1 3.23Å; L50-I54 WeakPolarHBondContact O-CG1 3.16Å; L50-I54 PolarHBondContact O-N 2.96Å |
| 51 | E | 57.6 | Low | 58.5 | Low | 93 Ų | 93 | 113.8 Ų | 113.8 | 44% | 0.435 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -55.8 | -50.6 | 175.7 | -73.7 | 170.9 | 136.9 | 0 | 0 | 111.9 | L47 T48 K53 I54 R55 | L47-E51 WeakPolarHBondContact CD2-OE1 3.47Å; L47-E51 HydrophobicContact CG-CG 4.07Å; L47-E51 WeakPolarHBondContact O-CG 3.42Å; L47-E51 PolarHBondContact O-N 2.76Å; T48-E51 WeakPolarHBondContact CA-OE2 3.49Å; T48-E51 PolarHBondContact N-OE2 3.14Å; E51-K53 VanDerWaalsContact C-N 3.3Å; E51-K53 PolarHBondContact O-N 3.15Å; E51-I54 PolarHBondContact O-N 3.41Å; E51-R55 WeakPolarHBondContact O-CB 3.44Å; E51-R55 PolarHBondContact O-N 2.77Å |
| 52 | D | 63.2 | Low | 59.4 | Low | 111 Ų | 111 | 111.8 Ų | 111.8 | 59% | 0.594 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -59.9 | -36.7 | 177.6 | -81.1 | -23.5 | 0 | 0 | 0 | 113.2 | T48 R55 L56 | T48-D52 PolarHBondContact O-N 3.44Å; D52-R55 PolarHBondContact O-N 3.15Å; D52-L56 PolarHBondContact O-N 2.92Å |
| 53 | K | 60.7 | Low | 60.6 | Low | 146 Ų | 146 | 111.7 Ų | 111.7 | 64% | 0.635 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -79.4 | -32 | 178.9 | -172.7 | 164.9 | -177.4 | 173.2 | 0 | 112.7 | L50 E51 R55 L57 | L50-K53 PolarHBondContact O-N 3.5Å; E51-K53 VanDerWaalsContact C-N 3.3Å; E51-K53 PolarHBondContact O-N 3.15Å; K53-R55 VanDerWaalsContact C-N 3.28Å; K53-L57 HydrophobicContact CG-CD1 4.43Å; K53-L57 WeakPolarHBondContact O-CG 3.23Å; K53-L57 PolarHBondContact O-N 2.95Å |
| 54 | I | 58.5 | Low | 61.3 | Low | 89 Ų | 89 | 109.2 Ų | 109.2 | 46% | 0.456 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63 | -39.8 | 168.9 | -74.5 | 164.8 | 0 | 0 | 0 | 109.4 | L50 E51 L57 Q58 | L50-I54 HydrophobicContact CB-CD1 4.42Å; L50-I54 WeakPolarHBondContact O-CB 3.21Å; L50-I54 VanDerWaalsContact O-CG1 3.23Å; L50-I54 WeakPolarHBondContact O-CG1 3.16Å; L50-I54 PolarHBondContact O-N 2.96Å; E51-I54 PolarHBondContact O-N 3.41Å; I54-L57 CarbonylContact O-C 3.5Å; I54-L57 PolarHBondContact O-N 3.28Å; I54-Q58 HydrophobicContact CG2-CG 4.25Å; I54-Q58 VanDerWaalsContact O-CG 3.28Å; I54-Q58 WeakPolarHBondContact O-CG 3.44Å; I54-Q58 PolarHBondContact O-N 3.03Å |
| 55 | R | 67.9 | Low | 62.6 | Low | 164 Ų | 164 | 108.8 Ų | 108.8 | 62% | 0.619 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.1 | -47.1 | -177.9 | -156.7 | 173.2 | -173.1 | 178.9 | 1.8 | 113.3 | E51 D52 K53 L57 Q58 D59 | E51-R55 WeakPolarHBondContact O-CB 3.44Å; E51-R55 PolarHBondContact O-N 2.77Å; D52-R55 PolarHBondContact O-N 3.15Å; K53-R55 VanDerWaalsContact C-N 3.28Å; R55-L57 VanDerWaalsContact C-N 3.29Å; R55-L57 PolarHBondContact O-N 2.85Å; R55-Q58 WeakPolarHBondContact O-CB 3.37Å; R55-Q58 PolarHBondContact O-N 3.02Å; R55-D59 PolarHBondContact O-N 2.96Å |
| 56 | L | 65.9 | Low | 63.6 | Low | 119 Ų | 119 | 111.9 Ų | 111.9 | 62% | 0.623 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.1 | -37.5 | 173.1 | -82.2 | 163.7 | 0 | 0 | 0 | 112.6 | D52 Q58 D59 D60 | D52-L56 PolarHBondContact O-N 2.92Å; L56-Q58 VanDerWaalsContact C-N 3.29Å; L56-Q58 PolarHBondContact O-N 3.18Å; L56-D59 PolarHBondContact O-N 2.78Å; L56-D60 PolarHBondContact O-N 3.08Å; L56-D60 VanDerWaalsContact O-N 3.14Å |
| 57 | L | 61.9 | Low | 64.5 | Low | 103 Ų | 103 | 113 Ų | 113 | 54% | 0.539 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -74.5 | -17.2 | 174.9 | -69.9 | 171.2 | 0 | 0 | 0 | 113.5 | K53 I54 R55 L61 | K53-L57 HydrophobicContact CG-CD1 4.43Å; K53-L57 WeakPolarHBondContact O-CG 3.23Å; K53-L57 PolarHBondContact O-N 2.95Å; I54-L57 CarbonylContact O-C 3.5Å; I54-L57 PolarHBondContact O-N 3.28Å; R55-L57 VanDerWaalsContact C-N 3.29Å; R55-L57 PolarHBondContact O-N 2.85Å; L57-L61 WeakPolarHBondContact O-CB 3.31Å; L57-L61 PolarHBondContact O-N 2.83Å |
| 58 | Q | 63.8 | Low | 65.4 | Low | 103 Ų | 103 | 116.3 Ų | 116.3 | 48% | 0.481 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -77.7 | -46 | 170.5 | -77.4 | 167.1 | -30 | 0 | 0 | 110.4 | I54 R55 L56 D60 L61 E62 | I54-Q58 HydrophobicContact CG2-CG 4.25Å; I54-Q58 VanDerWaalsContact O-CG 3.28Å; I54-Q58 WeakPolarHBondContact O-CG 3.44Å; I54-Q58 PolarHBondContact O-N 3.03Å; R55-Q58 WeakPolarHBondContact O-CB 3.37Å; R55-Q58 PolarHBondContact O-N 3.02Å; L56-Q58 VanDerWaalsContact C-N 3.29Å; L56-Q58 PolarHBondContact O-N 3.18Å; Q58-D60 PolarHBondContact O-N 2.8Å; Q58-L61 PolarHBondContact O-N 2.89Å; Q58-E62 WeakPolarHBondContact O-CG 3.33Å; Q58-E62 PolarHBondContact O-N 3.4Å |
| 59 | D | 68.3 | Low | 66.1 | Low | 94 Ų | 94 | 115.9 Ų | 115.9 | 50% | 0.503 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -57.8 | -49.4 | 175.6 | -68.8 | -0 | 0 | 0 | 0 | 111.1 | R55 L56 L61 E62 T63 | R55-D59 PolarHBondContact O-N 2.96Å; L56-D59 PolarHBondContact O-N 2.78Å; D59-L61 VanDerWaalsContact C-N 3.34Å; D59-L61 PolarHBondContact O-N 3.3Å; D59-E62 PolarHBondContact O-N 3.45Å; D59-T63 PolarHBondContact O-N 3.48Å |
| 60 | D | 69.2 | Low | 67 | Low | 107 Ų | 107 | 112.9 Ų | 112.9 | 57% | 0.572 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -56.2 | -46.1 | 175.1 | -81.8 | -21.7 | 0 | 0 | 0 | 111.7 | L56 Q58 E62 T63 E64 | L56-D60 PolarHBondContact O-N 3.08Å; L56-D60 VanDerWaalsContact O-N 3.14Å; Q58-D60 PolarHBondContact O-N 2.8Å; D60-E62 VanDerWaalsContact C-N 3.34Å; D60-E62 PolarHBondContact O-N 3.14Å; D60-T63 PolarHBondContact O-N 3.47Å; D60-T63 PolarHBondContact O-OG1 3.21Å; D60-E64 PolarHBondContact O-N 3.49Å; D60-E64 VanDerWaalsContact O-N 3.17Å |
| 61 | L | 62.5 | Low | 67.9 | Low | 76 Ų | 76 | 113 Ų | 113 | 40% | 0.398 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.9 | -32.7 | -179.4 | -179.2 | 66.3 | 0 | 0 | 0 | 112.9 | L57 Q58 D59 R65 | L57-L61 WeakPolarHBondContact O-CB 3.31Å; L57-L61 PolarHBondContact O-N 2.83Å; Q58-L61 PolarHBondContact O-N 2.89Å; D59-L61 VanDerWaalsContact C-N 3.34Å; D59-L61 PolarHBondContact O-N 3.3Å; L61-R65 WeakPolarHBondContact O-CD 3.45Å; L61-R65 VanDerWaalsContact O-CG 3.24Å; L61-R65 WeakPolarHBondContact O-CG 3.45Å; L61-R65 PolarHBondContact O-N 2.74Å |
| 62 | E | 67.1 | Low | 68.6 | Low | 120 Ų | 120 | 114.7 Ų | 114.7 | 56% | 0.561 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -70.3 | -37.2 | 175 | -72 | -170.4 | 168.3 | 0 | 0 | 111.5 | Q58 D59 D60 R65 E66 | Q58-E62 WeakPolarHBondContact O-CG 3.33Å; Q58-E62 PolarHBondContact O-N 3.4Å; D59-E62 PolarHBondContact O-N 3.45Å; D60-E62 VanDerWaalsContact C-N 3.34Å; D60-E62 PolarHBondContact O-N 3.14Å; E62-R65 WeakPolarHBondContact O-CB 3.38Å; E62-R65 PolarHBondContact O-N 3.39Å; E62-E66 PolarHBondContact O-N 2.78Å; E62-E66 VanDerWaalsContact O-N 3.1Å |
| 63 | T | 71.9 | Confident | 69.2 | Low | 86 Ų | 86 | 117.4 Ų | 117.4 | 53% | 0.528 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.1 | -37.8 | 173.8 | 69.9 | 0 | 0 | 0 | 0 | 113.4 | D59 D60 R65 E66 L67 | D59-T63 PolarHBondContact O-N 3.48Å; D60-T63 PolarHBondContact O-N 3.47Å; D60-T63 PolarHBondContact O-OG1 3.21Å; T63-R65 VanDerWaalsContact C-N 3.31Å; T63-R65 PolarHBondContact O-N 3.24Å; T63-E66 PolarHBondContact O-N 2.72Å; T63-L67 PolarHBondContact O-N 3.31Å |
| 64 | E | 64.6 | Low | 69.9 | Low | 89 Ų | 89 | 116.4 Ų | 116.4 | 42% | 0.416 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.8 | -37.6 | 175.3 | -157.1 | -147.2 | 142 | 0 | 0 | 111.4 | D60 L67 R68 | D60-E64 PolarHBondContact O-N 3.49Å; D60-E64 VanDerWaalsContact O-N 3.17Å; E64-L67 PolarHBondContact O-N 3.08Å; E64-R68 PolarHBondContact O-N 3.49Å; E64-R68 VanDerWaalsContact O-N 3.09Å; E64-R68 IonicContact OE1-CZ 3.95Å; E64-R68 IonicContact OE1-NE 2.77Å; E64-R68 PolarHBondContact OE1-NE 3.49Å; E64-R68 IonicContact OE1-NH2 3.25Å; E64-R68 PolarHBondContact OE1-NH2 3.17Å |
| 65 | R | 75.7 | Confident | 70.8 | Confident | 138 Ų | 138 | 121.4 Ų | 121.4 | 52% | 0.521 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.7 | -40.1 | 177 | -74.8 | 166.5 | 171.3 | -179.2 | -2.3 | 112.4 | L61 E62 T63 L67 N69 | L61-R65 WeakPolarHBondContact O-CD 3.45Å; L61-R65 VanDerWaalsContact O-CG 3.24Å; L61-R65 WeakPolarHBondContact O-CG 3.45Å; L61-R65 PolarHBondContact O-N 2.74Å; E62-R65 WeakPolarHBondContact O-CB 3.38Å; E62-R65 PolarHBondContact O-N 3.39Å; T63-R65 VanDerWaalsContact C-N 3.31Å; T63-R65 PolarHBondContact O-N 3.24Å; R65-L67 VanDerWaalsContact C-N 3.34Å; R65-N69 WeakPolarHBondContact O-CB 3.5Å; R65-N69 PolarHBondContact O-N 3.43Å; R65-N69 VanDerWaalsContact O-N 3.13Å; R65-N69 PolarHBondContact O-ND2 3.16Å |
| 66 | E | 74.7 | Confident | 71.2 | Confident | 133 Ų | 133 | 116 Ų | 116 | 62% | 0.621 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.8 | -40.4 | 175.2 | -70.5 | -147.7 | 141.1 | 0 | 0 | 112.5 | E62 T63 N69 R70 | E62-E66 PolarHBondContact O-N 2.78Å; E62-E66 VanDerWaalsContact O-N 3.1Å; T63-E66 PolarHBondContact O-N 2.72Å; E66-N69 PolarHBondContact O-N 3.02Å; E66-R70 PolarHBondContact O-N 2.77Å |
| 67 | L | 74.1 | Confident | 71.7 | Confident | 109 Ų | 109 | 115.3 Ų | 115.3 | 57% | 0.571 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.8 | -44.4 | 179.1 | -72.7 | 171.1 | 0 | 0 | 0 | 112.2 | T63 E64 R65 N69 R70 I71 | T63-L67 PolarHBondContact O-N 3.31Å; E64-L67 PolarHBondContact O-N 3.08Å; R65-L67 VanDerWaalsContact C-N 3.34Å; L67-N69 VanDerWaalsContact C-N 3.32Å; L67-N69 PolarHBondContact O-N 2.99Å; L67-R70 PolarHBondContact O-N 3.14Å; L67-R70 VanDerWaalsContact O-N 3.14Å; L67-I71 PolarHBondContact O-N 3.45Å |
| 68 | R | 72.8 | Confident | 72.4 | Confident | 147 Ų | 147 | 115.5 Ų | 115.5 | 56% | 0.555 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -58 | -44.4 | 173.8 | -71.3 | -173.1 | -175.1 | -137.4 | 5.1 | 112.1 | E64 R70 I71 E72 | E64-R68 PolarHBondContact O-N 3.49Å; E64-R68 VanDerWaalsContact O-N 3.09Å; E64-R68 IonicContact OE1-CZ 3.95Å; E64-R68 IonicContact OE1-NE 2.77Å; E64-R68 PolarHBondContact OE1-NE 3.49Å; E64-R68 IonicContact OE1-NH2 3.25Å; E64-R68 PolarHBondContact OE1-NH2 3.17Å; R68-R70 PolarHBondContact O-N 2.95Å; R68-R70 VanDerWaalsContact O-N 3.15Å; R68-I71 PolarHBondContact O-N 3.22Å; R68-I71 VanDerWaalsContact O-N 3.14Å; R68-E72 PolarHBondContact O-N 3.33Å |
| 69 | N | 74.6 | Confident | 73.1 | Confident | 79 Ų | 79 | 113.8 Ų | 113.8 | 42% | 0.422 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.9 | -17.8 | 178.5 | -80.4 | -44.7 | 0 | 0 | 0 | 114.2 | R65 E66 L67 R73 | R65-N69 WeakPolarHBondContact O-CB 3.5Å; R65-N69 PolarHBondContact O-N 3.43Å; R65-N69 VanDerWaalsContact O-N 3.13Å; R65-N69 PolarHBondContact O-ND2 3.16Å; E66-N69 PolarHBondContact O-N 3.02Å; L67-N69 VanDerWaalsContact C-N 3.32Å; L67-N69 PolarHBondContact O-N 2.99Å; N69-R73 VanDerWaalsContact O-CD 3.32Å; N69-R73 WeakPolarHBondContact O-CD 3.3Å; N69-R73 WeakPolarHBondContact O-CG 3.3Å; N69-R73 PolarHBondContact O-NE 2.72Å |
| 70 | R | 76.5 | Confident | 73.5 | Confident | 160 Ų | 160 | 113.2 Ų | 113.2 | 60% | 0.604 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -83.4 | -48.9 | 169 | -66.3 | -171.8 | -172.4 | -160.9 | 4.1 | 111.6 | E66 L67 R68 E72 R73 E74 | E66-R70 PolarHBondContact O-N 2.77Å; L67-R70 PolarHBondContact O-N 3.14Å; L67-R70 VanDerWaalsContact O-N 3.14Å; R68-R70 PolarHBondContact O-N 2.95Å; R68-R70 VanDerWaalsContact O-N 3.15Å; R70-E72 VanDerWaalsContact C-N 3.28Å; R70-E72 PolarHBondContact O-N 2.87Å; R70-R73 WeakPolarHBondContact O-CB 3.46Å; R70-R73 PolarHBondContact O-N 3.08Å; R70-E74 PolarHBondContact O-N 3.31Å |
| 71 | I | 74 | Confident | 73.9 | Confident | 108 Ų | 108 | 113.6 Ų | 113.6 | 55% | 0.554 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.9 | -38.2 | -178.2 | -64.6 | 169.2 | 0 | 0 | 0 | 111.4 | L67 R68 R73 R75 | L67-I71 PolarHBondContact O-N 3.45Å; R68-I71 PolarHBondContact O-N 3.22Å; R68-I71 VanDerWaalsContact O-N 3.14Å; I71-R73 VanDerWaalsContact C-N 3.32Å; I71-R73 PolarHBondContact O-N 2.71Å; I71-R75 VanDerWaalsContact O-CB 3.27Å; I71-R75 WeakPolarHBondContact O-CB 3.07Å; I71-R75 PolarHBondContact O-N 2.66Å |
| 72 | E | 72.2 | Confident | 74.5 | Confident | 128 Ų | 128 | 115.6 Ų | 115.6 | 60% | 0.598 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -67.8 | -29.2 | 176.6 | -70.9 | -175.1 | 169.7 | 0 | 0 | 113.3 | R68 R70 A76 | R68-E72 PolarHBondContact O-N 3.33Å; R70-E72 VanDerWaalsContact C-N 3.28Å; R70-E72 PolarHBondContact O-N 2.87Å; E72-A76 PolarHBondContact O-N 3.3Å; E72-A76 VanDerWaalsContact O-N 3.15Å |
| 73 | R | 76.7 | Confident | 75 | Confident | 167 Ų | 167 | 114.3 Ų | 114.3 | 63% | 0.63 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -74.8 | -48.6 | 174.6 | -68.4 | 172.6 | -174.1 | 150.4 | 5.3 | 111.8 | N69 R70 I71 R75 A76 D77 | N69-R73 VanDerWaalsContact O-CD 3.32Å; N69-R73 WeakPolarHBondContact O-CD 3.3Å; N69-R73 WeakPolarHBondContact O-CG 3.3Å; N69-R73 PolarHBondContact O-NE 2.72Å; R70-R73 WeakPolarHBondContact O-CB 3.46Å; R70-R73 PolarHBondContact O-N 3.08Å; I71-R73 VanDerWaalsContact C-N 3.32Å; I71-R73 PolarHBondContact O-N 2.71Å; R73-R75 PolarHBondContact O-N 2.96Å; R73-A76 WeakPolarHBondContact O-CA 3.49Å; R73-A76 WeakPolarHBondContact O-CB 3.37Å; R73-A76 PolarHBondContact O-N 3.04Å; R73-D77 PolarHBondContact O-N 3.42Å |
| 74 | E | 74.4 | Confident | 75.3 | Confident | 126 Ų | 126 | 114.6 Ų | 114.6 | 59% | 0.589 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -58.5 | -38 | 176.5 | -68.5 | 177 | 173.8 | 0 | 0 | 111.4 | R70 L78 | R70-E74 PolarHBondContact O-N 3.31Å; E74-L78 WeakPolarHBondContact O-CG 3.41Å; E74-L78 PolarHBondContact O-N 3.32Å; E74-L78 VanDerWaalsContact O-N 3.12Å |
| 75 | R | 77.4 | Confident | 75.9 | Confident | 194 Ų | 194 | 115.8 Ų | 115.8 | 73% | 0.732 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.2 | -34.2 | 174.1 | -172.6 | 177.7 | 176 | -148.2 | -4.3 | 113.1 | I71 R73 S79 | I71-R75 VanDerWaalsContact O-CB 3.27Å; I71-R75 WeakPolarHBondContact O-CB 3.07Å; I71-R75 PolarHBondContact O-N 2.66Å; R73-R75 PolarHBondContact O-N 2.96Å; R75-S79 PolarHBondContact O-N 2.87Å |
| 76 | A | 75.8 | Confident | 75.9 | Confident | 51 Ų | 51 | 112.7 Ų | 112.7 | 42% | 0.421 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -68.6 | -46.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E72 R73 L78 S79 V80 | E72-A76 PolarHBondContact O-N 3.3Å; E72-A76 VanDerWaalsContact O-N 3.15Å; R73-A76 WeakPolarHBondContact O-CA 3.49Å; R73-A76 WeakPolarHBondContact O-CB 3.37Å; R73-A76 PolarHBondContact O-N 3.04Å; A76-L78 VanDerWaalsContact C-N 3.35Å; A76-L78 PolarHBondContact O-N 3.26Å; A76-S79 WeakPolarHBondContact O-CB 3.37Å; A76-S79 PolarHBondContact O-N 3.24Å; A76-V80 PolarHBondContact O-N 3.17Å; A76-V80 VanDerWaalsContact O-N 3.09Å |
| 77 | D | 76.5 | Confident | 76.1 | Confident | 103 Ų | 103 | 110.3 Ų | 110.3 | 55% | 0.551 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.6 | -41.6 | 178.5 | -74.2 | -23.6 | 0 | 0 | 0 | 112.1 | R73 S79 V80 Q81 | R73-D77 PolarHBondContact O-N 3.42Å; D77-S79 VanDerWaalsContact C-N 3.31Å; D77-S79 PolarHBondContact O-N 2.99Å; D77-V80 PolarHBondContact O-N 2.88Å; D77-Q81 WeakPolarHBondContact O-CG 3.46Å; D77-Q81 PolarHBondContact O-N 3.2Å |
| 78 | L | 76.9 | Confident | 76.2 | Confident | 108 Ų | 108 | 113.5 Ų | 113.5 | 57% | 0.565 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.5 | -34.9 | 174 | -73.5 | 171.2 | 0 | 0 | 0 | 112.7 | E74 A76 V80 Q81 L82 | E74-L78 WeakPolarHBondContact O-CG 3.41Å; E74-L78 PolarHBondContact O-N 3.32Å; E74-L78 VanDerWaalsContact O-N 3.12Å; A76-L78 VanDerWaalsContact C-N 3.35Å; A76-L78 PolarHBondContact O-N 3.26Å; L78-V80 VanDerWaalsContact C-N 3.35Å; L78-Q81 PolarHBondContact O-N 2.85Å; L78-L82 PolarHBondContact O-N 2.74Å; L78-L82 VanDerWaalsContact O-N 3.15Å |
| 79 | S | 78.7 | Confident | 76.4 | Confident | 67 Ų | 67 | 111.6 Ų | 111.6 | 47% | 0.469 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.3 | -33.8 | 176.1 | -163.2 | 0 | 0 | 0 | 0 | 112.4 | R75 A76 D77 I83 | R75-S79 PolarHBondContact O-N 2.87Å; A76-S79 WeakPolarHBondContact O-CB 3.37Å; A76-S79 PolarHBondContact O-N 3.24Å; D77-S79 VanDerWaalsContact C-N 3.31Å; D77-S79 PolarHBondContact O-N 2.99Å; S79-I83 PolarHBondContact O-N 3.25Å |
| 80 | V | 77.7 | Confident | 76.5 | Confident | 81 Ų | 81 | 114.3 Ų | 114.3 | 49% | 0.491 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -71.6 | -36.6 | 174.9 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | A76 D77 L78 L82 I83 N84 | A76-V80 PolarHBondContact O-N 3.17Å; A76-V80 VanDerWaalsContact O-N 3.09Å; D77-V80 PolarHBondContact O-N 2.88Å; L78-V80 VanDerWaalsContact C-N 3.35Å; V80-L82 VanDerWaalsContact C-N 3.34Å; V80-L82 PolarHBondContact O-N 3.32Å; V80-I83 PolarHBondContact O-N 2.97Å; V80-N84 PolarHBondContact O-N 2.85Å; V80-N84 PolarHBondContact O-ND2 2.72Å |
| 81 | Q | 77.1 | Confident | 76.4 | Confident | 116 Ų | 116 | 113.2 Ų | 113.2 | 54% | 0.542 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.3 | -35.8 | 175.2 | -71 | 176.6 | 44.5 | 0 | 0 | 112.6 | D77 L78 L85 | D77-Q81 WeakPolarHBondContact O-CG 3.46Å; D77-Q81 PolarHBondContact O-N 3.2Å; L78-Q81 PolarHBondContact O-N 2.85Å; Q81-L85 WeakPolarHBondContact O-CG 3.13Å; Q81-L85 PolarHBondContact O-N 2.96Å |
| 82 | L | 74.9 | Confident | 76.4 | Confident | 117 Ų | 117 | 110.4 Ų | 110.4 | 61% | 0.613 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.9 | -43 | 174.4 | -97.5 | 165.1 | 0 | 0 | 0 | 112.6 | L78 V80 L85 T86 | L78-L82 PolarHBondContact O-N 2.74Å; L78-L82 VanDerWaalsContact O-N 3.15Å; V80-L82 VanDerWaalsContact C-N 3.34Å; V80-L82 PolarHBondContact O-N 3.32Å; L82-L85 PolarHBondContact O-N 3.28Å; L82-T86 PolarHBondContact O-N 2.7Å; L82-T86 VanDerWaalsContact O-N 3.1Å; L82-T86 PolarHBondContact O-OG1 2.74Å; L82-T86 VanDerWaalsContact O-OG1 3.14Å |
| 83 | I | 77.7 | Confident | 76.5 | Confident | 94 Ų | 94 | 110.4 Ų | 110.4 | 48% | 0.482 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.7 | -50.5 | 177.6 | -64.6 | 165.7 | 0 | 0 | 0 | 110.4 | S79 V80 L85 T86 D87 | S79-I83 PolarHBondContact O-N 3.25Å; V80-I83 PolarHBondContact O-N 2.97Å; I83-L85 PolarHBondContact O-N 3.39Å; I83-T86 WeakPolarHBondContact O-CB 3.2Å; I83-T86 PolarHBondContact O-N 2.75Å; I83-D87 PolarHBondContact O-N 2.63Å |
| 84 | N | 78 | Confident | 76.6 | Confident | 91 Ų | 91 | 104.8 Ų | 104.8 | 49% | 0.487 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.3 | -20.8 | 177.9 | -73.9 | -68.8 | 0 | 0 | 0 | 114.5 | V80 | V80-N84 PolarHBondContact O-N 2.85Å; V80-N84 PolarHBondContact O-ND2 2.72Å |
| 85 | L | 77.3 | Confident | 76.6 | Confident | 115 Ų | 115 | 103.5 Ų | 103.5 | 60% | 0.602 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -86.1 | -29.4 | 173.2 | -74.4 | 172.4 | 0 | 0 | 0 | 112.6 | Q81 L82 I83 L89 | Q81-L85 WeakPolarHBondContact O-CG 3.13Å; Q81-L85 PolarHBondContact O-N 2.96Å; L82-L85 PolarHBondContact O-N 3.28Å; I83-L85 PolarHBondContact O-N 3.39Å; L85-L89 PolarHBondContact O-N 3.09Å |
| 86 | T | 76.6 | Confident | 76.6 | Confident | 72 Ų | 72 | 98.2 Ų | 98.2 | 44% | 0.442 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -72.1 | -47.8 | 174.6 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | L82 I83 R88 L89 E90 | L82-T86 PolarHBondContact O-N 2.7Å; L82-T86 VanDerWaalsContact O-N 3.1Å; L82-T86 PolarHBondContact O-OG1 2.74Å; L82-T86 VanDerWaalsContact O-OG1 3.14Å; I83-T86 WeakPolarHBondContact O-CB 3.2Å; I83-T86 PolarHBondContact O-N 2.75Å; T86-R88 PolarHBondContact O-N 3.38Å; T86-L89 WeakPolarHBondContact O-CA 3.19Å; T86-L89 VanDerWaalsContact O-CB 3.29Å; T86-L89 WeakPolarHBondContact O-CB 3.45Å; T86-L89 PolarHBondContact O-N 2.75Å; T86-E90 PolarHBondContact O-N 3.05Å |
| 87 | D | 79.2 | Confident | 76.9 | Confident | 83 Ų | 83 | 101.2 Ų | 101.2 | 44% | 0.444 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -56 | -39.2 | 179 | -58 | -13.9 | 0 | 0 | 0 | 111.3 | I83 L89 E90 E91 | I83-D87 PolarHBondContact O-N 2.63Å; D87-L89 VanDerWaalsContact C-N 3.29Å; D87-L89 PolarHBondContact O-N 2.74Å; D87-E90 PolarHBondContact O-N 3.39Å; D87-E91 PolarHBondContact O-N 3.37Å; D87-E91 VanDerWaalsContact O-N 3.13Å |
| 88 | R | 75.9 | Confident | 77.1 | Confident | 177 Ų | 177 | 99.2 Ų | 99.2 | 67% | 0.668 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.9 | -21.7 | 175.2 | -86.3 | -178 | 154.6 | -168.9 | -5.3 | 114.9 | T86 A92 | T86-R88 PolarHBondContact O-N 3.38Å; R88-A92 PolarHBondContact O-N 2.71Å |
| 89 | L | 76.3 | Confident | 77.3 | Confident | 106 Ų | 106 | 100.4 Ų | 100.4 | 56% | 0.555 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -77.2 | -42.9 | 173.7 | -158.1 | 79.9 | 0 | 0 | 0 | 109.9 | L85 T86 D87 E91 A92 E93 | L85-L89 PolarHBondContact O-N 3.09Å; T86-L89 WeakPolarHBondContact O-CA 3.19Å; T86-L89 VanDerWaalsContact O-CB 3.29Å; T86-L89 WeakPolarHBondContact O-CB 3.45Å; T86-L89 PolarHBondContact O-N 2.75Å; D87-L89 VanDerWaalsContact C-N 3.29Å; D87-L89 PolarHBondContact O-N 2.74Å; L89-E91 VanDerWaalsContact C-N 3.35Å; L89-E91 PolarHBondContact O-N 2.77Å; L89-A92 WeakPolarHBondContact O-CB 3.36Å; L89-A92 PolarHBondContact O-N 3.22Å; L89-E93 PolarHBondContact O-N 2.71Å |
| 90 | E | 76.5 | Confident | 77.4 | Confident | 136 Ų | 136 | 101 Ų | 101 | 64% | 0.636 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.2 | -38.1 | 177 | -61.8 | -170.2 | 174 | 0 | 0 | 112 | T86 D87 A92 E93 G94 | T86-E90 PolarHBondContact O-N 3.05Å; D87-E90 PolarHBondContact O-N 3.39Å; E90-A92 VanDerWaalsContact C-N 3.29Å; E90-A92 PolarHBondContact O-N 2.73Å; E90-E93 PolarHBondContact O-N 3.18Å; E90-G94 PolarHBondContact O-N 3.36Å |
| 91 | E | 74.7 | Confident | 77.5 | Confident | 138 Ų | 138 | 102.4 Ų | 102.4 | 65% | 0.645 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.3 | -35.8 | 170.5 | -72.4 | -169.1 | 137.5 | 0 | 0 | 113 | D87 L89 T95 | D87-E91 PolarHBondContact O-N 3.37Å; D87-E91 VanDerWaalsContact O-N 3.13Å; L89-E91 VanDerWaalsContact C-N 3.35Å; L89-E91 PolarHBondContact O-N 2.77Å; E91-T95 WeakPolarHBondContact O-CG2 3.01Å; E91-T95 PolarHBondContact O-N 2.78Å; E91-T95 PolarHBondContact O-OG1 3.43Å |
| 92 | A | 73.6 | Confident | 77.7 | Confident | 49 Ų | 49 | 99.3 Ų | 99.3 | 41% | 0.405 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -76 | -35.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R88 L89 E90 T95 T96 | R88-A92 PolarHBondContact O-N 2.71Å; L89-A92 WeakPolarHBondContact O-CB 3.36Å; L89-A92 PolarHBondContact O-N 3.22Å; E90-A92 VanDerWaalsContact C-N 3.29Å; E90-A92 PolarHBondContact O-N 2.73Å; A92-T95 WeakPolarHBondContact CA-OG1 3.33Å; A92-T95 PolarHBondContact O-OG1 2.83Å; A92-T95 VanDerWaalsContact O-OG1 3.13Å; A92-T96 PolarHBondContact O-N 2.69Å; A92-T96 PolarHBondContact O-OG1 2.71Å |
| 93 | E | 75.2 | Confident | 78.1 | Confident | 128 Ų | 128 | 97.7 Ų | 97.7 | 60% | 0.598 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.2 | -47.5 | 173.6 | -67.5 | -171.7 | 164.2 | 0 | 0 | 110.9 | L89 E90 T95 T96 D97 | L89-E93 PolarHBondContact O-N 2.71Å; E90-E93 PolarHBondContact O-N 3.18Å; E93-T95 VanDerWaalsContact C-N 3.31Å; E93-T95 PolarHBondContact O-N 2.75Å; E93-T96 WeakPolarHBondContact O-CB 3.43Å; E93-T96 PolarHBondContact O-N 3.48Å; E93-D97 PolarHBondContact O-N 2.72Å |
| 94 | G | 77.8 | Confident | 78.5 | Confident | 49 Ų | 49 | 101.5 Ų | 101.5 | 51% | 0.505 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.5 | -33.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E90 T96 | E90-G94 PolarHBondContact O-N 3.36Å; G94-T96 VanDerWaalsContact C-N 3.34Å |
| 95 | T | 75.6 | Confident | 78.7 | Confident | 98 Ų | 98 | 102.3 Ų | 102.3 | 60% | 0.601 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -73.7 | -23.5 | 172.9 | 44.7 | 0 | 0 | 0 | 0 | 113.3 | E91 A92 E93 | E91-T95 WeakPolarHBondContact O-CG2 3.01Å; E91-T95 PolarHBondContact O-N 2.78Å; E91-T95 PolarHBondContact O-OG1 3.43Å; A92-T95 WeakPolarHBondContact CA-OG1 3.33Å; A92-T95 PolarHBondContact O-OG1 2.83Å; A92-T95 VanDerWaalsContact O-OG1 3.13Å; E93-T95 VanDerWaalsContact C-N 3.31Å; E93-T95 PolarHBondContact O-N 2.75Å |
| 96 | T | 77.9 | Confident | 79 | Confident | 83 Ų | 83 | 104.8 Ų | 104.8 | 51% | 0.509 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -75.9 | -43 | 178.2 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | A92 E93 G94 A98 Q99 I100 | A92-T96 PolarHBondContact O-N 2.69Å; A92-T96 PolarHBondContact O-OG1 2.71Å; E93-T96 WeakPolarHBondContact O-CB 3.43Å; E93-T96 PolarHBondContact O-N 3.48Å; G94-T96 VanDerWaalsContact C-N 3.34Å; T96-A98 PolarHBondContact O-N 2.86Å; T96-Q99 VanDerWaalsContact O-CB 3.31Å; T96-Q99 WeakPolarHBondContact O-CB 3.1Å; T96-Q99 PolarHBondContact O-N 3.48Å; T96-I100 PolarHBondContact O-N 2.73Å |
| 97 | D | 81.9 | Confident | 79.4 | Confident | 115 Ų | 115 | 107.9 Ų | 107.9 | 62% | 0.615 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.9 | -38.1 | 178.3 | -92.7 | -17.9 | 0 | 0 | 0 | 112.7 | E93 Q99 I100 E101 | E93-D97 PolarHBondContact O-N 2.72Å; D97-Q99 PolarHBondContact O-N 3.35Å; D97-I100 PolarHBondContact O-N 3.12Å; D97-E101 PolarHBondContact O-N 2.74Å; D97-E101 VanDerWaalsContact O-N 3.08Å |
| 98 | A | 78.9 | Confident | 79.7 | Confident | 61 Ų | 61 | 106.1 Ų | 106.1 | 50% | 0.504 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -57.5 | -37.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T96 A102 | T96-A98 PolarHBondContact O-N 2.86Å; A98-A102 WeakPolarHBondContact O-CB 3.42Å; A98-A102 PolarHBondContact O-N 3.39Å; A98-A102 VanDerWaalsContact O-N 3.11Å |
| 99 | Q | 81.5 | Confident | 80.2 | Confident | 132 Ų | 132 | 102.9 Ų | 102.9 | 62% | 0.617 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.7 | -35.5 | 176.9 | -163.4 | 78.4 | -22 | 0 | 0 | 112 | T96 D97 N103 | T96-Q99 VanDerWaalsContact O-CB 3.31Å; T96-Q99 WeakPolarHBondContact O-CB 3.1Å; T96-Q99 PolarHBondContact O-N 3.48Å; D97-Q99 PolarHBondContact O-N 3.35Å; Q99-N103 PolarHBondContact O-N 2.72Å; Q99-N103 PolarHBondContact O-ND2 3.5Å |
| 100 | I | 80.8 | Confident | 80.5 | Confident | 80 Ų | 80 | 102.7 Ų | 102.7 | 41% | 0.41 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -72 | -43.4 | 179 | -63.5 | 173.1 | 0 | 0 | 0 | 110.7 | T96 D97 A102 N103 R104 | T96-I100 PolarHBondContact O-N 2.73Å; D97-I100 PolarHBondContact O-N 3.12Å; I100-A102 VanDerWaalsContact C-N 3.34Å; I100-A102 PolarHBondContact O-N 3.23Å; I100-N103 PolarHBondContact O-N 3.37Å; I100-R104 PolarHBondContact O-N 3.47Å |
| 101 | E | 80.9 | Confident | 81.1 | Confident | 110 Ų | 110 | 103.5 Ų | 103.5 | 51% | 0.514 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.7 | -34.9 | 178.4 | -151.6 | -161.9 | 139.3 | 0 | 0 | 112.1 | D97 N103 R104 K105 | D97-E101 PolarHBondContact O-N 2.74Å; D97-E101 VanDerWaalsContact O-N 3.08Å; E101-N103 PolarHBondContact O-N 2.71Å; E101-R104 PolarHBondContact O-N 3.07Å; E101-K105 PolarHBondContact O-N 2.78Å; E101-K105 WeakPolarHBondContact OE1-CE 3.18Å; E101-K105 IonicContact OE1-NZ 2.62Å; E101-K105 PolarHBondContact OE1-NZ 3.06Å |
| 102 | A | 81.5 | Confident | 81.7 | Confident | 51 Ų | 51 | 103.1 Ų | 103.1 | 42% | 0.421 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.8 | -43.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A98 I100 K105 R106 | A98-A102 WeakPolarHBondContact O-CB 3.42Å; A98-A102 PolarHBondContact O-N 3.39Å; A98-A102 VanDerWaalsContact O-N 3.11Å; I100-A102 VanDerWaalsContact C-N 3.34Å; I100-A102 PolarHBondContact O-N 3.23Å; A102-K105 PolarHBondContact O-N 3.33Å; A102-R106 PolarHBondContact O-N 2.7Å |
| 103 | N | 82.8 | Confident | 82.3 | Confident | 83 Ų | 83 | 106.2 Ų | 106.2 | 44% | 0.444 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.8 | -43 | 177.8 | -77.1 | -37.3 | 0 | 0 | 0 | 112.6 | Q99 I100 E101 K105 R106 E107 | Q99-N103 PolarHBondContact O-N 2.72Å; Q99-N103 PolarHBondContact O-ND2 3.5Å; I100-N103 PolarHBondContact O-N 3.37Å; E101-N103 PolarHBondContact O-N 2.71Å; N103-K105 VanDerWaalsContact C-N 3.33Å; N103-K105 PolarHBondContact O-N 2.78Å; N103-R106 VanDerWaalsContact O-CB 3.29Å; N103-R106 WeakPolarHBondContact O-CB 3.41Å; N103-R106 PolarHBondContact O-N 3.47Å; N103-R106 VanDerWaalsContact O-N 3.16Å; N103-E107 PolarHBondContact O-N 2.79Å; N103-E107 VanDerWaalsContact O-N 3.08Å |
| 104 | R | 84.9 | Confident | 83 | Confident | 175 Ų | 175 | 109 Ų | 109 | 66% | 0.66 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.6 | -38.3 | 177.4 | -75.3 | -179.4 | 173.5 | 156.5 | 0.4 | 113.2 | I100 E101 R106 S108 | I100-R104 PolarHBondContact O-N 3.47Å; E101-R104 PolarHBondContact O-N 3.07Å; R104-R106 VanDerWaalsContact C-N 3.35Å; R104-S108 PolarHBondContact O-N 3.38Å |
| 105 | K | 83.6 | Confident | 83.5 | Confident | 108 Ų | 108 | 112.5 Ų | 112.5 | 47% | 0.47 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.2 | -46 | 175.3 | -73.3 | 166.9 | -175.9 | 161.7 | 0 | 110.8 | E101 A102 N103 E107 S108 E109 | E101-K105 PolarHBondContact O-N 2.78Å; E101-K105 WeakPolarHBondContact OE1-CE 3.18Å; E101-K105 IonicContact OE1-NZ 2.62Å; E101-K105 PolarHBondContact OE1-NZ 3.06Å; A102-K105 PolarHBondContact O-N 3.33Å; N103-K105 VanDerWaalsContact C-N 3.33Å; N103-K105 PolarHBondContact O-N 2.78Å; K105-E107 PolarHBondContact O-N 2.84Å; K105-S108 WeakPolarHBondContact O-CB 3.31Å; K105-S108 PolarHBondContact O-N 2.88Å; K105-S108 VanDerWaalsContact O-N 3.13Å; K105-S108 PolarHBondContact O-OG 2.93Å; K105-E109 WeakPolarHBondContact O-CG 3.29Å; K105-E109 PolarHBondContact O-N 2.81Å; K105-E109 VanDerWaalsContact O-N 3.09Å |
| 106 | R | 83.9 | Confident | 84.1 | Confident | 167 Ų | 167 | 112.3 Ų | 112.3 | 63% | 0.63 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60 | -39.7 | 179.4 | -146.9 | 176.1 | -165.6 | 171.2 | 4.2 | 113.5 | A102 N103 R104 E109 L110 | A102-R106 PolarHBondContact O-N 2.7Å; N103-R106 VanDerWaalsContact O-CB 3.29Å; N103-R106 WeakPolarHBondContact O-CB 3.41Å; N103-R106 PolarHBondContact O-N 3.47Å; N103-R106 VanDerWaalsContact O-N 3.16Å; R104-R106 VanDerWaalsContact C-N 3.35Å; R106-E109 PolarHBondContact O-N 2.67Å; R106-L110 WeakPolarHBondContact O-CG 3.47Å; R106-L110 PolarHBondContact O-N 3.28Å |
| 107 | E | 84.5 | Confident | 84.5 | Confident | 137 Ų | 137 | 113.4 Ų | 113.4 | 64% | 0.64 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.2 | -41.4 | 174 | -69.4 | -175.4 | 142.6 | 0 | 0 | 112 | N103 K105 E109 L110 Q111 | N103-E107 PolarHBondContact O-N 2.79Å; N103-E107 VanDerWaalsContact O-N 3.08Å; K105-E107 PolarHBondContact O-N 2.84Å; E107-E109 VanDerWaalsContact C-N 3.27Å; E107-E109 PolarHBondContact O-N 2.69Å; E107-L110 PolarHBondContact O-N 3.35Å; E107-Q111 PolarHBondContact O-N 3.3Å |
| 108 | S | 85.3 | Confident | 84.8 | Confident | 46 Ų | 46 | 113.8 Ų | 113.8 | 32% | 0.322 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.6 | -32.4 | 176.6 | 91.6 | 0 | 0 | 0 | 0 | 112.8 | R104 K105 K112 | R104-S108 PolarHBondContact O-N 3.38Å; K105-S108 WeakPolarHBondContact O-CB 3.31Å; K105-S108 PolarHBondContact O-N 2.88Å; K105-S108 VanDerWaalsContact O-N 3.13Å; K105-S108 PolarHBondContact O-OG 2.93Å; S108-K112 WeakPolarHBondContact O-CD 3.24Å; S108-K112 VanDerWaalsContact O-CG 3.27Å; S108-K112 WeakPolarHBondContact O-CG 3.32Å; S108-K112 PolarHBondContact O-N 2.77Å; S108-K112 PolarHBondContact OG-NZ 3.19Å |
| 109 | E | 85.9 | Confident | 85.3 | Confident | 108 Ų | 108 | 114.7 Ų | 114.7 | 51% | 0.505 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -72.6 | -44.9 | 176.8 | -72.2 | 168.3 | 176.3 | 0 | 0 | 111.1 | K105 R106 E107 Q111 K112 L113 | K105-E109 WeakPolarHBondContact O-CG 3.29Å; K105-E109 PolarHBondContact O-N 2.81Å; K105-E109 VanDerWaalsContact O-N 3.09Å; R106-E109 PolarHBondContact O-N 2.67Å; E107-E109 VanDerWaalsContact C-N 3.27Å; E107-E109 PolarHBondContact O-N 2.69Å; E109-Q111 VanDerWaalsContact C-N 3.27Å; E109-Q111 PolarHBondContact O-N 2.92Å; E109-K112 PolarHBondContact O-N 2.93Å; E109-L113 WeakPolarHBondContact O-CB 2.96Å; E109-L113 VanDerWaalsContact O-CG 3.32Å; E109-L113 WeakPolarHBondContact O-CG 3.41Å; E109-L113 PolarHBondContact O-N 2.81Å |
| 110 | L | 84 | Confident | 85.5 | Confident | 102 Ų | 102 | 111.6 Ų | 111.6 | 53% | 0.534 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -56.5 | -40.3 | 172.9 | -78.1 | 167.2 | 0 | 0 | 0 | 112.4 | R106 E107 L113 R114 | R106-L110 WeakPolarHBondContact O-CG 3.47Å; R106-L110 PolarHBondContact O-N 3.28Å; E107-L110 PolarHBondContact O-N 3.35Å; L110-L113 PolarHBondContact O-N 3.41Å; L110-R114 WeakPolarHBondContact O-CG 3.21Å; L110-R114 PolarHBondContact O-N 2.71Å; L110-R114 VanDerWaalsContact O-N 3.1Å |
| 111 | Q | 87.2 | Confident | 85.8 | Confident | 153 Ų | 153 | 113.1 Ų | 113.1 | 72% | 0.715 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.7 | -37.7 | 179 | -160.8 | 174.5 | 22.1 | 0 | 0 | 112.4 | E107 E109 K115 | E107-Q111 PolarHBondContact O-N 3.3Å; E109-Q111 VanDerWaalsContact C-N 3.27Å; E109-Q111 PolarHBondContact O-N 2.92Å; Q111-K115 PolarHBondContact O-N 3.34Å |
| 112 | K | 88.9 | Confident | 86.2 | Confident | 130 Ų | 130 | 112.1 Ų | 112.1 | 57% | 0.565 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.6 | -45.1 | 172.7 | -69.8 | 160.3 | -171.7 | 156.6 | 0 | 111.6 | S108 E109 R114 K115 V116 | S108-K112 WeakPolarHBondContact O-CD 3.24Å; S108-K112 VanDerWaalsContact O-CG 3.27Å; S108-K112 WeakPolarHBondContact O-CG 3.32Å; S108-K112 PolarHBondContact O-N 2.77Å; S108-K112 PolarHBondContact OG-NZ 3.19Å; E109-K112 PolarHBondContact O-N 2.93Å; K112-R114 VanDerWaalsContact C-N 3.32Å; K112-R114 PolarHBondContact O-N 2.8Å; K112-K115 PolarHBondContact O-N 2.75Å; K112-V116 WeakPolarHBondContact O-CG2 3.44Å; K112-V116 PolarHBondContact O-N 3.38Å |
| 113 | L | 85.7 | Confident | 86.6 | Confident | 115 Ų | 115 | 116.3 Ų | 116.3 | 60% | 0.602 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.4 | -37.6 | 179.5 | -73.2 | 168.5 | 0 | 0 | 0 | 112.5 | E109 L110 V116 L117 | E109-L113 WeakPolarHBondContact O-CB 2.96Å; E109-L113 VanDerWaalsContact O-CG 3.32Å; E109-L113 WeakPolarHBondContact O-CG 3.41Å; E109-L113 PolarHBondContact O-N 2.81Å; L110-L113 PolarHBondContact O-N 3.41Å; L113-V116 PolarHBondContact O-N 3.23Å; L113-L117 PolarHBondContact O-N 3.07Å |
| 114 | R | 88.7 | Confident | 86.8 | Confident | 185 Ų | 185 | 115 Ų | 115 | 70% | 0.698 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.6 | -45.4 | 173.7 | -75.5 | -178.5 | -177.7 | -159.8 | 1.6 | 112.4 | L110 K112 L117 E118 | L110-R114 WeakPolarHBondContact O-CG 3.21Å; L110-R114 PolarHBondContact O-N 2.71Å; L110-R114 VanDerWaalsContact O-N 3.1Å; K112-R114 VanDerWaalsContact C-N 3.32Å; K112-R114 PolarHBondContact O-N 2.8Å; R114-L117 WeakPolarHBondContact O-CB 3.43Å; R114-L117 PolarHBondContact O-N 2.83Å; R114-E118 PolarHBondContact O-N 3.35Å; R114-E118 VanDerWaalsContact O-N 3.07Å |
| 115 | K | 89.7 | Confident | 86.9 | Confident | 124 Ų | 124 | 112.9 Ų | 112.9 | 54% | 0.539 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 177.9 | -171.6 | -178 | 174.3 | -170.7 | 0 | 111.8 | Q111 K112 L117 E118 D119 | Q111-K115 PolarHBondContact O-N 3.34Å; K112-K115 PolarHBondContact O-N 2.75Å; K115-L117 PolarHBondContact O-N 2.76Å; K115-E118 PolarHBondContact O-N 2.75Å; K115-E118 VanDerWaalsContact O-N 3.11Å; K115-D119 VanDerWaalsContact CE-OD2 3.31Å; K115-D119 WeakPolarHBondContact CE-OD2 3.03Å; K115-D119 PolarHBondContact O-N 2.93Å |
| 116 | V | 87.9 | Confident | 87.2 | Confident | 93 Ų | 93 | 112.1 Ų | 112.1 | 56% | 0.564 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -60.1 | -32.6 | 176.4 | 173.5 | 0 | 0 | 0 | 0 | 111.8 | K112 L113 S120 | K112-V116 WeakPolarHBondContact O-CG2 3.44Å; K112-V116 PolarHBondContact O-N 3.38Å; L113-V116 PolarHBondContact O-N 3.23Å; V116-S120 WeakPolarHBondContact O-CB 3.19Å; V116-S120 PolarHBondContact O-N 2.74Å |
| 117 | L | 86.7 | Confident | 87.4 | Confident | 107 Ų | 107 | 107.3 Ų | 107.3 | 56% | 0.56 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.3 | -42.1 | 173.8 | -174.9 | 66.7 | 0 | 0 | 0 | 112.5 | L113 R114 K115 Q121 | L113-L117 PolarHBondContact O-N 3.07Å; R114-L117 WeakPolarHBondContact O-CB 3.43Å; R114-L117 PolarHBondContact O-N 2.83Å; K115-L117 PolarHBondContact O-N 2.76Å; L117-Q121 WeakPolarHBondContact O-CG 3.09Å; L117-Q121 PolarHBondContact O-N 2.77Å |
| 118 | E | 87.9 | Confident | 87.6 | Confident | 122 Ų | 122 | 104.6 Ų | 104.6 | 57% | 0.57 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.7 | -48.7 | 175.5 | -70 | 172.3 | 166.4 | 0 | 0 | 111.4 | R114 K115 S120 Q121 V122 | R114-E118 PolarHBondContact O-N 3.35Å; R114-E118 VanDerWaalsContact O-N 3.07Å; K115-E118 PolarHBondContact O-N 2.75Å; K115-E118 VanDerWaalsContact O-N 3.11Å; E118-S120 VanDerWaalsContact C-N 3.31Å; E118-S120 PolarHBondContact O-N 3.37Å; E118-Q121 PolarHBondContact O-N 2.82Å; E118-V122 PolarHBondContact O-N 3.16Å; E118-V122 VanDerWaalsContact O-N 3.17Å |
| 119 | D | 88.7 | Confident | 87.9 | Confident | 81 Ų | 81 | 106 Ų | 106 | 43% | 0.433 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57.5 | -44.3 | 176.6 | -67.5 | -30.1 | 0 | 0 | 0 | 110.4 | K115 Q121 V122 E123 | K115-D119 VanDerWaalsContact CE-OD2 3.31Å; K115-D119 WeakPolarHBondContact CE-OD2 3.03Å; K115-D119 PolarHBondContact O-N 2.93Å; D119-Q121 PolarHBondContact O-N 2.87Å; D119-V122 PolarHBondContact O-N 3.4Å; D119-E123 PolarHBondContact O-N 3.43Å |
| 120 | S | 86.7 | Confident | 88.1 | Confident | 66 Ų | 66 | 106.3 Ų | 106.3 | 46% | 0.462 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.7 | -31.1 | 177.8 | -177.8 | 0 | 0 | 0 | 0 | 114 | V116 E118 S124 | V116-S120 WeakPolarHBondContact O-CB 3.19Å; V116-S120 PolarHBondContact O-N 2.74Å; E118-S120 VanDerWaalsContact C-N 3.31Å; E118-S120 PolarHBondContact O-N 3.37Å; S120-S124 PolarHBondContact O-N 2.84Å |
| 121 | Q | 87.5 | Confident | 88.4 | Confident | 112 Ų | 112 | 107 Ų | 107 | 52% | 0.523 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.8 | -43.8 | 173.9 | -79.8 | 176.9 | -10.5 | 0 | 0 | 111.2 | L117 E118 D119 E123 S124 E125 | L117-Q121 WeakPolarHBondContact O-CG 3.09Å; L117-Q121 PolarHBondContact O-N 2.77Å; E118-Q121 PolarHBondContact O-N 2.82Å; D119-Q121 PolarHBondContact O-N 2.87Å; Q121-E123 PolarHBondContact O-N 2.82Å; Q121-S124 WeakPolarHBondContact O-CB 3.48Å; Q121-S124 PolarHBondContact O-N 2.78Å; Q121-S124 VanDerWaalsContact O-N 3.11Å; Q121-S124 PolarHBondContact O-OG 2.85Å; Q121-E125 PolarHBondContact O-N 3.39Å |
| 122 | V | 89.2 | Confident | 88.6 | Confident | 89 Ų | 89 | 107.5 Ų | 107.5 | 54% | 0.539 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 177.7 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | E118 D119 S124 E125 D126 | E118-V122 PolarHBondContact O-N 3.16Å; E118-V122 VanDerWaalsContact O-N 3.17Å; D119-V122 PolarHBondContact O-N 3.4Å; V122-S124 PolarHBondContact O-N 2.82Å; V122-E125 PolarHBondContact O-N 3.21Å; V122-D126 PolarHBondContact O-N 2.81Å |
| 123 | E | 89.1 | Confident | 88.7 | Confident | 139 Ų | 139 | 107.5 Ų | 107.5 | 65% | 0.65 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -57.8 | -34.7 | 174.6 | -71 | -174.9 | 157 | 0 | 0 | 112.7 | D119 Q121 S127 | D119-E123 PolarHBondContact O-N 3.43Å; Q121-E123 PolarHBondContact O-N 2.82Å; E123-S127 VanDerWaalsContact O-CB 3.32Å; E123-S127 WeakPolarHBondContact O-CB 3.38Å; E123-S127 PolarHBondContact O-N 2.84Å; E123-S127 VanDerWaalsContact O-N 3.09Å; E123-S127 PolarHBondContact O-OG 2.87Å |
| 124 | S | 86.1 | Confident | 88.9 | Confident | 56 Ų | 56 | 108 Ų | 108 | 39% | 0.392 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -72 | -39.4 | 177.5 | 83.2 | 0 | 0 | 0 | 0 | 112.8 | S120 Q121 V122 S127 I128 | S120-S124 PolarHBondContact O-N 2.84Å; Q121-S124 WeakPolarHBondContact O-CB 3.48Å; Q121-S124 PolarHBondContact O-N 2.78Å; Q121-S124 VanDerWaalsContact O-N 3.11Å; Q121-S124 PolarHBondContact O-OG 2.85Å; V122-S124 PolarHBondContact O-N 2.82Å; S124-S127 PolarHBondContact O-N 3.48Å; S124-I128 VanDerWaalsContact O-CG1 3.3Å; S124-I128 WeakPolarHBondContact O-CG1 3.06Å; S124-I128 PolarHBondContact O-N 3.45Å |
| 125 | E | 88 | Confident | 89 | Confident | 130 Ų | 130 | 105.1 Ų | 105.1 | 61% | 0.607 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69 | -42.5 | 177.5 | -67.5 | -160.2 | 147.8 | 0 | 0 | 111.7 | Q121 V122 S127 I128 N129 | Q121-E125 PolarHBondContact O-N 3.39Å; V122-E125 PolarHBondContact O-N 3.21Å; E125-S127 VanDerWaalsContact C-N 3.32Å; E125-S127 PolarHBondContact O-N 2.81Å; E125-I128 PolarHBondContact O-N 3.44Å; E125-N129 WeakPolarHBondContact O-CB 3.48Å; E125-N129 VanDerWaalsContact O-CG 3.3Å; E125-N129 PolarHBondContact O-N 2.72Å; E125-N129 PolarHBondContact O-ND2 2.89Å; E125-N129 VanDerWaalsContact O-ND2 3.16Å |
| 126 | D | 89.7 | Confident | 89.1 | Confident | 93 Ų | 93 | 105.3 Ų | 105.3 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 174.4 | -97.4 | -8.1 | 0 | 0 | 0 | 111.7 | V122 I128 N129 Q130 | V122-D126 PolarHBondContact O-N 2.81Å; D126-I128 PolarHBondContact O-N 3.16Å; D126-N129 PolarHBondContact O-N 2.94Å; D126-Q130 WeakPolarHBondContact O-CG 3.27Å; D126-Q130 PolarHBondContact O-N 2.68Å |
| 127 | S | 88.9 | Confident | 89.2 | Confident | 65 Ų | 65 | 105.7 Ų | 105.7 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 174.3 | -63.6 | 0 | 0 | 0 | 0 | 112.1 | E123 S124 E125 Q130 L131 | E123-S127 VanDerWaalsContact O-CB 3.32Å; E123-S127 WeakPolarHBondContact O-CB 3.38Å; E123-S127 PolarHBondContact O-N 2.84Å; E123-S127 VanDerWaalsContact O-N 3.09Å; E123-S127 PolarHBondContact O-OG 2.87Å; S124-S127 PolarHBondContact O-N 3.48Å; E125-S127 VanDerWaalsContact C-N 3.32Å; E125-S127 PolarHBondContact O-N 2.81Å; S127-Q130 PolarHBondContact O-N 3.17Å; S127-L131 WeakPolarHBondContact O-CG 3.05Å; S127-L131 PolarHBondContact O-N 3.12Å |
| 128 | I | 88.7 | Confident | 89.4 | Confident | 81 Ų | 81 | 102.6 Ų | 102.6 | 42% | 0.415 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 175.3 | -71.3 | 165 | 0 | 0 | 0 | 111.1 | S124 E125 D126 L131 R132 | S124-I128 VanDerWaalsContact O-CG1 3.3Å; S124-I128 WeakPolarHBondContact O-CG1 3.06Å; S124-I128 PolarHBondContact O-N 3.45Å; E125-I128 PolarHBondContact O-N 3.44Å; D126-I128 PolarHBondContact O-N 3.16Å; I128-L131 PolarHBondContact O-N 2.81Å; I128-R132 HydrophobicContact CG2-CG 4.49Å; I128-R132 WeakPolarHBondContact O-CG 3.44Å; I128-R132 PolarHBondContact O-N 3.42Å |
| 129 | N | 91 | Very high | 89.5 | Confident | 76 Ų | 76 | 100.9 Ų | 100.9 | 41% | 0.406 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.9 | -38 | 179.3 | -71.7 | -34.1 | 0 | 0 | 0 | 112.3 | E125 D126 R132 K133 | E125-N129 WeakPolarHBondContact O-CB 3.48Å; E125-N129 VanDerWaalsContact O-CG 3.3Å; E125-N129 PolarHBondContact O-N 2.72Å; E125-N129 PolarHBondContact O-ND2 2.89Å; E125-N129 VanDerWaalsContact O-ND2 3.16Å; D126-N129 PolarHBondContact O-N 2.94Å; N129-R132 PolarHBondContact O-N 3.06Å; N129-K133 WeakPolarHBondContact O-CB 3.48Å; N129-K133 PolarHBondContact O-N 3.5Å |
| 130 | Q | 90.4 | Very high | 89.6 | Confident | 113 Ų | 113 | 100.8 Ų | 100.8 | 53% | 0.528 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 171.4 | -73.1 | -176.3 | 42.1 | 0 | 0 | 112.4 | D126 S127 K133 K134 | D126-Q130 WeakPolarHBondContact O-CG 3.27Å; D126-Q130 PolarHBondContact O-N 2.68Å; S127-Q130 PolarHBondContact O-N 3.17Å; Q130-K133 PolarHBondContact O-N 2.73Å; Q130-K134 WeakPolarHBondContact O-CG 3.24Å; Q130-K134 PolarHBondContact O-N 3.32Å |
| 131 | L | 89.3 | Confident | 89.7 | Confident | 118 Ų | 118 | 101.4 Ų | 101.4 | 62% | 0.618 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.7 | -42.9 | 176.6 | -74.1 | 169.8 | 0 | 0 | 0 | 112.1 | S127 I128 K133 K134 H135 | S127-L131 WeakPolarHBondContact O-CG 3.05Å; S127-L131 PolarHBondContact O-N 3.12Å; I128-L131 PolarHBondContact O-N 2.81Å; L131-K133 PolarHBondContact O-N 2.91Å; L131-K134 PolarHBondContact O-N 3.32Å; L131-H135 WeakPolarHBondContact O-CB 3.31Å; L131-H135 PolarHBondContact O-N 2.82Å |
| 132 | R | 91 | Very high | 89.9 | Confident | 162 Ų | 162 | 102.9 Ų | 102.9 | 61% | 0.611 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -57.7 | -46.9 | 173.5 | -76.2 | 171.6 | 173 | 169.6 | -2.5 | 111.7 | I128 N129 H135 Q136 | I128-R132 HydrophobicContact CG2-CG 4.49Å; I128-R132 WeakPolarHBondContact O-CG 3.44Å; I128-R132 PolarHBondContact O-N 3.42Å; N129-R132 PolarHBondContact O-N 3.06Å; R132-H135 PolarHBondContact O-N 3.31Å; R132-Q136 PolarHBondContact O-N 2.99Å |
| 133 | K | 91.5 | Very high | 90 | Very high | 130 Ų | 130 | 104.6 Ų | 104.6 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.4 | -49.6 | 177.7 | -180 | 173.4 | 170.1 | 177.8 | 0 | 111.9 | N129 Q130 L131 H135 Q136 E137 | N129-K133 WeakPolarHBondContact O-CB 3.48Å; N129-K133 PolarHBondContact O-N 3.5Å; Q130-K133 PolarHBondContact O-N 2.73Å; L131-K133 PolarHBondContact O-N 2.91Å; K133-H135 VanDerWaalsContact C-N 3.29Å; K133-H135 PolarHBondContact O-N 3.16Å; K133-Q136 PolarHBondContact O-N 2.8Å; K133-Q136 VanDerWaalsContact O-N 3.14Å; K133-E137 WeakPolarHBondContact CE-OE1 3.32Å; K133-E137 HydrophobicContact CG-CG 4.46Å; K133-E137 IonicContact NZ-OE1 2.74Å; K133-E137 WeakPolarHBondContact O-CG 3.3Å; K133-E137 PolarHBondContact O-N 3.35Å |
| 134 | K | 91 | Very high | 90 | Very high | 127 Ų | 127 | 103 Ų | 103 | 55% | 0.552 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.2 | -39.8 | 176.5 | -74.1 | 172.7 | 179.5 | 171.9 | 0 | 112.5 | Q130 L131 A138 | Q130-K134 WeakPolarHBondContact O-CG 3.24Å; Q130-K134 PolarHBondContact O-N 3.32Å; L131-K134 PolarHBondContact O-N 3.32Å; K134-A138 WeakPolarHBondContact O-CB 3.23Å; K134-A138 PolarHBondContact O-N 2.86Å |
| 135 | H | 89.8 | Confident | 90.3 | Very high | 124 Ų | 124 | 104.2 Ų | 104.2 | 57% | 0.574 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.1 | -40.3 | 176.8 | -171.2 | 67.4 | 0 | 0 | 0 | 112.1 | L131 R132 K133 A138 L139 | L131-H135 WeakPolarHBondContact O-CB 3.31Å; L131-H135 PolarHBondContact O-N 2.82Å; R132-H135 PolarHBondContact O-N 3.31Å; K133-H135 VanDerWaalsContact C-N 3.29Å; K133-H135 PolarHBondContact O-N 3.16Å; H135-A138 PolarHBondContact O-N 3.46Å; H135-L139 WeakPolarHBondContact O-CG 3.11Å; H135-L139 PolarHBondContact O-N 3.06Å |
| 136 | Q | 92 | Very high | 90.3 | Very high | 127 Ų | 127 | 102.5 Ų | 102.5 | 59% | 0.593 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.3 | -38.8 | 176.1 | -168.9 | 171.2 | 7.7 | 0 | 0 | 112.3 | R132 K133 L139 I140 | R132-Q136 PolarHBondContact O-N 2.99Å; K133-Q136 PolarHBondContact O-N 2.8Å; K133-Q136 VanDerWaalsContact O-N 3.14Å; Q136-L139 PolarHBondContact O-N 3.3Å; Q136-I140 HydrophobicContact CG-CD1 4.44Å; Q136-I140 WeakPolarHBondContact O-CG1 3.46Å; Q136-I140 PolarHBondContact O-N 3.19Å; Q136-I140 VanDerWaalsContact O-N 3.1Å |
| 137 | E | 91 | Very high | 90.3 | Very high | 101 Ų | 101 | 102.8 Ų | 102.8 | 47% | 0.472 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 172.9 | -72.2 | 168.3 | 164.1 | 0 | 0 | 111.4 | K133 I140 D141 | K133-E137 WeakPolarHBondContact CE-OE1 3.32Å; K133-E137 HydrophobicContact CG-CG 4.46Å; K133-E137 IonicContact NZ-OE1 2.74Å; K133-E137 WeakPolarHBondContact O-CG 3.3Å; K133-E137 PolarHBondContact O-N 3.35Å; E137-I140 PolarHBondContact O-N 3.35Å; E137-D141 PolarHBondContact O-N 3.39Å |
| 138 | A | 90.4 | Very high | 90.3 | Very high | 42 Ų | 42 | 104.7 Ų | 104.7 | 35% | 0.347 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.2 | -37.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | K134 H135 I140 D141 Y142 | K134-A138 WeakPolarHBondContact O-CB 3.23Å; K134-A138 PolarHBondContact O-N 2.86Å; H135-A138 PolarHBondContact O-N 3.46Å; A138-I140 VanDerWaalsContact C-N 3.34Å; A138-D141 PolarHBondContact O-N 2.86Å; A138-Y142 WeakPolarHBondContact O-CD2 3.5Å; A138-Y142 PolarHBondContact O-N 3.12Å |
| 139 | L | 89.6 | Confident | 90.3 | Very high | 87 Ų | 87 | 106.1 Ų | 106.1 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 174.5 | -75.4 | 170.2 | 0 | 0 | 0 | 112.1 | H135 Q136 Q143 | H135-L139 WeakPolarHBondContact O-CG 3.11Å; H135-L139 PolarHBondContact O-N 3.06Å; Q136-L139 PolarHBondContact O-N 3.3Å; L139-Q143 WeakPolarHBondContact O-CG 3.31Å; L139-Q143 PolarHBondContact O-N 3.36Å |
| 140 | I | 91.3 | Very high | 90.3 | Very high | 79 Ų | 79 | 108.5 Ų | 108.5 | 41% | 0.405 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.8 | -42.2 | 176 | -69.1 | 164.8 | 0 | 0 | 0 | 110.8 | Q136 E137 A138 Q143 Q144 | Q136-I140 HydrophobicContact CG-CD1 4.44Å; Q136-I140 WeakPolarHBondContact O-CG1 3.46Å; Q136-I140 PolarHBondContact O-N 3.19Å; Q136-I140 VanDerWaalsContact O-N 3.1Å; E137-I140 PolarHBondContact O-N 3.35Å; A138-I140 VanDerWaalsContact C-N 3.34Å; I140-Q143 PolarHBondContact O-N 3.08Å; I140-Q144 WeakPolarHBondContact O-CG 3.1Å; I140-Q144 PolarHBondContact O-N 3.35Å |
| 141 | D | 88.8 | Confident | 90.3 | Very high | 79 Ų | 79 | 109 Ų | 109 | 42% | 0.422 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -47.4 | 176 | -175.4 | 62.2 | 0 | 0 | 0 | 111.6 | E137 A138 Q143 Q144 Q145 | E137-D141 PolarHBondContact O-N 3.39Å; A138-D141 PolarHBondContact O-N 2.86Å; D141-Q143 VanDerWaalsContact C-N 3.31Å; D141-Q143 PolarHBondContact O-N 3.34Å; D141-Q144 PolarHBondContact O-N 3.15Å; D141-Q144 VanDerWaalsContact O-N 3.09Å; D141-Q145 WeakPolarHBondContact O-CG 3.29Å; D141-Q145 PolarHBondContact O-N 3.18Å; D141-Q145 PolarHBondContact OD2-NE2 3.04Å |
| 142 | Y | 90.8 | Very high | 90.4 | Very high | 143 Ų | 143 | 109.2 Ų | 109.2 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.4 | -35.8 | 175.3 | -71 | -50.6 | 0 | 0 | 0 | 113.1 | A138 Q145 I146 | A138-Y142 WeakPolarHBondContact O-CD2 3.5Å; A138-Y142 PolarHBondContact O-N 3.12Å; Y142-Q145 PolarHBondContact O-N 2.74Å; Y142-I146 WeakPolarHBondContact O-CD1 3.28Å; Y142-I146 VanDerWaalsContact O-CG1 3.25Å; Y142-I146 WeakPolarHBondContact O-CG1 3.37Å; Y142-I146 PolarHBondContact O-N 3.25Å |
| 143 | Q | 90.7 | Very high | 90.3 | Very high | 125 Ų | 125 | 106 Ų | 106 | 58% | 0.584 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.8 | -43.2 | 172.1 | -77.3 | 176 | -19.9 | 0 | 0 | 112 | L139 I140 D141 I146 E147 | L139-Q143 WeakPolarHBondContact O-CG 3.31Å; L139-Q143 PolarHBondContact O-N 3.36Å; I140-Q143 PolarHBondContact O-N 3.08Å; D141-Q143 VanDerWaalsContact C-N 3.31Å; D141-Q143 PolarHBondContact O-N 3.34Å; Q143-I146 PolarHBondContact O-N 3.4Å; Q143-E147 PolarHBondContact O-N 3.08Å |
| 144 | Q | 90.2 | Very high | 90.2 | Very high | 104 Ų | 104 | 102.1 Ų | 102.1 | 49% | 0.486 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.2 | -38.9 | 175.3 | -68.9 | -178.1 | 34.8 | 0 | 0 | 112.2 | I140 D141 E147 Q148 | I140-Q144 WeakPolarHBondContact O-CG 3.1Å; I140-Q144 PolarHBondContact O-N 3.35Å; D141-Q144 PolarHBondContact O-N 3.15Å; D141-Q144 VanDerWaalsContact O-N 3.09Å; Q144-E147 PolarHBondContact O-N 2.91Å; Q144-Q148 WeakPolarHBondContact O-CG 3.07Å; Q144-Q148 PolarHBondContact O-N 2.72Å |
| 145 | Q | 91.2 | Very high | 90.2 | Very high | 83 Ų | 83 | 101.8 Ų | 101.8 | 39% | 0.388 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62 | -43.4 | 173.5 | -68.1 | -175 | 36.1 | 0 | 0 | 111.6 | D141 Y142 Q148 L149 | D141-Q145 WeakPolarHBondContact O-CG 3.29Å; D141-Q145 PolarHBondContact O-N 3.18Å; D141-Q145 PolarHBondContact OD2-NE2 3.04Å; Y142-Q145 PolarHBondContact O-N 2.74Å; Q145-Q148 PolarHBondContact O-N 3.13Å; Q145-L149 WeakPolarHBondContact O-CG 3.44Å; Q145-L149 PolarHBondContact O-N 3.35Å |
| 146 | I | 88.7 | Confident | 90.1 | Very high | 93 Ų | 93 | 100.5 Ų | 100.5 | 48% | 0.477 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 176 | -71.2 | 163.7 | 0 | 0 | 0 | 111 | Y142 Q143 Q148 L149 Q150 | Y142-I146 WeakPolarHBondContact O-CD1 3.28Å; Y142-I146 VanDerWaalsContact O-CG1 3.25Å; Y142-I146 WeakPolarHBondContact O-CG1 3.37Å; Y142-I146 PolarHBondContact O-N 3.25Å; Q143-I146 PolarHBondContact O-N 3.4Å; I146-Q148 VanDerWaalsContact C-N 3.34Å; I146-Q148 PolarHBondContact O-N 2.83Å; I146-L149 PolarHBondContact O-N 3.21Å; I146-Q150 HydrophobicContact CG2-CG 4.46Å; I146-Q150 WeakPolarHBondContact O-CG 3.21Å; I146-Q150 PolarHBondContact O-N 3.14Å |
| 147 | E | 89.2 | Confident | 89.8 | Confident | 100 Ų | 100 | 96.8 Ų | 96.8 | 47% | 0.467 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 175.3 | -84.4 | -163.8 | -142.9 | 0 | 0 | 112.7 | Q143 Q144 L149 Q150 K151 | Q143-E147 PolarHBondContact O-N 3.08Å; Q144-E147 PolarHBondContact O-N 2.91Å; E147-L149 VanDerWaalsContact C-N 3.34Å; E147-Q150 PolarHBondContact O-N 2.76Å; E147-K151 WeakPolarHBondContact O-CB 3.29Å; E147-K151 WeakPolarHBondContact O-CD 3.26Å; E147-K151 VanDerWaalsContact O-CG 3.23Å; E147-K151 WeakPolarHBondContact O-CG 3.2Å; E147-K151 PolarHBondContact O-N 3.22Å; E147-K151 IonicContact OE2-NZ 3.66Å; E147-K151 PolarHBondContact OE2-NZ 3.45Å |
| 148 | Q | 90 | Very high | 89.8 | Confident | 104 Ų | 104 | 100.3 Ų | 100.3 | 49% | 0.486 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 177.2 | -74.2 | -177.7 | 42.9 | 0 | 0 | 111.9 | Q144 Q145 I146 K152 | Q144-Q148 WeakPolarHBondContact O-CG 3.07Å; Q144-Q148 PolarHBondContact O-N 2.72Å; Q145-Q148 PolarHBondContact O-N 3.13Å; I146-Q148 VanDerWaalsContact C-N 3.34Å; I146-Q148 PolarHBondContact O-N 2.83Å; Q148-K152 WeakPolarHBondContact O-CB 3.35Å; Q148-K152 VanDerWaalsContact O-CG 3.3Å; Q148-K152 WeakPolarHBondContact O-CG 3.41Å; Q148-K152 PolarHBondContact O-N 3.36Å |
| 149 | L | 89.3 | Confident | 89.6 | Confident | 111 Ų | 111 | 102.7 Ų | 102.7 | 58% | 0.581 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67.7 | -42.8 | 175.9 | -72.3 | 170.5 | 0 | 0 | 0 | 111.8 | Q145 I146 E147 K151 K152 N153 | Q145-L149 WeakPolarHBondContact O-CG 3.44Å; Q145-L149 PolarHBondContact O-N 3.35Å; I146-L149 PolarHBondContact O-N 3.21Å; E147-L149 VanDerWaalsContact C-N 3.34Å; L149-K151 PolarHBondContact O-N 3.44Å; L149-K152 PolarHBondContact O-N 3.45Å; L149-N153 WeakPolarHBondContact O-CB 3.46Å; L149-N153 PolarHBondContact O-N 2.89Å |
| 150 | Q | 90.4 | Very high | 89.7 | Confident | 127 Ų | 127 | 104 Ų | 104 | 59% | 0.593 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.7 | -46 | 173.6 | -72.8 | 175.9 | -4.7 | 0 | 0 | 111.7 | I146 E147 N153 S154 | I146-Q150 HydrophobicContact CG2-CG 4.46Å; I146-Q150 WeakPolarHBondContact O-CG 3.21Å; I146-Q150 PolarHBondContact O-N 3.14Å; E147-Q150 PolarHBondContact O-N 2.76Å; Q150-N153 PolarHBondContact O-N 3.18Å; Q150-S154 WeakPolarHBondContact O-CB 3.12Å; Q150-S154 PolarHBondContact O-N 3.3Å |
| 151 | K | 90.8 | Very high | 89.6 | Confident | 123 Ų | 123 | 105.9 Ų | 105.9 | 54% | 0.535 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 176.5 | -72.1 | 162.3 | -169.7 | 165.1 | 0 | 111.2 | E147 L149 S154 K155 | E147-K151 WeakPolarHBondContact O-CB 3.29Å; E147-K151 WeakPolarHBondContact O-CD 3.26Å; E147-K151 VanDerWaalsContact O-CG 3.23Å; E147-K151 WeakPolarHBondContact O-CG 3.2Å; E147-K151 PolarHBondContact O-N 3.22Å; E147-K151 IonicContact OE2-NZ 3.66Å; E147-K151 PolarHBondContact OE2-NZ 3.45Å; L149-K151 PolarHBondContact O-N 3.44Å; K151-S154 PolarHBondContact O-N 3.42Å; K151-S154 PolarHBondContact O-OG 3.03Å; K151-K155 PolarHBondContact O-N 3.36Å |
| 152 | K | 89.6 | Confident | 89.7 | Confident | 123 Ų | 123 | 109.6 Ų | 109.6 | 54% | 0.535 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.8 | -47.4 | 174.2 | -76.4 | 171 | -179.6 | 172.3 | 0 | 112.3 | Q148 L149 S154 K155 I156 | Q148-K152 WeakPolarHBondContact O-CB 3.35Å; Q148-K152 VanDerWaalsContact O-CG 3.3Å; Q148-K152 WeakPolarHBondContact O-CG 3.41Å; Q148-K152 PolarHBondContact O-N 3.36Å; L149-K152 PolarHBondContact O-N 3.45Å; K152-S154 VanDerWaalsContact C-N 3.35Å; K152-S154 PolarHBondContact O-N 3.31Å; K152-K155 WeakPolarHBondContact O-CB 3.45Å; K152-K155 PolarHBondContact O-N 3.41Å; K152-K155 VanDerWaalsContact O-N 3.11Å; K152-I156 WeakPolarHBondContact O-CG1 3.25Å; K152-I156 PolarHBondContact O-N 2.91Å |
| 153 | N | 90.8 | Very high | 89.5 | Confident | 93 Ų | 93 | 107.4 Ų | 107.4 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | -179.9 | -162 | 56.5 | 0 | 0 | 0 | 111.3 | L149 Q150 K155 I156 D157 | L149-N153 WeakPolarHBondContact O-CB 3.46Å; L149-N153 PolarHBondContact O-N 2.89Å; Q150-N153 PolarHBondContact O-N 3.18Å; N153-K155 PolarHBondContact O-N 3.37Å; N153-I156 PolarHBondContact O-N 3.17Å; N153-I156 VanDerWaalsContact O-N 3.07Å; N153-D157 PolarHBondContact ND2-OD2 2.78Å; N153-D157 PolarHBondContact O-N 3.03Å |
| 154 | S | 88.5 | Confident | 89.4 | Confident | 50 Ų | 50 | 106.5 Ų | 106.5 | 35% | 0.35 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.2 | -23.8 | 176.5 | 78.6 | 0 | 0 | 0 | 0 | 114.4 | Q150 K151 K152 R158 | Q150-S154 WeakPolarHBondContact O-CB 3.12Å; Q150-S154 PolarHBondContact O-N 3.3Å; K151-S154 PolarHBondContact O-N 3.42Å; K151-S154 PolarHBondContact O-OG 3.03Å; K152-S154 VanDerWaalsContact C-N 3.35Å; K152-S154 PolarHBondContact O-N 3.31Å; S154-R158 WeakPolarHBondContact O-CD 3.23Å; S154-R158 VanDerWaalsContact O-CG 3.28Å; S154-R158 WeakPolarHBondContact O-CG 3.39Å |
| 155 | K | 90.4 | Very high | 89.4 | Confident | 119 Ų | 119 | 107.2 Ų | 107.2 | 52% | 0.517 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -78.1 | -45.1 | 171.7 | -176 | 176.1 | 179.3 | -70.4 | 0 | 111 | K151 K152 N153 D157 R158 E159 | K151-K155 PolarHBondContact O-N 3.36Å; K152-K155 WeakPolarHBondContact O-CB 3.45Å; K152-K155 PolarHBondContact O-N 3.41Å; K152-K155 VanDerWaalsContact O-N 3.11Å; N153-K155 PolarHBondContact O-N 3.37Å; K155-D157 PolarHBondContact O-N 3.15Å; K155-R158 PolarHBondContact O-N 3.33Å; K155-E159 WeakPolarHBondContact CE-OE1 3.27Å; K155-E159 VanDerWaalsContact NZ-CD 3.26Å; K155-E159 IonicContact NZ-OE1 3.16Å; K155-E159 PolarHBondContact NZ-OE1 3.42Å; K155-E159 IonicContact NZ-OE2 2.69Å; K155-E159 PolarHBondContact NZ-OE2 3.32Å; K155-E159 VanDerWaalsContact NZ-OE2 3.17Å; K155-E159 WeakPolarHBondContact O-CG 3.31Å; K155-E159 PolarHBondContact O-N 2.91Å |
| 156 | I | 89.1 | Confident | 89.2 | Confident | 97 Ų | 97 | 106.5 Ų | 106.5 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 178.4 | -65.9 | 166 | 0 | 0 | 0 | 111.3 | K152 N153 R158 E159 R160 | K152-I156 WeakPolarHBondContact O-CG1 3.25Å; K152-I156 PolarHBondContact O-N 2.91Å; N153-I156 PolarHBondContact O-N 3.17Å; N153-I156 VanDerWaalsContact O-N 3.07Å; I156-R158 VanDerWaalsContact C-N 3.33Å; I156-R158 PolarHBondContact O-N 2.8Å; I156-E159 PolarHBondContact O-N 3.06Å; I156-R160 WeakPolarHBondContact O-CB 3.31Å; I156-R160 PolarHBondContact O-N 3.01Å |
| 157 | D | 85.1 | Confident | 89.2 | Confident | 50 Ų | 50 | 106.3 Ų | 106.3 | 27% | 0.267 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.2 | -40.8 | 175.4 | -82.7 | -51 | 0 | 0 | 0 | 112.4 | N153 K155 R160 Q161 | N153-D157 PolarHBondContact ND2-OD2 2.78Å; N153-D157 PolarHBondContact O-N 3.03Å; K155-D157 PolarHBondContact O-N 3.15Å; D157-R160 IonicContact OD1-CZ 3.15Å; D157-R160 IonicContact OD1-NH1 2.71Å; D157-R160 PolarHBondContact OD1-NH1 2.73Å; D157-R160 IonicContact OD1-NH2 2.74Å; D157-R160 PolarHBondContact OD1-NH2 3.33Å; D157-Q161 WeakPolarHBondContact O-CG 3.32Å; D157-Q161 PolarHBondContact O-N 3.36Å |
| 158 | R | 90.4 | Very high | 89.2 | Confident | 175 Ų | 175 | 106.7 Ų | 106.7 | 66% | 0.66 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.2 | -41.3 | 176.4 | -68.4 | 170.2 | -170.7 | 178.7 | 3.9 | 112.1 | S154 K155 I156 Q161 R162 | S154-R158 WeakPolarHBondContact O-CD 3.23Å; S154-R158 VanDerWaalsContact O-CG 3.28Å; S154-R158 WeakPolarHBondContact O-CG 3.39Å; K155-R158 PolarHBondContact O-N 3.33Å; I156-R158 VanDerWaalsContact C-N 3.33Å; I156-R158 PolarHBondContact O-N 2.8Å; R158-Q161 PolarHBondContact O-N 3.46Å; R158-R162 PolarHBondContact O-N 3.26Å |
| 159 | E | 86.9 | Confident | 89.1 | Confident | 91 Ų | 91 | 107.6 Ų | 107.6 | 43% | 0.425 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 176.8 | -74 | 172.8 | 163.3 | 0 | 0 | 111.1 | K155 I156 R162 L163 | K155-E159 WeakPolarHBondContact CE-OE1 3.27Å; K155-E159 VanDerWaalsContact NZ-CD 3.26Å; K155-E159 IonicContact NZ-OE1 3.16Å; K155-E159 PolarHBondContact NZ-OE1 3.42Å; K155-E159 IonicContact NZ-OE2 2.69Å; K155-E159 PolarHBondContact NZ-OE2 3.32Å; K155-E159 VanDerWaalsContact NZ-OE2 3.17Å; K155-E159 WeakPolarHBondContact O-CG 3.31Å; K155-E159 PolarHBondContact O-N 2.91Å; I156-E159 PolarHBondContact O-N 3.06Å; E159-R162 PolarHBondContact O-N 3.28Å; E159-L163 WeakPolarHBondContact O-CG 3.28Å; E159-L163 PolarHBondContact O-N 3.04Å |
| 160 | R | 91 | Very high | 89.1 | Confident | 114 Ų | 114 | 107.8 Ų | 107.8 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.7 | -46 | 171.2 | -171.7 | -173.5 | 67.1 | -116.5 | -11 | 111.7 | I156 D157 R162 L163 Q164 | I156-R160 WeakPolarHBondContact O-CB 3.31Å; I156-R160 PolarHBondContact O-N 3.01Å; D157-R160 IonicContact OD1-CZ 3.15Å; D157-R160 IonicContact OD1-NH1 2.71Å; D157-R160 PolarHBondContact OD1-NH1 2.73Å; D157-R160 IonicContact OD1-NH2 2.74Å; D157-R160 PolarHBondContact OD1-NH2 3.33Å; R160-R162 PolarHBondContact O-N 2.77Å; R160-L163 PolarHBondContact O-N 3.34Å; R160-Q164 HydrophobicContact CG-CG 4.45Å; R160-Q164 WeakPolarHBondContact O-CB 3.22Å; R160-Q164 VanDerWaalsContact O-CG 3.27Å; R160-Q164 WeakPolarHBondContact O-CG 3.29Å; R160-Q164 PolarHBondContact O-N 3.11Å |
| 161 | Q | 89.4 | Confident | 89.1 | Confident | 119 Ų | 119 | 105.1 Ų | 105.1 | 56% | 0.556 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.9 | -40.9 | 177.6 | -78.1 | 175.5 | -18.4 | 0 | 0 | 112.3 | D157 R158 Q164 H165 | D157-Q161 WeakPolarHBondContact O-CG 3.32Å; D157-Q161 PolarHBondContact O-N 3.36Å; R158-Q161 PolarHBondContact O-N 3.46Å; Q161-Q164 PolarHBondContact O-N 2.97Å; Q161-H165 PolarHBondContact O-N 3.23Å; Q161-H165 VanDerWaalsContact O-N 3.12Å |
| 162 | R | 90.2 | Very high | 88.9 | Confident | 158 Ų | 158 | 102.1 Ų | 102.1 | 60% | 0.596 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.2 | -50.4 | 175.8 | -159 | -159.5 | 91.3 | 176.1 | 8.3 | 111.2 | R158 E159 R160 Q164 H165 E166 | R158-R162 PolarHBondContact O-N 3.26Å; E159-R162 PolarHBondContact O-N 3.28Å; R160-R162 PolarHBondContact O-N 2.77Å; R162-Q164 VanDerWaalsContact C-N 3.28Å; R162-Q164 PolarHBondContact O-N 2.96Å; R162-H165 WeakPolarHBondContact O-CB 3.3Å; R162-H165 PolarHBondContact O-N 3.41Å; R162-E166 IonicContact CZ-OE2 3.5Å; R162-E166 VanDerWaalsContact CZ-OE2 3.24Å; R162-E166 IonicContact NE-OE2 3.43Å; R162-E166 PolarHBondContact NE-OE2 2.95Å; R162-E166 IonicContact NH2-OE1 3.83Å; R162-E166 PolarHBondContact NH2-OE1 2.78Å; R162-E166 IonicContact NH2-OE2 2.71Å; R162-E166 PolarHBondContact NH2-OE2 3.44Å; R162-E166 WeakPolarHBondContact O-CB 3.2Å; R162-E166 PolarHBondContact O-N 3.12Å |
| 163 | L | 87.1 | Confident | 88.9 | Confident | 96 Ų | 96 | 97.8 Ų | 97.8 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.5 | -34 | 178.8 | -69.1 | 170.5 | 0 | 0 | 0 | 112.3 | E159 R160 H165 V167 | E159-L163 WeakPolarHBondContact O-CG 3.28Å; E159-L163 PolarHBondContact O-N 3.04Å; R160-L163 PolarHBondContact O-N 3.34Å; L163-H165 VanDerWaalsContact C-N 3.35Å; L163-V167 WeakPolarHBondContact O-CB 3.42Å; L163-V167 VanDerWaalsContact O-CG2 3.26Å; L163-V167 WeakPolarHBondContact O-CG2 3.46Å; L163-V167 PolarHBondContact O-N 3.24Å |
| 164 | Q | 89.5 | Confident | 88.8 | Confident | 107 Ų | 107 | 97.7 Ų | 97.7 | 50% | 0.5 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.5 | -35.5 | 173.1 | -77.4 | 177.1 | -46.1 | 0 | 0 | 112.6 | R160 Q161 R162 I168 | R160-Q164 HydrophobicContact CG-CG 4.45Å; R160-Q164 WeakPolarHBondContact O-CB 3.22Å; R160-Q164 VanDerWaalsContact O-CG 3.27Å; R160-Q164 WeakPolarHBondContact O-CG 3.29Å; R160-Q164 PolarHBondContact O-N 3.11Å; Q161-Q164 PolarHBondContact O-N 2.97Å; R162-Q164 VanDerWaalsContact C-N 3.28Å; R162-Q164 PolarHBondContact O-N 2.96Å; Q164-I168 WeakPolarHBondContact O-CD1 3.4Å; Q164-I168 VanDerWaalsContact O-CG1 3.28Å; Q164-I168 WeakPolarHBondContact O-CG1 3.46Å; Q164-I168 PolarHBondContact O-N 3.34Å |
| 165 | H | 88.9 | Confident | 88.8 | Confident | 118 Ų | 118 | 99.2 Ų | 99.2 | 55% | 0.546 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -71.9 | -46.2 | 174.5 | -143.6 | 59.6 | 0 | 0 | 0 | 111.4 | Q161 R162 L163 V167 I168 E169 | Q161-H165 PolarHBondContact O-N 3.23Å; Q161-H165 VanDerWaalsContact O-N 3.12Å; R162-H165 WeakPolarHBondContact O-CB 3.3Å; R162-H165 PolarHBondContact O-N 3.41Å; L163-H165 VanDerWaalsContact C-N 3.35Å; H165-V167 VanDerWaalsContact C-N 3.29Å; H165-V167 PolarHBondContact O-N 2.8Å; H165-I168 WeakPolarHBondContact O-CA 3.4Å; H165-I168 WeakPolarHBondContact O-CB 3.27Å; H165-I168 PolarHBondContact O-N 3.01Å; H165-E169 IonicContact CD2-OE1 2.72Å; H165-E169 PolarHBondContact O-N 3.41Å |
| 166 | E | 88.3 | Confident | 88.6 | Confident | 69 Ų | 69 | 97.6 Ų | 97.6 | 32% | 0.322 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.4 | -39.8 | 178.2 | -162 | 167.5 | 161.1 | 0 | 0 | 111.5 | R162 L170 | R162-E166 IonicContact CZ-OE2 3.5Å; R162-E166 VanDerWaalsContact CZ-OE2 3.24Å; R162-E166 IonicContact NE-OE2 3.43Å; R162-E166 PolarHBondContact NE-OE2 2.95Å; R162-E166 IonicContact NH2-OE1 3.83Å; R162-E166 PolarHBondContact NH2-OE1 2.78Å; R162-E166 IonicContact NH2-OE2 2.71Å; R162-E166 PolarHBondContact NH2-OE2 3.44Å; R162-E166 WeakPolarHBondContact O-CB 3.2Å; R162-E166 PolarHBondContact O-N 3.12Å; E166-L170 WeakPolarHBondContact O-CB 3.34Å; E166-L170 WeakPolarHBondContact O-CD1 3.33Å; E166-L170 VanDerWaalsContact O-CG 3.22Å; E166-L170 WeakPolarHBondContact O-CG 3.29Å; E166-L170 PolarHBondContact O-N 2.85Å |
| 167 | V | 88.4 | Confident | 88.5 | Confident | 89 Ų | 89 | 98.7 Ų | 98.7 | 54% | 0.539 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.4 | -39 | 172.1 | 167.2 | 0 | 0 | 0 | 0 | 112.6 | L163 H165 T171 | L163-V167 WeakPolarHBondContact O-CB 3.42Å; L163-V167 VanDerWaalsContact O-CG2 3.26Å; L163-V167 WeakPolarHBondContact O-CG2 3.46Å; L163-V167 PolarHBondContact O-N 3.24Å; H165-V167 VanDerWaalsContact C-N 3.29Å; H165-V167 PolarHBondContact O-N 2.8Å; V167-T171 WeakPolarHBondContact O-CB 3.48Å; V167-T171 PolarHBondContact O-N 3.1Å; V167-T171 PolarHBondContact O-OG1 3.41Å |
| 168 | I | 89.5 | Confident | 88.7 | Confident | 108 Ų | 108 | 102 Ų | 102 | 55% | 0.554 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.6 | -44.1 | 179 | -69.6 | 164.4 | 0 | 0 | 0 | 110.6 | Q164 H165 T171 A172 | Q164-I168 WeakPolarHBondContact O-CD1 3.4Å; Q164-I168 VanDerWaalsContact O-CG1 3.28Å; Q164-I168 WeakPolarHBondContact O-CG1 3.46Å; Q164-I168 PolarHBondContact O-N 3.34Å; H165-I168 WeakPolarHBondContact O-CA 3.4Å; H165-I168 WeakPolarHBondContact O-CB 3.27Å; H165-I168 PolarHBondContact O-N 3.01Å; I168-T171 PolarHBondContact O-N 2.9Å; I168-A172 PolarHBondContact O-N 3.21Å |
| 169 | E | 88.2 | Confident | 88.6 | Confident | 123 Ų | 123 | 99.5 Ų | 99.5 | 58% | 0.575 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.8 | -47.2 | 176.7 | -69.4 | 177.5 | 156.8 | 0 | 0 | 111.6 | H165 T171 A172 G173 | H165-E169 IonicContact CD2-OE1 2.72Å; H165-E169 PolarHBondContact O-N 3.41Å; E169-T171 PolarHBondContact O-N 3.46Å; E169-A172 PolarHBondContact O-N 2.98Å; E169-G173 PolarHBondContact O-N 2.85Å |
| 170 | L | 88.1 | Confident | 88.7 | Confident | 115 Ų | 115 | 99 Ų | 99 | 60% | 0.602 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63 | -38.6 | 175.3 | -71.2 | 169.8 | 0 | 0 | 0 | 112.5 | E166 G173 I174 | E166-L170 WeakPolarHBondContact O-CB 3.34Å; E166-L170 WeakPolarHBondContact O-CD1 3.33Å; E166-L170 VanDerWaalsContact O-CG 3.22Å; E166-L170 WeakPolarHBondContact O-CG 3.29Å; E166-L170 PolarHBondContact O-N 2.85Å; L170-G173 PolarHBondContact O-N 3.45Å; L170-I174 WeakPolarHBondContact O-CG1 3.45Å; L170-I174 PolarHBondContact O-N 2.95Å |
| 171 | T | 90.3 | Very high | 88.6 | Confident | 70 Ų | 70 | 99.4 Ų | 99.4 | 43% | 0.429 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 175.7 | -54.1 | 0 | 0 | 0 | 0 | 111.1 | V167 I168 E169 G173 I174 D175 | V167-T171 WeakPolarHBondContact O-CB 3.48Å; V167-T171 PolarHBondContact O-N 3.1Å; V167-T171 PolarHBondContact O-OG1 3.41Å; I168-T171 PolarHBondContact O-N 2.9Å; E169-T171 PolarHBondContact O-N 3.46Å; T171-G173 VanDerWaalsContact C-N 3.31Å; T171-G173 PolarHBondContact O-N 3.27Å; T171-I174 PolarHBondContact O-N 3.17Å; T171-D175 PolarHBondContact O-N 2.9Å |
| 172 | A | 88.3 | Confident | 88.5 | Confident | 60 Ų | 60 | 98.2 Ų | 98.2 | 50% | 0.496 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.2 | -36 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I168 E169 D175 Q176 | I168-A172 PolarHBondContact O-N 3.21Å; E169-A172 PolarHBondContact O-N 2.98Å; A172-D175 PolarHBondContact O-N 2.87Å; A172-Q176 PolarHBondContact O-N 3.21Å |
| 173 | G | 89.1 | Confident | 88.4 | Confident | 32 Ų | 32 | 93.6 Ų | 93.6 | 33% | 0.33 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E169 L170 T171 Q176 L177 | E169-G173 PolarHBondContact O-N 2.85Å; L170-G173 PolarHBondContact O-N 3.45Å; T171-G173 VanDerWaalsContact C-N 3.31Å; T171-G173 PolarHBondContact O-N 3.27Å; G173-Q176 PolarHBondContact O-N 3.36Å; G173-L177 WeakPolarHBondContact O-CB 3.38Å; G173-L177 WeakPolarHBondContact O-CG 3.24Å; G173-L177 PolarHBondContact O-N 2.85Å |
| 174 | I | 88.5 | Confident | 88.4 | Confident | 92 Ų | 92 | 91.8 Ų | 91.8 | 47% | 0.472 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.2 | -46.2 | 174.9 | -70.6 | 163.7 | 0 | 0 | 0 | 110.9 | L170 T171 Q176 L177 Q178 | L170-I174 WeakPolarHBondContact O-CG1 3.45Å; L170-I174 PolarHBondContact O-N 2.95Å; T171-I174 PolarHBondContact O-N 3.17Å; I174-Q176 PolarHBondContact O-N 3.47Å; I174-L177 PolarHBondContact O-N 3.01Å; I174-Q178 HydrophobicContact CG2-CG 4.49Å; I174-Q178 WeakPolarHBondContact O-CG 3.44Å; I174-Q178 PolarHBondContact O-N 3.15Å |
| 175 | D | 87.5 | Confident | 88.2 | Confident | 82 Ų | 82 | 90.7 Ų | 90.7 | 44% | 0.439 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.9 | -31 | 177.7 | -78.5 | -7.7 | 0 | 0 | 0 | 112.7 | T171 A172 K179 | T171-D175 PolarHBondContact O-N 2.9Å; A172-D175 PolarHBondContact O-N 2.87Å; D175-K179 WeakPolarHBondContact O-CD 3.41Å; D175-K179 VanDerWaalsContact O-CE 3.26Å; D175-K179 WeakPolarHBondContact O-CE 3.29Å; D175-K179 WeakPolarHBondContact O-CG 3.45Å |
| 176 | Q | 87.5 | Confident | 88.1 | Confident | 84 Ų | 84 | 90.6 Ų | 90.6 | 39% | 0.393 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -75.3 | -48.7 | 174.3 | -174.8 | 52.7 | 38 | 0 | 0 | 111.5 | A172 G173 I174 Q178 K179 D180 | A172-Q176 PolarHBondContact O-N 3.21Å; G173-Q176 PolarHBondContact O-N 3.36Å; I174-Q176 PolarHBondContact O-N 3.47Å; Q176-Q178 PolarHBondContact O-N 3.19Å; Q176-K179 WeakPolarHBondContact O-CB 3.4Å; Q176-K179 PolarHBondContact O-N 3.03Å; Q176-D180 PolarHBondContact NE2-OD1 3.41Å; Q176-D180 PolarHBondContact NE2-OD2 3.41Å; Q176-D180 PolarHBondContact O-N 3.4Å |
| 177 | L | 87.4 | Confident | 88 | Confident | 121 Ų | 121 | 89.4 Ų | 89.4 | 63% | 0.634 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -58.1 | -33.2 | 176.3 | -73 | 170 | 0 | 0 | 0 | 112.7 | G173 I174 K181 | G173-L177 WeakPolarHBondContact O-CB 3.38Å; G173-L177 WeakPolarHBondContact O-CG 3.24Å; G173-L177 PolarHBondContact O-N 2.85Å; I174-L177 PolarHBondContact O-N 3.01Å; L177-K181 WeakPolarHBondContact O-CB 3.39Å; L177-K181 PolarHBondContact O-N 2.85Å |
| 178 | Q | 88.2 | Confident | 87.8 | Confident | 120 Ų | 120 | 87.7 Ų | 87.7 | 56% | 0.561 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.4 | -38 | 173.6 | -74.6 | -176.4 | 32.6 | 0 | 0 | 113 | I174 Q176 H182 | I174-Q178 HydrophobicContact CG2-CG 4.49Å; I174-Q178 WeakPolarHBondContact O-CG 3.44Å; I174-Q178 PolarHBondContact O-N 3.15Å; Q176-Q178 PolarHBondContact O-N 3.19Å; Q178-H182 WeakPolarHBondContact O-CB 3.25Å; Q178-H182 PolarHBondContact O-N 3.5Å |
| 179 | K | 88.8 | Confident | 87.7 | Confident | 122 Ų | 122 | 88.7 Ų | 88.7 | 53% | 0.53 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68 | -45.9 | 175.7 | -65.1 | 161.1 | -162.6 | 155 | 0 | 111 | D175 Q176 H182 A183 | D175-K179 WeakPolarHBondContact O-CD 3.41Å; D175-K179 VanDerWaalsContact O-CE 3.26Å; D175-K179 WeakPolarHBondContact O-CE 3.29Å; D175-K179 WeakPolarHBondContact O-CG 3.45Å; Q176-K179 WeakPolarHBondContact O-CB 3.4Å; Q176-K179 PolarHBondContact O-N 3.03Å; K179-H182 PolarHBondContact O-N 3.25Å; K179-A183 PolarHBondContact O-N 3.29Å |
| 180 | D | 88.1 | Confident | 87.6 | Confident | 81 Ų | 81 | 90.5 Ų | 90.5 | 43% | 0.433 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.9 | -39.4 | -178.6 | -62.8 | -31.2 | 0 | 0 | 0 | 111 | Q176 A183 A184 | Q176-D180 PolarHBondContact NE2-OD1 3.41Å; Q176-D180 PolarHBondContact NE2-OD2 3.41Å; Q176-D180 PolarHBondContact O-N 3.4Å; D180-A183 PolarHBondContact O-N 2.87Å; D180-A184 PolarHBondContact O-N 2.87Å |
| 181 | K | 89.8 | Confident | 87.4 | Confident | 121 Ų | 121 | 91.5 Ų | 91.5 | 53% | 0.526 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -56.5 | -50.8 | 168.5 | -176.1 | -164.6 | 162.8 | -159.8 | 0 | 111.4 | L177 A183 A184 E185 | L177-K181 WeakPolarHBondContact O-CB 3.39Å; L177-K181 PolarHBondContact O-N 2.85Å; K181-A183 VanDerWaalsContact C-N 3.28Å; K181-A183 PolarHBondContact O-N 2.92Å; K181-A184 WeakPolarHBondContact O-CB 3.31Å; K181-A184 PolarHBondContact O-N 3.42Å; K181-A184 VanDerWaalsContact O-N 3.1Å; K181-E185 WeakPolarHBondContact CE-OE1 3.35Å; K181-E185 IonicContact NZ-OE1 2.89Å; K181-E185 PolarHBondContact NZ-OE1 3.47Å; K181-E185 IonicContact NZ-OE2 2.78Å; K181-E185 PolarHBondContact O-N 2.88Å |
| 182 | H | 87.6 | Confident | 87.2 | Confident | 94 Ų | 94 | 93 Ų | 93 | 44% | 0.435 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.9 | -30.4 | -177.5 | -174.2 | 55.4 | 0 | 0 | 0 | 113.1 | Q178 K179 E185 K186 | Q178-H182 WeakPolarHBondContact O-CB 3.25Å; Q178-H182 PolarHBondContact O-N 3.5Å; K179-H182 PolarHBondContact O-N 3.25Å; H182-E185 IonicContact ND1-OE2 2.58Å; H182-K186 WeakPolarHBondContact NE2-CE 3.38Å; H182-K186 PolarHBondContact NE2-NZ 3.25Å; H182-K186 PolarHBondContact O-N 2.97Å |
| 183 | A | 87.5 | Confident | 87.1 | Confident | 61 Ų | 61 | 92.2 Ų | 92.2 | 50% | 0.504 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.1 | -41.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K179 D180 K181 K186 A187 | K179-A183 PolarHBondContact O-N 3.29Å; D180-A183 PolarHBondContact O-N 2.87Å; K181-A183 VanDerWaalsContact C-N 3.28Å; K181-A183 PolarHBondContact O-N 2.92Å; A183-K186 PolarHBondContact O-N 3.34Å; A183-A187 PolarHBondContact O-N 2.88Å |
| 184 | A | 86.2 | Confident | 86.8 | Confident | 59 Ų | 59 | 92.7 Ų | 92.7 | 49% | 0.488 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D180 K181 A187 A188 | D180-A184 PolarHBondContact O-N 2.87Å; K181-A184 WeakPolarHBondContact O-CB 3.31Å; K181-A184 PolarHBondContact O-N 3.42Å; K181-A184 VanDerWaalsContact O-N 3.1Å; A184-A187 PolarHBondContact O-N 2.86Å; A184-A188 PolarHBondContact O-N 3.32Å |
| 185 | E | 86.2 | Confident | 86.6 | Confident | 83 Ų | 83 | 91 Ų | 91 | 39% | 0.388 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.3 | -48.8 | 174.2 | -74.2 | 173 | 145.7 | 0 | 0 | 111 | K181 H182 A187 A188 E189 | K181-E185 WeakPolarHBondContact CE-OE1 3.35Å; K181-E185 IonicContact NZ-OE1 2.89Å; K181-E185 PolarHBondContact NZ-OE1 3.47Å; K181-E185 IonicContact NZ-OE2 2.78Å; K181-E185 PolarHBondContact O-N 2.88Å; H182-E185 IonicContact ND1-OE2 2.58Å; E185-A187 VanDerWaalsContact C-N 3.31Å; E185-A187 PolarHBondContact O-N 2.95Å; E185-A188 WeakPolarHBondContact O-CB 3.26Å; E185-A188 PolarHBondContact O-N 3.08Å; E185-A188 VanDerWaalsContact O-N 3.17Å; E185-E189 WeakPolarHBondContact O-CG 3.36Å; E185-E189 PolarHBondContact O-N 2.87Å |
| 186 | K | 87.3 | Confident | 86.5 | Confident | 117 Ų | 117 | 94.2 Ų | 94.2 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.4 | -32.6 | 175.8 | -78 | 176.2 | 170.8 | 164.3 | 0 | 113.9 | H182 A183 K190 | H182-K186 WeakPolarHBondContact NE2-CE 3.38Å; H182-K186 PolarHBondContact NE2-NZ 3.25Å; H182-K186 PolarHBondContact O-N 2.97Å; A183-K186 PolarHBondContact O-N 3.34Å; K186-K190 WeakPolarHBondContact O-CB 3.4Å; K186-K190 PolarHBondContact O-N 3.44Å |
| 187 | A | 86.6 | Confident | 86.4 | Confident | 44 Ų | 44 | 97 Ų | 97 | 36% | 0.364 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.9 | -44.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | A183 A184 E185 K190 H191 | A183-A187 PolarHBondContact O-N 2.88Å; A184-A187 PolarHBondContact O-N 2.86Å; E185-A187 VanDerWaalsContact C-N 3.31Å; E185-A187 PolarHBondContact O-N 2.95Å; A187-K190 PolarHBondContact O-N 3.37Å; A187-H191 PolarHBondContact O-CD2 3.28Å; A187-H191 PolarHBondContact O-N 2.92Å |
| 188 | A | 83.9 | Confident | 86.2 | Confident | 53 Ų | 53 | 96.8 Ų | 96.8 | 44% | 0.438 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61 | -48.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | A184 E185 K190 H191 E192 | A184-A188 PolarHBondContact O-N 3.32Å; E185-A188 WeakPolarHBondContact O-CB 3.26Å; E185-A188 PolarHBondContact O-N 3.08Å; E185-A188 VanDerWaalsContact O-N 3.17Å; A188-K190 VanDerWaalsContact C-N 3.28Å; A188-K190 PolarHBondContact O-N 3Å; A188-H191 PolarHBondContact O-N 3.34Å; A188-H191 VanDerWaalsContact O-N 3.09Å; A188-E192 PolarHBondContact O-N 3.37Å |
| 189 | E | 86.6 | Confident | 86.1 | Confident | 129 Ų | 129 | 96 Ų | 96 | 60% | 0.603 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -53.6 | -44.2 | 175.1 | -72.1 | 176.3 | 161.9 | 0 | 0 | 112.2 | E185 E192 A193 | E185-E189 WeakPolarHBondContact O-CG 3.36Å; E185-E189 PolarHBondContact O-N 2.87Å; E189-E192 PolarHBondContact O-N 3.4Å; E189-A193 PolarHBondContact O-N 3.22Å |
| 190 | K | 85.4 | Confident | 86.1 | Confident | 161 Ų | 161 | 94.9 Ų | 94.9 | 70% | 0.7 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66 | -39.4 | 177.7 | -173.7 | -178.3 | 178.4 | -175.2 | 0 | 112.5 | K186 A187 A188 A193 A194 | K186-K190 WeakPolarHBondContact O-CB 3.4Å; K186-K190 PolarHBondContact O-N 3.44Å; A187-K190 PolarHBondContact O-N 3.37Å; A188-K190 VanDerWaalsContact C-N 3.28Å; A188-K190 PolarHBondContact O-N 3Å; K190-A193 PolarHBondContact O-N 3.13Å; K190-A194 PolarHBondContact O-N 3.36Å; K190-A194 VanDerWaalsContact O-N 3.11Å |
| 191 | H | 84.6 | Confident | 86 | Confident | 135 Ų | 135 | 99.9 Ų | 99.9 | 63% | 0.625 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -71.2 | -36.6 | 177.1 | -74.4 | -61.5 | 0 | 0 | 0 | 112.4 | A187 A188 A194 A195 | A187-H191 PolarHBondContact O-CD2 3.28Å; A187-H191 PolarHBondContact O-N 2.92Å; A188-H191 PolarHBondContact O-N 3.34Å; A188-H191 VanDerWaalsContact O-N 3.09Å; H191-A194 PolarHBondContact O-N 3.36Å; H191-A195 WeakPolarHBondContact O-CB 3.29Å; H191-A195 PolarHBondContact O-N 2.83Å |
| 192 | E | 86.1 | Confident | 85.7 | Confident | 101 Ų | 101 | 97.8 Ų | 97.8 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 171.1 | -72.2 | -166.4 | 178.3 | 0 | 0 | 112.4 | A188 E189 A195 R196 | A188-E192 PolarHBondContact O-N 3.37Å; E189-E192 PolarHBondContact O-N 3.4Å; E192-A195 PolarHBondContact O-N 2.91Å; E192-R196 WeakPolarHBondContact O-CG 3.23Å; E192-R196 PolarHBondContact O-N 2.96Å; E192-R196 IonicContact OE2-CZ 2.63Å; E192-R196 VanDerWaalsContact OE2-CZ 3.24Å; E192-R196 IonicContact OE2-NH1 3.43Å; E192-R196 PolarHBondContact OE2-NH1 2.89Å; E192-R196 IonicContact OE2-NH2 3.24Å; E192-R196 PolarHBondContact OE2-NH2 2.86Å |
| 193 | A | 85.8 | Confident | 85.7 | Confident | 44 Ų | 44 | 96.5 Ų | 96.5 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.9 | -48.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | E189 K190 A195 R196 E197 | E189-A193 PolarHBondContact O-N 3.22Å; K190-A193 PolarHBondContact O-N 3.13Å; A193-A195 VanDerWaalsContact C-N 3.32Å; A193-A195 PolarHBondContact O-N 3.41Å; A193-R196 PolarHBondContact O-N 3.46Å; A193-E197 PolarHBondContact O-N 3.13Å |
| 194 | A | 83.1 | Confident | 85.6 | Confident | 42 Ų | 42 | 97.4 Ų | 97.4 | 35% | 0.347 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.7 | -37.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K190 H191 E197 L198 | K190-A194 PolarHBondContact O-N 3.36Å; K190-A194 VanDerWaalsContact O-N 3.11Å; H191-A194 PolarHBondContact O-N 3.36Å; A194-E197 PolarHBondContact O-N 3.21Å; A194-L198 WeakPolarHBondContact O-CB 3.28Å; A194-L198 WeakPolarHBondContact O-CG 3.46Å; A194-L198 PolarHBondContact O-N 3.48Å |
| 195 | A | 83.4 | Confident | 85.4 | Confident | 58 Ų | 58 | 99.6 Ų | 99.6 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | H191 E192 A193 L198 Q199 | H191-A195 WeakPolarHBondContact O-CB 3.29Å; H191-A195 PolarHBondContact O-N 2.83Å; E192-A195 PolarHBondContact O-N 2.91Å; A193-A195 VanDerWaalsContact C-N 3.32Å; A193-A195 PolarHBondContact O-N 3.41Å; A195-L198 PolarHBondContact O-N 2.93Å; A195-Q199 PolarHBondContact O-N 3.29Å |
| 196 | R | 86.5 | Confident | 85.3 | Confident | 148 Ų | 148 | 98.9 Ų | 98.9 | 56% | 0.558 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.1 | -41.8 | 174.8 | -70.1 | 169.4 | -177.4 | 124.3 | 11.3 | 111.8 | E192 A193 Q199 N200 | E192-R196 WeakPolarHBondContact O-CG 3.23Å; E192-R196 PolarHBondContact O-N 2.96Å; E192-R196 IonicContact OE2-CZ 2.63Å; E192-R196 VanDerWaalsContact OE2-CZ 3.24Å; E192-R196 IonicContact OE2-NH1 3.43Å; E192-R196 PolarHBondContact OE2-NH1 2.89Å; E192-R196 IonicContact OE2-NH2 3.24Å; E192-R196 PolarHBondContact OE2-NH2 2.86Å; A193-R196 PolarHBondContact O-N 3.46Å; R196-Q199 PolarHBondContact O-N 3.42Å; R196-N200 VanDerWaalsContact O-CG 3.25Å; R196-N200 PolarHBondContact O-N 3.07Å; R196-N200 VanDerWaalsContact O-N 3.08Å; R196-N200 PolarHBondContact O-ND2 2.84Å |
| 197 | E | 85.2 | Confident | 85.2 | Confident | 142 Ų | 142 | 98.8 Ų | 98.8 | 66% | 0.664 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.8 | -42.9 | 174.2 | -73.4 | -178.2 | 178.7 | 0 | 0 | 112.4 | A193 A194 R201 | A193-E197 PolarHBondContact O-N 3.13Å; A194-E197 PolarHBondContact O-N 3.21Å; E197-R201 WeakPolarHBondContact O-CB 3.04Å; E197-R201 PolarHBondContact O-N 3.38Å; E197-R201 VanDerWaalsContact O-N 3.15Å |
| 198 | L | 82.5 | Confident | 85.2 | Confident | 117 Ų | 117 | 101 Ų | 101 | 61% | 0.613 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.1 | -42 | 176.4 | -73.9 | 170 | 0 | 0 | 0 | 112.2 | A194 A195 R201 V202 | A194-L198 WeakPolarHBondContact O-CB 3.28Å; A194-L198 WeakPolarHBondContact O-CG 3.46Å; A194-L198 PolarHBondContact O-N 3.48Å; A195-L198 PolarHBondContact O-N 2.93Å; L198-R201 PolarHBondContact O-N 2.87Å; L198-V202 WeakPolarHBondContact O-CG2 3.48Å; L198-V202 PolarHBondContact O-N 3.45Å |
| 199 | Q | 86.9 | Confident | 85 | Confident | 104 Ų | 104 | 104.2 Ų | 104.2 | 49% | 0.486 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.2 | -51.5 | 176.9 | -178.4 | 59.3 | 52.1 | 0 | 0 | 111.5 | A195 R196 R201 V202 D203 | A195-Q199 PolarHBondContact O-N 3.29Å; R196-Q199 PolarHBondContact O-N 3.42Å; Q199-R201 PolarHBondContact O-N 3.03Å; Q199-V202 WeakPolarHBondContact O-CB 3.26Å; Q199-V202 PolarHBondContact O-N 2.78Å; Q199-D203 PolarHBondContact NE2-OD1 3.36Å; Q199-D203 PolarHBondContact NE2-OD2 3.19Å; Q199-D203 PolarHBondContact O-N 3.28Å |
| 200 | N | 88.3 | Confident | 84.9 | Confident | 98 Ų | 98 | 102.4 Ų | 102.4 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -54.4 | -40 | 177.1 | -67.5 | -15.8 | 0 | 0 | 0 | 111.4 | R196 D203 D204 | R196-N200 VanDerWaalsContact O-CG 3.25Å; R196-N200 PolarHBondContact O-N 3.07Å; R196-N200 VanDerWaalsContact O-N 3.08Å; R196-N200 PolarHBondContact O-ND2 2.84Å; N200-D203 PolarHBondContact O-N 3.49Å; N200-D204 PolarHBondContact O-N 3.25Å |
| 201 | R | 87.7 | Confident | 84.9 | Confident | 186 Ų | 186 | 98.6 Ų | 98.6 | 70% | 0.702 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -71.5 | -30.6 | -179.5 | -155.1 | 169.2 | -163.5 | 132.1 | 5.8 | 113.2 | E197 L198 Q199 L205 | E197-R201 WeakPolarHBondContact O-CB 3.04Å; E197-R201 PolarHBondContact O-N 3.38Å; E197-R201 VanDerWaalsContact O-N 3.15Å; L198-R201 PolarHBondContact O-N 2.87Å; Q199-R201 PolarHBondContact O-N 3.03Å; R201-L205 WeakPolarHBondContact O-CB 3.45Å; R201-L205 WeakPolarHBondContact O-CD1 3.42Å; R201-L205 VanDerWaalsContact O-CG 3.23Å; R201-L205 WeakPolarHBondContact O-CG 3.3Å; R201-L205 PolarHBondContact O-N 2.9Å; R201-L205 VanDerWaalsContact O-N 3.09Å |
| 202 | V | 82.6 | Confident | 84.8 | Confident | 77 Ų | 77 | 97.2 Ų | 97.2 | 47% | 0.467 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.9 | -41.8 | 170 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | L198 Q199 D204 L205 T206 | L198-V202 WeakPolarHBondContact O-CG2 3.48Å; L198-V202 PolarHBondContact O-N 3.45Å; Q199-V202 WeakPolarHBondContact O-CB 3.26Å; Q199-V202 PolarHBondContact O-N 2.78Å; V202-D204 PolarHBondContact O-N 3.49Å; V202-L205 PolarHBondContact O-N 3.48Å; V202-T206 WeakPolarHBondContact O-CB 3.13Å; V202-T206 PolarHBondContact O-N 2.76Å; V202-T206 PolarHBondContact O-OG1 2.78Å |
| 203 | D | 87.1 | Confident | 84.5 | Confident | 67 Ų | 67 | 94.3 Ų | 94.3 | 36% | 0.358 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 179 | -62.7 | -24.8 | 0 | 0 | 0 | 111.6 | Q199 N200 T206 K207 | Q199-D203 PolarHBondContact NE2-OD1 3.36Å; Q199-D203 PolarHBondContact NE2-OD2 3.19Å; Q199-D203 PolarHBondContact O-N 3.28Å; N200-D203 PolarHBondContact O-N 3.49Å; D203-T206 WeakPolarHBondContact O-CB 3.15Å; D203-T206 PolarHBondContact O-N 3.46Å; D203-K207 WeakPolarHBondContact O-CG 3.33Å; D203-K207 PolarHBondContact O-N 3.48Å |
| 204 | D | 84.9 | Confident | 84.5 | Confident | 81 Ų | 81 | 97 Ų | 97 | 43% | 0.433 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.3 | -40 | 175.2 | -73 | -22.2 | 0 | 0 | 0 | 113.1 | N200 V202 T206 K207 N208 | N200-D204 PolarHBondContact O-N 3.25Å; V202-D204 PolarHBondContact O-N 3.49Å; D204-T206 PolarHBondContact O-N 3.19Å; D204-K207 PolarHBondContact O-N 2.79Å; D204-K207 IonicContact OD1-NZ 2.76Å; D204-K207 PolarHBondContact OD1-NZ 2.86Å; D204-N208 VanDerWaalsContact O-CG 3.29Å; D204-N208 PolarHBondContact O-N 2.95Å; D204-N208 PolarHBondContact O-ND2 2.89Å |
| 205 | L | 83.5 | Confident | 84.6 | Confident | 104 Ų | 104 | 100.3 Ų | 100.3 | 55% | 0.545 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.6 | -34.5 | 171.5 | -75.8 | 169.7 | 0 | 0 | 0 | 112 | R201 V202 N208 L209 | R201-L205 WeakPolarHBondContact O-CB 3.45Å; R201-L205 WeakPolarHBondContact O-CD1 3.42Å; R201-L205 VanDerWaalsContact O-CG 3.23Å; R201-L205 WeakPolarHBondContact O-CG 3.3Å; R201-L205 PolarHBondContact O-N 2.9Å; R201-L205 VanDerWaalsContact O-N 3.09Å; V202-L205 PolarHBondContact O-N 3.48Å; L205-N208 PolarHBondContact O-N 3.44Å; L205-L209 WeakPolarHBondContact O-CB 3.21Å; L205-L209 PolarHBondContact O-N 2.79Å |
| 206 | T | 82.9 | Confident | 84.8 | Confident | 69 Ų | 69 | 105.9 Ų | 105.9 | 42% | 0.423 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70 | -38 | 177.6 | -56.8 | 0 | 0 | 0 | 0 | 111.9 | V202 D203 D204 N210 | V202-T206 WeakPolarHBondContact O-CB 3.13Å; V202-T206 PolarHBondContact O-N 2.76Å; V202-T206 PolarHBondContact O-OG1 2.78Å; D203-T206 WeakPolarHBondContact O-CB 3.15Å; D203-T206 PolarHBondContact O-N 3.46Å; D204-T206 PolarHBondContact O-N 3.19Å; T206-N210 PolarHBondContact O-N 2.91Å; T206-N210 PolarHBondContact O-ND2 3.43Å |
| 207 | K | 86.5 | Confident | 84.7 | Confident | 114 Ų | 114 | 105.3 Ų | 105.3 | 50% | 0.496 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61 | -52.8 | 170.5 | -65 | 163.9 | -156.4 | 161.6 | 0 | 110.8 | D203 D204 L209 N210 D211 | D203-K207 WeakPolarHBondContact O-CG 3.33Å; D203-K207 PolarHBondContact O-N 3.48Å; D204-K207 PolarHBondContact O-N 2.79Å; D204-K207 IonicContact OD1-NZ 2.76Å; D204-K207 PolarHBondContact OD1-NZ 2.86Å; K207-L209 VanDerWaalsContact C-N 3.28Å; K207-L209 PolarHBondContact O-N 3.35Å; K207-N210 WeakPolarHBondContact O-CB 3.25Å; K207-N210 PolarHBondContact O-N 2.85Å; K207-D211 PolarHBondContact O-N 3.48Å |
| 208 | N | 85.1 | Confident | 84.8 | Confident | 91 Ų | 91 | 106 Ų | 106 | 49% | 0.487 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58 | -38.2 | -179.4 | -68.8 | -22.8 | 0 | 0 | 0 | 112.7 | D204 L205 D211 L212 | D204-N208 VanDerWaalsContact O-CG 3.29Å; D204-N208 PolarHBondContact O-N 2.95Å; D204-N208 PolarHBondContact O-ND2 2.89Å; L205-N208 PolarHBondContact O-N 3.44Å; N208-D211 PolarHBondContact O-N 3.3Å; N208-L212 WeakPolarHBondContact O-CB 3.22Å; N208-L212 VanDerWaalsContact O-CG 3.26Å; N208-L212 WeakPolarHBondContact O-CG 3.42Å; N208-L212 PolarHBondContact O-N 3.49Å |
| 209 | L | 81.3 | Confident | 84.8 | Confident | 120 Ų | 120 | 105.6 Ų | 105.6 | 63% | 0.628 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.6 | -40.9 | 174.1 | -90.6 | 167.2 | 0 | 0 | 0 | 113 | L205 K207 A213 | L205-L209 WeakPolarHBondContact O-CB 3.21Å; L205-L209 PolarHBondContact O-N 2.79Å; K207-L209 VanDerWaalsContact C-N 3.28Å; K207-L209 PolarHBondContact O-N 3.35Å; L209-A213 WeakPolarHBondContact O-CB 3.15Å; L209-A213 PolarHBondContact O-N 3.35Å |
| 210 | N | 83.9 | Confident | 84.7 | Confident | 92 Ų | 92 | 106.3 Ų | 106.3 | 49% | 0.492 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 177.2 | -74 | -43.2 | 0 | 0 | 0 | 111.9 | T206 K207 A213 Q214 | T206-N210 PolarHBondContact O-N 2.91Å; T206-N210 PolarHBondContact O-ND2 3.43Å; K207-N210 WeakPolarHBondContact O-CB 3.25Å; K207-N210 PolarHBondContact O-N 2.85Å; N210-A213 PolarHBondContact O-N 2.97Å; N210-Q214 WeakPolarHBondContact O-CG 3.24Å; N210-Q214 PolarHBondContact O-N 2.95Å |
| 211 | D | 85.1 | Confident | 84.6 | Confident | 81 Ų | 81 | 105.4 Ų | 105.4 | 43% | 0.433 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.3 | -42.9 | 177.3 | -69.3 | -24.5 | 0 | 0 | 0 | 111.6 | K207 N208 A213 Q214 Q215 | K207-D211 PolarHBondContact O-N 3.48Å; N208-D211 PolarHBondContact O-N 3.3Å; D211-A213 VanDerWaalsContact C-N 3.33Å; D211-A213 PolarHBondContact O-N 3.21Å; D211-Q214 PolarHBondContact O-N 3.49Å; D211-Q215 WeakPolarHBondContact O-CG 3.31Å; D211-Q215 PolarHBondContact O-N 2.61Å |
| 212 | L | 82.8 | Confident | 84.5 | Confident | 106 Ų | 106 | 101.4 Ų | 101.4 | 56% | 0.555 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63 | -37.1 | 172.8 | -73.8 | 169.8 | 0 | 0 | 0 | 112.4 | N208 Q215 R216 | N208-L212 WeakPolarHBondContact O-CB 3.22Å; N208-L212 VanDerWaalsContact O-CG 3.26Å; N208-L212 WeakPolarHBondContact O-CG 3.42Å; N208-L212 PolarHBondContact O-N 3.49Å; L212-Q215 PolarHBondContact O-N 2.81Å; L212-R216 WeakPolarHBondContact O-CB 3.26Å; L212-R216 PolarHBondContact O-N 3.31Å |
| 213 | A | 79.1 | Confident | 84.5 | Confident | 40 Ų | 40 | 102.5 Ų | 102.5 | 33% | 0.331 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | L209 N210 D211 Q217 | L209-A213 WeakPolarHBondContact O-CB 3.15Å; L209-A213 PolarHBondContact O-N 3.35Å; N210-A213 PolarHBondContact O-N 2.97Å; D211-A213 VanDerWaalsContact C-N 3.33Å; D211-A213 PolarHBondContact O-N 3.21Å; A213-Q217 PolarHBondContact O-N 3.47Å |
| 214 | Q | 86.6 | Confident | 84.4 | Confident | 99 Ų | 99 | 103.5 Ų | 103.5 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.3 | -44.2 | 174 | -71.8 | -176.6 | 47.3 | 0 | 0 | 112.2 | N210 D211 Q217 R218 | N210-Q214 WeakPolarHBondContact O-CG 3.24Å; N210-Q214 PolarHBondContact O-N 2.95Å; D211-Q214 PolarHBondContact O-N 3.49Å; Q214-Q217 PolarHBondContact O-N 3.36Å; Q214-R218 WeakPolarHBondContact O-CG 3.27Å; Q214-R218 PolarHBondContact O-N 3.03Å |
| 215 | Q | 86 | Confident | 84.5 | Confident | 113 Ų | 113 | 102.9 Ų | 102.9 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 176.1 | -73.7 | 176.7 | 12.1 | 0 | 0 | 111.3 | D211 L212 Q217 R218 L219 | D211-Q215 WeakPolarHBondContact O-CG 3.31Å; D211-Q215 PolarHBondContact O-N 2.61Å; L212-Q215 PolarHBondContact O-N 2.81Å; Q215-Q217 VanDerWaalsContact C-N 3.29Å; Q215-Q217 PolarHBondContact O-N 2.86Å; Q215-R218 PolarHBondContact O-N 2.73Å; Q215-L219 WeakPolarHBondContact O-CG 3.32Å; Q215-L219 PolarHBondContact O-N 3.08Å |
| 216 | R | 86.1 | Confident | 84.5 | Confident | 174 Ų | 174 | 103 Ų | 103 | 66% | 0.657 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.4 | -40.7 | 175.4 | -171.8 | -174.3 | 69 | -169.7 | -1.4 | 111.9 | L212 Q220 | L212-R216 WeakPolarHBondContact O-CB 3.26Å; L212-R216 PolarHBondContact O-N 3.31Å; R216-Q220 VanDerWaalsContact O-CB 3.29Å; R216-Q220 WeakPolarHBondContact O-CB 3.33Å; R216-Q220 PolarHBondContact O-N 3.45Å |
| 217 | Q | 85.8 | Confident | 84.6 | Confident | 136 Ų | 136 | 105.3 Ų | 105.3 | 64% | 0.636 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.2 | -36.8 | 178.5 | -171.1 | 172.5 | -1.9 | 0 | 0 | 112.5 | A213 Q214 Q215 V221 | A213-Q217 PolarHBondContact O-N 3.47Å; Q214-Q217 PolarHBondContact O-N 3.36Å; Q215-Q217 VanDerWaalsContact C-N 3.29Å; Q215-Q217 PolarHBondContact O-N 2.86Å; Q217-V221 WeakPolarHBondContact O-CG2 3.39Å; Q217-V221 PolarHBondContact O-N 3.4Å |
| 218 | R | 86.7 | Confident | 84.6 | Confident | 156 Ų | 156 | 105.5 Ų | 105.5 | 59% | 0.589 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.5 | -52.3 | 173.4 | -66.6 | 179.3 | -166.2 | -175.6 | 6.1 | 111.6 | Q214 Q215 Q220 V221 E222 | Q214-R218 WeakPolarHBondContact O-CG 3.27Å; Q214-R218 PolarHBondContact O-N 3.03Å; Q215-R218 PolarHBondContact O-N 2.73Å; R218-Q220 PolarHBondContact O-N 3.38Å; R218-V221 WeakPolarHBondContact O-CA 3.46Å; R218-V221 WeakPolarHBondContact O-CB 3.47Å; R218-V221 PolarHBondContact O-N 3.06Å; R218-E222 WeakPolarHBondContact O-CG 3.17Å; R218-E222 PolarHBondContact O-N 2.99Å |
| 219 | L | 82.1 | Confident | 84.6 | Confident | 109 Ų | 109 | 106.7 Ų | 106.7 | 57% | 0.571 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -57.6 | -33.1 | 177.4 | -69.4 | 168.4 | 0 | 0 | 0 | 112.4 | Q215 N223 | Q215-L219 WeakPolarHBondContact O-CG 3.32Å; Q215-L219 PolarHBondContact O-N 3.08Å; L219-N223 VanDerWaalsContact O-CB 3.23Å; L219-N223 WeakPolarHBondContact O-CB 3.42Å; L219-N223 PolarHBondContact O-N 3.28Å |
| 220 | Q | 84.3 | Confident | 84.6 | Confident | 119 Ų | 119 | 105.2 Ų | 105.2 | 56% | 0.556 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -72 | -31 | 175.4 | -171.7 | 173 | 4.2 | 0 | 0 | 113 | R216 R218 N224 | R216-Q220 VanDerWaalsContact O-CB 3.29Å; R216-Q220 WeakPolarHBondContact O-CB 3.33Å; R216-Q220 PolarHBondContact O-N 3.45Å; R218-Q220 PolarHBondContact O-N 3.38Å; Q220-N224 VanDerWaalsContact O-CG 3.26Å; Q220-N224 PolarHBondContact O-N 3.03Å; Q220-N224 PolarHBondContact O-ND2 3.42Å |
| 221 | V | 86.3 | Confident | 84.7 | Confident | 80 Ų | 80 | 106.5 Ų | 106.5 | 49% | 0.485 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.4 | -49.2 | 170.9 | 173.4 | 0 | 0 | 0 | 0 | 110 | Q217 R218 N223 N224 D225 | Q217-V221 WeakPolarHBondContact O-CG2 3.39Å; Q217-V221 PolarHBondContact O-N 3.4Å; R218-V221 WeakPolarHBondContact O-CA 3.46Å; R218-V221 WeakPolarHBondContact O-CB 3.47Å; R218-V221 PolarHBondContact O-N 3.06Å; V221-N223 VanDerWaalsContact C-N 3.3Å; V221-N223 PolarHBondContact O-N 2.59Å; V221-N224 WeakPolarHBondContact O-CB 3.33Å; V221-N224 PolarHBondContact O-N 2.96Å; V221-D225 PolarHBondContact O-N 3.34Å |
| 222 | E | 85.6 | Confident | 84.7 | Confident | 102 Ų | 102 | 107 Ų | 107 | 48% | 0.477 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -55.9 | -42.8 | 177.6 | -69.1 | 163.2 | -160.7 | 0 | 0 | 111.9 | R218 D225 L226 | R218-E222 WeakPolarHBondContact O-CG 3.17Å; R218-E222 PolarHBondContact O-N 2.99Å; E222-D225 PolarHBondContact O-N 3.22Å; E222-L226 WeakPolarHBondContact O-CB 3.48Å; E222-L226 WeakPolarHBondContact O-CG 3.42Å; E222-L226 PolarHBondContact O-N 2.9Å |
| 223 | N | 83.4 | Confident | 84.8 | Confident | 99 Ų | 99 | 107 Ų | 107 | 53% | 0.529 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 174.9 | -170 | -72.5 | 0 | 0 | 0 | 112.4 | L219 V221 D225 M227 | L219-N223 VanDerWaalsContact O-CB 3.23Å; L219-N223 WeakPolarHBondContact O-CB 3.42Å; L219-N223 PolarHBondContact O-N 3.28Å; V221-N223 VanDerWaalsContact C-N 3.3Å; V221-N223 PolarHBondContact O-N 2.59Å; N223-D225 VanDerWaalsContact C-N 3.28Å; N223-D225 PolarHBondContact O-N 3.4Å; N223-M227 VanDerWaalsContact O-CB 3.32Å; N223-M227 WeakPolarHBondContact O-CB 3.24Å; N223-M227 WeakPolarHBondContact O-CG 3.42Å; N223-M227 PolarHBondContact O-N 3.41Å |
| 224 | N | 85.1 | Confident | 85.1 | Confident | 88 Ų | 88 | 110.2 Ų | 110.2 | 47% | 0.471 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.9 | -30.1 | 176.1 | -76.8 | -41.1 | 0 | 0 | 0 | 112.9 | Q220 V221 K228 | Q220-N224 VanDerWaalsContact O-CG 3.26Å; Q220-N224 PolarHBondContact O-N 3.03Å; Q220-N224 PolarHBondContact O-ND2 3.42Å; V221-N224 WeakPolarHBondContact O-CB 3.33Å; V221-N224 PolarHBondContact O-N 2.96Å; N224-K228 WeakPolarHBondContact O-CE 3.41Å; N224-K228 WeakPolarHBondContact O-CG 3.47Å; N224-K228 PolarHBondContact O-N 2.96Å |
| 225 | D | 86.7 | Confident | 85 | Confident | 68 Ų | 68 | 108.2 Ų | 108.2 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -80.9 | -43.4 | 177.6 | -69.4 | -32.1 | 0 | 0 | 0 | 111.5 | V221 E222 N223 M227 K228 E229 | V221-D225 PolarHBondContact O-N 3.34Å; E222-D225 PolarHBondContact O-N 3.22Å; N223-D225 VanDerWaalsContact C-N 3.28Å; N223-D225 PolarHBondContact O-N 3.4Å; D225-M227 PolarHBondContact O-N 2.77Å; D225-K228 WeakPolarHBondContact O-CA 3.49Å; D225-K228 WeakPolarHBondContact O-CB 3.37Å; D225-K228 PolarHBondContact O-N 3.5Å; D225-K228 IonicContact OD1-NZ 2.72Å; D225-K228 PolarHBondContact OD1-NZ 2.89Å; D225-E229 PolarHBondContact O-N 3.42Å |
| 226 | L | 84 | Confident | 85.1 | Confident | 106 Ų | 106 | 108.5 Ų | 108.5 | 56% | 0.555 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58 | -35.1 | 170.2 | -71.6 | 168.7 | 0 | 0 | 0 | 112.5 | E222 K228 E229 L230 | E222-L226 WeakPolarHBondContact O-CB 3.48Å; E222-L226 WeakPolarHBondContact O-CG 3.42Å; E222-L226 PolarHBondContact O-N 2.9Å; L226-K228 VanDerWaalsContact C-N 3.29Å; L226-K228 PolarHBondContact O-N 3.32Å; L226-E229 PolarHBondContact O-N 3.39Å; L226-L230 VanDerWaalsContact O-CB 3.27Å; L226-L230 WeakPolarHBondContact O-CB 3.29Å; L226-L230 PolarHBondContact O-N 3.4Å |
| 227 | M | 83.4 | Confident | 84.9 | Confident | 118 Ų | 118 | 106.1 Ų | 106.1 | 58% | 0.581 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.7 | -28.4 | 173.6 | -79.7 | -78.4 | -75 | 0 | 0 | 113.2 | N223 D225 H231 | N223-M227 VanDerWaalsContact O-CB 3.32Å; N223-M227 WeakPolarHBondContact O-CB 3.24Å; N223-M227 WeakPolarHBondContact O-CG 3.42Å; N223-M227 PolarHBondContact O-N 3.41Å; D225-M227 PolarHBondContact O-N 2.77Å; M227-H231 PolarHBondContact O-N 3.5Å |
| 228 | K | 87.4 | Confident | 84.8 | Confident | 118 Ų | 118 | 105.8 Ų | 105.8 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -76.1 | -47.7 | 172 | -62.7 | 162 | -163.4 | 164.4 | 0 | 110.6 | N224 D225 L226 L230 H231 D232 | N224-K228 WeakPolarHBondContact O-CE 3.41Å; N224-K228 WeakPolarHBondContact O-CG 3.47Å; N224-K228 PolarHBondContact O-N 2.96Å; D225-K228 WeakPolarHBondContact O-CA 3.49Å; D225-K228 WeakPolarHBondContact O-CB 3.37Å; D225-K228 PolarHBondContact O-N 3.5Å; D225-K228 IonicContact OD1-NZ 2.72Å; D225-K228 PolarHBondContact OD1-NZ 2.89Å; L226-K228 VanDerWaalsContact C-N 3.29Å; L226-K228 PolarHBondContact O-N 3.32Å; K228-L230 PolarHBondContact O-N 2.86Å; K228-H231 CarbonylContact O-C 3.52Å; K228-H231 WeakPolarHBondContact O-CA 3.41Å; K228-H231 WeakPolarHBondContact O-CB 3.45Å; K228-H231 PolarHBondContact O-N 3.37Å; K228-D232 PolarHBondContact O-N 2.95Å |
| 229 | E | 84.4 | Confident | 84.7 | Confident | 116 Ų | 116 | 103 Ų | 103 | 54% | 0.542 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -56.2 | -41.6 | 176.6 | -67 | -175 | 164.4 | 0 | 0 | 111.3 | D225 L226 H231 D232 I233 | D225-E229 PolarHBondContact O-N 3.42Å; L226-E229 PolarHBondContact O-N 3.39Å; E229-H231 VanDerWaalsContact C-N 3.32Å; E229-H231 PolarHBondContact O-N 2.89Å; E229-D232 PolarHBondContact O-N 3.46Å; E229-I233 WeakPolarHBondContact O-CB 3.38Å; E229-I233 WeakPolarHBondContact O-CD1 3.46Å; E229-I233 VanDerWaalsContact O-CG1 3.22Å; E229-I233 WeakPolarHBondContact O-CG1 3.5Å; E229-I233 PolarHBondContact O-N 3.32Å |
| 230 | L | 82.6 | Confident | 84.8 | Confident | 90 Ų | 90 | 103.7 Ų | 103.7 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.6 | -28.4 | 175.5 | -173.5 | 146 | 0 | 0 | 0 | 113.3 | L226 K228 K234 | L226-L230 VanDerWaalsContact O-CB 3.27Å; L226-L230 WeakPolarHBondContact O-CB 3.29Å; L226-L230 PolarHBondContact O-N 3.4Å; K228-L230 PolarHBondContact O-N 2.86Å; L230-K234 HydrophobicContact CD2-CD 4.05Å; L230-K234 VanDerWaalsContact O-CG 3.29Å; L230-K234 WeakPolarHBondContact O-CG 3.12Å; L230-K234 PolarHBondContact O-N 2.91Å |
| 231 | H | 84.9 | Confident | 84.7 | Confident | 119 Ų | 119 | 103.1 Ų | 103.1 | 55% | 0.551 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -73.5 | -47 | 171.5 | -175.4 | 65.6 | 0 | 0 | 0 | 111.3 | M227 K228 E229 I233 K234 V235 | M227-H231 PolarHBondContact O-N 3.5Å; K228-H231 CarbonylContact O-C 3.52Å; K228-H231 WeakPolarHBondContact O-CA 3.41Å; K228-H231 WeakPolarHBondContact O-CB 3.45Å; K228-H231 PolarHBondContact O-N 3.37Å; E229-H231 VanDerWaalsContact C-N 3.32Å; E229-H231 PolarHBondContact O-N 2.89Å; H231-I233 VanDerWaalsContact C-N 3.34Å; H231-I233 PolarHBondContact O-N 3.36Å; H231-K234 WeakPolarHBondContact O-CB 3.4Å; H231-K234 PolarHBondContact O-N 3Å; H231-K234 VanDerWaalsContact O-N 3.12Å; H231-V235 WeakPolarHBondContact O-CG2 3.37Å; H231-V235 PolarHBondContact O-N 3.02Å |
| 232 | D | 85.1 | Confident | 84.7 | Confident | 92 Ų | 92 | 105.4 Ų | 105.4 | 49% | 0.492 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 178.2 | -69.5 | -19.8 | 0 | 0 | 0 | 111.5 | K228 E229 K234 V235 Q236 | K228-D232 PolarHBondContact O-N 2.95Å; E229-D232 PolarHBondContact O-N 3.46Å; D232-K234 PolarHBondContact O-N 2.87Å; D232-V235 PolarHBondContact O-N 3.48Å; D232-Q236 VanDerWaalsContact O-CG 3.31Å; D232-Q236 WeakPolarHBondContact O-CG 3.46Å; D232-Q236 PolarHBondContact O-N 2.91Å |
| 233 | I | 85.7 | Confident | 84.7 | Confident | 105 Ų | 105 | 103.7 Ų | 103.7 | 54% | 0.538 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.9 | -37.9 | 174 | -71.8 | 163.1 | 0 | 0 | 0 | 111.5 | E229 H231 Q236 M237 | E229-I233 WeakPolarHBondContact O-CB 3.38Å; E229-I233 WeakPolarHBondContact O-CD1 3.46Å; E229-I233 VanDerWaalsContact O-CG1 3.22Å; E229-I233 WeakPolarHBondContact O-CG1 3.5Å; E229-I233 PolarHBondContact O-N 3.32Å; H231-I233 VanDerWaalsContact C-N 3.34Å; H231-I233 PolarHBondContact O-N 3.36Å; I233-Q236 PolarHBondContact O-N 2.74Å; I233-M237 WeakPolarHBondContact O-CB 3.24Å; I233-M237 PolarHBondContact O-N 3.38Å |
| 234 | K | 84.3 | Confident | 84.9 | Confident | 107 Ų | 107 | 105.1 Ų | 105.1 | 47% | 0.465 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.8 | -46.4 | 173.7 | -81.3 | 173.4 | 177.4 | 177.1 | 0 | 111.7 | L230 H231 D232 Q236 M237 E238 | L230-K234 HydrophobicContact CD2-CD 4.05Å; L230-K234 VanDerWaalsContact O-CG 3.29Å; L230-K234 WeakPolarHBondContact O-CG 3.12Å; L230-K234 PolarHBondContact O-N 2.91Å; H231-K234 WeakPolarHBondContact O-CB 3.4Å; H231-K234 PolarHBondContact O-N 3Å; H231-K234 VanDerWaalsContact O-N 3.12Å; D232-K234 PolarHBondContact O-N 2.87Å; K234-Q236 VanDerWaalsContact C-N 3.31Å; K234-Q236 PolarHBondContact O-N 2.88Å; K234-M237 PolarHBondContact O-N 3.38Å; K234-M237 VanDerWaalsContact O-N 3.12Å; K234-E238 WeakPolarHBondContact O-CG 3.35Å; K234-E238 PolarHBondContact O-N 3.25Å |
| 235 | V | 85.7 | Confident | 84.8 | Confident | 58 Ų | 58 | 104.6 Ų | 104.6 | 35% | 0.352 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.9 | -39.4 | 176.3 | 174.2 | 0 | 0 | 0 | 0 | 111 | H231 D232 N239 | H231-V235 WeakPolarHBondContact O-CG2 3.37Å; H231-V235 PolarHBondContact O-N 3.02Å; D232-V235 PolarHBondContact O-N 3.48Å; V235-N239 WeakPolarHBondContact O-CB 3.3Å; V235-N239 PolarHBondContact O-N 2.91Å; V235-N239 VanDerWaalsContact O-N 3.08Å; V235-N239 PolarHBondContact O-ND2 2.98Å |
| 236 | Q | 87.4 | Confident | 84.8 | Confident | 119 Ų | 119 | 105.8 Ų | 105.8 | 56% | 0.556 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64 | -41.7 | 172.6 | -72.2 | 175.1 | 31.2 | 0 | 0 | 112.3 | D232 I233 K234 N239 L240 | D232-Q236 VanDerWaalsContact O-CG 3.31Å; D232-Q236 WeakPolarHBondContact O-CG 3.46Å; D232-Q236 PolarHBondContact O-N 2.91Å; I233-Q236 PolarHBondContact O-N 2.74Å; K234-Q236 VanDerWaalsContact C-N 3.31Å; K234-Q236 PolarHBondContact O-N 2.88Å; Q236-N239 PolarHBondContact O-N 3.17Å; Q236-L240 WeakPolarHBondContact O-CB 3.34Å; Q236-L240 VanDerWaalsContact O-CG 3.31Å; Q236-L240 WeakPolarHBondContact O-CG 3.3Å; Q236-L240 PolarHBondContact O-N 3.45Å |
| 237 | M | 81.6 | Confident | 84.8 | Confident | 124 Ų | 124 | 105.4 Ų | 105.4 | 61% | 0.611 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.7 | -40.2 | 178.1 | -171.1 | -177 | 71.5 | 0 | 0 | 112.3 | I233 K234 L240 Q241 | I233-M237 WeakPolarHBondContact O-CB 3.24Å; I233-M237 PolarHBondContact O-N 3.38Å; K234-M237 PolarHBondContact O-N 3.38Å; K234-M237 VanDerWaalsContact O-N 3.12Å; M237-L240 PolarHBondContact O-N 2.99Å; M237-Q241 WeakPolarHBondContact O-CB 3.3Å; M237-Q241 PolarHBondContact O-N 3.05Å |
| 238 | E | 84.1 | Confident | 84.8 | Confident | 129 Ų | 129 | 102.3 Ų | 102.3 | 60% | 0.603 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.6 | -44.7 | 175.1 | -73.5 | 172.8 | -173.4 | 0 | 0 | 111.4 | K234 Q241 H242 | K234-E238 WeakPolarHBondContact O-CG 3.35Å; K234-E238 PolarHBondContact O-N 3.25Å; E238-Q241 PolarHBondContact O-N 3Å; E238-H242 PolarHBondContact O-N 3.45Å |
| 239 | N | 85 | Confident | 84.7 | Confident | 97 Ų | 97 | 102.9 Ų | 102.9 | 52% | 0.519 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 173.7 | -78 | -61.4 | 0 | 0 | 0 | 112.3 | V235 Q236 Q241 H242 V243 | V235-N239 WeakPolarHBondContact O-CB 3.3Å; V235-N239 PolarHBondContact O-N 2.91Å; V235-N239 VanDerWaalsContact O-N 3.08Å; V235-N239 PolarHBondContact O-ND2 2.98Å; Q236-N239 PolarHBondContact O-N 3.17Å; N239-Q241 PolarHBondContact O-N 3.22Å; N239-H242 PolarHBondContact O-N 3.21Å; N239-V243 WeakPolarHBondContact O-CG2 3.18Å; N239-V243 PolarHBondContact O-N 3.24Å |
| 240 | L | 84.8 | Confident | 84.6 | Confident | 123 Ų | 123 | 102.2 Ų | 102.2 | 64% | 0.644 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.4 | -39 | 176.5 | -76.4 | 170.1 | 0 | 0 | 0 | 112.3 | Q236 M237 K244 | Q236-L240 WeakPolarHBondContact O-CB 3.34Å; Q236-L240 VanDerWaalsContact O-CG 3.31Å; Q236-L240 WeakPolarHBondContact O-CG 3.3Å; Q236-L240 PolarHBondContact O-N 3.45Å; M237-L240 PolarHBondContact O-N 2.99Å; L240-K244 VanDerWaalsContact O-CB 3.24Å; L240-K244 WeakPolarHBondContact O-CB 3.3Å; L240-K244 PolarHBondContact O-N 2.99Å |
| 241 | Q | 82.3 | Confident | 84.6 | Confident | 107 Ų | 107 | 102.7 Ų | 102.7 | 50% | 0.5 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.7 | -39.3 | 175.6 | -172.1 | 85.9 | -54.2 | 0 | 0 | 111.1 | M237 E238 N239 K244 T245 | M237-Q241 WeakPolarHBondContact O-CB 3.3Å; M237-Q241 PolarHBondContact O-N 3.05Å; E238-Q241 PolarHBondContact O-N 3Å; N239-Q241 PolarHBondContact O-N 3.22Å; Q241-K244 WeakPolarHBondContact O-CB 3.47Å; Q241-K244 PolarHBondContact O-N 3.42Å; Q241-T245 PolarHBondContact O-N 3Å; Q241-T245 PolarHBondContact O-OG1 3.18Å; Q241-T245 VanDerWaalsContact O-OG1 3.07Å |
| 242 | H | 85.8 | Confident | 84.5 | Confident | 128 Ų | 128 | 101.9 Ų | 101.9 | 59% | 0.593 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.1 | -47 | 175 | -174.1 | 73.6 | 0 | 0 | 0 | 112.2 | E238 N239 K244 T245 Q246 | E238-H242 PolarHBondContact O-N 3.45Å; N239-H242 PolarHBondContact O-N 3.21Å; H242-K244 VanDerWaalsContact C-N 3.28Å; H242-K244 PolarHBondContact O-N 3.05Å; H242-T245 PolarHBondContact O-N 2.89Å; H242-T245 PolarHBondContact O-OG1 3.47Å; H242-Q246 PolarHBondContact O-N 3Å |
| 243 | V | 85.8 | Confident | 84.4 | Confident | 67 Ų | 67 | 102.1 Ų | 102.1 | 41% | 0.406 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.4 | -38.1 | 174.5 | 171.4 | 0 | 0 | 0 | 0 | 111 | N239 Q246 L247 | N239-V243 WeakPolarHBondContact O-CG2 3.18Å; N239-V243 PolarHBondContact O-N 3.24Å; V243-Q246 PolarHBondContact O-N 3.38Å; V243-L247 HydrophobicContact CG1-CD1 3.87Å; V243-L247 HydrophobicContact CG1-CG 4.29Å; V243-L247 WeakPolarHBondContact O-CB 3.23Å; V243-L247 WeakPolarHBondContact O-CG 3.33Å; V243-L247 PolarHBondContact O-N 2.65Å |
| 244 | K | 87.4 | Confident | 84.1 | Confident | 129 Ų | 129 | 99.7 Ų | 99.7 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.4 | -41.6 | 175.8 | 174.1 | -178 | 157.2 | -155.9 | 0 | 112.9 | L240 Q241 H242 A248 | L240-K244 VanDerWaalsContact O-CB 3.24Å; L240-K244 WeakPolarHBondContact O-CB 3.3Å; L240-K244 PolarHBondContact O-N 2.99Å; Q241-K244 WeakPolarHBondContact O-CB 3.47Å; Q241-K244 PolarHBondContact O-N 3.42Å; H242-K244 VanDerWaalsContact C-N 3.28Å; H242-K244 PolarHBondContact O-N 3.05Å; K244-A248 WeakPolarHBondContact O-CB 3.3Å; K244-A248 PolarHBondContact O-N 3.37Å |
| 245 | T | 83.3 | Confident | 84.2 | Confident | 77 Ų | 77 | 101.9 Ų | 101.9 | 47% | 0.472 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 173 | 26.4 | 0 | 0 | 0 | 0 | 111.8 | Q241 H242 A248 Q249 | Q241-T245 PolarHBondContact O-N 3Å; Q241-T245 PolarHBondContact O-OG1 3.18Å; Q241-T245 VanDerWaalsContact O-OG1 3.07Å; H242-T245 PolarHBondContact O-N 2.89Å; H242-T245 PolarHBondContact O-OG1 3.47Å; T245-A248 PolarHBondContact O-N 3.37Å; T245-Q249 WeakPolarHBondContact O-CG 3.49Å; T245-Q249 PolarHBondContact O-N 3.4Å |
| 246 | Q | 85.8 | Confident | 84.1 | Confident | 93 Ų | 93 | 106.1 Ų | 106.1 | 44% | 0.435 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 175.9 | -170 | -179.1 | 22.9 | 0 | 0 | 112 | H242 V243 Q249 Q250 | H242-Q246 PolarHBondContact O-N 3Å; V243-Q246 PolarHBondContact O-N 3.38Å; Q246-Q249 PolarHBondContact O-N 2.84Å; Q246-Q250 WeakPolarHBondContact O-CG 3.25Å; Q246-Q250 PolarHBondContact O-N 3.43Å |
| 247 | L | 84.9 | Confident | 83.9 | Confident | 98 Ų | 98 | 108.1 Ų | 108.1 | 51% | 0.513 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.5 | -35.6 | 175.8 | -72.4 | 171.9 | 0 | 0 | 0 | 112.4 | V243 Q250 L251 | V243-L247 HydrophobicContact CG1-CD1 3.87Å; V243-L247 HydrophobicContact CG1-CG 4.29Å; V243-L247 WeakPolarHBondContact O-CB 3.23Å; V243-L247 WeakPolarHBondContact O-CG 3.33Å; V243-L247 PolarHBondContact O-N 2.65Å; L247-Q250 PolarHBondContact O-N 2.88Å; L247-L251 WeakPolarHBondContact O-CB 3.35Å; L247-L251 PolarHBondContact O-N 2.99Å |
| 248 | A | 83.4 | Confident | 83.8 | Confident | 53 Ų | 53 | 107.1 Ų | 107.1 | 44% | 0.438 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K244 T245 L251 E252 | K244-A248 WeakPolarHBondContact O-CB 3.3Å; K244-A248 PolarHBondContact O-N 3.37Å; T245-A248 PolarHBondContact O-N 3.37Å; A248-L251 PolarHBondContact O-N 3.18Å; A248-E252 PolarHBondContact O-N 2.95Å |
| 249 | Q | 84.5 | Confident | 83.7 | Confident | 130 Ų | 130 | 105.2 Ų | 105.2 | 61% | 0.607 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62 | -45.4 | 173.8 | -72.6 | 171.5 | -20.3 | 0 | 0 | 111.6 | T245 Q246 L251 E252 E253 | T245-Q249 WeakPolarHBondContact O-CG 3.49Å; T245-Q249 PolarHBondContact O-N 3.4Å; Q246-Q249 PolarHBondContact O-N 2.84Å; Q249-L251 VanDerWaalsContact C-N 3.34Å; Q249-L251 PolarHBondContact O-N 3.03Å; Q249-E252 PolarHBondContact O-N 2.65Å; Q249-E253 PolarHBondContact O-N 3.46Å |
| 250 | Q | 82.2 | Confident | 83.6 | Confident | 102 Ų | 102 | 104.4 Ų | 104.4 | 48% | 0.477 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63 | -37.7 | 175.8 | -72.5 | 176.3 | -4.5 | 0 | 0 | 112.8 | Q246 L247 A254 | Q246-Q250 WeakPolarHBondContact O-CG 3.25Å; Q246-Q250 PolarHBondContact O-N 3.43Å; L247-Q250 PolarHBondContact O-N 2.88Å; Q250-A254 VanDerWaalsContact O-CB 3.32Å; Q250-A254 WeakPolarHBondContact O-CB 3.49Å; Q250-A254 PolarHBondContact O-N 2.88Å |
| 251 | L | 82.7 | Confident | 83.2 | Confident | 99 Ų | 99 | 100.9 Ų | 100.9 | 52% | 0.518 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 174.3 | -170.7 | 99 | 0 | 0 | 0 | 111.3 | L247 A248 Q249 A254 R255 | L247-L251 WeakPolarHBondContact O-CB 3.35Å; L247-L251 PolarHBondContact O-N 2.99Å; A248-L251 PolarHBondContact O-N 3.18Å; Q249-L251 VanDerWaalsContact C-N 3.34Å; Q249-L251 PolarHBondContact O-N 3.03Å; L251-A254 PolarHBondContact O-N 3.15Å; L251-R255 WeakPolarHBondContact O-CG 3.29Å; L251-R255 PolarHBondContact O-N 2.93Å |
| 252 | E | 82 | Confident | 83.2 | Confident | 103 Ų | 103 | 99.9 Ų | 99.9 | 48% | 0.481 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -73.8 | -36.9 | 179.5 | -158.4 | 175.5 | 134 | 0 | 0 | 112.4 | A248 Q249 A254 R255 R256 | A248-E252 PolarHBondContact O-N 2.95Å; Q249-E252 PolarHBondContact O-N 2.65Å; E252-A254 VanDerWaalsContact C-N 3.33Å; E252-A254 PolarHBondContact O-N 2.88Å; E252-R255 PolarHBondContact O-N 3.3Å; E252-R256 WeakPolarHBondContact O-CG 3.3Å; E252-R256 PolarHBondContact O-N 3.36Å; E252-R256 IonicContact OE1-CZ 2.71Å; E252-R256 IonicContact OE1-NE 3.27Å; E252-R256 IonicContact OE1-NH2 3.47Å; E252-R256 PolarHBondContact OE1-NH2 2.76Å |
| 253 | E | 83.6 | Confident | 83 | Confident | 97 Ų | 97 | 99.9 Ų | 99.9 | 45% | 0.453 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.9 | -45.2 | 166.6 | -78.8 | -172.7 | -154 | 0 | 0 | 112 | Q249 R255 R256 R257 | Q249-E253 PolarHBondContact O-N 3.46Å; E253-R255 VanDerWaalsContact C-N 3.34Å; E253-R255 PolarHBondContact O-N 3.48Å; E253-R256 PolarHBondContact O-N 2.99Å; E253-R257 WeakPolarHBondContact O-CG 3.37Å; E253-R257 PolarHBondContact O-N 3Å; E253-R257 IonicContact OE2-CZ 3.15Å; E253-R257 IonicContact OE2-NH1 2.71Å; E253-R257 PolarHBondContact OE2-NH1 2.9Å; E253-R257 IonicContact OE2-NH2 2.73Å; E253-R257 PolarHBondContact OE2-NH2 3.25Å |
| 254 | A | 80.7 | Confident | 82.8 | Confident | 53 Ų | 53 | 102.9 Ų | 102.9 | 44% | 0.438 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.2 | -37.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q250 L251 E252 L258 | Q250-A254 VanDerWaalsContact O-CB 3.32Å; Q250-A254 WeakPolarHBondContact O-CB 3.49Å; Q250-A254 PolarHBondContact O-N 2.88Å; L251-A254 PolarHBondContact O-N 3.15Å; E252-A254 VanDerWaalsContact C-N 3.33Å; E252-A254 PolarHBondContact O-N 2.88Å; A254-L258 WeakPolarHBondContact O-CB 3.42Å; A254-L258 PolarHBondContact O-N 3.01Å |
| 255 | R | 85.4 | Confident | 82.7 | Confident | 154 Ų | 154 | 103 Ų | 103 | 58% | 0.581 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.7 | -45.6 | 173.2 | -77.8 | 175.3 | 175.2 | -162.6 | -2.5 | 112.2 | L251 E252 E253 R257 L258 E259 | L251-R255 WeakPolarHBondContact O-CG 3.29Å; L251-R255 PolarHBondContact O-N 2.93Å; E252-R255 PolarHBondContact O-N 3.3Å; E253-R255 VanDerWaalsContact C-N 3.34Å; E253-R255 PolarHBondContact O-N 3.48Å; R255-R257 PolarHBondContact O-N 3.46Å; R255-L258 WeakPolarHBondContact O-CB 3.19Å; R255-L258 PolarHBondContact O-N 3.16Å; R255-L258 VanDerWaalsContact O-N 3.1Å; R255-E259 WeakPolarHBondContact O-CG 3.39Å; R255-E259 PolarHBondContact O-N 2.96Å |
| 256 | R | 83.4 | Confident | 82.6 | Confident | 147 Ų | 147 | 102 Ų | 102 | 56% | 0.555 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.2 | -46.3 | 176.4 | -68.8 | 175.3 | -168.2 | -153.4 | 4.1 | 111.3 | E252 E253 L258 E259 D260 | E252-R256 WeakPolarHBondContact O-CG 3.3Å; E252-R256 PolarHBondContact O-N 3.36Å; E252-R256 IonicContact OE1-CZ 2.71Å; E252-R256 IonicContact OE1-NE 3.27Å; E252-R256 IonicContact OE1-NH2 3.47Å; E252-R256 PolarHBondContact OE1-NH2 2.76Å; E253-R256 PolarHBondContact O-N 2.99Å; R256-L258 VanDerWaalsContact C-N 3.26Å; R256-L258 PolarHBondContact O-N 3.05Å; R256-E259 PolarHBondContact O-N 3.01Å; R256-D260 WeakPolarHBondContact O-CB 3.33Å; R256-D260 VanDerWaalsContact O-CG 3.31Å; R256-D260 PolarHBondContact O-N 2.77Å |
| 257 | R | 83.1 | Confident | 82.5 | Confident | 160 Ų | 160 | 103.3 Ų | 103.3 | 60% | 0.604 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.9 | -34.4 | 173.6 | -69.7 | 176.1 | -171.1 | 125.9 | 14 | 113.1 | E253 R255 A261 | E253-R257 WeakPolarHBondContact O-CG 3.37Å; E253-R257 PolarHBondContact O-N 3Å; E253-R257 IonicContact OE2-CZ 3.15Å; E253-R257 IonicContact OE2-NH1 2.71Å; E253-R257 PolarHBondContact OE2-NH1 2.9Å; E253-R257 IonicContact OE2-NH2 2.73Å; E253-R257 PolarHBondContact OE2-NH2 3.25Å; R255-R257 PolarHBondContact O-N 3.46Å; R257-A261 WeakPolarHBondContact O-CB 3.44Å; R257-A261 PolarHBondContact O-N 3.09Å |
| 258 | L | 80.4 | Confident | 82.2 | Confident | 103 Ų | 103 | 104.7 Ų | 104.7 | 54% | 0.539 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71.4 | -48.9 | 174.4 | -179.1 | 63.6 | 0 | 0 | 0 | 111.5 | A254 R255 R256 D260 A261 E262 | A254-L258 WeakPolarHBondContact O-CB 3.42Å; A254-L258 PolarHBondContact O-N 3.01Å; R255-L258 WeakPolarHBondContact O-CB 3.19Å; R255-L258 PolarHBondContact O-N 3.16Å; R255-L258 VanDerWaalsContact O-N 3.1Å; R256-L258 VanDerWaalsContact C-N 3.26Å; R256-L258 PolarHBondContact O-N 3.05Å; L258-D260 VanDerWaalsContact C-N 3.31Å; L258-D260 PolarHBondContact O-N 2.82Å; L258-A261 PolarHBondContact O-N 2.97Å; L258-E262 HydrophobicContact CD1-CG 4.28Å; L258-E262 HydrophobicContact CG-CG 4.48Å; L258-E262 WeakPolarHBondContact O-CG 3.48Å; L258-E262 PolarHBondContact O-N 3.02Å |
| 259 | E | 81.9 | Confident | 82.1 | Confident | 89 Ų | 89 | 107.1 Ų | 107.1 | 42% | 0.416 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.9 | -42.3 | 177.4 | -71.9 | 177.5 | -150.8 | 0 | 0 | 112.2 | R255 R256 E262 R263 | R255-E259 WeakPolarHBondContact O-CG 3.39Å; R255-E259 PolarHBondContact O-N 2.96Å; R256-E259 PolarHBondContact O-N 3.01Å; E259-E262 PolarHBondContact O-N 3.33Å; E259-R263 VanDerWaalsContact O-CG 3.25Å; E259-R263 WeakPolarHBondContact O-CG 3.44Å; E259-R263 PolarHBondContact O-N 3.31Å; E259-R263 IonicContact OE2-CZ 2.69Å; E259-R263 IonicContact OE2-NH1 3.24Å; E259-R263 PolarHBondContact OE2-NH1 3.08Å; E259-R263 IonicContact OE2-NH2 2.76Å; E259-R263 PolarHBondContact OE2-NH2 3.35Å |
| 260 | D | 81.9 | Confident | 81.9 | Confident | 80 Ų | 80 | 106 Ų | 106 | 43% | 0.428 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.5 | -42.4 | 177.8 | -66.7 | -30.4 | 0 | 0 | 0 | 111.3 | R256 L258 E262 R263 E264 | R256-D260 WeakPolarHBondContact O-CB 3.33Å; R256-D260 VanDerWaalsContact O-CG 3.31Å; R256-D260 PolarHBondContact O-N 2.77Å; L258-D260 VanDerWaalsContact C-N 3.31Å; L258-D260 PolarHBondContact O-N 2.82Å; D260-E262 VanDerWaalsContact C-N 3.31Å; D260-E262 PolarHBondContact O-N 2.76Å; D260-R263 WeakPolarHBondContact O-CB 3.49Å; D260-R263 PolarHBondContact O-N 2.65Å; D260-R263 IonicContact OD1-CZ 3.2Å; D260-R263 IonicContact OD1-NH1 2.61Å; D260-R263 PolarHBondContact OD1-NH1 3.36Å; D260-E264 WeakPolarHBondContact O-CG 3.41Å; D260-E264 PolarHBondContact O-N 2.82Å |
| 261 | A | 77.6 | Confident | 81.9 | Confident | 49 Ų | 49 | 106.2 Ų | 106.2 | 41% | 0.405 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.6 | -31.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R257 L258 R265 | R257-A261 WeakPolarHBondContact O-CB 3.44Å; R257-A261 PolarHBondContact O-N 3.09Å; L258-A261 PolarHBondContact O-N 2.97Å; A261-R265 VanDerWaalsContact O-CB 3.27Å; A261-R265 WeakPolarHBondContact O-CB 3.28Å; A261-R265 PolarHBondContact O-N 2.88Å |
| 262 | E | 80.8 | Confident | 81.8 | Confident | 86 Ų | 86 | 106.4 Ų | 106.4 | 40% | 0.402 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -75.7 | -33.5 | 174.1 | -68.1 | -152.8 | 119.3 | 0 | 0 | 112.8 | L258 E259 D260 R265 S266 | L258-E262 HydrophobicContact CD1-CG 4.28Å; L258-E262 HydrophobicContact CG-CG 4.48Å; L258-E262 WeakPolarHBondContact O-CG 3.48Å; L258-E262 PolarHBondContact O-N 3.02Å; E259-E262 PolarHBondContact O-N 3.33Å; D260-E262 VanDerWaalsContact C-N 3.31Å; D260-E262 PolarHBondContact O-N 2.76Å; E262-R265 PolarHBondContact O-N 3.5Å; E262-R265 IonicContact OE1-CZ 2.93Å; E262-R265 IonicContact OE1-NH1 2.74Å; E262-R265 PolarHBondContact OE1-NH1 2.82Å; E262-R265 IonicContact OE1-NH2 3.89Å; E262-R265 PolarHBondContact OE1-NH2 3.44Å; E262-S266 WeakPolarHBondContact O-CB 3.4Å; E262-S266 PolarHBondContact O-N 2.81Å |
| 263 | R | 82.7 | Confident | 81.9 | Confident | 128 Ų | 128 | 106.5 Ų | 106.5 | 48% | 0.483 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -49.6 | 169.2 | -71.6 | 164.5 | -175 | 125.5 | 15 | 110.7 | E259 D260 S266 Q267 | E259-R263 VanDerWaalsContact O-CG 3.25Å; E259-R263 WeakPolarHBondContact O-CG 3.44Å; E259-R263 PolarHBondContact O-N 3.31Å; E259-R263 IonicContact OE2-CZ 2.69Å; E259-R263 IonicContact OE2-NH1 3.24Å; E259-R263 PolarHBondContact OE2-NH1 3.08Å; E259-R263 IonicContact OE2-NH2 2.76Å; E259-R263 PolarHBondContact OE2-NH2 3.35Å; D260-R263 WeakPolarHBondContact O-CB 3.49Å; D260-R263 PolarHBondContact O-N 2.65Å; D260-R263 IonicContact OD1-CZ 3.2Å; D260-R263 IonicContact OD1-NH1 2.61Å; D260-R263 PolarHBondContact OD1-NH1 3.36Å; R263-S266 PolarHBondContact O-N 3.15Å; R263-Q267 WeakPolarHBondContact O-CG 3.42Å; R263-Q267 PolarHBondContact O-N 2.88Å |
| 264 | E | 82.2 | Confident | 81.7 | Confident | 130 Ų | 130 | 107.4 Ų | 107.4 | 61% | 0.607 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.6 | -46.8 | 175 | -73.1 | -178.2 | 172.3 | 0 | 0 | 111.5 | D260 S266 Q267 M268 | D260-E264 WeakPolarHBondContact O-CG 3.41Å; D260-E264 PolarHBondContact O-N 2.82Å; E264-S266 VanDerWaalsContact C-N 3.34Å; E264-S266 PolarHBondContact O-N 2.74Å; E264-Q267 PolarHBondContact O-N 2.93Å; E264-M268 WeakPolarHBondContact O-CB 3.47Å; E264-M268 VanDerWaalsContact O-CG 3.26Å; E264-M268 WeakPolarHBondContact O-CG 3.33Å; E264-M268 PolarHBondContact O-N 3.43Å |
| 265 | R | 84.8 | Confident | 81.6 | Confident | 133 Ų | 133 | 110 Ų | 110 | 50% | 0.502 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.3 | -43.5 | 176.2 | -165.7 | -171.1 | 76.7 | -136.9 | -4 | 111.6 | A261 E262 M268 Q269 | A261-R265 VanDerWaalsContact O-CB 3.27Å; A261-R265 WeakPolarHBondContact O-CB 3.28Å; A261-R265 PolarHBondContact O-N 2.88Å; E262-R265 PolarHBondContact O-N 3.5Å; E262-R265 IonicContact OE1-CZ 2.93Å; E262-R265 IonicContact OE1-NH1 2.74Å; E262-R265 PolarHBondContact OE1-NH1 2.82Å; E262-R265 IonicContact OE1-NH2 3.89Å; E262-R265 PolarHBondContact OE1-NH2 3.44Å; R265-M268 PolarHBondContact O-N 3.29Å; R265-Q269 HydrophobicContact CG-CG 4.42Å; R265-Q269 VanDerWaalsContact NE-OE1 3.16Å; R265-Q269 WeakPolarHBondContact O-CB 3.35Å; R265-Q269 VanDerWaalsContact O-CG 3.26Å; R265-Q269 WeakPolarHBondContact O-CG 3.47Å; R265-Q269 PolarHBondContact O-N 2.93Å |
| 266 | S | 81.1 | Confident | 81.4 | Confident | 55 Ų | 55 | 107 Ų | 107 | 39% | 0.385 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 178.4 | 179.8 | 0 | 0 | 0 | 0 | 112.2 | E262 R263 E264 Q269 N270 | E262-S266 WeakPolarHBondContact O-CB 3.4Å; E262-S266 PolarHBondContact O-N 2.81Å; R263-S266 PolarHBondContact O-N 3.15Å; E264-S266 VanDerWaalsContact C-N 3.34Å; E264-S266 PolarHBondContact O-N 2.74Å; S266-Q269 PolarHBondContact O-N 3.31Å; S266-N270 WeakPolarHBondContact O-CB 3.48Å; S266-N270 PolarHBondContact O-N 2.92Å; S266-N270 PolarHBondContact O-ND2 2.96Å; S266-N270 PolarHBondContact O-OD1 3.44Å |
| 267 | Q | 82.9 | Confident | 81.3 | Confident | 121 Ų | 121 | 104.6 Ų | 104.6 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.2 | -45.9 | 173.9 | -72.2 | 179.3 | 0.1 | 0 | 0 | 111.6 | R263 E264 Q269 N270 Q271 | R263-Q267 WeakPolarHBondContact O-CG 3.42Å; R263-Q267 PolarHBondContact O-N 2.88Å; E264-Q267 PolarHBondContact O-N 2.93Å; Q267-Q269 PolarHBondContact O-N 3.24Å; Q267-N270 PolarHBondContact O-N 3.48Å; Q267-Q271 WeakPolarHBondContact O-CG 3.48Å; Q267-Q271 PolarHBondContact O-N 2.83Å |
| 268 | M | 78.2 | Confident | 81.2 | Confident | 127 Ų | 127 | 102 Ų | 102 | 63% | 0.626 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.4 | -38 | 177.2 | -67.9 | -71.8 | 170.4 | 0 | 0 | 112.4 | E264 R265 L272 | E264-M268 WeakPolarHBondContact O-CB 3.47Å; E264-M268 VanDerWaalsContact O-CG 3.26Å; E264-M268 WeakPolarHBondContact O-CG 3.33Å; E264-M268 PolarHBondContact O-N 3.43Å; R265-M268 PolarHBondContact O-N 3.29Å; M268-L272 VanDerWaalsContact O-CB 3.3Å; M268-L272 WeakPolarHBondContact O-CB 3.49Å; M268-L272 PolarHBondContact O-N 3.1Å |
| 269 | Q | 82.6 | Confident | 81 | Confident | 103 Ų | 103 | 101.6 Ų | 101.6 | 48% | 0.481 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.1 | -39.7 | 175.1 | -74.2 | -179 | -80.8 | 0 | 0 | 111.9 | R265 S266 Q267 L272 H273 | R265-Q269 HydrophobicContact CG-CG 4.42Å; R265-Q269 VanDerWaalsContact NE-OE1 3.16Å; R265-Q269 WeakPolarHBondContact O-CB 3.35Å; R265-Q269 VanDerWaalsContact O-CG 3.26Å; R265-Q269 WeakPolarHBondContact O-CG 3.47Å; R265-Q269 PolarHBondContact O-N 2.93Å; S266-Q269 PolarHBondContact O-N 3.31Å; Q267-Q269 PolarHBondContact O-N 3.24Å; Q269-L272 PolarHBondContact O-N 3.47Å; Q269-H273 WeakPolarHBondContact O-CB 3.42Å; Q269-H273 PolarHBondContact O-N 3.17Å |
| 270 | N | 80.1 | Confident | 80.8 | Confident | 106 Ų | 106 | 101.8 Ų | 101.8 | 57% | 0.567 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.5 | -42.8 | 176.1 | -67.7 | -11.4 | 0 | 0 | 0 | 111.6 | S266 Q267 H273 Q274 | S266-N270 WeakPolarHBondContact O-CB 3.48Å; S266-N270 PolarHBondContact O-N 2.92Å; S266-N270 PolarHBondContact O-ND2 2.96Å; S266-N270 PolarHBondContact O-OD1 3.44Å; Q267-N270 PolarHBondContact O-N 3.48Å; N270-H273 PolarHBondContact O-N 2.95Å; N270-Q274 WeakPolarHBondContact O-CB 3.25Å; N270-Q274 PolarHBondContact O-N 3.4Å |
| 271 | Q | 82.6 | Confident | 80.7 | Confident | 107 Ų | 107 | 101.7 Ų | 101.7 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 174.3 | -73.7 | 175.4 | -0.9 | 0 | 0 | 111.9 | Q267 H273 Q274 I275 | Q267-Q271 WeakPolarHBondContact O-CG 3.48Å; Q267-Q271 PolarHBondContact O-N 2.83Å; Q271-H273 PolarHBondContact O-N 3.11Å; Q271-Q274 PolarHBondContact O-N 3.39Å; Q271-I275 VanDerWaalsContact O-CG1 3.31Å; Q271-I275 WeakPolarHBondContact O-CG1 3.39Å; Q271-I275 PolarHBondContact O-N 3.45Å |
| 272 | L | 80.6 | Confident | 80.6 | Confident | 103 Ų | 103 | 104.1 Ų | 104.1 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 175.1 | -177 | 71.9 | 0 | 0 | 0 | 111.5 | M268 Q269 I275 Q276 | M268-L272 VanDerWaalsContact O-CB 3.3Å; M268-L272 WeakPolarHBondContact O-CB 3.49Å; M268-L272 PolarHBondContact O-N 3.1Å; Q269-L272 PolarHBondContact O-N 3.47Å; L272-I275 PolarHBondContact O-N 2.93Å; L272-Q276 VanDerWaalsContact O-CG 3.29Å; L272-Q276 WeakPolarHBondContact O-CG 3.29Å; L272-Q276 PolarHBondContact O-N 2.84Å |
| 273 | H | 82.5 | Confident | 80.4 | Confident | 105 Ų | 105 | 104.8 Ų | 104.8 | 49% | 0.486 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.7 | -38.3 | -179.9 | -173.4 | 44.2 | 0 | 0 | 0 | 112.4 | Q269 N270 Q271 Q276 L277 | Q269-H273 WeakPolarHBondContact O-CB 3.42Å; Q269-H273 PolarHBondContact O-N 3.17Å; N270-H273 PolarHBondContact O-N 2.95Å; Q271-H273 PolarHBondContact O-N 3.11Å; H273-Q276 WeakPolarHBondContact O-CB 3.41Å; H273-Q276 PolarHBondContact O-N 3.49Å; H273-L277 WeakPolarHBondContact O-CG 3.36Å; H273-L277 PolarHBondContact O-N 2.81Å |
| 274 | Q | 80 | Confident | 80.1 | Confident | 117 Ų | 117 | 101.9 Ų | 101.9 | 55% | 0.547 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.5 | -44.3 | 174.7 | -175.2 | 173.5 | -19.8 | 0 | 0 | 111.7 | N270 Q271 Q276 L277 E278 | N270-Q274 WeakPolarHBondContact O-CB 3.25Å; N270-Q274 PolarHBondContact O-N 3.4Å; Q271-Q274 PolarHBondContact O-N 3.39Å; Q274-Q276 VanDerWaalsContact C-N 3.27Å; Q274-Q276 PolarHBondContact O-N 2.96Å; Q274-L277 PolarHBondContact O-N 2.84Å; Q274-E278 WeakPolarHBondContact CG-OE1 3.26Å; Q274-E278 PolarHBondContact NE2-OE1 3.23Å; Q274-E278 WeakPolarHBondContact O-CG 3.26Å; Q274-E278 PolarHBondContact O-N 2.8Å |
| 275 | I | 78.9 | Confident | 79.7 | Confident | 108 Ų | 108 | 98.3 Ų | 98.3 | 55% | 0.554 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.6 | -33 | 175.1 | -68.4 | 166.6 | 0 | 0 | 0 | 111.5 | Q271 L272 L279 | Q271-I275 VanDerWaalsContact O-CG1 3.31Å; Q271-I275 WeakPolarHBondContact O-CG1 3.39Å; Q271-I275 PolarHBondContact O-N 3.45Å; L272-I275 PolarHBondContact O-N 2.93Å; I275-L279 VanDerWaalsContact O-CB 3.3Å; I275-L279 WeakPolarHBondContact O-CB 3.44Å; I275-L279 PolarHBondContact O-N 3.36Å |
| 276 | Q | 81.1 | Confident | 79.1 | Confident | 90 Ų | 90 | 97.6 Ų | 97.6 | 42% | 0.421 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.3 | -46.3 | 172.4 | -75.2 | 169.8 | -25.5 | 0 | 0 | 111.9 | L272 H273 Q274 E278 L279 D280 | L272-Q276 VanDerWaalsContact O-CG 3.29Å; L272-Q276 WeakPolarHBondContact O-CG 3.29Å; L272-Q276 PolarHBondContact O-N 2.84Å; H273-Q276 WeakPolarHBondContact O-CB 3.41Å; H273-Q276 PolarHBondContact O-N 3.49Å; Q274-Q276 VanDerWaalsContact C-N 3.27Å; Q274-Q276 PolarHBondContact O-N 2.96Å; Q276-E278 VanDerWaalsContact C-N 3.33Å; Q276-E278 PolarHBondContact O-N 3.05Å; Q276-L279 WeakPolarHBondContact O-CB 3.33Å; Q276-L279 PolarHBondContact O-N 3.42Å; Q276-D280 WeakPolarHBondContact O-CB 3.32Å; Q276-D280 VanDerWaalsContact O-CG 3.29Å; Q276-D280 PolarHBondContact O-N 2.81Å |
| 277 | L | 81.9 | Confident | 78.8 | Confident | 97 Ų | 97 | 101.8 Ų | 101.8 | 51% | 0.508 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.7 | -38.7 | 176.2 | -70 | 169.9 | 0 | 0 | 0 | 112.3 | H273 Q274 S281 | H273-L277 WeakPolarHBondContact O-CG 3.36Å; H273-L277 PolarHBondContact O-N 2.81Å; Q274-L277 PolarHBondContact O-N 2.84Å; L277-S281 WeakPolarHBondContact O-CB 3.44Å; L277-S281 PolarHBondContact O-N 3.5Å |
| 278 | E | 80.6 | Confident | 78.3 | Confident | 105 Ų | 105 | 101.9 Ų | 101.9 | 49% | 0.491 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65 | -39.7 | 173.7 | -72.2 | 170.5 | -164.8 | 0 | 0 | 111.6 | Q274 Q276 V282 | Q274-E278 WeakPolarHBondContact CG-OE1 3.26Å; Q274-E278 PolarHBondContact NE2-OE1 3.23Å; Q274-E278 WeakPolarHBondContact O-CG 3.26Å; Q274-E278 PolarHBondContact O-N 2.8Å; Q276-E278 VanDerWaalsContact C-N 3.33Å; Q276-E278 PolarHBondContact O-N 3.05Å; E278-V282 VanDerWaalsContact O-CG2 3.31Å; E278-V282 WeakPolarHBondContact O-CG2 3.47Å; E278-V282 PolarHBondContact O-N 3.27Å; E278-V282 VanDerWaalsContact O-N 3.12Å |
| 279 | L | 76.7 | Confident | 77.9 | Confident | 94 Ų | 94 | 102.7 Ų | 102.7 | 49% | 0.492 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.4 | -48.8 | 175.8 | -179.1 | 65.7 | 0 | 0 | 0 | 112.4 | I275 Q276 S281 V282 Q283 | I275-L279 VanDerWaalsContact O-CB 3.3Å; I275-L279 WeakPolarHBondContact O-CB 3.44Å; I275-L279 PolarHBondContact O-N 3.36Å; Q276-L279 WeakPolarHBondContact O-CB 3.33Å; Q276-L279 PolarHBondContact O-N 3.42Å; L279-S281 VanDerWaalsContact C-N 3.32Å; L279-S281 PolarHBondContact O-N 3.45Å; L279-V282 PolarHBondContact O-N 2.83Å; L279-Q283 WeakPolarHBondContact O-CG 3.31Å; L279-Q283 PolarHBondContact O-N 2.81Å |
| 280 | D | 77.3 | Confident | 77.5 | Confident | 93 Ų | 93 | 100.8 Ų | 100.8 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64 | -39.3 | 179.9 | -67.5 | -12.8 | 0 | 0 | 0 | 110.7 | Q276 V282 Q283 S284 | Q276-D280 WeakPolarHBondContact O-CB 3.32Å; Q276-D280 VanDerWaalsContact O-CG 3.29Å; Q276-D280 PolarHBondContact O-N 2.81Å; D280-V282 PolarHBondContact O-N 3.39Å; D280-Q283 PolarHBondContact O-N 3.32Å; D280-S284 WeakPolarHBondContact O-CB 3.4Å; D280-S284 PolarHBondContact O-N 3.14Å |
| 281 | S | 79.1 | Confident | 77.3 | Confident | 78 Ų | 78 | 98.7 Ų | 98.7 | 55% | 0.545 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.2 | -45.2 | 173 | -179.6 | 0 | 0 | 0 | 0 | 112.3 | L277 L279 A285 | L277-S281 WeakPolarHBondContact O-CB 3.44Å; L277-S281 PolarHBondContact O-N 3.5Å; L279-S281 VanDerWaalsContact C-N 3.32Å; L279-S281 PolarHBondContact O-N 3.45Å; S281-A285 WeakPolarHBondContact O-CB 3.24Å; S281-A285 PolarHBondContact O-N 3.06Å; S281-A285 VanDerWaalsContact O-N 3.11Å |
| 282 | V | 75.5 | Confident | 76.9 | Confident | 100 Ų | 100 | 99 Ų | 99 | 61% | 0.606 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.5 | -34.7 | 179.3 | 169.5 | 0 | 0 | 0 | 0 | 111.5 | E278 L279 D280 L286 | E278-V282 VanDerWaalsContact O-CG2 3.31Å; E278-V282 WeakPolarHBondContact O-CG2 3.47Å; E278-V282 PolarHBondContact O-N 3.27Å; E278-V282 VanDerWaalsContact O-N 3.12Å; L279-V282 PolarHBondContact O-N 2.83Å; D280-V282 PolarHBondContact O-N 3.39Å; V282-L286 WeakPolarHBondContact O-CB 3.4Å; V282-L286 PolarHBondContact O-N 3.38Å; V282-L286 VanDerWaalsContact O-N 3.1Å |
| 283 | Q | 77.3 | Confident | 76.6 | Confident | 100 Ų | 100 | 101.8 Ų | 101.8 | 47% | 0.467 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.9 | -47.4 | 173.9 | -72.5 | -180 | 26.5 | 0 | 0 | 111.7 | L279 D280 A285 L286 E287 | L279-Q283 WeakPolarHBondContact O-CG 3.31Å; L279-Q283 PolarHBondContact O-N 2.81Å; D280-Q283 PolarHBondContact O-N 3.32Å; Q283-A285 VanDerWaalsContact C-N 3.34Å; Q283-A285 PolarHBondContact O-N 3.33Å; Q283-L286 PolarHBondContact O-N 3.49Å; Q283-E287 PolarHBondContact O-N 3.05Å |
| 284 | S | 75.3 | Confident | 76.3 | Confident | 67 Ų | 67 | 101.8 Ų | 101.8 | 47% | 0.469 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 177.5 | -168.8 | 0 | 0 | 0 | 0 | 112 | D280 L286 E287 E288 | D280-S284 WeakPolarHBondContact O-CB 3.4Å; D280-S284 PolarHBondContact O-N 3.14Å; S284-L286 VanDerWaalsContact C-N 3.34Å; S284-L286 PolarHBondContact O-N 2.84Å; S284-E287 PolarHBondContact O-N 3Å; S284-E288 PolarHBondContact O-N 3.23Å |
| 285 | A | 74.1 | Confident | 76 | Confident | 55 Ų | 55 | 101.3 Ų | 101.3 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.8 | -38 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S281 Q283 E289 | S281-A285 WeakPolarHBondContact O-CB 3.24Å; S281-A285 PolarHBondContact O-N 3.06Å; S281-A285 VanDerWaalsContact O-N 3.11Å; Q283-A285 VanDerWaalsContact C-N 3.34Å; Q283-A285 PolarHBondContact O-N 3.33Å; A285-E289 WeakPolarHBondContact O-CB 3.39Å; A285-E289 PolarHBondContact O-N 3.35Å |
| 286 | L | 72.7 | Confident | 75.4 | Confident | 118 Ų | 118 | 98.9 Ų | 98.9 | 62% | 0.618 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.8 | -39.5 | 177.4 | -176.8 | 65.3 | 0 | 0 | 0 | 112.2 | V282 Q283 S284 S290 | V282-L286 WeakPolarHBondContact O-CB 3.4Å; V282-L286 PolarHBondContact O-N 3.38Å; V282-L286 VanDerWaalsContact O-N 3.1Å; Q283-L286 PolarHBondContact O-N 3.49Å; S284-L286 VanDerWaalsContact C-N 3.34Å; S284-L286 PolarHBondContact O-N 2.84Å; L286-S290 WeakPolarHBondContact O-CB 3.41Å; L286-S290 PolarHBondContact O-N 3.02Å; L286-S290 VanDerWaalsContact O-N 3.08Å |
| 287 | E | 75 | Confident | 75 | Confident | 143 Ų | 143 | 99.7 Ų | 99.7 | 67% | 0.668 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.7 | -46.3 | 174.7 | -70.6 | -165.5 | 162.4 | 0 | 0 | 111.4 | Q283 S284 S290 S291 | Q283-E287 PolarHBondContact O-N 3.05Å; S284-E287 PolarHBondContact O-N 3Å; E287-S290 PolarHBondContact O-N 3.39Å; E287-S290 PolarHBondContact O-OG 2.95Å; E287-S291 PolarHBondContact O-N 3.12Å |
| 288 | E | 72.6 | Confident | 74.6 | Confident | 124 Ų | 124 | 101 Ų | 101 | 58% | 0.579 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -58.2 | -51.2 | 176 | -76.3 | -167.7 | 151.1 | 0 | 0 | 112 | S284 S290 S291 L292 | S284-E288 PolarHBondContact O-N 3.23Å; E288-S290 VanDerWaalsContact C-N 3.29Å; E288-S290 PolarHBondContact O-N 2.92Å; E288-S291 PolarHBondContact O-N 2.68Å; E288-S291 VanDerWaalsContact O-N 3.09Å; E288-S291 PolarHBondContact O-OG 3.47Å; E288-L292 WeakPolarHBondContact O-CG 3.45Å; E288-L292 PolarHBondContact O-N 2.92Å |
| 289 | E | 69.5 | Low | 74.2 | Confident | 143 Ų | 143 | 101.9 Ų | 101.9 | 67% | 0.668 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.1 | -38.4 | 179.9 | -165.7 | -177.3 | -129.4 | 0 | 0 | 111.7 | A285 S291 R293 | A285-E289 WeakPolarHBondContact O-CB 3.39Å; A285-E289 PolarHBondContact O-N 3.35Å; E289-S291 VanDerWaalsContact C-N 3.35Å; E289-S291 PolarHBondContact O-N 2.72Å; E289-R293 VanDerWaalsContact O-CB 3.31Å; E289-R293 WeakPolarHBondContact O-CB 3.23Å; E289-R293 PolarHBondContact O-N 2.93Å |
| 290 | S | 75 | Confident | 73.7 | Confident | 63 Ų | 63 | 103 Ų | 103 | 44% | 0.441 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 175.1 | 84 | 0 | 0 | 0 | 0 | 112.6 | L286 E287 E288 N294 | L286-S290 WeakPolarHBondContact O-CB 3.41Å; L286-S290 PolarHBondContact O-N 3.02Å; L286-S290 VanDerWaalsContact O-N 3.08Å; E287-S290 PolarHBondContact O-N 3.39Å; E287-S290 PolarHBondContact O-OG 2.95Å; E288-S290 VanDerWaalsContact C-N 3.29Å; E288-S290 PolarHBondContact O-N 2.92Å; S290-N294 PolarHBondContact O-N 2.88Å; S290-N294 PolarHBondContact O-ND2 3.44Å |
| 291 | S | 75.2 | Confident | 73.5 | Confident | 62 Ų | 62 | 102.4 Ų | 102.4 | 43% | 0.434 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -70.8 | -45.9 | -179.4 | 76.1 | 0 | 0 | 0 | 0 | 111.9 | E287 E288 E289 R293 N294 E295 | E287-S291 PolarHBondContact O-N 3.12Å; E288-S291 PolarHBondContact O-N 2.68Å; E288-S291 VanDerWaalsContact O-N 3.09Å; E288-S291 PolarHBondContact O-OG 3.47Å; E289-S291 VanDerWaalsContact C-N 3.35Å; E289-S291 PolarHBondContact O-N 2.72Å; S291-R293 VanDerWaalsContact C-N 3.32Å; S291-R293 PolarHBondContact O-N 2.97Å; S291-N294 PolarHBondContact O-N 3.5Å; S291-E295 PolarHBondContact O-N 3.23Å |
| 292 | L | 74.1 | Confident | 73.1 | Confident | 113 Ų | 113 | 103.1 Ų | 103.1 | 59% | 0.592 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.1 | -39.3 | 178.8 | -69.7 | 170.9 | 0 | 0 | 0 | 111.5 | E288 E295 A296 | E288-L292 WeakPolarHBondContact O-CG 3.45Å; E288-L292 PolarHBondContact O-N 2.92Å; L292-E295 PolarHBondContact O-N 3.34Å; L292-A296 WeakPolarHBondContact O-CB 3.21Å; L292-A296 PolarHBondContact O-N 2.86Å |
| 293 | R | 75.2 | Confident | 72.6 | Confident | 162 Ų | 162 | 100.4 Ų | 100.4 | 61% | 0.611 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.3 | -47.4 | 174.1 | -179.3 | 179 | 167.5 | -168.2 | -10.6 | 112.1 | E289 S291 E295 A296 E297 | E289-R293 VanDerWaalsContact O-CB 3.31Å; E289-R293 WeakPolarHBondContact O-CB 3.23Å; E289-R293 PolarHBondContact O-N 2.93Å; S291-R293 VanDerWaalsContact C-N 3.32Å; S291-R293 PolarHBondContact O-N 2.97Å; R293-E295 VanDerWaalsContact C-N 3.34Å; R293-E295 PolarHBondContact O-N 3.24Å; R293-A296 PolarHBondContact O-N 3.42Å; R293-E297 IonicContact CZ-OE1 3.24Å; R293-E297 VanDerWaalsContact CZ-OE1 3.25Å; R293-E297 IonicContact NE-OE1 3.68Å; R293-E297 PolarHBondContact NE-OE1 3.24Å; R293-E297 IonicContact NH2-OE1 2.97Å; R293-E297 PolarHBondContact NH2-OE1 3.19Å; R293-E297 PolarHBondContact O-N 2.85Å |
| 294 | N | 74.9 | Confident | 72.3 | Confident | 105 Ų | 105 | 100.3 Ų | 100.3 | 56% | 0.561 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.8 | -39.6 | 179.4 | -73.6 | -39.3 | 0 | 0 | 0 | 112 | S290 S291 H298 | S290-N294 PolarHBondContact O-N 2.88Å; S290-N294 PolarHBondContact O-ND2 3.44Å; S291-N294 PolarHBondContact O-N 3.5Å; N294-H298 PolarHBondContact O-N 2.93Å |
| 295 | E | 73.7 | Confident | 71.9 | Confident | 108 Ų | 108 | 101 Ų | 101 | 51% | 0.505 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 172.6 | -75 | -149.9 | 159.6 | 0 | 0 | 113 | S291 L292 R293 H298 K299 | S291-E295 PolarHBondContact O-N 3.23Å; L292-E295 PolarHBondContact O-N 3.34Å; R293-E295 VanDerWaalsContact C-N 3.34Å; R293-E295 PolarHBondContact O-N 3.24Å; E295-H298 PolarHBondContact O-N 2.87Å; E295-K299 WeakPolarHBondContact O-CB 3.26Å; E295-K299 VanDerWaalsContact O-CG 3.28Å; E295-K299 WeakPolarHBondContact O-CG 3.45Å; E295-K299 PolarHBondContact O-N 2.85Å; E295-K299 WeakPolarHBondContact OE2-CE 3.31Å; E295-K299 IonicContact OE2-NZ 2.81Å; E295-K299 PolarHBondContact OE2-NZ 2.88Å |
| 296 | A | 67.2 | Low | 71.6 | Confident | 57 Ų | 57 | 104 Ų | 104 | 47% | 0.471 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65 | -45.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L292 R293 H298 K299 L300 | L292-A296 WeakPolarHBondContact O-CB 3.21Å; L292-A296 PolarHBondContact O-N 2.86Å; R293-A296 PolarHBondContact O-N 3.42Å; A296-H298 VanDerWaalsContact C-N 3.31Å; A296-H298 PolarHBondContact O-N 2.76Å; A296-K299 PolarHBondContact O-N 3.23Å; A296-L300 WeakPolarHBondContact O-CB 3.36Å; A296-L300 PolarHBondContact O-N 3.47Å |
| 297 | E | 71.7 | Confident | 71.1 | Confident | 107 Ų | 107 | 102.7 Ų | 102.7 | 50% | 0.5 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.9 | -38.9 | 176.4 | -69.8 | -175.1 | -160.7 | 0 | 0 | 111.4 | R293 S301 | R293-E297 IonicContact CZ-OE1 3.24Å; R293-E297 VanDerWaalsContact CZ-OE1 3.25Å; R293-E297 IonicContact NE-OE1 3.68Å; R293-E297 PolarHBondContact NE-OE1 3.24Å; R293-E297 IonicContact NH2-OE1 2.97Å; R293-E297 PolarHBondContact NH2-OE1 3.19Å; R293-E297 PolarHBondContact O-N 2.85Å; E297-S301 PolarHBondContact O-N 3.38Å |
| 298 | H | 73.5 | Confident | 70.4 | Confident | 124 Ų | 124 | 99.1 Ų | 99.1 | 57% | 0.574 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.1 | -47.9 | 175.8 | -176.3 | -93.6 | 0 | 0 | 0 | 113.3 | N294 E295 A296 L300 S301 L302 | N294-H298 PolarHBondContact O-N 2.93Å; E295-H298 PolarHBondContact O-N 2.87Å; A296-H298 VanDerWaalsContact C-N 3.31Å; A296-H298 PolarHBondContact O-N 2.76Å; H298-L300 VanDerWaalsContact C-N 3.3Å; H298-L300 PolarHBondContact O-N 3.03Å; H298-S301 WeakPolarHBondContact O-CB 3.41Å; H298-S301 PolarHBondContact O-N 3.38Å; H298-L302 PolarHBondContact O-N 3.48Å |
| 299 | K | 73.6 | Confident | 70.1 | Confident | 123 Ų | 123 | 99.6 Ų | 99.6 | 54% | 0.535 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.5 | -37.3 | -179.7 | -71.6 | 166.5 | -170.8 | 168.8 | 0 | 111.9 | E295 A296 S301 L302 A303 | E295-K299 WeakPolarHBondContact O-CB 3.26Å; E295-K299 VanDerWaalsContact O-CG 3.28Å; E295-K299 WeakPolarHBondContact O-CG 3.45Å; E295-K299 PolarHBondContact O-N 2.85Å; E295-K299 WeakPolarHBondContact OE2-CE 3.31Å; E295-K299 IonicContact OE2-NZ 2.81Å; E295-K299 PolarHBondContact OE2-NZ 2.88Å; A296-K299 PolarHBondContact O-N 3.23Å; K299-S301 VanDerWaalsContact C-N 3.34Å; K299-S301 PolarHBondContact O-N 2.94Å; K299-L302 PolarHBondContact O-N 3.16Å; K299-A303 PolarHBondContact O-N 2.67Å |
| 300 | L | 65.1 | Low | 69.9 | Low | 119 Ų | 119 | 99.9 Ų | 99.9 | 62% | 0.623 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69.2 | -29.5 | 178.6 | -167.2 | 136.9 | 0 | 0 | 0 | 112.7 | A296 H298 N304 | A296-L300 WeakPolarHBondContact O-CB 3.36Å; A296-L300 PolarHBondContact O-N 3.47Å; H298-L300 VanDerWaalsContact C-N 3.3Å; H298-L300 PolarHBondContact O-N 3.03Å; L300-N304 PolarHBondContact O-N 3.04Å; L300-N304 PolarHBondContact O-ND2 2.86Å |
| 301 | S | 72.3 | Confident | 69.2 | Low | 79 Ų | 79 | 103.4 Ų | 103.4 | 55% | 0.552 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.9 | -50.4 | 173.6 | -173.8 | 0 | 0 | 0 | 0 | 112.1 | E297 H298 K299 N304 | E297-S301 PolarHBondContact O-N 3.38Å; H298-S301 WeakPolarHBondContact O-CB 3.41Å; H298-S301 PolarHBondContact O-N 3.38Å; K299-S301 VanDerWaalsContact C-N 3.34Å; K299-S301 PolarHBondContact O-N 2.94Å; S301-N304 PolarHBondContact O-N 3.36Å |
| 302 | L | 72.7 | Confident | 68.4 | Low | 93 Ų | 93 | 105.3 Ų | 105.3 | 49% | 0.487 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.7 | -51.1 | -179.4 | -74.4 | 167.2 | 0 | 0 | 0 | 112.1 | H298 K299 N304 T305 E306 | H298-L302 PolarHBondContact O-N 3.48Å; K299-L302 PolarHBondContact O-N 3.16Å; L302-N304 VanDerWaalsContact C-N 3.25Å; L302-N304 PolarHBondContact O-N 2.97Å; L302-T305 PolarHBondContact O-N 2.85Å; L302-T305 PolarHBondContact O-OG1 3.22Å; L302-E306 PolarHBondContact O-N 3.48Å |
| 303 | A | 63.9 | Low | 67.7 | Low | 43 Ų | 43 | 106.1 Ų | 106.1 | 36% | 0.355 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -56.9 | -37.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K299 T305 E306 I307 | K299-A303 PolarHBondContact O-N 2.67Å; A303-T305 VanDerWaalsContact C-N 3.29Å; A303-T305 PolarHBondContact O-N 2.92Å; A303-E306 PolarHBondContact O-N 3.38Å; A303-I307 WeakPolarHBondContact O-CD1 3.17Å; A303-I307 VanDerWaalsContact O-CG1 3.25Å; A303-I307 WeakPolarHBondContact O-CG1 3.36Å; A303-I307 PolarHBondContact O-N 2.93Å; A303-I307 VanDerWaalsContact O-N 3.13Å |
| 304 | N | 70.4 | Confident | 66.8 | Low | 99 Ų | 99 | 103.7 Ų | 103.7 | 53% | 0.529 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.7 | -31.1 | 177.2 | -83.4 | -66.1 | 0 | 0 | 0 | 113.3 | L300 S301 L302 | L300-N304 PolarHBondContact O-N 3.04Å; L300-N304 PolarHBondContact O-ND2 2.86Å; S301-N304 PolarHBondContact O-N 3.36Å; L302-N304 VanDerWaalsContact C-N 3.25Å; L302-N304 PolarHBondContact O-N 2.97Å |
| 305 | T | 67.6 | Low | 66 | Low | 80 Ų | 80 | 105.2 Ų | 105.2 | 49% | 0.491 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -77.4 | -32.7 | 177.1 | 64.5 | 0 | 0 | 0 | 0 | 113.3 | L302 A303 | L302-T305 PolarHBondContact O-N 2.85Å; L302-T305 PolarHBondContact O-OG1 3.22Å; A303-T305 VanDerWaalsContact C-N 3.29Å; A303-T305 PolarHBondContact O-N 2.92Å |
| 306 | E | 67.4 | Low | 65.2 | Low | 118 Ų | 118 | 103.7 Ų | 103.7 | 55% | 0.551 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -73.7 | -41.9 | 178.4 | -62.9 | -173.1 | 144.8 | 0 | 0 | 111.9 | L302 A303 A308 Q309 W310 | L302-E306 PolarHBondContact O-N 3.48Å; A303-E306 PolarHBondContact O-N 3.38Å; E306-A308 PolarHBondContact O-N 3.48Å; E306-Q309 PolarHBondContact O-N 2.98Å; E306-W310 VanDerWaalsContact O-CD1 3.32Å; E306-W310 PolarHBondContact O-N 3.38Å |
| 307 | I | 62.4 | Low | 64.8 | Low | 92 Ų | 92 | 107.6 Ų | 107.6 | 47% | 0.472 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -57.6 | -34.7 | 178.1 | -70.7 | 166.5 | 0 | 0 | 0 | 111.7 | A303 K311 | A303-I307 WeakPolarHBondContact O-CD1 3.17Å; A303-I307 VanDerWaalsContact O-CG1 3.25Å; A303-I307 WeakPolarHBondContact O-CG1 3.36Å; A303-I307 PolarHBondContact O-N 2.93Å; A303-I307 VanDerWaalsContact O-N 3.13Å; I307-K311 PolarHBondContact O-N 3.28Å |
| 308 | A | 61.3 | Low | 64 | Low | 67 Ų | 67 | 106.2 Ų | 106.2 | 55% | 0.554 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.8 | -36.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | E306 | E306-A308 PolarHBondContact O-N 3.48Å |
| 309 | Q | 66.4 | Low | 63.3 | Low | 135 Ų | 135 | 104.7 Ų | 104.7 | 63% | 0.631 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -76.2 | -38.1 | -179 | -63.2 | -172.5 | 25.1 | 0 | 0 | 112.7 | E306 | E306-Q309 PolarHBondContact O-N 2.98Å |
| 310 | W | 64.4 | Low | 62.6 | Low | 148 Ų | 148 | 105 Ų | 105 | 56% | 0.561 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -72.2 | -37.4 | -175.9 | -77.3 | 110.1 | 0 | 0 | 0 | 113.7 | E306 S312 K313 F314 | E306-W310 VanDerWaalsContact O-CD1 3.32Å; E306-W310 PolarHBondContact O-N 3.38Å; W310-S312 VanDerWaalsContact C-N 3.3Å; W310-S312 PolarHBondContact O-N 3.21Å; W310-K313 PolarHBondContact O-N 3.37Å; W310-K313 VanDerWaalsContact O-N 3.11Å; W310-F314 HydrophobicContact CD2-CE2 4.48Å; W310-F314 HydrophobicContact CE3-CD2 4.18Å; W310-F314 AromaticContact CE3-CE2 3.66Å; W310-F314 HydrophobicContact CE3-CE2 3.66Å; W310-F314 HydrophobicContact CZ3-CE2 4.19Å; W310-F314 PolarHBondContact O-N 3.39Å |
| 311 | K | 59.4 | Low | 62.3 | Low | 138 Ų | 138 | 104.3 Ų | 104.3 | 60% | 0.6 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -55.2 | -45.1 | 176.3 | -76.5 | -177.2 | 174.7 | -176.5 | 0 | 112.3 | I307 K313 F314 | I307-K311 PolarHBondContact O-N 3.28Å; K311-K313 PolarHBondContact O-N 2.92Å; K311-F314 PolarHBondContact O-N 2.95Å |
| 312 | S | 58.6 | Low | 61.7 | Low | 102 Ų | 102 | 105.7 Ų | 105.7 | 71% | 0.713 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.6 | -10.3 | -179.2 | -172 | 0 | 0 | 0 | 0 | 115.1 | W310 | W310-S312 VanDerWaalsContact C-N 3.3Å; W310-S312 PolarHBondContact O-N 3.21Å |
| 313 | K | 59.2 | Low | 61 | Low | 130 Ų | 130 | 110 Ų | 110 | 57% | 0.565 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -104.8 | -44 | 177.2 | -65.9 | -176.8 | 179.8 | 175.3 | 0 | 112.4 | W310 K311 D315 A316 | W310-K313 PolarHBondContact O-N 3.37Å; W310-K313 VanDerWaalsContact O-N 3.11Å; K311-K313 PolarHBondContact O-N 2.92Å; K313-D315 PolarHBondContact O-N 2.66Å; K313-A316 PolarHBondContact O-N 3.18Å |
| 314 | F | 58.1 | Low | 60.8 | Low | 110 Ų | 110 | 114.3 Ų | 114.3 | 48% | 0.482 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.4 | -33.4 | -174.3 | -87.9 | -71.5 | 0 | 0 | 0 | 113.9 | W310 K311 A316 E317 V318 | W310-F314 HydrophobicContact CD2-CE2 4.48Å; W310-F314 HydrophobicContact CE3-CD2 4.18Å; W310-F314 AromaticContact CE3-CE2 3.66Å; W310-F314 HydrophobicContact CE3-CE2 3.66Å; W310-F314 HydrophobicContact CZ3-CE2 4.19Å; W310-F314 PolarHBondContact O-N 3.39Å; K311-F314 PolarHBondContact O-N 2.95Å; F314-A316 PolarHBondContact O-N 3.28Å; F314-E317 PolarHBondContact O-N 2.94Å; F314-V318 HydrophobicContact CD1-CG2 4.48Å; F314-V318 WeakPolarHBondContact O-CG2 3.45Å; F314-V318 PolarHBondContact O-N 2.96Å |
| 315 | D | 56.6 | Low | 60.3 | Low | 137 Ų | 137 | 112.6 Ų | 112.6 | 73% | 0.733 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.2 | -14.9 | -179.4 | -68.1 | -16.9 | 0 | 0 | 0 | 113.7 | K313 | K313-D315 PolarHBondContact O-N 2.66Å |
| 316 | A | 58 | Low | 60.2 | Low | 76 Ų | 76 | 112.1 Ų | 112.1 | 63% | 0.628 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -93.2 | -28.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | K313 F314 | K313-A316 PolarHBondContact O-N 3.18Å; F314-A316 PolarHBondContact O-N 3.28Å |
| 317 | E | 57.5 | Low | 60.4 | Low | 140 Ų | 140 | 110.9 Ų | 110.9 | 65% | 0.654 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -100 | -30.2 | -172.4 | -66.6 | -176.6 | 151.4 | 0 | 0 | 113.2 | F314 A319 I320 | F314-E317 PolarHBondContact O-N 2.94Å; E317-A319 PolarHBondContact O-N 3.25Å; E317-A319 VanDerWaalsContact O-N 3.15Å; E317-I320 PolarHBondContact O-N 2.94Å |
| 318 | V | 56.1 | Low | 60.9 | Low | 78 Ų | 78 | 112 Ų | 112 | 47% | 0.473 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.8 | -28.4 | -175.5 | 171.2 | 0 | 0 | 0 | 0 | 112.9 | F314 I320 | F314-V318 HydrophobicContact CD1-CG2 4.48Å; F314-V318 WeakPolarHBondContact O-CG2 3.45Å; F314-V318 PolarHBondContact O-N 2.96Å; V318-I320 PolarHBondContact O-N 3.49Å; V318-I320 VanDerWaalsContact O-N 3.08Å |
| 319 | A | 57.7 | Low | 61.6 | Low | 92 Ų | 92 | 115.4 Ų | 115.4 | 76% | 0.76 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -9.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | E317 | E317-A319 PolarHBondContact O-N 3.25Å; E317-A319 VanDerWaalsContact O-N 3.15Å |
| 320 | I | 59.7 | Low | 62.2 | Low | 129 Ų | 129 | 114.9 Ų | 114.9 | 66% | 0.662 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | -30.1 | -169.8 | -57.6 | 179.6 | 0 | 0 | 0 | 113.4 | E317 V318 | E317-I320 PolarHBondContact O-N 2.94Å; V318-I320 PolarHBondContact O-N 3.49Å; V318-I320 VanDerWaalsContact O-N 3.08Å |
| 321 | H | 58.7 | Low | 62.9 | Low | 104 Ų | 104 | 114.4 Ų | 114.4 | 48% | 0.481 | 58% | 0.583 | S | S | . | * | trans | -119.3 | 19.6 | -167 | -71.1 | -82.8 | 0 | 0 | 0 | 115.3 | E323 E324 | H321-E323 VanDerWaalsContact C-N 3.3Å; H321-E323 PolarHBondContact O-N 2.93Å; H321-E323 VanDerWaalsContact O-N 3.12Å; H321-E324 IonicContact CE1-OE2 2.94Å; H321-E324 IonicContact CG-OE2 2.61Å; H321-E324 IonicContact ND1-OE2 4Å; H321-E324 PolarHBondContact ND1-OE2 3.17Å; H321-E324 PolarHBondContact O-N 3.4Å; H321-E324 VanDerWaalsContact O-N 3.17Å | ||
| 322 | Q | 59.6 | Low | 63.8 | Low | 108 Ų | 108 | 114.8 Ų | 114.8 | 51% | 0.505 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -52.4 | -39.2 | -169.8 | -168.8 | 68.6 | 43.6 | 0 | 0 | 114.7 | ||
| 323 | E | 58.2 | Low | 65 | Low | 185 Ų | 185 | 115.3 Ų | 115.3 | 86% | 0.864 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -78.8 | -25.3 | -176.5 | -64.8 | -170.1 | 138.8 | 0 | 0 | 114.2 | H321 | H321-E323 VanDerWaalsContact C-N 3.3Å; H321-E323 PolarHBondContact O-N 2.93Å; H321-E323 VanDerWaalsContact O-N 3.12Å |
| 324 | E | 58.5 | Low | 65.9 | Low | 132 Ų | 132 | 115.6 Ų | 115.6 | 62% | 0.617 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -78 | -24.8 | 179.9 | -64.3 | -176.5 | 119.6 | 0 | 0 | 112.5 | H321 | H321-E324 IonicContact CE1-OE2 2.94Å; H321-E324 IonicContact CG-OE2 2.61Å; H321-E324 IonicContact ND1-OE2 4Å; H321-E324 PolarHBondContact ND1-OE2 3.17Å; H321-E324 PolarHBondContact O-N 3.4Å; H321-E324 VanDerWaalsContact O-N 3.17Å |
| 325 | V | 61.5 | Low | 67.1 | Low | 64 Ų | 64 | 115.7 Ų | 115.7 | 39% | 0.388 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -71.9 | -38.9 | -175.3 | 171.9 | 0 | 0 | 0 | 0 | 112.7 | D327 L328 R329 | V325-D327 VanDerWaalsContact C-N 3.35Å; V325-D327 PolarHBondContact O-N 2.92Å; V325-L328 PolarHBondContact O-N 2.75Å; V325-R329 HydrophobicContact CG1-CG 4.44Å; V325-R329 PolarHBondContact O-N 3.15Å; V325-R329 VanDerWaalsContact O-N 3.08Å |
| 326 | D | 65.5 | Low | 68.3 | Low | 70 Ų | 70 | 114.4 Ų | 114.4 | 37% | 0.374 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -74.9 | -21.1 | -170.8 | -79.6 | -22 | 0 | 0 | 0 | 114 | R329 K330 | D326-R329 WeakPolarHBondContact OD1-CD 3.31Å; D326-R329 IonicContact OD1-CZ 3.79Å; D326-R329 IonicContact OD1-NH1 2.66Å; D326-R329 PolarHBondContact OD1-NH1 2.84Å; D326-K330 WeakPolarHBondContact O-CG 3.42Å |
| 327 | D | 70.9 | Confident | 69.6 | Low | 92 Ų | 92 | 113.2 Ų | 113.2 | 49% | 0.492 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -85.3 | -24.6 | 173.7 | -113.7 | 30.9 | 0 | 0 | 0 | 113.3 | V325 K330 | V325-D327 VanDerWaalsContact C-N 3.35Å; V325-D327 PolarHBondContact O-N 2.92Å; D327-K330 IonicContact OD1-NZ 3.65Å; D327-K330 PolarHBondContact OD1-NZ 3.04Å |
| 328 | L | 73.6 | Confident | 70.8 | Confident | 114 Ų | 114 | 111.7 Ų | 111.7 | 60% | 0.597 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -73 | -39.3 | 168 | -77.6 | 171.2 | 0 | 0 | 0 | 111.7 | V325 K330 K331 M332 | V325-L328 PolarHBondContact O-N 2.75Å; L328-K330 PolarHBondContact O-N 3.49Å; L328-K331 PolarHBondContact O-N 3.5Å; L328-M332 PolarHBondContact O-N 2.9Å; L328-M332 VanDerWaalsContact O-N 3.12Å |
| 329 | R | 76.3 | Confident | 72.2 | Confident | 140 Ų | 140 | 114 Ų | 114 | 53% | 0.528 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -53.6 | -47.9 | 175.5 | -83.7 | 172.9 | 160.6 | 171.2 | -6.6 | 113 | V325 D326 K331 M332 I333 | V325-R329 HydrophobicContact CG1-CG 4.44Å; V325-R329 PolarHBondContact O-N 3.15Å; V325-R329 VanDerWaalsContact O-N 3.08Å; D326-R329 WeakPolarHBondContact OD1-CD 3.31Å; D326-R329 IonicContact OD1-CZ 3.79Å; D326-R329 IonicContact OD1-NH1 2.66Å; D326-R329 PolarHBondContact OD1-NH1 2.84Å; R329-K331 VanDerWaalsContact C-N 3.28Å; R329-K331 PolarHBondContact O-N 3.47Å; R329-M332 PolarHBondContact O-N 3.47Å; R329-I333 WeakPolarHBondContact O-CG1 3.45Å; R329-I333 PolarHBondContact O-N 2.98Å |
| 330 | K | 77.3 | Confident | 73.6 | Confident | 124 Ų | 124 | 114.3 Ų | 114.3 | 54% | 0.539 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -56.4 | -41.3 | 179.4 | -66.6 | 167 | -162.4 | 159.6 | 0 | 112.4 | D326 D327 L328 Q334 | D326-K330 WeakPolarHBondContact O-CG 3.42Å; D327-K330 IonicContact OD1-NZ 3.65Å; D327-K330 PolarHBondContact OD1-NZ 3.04Å; L328-K330 PolarHBondContact O-N 3.49Å; K330-Q334 PolarHBondContact O-N 3.21Å |
| 331 | K | 79.6 | Confident | 74.8 | Confident | 137 Ų | 137 | 114.2 Ų | 114.2 | 60% | 0.596 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -71.4 | -35.6 | 179.8 | -67.6 | 173.1 | -176.3 | 165.5 | 0 | 112.6 | L328 R329 K335 | L328-K331 PolarHBondContact O-N 3.5Å; R329-K331 VanDerWaalsContact C-N 3.28Å; R329-K331 PolarHBondContact O-N 3.47Å; K331-K335 PolarHBondContact O-N 3.42Å |
| 332 | M | 79.1 | Confident | 76.3 | Confident | 146 Ų | 146 | 114.4 Ų | 114.4 | 72% | 0.719 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.4 | -40.8 | 173.9 | -81.5 | -174.5 | 154 | 0 | 0 | 112.3 | L328 R329 Q334 K335 Q336 | L328-M332 PolarHBondContact O-N 2.9Å; L328-M332 VanDerWaalsContact O-N 3.12Å; R329-M332 PolarHBondContact O-N 3.47Å; M332-Q334 PolarHBondContact O-N 3.02Å; M332-K335 PolarHBondContact O-N 3Å; M332-K335 VanDerWaalsContact O-N 3.17Å; M332-Q336 PolarHBondContact O-N 3.45Å |
| 333 | I | 82.6 | Confident | 77.6 | Confident | 114 Ų | 114 | 114.1 Ų | 114.1 | 59% | 0.585 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.3 | -43.1 | 179.4 | -68.1 | 164.1 | 0 | 0 | 0 | 111.6 | R329 K335 Q336 A337 | R329-I333 WeakPolarHBondContact O-CG1 3.45Å; R329-I333 PolarHBondContact O-N 2.98Å; I333-K335 VanDerWaalsContact C-N 3.34Å; I333-K335 PolarHBondContact O-N 3.34Å; I333-Q336 PolarHBondContact O-N 2.92Å; I333-A337 PolarHBondContact O-N 3.47Å |
| 334 | Q | 79.8 | Confident | 79 | Confident | 136 Ų | 136 | 111.3 Ų | 111.3 | 64% | 0.636 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.2 | -44.4 | 174.5 | -71 | -172.1 | -71.1 | 0 | 0 | 112 | K330 M332 Q336 A337 E338 | K330-Q334 PolarHBondContact O-N 3.21Å; M332-Q334 PolarHBondContact O-N 3.02Å; Q334-Q336 VanDerWaalsContact C-N 3.31Å; Q334-Q336 PolarHBondContact O-N 3.44Å; Q334-A337 PolarHBondContact O-N 2.93Å; Q334-E338 PolarHBondContact O-N 2.94Å |
| 335 | K | 83.1 | Confident | 80.4 | Confident | 112 Ų | 112 | 109.3 Ų | 109.3 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -73.1 | -23.2 | -177.8 | -143.3 | -173.9 | -175 | -167.7 | 0 | 113.7 | K331 M332 I333 Y339 | K331-K335 PolarHBondContact O-N 3.42Å; M332-K335 PolarHBondContact O-N 3Å; M332-K335 VanDerWaalsContact O-N 3.17Å; I333-K335 VanDerWaalsContact C-N 3.34Å; I333-K335 PolarHBondContact O-N 3.34Å; K335-Y339 HydrophobicContact CD-CE2 4.48Å; K335-Y339 HydrophobicContact CG-CE2 4.35Å; K335-Y339 WeakPolarHBondContact O-CD2 3.32Å |
| 336 | Q | 81 | Confident | 81.7 | Confident | 110 Ų | 110 | 111.9 Ų | 111.9 | 51% | 0.514 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.2 | -48.7 | 170 | 178.1 | 175.8 | -18.8 | 0 | 0 | 110.3 | M332 I333 Q334 E338 Y339 E340 | M332-Q336 PolarHBondContact O-N 3.45Å; I333-Q336 PolarHBondContact O-N 2.92Å; Q334-Q336 VanDerWaalsContact C-N 3.31Å; Q334-Q336 PolarHBondContact O-N 3.44Å; Q336-E338 VanDerWaalsContact C-N 3.32Å; Q336-E338 PolarHBondContact O-N 2.92Å; Q336-Y339 PolarHBondContact O-N 3.47Å; Q336-E340 HydrophobicContact CG-CG 4.36Å; Q336-E340 VanDerWaalsContact CG-OE1 3.3Å; Q336-E340 WeakPolarHBondContact CG-OE1 3.25Å; Q336-E340 PolarHBondContact NE2-OE1 2.75Å; Q336-E340 WeakPolarHBondContact O-CG 3.4Å; Q336-E340 PolarHBondContact O-N 3.49Å |
| 337 | A | 84.4 | Confident | 82.9 | Confident | 51 Ų | 51 | 113.6 Ų | 113.6 | 42% | 0.421 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.1 | -40 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I333 Q334 Y339 E340 E341 | I333-A337 PolarHBondContact O-N 3.47Å; Q334-A337 PolarHBondContact O-N 2.93Å; A337-Y339 PolarHBondContact O-N 3.34Å; A337-E340 PolarHBondContact O-N 3.3Å; A337-E341 PolarHBondContact O-N 2.8Å |
| 338 | E | 83.1 | Confident | 83.7 | Confident | 108 Ų | 108 | 114.6 Ų | 114.6 | 51% | 0.505 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.4 | -30.5 | 174.7 | -72.4 | 178 | 171.2 | 0 | 0 | 113.8 | Q334 Q336 Q342 | Q334-E338 PolarHBondContact O-N 2.94Å; Q336-E338 VanDerWaalsContact C-N 3.32Å; Q336-E338 PolarHBondContact O-N 2.92Å; E338-Q342 WeakPolarHBondContact O-CG 3.28Å; E338-Q342 PolarHBondContact O-NE2 2.87Å |
| 339 | Y | 87 | Confident | 84.5 | Confident | 125 Ų | 125 | 115.1 Ų | 115.1 | 49% | 0.49 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -86.5 | -34.8 | 176 | -72.4 | -52.8 | 0 | 0 | 0 | 112.4 | K335 Q336 A337 Q342 I343 | K335-Y339 HydrophobicContact CD-CE2 4.48Å; K335-Y339 HydrophobicContact CG-CE2 4.35Å; K335-Y339 WeakPolarHBondContact O-CD2 3.32Å; Q336-Y339 PolarHBondContact O-N 3.47Å; A337-Y339 PolarHBondContact O-N 3.34Å; Y339-Q342 PolarHBondContact O-N 2.79Å; Y339-I343 VanDerWaalsContact O-CG1 3.3Å; Y339-I343 WeakPolarHBondContact O-CG1 3.46Å; Y339-I343 PolarHBondContact O-N 3.45Å |
| 340 | E | 85.5 | Confident | 85.1 | Confident | 100 Ų | 100 | 112.7 Ų | 112.7 | 47% | 0.467 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 174.6 | -72 | 168.2 | 168.8 | 0 | 0 | 110.8 | Q336 A337 Q342 I343 E344 | Q336-E340 HydrophobicContact CG-CG 4.36Å; Q336-E340 VanDerWaalsContact CG-OE1 3.3Å; Q336-E340 WeakPolarHBondContact CG-OE1 3.25Å; Q336-E340 PolarHBondContact NE2-OE1 2.75Å; Q336-E340 WeakPolarHBondContact O-CG 3.4Å; Q336-E340 PolarHBondContact O-N 3.49Å; A337-E340 PolarHBondContact O-N 3.3Å; E340-Q342 PolarHBondContact O-N 3.3Å; E340-I343 PolarHBondContact O-N 2.96Å; E340-E344 PolarHBondContact O-N 3.15Å |
| 341 | E | 85.6 | Confident | 85.7 | Confident | 126 Ų | 126 | 108.6 Ų | 108.6 | 59% | 0.589 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.7 | -42.6 | 173.8 | -174.2 | 178.8 | -172.5 | 0 | 0 | 112.3 | A337 I343 E344 I345 | A337-E341 PolarHBondContact O-N 2.8Å; E341-I343 VanDerWaalsContact C-N 3.34Å; E341-I343 PolarHBondContact O-N 2.96Å; E341-E344 PolarHBondContact O-N 3.36Å; E341-I345 HydrophobicContact CG-CD1 4.12Å; E341-I345 VanDerWaalsContact O-CG1 3.3Å; E341-I345 WeakPolarHBondContact O-CG1 3.43Å; E341-I345 PolarHBondContact O-N 3.17Å |
| 342 | Q | 89.2 | Confident | 86.2 | Confident | 109 Ų | 109 | 108.2 Ų | 108.2 | 51% | 0.509 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.6 | -35.1 | 176.2 | -77.4 | 174.3 | 66.2 | 0 | 0 | 112.9 | E338 Y339 E340 M346 | E338-Q342 WeakPolarHBondContact O-CG 3.28Å; E338-Q342 PolarHBondContact O-NE2 2.87Å; Y339-Q342 PolarHBondContact O-N 2.79Å; E340-Q342 PolarHBondContact O-N 3.3Å; Q342-M346 WeakPolarHBondContact O-CG 3.36Å; Q342-M346 PolarHBondContact O-N 3.37Å; Q342-M346 VanDerWaalsContact O-N 3.12Å |
| 343 | I | 88.2 | Confident | 86.7 | Confident | 101 Ų | 101 | 106.8 Ų | 106.8 | 52% | 0.518 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.1 | -44.5 | 175.3 | -71.9 | 165.6 | 0 | 0 | 0 | 110.2 | Y339 E340 E341 I345 M346 L347 | Y339-I343 VanDerWaalsContact O-CG1 3.3Å; Y339-I343 WeakPolarHBondContact O-CG1 3.46Å; Y339-I343 PolarHBondContact O-N 3.45Å; E340-I343 PolarHBondContact O-N 2.96Å; E341-I343 VanDerWaalsContact C-N 3.34Å; E341-I343 PolarHBondContact O-N 2.96Å; I343-I345 PolarHBondContact O-N 2.99Å; I343-M346 PolarHBondContact O-N 2.87Å; I343-L347 HydrophobicContact CG2-CD1 3.78Å; I343-L347 HydrophobicContact CG2-CG 4.26Å; I343-L347 WeakPolarHBondContact O-CB 3.37Å; I343-L347 WeakPolarHBondContact O-CG 3.28Å; I343-L347 PolarHBondContact O-N 2.63Å |
| 344 | E | 87.3 | Confident | 87 | Confident | 126 Ų | 126 | 107.2 Ų | 107.2 | 59% | 0.589 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.1 | -45 | 174.8 | -71.8 | -159.8 | 152.1 | 0 | 0 | 112.2 | E340 E341 M346 L347 Q348 | E340-E344 PolarHBondContact O-N 3.15Å; E341-E344 PolarHBondContact O-N 3.36Å; E344-M346 VanDerWaalsContact C-N 3.3Å; E344-M346 PolarHBondContact O-N 2.93Å; E344-L347 PolarHBondContact O-N 2.82Å; E344-Q348 WeakPolarHBondContact O-CB 3.49Å; E344-Q348 VanDerWaalsContact O-CG 3.3Å; E344-Q348 WeakPolarHBondContact O-CG 3.47Å; E344-Q348 PolarHBondContact O-N 3.24Å |
| 345 | I | 88.6 | Confident | 87.5 | Confident | 91 Ų | 91 | 106.7 Ų | 106.7 | 47% | 0.467 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.2 | -41.1 | 176.9 | -69.9 | 165.6 | 0 | 0 | 0 | 111.3 | E341 I343 K349 | E341-I345 HydrophobicContact CG-CD1 4.12Å; E341-I345 VanDerWaalsContact O-CG1 3.3Å; E341-I345 WeakPolarHBondContact O-CG1 3.43Å; E341-I345 PolarHBondContact O-N 3.17Å; I343-I345 PolarHBondContact O-N 2.99Å; I345-K349 WeakPolarHBondContact O-CB 3.3Å; I345-K349 PolarHBondContact O-N 2.85Å; I345-K349 VanDerWaalsContact O-N 3.1Å |
| 346 | M | 88.1 | Confident | 87.7 | Confident | 118 Ų | 118 | 103.6 Ų | 103.6 | 58% | 0.581 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -71.5 | -39.8 | 177.6 | -69.4 | -64.8 | 179.2 | 0 | 0 | 112.5 | Q342 I343 E344 K349 I350 | Q342-M346 WeakPolarHBondContact O-CG 3.36Å; Q342-M346 PolarHBondContact O-N 3.37Å; Q342-M346 VanDerWaalsContact O-N 3.12Å; I343-M346 PolarHBondContact O-N 2.87Å; E344-M346 VanDerWaalsContact C-N 3.3Å; E344-M346 PolarHBondContact O-N 2.93Å; M346-K349 PolarHBondContact O-N 3.48Å; M346-I350 WeakPolarHBondContact O-CG1 3.48Å; M346-I350 PolarHBondContact O-N 2.76Å |
| 347 | L | 90.1 | Very high | 88.2 | Confident | 106 Ų | 106 | 104.7 Ų | 104.7 | 56% | 0.555 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.1 | -42.3 | 175.1 | -72 | 171.6 | 0 | 0 | 0 | 111.8 | I343 E344 K349 I350 S351 | I343-L347 HydrophobicContact CG2-CD1 3.78Å; I343-L347 HydrophobicContact CG2-CG 4.26Å; I343-L347 WeakPolarHBondContact O-CB 3.37Å; I343-L347 WeakPolarHBondContact O-CG 3.28Å; I343-L347 PolarHBondContact O-N 2.63Å; E344-L347 PolarHBondContact O-N 2.82Å; L347-K349 VanDerWaalsContact C-N 3.29Å; L347-K349 PolarHBondContact O-N 3.08Å; L347-I350 PolarHBondContact O-N 2.68Å; L347-S351 PolarHBondContact O-N 2.96Å |
| 348 | Q | 88.6 | Confident | 88.4 | Confident | 113 Ų | 113 | 105.5 Ų | 105.5 | 53% | 0.528 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59 | -41.9 | 172.3 | -72.7 | 179.7 | 28.8 | 0 | 0 | 111.3 | E344 S351 Q352 | E344-Q348 WeakPolarHBondContact O-CB 3.49Å; E344-Q348 VanDerWaalsContact O-CG 3.3Å; E344-Q348 WeakPolarHBondContact O-CG 3.47Å; E344-Q348 PolarHBondContact O-N 3.24Å; Q348-S351 PolarHBondContact O-N 3.29Å; Q348-Q352 WeakPolarHBondContact O-CG 3.34Å; Q348-Q352 PolarHBondContact O-N 3.16Å |
| 349 | K | 90 | Very high | 88.7 | Confident | 125 Ų | 125 | 108.7 Ų | 108.7 | 54% | 0.543 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.1 | -37.7 | 178.6 | -165.9 | 172.8 | -174.4 | 176.3 | 0 | 113 | I345 M346 L347 Q352 L353 | I345-K349 WeakPolarHBondContact O-CB 3.3Å; I345-K349 PolarHBondContact O-N 2.85Å; I345-K349 VanDerWaalsContact O-N 3.1Å; M346-K349 PolarHBondContact O-N 3.48Å; L347-K349 VanDerWaalsContact C-N 3.29Å; L347-K349 PolarHBondContact O-N 3.08Å; K349-Q352 PolarHBondContact O-N 2.99Å; K349-L353 WeakPolarHBondContact O-CG 3.48Å; K349-L353 PolarHBondContact O-N 3.08Å; K349-L353 VanDerWaalsContact O-N 3.08Å |
| 350 | I | 89.6 | Confident | 88.8 | Confident | 88 Ų | 88 | 107.8 Ų | 107.8 | 45% | 0.451 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.9 | -49 | 171.6 | -69.5 | 166.3 | 0 | 0 | 0 | 109.8 | M346 L347 Q352 L353 E354 | M346-I350 WeakPolarHBondContact O-CG1 3.48Å; M346-I350 PolarHBondContact O-N 2.76Å; L347-I350 PolarHBondContact O-N 2.68Å; I350-Q352 VanDerWaalsContact C-N 3.27Å; I350-Q352 PolarHBondContact O-N 2.99Å; I350-L353 PolarHBondContact O-N 3.08Å; I350-E354 HydrophobicContact CG2-CG 4.33Å; I350-E354 WeakPolarHBondContact O-CG 3.33Å; I350-E354 PolarHBondContact O-N 3.2Å |
| 351 | S | 89.6 | Confident | 89 | Confident | 38 Ų | 38 | 107.5 Ų | 107.5 | 27% | 0.266 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.4 | -35.6 | 177.9 | -168.8 | 0 | 0 | 0 | 0 | 113 | L347 Q348 K355 | L347-S351 PolarHBondContact O-N 2.96Å; Q348-S351 PolarHBondContact O-N 3.29Å; S351-K355 WeakPolarHBondContact O-CB 3.32Å; S351-K355 VanDerWaalsContact O-CD 3.32Å; S351-K355 WeakPolarHBondContact O-CD 3.4Å; S351-K355 VanDerWaalsContact O-CG 3.24Å; S351-K355 WeakPolarHBondContact O-CG 3.41Å; S351-K355 PolarHBondContact O-N 3.03Å; S351-K355 VanDerWaalsContact O-N 3.07Å; S351-K355 PolarHBondContact OG-NZ 3.36Å |
| 352 | Q | 89.8 | Confident | 89.2 | Confident | 129 Ų | 129 | 104.1 Ų | 104.1 | 60% | 0.603 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.8 | -41.8 | 172.7 | -73.6 | 173.3 | 17.5 | 0 | 0 | 112.3 | Q348 K349 I350 K355 A356 | Q348-Q352 WeakPolarHBondContact O-CG 3.34Å; Q348-Q352 PolarHBondContact O-N 3.16Å; K349-Q352 PolarHBondContact O-N 2.99Å; I350-Q352 VanDerWaalsContact C-N 3.27Å; I350-Q352 PolarHBondContact O-N 2.99Å; Q352-K355 PolarHBondContact O-N 3.41Å; Q352-A356 WeakPolarHBondContact O-CB 3.26Å; Q352-A356 PolarHBondContact O-N 3.14Å |
| 353 | L | 89.4 | Confident | 89.3 | Confident | 117 Ų | 117 | 104 Ų | 104 | 61% | 0.613 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.8 | -37 | 177.3 | -71.6 | 170.2 | 0 | 0 | 0 | 112.5 | K349 I350 A356 K357 | K349-L353 WeakPolarHBondContact O-CG 3.48Å; K349-L353 PolarHBondContact O-N 3.08Å; K349-L353 VanDerWaalsContact O-N 3.08Å; I350-L353 PolarHBondContact O-N 3.08Å; L353-A356 PolarHBondContact O-N 2.87Å; L353-K357 WeakPolarHBondContact O-CB 3.33Å; L353-K357 PolarHBondContact O-N 3.36Å |
| 354 | E | 88.3 | Confident | 89.4 | Confident | 122 Ų | 122 | 103.2 Ų | 103.2 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.7 | -41.9 | 174.1 | -70.1 | 177.7 | 145 | 0 | 0 | 111.8 | I350 A356 K357 S358 | I350-E354 HydrophobicContact CG2-CG 4.33Å; I350-E354 WeakPolarHBondContact O-CG 3.33Å; I350-E354 PolarHBondContact O-N 3.2Å; E354-A356 VanDerWaalsContact C-N 3.3Å; E354-A356 PolarHBondContact O-N 3.41Å; E354-K357 PolarHBondContact O-N 3.5Å; E354-S358 PolarHBondContact O-N 3.35Å; E354-S358 PolarHBondContact O-OG 3.41Å |
| 355 | K | 90.2 | Very high | 89.6 | Confident | 126 Ų | 126 | 102.8 Ų | 102.8 | 55% | 0.548 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.5 | -30.6 | 173.1 | -73.1 | 163.3 | -178.3 | 148.4 | 0 | 112.9 | S351 Q352 S358 R359 | S351-K355 WeakPolarHBondContact O-CB 3.32Å; S351-K355 VanDerWaalsContact O-CD 3.32Å; S351-K355 WeakPolarHBondContact O-CD 3.4Å; S351-K355 VanDerWaalsContact O-CG 3.24Å; S351-K355 WeakPolarHBondContact O-CG 3.41Å; S351-K355 PolarHBondContact O-N 3.03Å; S351-K355 VanDerWaalsContact O-N 3.07Å; S351-K355 PolarHBondContact OG-NZ 3.36Å; Q352-K355 PolarHBondContact O-N 3.41Å; K355-S358 PolarHBondContact O-OG 3.11Å; K355-R359 VanDerWaalsContact O-CG 3.31Å; K355-R359 WeakPolarHBondContact O-CG 3.41Å; K355-R359 PolarHBondContact O-N 3.29Å |
| 356 | A | 87.6 | Confident | 89.7 | Confident | 46 Ų | 46 | 102.5 Ų | 102.5 | 38% | 0.38 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -73.3 | -41.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q352 L353 E354 R359 L360 | Q352-A356 WeakPolarHBondContact O-CB 3.26Å; Q352-A356 PolarHBondContact O-N 3.14Å; L353-A356 PolarHBondContact O-N 2.87Å; E354-A356 VanDerWaalsContact C-N 3.3Å; E354-A356 PolarHBondContact O-N 3.41Å; A356-R359 PolarHBondContact O-N 2.92Å; A356-L360 WeakPolarHBondContact O-CG 3.25Å; A356-L360 PolarHBondContact O-N 2.84Å |
| 357 | K | 91.6 | Very high | 89.9 | Confident | 133 Ų | 133 | 102.6 Ų | 102.6 | 58% | 0.578 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.1 | -48.2 | 176.3 | -176.3 | -167 | 172.9 | -162.5 | 0 | 111.7 | L353 E354 R359 L360 Q361 | L353-K357 WeakPolarHBondContact O-CB 3.33Å; L353-K357 PolarHBondContact O-N 3.36Å; E354-K357 PolarHBondContact O-N 3.5Å; K357-R359 VanDerWaalsContact C-N 3.35Å; K357-R359 PolarHBondContact O-N 3.12Å; K357-L360 PolarHBondContact O-N 2.79Å; K357-Q361 VanDerWaalsContact CE-OE1 3.22Å; K357-Q361 WeakPolarHBondContact O-CG 3.37Å; K357-Q361 PolarHBondContact O-N 3.49Å |
| 358 | S | 88.5 | Confident | 90 | Very high | 69 Ų | 69 | 101.6 Ų | 101.6 | 48% | 0.483 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.8 | -37.9 | -179.3 | 64.1 | 0 | 0 | 0 | 0 | 112.5 | E354 K355 Q361 S362 | E354-S358 PolarHBondContact O-N 3.35Å; E354-S358 PolarHBondContact O-OG 3.41Å; K355-S358 PolarHBondContact O-OG 3.11Å; S358-Q361 PolarHBondContact O-N 3.49Å; S358-S362 PolarHBondContact O-N 2.94Å; S358-S362 PolarHBondContact O-OG 3.43Å |
| 359 | R | 89 | Confident | 90.1 | Very high | 175 Ų | 175 | 99.4 Ų | 99.4 | 66% | 0.66 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.8 | -52.8 | 170.7 | -76.1 | 175.8 | 177.6 | -172.6 | -1.6 | 111.9 | K355 A356 K357 Q361 S362 E363 | K355-R359 VanDerWaalsContact O-CG 3.31Å; K355-R359 WeakPolarHBondContact O-CG 3.41Å; K355-R359 PolarHBondContact O-N 3.29Å; A356-R359 PolarHBondContact O-N 2.92Å; K357-R359 VanDerWaalsContact C-N 3.35Å; K357-R359 PolarHBondContact O-N 3.12Å; R359-Q361 VanDerWaalsContact C-N 3.27Å; R359-Q361 PolarHBondContact O-N 2.94Å; R359-S362 PolarHBondContact O-N 3.32Å; R359-S362 VanDerWaalsContact O-N 3.08Å; R359-S362 PolarHBondContact O-OG 3.26Å; R359-E363 WeakPolarHBondContact O-CG 3.16Å; R359-E363 PolarHBondContact O-N 3.19Å |
| 360 | L | 89 | Confident | 90.1 | Very high | 105 Ų | 105 | 97 Ų | 97 | 55% | 0.55 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.8 | -33.2 | 178.9 | -71.5 | 170.7 | 0 | 0 | 0 | 112.9 | A356 K357 V364 | A356-L360 WeakPolarHBondContact O-CG 3.25Å; A356-L360 PolarHBondContact O-N 2.84Å; K357-L360 PolarHBondContact O-N 2.79Å; L360-V364 VanDerWaalsContact O-CG2 3.31Å; L360-V364 WeakPolarHBondContact O-CG2 3.47Å; L360-V364 PolarHBondContact O-N 2.8Å |
| 361 | Q | 91.7 | Very high | 90.2 | Very high | 94 Ų | 94 | 97.6 Ų | 97.6 | 44% | 0.439 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.9 | -48.3 | 171.2 | -73.4 | -175.8 | -109.1 | 0 | 0 | 111.3 | K357 S358 R359 E363 V364 E365 | K357-Q361 VanDerWaalsContact CE-OE1 3.22Å; K357-Q361 WeakPolarHBondContact O-CG 3.37Å; K357-Q361 PolarHBondContact O-N 3.49Å; S358-Q361 PolarHBondContact O-N 3.49Å; R359-Q361 VanDerWaalsContact C-N 3.27Å; R359-Q361 PolarHBondContact O-N 2.94Å; Q361-E363 VanDerWaalsContact C-N 3.32Å; Q361-E363 PolarHBondContact O-N 3.15Å; Q361-V364 PolarHBondContact O-N 3.19Å; Q361-E365 WeakPolarHBondContact O-CG 3.33Å; Q361-E365 PolarHBondContact O-N 2.95Å |
| 362 | S | 88.8 | Confident | 90.3 | Very high | 56 Ų | 56 | 100.9 Ų | 100.9 | 39% | 0.392 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.7 | -33.8 | 176.9 | 64.4 | 0 | 0 | 0 | 0 | 113.5 | S358 R359 E365 V366 | S358-S362 PolarHBondContact O-N 2.94Å; S358-S362 PolarHBondContact O-OG 3.43Å; R359-S362 PolarHBondContact O-N 3.32Å; R359-S362 VanDerWaalsContact O-N 3.08Å; R359-S362 PolarHBondContact O-OG 3.26Å; S362-E365 PolarHBondContact O-N 3.34Å; S362-V366 WeakPolarHBondContact O-CG2 3.42Å; S362-V366 PolarHBondContact O-N 2.99Å |
| 363 | E | 90.5 | Very high | 90.4 | Very high | 107 Ų | 107 | 100.2 Ų | 100.2 | 50% | 0.5 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 173.6 | -73.1 | 170.7 | -155.2 | 0 | 0 | 111.5 | R359 Q361 L367 | R359-E363 WeakPolarHBondContact O-CG 3.16Å; R359-E363 PolarHBondContact O-N 3.19Å; Q361-E363 VanDerWaalsContact C-N 3.32Å; Q361-E363 PolarHBondContact O-N 3.15Å; E363-L367 WeakPolarHBondContact O-CB 3.26Å; E363-L367 VanDerWaalsContact O-CG 3.26Å; E363-L367 WeakPolarHBondContact O-CG 3.49Å; E363-L367 PolarHBondContact O-N 2.72Å |
| 364 | V | 90.5 | Very high | 90.3 | Very high | 83 Ų | 83 | 96.8 Ų | 96.8 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.4 | -40.6 | 174.8 | 168.7 | 0 | 0 | 0 | 0 | 111.7 | L360 Q361 L367 I368 | L360-V364 VanDerWaalsContact O-CG2 3.31Å; L360-V364 WeakPolarHBondContact O-CG2 3.47Å; L360-V364 PolarHBondContact O-N 2.8Å; Q361-V364 PolarHBondContact O-N 3.19Å; V364-L367 PolarHBondContact O-N 2.91Å; V364-I368 HydrophobicContact CG1-CD1 3.88Å; V364-I368 HydrophobicContact CG1-CG1 4.44Å; V364-I368 VanDerWaalsContact O-CG1 3.32Å; V364-I368 WeakPolarHBondContact O-CG1 3.3Å; V364-I368 PolarHBondContact O-N 2.86Å |
| 365 | E | 92 | Very high | 90.5 | Very high | 118 Ų | 118 | 96.4 Ų | 96.4 | 55% | 0.551 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.1 | -43 | 176 | -73.8 | 164.7 | -164.2 | 0 | 0 | 111.6 | Q361 S362 I368 V369 | Q361-E365 WeakPolarHBondContact O-CG 3.33Å; Q361-E365 PolarHBondContact O-N 2.95Å; S362-E365 PolarHBondContact O-N 3.34Å; E365-I368 PolarHBondContact O-N 3.27Å; E365-V369 WeakPolarHBondContact O-CG2 3.36Å; E365-V369 PolarHBondContact O-N 2.91Å |
| 366 | V | 91.5 | Very high | 90.5 | Very high | 85 Ų | 85 | 95.3 Ų | 95.3 | 52% | 0.515 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 172.8 | 169.8 | 0 | 0 | 0 | 0 | 111.5 | S362 I368 V369 D370 | S362-V366 WeakPolarHBondContact O-CG2 3.42Å; S362-V366 PolarHBondContact O-N 2.99Å; V366-I368 PolarHBondContact O-N 3.45Å; V366-V369 PolarHBondContact O-N 2.72Å; V366-D370 WeakPolarHBondContact O-CB 3.46Å; V366-D370 PolarHBondContact O-N 3.43Å |
| 367 | L | 91 | Very high | 90.7 | Very high | 119 Ų | 119 | 96.7 Ų | 96.7 | 62% | 0.623 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.9 | -33.4 | 178.4 | -73.8 | 169.6 | 0 | 0 | 0 | 113.4 | E363 V364 L371 | E363-L367 WeakPolarHBondContact O-CB 3.26Å; E363-L367 VanDerWaalsContact O-CG 3.26Å; E363-L367 WeakPolarHBondContact O-CG 3.49Å; E363-L367 PolarHBondContact O-N 2.72Å; V364-L367 PolarHBondContact O-N 2.91Å; L367-L371 WeakPolarHBondContact O-CB 3.46Å; L367-L371 PolarHBondContact O-N 3.38Å |
| 368 | I | 92.5 | Very high | 90.6 | Very high | 85 Ų | 85 | 94.7 Ų | 94.7 | 44% | 0.436 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.6 | -49.7 | 172.3 | -70.4 | 164.6 | 0 | 0 | 0 | 109.8 | V364 E365 V366 D370 L371 E372 | V364-I368 HydrophobicContact CG1-CD1 3.88Å; V364-I368 HydrophobicContact CG1-CG1 4.44Å; V364-I368 VanDerWaalsContact O-CG1 3.32Å; V364-I368 WeakPolarHBondContact O-CG1 3.3Å; V364-I368 PolarHBondContact O-N 2.86Å; E365-I368 PolarHBondContact O-N 3.27Å; V366-I368 PolarHBondContact O-N 3.45Å; I368-D370 VanDerWaalsContact C-N 3.31Å; I368-D370 PolarHBondContact O-N 3.4Å; I368-L371 WeakPolarHBondContact O-CB 3.47Å; I368-L371 PolarHBondContact O-N 2.94Å; I368-L371 VanDerWaalsContact O-N 3.16Å; I368-E372 WeakPolarHBondContact O-CG 3.41Å; I368-E372 PolarHBondContact O-N 3.24Å |
| 369 | V | 91.1 | Very high | 90.7 | Very high | 67 Ų | 67 | 93 Ų | 93 | 41% | 0.406 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.2 | -37.9 | 179 | 166.5 | 0 | 0 | 0 | 0 | 111.9 | E365 V366 E372 K373 | E365-V369 WeakPolarHBondContact O-CG2 3.36Å; E365-V369 PolarHBondContact O-N 2.91Å; V366-V369 PolarHBondContact O-N 2.72Å; V369-E372 PolarHBondContact O-N 2.84Å; V369-K373 VanDerWaalsContact O-CG 3.3Å; V369-K373 WeakPolarHBondContact O-CG 3.43Å; V369-K373 PolarHBondContact O-N 3.26Å |
| 370 | D | 91 | Very high | 90.8 | Very high | 76 Ų | 76 | 89 Ų | 89 | 41% | 0.406 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -74.1 | -31.3 | 176.2 | -76.2 | -11.5 | 0 | 0 | 0 | 113 | V366 I368 K373 A374 | V366-D370 WeakPolarHBondContact O-CB 3.46Å; V366-D370 PolarHBondContact O-N 3.43Å; I368-D370 VanDerWaalsContact C-N 3.31Å; I368-D370 PolarHBondContact O-N 3.4Å; D370-K373 WeakPolarHBondContact OD1-CD 3.4Å; D370-K373 IonicContact OD1-NZ 2.66Å; D370-K373 PolarHBondContact OD1-NZ 3.44Å; D370-A374 WeakPolarHBondContact O-CB 3.47Å; D370-A374 PolarHBondContact O-N 2.68Å |
| 371 | L | 90.1 | Very high | 90.8 | Very high | 99 Ų | 99 | 88.6 Ų | 88.6 | 52% | 0.518 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 169.5 | 179 | 62.1 | 0 | 0 | 0 | 111.5 | L367 I368 A374 Q375 | L367-L371 WeakPolarHBondContact O-CB 3.46Å; L367-L371 PolarHBondContact O-N 3.38Å; I368-L371 WeakPolarHBondContact O-CB 3.47Å; I368-L371 PolarHBondContact O-N 2.94Å; I368-L371 VanDerWaalsContact O-N 3.16Å; L371-A374 PolarHBondContact O-N 2.89Å; L371-Q375 HydrophobicContact CD1-CG 4.4Å; L371-Q375 WeakPolarHBondContact O-CG 3.47Å; L371-Q375 PolarHBondContact O-N 3.02Å |
| 372 | E | 92.2 | Very high | 90.7 | Very high | 107 Ų | 107 | 89.8 Ų | 89.8 | 50% | 0.5 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 175.6 | -72.2 | -179.5 | 168.9 | 0 | 0 | 111.8 | I368 V369 Q375 N376 | I368-E372 WeakPolarHBondContact O-CG 3.41Å; I368-E372 PolarHBondContact O-N 3.24Å; V369-E372 PolarHBondContact O-N 2.84Å; E372-Q375 PolarHBondContact O-N 2.9Å; E372-N376 WeakPolarHBondContact O-CB 3.31Å; E372-N376 PolarHBondContact O-N 3.26Å; E372-N376 PolarHBondContact O-ND2 3.22Å |
| 373 | K | 91.1 | Very high | 90.8 | Very high | 116 Ų | 116 | 95.8 Ų | 95.8 | 50% | 0.504 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 171 | -71.6 | 169.2 | -161.4 | 156.5 | 0 | 111.7 | V369 D370 N376 T377 | V369-K373 VanDerWaalsContact O-CG 3.3Å; V369-K373 WeakPolarHBondContact O-CG 3.43Å; V369-K373 PolarHBondContact O-N 3.26Å; D370-K373 WeakPolarHBondContact OD1-CD 3.4Å; D370-K373 IonicContact OD1-NZ 2.66Å; D370-K373 PolarHBondContact OD1-NZ 3.44Å; K373-N376 PolarHBondContact O-N 2.95Å; K373-T377 WeakPolarHBondContact O-CB 3.42Å; K373-T377 PolarHBondContact O-N 3.4Å; K373-T377 PolarHBondContact O-OG1 3.45Å |
| 374 | A | 89.2 | Confident | 90.8 | Very high | 45 Ų | 45 | 95.5 Ų | 95.5 | 37% | 0.372 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D370 L371 T377 I378 | D370-A374 WeakPolarHBondContact O-CB 3.47Å; D370-A374 PolarHBondContact O-N 2.68Å; L371-A374 PolarHBondContact O-N 2.89Å; A374-T377 PolarHBondContact O-N 2.9Å; A374-I378 WeakPolarHBondContact O-CG1 3.13Å; A374-I378 PolarHBondContact O-N 2.94Å |
| 375 | Q | 91.7 | Very high | 90.8 | Very high | 113 Ų | 113 | 96.9 Ų | 96.9 | 53% | 0.528 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 176.6 | -72 | 177.3 | 6.4 | 0 | 0 | 112.1 | L371 E372 T377 I378 A379 | L371-Q375 HydrophobicContact CD1-CG 4.4Å; L371-Q375 WeakPolarHBondContact O-CG 3.47Å; L371-Q375 PolarHBondContact O-N 3.02Å; E372-Q375 PolarHBondContact O-N 2.9Å; Q375-T377 VanDerWaalsContact C-N 3.31Å; Q375-T377 PolarHBondContact O-N 3.23Å; Q375-I378 PolarHBondContact O-N 3.47Å; Q375-A379 PolarHBondContact O-N 2.97Å |
| 376 | N | 91.1 | Very high | 90.7 | Very high | 103 Ų | 103 | 95.8 Ų | 95.8 | 55% | 0.551 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.4 | -38.4 | 174.6 | -79.6 | -65.9 | 0 | 0 | 0 | 112.1 | E372 K373 A379 I380 | E372-N376 WeakPolarHBondContact O-CB 3.31Å; E372-N376 PolarHBondContact O-N 3.26Å; E372-N376 PolarHBondContact O-ND2 3.22Å; K373-N376 PolarHBondContact O-N 2.95Å; N376-A379 PolarHBondContact O-N 3.41Å; N376-I380 WeakPolarHBondContact O-CD1 3.41Å; N376-I380 VanDerWaalsContact O-CG1 3.27Å; N376-I380 WeakPolarHBondContact O-CG1 3.24Å; N376-I380 PolarHBondContact O-N 2.83Å |
| 377 | T | 90.4 | Very high | 90.7 | Very high | 76 Ų | 76 | 97.9 Ų | 97.9 | 47% | 0.466 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 176.6 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | K373 A374 Q375 I380 L381 | K373-T377 WeakPolarHBondContact O-CB 3.42Å; K373-T377 PolarHBondContact O-N 3.4Å; K373-T377 PolarHBondContact O-OG1 3.45Å; A374-T377 PolarHBondContact O-N 2.9Å; Q375-T377 VanDerWaalsContact C-N 3.31Å; Q375-T377 PolarHBondContact O-N 3.23Å; T377-I380 PolarHBondContact O-N 3.42Å; T377-L381 HydrophobicContact CG2-CD1 4.04Å; T377-L381 VanDerWaalsContact O-CG 3.31Å; T377-L381 WeakPolarHBondContact O-CG 3.29Å; T377-L381 PolarHBondContact O-N 3.03Å |
| 378 | I | 90.8 | Very high | 90.5 | Very high | 91 Ų | 91 | 97.6 Ų | 97.6 | 47% | 0.467 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.7 | -49.6 | 173.9 | -69.2 | 163.5 | 0 | 0 | 0 | 110.3 | A374 Q375 I380 L381 E382 | A374-I378 WeakPolarHBondContact O-CG1 3.13Å; A374-I378 PolarHBondContact O-N 2.94Å; Q375-I378 PolarHBondContact O-N 3.47Å; I378-I380 PolarHBondContact O-N 2.82Å; I378-L381 PolarHBondContact O-N 2.86Å; I378-E382 HydrophobicContact CG2-CG 4.2Å; I378-E382 WeakPolarHBondContact O-CG 3.41Å; I378-E382 PolarHBondContact O-N 3.39Å |
| 379 | A | 90.7 | Very high | 90.4 | Very high | 33 Ų | 33 | 98.4 Ų | 98.4 | 27% | 0.273 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.6 | -28.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q375 N376 R383 | Q375-A379 PolarHBondContact O-N 2.97Å; N376-A379 PolarHBondContact O-N 3.41Å; A379-R383 WeakPolarHBondContact O-CD 3.48Å; A379-R383 VanDerWaalsContact O-CG 3.26Å; A379-R383 WeakPolarHBondContact O-CG 3.4Å; A379-R383 PolarHBondContact O-N 2.94Å |
| 380 | I | 90.1 | Very high | 90.4 | Very high | 91 Ų | 91 | 102.2 Ų | 102.2 | 47% | 0.467 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.7 | -46.6 | 171.4 | -69.9 | 164.2 | 0 | 0 | 0 | 110.6 | N376 T377 I378 E382 R383 Q384 | N376-I380 WeakPolarHBondContact O-CD1 3.41Å; N376-I380 VanDerWaalsContact O-CG1 3.27Å; N376-I380 WeakPolarHBondContact O-CG1 3.24Å; N376-I380 PolarHBondContact O-N 2.83Å; T377-I380 PolarHBondContact O-N 3.42Å; I378-I380 PolarHBondContact O-N 2.82Å; I380-E382 PolarHBondContact O-N 3.22Å; I380-R383 PolarHBondContact O-N 3.1Å; I380-Q384 WeakPolarHBondContact O-CG 3.3Å; I380-Q384 PolarHBondContact O-N 3.27Å |
| 381 | L | 89.6 | Confident | 90.3 | Very high | 97 Ų | 97 | 101.5 Ų | 101.5 | 51% | 0.508 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.5 | -36.3 | 179.8 | -70.9 | 169.8 | 0 | 0 | 0 | 112.6 | T377 I378 Q384 K385 | T377-L381 HydrophobicContact CG2-CD1 4.04Å; T377-L381 VanDerWaalsContact O-CG 3.31Å; T377-L381 WeakPolarHBondContact O-CG 3.29Å; T377-L381 PolarHBondContact O-N 3.03Å; I378-L381 PolarHBondContact O-N 2.86Å; L381-Q384 PolarHBondContact O-N 2.73Å; L381-K385 WeakPolarHBondContact O-CB 3.34Å; L381-K385 PolarHBondContact O-N 3.35Å |
| 382 | E | 89.7 | Confident | 90.2 | Very high | 118 Ų | 118 | 100.3 Ų | 100.3 | 55% | 0.551 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.3 | -44.5 | 174.3 | -73.1 | 178.5 | 148.6 | 0 | 0 | 111.6 | I378 I380 Q384 K385 E386 | I378-E382 HydrophobicContact CG2-CG 4.2Å; I378-E382 WeakPolarHBondContact O-CG 3.41Å; I378-E382 PolarHBondContact O-N 3.39Å; I380-E382 PolarHBondContact O-N 3.22Å; E382-Q384 PolarHBondContact O-N 3.28Å; E382-K385 WeakPolarHBondContact O-CB 3.41Å; E382-K385 PolarHBondContact O-N 3.44Å; E382-E386 PolarHBondContact O-N 2.88Å |
| 383 | R | 90.3 | Very high | 90.1 | Very high | 182 Ų | 182 | 98.5 Ų | 98.5 | 69% | 0.687 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.2 | -40.4 | 174.3 | -70.9 | 170.4 | -175.1 | 173.1 | 4.1 | 112.2 | A379 I380 E386 Q387 | A379-R383 WeakPolarHBondContact O-CD 3.48Å; A379-R383 VanDerWaalsContact O-CG 3.26Å; A379-R383 WeakPolarHBondContact O-CG 3.4Å; A379-R383 PolarHBondContact O-N 2.94Å; I380-R383 PolarHBondContact O-N 3.1Å; R383-E386 PolarHBondContact O-N 2.93Å; R383-Q387 WeakPolarHBondContact O-CB 3.36Å; R383-Q387 PolarHBondContact O-N 3.29Å |
| 384 | Q | 89.8 | Confident | 89.9 | Confident | 101 Ų | 101 | 98.9 Ų | 98.9 | 47% | 0.472 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.2 | -41 | 174.7 | -74.1 | 178.5 | -7.5 | 0 | 0 | 111.9 | I380 L381 E382 Q387 L388 | I380-Q384 WeakPolarHBondContact O-CG 3.3Å; I380-Q384 PolarHBondContact O-N 3.27Å; L381-Q384 PolarHBondContact O-N 2.73Å; E382-Q384 PolarHBondContact O-N 3.28Å; Q384-Q387 PolarHBondContact O-N 3.38Å; Q384-L388 WeakPolarHBondContact O-CB 3.48Å; Q384-L388 VanDerWaalsContact O-CG 3.31Å; Q384-L388 WeakPolarHBondContact O-CG 3.37Å; Q384-L388 PolarHBondContact O-N 2.95Å |
| 385 | K | 90.9 | Very high | 89.9 | Confident | 113 Ų | 113 | 102.1 Ų | 102.1 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.8 | -51.9 | 173.3 | 174.7 | -174.5 | 172.3 | -70 | 0 | 111.1 | L381 E382 Q387 L388 E389 | L381-K385 WeakPolarHBondContact O-CB 3.34Å; L381-K385 PolarHBondContact O-N 3.35Å; E382-K385 WeakPolarHBondContact O-CB 3.41Å; E382-K385 PolarHBondContact O-N 3.44Å; K385-Q387 VanDerWaalsContact C-N 3.3Å; K385-Q387 PolarHBondContact O-N 3.46Å; K385-L388 PolarHBondContact O-N 3.02Å; K385-E389 VanDerWaalsContact CE-OE1 3.27Å; K385-E389 WeakPolarHBondContact CE-OE1 3.34Å; K385-E389 HydrophobicContact CG-CG 4.48Å; K385-E389 IonicContact NZ-OE1 3.98Å; K385-E389 PolarHBondContact NZ-OE1 3Å; K385-E389 IonicContact NZ-OE2 2.68Å; K385-E389 PolarHBondContact NZ-OE2 3.17Å; K385-E389 WeakPolarHBondContact O-CG 3.36Å; K385-E389 PolarHBondContact O-N 2.99Å |
| 386 | E | 90.4 | Very high | 89.8 | Confident | 95 Ų | 95 | 102.8 Ų | 102.8 | 44% | 0.444 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.9 | -40.3 | 177.9 | -76.6 | -169.8 | -155.2 | 0 | 0 | 112.4 | E382 R383 E389 R390 | E382-E386 PolarHBondContact O-N 2.88Å; R383-E386 PolarHBondContact O-N 2.93Å; E386-E389 PolarHBondContact O-N 2.84Å; E386-R390 VanDerWaalsContact O-CG 3.26Å; E386-R390 WeakPolarHBondContact O-CG 3.49Å; E386-R390 PolarHBondContact O-N 3.49Å; E386-R390 IonicContact OE2-CZ 3.66Å; E386-R390 IonicContact OE2-NH2 3.96Å; E386-R390 PolarHBondContact OE2-NH2 2.85Å |
| 387 | Q | 90.2 | Very high | 89.7 | Confident | 128 Ų | 128 | 101 Ų | 101 | 60% | 0.598 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.9 | -42.9 | 177.1 | -174 | 175.5 | 0.3 | 0 | 0 | 111.5 | R383 Q384 K385 R390 V391 | R383-Q387 WeakPolarHBondContact O-CB 3.36Å; R383-Q387 PolarHBondContact O-N 3.29Å; Q384-Q387 PolarHBondContact O-N 3.38Å; K385-Q387 VanDerWaalsContact C-N 3.3Å; K385-Q387 PolarHBondContact O-N 3.46Å; Q387-R390 PolarHBondContact O-N 2.83Å; Q387-V391 WeakPolarHBondContact O-CG2 3.17Å; Q387-V391 PolarHBondContact O-N 3.49Å |
| 388 | L | 88.4 | Confident | 89.7 | Confident | 114 Ų | 114 | 105.6 Ų | 105.6 | 60% | 0.597 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.9 | -39.8 | 175 | -72.2 | 169.7 | 0 | 0 | 0 | 112.2 | Q384 K385 R390 V391 V392 | Q384-L388 WeakPolarHBondContact O-CB 3.48Å; Q384-L388 VanDerWaalsContact O-CG 3.31Å; Q384-L388 WeakPolarHBondContact O-CG 3.37Å; Q384-L388 PolarHBondContact O-N 2.95Å; K385-L388 PolarHBondContact O-N 3.02Å; L388-R390 VanDerWaalsContact C-N 3.35Å; L388-R390 PolarHBondContact O-N 3.48Å; L388-V391 PolarHBondContact O-N 3.23Å; L388-V392 WeakPolarHBondContact O-CB 3.38Å; L388-V392 VanDerWaalsContact O-CG2 3.29Å; L388-V392 WeakPolarHBondContact O-CG2 3.33Å; L388-V392 PolarHBondContact O-N 3.29Å |
| 389 | E | 90.2 | Very high | 89.4 | Confident | 101 Ų | 101 | 106.8 Ų | 106.8 | 47% | 0.472 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.9 | -38.4 | 176.5 | -75.3 | 173 | 147.7 | 0 | 0 | 112 | K385 E386 S393 | K385-E389 VanDerWaalsContact CE-OE1 3.27Å; K385-E389 WeakPolarHBondContact CE-OE1 3.34Å; K385-E389 HydrophobicContact CG-CG 4.48Å; K385-E389 IonicContact NZ-OE1 3.98Å; K385-E389 PolarHBondContact NZ-OE1 3Å; K385-E389 IonicContact NZ-OE2 2.68Å; K385-E389 PolarHBondContact NZ-OE2 3.17Å; K385-E389 WeakPolarHBondContact O-CG 3.36Å; K385-E389 PolarHBondContact O-N 2.99Å; E386-E389 PolarHBondContact O-N 2.84Å; E389-S393 PolarHBondContact O-N 3.1Å |
| 390 | R | 90.9 | Very high | 89.3 | Confident | 148 Ų | 148 | 110.9 Ų | 110.9 | 56% | 0.558 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.7 | -50.2 | 172.6 | -67 | 169.1 | -152.2 | -177.6 | 6.4 | 111.6 | E386 Q387 L388 V392 S393 E394 | E386-R390 VanDerWaalsContact O-CG 3.26Å; E386-R390 WeakPolarHBondContact O-CG 3.49Å; E386-R390 PolarHBondContact O-N 3.49Å; E386-R390 IonicContact OE2-CZ 3.66Å; E386-R390 IonicContact OE2-NH2 3.96Å; E386-R390 PolarHBondContact OE2-NH2 2.85Å; Q387-R390 PolarHBondContact O-N 2.83Å; L388-R390 VanDerWaalsContact C-N 3.35Å; L388-R390 PolarHBondContact O-N 3.48Å; R390-V392 VanDerWaalsContact C-N 3.3Å; R390-V392 PolarHBondContact O-N 3.32Å; R390-S393 WeakPolarHBondContact O-CA 3.5Å; R390-S393 WeakPolarHBondContact O-CB 3.36Å; R390-S393 PolarHBondContact O-N 2.94Å; R390-E394 WeakPolarHBondContact O-CG 3.12Å; R390-E394 PolarHBondContact O-N 3.11Å |
| 391 | V | 89.3 | Confident | 89.1 | Confident | 61 Ų | 61 | 111.5 Ų | 111.5 | 37% | 0.37 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.7 | -39.3 | 177.5 | 170.3 | 0 | 0 | 0 | 0 | 111.7 | Q387 L388 S393 E394 L395 | Q387-V391 WeakPolarHBondContact O-CG2 3.17Å; Q387-V391 PolarHBondContact O-N 3.49Å; L388-V391 PolarHBondContact O-N 3.23Å; V391-S393 VanDerWaalsContact C-N 3.32Å; V391-S393 PolarHBondContact O-N 3.36Å; V391-E394 PolarHBondContact O-N 2.99Å; V391-L395 HydrophobicContact CG1-CD1 3.87Å; V391-L395 HydrophobicContact CG1-CG 4.35Å; V391-L395 WeakPolarHBondContact O-CB 3.42Å; V391-L395 VanDerWaalsContact O-CG 3.25Å; V391-L395 WeakPolarHBondContact O-CG 3.43Å; V391-L395 PolarHBondContact O-N 2.95Å |
| 392 | V | 87.6 | Confident | 88.9 | Confident | 74 Ų | 74 | 110.5 Ų | 110.5 | 45% | 0.448 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.5 | -32.5 | 174.3 | 167.2 | 0 | 0 | 0 | 0 | 112 | L388 R390 K396 | L388-V392 WeakPolarHBondContact O-CB 3.38Å; L388-V392 VanDerWaalsContact O-CG2 3.29Å; L388-V392 WeakPolarHBondContact O-CG2 3.33Å; L388-V392 PolarHBondContact O-N 3.29Å; R390-V392 VanDerWaalsContact C-N 3.3Å; R390-V392 PolarHBondContact O-N 3.32Å; V392-K396 HydrophobicContact CG1-CD 4.47Å; V392-K396 VanDerWaalsContact O-CG 3.29Å; V392-K396 WeakPolarHBondContact O-CG 3.43Å; V392-K396 PolarHBondContact O-N 3.34Å |
| 393 | S | 89.2 | Confident | 88.8 | Confident | 69 Ų | 69 | 108.1 Ų | 108.1 | 48% | 0.483 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.1 | -46.1 | 173.6 | -163.2 | 0 | 0 | 0 | 0 | 111.8 | E389 R390 V391 L395 K396 T397 | E389-S393 PolarHBondContact O-N 3.1Å; R390-S393 WeakPolarHBondContact O-CA 3.5Å; R390-S393 WeakPolarHBondContact O-CB 3.36Å; R390-S393 PolarHBondContact O-N 2.94Å; V391-S393 VanDerWaalsContact C-N 3.32Å; V391-S393 PolarHBondContact O-N 3.36Å; S393-L395 VanDerWaalsContact C-N 3.34Å; S393-L395 PolarHBondContact O-N 3.11Å; S393-K396 WeakPolarHBondContact O-CB 3.47Å; S393-K396 PolarHBondContact O-N 2.93Å; S393-K396 VanDerWaalsContact O-N 3.15Å; S393-T397 PolarHBondContact O-N 3.4Å; S393-T397 PolarHBondContact O-OG1 3.36Å |
| 394 | E | 88.3 | Confident | 88.7 | Confident | 124 Ų | 124 | 105.8 Ų | 105.8 | 58% | 0.579 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62 | -39.5 | 177.2 | -69.7 | 168.4 | -159.9 | 0 | 0 | 112.1 | R390 V391 K396 T397 R398 | R390-E394 WeakPolarHBondContact O-CG 3.12Å; R390-E394 PolarHBondContact O-N 3.11Å; V391-E394 PolarHBondContact O-N 2.99Å; E394-K396 VanDerWaalsContact C-N 3.32Å; E394-K396 PolarHBondContact O-N 3.04Å; E394-T397 PolarHBondContact O-OG1 2.88Å; E394-T397 VanDerWaalsContact O-OG1 3.11Å; E394-R398 WeakPolarHBondContact O-CB 3.31Å; E394-R398 PolarHBondContact O-N 3.07Å |
| 395 | L | 88.8 | Confident | 88.5 | Confident | 113 Ų | 113 | 106.9 Ų | 106.9 | 59% | 0.592 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69 | -28.5 | 175.2 | -72.1 | 172.1 | 0 | 0 | 0 | 112.9 | V391 S393 L399 | V391-L395 HydrophobicContact CG1-CD1 3.87Å; V391-L395 HydrophobicContact CG1-CG 4.35Å; V391-L395 WeakPolarHBondContact O-CB 3.42Å; V391-L395 VanDerWaalsContact O-CG 3.25Å; V391-L395 WeakPolarHBondContact O-CG 3.43Å; V391-L395 PolarHBondContact O-N 2.95Å; S393-L395 VanDerWaalsContact C-N 3.34Å; S393-L395 PolarHBondContact O-N 3.11Å; L395-L399 VanDerWaalsContact O-CB 3.3Å; L395-L399 WeakPolarHBondContact O-CB 3.31Å; L395-L399 PolarHBondContact O-N 3.01Å; L395-L399 VanDerWaalsContact O-N 3.08Å |
| 396 | K | 89.7 | Confident | 88.1 | Confident | 127 Ų | 127 | 106.1 Ų | 106.1 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -72.9 | -50.2 | 174.2 | -78.6 | 173.1 | -179.3 | -179.7 | 0 | 111.9 | V392 S393 E394 R398 L399 E400 | V392-K396 HydrophobicContact CG1-CD 4.47Å; V392-K396 VanDerWaalsContact O-CG 3.29Å; V392-K396 WeakPolarHBondContact O-CG 3.43Å; V392-K396 PolarHBondContact O-N 3.34Å; S393-K396 WeakPolarHBondContact O-CB 3.47Å; S393-K396 PolarHBondContact O-N 2.93Å; S393-K396 VanDerWaalsContact O-N 3.15Å; E394-K396 VanDerWaalsContact C-N 3.32Å; E394-K396 PolarHBondContact O-N 3.04Å; K396-R398 VanDerWaalsContact C-N 3.26Å; K396-R398 PolarHBondContact O-N 2.9Å; K396-L399 WeakPolarHBondContact O-CB 3.36Å; K396-L399 PolarHBondContact O-N 3.14Å; K396-L399 VanDerWaalsContact O-N 3.14Å; K396-E400 WeakPolarHBondContact O-CG 3.4Å; K396-E400 PolarHBondContact O-N 3.21Å |
| 397 | T | 89.2 | Confident | 87.9 | Confident | 66 Ų | 66 | 106.2 Ų | 106.2 | 41% | 0.405 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.7 | -41.6 | 177.3 | 55.4 | 0 | 0 | 0 | 0 | 110.5 | S393 E394 L399 E400 E401 | S393-T397 PolarHBondContact O-N 3.4Å; S393-T397 PolarHBondContact O-OG1 3.36Å; E394-T397 PolarHBondContact O-OG1 2.88Å; E394-T397 VanDerWaalsContact O-OG1 3.11Å; T397-L399 VanDerWaalsContact C-N 3.34Å; T397-L399 PolarHBondContact O-N 2.82Å; T397-E400 PolarHBondContact O-N 2.93Å; T397-E400 VanDerWaalsContact O-N 3.16Å; T397-E401 VanDerWaalsContact O-CG 3.28Å; T397-E401 WeakPolarHBondContact O-CG 3.44Å; T397-E401 PolarHBondContact O-N 3.5Å |
| 398 | R | 89 | Confident | 87.6 | Confident | 172 Ų | 172 | 101.9 Ų | 101.9 | 65% | 0.649 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.5 | -29 | 178.1 | -159.6 | 169 | -167.8 | 152.8 | 5.4 | 114.1 | E394 K396 E401 V402 | E394-R398 WeakPolarHBondContact O-CB 3.31Å; E394-R398 PolarHBondContact O-N 3.07Å; K396-R398 VanDerWaalsContact C-N 3.26Å; K396-R398 PolarHBondContact O-N 2.9Å; R398-E401 WeakPolarHBondContact CA-OE2 3.17Å; R398-V402 WeakPolarHBondContact O-CB 3.26Å; R398-V402 VanDerWaalsContact O-CG2 3.28Å; R398-V402 WeakPolarHBondContact O-CG2 3.42Å; R398-V402 PolarHBondContact O-N 3.39Å; R398-V402 VanDerWaalsContact O-N 3.08Å |
| 399 | L | 85.3 | Confident | 87.4 | Confident | 115 Ų | 115 | 100 Ų | 100 | 60% | 0.602 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -70 | -40.1 | 170.6 | 179.5 | 63.5 | 0 | 0 | 0 | 111.5 | L395 K396 T397 T403 | L395-L399 VanDerWaalsContact O-CB 3.3Å; L395-L399 WeakPolarHBondContact O-CB 3.31Å; L395-L399 PolarHBondContact O-N 3.01Å; L395-L399 VanDerWaalsContact O-N 3.08Å; K396-L399 WeakPolarHBondContact O-CB 3.36Å; K396-L399 PolarHBondContact O-N 3.14Å; K396-L399 VanDerWaalsContact O-N 3.14Å; T397-L399 VanDerWaalsContact C-N 3.34Å; T397-L399 PolarHBondContact O-N 2.82Å; L399-T403 VanDerWaalsContact O-CB 3.31Å; L399-T403 WeakPolarHBondContact O-CB 3.48Å; L399-T403 PolarHBondContact O-N 2.84Å; L399-T403 PolarHBondContact O-OG1 3.32Å |
| 400 | E | 88 | Confident | 87.1 | Confident | 120 Ų | 120 | 99.4 Ų | 99.4 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.3 | -39.9 | 175.9 | -70.6 | 172.2 | -164.4 | 0 | 0 | 111.8 | K396 T397 T403 Q404 | K396-E400 WeakPolarHBondContact O-CG 3.4Å; K396-E400 PolarHBondContact O-N 3.21Å; T397-E400 PolarHBondContact O-N 2.93Å; T397-E400 VanDerWaalsContact O-N 3.16Å; E400-T403 PolarHBondContact O-N 2.97Å; E400-Q404 WeakPolarHBondContact O-CG 3.46Å; E400-Q404 PolarHBondContact O-N 3.21Å; E400-Q404 VanDerWaalsContact O-N 3.08Å; E400-Q404 PolarHBondContact O-NE2 3.34Å |
| 401 | E | 87.4 | Confident | 86.8 | Confident | 103 Ų | 103 | 99.6 Ų | 99.6 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.2 | -56.7 | 172.6 | -72.9 | 161.1 | -176.5 | 0 | 0 | 111.2 | T397 R398 T403 Q404 E405 | T397-E401 VanDerWaalsContact O-CG 3.28Å; T397-E401 WeakPolarHBondContact O-CG 3.44Å; T397-E401 PolarHBondContact O-N 3.5Å; R398-E401 WeakPolarHBondContact CA-OE2 3.17Å; E401-T403 PolarHBondContact O-N 2.91Å; E401-Q404 WeakPolarHBondContact O-CB 3.27Å; E401-Q404 PolarHBondContact O-N 3.49Å; E401-E405 PolarHBondContact O-N 3.38Å |
| 402 | V | 84.2 | Confident | 86.6 | Confident | 77 Ų | 77 | 102.5 Ų | 102.5 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -30.2 | -179.3 | 170.4 | 0 | 0 | 0 | 0 | 112.1 | R398 L406 | R398-V402 WeakPolarHBondContact O-CB 3.26Å; R398-V402 VanDerWaalsContact O-CG2 3.28Å; R398-V402 WeakPolarHBondContact O-CG2 3.42Å; R398-V402 PolarHBondContact O-N 3.39Å; R398-V402 VanDerWaalsContact O-N 3.08Å; V402-L406 VanDerWaalsContact O-CB 3.28Å; V402-L406 WeakPolarHBondContact O-CB 3.27Å; V402-L406 PolarHBondContact O-N 3Å |
| 403 | T | 88.3 | Confident | 86.3 | Confident | 67 Ų | 67 | 103.6 Ų | 103.6 | 41% | 0.411 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.2 | -38.9 | 174.4 | -58.5 | 0 | 0 | 0 | 0 | 111.3 | L399 E400 E401 L406 E407 | L399-T403 VanDerWaalsContact O-CB 3.31Å; L399-T403 WeakPolarHBondContact O-CB 3.48Å; L399-T403 PolarHBondContact O-N 2.84Å; L399-T403 PolarHBondContact O-OG1 3.32Å; E400-T403 PolarHBondContact O-N 2.97Å; E401-T403 PolarHBondContact O-N 2.91Å; T403-L406 PolarHBondContact O-N 3.39Å; T403-E407 PolarHBondContact O-N 2.96Å |
| 404 | Q | 87.9 | Confident | 86.2 | Confident | 133 Ų | 133 | 106.5 Ų | 106.5 | 62% | 0.621 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.2 | -39.3 | 175.6 | -72.6 | 171.6 | 69.1 | 0 | 0 | 112 | E400 E401 E407 A408 | E400-Q404 WeakPolarHBondContact O-CG 3.46Å; E400-Q404 PolarHBondContact O-N 3.21Å; E400-Q404 VanDerWaalsContact O-N 3.08Å; E400-Q404 PolarHBondContact O-NE2 3.34Å; E401-Q404 WeakPolarHBondContact O-CB 3.27Å; E401-Q404 PolarHBondContact O-N 3.49Å; Q404-E407 PolarHBondContact O-N 3.46Å; Q404-A408 WeakPolarHBondContact O-CB 3.31Å; Q404-A408 PolarHBondContact O-N 2.89Å |
| 405 | E | 84.7 | Confident | 86 | Confident | 125 Ų | 125 | 103.3 Ų | 103.3 | 58% | 0.584 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.9 | -41.9 | 172.4 | -68.9 | 179.5 | 164 | 0 | 0 | 111.9 | E401 E407 A408 T409 | E401-E405 PolarHBondContact O-N 3.38Å; E405-E407 PolarHBondContact O-N 3.33Å; E405-A408 PolarHBondContact O-N 2.96Å; E405-T409 WeakPolarHBondContact O-CG2 3.41Å; E405-T409 PolarHBondContact O-N 2.94Å; E405-T409 PolarHBondContact O-OG1 2.87Å |
| 406 | L | 83 | Confident | 85.6 | Confident | 96 Ų | 96 | 101.7 Ų | 101.7 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 175.3 | 179.2 | 60.5 | 0 | 0 | 0 | 112 | V402 T403 T409 Q410 | V402-L406 VanDerWaalsContact O-CB 3.28Å; V402-L406 WeakPolarHBondContact O-CB 3.27Å; V402-L406 PolarHBondContact O-N 3Å; T403-L406 PolarHBondContact O-N 3.39Å; L406-T409 PolarHBondContact O-OG1 3.42Å; L406-Q410 WeakPolarHBondContact O-CB 3.18Å; L406-Q410 VanDerWaalsContact O-CG 3.24Å; L406-Q410 WeakPolarHBondContact O-CG 3.49Å; L406-Q410 PolarHBondContact O-N 3.38Å; L406-Q410 VanDerWaalsContact O-N 3.15Å |
| 407 | E | 86.3 | Confident | 85.3 | Confident | 98 Ų | 98 | 100.6 Ų | 100.6 | 46% | 0.458 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.6 | -40.2 | 172.8 | -80.4 | -160.1 | -151.2 | 0 | 0 | 112.8 | T403 Q404 E405 Q410 R411 | T403-E407 PolarHBondContact O-N 2.96Å; Q404-E407 PolarHBondContact O-N 3.46Å; E405-E407 PolarHBondContact O-N 3.33Å; E407-Q410 PolarHBondContact O-N 2.81Å; E407-R411 WeakPolarHBondContact O-CD 3.4Å; E407-R411 WeakPolarHBondContact O-CG 3.47Å; E407-R411 PolarHBondContact O-N 2.71Å; E407-R411 VanDerWaalsContact O-N 3.1Å; E407-R411 PolarHBondContact O-NE 3.29Å; E407-R411 IonicContact OE2-CZ 2.59Å; E407-R411 IonicContact OE2-NE 2.77Å; E407-R411 IonicContact OE2-NH2 3.74Å; E407-R411 PolarHBondContact OE2-NH2 3.37Å |
| 408 | A | 83.9 | Confident | 85 | Confident | 36 Ų | 36 | 100.5 Ų | 100.5 | 30% | 0.298 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.5 | -54.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q404 E405 Q410 R411 E412 | Q404-A408 WeakPolarHBondContact O-CB 3.31Å; Q404-A408 PolarHBondContact O-N 2.89Å; E405-A408 PolarHBondContact O-N 2.96Å; A408-Q410 VanDerWaalsContact C-N 3.27Å; A408-Q410 PolarHBondContact O-N 3.44Å; A408-R411 WeakPolarHBondContact O-CA 3.4Å; A408-R411 WeakPolarHBondContact O-CB 3.48Å; A408-R411 PolarHBondContact O-N 2.88Å; A408-E412 PolarHBondContact O-N 2.9Å |
| 409 | T | 85.2 | Confident | 84.7 | Confident | 75 Ų | 75 | 97.8 Ų | 97.8 | 46% | 0.46 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.4 | -33.7 | 177.8 | 51.9 | 0 | 0 | 0 | 0 | 112.7 | E405 L406 E412 L413 | E405-T409 WeakPolarHBondContact O-CG2 3.41Å; E405-T409 PolarHBondContact O-N 2.94Å; E405-T409 PolarHBondContact O-OG1 2.87Å; L406-T409 PolarHBondContact O-OG1 3.42Å; T409-E412 PolarHBondContact O-N 3.18Å; T409-L413 WeakPolarHBondContact O-CB 3.32Å; T409-L413 PolarHBondContact O-N 3.01Å |
| 410 | Q | 82.3 | Confident | 84.5 | Confident | 89 Ų | 89 | 96.6 Ų | 96.6 | 42% | 0.416 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.6 | -29.7 | 171.7 | -79.7 | -175.3 | 43.7 | 0 | 0 | 114.2 | L406 E407 A408 K414 | L406-Q410 WeakPolarHBondContact O-CB 3.18Å; L406-Q410 VanDerWaalsContact O-CG 3.24Å; L406-Q410 WeakPolarHBondContact O-CG 3.49Å; L406-Q410 PolarHBondContact O-N 3.38Å; L406-Q410 VanDerWaalsContact O-N 3.15Å; E407-Q410 PolarHBondContact O-N 2.81Å; A408-Q410 VanDerWaalsContact C-N 3.27Å; A408-Q410 PolarHBondContact O-N 3.44Å; Q410-K414 WeakPolarHBondContact O-CD 3.39Å; Q410-K414 WeakPolarHBondContact O-CG 3.31Å; Q410-K414 PolarHBondContact O-N 3.31Å |
| 411 | R | 86.3 | Confident | 84.3 | Confident | 151 Ų | 151 | 96.7 Ų | 96.7 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -73.5 | -42.4 | 173.8 | -63.8 | 158.5 | -161.7 | 173.4 | 4.2 | 110 | E407 A408 K414 A415 | E407-R411 WeakPolarHBondContact O-CD 3.4Å; E407-R411 WeakPolarHBondContact O-CG 3.47Å; E407-R411 PolarHBondContact O-N 2.71Å; E407-R411 VanDerWaalsContact O-N 3.1Å; E407-R411 PolarHBondContact O-NE 3.29Å; E407-R411 IonicContact OE2-CZ 2.59Å; E407-R411 IonicContact OE2-NE 2.77Å; E407-R411 IonicContact OE2-NH2 3.74Å; E407-R411 PolarHBondContact OE2-NH2 3.37Å; A408-R411 WeakPolarHBondContact O-CA 3.4Å; A408-R411 WeakPolarHBondContact O-CB 3.48Å; A408-R411 PolarHBondContact O-N 2.88Å; R411-K414 PolarHBondContact O-N 3.02Å; R411-A415 PolarHBondContact O-N 2.92Å |
| 412 | E | 83.9 | Confident | 84.3 | Confident | 123 Ų | 123 | 98.3 Ų | 98.3 | 58% | 0.575 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.2 | -40.5 | 175.8 | -68.6 | 174.8 | 165.9 | 0 | 0 | 112.5 | A408 T409 K414 A415 T416 | A408-E412 PolarHBondContact O-N 2.9Å; T409-E412 PolarHBondContact O-N 3.18Å; E412-K414 VanDerWaalsContact C-N 3.3Å; E412-K414 PolarHBondContact O-N 3.44Å; E412-A415 PolarHBondContact O-N 3.31Å; E412-T416 WeakPolarHBondContact O-CB 3.28Å; E412-T416 WeakPolarHBondContact O-CG2 3.16Å; E412-T416 PolarHBondContact O-N 3.43Å; E412-T416 PolarHBondContact O-OG1 3.45Å |
| 413 | L | 82 | Confident | 84.2 | Confident | 96 Ų | 96 | 99.7 Ų | 99.7 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.7 | -39.7 | 172.9 | -178.9 | 61.3 | 0 | 0 | 0 | 111.8 | T409 T416 Q417 | T409-L413 WeakPolarHBondContact O-CB 3.32Å; T409-L413 PolarHBondContact O-N 3.01Å; L413-T416 WeakPolarHBondContact CA-OG1 3.41Å; L413-T416 PolarHBondContact O-OG1 3.38Å; L413-T416 VanDerWaalsContact O-OG1 3.14Å; L413-Q417 HydrophobicContact CD1-CG 4.44Å; L413-Q417 VanDerWaalsContact O-CB 3.27Å; L413-Q417 WeakPolarHBondContact O-CB 3.29Å; L413-Q417 WeakPolarHBondContact O-CG 3.39Å; L413-Q417 PolarHBondContact O-N 2.71Å |
| 414 | K | 87.2 | Confident | 84 | Confident | 131 Ų | 131 | 101.1 Ų | 101.1 | 57% | 0.57 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70.6 | -37.5 | 176.1 | -71.4 | 165.1 | -173.5 | 163.2 | 0 | 111.9 | Q410 R411 E412 A418 | Q410-K414 WeakPolarHBondContact O-CD 3.39Å; Q410-K414 WeakPolarHBondContact O-CG 3.31Å; Q410-K414 PolarHBondContact O-N 3.31Å; R411-K414 PolarHBondContact O-N 3.02Å; E412-K414 VanDerWaalsContact C-N 3.3Å; E412-K414 PolarHBondContact O-N 3.44Å; K414-A418 PolarHBondContact O-N 3.46Å |
| 415 | A | 82.7 | Confident | 83.9 | Confident | 56 Ų | 56 | 100.2 Ų | 100.2 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.4 | -52 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R411 E412 Q417 A418 E419 | R411-A415 PolarHBondContact O-N 2.92Å; E412-A415 PolarHBondContact O-N 3.31Å; A415-Q417 VanDerWaalsContact C-N 3.32Å; A415-Q417 PolarHBondContact O-N 2.98Å; A415-A418 WeakPolarHBondContact O-CA 3.41Å; A415-A418 WeakPolarHBondContact O-CB 3.46Å; A415-A418 PolarHBondContact O-N 3.02Å; A415-E419 PolarHBondContact O-N 3Å |
| 416 | T | 82.3 | Confident | 83.9 | Confident | 79 Ų | 79 | 99 Ų | 99 | 49% | 0.485 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -35.3 | 177.7 | 51.5 | 0 | 0 | 0 | 0 | 112.5 | E412 L413 E419 L420 | E412-T416 WeakPolarHBondContact O-CB 3.28Å; E412-T416 WeakPolarHBondContact O-CG2 3.16Å; E412-T416 PolarHBondContact O-N 3.43Å; E412-T416 PolarHBondContact O-OG1 3.45Å; L413-T416 WeakPolarHBondContact CA-OG1 3.41Å; L413-T416 PolarHBondContact O-OG1 3.38Å; L413-T416 VanDerWaalsContact O-OG1 3.14Å; T416-E419 PolarHBondContact O-N 2.93Å; T416-L420 WeakPolarHBondContact O-CB 3.45Å; T416-L420 PolarHBondContact O-N 2.88Å |
| 417 | Q | 81.5 | Confident | 83.9 | Confident | 104 Ų | 104 | 102.3 Ų | 102.3 | 49% | 0.486 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 169.8 | -77.9 | 174.1 | 8.2 | 0 | 0 | 112.4 | L413 A415 L420 Q421 | L413-Q417 HydrophobicContact CD1-CG 4.44Å; L413-Q417 VanDerWaalsContact O-CB 3.27Å; L413-Q417 WeakPolarHBondContact O-CB 3.29Å; L413-Q417 WeakPolarHBondContact O-CG 3.39Å; L413-Q417 PolarHBondContact O-N 2.71Å; A415-Q417 VanDerWaalsContact C-N 3.32Å; A415-Q417 PolarHBondContact O-N 2.98Å; Q417-L420 PolarHBondContact O-N 3.33Å; Q417-Q421 WeakPolarHBondContact O-CG 3.42Å; Q417-Q421 PolarHBondContact O-N 3.39Å; Q417-Q421 VanDerWaalsContact O-N 3.11Å |
| 418 | A | 83.3 | Confident | 83.8 | Confident | 64 Ų | 64 | 102.8 Ų | 102.8 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.2 | -40.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K414 A415 Q421 K422 | K414-A418 PolarHBondContact O-N 3.46Å; A415-A418 WeakPolarHBondContact O-CA 3.41Å; A415-A418 WeakPolarHBondContact O-CB 3.46Å; A415-A418 PolarHBondContact O-N 3.02Å; A418-Q421 PolarHBondContact O-N 3.11Å; A418-K422 WeakPolarHBondContact O-CB 3.29Å; A418-K422 PolarHBondContact O-N 3.31Å |
| 419 | E | 83.3 | Confident | 83.9 | Confident | 115 Ų | 115 | 106 Ų | 106 | 54% | 0.537 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 173.6 | -66.7 | -154.5 | 131 | 0 | 0 | 112.4 | A415 T416 Q421 K422 I423 | A415-E419 PolarHBondContact O-N 3Å; T416-E419 PolarHBondContact O-N 2.93Å; E419-Q421 VanDerWaalsContact C-N 3.34Å; E419-Q421 PolarHBondContact O-N 3.4Å; E419-K422 WeakPolarHBondContact O-CB 3.48Å; E419-K422 PolarHBondContact O-N 3.01Å; E419-I423 WeakPolarHBondContact O-CB 3.37Å; E419-I423 VanDerWaalsContact O-CG1 3.3Å; E419-I423 WeakPolarHBondContact O-CG1 3.39Å; E419-I423 PolarHBondContact O-N 2.94Å |
| 420 | L | 81.1 | Confident | 83.8 | Confident | 91 Ų | 91 | 104.7 Ų | 104.7 | 48% | 0.476 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 174.8 | 178.6 | 61.9 | 0 | 0 | 0 | 112 | T416 Q417 I423 K424 | T416-L420 WeakPolarHBondContact O-CB 3.45Å; T416-L420 PolarHBondContact O-N 2.88Å; Q417-L420 PolarHBondContact O-N 3.33Å; L420-I423 PolarHBondContact O-N 3.05Å; L420-K424 WeakPolarHBondContact O-CG 3.26Å; L420-K424 PolarHBondContact O-N 3.46Å |
| 421 | Q | 83.5 | Confident | 83.8 | Confident | 122 Ų | 122 | 103 Ų | 103 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.6 | -38.8 | 175.4 | -60.9 | -65.7 | 14.2 | 0 | 0 | 111.8 | Q417 A418 E419 K424 H425 | Q417-Q421 WeakPolarHBondContact O-CG 3.42Å; Q417-Q421 PolarHBondContact O-N 3.39Å; Q417-Q421 VanDerWaalsContact O-N 3.11Å; A418-Q421 PolarHBondContact O-N 3.11Å; E419-Q421 VanDerWaalsContact C-N 3.34Å; E419-Q421 PolarHBondContact O-N 3.4Å; Q421-K424 PolarHBondContact O-N 2.87Å; Q421-H425 PolarHBondContact O-N 2.85Å |
| 422 | K | 86.6 | Confident | 83.7 | Confident | 136 Ų | 136 | 102.4 Ų | 102.4 | 59% | 0.591 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.4 | -42.5 | 174.3 | -174.8 | -176.5 | 177.5 | -172.3 | 0 | 111.8 | A418 E419 H425 L426 | A418-K422 WeakPolarHBondContact O-CB 3.29Å; A418-K422 PolarHBondContact O-N 3.31Å; E419-K422 WeakPolarHBondContact O-CB 3.48Å; E419-K422 PolarHBondContact O-N 3.01Å; K422-H425 PolarHBondContact O-N 2.99Å; K422-L426 HydrophobicContact CG-CD1 4.42Å; K422-L426 VanDerWaalsContact O-CG 3.3Å; K422-L426 WeakPolarHBondContact O-CG 3.35Å; K422-L426 PolarHBondContact O-N 3.32Å |
| 423 | I | 82.1 | Confident | 83.8 | Confident | 107 Ų | 107 | 102 Ų | 102 | 55% | 0.549 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.1 | -41.3 | 176.9 | -70 | 166.5 | 0 | 0 | 0 | 111 | E419 L420 L426 Y427 | E419-I423 WeakPolarHBondContact O-CB 3.37Å; E419-I423 VanDerWaalsContact O-CG1 3.3Å; E419-I423 WeakPolarHBondContact O-CG1 3.39Å; E419-I423 PolarHBondContact O-N 2.94Å; L420-I423 PolarHBondContact O-N 3.05Å; I423-L426 PolarHBondContact O-N 2.93Å; I423-Y427 WeakPolarHBondContact O-CB 3.45Å; I423-Y427 PolarHBondContact O-N 2.96Å |
| 424 | K | 84.8 | Confident | 83.9 | Confident | 96 Ų | 96 | 104.9 Ų | 104.9 | 42% | 0.417 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.1 | -48.9 | 173.1 | -76.9 | 172.7 | 177.2 | -178.5 | 0 | 112 | L420 Q421 L426 Y427 E428 | L420-K424 WeakPolarHBondContact O-CG 3.26Å; L420-K424 PolarHBondContact O-N 3.46Å; Q421-K424 PolarHBondContact O-N 2.87Å; K424-L426 VanDerWaalsContact C-N 3.33Å; K424-L426 PolarHBondContact O-N 3.27Å; K424-Y427 WeakPolarHBondContact O-CB 3.3Å; K424-Y427 PolarHBondContact O-N 3.3Å; K424-Y427 VanDerWaalsContact O-N 3.11Å; K424-E428 WeakPolarHBondContact O-CG 3.46Å; K424-E428 PolarHBondContact O-N 3.07Å |
| 425 | H | 85.1 | Confident | 83.7 | Confident | 114 Ų | 114 | 103.3 Ų | 103.3 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.4 | -37.2 | 178.3 | -176.3 | 53.4 | 0 | 0 | 0 | 112.9 | Q421 K422 E428 K429 | Q421-H425 PolarHBondContact O-N 2.85Å; K422-H425 PolarHBondContact O-N 2.99Å; H425-E428 IonicContact ND1-OE2 3.17Å; H425-K429 WeakPolarHBondContact O-CB 3.38Å; H425-K429 PolarHBondContact O-N 3.03Å |
| 426 | L | 86 | Confident | 83.8 | Confident | 101 Ų | 101 | 103 Ų | 103 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.9 | -35.3 | 173 | -70.8 | 172.7 | 0 | 0 | 0 | 112.5 | K422 I423 K424 A430 | K422-L426 HydrophobicContact CG-CD1 4.42Å; K422-L426 VanDerWaalsContact O-CG 3.3Å; K422-L426 WeakPolarHBondContact O-CG 3.35Å; K422-L426 PolarHBondContact O-N 3.32Å; I423-L426 PolarHBondContact O-N 2.93Å; K424-L426 VanDerWaalsContact C-N 3.33Å; K424-L426 PolarHBondContact O-N 3.27Å; L426-A430 WeakPolarHBondContact O-CB 3.41Å; L426-A430 PolarHBondContact O-N 2.73Å |
| 427 | Y | 82.2 | Confident | 83.8 | Confident | 164 Ų | 164 | 104.5 Ų | 104.5 | 64% | 0.643 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.3 | -47.2 | 174.8 | 176.3 | -93.2 | 0 | 0 | 0 | 111.8 | I423 K424 K429 A430 V431 | I423-Y427 WeakPolarHBondContact O-CB 3.45Å; I423-Y427 PolarHBondContact O-N 2.96Å; K424-Y427 WeakPolarHBondContact O-CB 3.3Å; K424-Y427 PolarHBondContact O-N 3.3Å; K424-Y427 VanDerWaalsContact O-N 3.11Å; Y427-K429 VanDerWaalsContact C-N 3.34Å; Y427-K429 PolarHBondContact O-N 2.96Å; Y427-A430 WeakPolarHBondContact O-CB 3.4Å; Y427-A430 PolarHBondContact O-N 2.69Å; Y427-A430 VanDerWaalsContact O-N 3.12Å; Y427-V431 HydrophobicContact CD1-CG2 4.31Å; Y427-V431 HydrophobicContact CE1-CG2 3.89Å; Y427-V431 HydrophobicContact CE2-CG2 4.5Å; Y427-V431 WeakPolarHBondContact O-CG2 3.25Å; Y427-V431 PolarHBondContact O-N 2.96Å |
| 428 | E | 84.8 | Confident | 83.9 | Confident | 109 Ų | 109 | 102.3 Ų | 102.3 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -54.8 | -50 | 174 | -71.6 | 162.1 | 178.2 | 0 | 0 | 110.6 | K424 H425 A430 V431 E432 | K424-E428 WeakPolarHBondContact O-CG 3.46Å; K424-E428 PolarHBondContact O-N 3.07Å; H425-E428 IonicContact ND1-OE2 3.17Å; E428-A430 VanDerWaalsContact C-N 3.32Å; E428-A430 PolarHBondContact O-N 3.04Å; E428-V431 WeakPolarHBondContact O-CB 3.24Å; E428-V431 PolarHBondContact O-N 3.28Å; E428-V431 VanDerWaalsContact O-N 3.09Å; E428-E432 PolarHBondContact O-N 3.23Å |
| 429 | K | 85.2 | Confident | 84 | Confident | 102 Ų | 102 | 107.3 Ų | 107.3 | 44% | 0.443 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.8 | -35.4 | 176.1 | -173 | 173.2 | -176.9 | 173.8 | 0 | 113.4 | H425 Y427 E432 Q433 | H425-K429 WeakPolarHBondContact O-CB 3.38Å; H425-K429 PolarHBondContact O-N 3.03Å; Y427-K429 VanDerWaalsContact C-N 3.34Å; Y427-K429 PolarHBondContact O-N 2.96Å; K429-E432 PolarHBondContact O-N 2.83Å; K429-Q433 WeakPolarHBondContact O-CB 3.25Å; K429-Q433 VanDerWaalsContact O-CG 3.3Å; K429-Q433 WeakPolarHBondContact O-CG 3.4Å; K429-Q433 PolarHBondContact O-N 3.4Å |
| 430 | A | 82.7 | Confident | 84.2 | Confident | 49 Ų | 49 | 107.1 Ų | 107.1 | 41% | 0.405 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.4 | -32.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L426 Y427 E428 K434 | L426-A430 WeakPolarHBondContact O-CB 3.41Å; L426-A430 PolarHBondContact O-N 2.73Å; Y427-A430 WeakPolarHBondContact O-CB 3.4Å; Y427-A430 PolarHBondContact O-N 2.69Å; Y427-A430 VanDerWaalsContact O-N 3.12Å; E428-A430 VanDerWaalsContact C-N 3.32Å; E428-A430 PolarHBondContact O-N 3.04Å; A430-K434 WeakPolarHBondContact O-CB 3.29Å; A430-K434 PolarHBondContact O-N 3.12Å |
| 431 | V | 83.2 | Confident | 84.2 | Confident | 52 Ų | 52 | 107.1 Ų | 107.1 | 32% | 0.315 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.4 | -44.7 | 171.5 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | Y427 E428 Q433 K434 E435 | Y427-V431 HydrophobicContact CD1-CG2 4.31Å; Y427-V431 HydrophobicContact CE1-CG2 3.89Å; Y427-V431 HydrophobicContact CE2-CG2 4.5Å; Y427-V431 WeakPolarHBondContact O-CG2 3.25Å; Y427-V431 PolarHBondContact O-N 2.96Å; E428-V431 WeakPolarHBondContact O-CB 3.24Å; E428-V431 PolarHBondContact O-N 3.28Å; E428-V431 VanDerWaalsContact O-N 3.09Å; V431-Q433 VanDerWaalsContact C-N 3.34Å; V431-Q433 PolarHBondContact O-N 2.87Å; V431-K434 WeakPolarHBondContact O-CB 3.3Å; V431-K434 PolarHBondContact O-N 3.33Å; V431-E435 PolarHBondContact O-N 2.62Å |
| 432 | E | 85.1 | Confident | 84.5 | Confident | 139 Ų | 139 | 107.4 Ų | 107.4 | 65% | 0.65 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -57.8 | -44.9 | 173.2 | -69.3 | -179.6 | 155.2 | 0 | 0 | 112 | E428 K429 E435 A436 | E428-E432 PolarHBondContact O-N 3.23Å; K429-E432 PolarHBondContact O-N 2.83Å; E432-E435 PolarHBondContact O-N 3.48Å; E432-A436 PolarHBondContact O-N 2.87Å |
| 433 | Q | 84.3 | Confident | 84.5 | Confident | 115 Ų | 115 | 106.5 Ų | 106.5 | 54% | 0.537 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 176.1 | -75.8 | 178.2 | -22.4 | 0 | 0 | 112.3 | K429 V431 E435 A436 L437 | K429-Q433 WeakPolarHBondContact O-CB 3.25Å; K429-Q433 VanDerWaalsContact O-CG 3.3Å; K429-Q433 WeakPolarHBondContact O-CG 3.4Å; K429-Q433 PolarHBondContact O-N 3.4Å; V431-Q433 VanDerWaalsContact C-N 3.34Å; V431-Q433 PolarHBondContact O-N 2.87Å; Q433-E435 VanDerWaalsContact C-N 3.34Å; Q433-E435 PolarHBondContact O-N 2.87Å; Q433-A436 PolarHBondContact O-N 3.3Å; Q433-L437 WeakPolarHBondContact O-CB 3.37Å; Q433-L437 WeakPolarHBondContact O-CG 3.37Å; Q433-L437 PolarHBondContact O-N 3.06Å |
| 434 | K | 84.7 | Confident | 84.6 | Confident | 156 Ų | 156 | 106 Ų | 106 | 68% | 0.678 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.4 | -41.3 | 173.8 | 179.5 | -171 | 172.7 | -170 | 0 | 111.5 | A430 V431 A438 | A430-K434 WeakPolarHBondContact O-CB 3.29Å; A430-K434 PolarHBondContact O-N 3.12Å; V431-K434 WeakPolarHBondContact O-CB 3.3Å; V431-K434 PolarHBondContact O-N 3.33Å; K434-A438 WeakPolarHBondContact O-CB 3.48Å; K434-A438 PolarHBondContact O-N 3.49Å |
| 435 | E | 84 | Confident | 84.7 | Confident | 98 Ų | 98 | 107 Ų | 107 | 46% | 0.458 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 175.1 | -77.6 | -163.4 | -157.1 | 0 | 0 | 112.6 | V431 E432 Q433 A438 R439 | V431-E435 PolarHBondContact O-N 2.62Å; E432-E435 PolarHBondContact O-N 3.48Å; Q433-E435 VanDerWaalsContact C-N 3.34Å; Q433-E435 PolarHBondContact O-N 2.87Å; E435-A438 PolarHBondContact O-N 2.9Å; E435-R439 VanDerWaalsContact O-CG 3.23Å; E435-R439 WeakPolarHBondContact O-CG 3.35Å; E435-R439 PolarHBondContact O-N 3.46Å; E435-R439 IonicContact OE2-CZ 3.7Å; E435-R439 IonicContact OE2-NE 3.25Å; E435-R439 IonicContact OE2-NH2 2.65Å; E435-R439 PolarHBondContact OE2-NH2 3.26Å |
| 436 | A | 83.2 | Confident | 84.8 | Confident | 51 Ų | 51 | 105 Ų | 105 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.1 | -49 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | E432 Q433 A438 R439 E440 | E432-A436 PolarHBondContact O-N 2.87Å; Q433-A436 PolarHBondContact O-N 3.3Å; A436-A438 VanDerWaalsContact C-N 3.31Å; A436-A438 PolarHBondContact O-N 3.02Å; A436-R439 PolarHBondContact O-N 2.87Å; A436-E440 WeakPolarHBondContact O-CB 3.49Å; A436-E440 PolarHBondContact O-N 3.46Å |
| 437 | L | 82.4 | Confident | 84.9 | Confident | 109 Ų | 109 | 103 Ų | 103 | 57% | 0.571 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.4 | -33.2 | 175.7 | -70.6 | 170.1 | 0 | 0 | 0 | 112.8 | Q433 N441 | Q433-L437 WeakPolarHBondContact O-CB 3.37Å; Q433-L437 WeakPolarHBondContact O-CG 3.37Å; Q433-L437 PolarHBondContact O-N 3.06Å; L437-N441 WeakPolarHBondContact O-CB 3.35Å; L437-N441 PolarHBondContact O-N 3.48Å |
| 438 | A | 84.5 | Confident | 84.9 | Confident | 59 Ų | 59 | 99.5 Ų | 99.5 | 49% | 0.488 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.9 | -38.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K434 E435 A436 K442 | K434-A438 WeakPolarHBondContact O-CB 3.48Å; K434-A438 PolarHBondContact O-N 3.49Å; E435-A438 PolarHBondContact O-N 2.9Å; A436-A438 VanDerWaalsContact C-N 3.31Å; A436-A438 PolarHBondContact O-N 3.02Å; A438-K442 WeakPolarHBondContact O-CB 3.47Å; A438-K442 PolarHBondContact O-N 3.36Å |
| 439 | R | 85.6 | Confident | 85.1 | Confident | 169 Ų | 169 | 99.6 Ų | 99.6 | 64% | 0.638 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.6 | -41.8 | 174.5 | -64.1 | 164.4 | -158.9 | -174.3 | 7.5 | 111.1 | E435 A436 K442 K443 | E435-R439 VanDerWaalsContact O-CG 3.23Å; E435-R439 WeakPolarHBondContact O-CG 3.35Å; E435-R439 PolarHBondContact O-N 3.46Å; E435-R439 IonicContact OE2-CZ 3.7Å; E435-R439 IonicContact OE2-NE 3.25Å; E435-R439 IonicContact OE2-NH2 2.65Å; E435-R439 PolarHBondContact OE2-NH2 3.26Å; A436-R439 PolarHBondContact O-N 2.87Å; R439-K442 PolarHBondContact O-N 3.12Å; R439-K443 PolarHBondContact O-N 3.44Å |
| 440 | E | 86 | Confident | 85.2 | Confident | 111 Ų | 111 | 101.3 Ų | 101.3 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.8 | -46.6 | 175.8 | -176.2 | 174.4 | -159.1 | 0 | 0 | 112 | A436 K442 K443 L444 | A436-E440 WeakPolarHBondContact O-CB 3.49Å; A436-E440 PolarHBondContact O-N 3.46Å; E440-K442 VanDerWaalsContact C-N 3.32Å; E440-K442 PolarHBondContact O-N 2.94Å; E440-K443 WeakPolarHBondContact O-CB 3.35Å; E440-K443 PolarHBondContact O-N 3.09Å; E440-K443 VanDerWaalsContact O-N 3.13Å; E440-L444 HydrophobicContact CG-CD1 4.17Å; E440-L444 WeakPolarHBondContact O-CG 3.44Å; E440-L444 PolarHBondContact O-N 2.77Å |
| 441 | N | 82.4 | Confident | 85.3 | Confident | 90 Ų | 90 | 101.8 Ų | 101.8 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 176.1 | -169.5 | -22 | 0 | 0 | 0 | 111.2 | L437 L444 Q445 | L437-N441 WeakPolarHBondContact O-CB 3.35Å; L437-N441 PolarHBondContact O-N 3.48Å; N441-L444 PolarHBondContact O-N 2.92Å; N441-Q445 WeakPolarHBondContact O-CG 3.35Å; N441-Q445 PolarHBondContact O-N 3.41Å; N441-Q445 PolarHBondContact OD1-NE2 3.25Å |
| 442 | K | 88.5 | Confident | 85.4 | Confident | 129 Ų | 129 | 105.3 Ų | 105.3 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.3 | -49.6 | 171.1 | -166.2 | -161.4 | 167.9 | -163.2 | 0 | 111.3 | A438 R439 E440 L444 Q445 D446 | A438-K442 WeakPolarHBondContact O-CB 3.47Å; A438-K442 PolarHBondContact O-N 3.36Å; R439-K442 PolarHBondContact O-N 3.12Å; E440-K442 VanDerWaalsContact C-N 3.32Å; E440-K442 PolarHBondContact O-N 2.94Å; K442-L444 VanDerWaalsContact C-N 3.27Å; K442-L444 PolarHBondContact O-N 2.96Å; K442-Q445 WeakPolarHBondContact O-CA 3.5Å; K442-Q445 WeakPolarHBondContact O-CB 3.08Å; K442-Q445 PolarHBondContact O-N 3.08Å; K442-D446 VanDerWaalsContact CE-OD2 3.31Å; K442-D446 WeakPolarHBondContact CE-OD2 3.31Å; K442-D446 IonicContact NZ-OD2 3.69Å; K442-D446 PolarHBondContact O-N 3.41Å |
| 443 | K | 88.2 | Confident | 85.5 | Confident | 117 Ų | 117 | 104.3 Ų | 104.3 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -55.1 | -43.9 | 176.8 | -169.6 | -157.8 | 177.9 | -56.2 | 0 | 111.4 | R439 E440 Q445 D446 D447 | R439-K443 PolarHBondContact O-N 3.44Å; E440-K443 WeakPolarHBondContact O-CB 3.35Å; E440-K443 PolarHBondContact O-N 3.09Å; E440-K443 VanDerWaalsContact O-N 3.13Å; K443-Q445 VanDerWaalsContact C-N 3.31Å; K443-Q445 PolarHBondContact O-N 2.9Å; K443-D446 PolarHBondContact O-N 2.86Å; K443-D447 IonicContact NZ-OD1 2.68Å; K443-D447 PolarHBondContact NZ-OD1 2.88Å; K443-D447 IonicContact NZ-OD2 2.65Å; K443-D447 PolarHBondContact NZ-OD2 3.42Å; K443-D447 WeakPolarHBondContact O-CB 3.4Å; K443-D447 PolarHBondContact O-N 3.01Å |
| 444 | L | 83.8 | Confident | 85.5 | Confident | 96 Ų | 96 | 101.8 Ų | 101.8 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.9 | -27.3 | 177.8 | -68.9 | 170.7 | 0 | 0 | 0 | 113.2 | E440 N441 K442 L448 | E440-L444 HydrophobicContact CG-CD1 4.17Å; E440-L444 WeakPolarHBondContact O-CG 3.44Å; E440-L444 PolarHBondContact O-N 2.77Å; N441-L444 PolarHBondContact O-N 2.92Å; K442-L444 VanDerWaalsContact C-N 3.27Å; K442-L444 PolarHBondContact O-N 2.96Å; L444-L448 WeakPolarHBondContact O-CB 3.48Å; L444-L448 PolarHBondContact O-N 3.12Å |
| 445 | Q | 86.2 | Confident | 85.5 | Confident | 117 Ų | 117 | 99.2 Ų | 99.2 | 55% | 0.547 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -73.4 | -40.5 | 170.8 | -71.7 | 172.8 | 30.3 | 0 | 0 | 111.9 | N441 K442 K443 L448 H449 | N441-Q445 WeakPolarHBondContact O-CG 3.35Å; N441-Q445 PolarHBondContact O-N 3.41Å; N441-Q445 PolarHBondContact OD1-NE2 3.25Å; K442-Q445 WeakPolarHBondContact O-CA 3.5Å; K442-Q445 WeakPolarHBondContact O-CB 3.08Å; K442-Q445 PolarHBondContact O-N 3.08Å; K443-Q445 VanDerWaalsContact C-N 3.31Å; K443-Q445 PolarHBondContact O-N 2.9Å; Q445-L448 PolarHBondContact O-N 3.35Å; Q445-H449 PolarHBondContact O-N 2.85Å |
| 446 | D | 87.2 | Confident | 85.5 | Confident | 73 Ų | 73 | 96.5 Ų | 96.5 | 39% | 0.39 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.1 | -50.9 | 174.4 | -61.7 | -29 | 0 | 0 | 0 | 109.7 | K442 K443 L448 H449 E450 | K442-D446 VanDerWaalsContact CE-OD2 3.31Å; K442-D446 WeakPolarHBondContact CE-OD2 3.31Å; K442-D446 IonicContact NZ-OD2 3.69Å; K442-D446 PolarHBondContact O-N 3.41Å; K443-D446 PolarHBondContact O-N 2.86Å; D446-L448 VanDerWaalsContact C-N 3.31Å; D446-L448 PolarHBondContact O-N 3.4Å; D446-H449 WeakPolarHBondContact O-CA 3.48Å; D446-H449 WeakPolarHBondContact O-CB 3.3Å; D446-H449 PolarHBondContact O-N 2.88Å; D446-E450 PolarHBondContact O-N 3.03Å |
| 447 | D | 87.9 | Confident | 85.7 | Confident | 57 Ų | 57 | 97.2 Ų | 97.2 | 31% | 0.305 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -55.7 | -40.8 | 174 | -64.1 | -17.7 | 0 | 0 | 0 | 112 | K443 H449 A451 | K443-D447 IonicContact NZ-OD1 2.68Å; K443-D447 PolarHBondContact NZ-OD1 2.88Å; K443-D447 IonicContact NZ-OD2 2.65Å; K443-D447 PolarHBondContact NZ-OD2 3.42Å; K443-D447 WeakPolarHBondContact O-CB 3.4Å; K443-D447 PolarHBondContact O-N 3.01Å; D447-H449 VanDerWaalsContact C-N 3.34Å; D447-A451 WeakPolarHBondContact O-CB 3.21Å; D447-A451 PolarHBondContact O-N 3.45Å |
| 448 | L | 83.9 | Confident | 85.8 | Confident | 92 Ų | 92 | 94.4 Ų | 94.4 | 48% | 0.482 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.6 | -28.1 | 176.7 | 177.5 | 63.1 | 0 | 0 | 0 | 112.6 | L444 Q445 D446 K452 | L444-L448 WeakPolarHBondContact O-CB 3.48Å; L444-L448 PolarHBondContact O-N 3.12Å; Q445-L448 PolarHBondContact O-N 3.35Å; D446-L448 VanDerWaalsContact C-N 3.31Å; D446-L448 PolarHBondContact O-N 3.4Å; L448-K452 HydrophobicContact CG-CD 4.46Å; L448-K452 WeakPolarHBondContact O-CD 3.31Å; L448-K452 VanDerWaalsContact O-CG 3.27Å; L448-K452 WeakPolarHBondContact O-CG 3.43Å; L448-K452 PolarHBondContact O-N 3.25Å |
| 449 | H | 88 | Confident | 85.8 | Confident | 111 Ų | 111 | 95.8 Ų | 95.8 | 51% | 0.514 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -72.6 | -47.3 | 174.4 | -167.9 | -12.7 | 0 | 0 | 0 | 110.4 | Q445 D446 D447 A451 K452 E453 | Q445-H449 PolarHBondContact O-N 2.85Å; D446-H449 WeakPolarHBondContact O-CA 3.48Å; D446-H449 WeakPolarHBondContact O-CB 3.3Å; D446-H449 PolarHBondContact O-N 2.88Å; D447-H449 VanDerWaalsContact C-N 3.34Å; H449-A451 VanDerWaalsContact C-N 3.32Å; H449-A451 PolarHBondContact O-N 3.39Å; H449-K452 WeakPolarHBondContact O-CB 3.49Å; H449-K452 PolarHBondContact O-N 3.23Å; H449-K452 VanDerWaalsContact O-N 3.12Å; H449-E453 IonicContact CE1-OE1 2.66Å; H449-E453 PolarHBondContact CE1-OE1 3.49Å; H449-E453 PolarHBondContact O-N 3.41Å |
| 450 | E | 87.7 | Confident | 85.7 | Confident | 138 Ų | 138 | 95.2 Ų | 95.2 | 65% | 0.645 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -57.4 | -44.8 | 174.1 | -68.2 | -175.1 | -175 | 0 | 0 | 111.2 | D446 K452 E453 A454 | D446-E450 PolarHBondContact O-N 3.03Å; E450-K452 VanDerWaalsContact C-N 3.29Å; E450-K452 PolarHBondContact O-N 3.2Å; E450-E453 PolarHBondContact O-N 3.07Å; E450-A454 WeakPolarHBondContact O-CB 3.34Å; E450-A454 PolarHBondContact O-N 3.43Å |
| 451 | A | 84.6 | Confident | 85.8 | Confident | 58 Ų | 58 | 95.4 Ų | 95.4 | 48% | 0.479 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.8 | -33.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D447 H449 L455 | D447-A451 WeakPolarHBondContact O-CB 3.21Å; D447-A451 PolarHBondContact O-N 3.45Å; H449-A451 VanDerWaalsContact C-N 3.32Å; H449-A451 PolarHBondContact O-N 3.39Å; A451-L455 WeakPolarHBondContact O-CB 3.44Å; A451-L455 PolarHBondContact O-N 3.11Å |
| 452 | K | 86 | Confident | 85.9 | Confident | 126 Ų | 126 | 95.5 Ų | 95.5 | 55% | 0.548 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -73 | -37.1 | 175 | -77.3 | 168.6 | -177.4 | 170.9 | 0 | 112.6 | L448 H449 E450 L455 A456 | L448-K452 HydrophobicContact CG-CD 4.46Å; L448-K452 WeakPolarHBondContact O-CD 3.31Å; L448-K452 VanDerWaalsContact O-CG 3.27Å; L448-K452 WeakPolarHBondContact O-CG 3.43Å; L448-K452 PolarHBondContact O-N 3.25Å; H449-K452 WeakPolarHBondContact O-CB 3.49Å; H449-K452 PolarHBondContact O-N 3.23Å; H449-K452 VanDerWaalsContact O-N 3.12Å; E450-K452 VanDerWaalsContact C-N 3.29Å; E450-K452 PolarHBondContact O-N 3.2Å; K452-L455 PolarHBondContact O-N 2.88Å; K452-A456 WeakPolarHBondContact O-CB 3.28Å; K452-A456 PolarHBondContact O-N 3.04Å |
| 453 | E | 86 | Confident | 85.8 | Confident | 118 Ų | 118 | 94.9 Ų | 94.9 | 55% | 0.551 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.5 | -43.4 | 174.5 | -66.3 | -163.1 | 147 | 0 | 0 | 111.2 | H449 E450 L455 A456 D457 | H449-E453 IonicContact CE1-OE1 2.66Å; H449-E453 PolarHBondContact CE1-OE1 3.49Å; H449-E453 PolarHBondContact O-N 3.41Å; E450-E453 PolarHBondContact O-N 3.07Å; E453-L455 VanDerWaalsContact C-N 3.3Å; E453-L455 PolarHBondContact O-N 3.06Å; E453-A456 WeakPolarHBondContact O-CB 3.32Å; E453-A456 PolarHBondContact O-N 3.39Å; E453-A456 VanDerWaalsContact O-N 3.11Å; E453-D457 PolarHBondContact O-N 3.01Å |
| 454 | A | 85.7 | Confident | 85.7 | Confident | 62 Ų | 62 | 95.3 Ų | 95.3 | 51% | 0.512 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.9 | -39.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E450 A458 | E450-A454 WeakPolarHBondContact O-CB 3.34Å; E450-A454 PolarHBondContact O-N 3.43Å; A454-A458 VanDerWaalsContact O-CB 3.31Å; A454-A458 WeakPolarHBondContact O-CB 3.3Å; A454-A458 PolarHBondContact O-N 2.9Å |
| 455 | L | 82.9 | Confident | 85.7 | Confident | 102 Ų | 102 | 95.2 Ų | 95.2 | 53% | 0.534 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.4 | -38.5 | 173.7 | -179 | 62 | 0 | 0 | 0 | 112.4 | A451 K452 E453 A458 N459 | A451-L455 WeakPolarHBondContact O-CB 3.44Å; A451-L455 PolarHBondContact O-N 3.11Å; K452-L455 PolarHBondContact O-N 2.88Å; E453-L455 VanDerWaalsContact C-N 3.3Å; E453-L455 PolarHBondContact O-N 3.06Å; L455-A458 PolarHBondContact O-N 3.21Å; L455-N459 WeakPolarHBondContact O-CB 3.26Å; L455-N459 VanDerWaalsContact O-CG 3.27Å; L455-N459 PolarHBondContact O-N 3.38Å; L455-N459 PolarHBondContact O-ND2 3.01Å; L455-N459 VanDerWaalsContact O-ND2 3.1Å |
| 456 | A | 85.6 | Confident | 85.5 | Confident | 41 Ų | 41 | 93.8 Ų | 93.8 | 34% | 0.339 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K452 E453 N459 R460 | K452-A456 WeakPolarHBondContact O-CB 3.28Å; K452-A456 PolarHBondContact O-N 3.04Å; E453-A456 WeakPolarHBondContact O-CB 3.32Å; E453-A456 PolarHBondContact O-N 3.39Å; E453-A456 VanDerWaalsContact O-N 3.11Å; A456-N459 PolarHBondContact O-N 2.73Å; A456-R460 WeakPolarHBondContact O-CG 3.4Å; A456-R460 PolarHBondContact O-N 3.09Å |
| 457 | D | 86.2 | Confident | 85.4 | Confident | 66 Ų | 66 | 95.1 Ų | 95.1 | 35% | 0.353 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70 | -34.3 | 174.9 | -98.7 | 17.9 | 0 | 0 | 0 | 113.3 | E453 R460 K461 | E453-D457 PolarHBondContact O-N 3.01Å; D457-R460 PolarHBondContact O-N 2.68Å; D457-R460 WeakPolarHBondContact OD1-CD 3.26Å; D457-R460 IonicContact OD1-CZ 2.58Å; D457-R460 IonicContact OD1-NE 3.94Å; D457-R460 IonicContact OD1-NH1 2.67Å; D457-R460 PolarHBondContact OD1-NH1 3.29Å; D457-K461 WeakPolarHBondContact O-CD 3.4Å; D457-K461 WeakPolarHBondContact O-CG 3.49Å; D457-K461 PolarHBondContact O-N 3.49Å |
| 458 | A | 84 | Confident | 85.3 | Confident | 50 Ų | 50 | 97.4 Ų | 97.4 | 41% | 0.413 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 171 | 0 | 0 | 0 | 0 | 0 | 111.3 | A454 L455 K461 L462 | A454-A458 VanDerWaalsContact O-CB 3.31Å; A454-A458 WeakPolarHBondContact O-CB 3.3Å; A454-A458 PolarHBondContact O-N 2.9Å; L455-A458 PolarHBondContact O-N 3.21Å; A458-K461 PolarHBondContact O-N 2.93Å; A458-L462 WeakPolarHBondContact O-CB 3.41Å; A458-L462 PolarHBondContact O-N 2.97Å |
| 459 | N | 84.8 | Confident | 85.1 | Confident | 88 Ų | 88 | 97.8 Ų | 97.8 | 47% | 0.471 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.5 | -35.2 | 176.1 | -73.1 | -35.2 | 0 | 0 | 0 | 112.8 | L455 A456 H463 | L455-N459 WeakPolarHBondContact O-CB 3.26Å; L455-N459 VanDerWaalsContact O-CG 3.27Å; L455-N459 PolarHBondContact O-N 3.38Å; L455-N459 PolarHBondContact O-ND2 3.01Å; L455-N459 VanDerWaalsContact O-ND2 3.1Å; A456-N459 PolarHBondContact O-N 2.73Å; N459-H463 PolarHBondContact O-N 3.43Å |
| 460 | R | 84.4 | Confident | 84.9 | Confident | 158 Ų | 158 | 95.4 Ų | 95.4 | 60% | 0.596 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.3 | -52 | 170.7 | -73.6 | 167.9 | 179.4 | 155.6 | -2.1 | 111 | A456 D457 L462 H463 E464 | A456-R460 WeakPolarHBondContact O-CG 3.4Å; A456-R460 PolarHBondContact O-N 3.09Å; D457-R460 PolarHBondContact O-N 2.68Å; D457-R460 WeakPolarHBondContact OD1-CD 3.26Å; D457-R460 IonicContact OD1-CZ 2.58Å; D457-R460 IonicContact OD1-NE 3.94Å; D457-R460 IonicContact OD1-NH1 2.67Å; D457-R460 PolarHBondContact OD1-NH1 3.29Å; R460-L462 VanDerWaalsContact C-N 3.33Å; R460-L462 PolarHBondContact O-N 3.32Å; R460-H463 PolarHBondContact O-N 2.9Å; R460-H463 VanDerWaalsContact O-N 3.12Å; R460-E464 WeakPolarHBondContact O-CG 3.49Å; R460-E464 PolarHBondContact O-N 2.95Å |
| 461 | K | 87.2 | Confident | 84.8 | Confident | 114 Ų | 114 | 95.4 Ų | 95.4 | 50% | 0.496 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.1 | -37.6 | 178.5 | -72 | 162.8 | -175.5 | 157.4 | 0 | 112.5 | D457 A458 E464 L465 | D457-K461 WeakPolarHBondContact O-CD 3.4Å; D457-K461 WeakPolarHBondContact O-CG 3.49Å; D457-K461 PolarHBondContact O-N 3.49Å; A458-K461 PolarHBondContact O-N 2.93Å; K461-E464 PolarHBondContact O-N 3.28Å; K461-L465 WeakPolarHBondContact O-CB 3.48Å; K461-L465 VanDerWaalsContact O-CG 3.25Å; K461-L465 WeakPolarHBondContact O-CG 3.36Å; K461-L465 PolarHBondContact O-N 3.33Å |
| 462 | L | 85.3 | Confident | 84.7 | Confident | 93 Ų | 93 | 95.9 Ų | 95.9 | 49% | 0.487 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 173.1 | -177.4 | 64.6 | 0 | 0 | 0 | 111 | A458 R460 L465 D466 | A458-L462 WeakPolarHBondContact O-CB 3.41Å; A458-L462 PolarHBondContact O-N 2.97Å; R460-L462 VanDerWaalsContact C-N 3.33Å; R460-L462 PolarHBondContact O-N 3.32Å; L462-L465 PolarHBondContact O-N 3.49Å; L462-D466 WeakPolarHBondContact O-CB 3.3Å; L462-D466 PolarHBondContact O-N 3.44Å |
| 463 | H | 86.6 | Confident | 84.4 | Confident | 116 Ų | 116 | 91.5 Ų | 91.5 | 54% | 0.537 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.8 | -37.1 | 178 | -168.8 | 52.9 | 0 | 0 | 0 | 113 | N459 R460 D466 L467 | N459-H463 PolarHBondContact O-N 3.43Å; R460-H463 PolarHBondContact O-N 2.9Å; R460-H463 VanDerWaalsContact O-N 3.12Å; H463-D466 PolarHBondContact O-N 2.78Å; H463-L467 VanDerWaalsContact O-CG 3.29Å; H463-L467 WeakPolarHBondContact O-CG 3.27Å; H463-L467 PolarHBondContact O-N 2.91Å |
| 464 | E | 86.3 | Confident | 84.2 | Confident | 125 Ų | 125 | 86.8 Ų | 86.8 | 58% | 0.584 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.6 | -44.6 | 171.7 | -71.1 | 167.5 | 174.8 | 0 | 0 | 111.4 | R460 K461 L467 E468 | R460-E464 WeakPolarHBondContact O-CG 3.49Å; R460-E464 PolarHBondContact O-N 2.95Å; K461-E464 PolarHBondContact O-N 3.28Å; E464-L467 PolarHBondContact O-N 3.12Å; E464-E468 PolarHBondContact O-N 3.23Å |
| 465 | L | 83.7 | Confident | 84.1 | Confident | 95 Ų | 95 | 87.3 Ų | 87.3 | 50% | 0.497 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.6 | -34.6 | 175.5 | -71.4 | 168.5 | 0 | 0 | 0 | 112.9 | K461 L462 E468 N469 | K461-L465 WeakPolarHBondContact O-CB 3.48Å; K461-L465 VanDerWaalsContact O-CG 3.25Å; K461-L465 WeakPolarHBondContact O-CG 3.36Å; K461-L465 PolarHBondContact O-N 3.33Å; L462-L465 PolarHBondContact O-N 3.49Å; L465-E468 PolarHBondContact O-N 3.37Å; L465-N469 VanDerWaalsContact O-CB 3.27Å; L465-N469 WeakPolarHBondContact O-CB 3.24Å; L465-N469 VanDerWaalsContact O-CG 3.32Å; L465-N469 PolarHBondContact O-N 3.43Å; L465-N469 PolarHBondContact O-ND2 2.86Å |
| 466 | D | 81.9 | Confident | 84 | Confident | 86 Ų | 86 | 87 Ų | 87 | 46% | 0.46 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.1 | -39 | 173.7 | -78.7 | -26.3 | 0 | 0 | 0 | 111.6 | L462 H463 A470 | L462-D466 WeakPolarHBondContact O-CB 3.3Å; L462-D466 PolarHBondContact O-N 3.44Å; H463-D466 PolarHBondContact O-N 2.78Å; D466-A470 VanDerWaalsContact O-CB 3.32Å; D466-A470 WeakPolarHBondContact O-CB 3.28Å; D466-A470 PolarHBondContact O-N 3.15Å |
| 467 | L | 85 | Confident | 83.9 | Confident | 102 Ų | 102 | 92.4 Ų | 92.4 | 53% | 0.534 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.3 | -40.9 | 173.3 | -71.8 | 167.9 | 0 | 0 | 0 | 111.6 | H463 E464 A470 R471 | H463-L467 VanDerWaalsContact O-CG 3.29Å; H463-L467 WeakPolarHBondContact O-CG 3.27Å; H463-L467 PolarHBondContact O-N 2.91Å; E464-L467 PolarHBondContact O-N 3.12Å; L467-A470 PolarHBondContact O-N 2.93Å; L467-R471 WeakPolarHBondContact O-CB 3.28Å; L467-R471 PolarHBondContact O-N 3.28Å |
| 468 | E | 85.3 | Confident | 83.7 | Confident | 105 Ų | 105 | 96 Ų | 96 | 49% | 0.491 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.8 | -43.3 | 174.3 | -174.6 | 163.8 | -145.3 | 0 | 0 | 111.9 | E464 L465 A470 R471 L472 | E464-E468 PolarHBondContact O-N 3.23Å; L465-E468 PolarHBondContact O-N 3.37Å; E468-A470 VanDerWaalsContact C-N 3.32Å; E468-A470 PolarHBondContact O-N 3.23Å; E468-R471 WeakPolarHBondContact O-CB 3.5Å; E468-R471 PolarHBondContact O-N 2.88Å; E468-R471 VanDerWaalsContact O-N 3.12Å; E468-L472 HydrophobicContact CG-CD1 4Å; E468-L472 HydrophobicContact CG-CG 4.34Å; E468-L472 WeakPolarHBondContact O-CB 3.47Å; E468-L472 WeakPolarHBondContact O-CG 3.48Å; E468-L472 PolarHBondContact O-N 2.83Å |
| 469 | N | 80.9 | Confident | 83.5 | Confident | 99 Ų | 99 | 99.4 Ų | 99.4 | 53% | 0.529 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59 | -41.1 | 172.5 | -83.3 | -47.6 | 0 | 0 | 0 | 111.9 | L465 R471 L472 A473 | L465-N469 VanDerWaalsContact O-CB 3.27Å; L465-N469 WeakPolarHBondContact O-CB 3.24Å; L465-N469 VanDerWaalsContact O-CG 3.32Å; L465-N469 PolarHBondContact O-N 3.43Å; L465-N469 PolarHBondContact O-ND2 2.86Å; N469-R471 VanDerWaalsContact C-N 3.34Å; N469-L472 PolarHBondContact O-N 3.01Å; N469-A473 WeakPolarHBondContact O-CB 3.44Å; N469-A473 PolarHBondContact O-N 2.92Å |
| 470 | A | 82.6 | Confident | 83.3 | Confident | 62 Ų | 62 | 100.1 Ų | 100.1 | 51% | 0.512 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.6 | -38.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D466 L467 E468 G474 | D466-A470 VanDerWaalsContact O-CB 3.32Å; D466-A470 WeakPolarHBondContact O-CB 3.28Å; D466-A470 PolarHBondContact O-N 3.15Å; L467-A470 PolarHBondContact O-N 2.93Å; E468-A470 VanDerWaalsContact C-N 3.32Å; E468-A470 PolarHBondContact O-N 3.23Å; A470-G474 PolarHBondContact O-N 3.22Å |
| 471 | R | 86.8 | Confident | 83.3 | Confident | 138 Ų | 138 | 96.3 Ų | 96.3 | 52% | 0.521 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.2 | -50 | 175 | -155 | -171 | 85.4 | 68.5 | 13.4 | 111.4 | L467 E468 N469 A473 G474 E475 | L467-R471 WeakPolarHBondContact O-CB 3.28Å; L467-R471 PolarHBondContact O-N 3.28Å; E468-R471 WeakPolarHBondContact O-CB 3.5Å; E468-R471 PolarHBondContact O-N 2.88Å; E468-R471 VanDerWaalsContact O-N 3.12Å; N469-R471 VanDerWaalsContact C-N 3.34Å; R471-A473 PolarHBondContact O-N 3.39Å; R471-G474 WeakPolarHBondContact O-CA 3.25Å; R471-G474 PolarHBondContact O-N 3.48Å; R471-E475 IonicContact CZ-OE1 3.7Å; R471-E475 IonicContact CZ-OE2 2.68Å; R471-E475 IonicContact NH1-OE1 2.72Å; R471-E475 PolarHBondContact NH1-OE1 2.94Å; R471-E475 IonicContact NH1-OE2 2.73Å; R471-E475 IonicContact NH2-OE1 3.98Å; R471-E475 PolarHBondContact NH2-OE1 2.94Å; R471-E475 IonicContact NH2-OE2 2.97Å; R471-E475 PolarHBondContact NH2-OE2 3.24Å; R471-E475 PolarHBondContact O-N 3.36Å |
| 472 | L | 80.8 | Confident | 83.2 | Confident | 68 Ų | 68 | 93.3 Ų | 93.3 | 36% | 0.356 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.2 | -38.3 | 177.5 | -67.8 | 170 | 0 | 0 | 0 | 111.8 | E468 N469 G474 E475 I476 | E468-L472 HydrophobicContact CG-CD1 4Å; E468-L472 HydrophobicContact CG-CG 4.34Å; E468-L472 WeakPolarHBondContact O-CB 3.47Å; E468-L472 WeakPolarHBondContact O-CG 3.48Å; E468-L472 PolarHBondContact O-N 2.83Å; N469-L472 PolarHBondContact O-N 3.01Å; L472-G474 PolarHBondContact O-N 3.05Å; L472-E475 PolarHBondContact O-N 3Å; L472-I476 WeakPolarHBondContact O-CB 3.46Å; L472-I476 VanDerWaalsContact O-CG1 3.23Å; L472-I476 WeakPolarHBondContact O-CG1 3.41Å; L472-I476 PolarHBondContact O-N 3Å |
| 473 | A | 81.5 | Confident | 82.9 | Confident | 34 Ų | 34 | 93.8 Ų | 93.8 | 28% | 0.281 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.1 | -25.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N469 R471 R477 | N469-A473 WeakPolarHBondContact O-CB 3.44Å; N469-A473 PolarHBondContact O-N 2.92Å; R471-A473 PolarHBondContact O-N 3.39Å; A473-R477 WeakPolarHBondContact O-CG 3.31Å; A473-R477 PolarHBondContact O-N 3.35Å; A473-R477 PolarHBondContact O-NH1 2.99Å |
| 474 | G | 80.7 | Confident | 82.8 | Confident | 19 Ų | 19 | 94.8 Ų | 94.8 | 20% | 0.196 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -65.3 | -59.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A470 R471 L472 I476 R477 E478 | A470-G474 PolarHBondContact O-N 3.22Å; R471-G474 WeakPolarHBondContact O-CA 3.25Å; R471-G474 PolarHBondContact O-N 3.48Å; L472-G474 PolarHBondContact O-N 3.05Å; G474-I476 VanDerWaalsContact C-N 3.26Å; G474-I476 PolarHBondContact O-N 2.77Å; G474-R477 WeakPolarHBondContact O-CB 3.36Å; G474-R477 PolarHBondContact O-N 3.23Å; G474-E478 PolarHBondContact O-N 3.2Å |
| 475 | E | 83.7 | Confident | 82.6 | Confident | 73 Ų | 73 | 95.1 Ų | 95.1 | 34% | 0.341 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57 | -37.5 | -179.7 | -67.5 | -179.5 | 155.4 | 0 | 0 | 112.3 | R471 L472 R477 E478 L479 | R471-E475 IonicContact CZ-OE1 3.7Å; R471-E475 IonicContact CZ-OE2 2.68Å; R471-E475 IonicContact NH1-OE1 2.72Å; R471-E475 PolarHBondContact NH1-OE1 2.94Å; R471-E475 IonicContact NH1-OE2 2.73Å; R471-E475 IonicContact NH2-OE1 3.98Å; R471-E475 PolarHBondContact NH2-OE1 2.94Å; R471-E475 IonicContact NH2-OE2 2.97Å; R471-E475 PolarHBondContact NH2-OE2 3.24Å; R471-E475 PolarHBondContact O-N 3.36Å; L472-E475 PolarHBondContact O-N 3Å; E475-R477 PolarHBondContact O-N 3Å; E475-E478 PolarHBondContact O-N 2.96Å; E475-L479 WeakPolarHBondContact O-CB 3.27Å; E475-L479 VanDerWaalsContact O-CG 3.24Å; E475-L479 WeakPolarHBondContact O-CG 3.41Å; E475-L479 PolarHBondContact O-N 2.93Å |
| 476 | I | 81.4 | Confident | 82.4 | Confident | 94 Ų | 94 | 93.5 Ų | 93.5 | 48% | 0.482 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 174.2 | -72.1 | 165.4 | 0 | 0 | 0 | 111.8 | L472 G474 Q480 | L472-I476 WeakPolarHBondContact O-CB 3.46Å; L472-I476 VanDerWaalsContact O-CG1 3.23Å; L472-I476 WeakPolarHBondContact O-CG1 3.41Å; L472-I476 PolarHBondContact O-N 3Å; G474-I476 VanDerWaalsContact C-N 3.26Å; G474-I476 PolarHBondContact O-N 2.77Å; I476-Q480 WeakPolarHBondContact O-CB 3.49Å; I476-Q480 VanDerWaalsContact O-CG 3.23Å; I476-Q480 WeakPolarHBondContact O-CG 3.43Å; I476-Q480 PolarHBondContact O-N 3.39Å |
| 477 | R | 83.4 | Confident | 82.3 | Confident | 156 Ų | 156 | 92.5 Ų | 92.5 | 59% | 0.589 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -68.8 | -41.8 | 176.2 | -69.9 | 179.7 | -148.7 | 107.5 | -0.4 | 111.4 | A473 G474 E475 Q480 V481 | A473-R477 WeakPolarHBondContact O-CG 3.31Å; A473-R477 PolarHBondContact O-N 3.35Å; A473-R477 PolarHBondContact O-NH1 2.99Å; G474-R477 WeakPolarHBondContact O-CB 3.36Å; G474-R477 PolarHBondContact O-N 3.23Å; E475-R477 PolarHBondContact O-N 3Å; R477-Q480 PolarHBondContact O-N 2.93Å; R477-V481 WeakPolarHBondContact O-CG2 3.38Å; R477-V481 PolarHBondContact O-N 3.45Å |
| 478 | E | 81.4 | Confident | 82.2 | Confident | 140 Ų | 140 | 90 Ų | 90 | 65% | 0.654 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61.9 | -46.1 | 176.6 | -68.1 | 177.5 | -174.9 | 0 | 0 | 111.2 | G474 E475 Q480 V481 A482 | G474-E478 PolarHBondContact O-N 3.2Å; E475-E478 PolarHBondContact O-N 2.96Å; E478-Q480 VanDerWaalsContact C-N 3.32Å; E478-Q480 PolarHBondContact O-N 3.24Å; E478-V481 PolarHBondContact O-N 2.9Å; E478-V481 VanDerWaalsContact O-N 3.16Å; E478-A482 PolarHBondContact O-N 3.39Å |
| 479 | L | 80.9 | Confident | 82.1 | Confident | 123 Ų | 123 | 87.7 Ų | 87.7 | 64% | 0.644 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.2 | -34.9 | 174.3 | -70.4 | 170.3 | 0 | 0 | 0 | 112.6 | E475 L483 | E475-L479 WeakPolarHBondContact O-CB 3.27Å; E475-L479 VanDerWaalsContact O-CG 3.24Å; E475-L479 WeakPolarHBondContact O-CG 3.41Å; E475-L479 PolarHBondContact O-N 2.93Å; L479-L483 VanDerWaalsContact O-CB 3.22Å; L479-L483 WeakPolarHBondContact O-CB 3.33Å; L479-L483 PolarHBondContact O-N 2.95Å |
| 480 | Q | 80 | Confident | 82.1 | Confident | 103 Ų | 103 | 89.4 Ų | 89.4 | 48% | 0.481 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.9 | -32.2 | 173.3 | -78.4 | 177 | 13.3 | 0 | 0 | 113.3 | I476 R477 E478 K484 | I476-Q480 WeakPolarHBondContact O-CB 3.49Å; I476-Q480 VanDerWaalsContact O-CG 3.23Å; I476-Q480 WeakPolarHBondContact O-CG 3.43Å; I476-Q480 PolarHBondContact O-N 3.39Å; R477-Q480 PolarHBondContact O-N 2.93Å; E478-Q480 VanDerWaalsContact C-N 3.32Å; E478-Q480 PolarHBondContact O-N 3.24Å; Q480-K484 VanDerWaalsContact O-CG 3.32Å; Q480-K484 WeakPolarHBondContact O-CG 3.44Å; Q480-K484 PolarHBondContact O-N 2.85Å |
| 481 | V | 84.3 | Confident | 82.1 | Confident | 78 Ų | 78 | 92.3 Ų | 92.3 | 47% | 0.473 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -70.5 | -51.3 | 172.6 | 172.4 | 0 | 0 | 0 | 0 | 109.9 | R477 E478 L483 K484 E485 | R477-V481 WeakPolarHBondContact O-CG2 3.38Å; R477-V481 PolarHBondContact O-N 3.45Å; E478-V481 PolarHBondContact O-N 2.9Å; E478-V481 VanDerWaalsContact O-N 3.16Å; V481-L483 VanDerWaalsContact C-N 3.25Å; V481-L483 PolarHBondContact O-N 3.28Å; V481-K484 WeakPolarHBondContact O-CB 3.19Å; V481-K484 PolarHBondContact O-N 3.01Å; V481-E485 PolarHBondContact O-N 3.31Å |
| 482 | A | 84.4 | Confident | 82 | Confident | 50 Ų | 50 | 90.5 Ų | 90.5 | 41% | 0.413 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.8 | -36.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E478 A486 | E478-A482 PolarHBondContact O-N 3.39Å; A482-A486 VanDerWaalsContact O-CB 3.28Å; A482-A486 WeakPolarHBondContact O-CB 3.32Å; A482-A486 PolarHBondContact O-N 3.5Å |
| 483 | L | 78.8 | Confident | 82 | Confident | 103 Ų | 103 | 89.6 Ų | 89.6 | 54% | 0.539 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 173.4 | 179.9 | 62.7 | 0 | 0 | 0 | 112 | L479 V481 A486 E487 | L479-L483 VanDerWaalsContact O-CB 3.22Å; L479-L483 WeakPolarHBondContact O-CB 3.33Å; L479-L483 PolarHBondContact O-N 2.95Å; V481-L483 VanDerWaalsContact C-N 3.25Å; V481-L483 PolarHBondContact O-N 3.28Å; L483-A486 PolarHBondContact O-N 2.94Å; L483-E487 HydrophobicContact CD1-CG 4.49Å; L483-E487 WeakPolarHBondContact O-CG 3.43Å; L483-E487 PolarHBondContact O-N 3.42Å |
| 484 | K | 84.2 | Confident | 81.9 | Confident | 138 Ų | 138 | 91.6 Ų | 91.6 | 60% | 0.6 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64 | -40.2 | 177.9 | -74.3 | 169.6 | -176.9 | 174.8 | 0 | 112.1 | Q480 V481 E487 A488 | Q480-K484 VanDerWaalsContact O-CG 3.32Å; Q480-K484 WeakPolarHBondContact O-CG 3.44Å; Q480-K484 PolarHBondContact O-N 2.85Å; V481-K484 WeakPolarHBondContact O-CB 3.19Å; V481-K484 PolarHBondContact O-N 3.01Å; K484-E487 PolarHBondContact O-N 3.12Å; K484-A488 WeakPolarHBondContact O-CB 3.38Å; K484-A488 PolarHBondContact O-N 2.9Å |
| 485 | E | 82.6 | Confident | 82.1 | Confident | 131 Ų | 131 | 93.4 Ų | 93.4 | 61% | 0.612 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.4 | -44.3 | 174.9 | -68.6 | 178.7 | 172.3 | 0 | 0 | 111.5 | V481 E487 A488 A489 | V481-E485 PolarHBondContact O-N 3.31Å; E485-E487 PolarHBondContact O-N 2.92Å; E485-A488 PolarHBondContact O-N 2.91Å; E485-A489 PolarHBondContact O-N 2.61Å |
| 486 | A | 80.1 | Confident | 82.2 | Confident | 62 Ų | 62 | 97.3 Ų | 97.3 | 51% | 0.512 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A482 L483 R490 | A482-A486 VanDerWaalsContact O-CB 3.28Å; A482-A486 WeakPolarHBondContact O-CB 3.32Å; A482-A486 PolarHBondContact O-N 3.5Å; L483-A486 PolarHBondContact O-N 2.94Å; A486-R490 WeakPolarHBondContact O-CB 3.49Å; A486-R490 PolarHBondContact O-N 2.69Å |
| 487 | E | 80 | Confident | 82.2 | Confident | 65 Ų | 65 | 95.5 Ų | 95.5 | 30% | 0.304 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.6 | -38.2 | 173.5 | -71.7 | -167.5 | 163.9 | 0 | 0 | 112.8 | L483 K484 E485 R490 R491 | L483-E487 HydrophobicContact CD1-CG 4.49Å; L483-E487 WeakPolarHBondContact O-CG 3.43Å; L483-E487 PolarHBondContact O-N 3.42Å; K484-E487 PolarHBondContact O-N 3.12Å; E485-E487 PolarHBondContact O-N 2.92Å; E487-R490 WeakPolarHBondContact O-CB 3.38Å; E487-R490 PolarHBondContact O-N 3.06Å; E487-R491 VanDerWaalsContact CB-NH1 3.25Å; E487-R491 WeakPolarHBondContact O-CG 3.21Å; E487-R491 PolarHBondContact O-N 2.81Å; E487-R491 IonicContact OE2-CZ 2.75Å; E487-R491 VanDerWaalsContact OE2-CZ 3.24Å; E487-R491 IonicContact OE2-NH1 3.58Å; E487-R491 PolarHBondContact OE2-NH1 2.97Å; E487-R491 IonicContact OE2-NH2 3.55Å; E487-R491 PolarHBondContact OE2-NH2 3.25Å |
| 488 | A | 82.9 | Confident | 82.2 | Confident | 48 Ų | 48 | 94.1 Ų | 94.1 | 40% | 0.397 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.4 | -48.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | K484 E485 R490 R491 D492 | K484-A488 WeakPolarHBondContact O-CB 3.38Å; K484-A488 PolarHBondContact O-N 2.9Å; E485-A488 PolarHBondContact O-N 2.91Å; A488-R490 PolarHBondContact O-N 3.49Å; A488-R491 PolarHBondContact O-N 3.23Å; A488-R491 VanDerWaalsContact O-N 3.14Å; A488-D492 PolarHBondContact O-N 3.1Å |
| 489 | A | 82.1 | Confident | 82.4 | Confident | 58 Ų | 58 | 95.2 Ų | 95.2 | 48% | 0.479 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.1 | -34.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E485 A493 | E485-A489 PolarHBondContact O-N 2.61Å; A489-A493 WeakPolarHBondContact O-CB 3.34Å; A489-A493 PolarHBondContact O-N 3.11Å |
| 490 | R | 81.8 | Confident | 82.4 | Confident | 135 Ų | 135 | 91.4 Ų | 91.4 | 51% | 0.509 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.2 | -45.1 | 174 | -152.6 | -164.9 | 89.8 | -153.1 | 1.8 | 112.1 | A486 E487 A488 D492 A493 E494 | A486-R490 WeakPolarHBondContact O-CB 3.49Å; A486-R490 PolarHBondContact O-N 2.69Å; E487-R490 WeakPolarHBondContact O-CB 3.38Å; E487-R490 PolarHBondContact O-N 3.06Å; A488-R490 PolarHBondContact O-N 3.49Å; R490-D492 VanDerWaalsContact C-N 3.33Å; R490-D492 PolarHBondContact O-N 3.4Å; R490-A493 WeakPolarHBondContact O-CB 3.43Å; R490-A493 PolarHBondContact O-N 2.93Å; R490-A493 VanDerWaalsContact O-N 3.13Å; R490-E494 IonicContact CZ-OE1 2.62Å; R490-E494 IonicContact NE-OE1 3.18Å; R490-E494 PolarHBondContact NE-OE1 3.38Å; R490-E494 IonicContact NH2-OE1 3.16Å; R490-E494 PolarHBondContact NH2-OE1 3.14Å; R490-E494 IonicContact NH2-OE2 3.6Å; R490-E494 WeakPolarHBondContact O-CG 3.47Å; R490-E494 PolarHBondContact O-N 3.27Å |
| 491 | R | 83.5 | Confident | 82.5 | Confident | 122 Ų | 122 | 90.3 Ų | 90.3 | 46% | 0.46 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.2 | -38.1 | 176.4 | -69.9 | 168.2 | -177.6 | 114.5 | 8.5 | 111.8 | E487 A488 A493 E494 T495 | E487-R491 VanDerWaalsContact CB-NH1 3.25Å; E487-R491 WeakPolarHBondContact O-CG 3.21Å; E487-R491 PolarHBondContact O-N 2.81Å; E487-R491 IonicContact OE2-CZ 2.75Å; E487-R491 VanDerWaalsContact OE2-CZ 3.24Å; E487-R491 IonicContact OE2-NH1 3.58Å; E487-R491 PolarHBondContact OE2-NH1 2.97Å; E487-R491 IonicContact OE2-NH2 3.55Å; E487-R491 PolarHBondContact OE2-NH2 3.25Å; A488-R491 PolarHBondContact O-N 3.23Å; A488-R491 VanDerWaalsContact O-N 3.14Å; R491-A493 VanDerWaalsContact C-N 3.33Å; R491-E494 PolarHBondContact O-N 3.14Å; R491-T495 WeakPolarHBondContact O-CG2 3.41Å; R491-T495 PolarHBondContact O-N 3.15Å; R491-T495 PolarHBondContact O-OG1 3.25Å |
| 492 | D | 83.6 | Confident | 82.4 | Confident | 100 Ų | 100 | 89.1 Ų | 89.1 | 54% | 0.535 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.6 | -28.2 | 173.3 | -83 | 5.2 | 0 | 0 | 0 | 113 | A488 R490 T495 R496 | A488-D492 PolarHBondContact O-N 3.1Å; R490-D492 VanDerWaalsContact C-N 3.33Å; R490-D492 PolarHBondContact O-N 3.4Å; D492-T495 PolarHBondContact O-OG1 2.96Å; D492-R496 WeakPolarHBondContact O-CG 3.47Å; D492-R496 PolarHBondContact O-N 3.13Å; D492-R496 PolarHBondContact O-NE 2.66Å; D492-R496 PolarHBondContact O-NH2 2.68Å |
| 493 | A | 80.2 | Confident | 82.4 | Confident | 50 Ų | 50 | 92.9 Ų | 92.9 | 41% | 0.413 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -75.5 | -43.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A489 R490 R491 R496 A497 | A489-A493 WeakPolarHBondContact O-CB 3.34Å; A489-A493 PolarHBondContact O-N 3.11Å; R490-A493 WeakPolarHBondContact O-CB 3.43Å; R490-A493 PolarHBondContact O-N 2.93Å; R490-A493 VanDerWaalsContact O-N 3.13Å; R491-A493 VanDerWaalsContact C-N 3.33Å; A493-R496 PolarHBondContact O-N 3.17Å; A493-A497 WeakPolarHBondContact O-CB 3.48Å; A493-A497 PolarHBondContact O-N 3.46Å |
| 494 | E | 80.8 | Confident | 82.4 | Confident | 76 Ų | 76 | 93.6 Ų | 93.6 | 36% | 0.355 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.7 | -46.6 | 176.8 | -75.9 | 169.6 | 177.6 | 0 | 0 | 112 | R490 R491 R496 A497 Q498 | R490-E494 IonicContact CZ-OE1 2.62Å; R490-E494 IonicContact NE-OE1 3.18Å; R490-E494 PolarHBondContact NE-OE1 3.38Å; R490-E494 IonicContact NH2-OE1 3.16Å; R490-E494 PolarHBondContact NH2-OE1 3.14Å; R490-E494 IonicContact NH2-OE2 3.6Å; R490-E494 WeakPolarHBondContact O-CG 3.47Å; R490-E494 PolarHBondContact O-N 3.27Å; R491-E494 PolarHBondContact O-N 3.14Å; E494-R496 PolarHBondContact O-N 3.48Å; E494-A497 PolarHBondContact O-N 2.85Å; E494-Q498 VanDerWaalsContact O-CG 3.31Å; E494-Q498 WeakPolarHBondContact O-CG 3.32Å; E494-Q498 PolarHBondContact O-N 3.26Å |
| 495 | T | 83.5 | Confident | 82.2 | Confident | 56 Ų | 56 | 92.9 Ų | 92.9 | 34% | 0.344 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.7 | -32.3 | 177.7 | 49.4 | 0 | 0 | 0 | 0 | 113.1 | R491 D492 R499 | R491-T495 WeakPolarHBondContact O-CG2 3.41Å; R491-T495 PolarHBondContact O-N 3.15Å; R491-T495 PolarHBondContact O-OG1 3.25Å; D492-T495 PolarHBondContact O-OG1 2.96Å; T495-R499 WeakPolarHBondContact O-CG 3.34Å; T495-R499 PolarHBondContact O-N 3.41Å; T495-R499 VanDerWaalsContact O-N 3.14Å |
| 496 | R | 86.3 | Confident | 82.2 | Confident | 156 Ų | 156 | 89.7 Ų | 89.7 | 59% | 0.589 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.7 | -41.6 | 170.2 | -81.2 | 178.4 | -74.2 | 179.3 | -4 | 112 | D492 A493 E494 R499 A500 | D492-R496 WeakPolarHBondContact O-CG 3.47Å; D492-R496 PolarHBondContact O-N 3.13Å; D492-R496 PolarHBondContact O-NE 2.66Å; D492-R496 PolarHBondContact O-NH2 2.68Å; A493-R496 PolarHBondContact O-N 3.17Å; E494-R496 PolarHBondContact O-N 3.48Å; R496-R499 PolarHBondContact O-N 3.41Å; R496-A500 PolarHBondContact O-N 3Å; R496-A500 VanDerWaalsContact O-N 3.11Å |
| 497 | A | 80.5 | Confident | 82.3 | Confident | 55 Ų | 55 | 91 Ų | 91 | 46% | 0.455 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A493 E494 R499 A500 V501 | A493-A497 WeakPolarHBondContact O-CB 3.48Å; A493-A497 PolarHBondContact O-N 3.46Å; E494-A497 PolarHBondContact O-N 2.85Å; A497-R499 PolarHBondContact O-N 2.84Å; A497-A500 PolarHBondContact O-N 2.89Å; A497-V501 WeakPolarHBondContact O-CG2 3.27Å; A497-V501 PolarHBondContact O-N 2.98Å |
| 498 | Q | 84.8 | Confident | 82.4 | Confident | 127 Ų | 127 | 95.5 Ų | 95.5 | 59% | 0.593 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.8 | -40.3 | 175.1 | -74.7 | 169.9 | -2.4 | 0 | 0 | 112.6 | E494 V501 A502 | E494-Q498 VanDerWaalsContact O-CG 3.31Å; E494-Q498 WeakPolarHBondContact O-CG 3.32Å; E494-Q498 PolarHBondContact O-N 3.26Å; Q498-V501 PolarHBondContact O-N 3.28Å; Q498-A502 WeakPolarHBondContact O-CB 3.45Å; Q498-A502 PolarHBondContact O-N 3.03Å |
| 499 | R | 84.8 | Confident | 82.4 | Confident | 164 Ų | 164 | 97.5 Ų | 97.5 | 62% | 0.619 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.9 | -47.9 | 173.7 | -70.3 | 176.5 | -164.3 | 165.1 | 7.4 | 111.9 | T495 R496 A497 V501 A502 E503 | T495-R499 WeakPolarHBondContact O-CG 3.34Å; T495-R499 PolarHBondContact O-N 3.41Å; T495-R499 VanDerWaalsContact O-N 3.14Å; R496-R499 PolarHBondContact O-N 3.41Å; A497-R499 PolarHBondContact O-N 2.84Å; R499-V501 VanDerWaalsContact C-N 3.29Å; R499-V501 PolarHBondContact O-N 2.95Å; R499-A502 PolarHBondContact O-N 2.64Å; R499-A502 VanDerWaalsContact O-N 3.11Å; R499-E503 WeakPolarHBondContact O-CG 3.39Å; R499-E503 PolarHBondContact O-N 3.36Å |
| 500 | A | 81.2 | Confident | 82.4 | Confident | 43 Ų | 43 | 98.8 Ų | 98.8 | 36% | 0.355 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.3 | -36.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R496 A497 L504 | R496-A500 PolarHBondContact O-N 3Å; R496-A500 VanDerWaalsContact O-N 3.11Å; A497-A500 PolarHBondContact O-N 2.89Å; A500-L504 WeakPolarHBondContact O-CB 3.13Å; A500-L504 VanDerWaalsContact O-CG 3.27Å; A500-L504 WeakPolarHBondContact O-CG 3.26Å; A500-L504 PolarHBondContact O-N 3.22Å |
| 501 | V | 81.9 | Confident | 82.4 | Confident | 80 Ų | 80 | 97.2 Ų | 97.2 | 49% | 0.485 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 173 | 170 | 0 | 0 | 0 | 0 | 111.5 | A497 Q498 R499 L504 Q505 | A497-V501 WeakPolarHBondContact O-CG2 3.27Å; A497-V501 PolarHBondContact O-N 2.98Å; Q498-V501 PolarHBondContact O-N 3.28Å; R499-V501 VanDerWaalsContact C-N 3.29Å; R499-V501 PolarHBondContact O-N 2.95Å; V501-L504 PolarHBondContact O-N 3.19Å; V501-Q505 WeakPolarHBondContact O-CB 3.48Å; V501-Q505 WeakPolarHBondContact O-CG 3.43Å; V501-Q505 PolarHBondContact O-N 2.97Å |
| 502 | A | 82.8 | Confident | 82.1 | Confident | 52 Ų | 52 | 95.4 Ų | 95.4 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.5 | -39.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q498 R499 Q505 A506 | Q498-A502 WeakPolarHBondContact O-CB 3.45Å; Q498-A502 PolarHBondContact O-N 3.03Å; R499-A502 PolarHBondContact O-N 2.64Å; R499-A502 VanDerWaalsContact O-N 3.11Å; A502-Q505 PolarHBondContact O-N 3.33Å; A502-A506 PolarHBondContact O-N 2.92Å |
| 503 | E | 83.9 | Confident | 82 | Confident | 130 Ų | 130 | 96.6 Ų | 96.6 | 61% | 0.607 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.4 | -45 | 172.7 | -73.3 | 166 | -161 | 0 | 0 | 111.2 | R499 Q505 A506 L507 | R499-E503 WeakPolarHBondContact O-CG 3.39Å; R499-E503 PolarHBondContact O-N 3.36Å; E503-Q505 VanDerWaalsContact C-N 3.34Å; E503-Q505 PolarHBondContact O-N 3.19Å; E503-A506 PolarHBondContact O-N 2.97Å; E503-L507 WeakPolarHBondContact O-CB 3.5Å; E503-L507 PolarHBondContact O-N 2.94Å |
| 504 | L | 78.3 | Confident | 81.9 | Confident | 118 Ų | 118 | 100.2 Ų | 100.2 | 62% | 0.618 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.3 | -34.8 | 173.7 | -75.7 | 168.7 | 0 | 0 | 0 | 112.9 | A500 V501 R508 | A500-L504 WeakPolarHBondContact O-CB 3.13Å; A500-L504 VanDerWaalsContact O-CG 3.27Å; A500-L504 WeakPolarHBondContact O-CG 3.26Å; A500-L504 PolarHBondContact O-N 3.22Å; V501-L504 PolarHBondContact O-N 3.19Å; L504-R508 WeakPolarHBondContact O-CB 3.44Å; L504-R508 PolarHBondContact O-N 2.93Å |
| 505 | Q | 81.3 | Confident | 81.6 | Confident | 122 Ų | 122 | 101.5 Ų | 101.5 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.3 | -41.1 | 173.3 | -78 | 179.1 | -49.3 | 0 | 0 | 111.8 | V501 A502 E503 R508 V509 | V501-Q505 WeakPolarHBondContact O-CB 3.48Å; V501-Q505 WeakPolarHBondContact O-CG 3.43Å; V501-Q505 PolarHBondContact O-N 2.97Å; A502-Q505 PolarHBondContact O-N 3.33Å; E503-Q505 VanDerWaalsContact C-N 3.34Å; E503-Q505 PolarHBondContact O-N 3.19Å; Q505-R508 PolarHBondContact O-N 3.32Å; Q505-V509 WeakPolarHBondContact O-CG2 3.34Å; Q505-V509 PolarHBondContact O-N 3Å |
| 506 | A | 82.9 | Confident | 81.4 | Confident | 64 Ų | 64 | 103.7 Ų | 103.7 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.5 | -46.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A502 E503 R508 V509 E510 | A502-A506 PolarHBondContact O-N 2.92Å; E503-A506 PolarHBondContact O-N 2.97Å; A506-R508 VanDerWaalsContact C-N 3.33Å; A506-R508 PolarHBondContact O-N 3.46Å; A506-V509 PolarHBondContact O-N 3.39Å; A506-E510 PolarHBondContact O-N 3.46Å |
| 507 | L | 81.1 | Confident | 81 | Confident | 91 Ų | 91 | 100.2 Ų | 100.2 | 48% | 0.476 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 174.5 | -113 | 164.6 | 0 | 0 | 0 | 112 | E503 E510 M511 | E503-L507 WeakPolarHBondContact O-CB 3.5Å; E503-L507 PolarHBondContact O-N 2.94Å; L507-E510 PolarHBondContact O-N 2.96Å; L507-M511 HydrophobicContact CD2-CE 4.08Å; L507-M511 WeakPolarHBondContact O-CB 3.48Å; L507-M511 VanDerWaalsContact O-CG 3.27Å; L507-M511 WeakPolarHBondContact O-CG 3.28Å; L507-M511 PolarHBondContact O-N 2.86Å |
| 508 | R | 82.6 | Confident | 80.7 | Confident | 158 Ų | 158 | 103.2 Ų | 103.2 | 60% | 0.596 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.8 | -45.9 | 174.5 | 177.2 | 177 | 170.7 | 157.2 | 5.7 | 111.3 | L504 Q505 A506 M511 E512 | L504-R508 WeakPolarHBondContact O-CB 3.44Å; L504-R508 PolarHBondContact O-N 2.93Å; Q505-R508 PolarHBondContact O-N 3.32Å; A506-R508 VanDerWaalsContact C-N 3.33Å; A506-R508 PolarHBondContact O-N 3.46Å; R508-M511 PolarHBondContact O-N 2.9Å; R508-E512 HydrophobicContact CG-CG 4.22Å; R508-E512 IonicContact CZ-OE1 2.71Å; R508-E512 IonicContact NE-OE1 3.2Å; R508-E512 PolarHBondContact NE-OE1 3.44Å; R508-E512 IonicContact NE-OE2 2.73Å; R508-E512 IonicContact NH2-OE1 3.33Å; R508-E512 PolarHBondContact NH2-OE1 3.21Å; R508-E512 WeakPolarHBondContact O-CB 3.22Å; R508-E512 WeakPolarHBondContact O-CG 3.37Å; R508-E512 PolarHBondContact O-N 3.3Å |
| 509 | V | 82.2 | Confident | 80.1 | Confident | 90 Ų | 90 | 102.2 Ų | 102.2 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.3 | -37.9 | 177.4 | 169.9 | 0 | 0 | 0 | 0 | 111.7 | Q505 A506 M511 R513 | Q505-V509 WeakPolarHBondContact O-CG2 3.34Å; Q505-V509 PolarHBondContact O-N 3Å; A506-V509 PolarHBondContact O-N 3.39Å; V509-M511 VanDerWaalsContact C-N 3.35Å; V509-M511 PolarHBondContact O-N 3.21Å; V509-R513 WeakPolarHBondContact O-CB 3.44Å; V509-R513 PolarHBondContact O-N 2.89Å |
| 510 | E | 83.1 | Confident | 79.4 | Confident | 85 Ų | 85 | 99.4 Ų | 99.4 | 40% | 0.397 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 173.8 | -167.4 | -167.2 | 147.9 | 0 | 0 | 111.8 | A506 L507 R514 | A506-E510 PolarHBondContact O-N 3.46Å; L507-E510 PolarHBondContact O-N 2.96Å; E510-R514 PolarHBondContact O-N 2.75Å; E510-R514 IonicContact OE1-CZ 2.73Å; E510-R514 VanDerWaalsContact OE1-CZ 3.23Å; E510-R514 IonicContact OE1-NH1 3.1Å; E510-R514 PolarHBondContact OE1-NH1 2.78Å; E510-R514 IonicContact OE1-NH2 3.79Å; E510-R514 PolarHBondContact OE1-NH2 3.32Å |
| 511 | M | 81.1 | Confident | 78.9 | Confident | 102 Ų | 102 | 102.8 Ų | 102.8 | 50% | 0.502 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -73.3 | -40.1 | 178.7 | -67.2 | -64.2 | 177.3 | 0 | 0 | 112.6 | L507 R508 V509 R513 R514 L515 | L507-M511 HydrophobicContact CD2-CE 4.08Å; L507-M511 WeakPolarHBondContact O-CB 3.48Å; L507-M511 VanDerWaalsContact O-CG 3.27Å; L507-M511 WeakPolarHBondContact O-CG 3.28Å; L507-M511 PolarHBondContact O-N 2.86Å; R508-M511 PolarHBondContact O-N 2.9Å; V509-M511 VanDerWaalsContact C-N 3.35Å; V509-M511 PolarHBondContact O-N 3.21Å; M511-R513 VanDerWaalsContact C-N 3.32Å; M511-R514 PolarHBondContact O-N 2.97Å; M511-L515 WeakPolarHBondContact O-CB 3.32Å; M511-L515 PolarHBondContact O-N 3.01Å |
| 512 | E | 77.8 | Confident | 78.2 | Confident | 84 Ų | 84 | 105.7 Ų | 105.7 | 39% | 0.393 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 171.8 | -76.3 | 173.8 | 158.4 | 0 | 0 | 110.3 | R508 R514 L515 Q516 | R508-E512 HydrophobicContact CG-CG 4.22Å; R508-E512 IonicContact CZ-OE1 2.71Å; R508-E512 IonicContact NE-OE1 3.2Å; R508-E512 PolarHBondContact NE-OE1 3.44Å; R508-E512 IonicContact NE-OE2 2.73Å; R508-E512 IonicContact NH2-OE1 3.33Å; R508-E512 PolarHBondContact NH2-OE1 3.21Å; R508-E512 WeakPolarHBondContact O-CB 3.22Å; R508-E512 WeakPolarHBondContact O-CG 3.37Å; R508-E512 PolarHBondContact O-N 3.3Å; E512-R514 PolarHBondContact O-N 3.25Å; E512-L515 PolarHBondContact O-N 2.99Å; E512-Q516 VanDerWaalsContact O-CB 3.23Å; E512-Q516 WeakPolarHBondContact O-CB 3.34Å; E512-Q516 PolarHBondContact O-N 3.29Å |
| 513 | R | 80.7 | Confident | 77.4 | Confident | 126 Ų | 126 | 107.4 Ų | 107.4 | 48% | 0.475 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 174.1 | -163.1 | -162.4 | 77.1 | 75.2 | 20.2 | 112.6 | V509 M511 Q516 E517 | V509-R513 WeakPolarHBondContact O-CB 3.44Å; V509-R513 PolarHBondContact O-N 2.89Å; M511-R513 VanDerWaalsContact C-N 3.32Å; R513-Q516 PolarHBondContact O-N 2.82Å; R513-E517 IonicContact CZ-OE1 2.63Å; R513-E517 IonicContact CZ-OE2 3.17Å; R513-E517 VanDerWaalsContact NH1-CD 3.34Å; R513-E517 IonicContact NH1-OE1 3.18Å; R513-E517 PolarHBondContact NH1-OE1 3Å; R513-E517 IonicContact NH1-OE2 2.66Å; R513-E517 IonicContact NH2-OE1 2.72Å; R513-E517 PolarHBondContact NH2-OE1 2.94Å; R513-E517 IonicContact NH2-OE2 2.88Å; R513-E517 PolarHBondContact NH2-OE2 3.3Å; R513-E517 WeakPolarHBondContact O-CG 3.34Å; R513-E517 PolarHBondContact O-N 2.91Å |
| 514 | R | 77.9 | Confident | 76.6 | Confident | 125 Ų | 125 | 103.8 Ų | 103.8 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.6 | -35.3 | 174.6 | -85.7 | -168.7 | 177.5 | 117.1 | 9.1 | 113.2 | E510 M511 E512 K518 | E510-R514 PolarHBondContact O-N 2.75Å; E510-R514 IonicContact OE1-CZ 2.73Å; E510-R514 VanDerWaalsContact OE1-CZ 3.23Å; E510-R514 IonicContact OE1-NH1 3.1Å; E510-R514 PolarHBondContact OE1-NH1 2.78Å; E510-R514 IonicContact OE1-NH2 3.79Å; E510-R514 PolarHBondContact OE1-NH2 3.32Å; M511-R514 PolarHBondContact O-N 2.97Å; E512-R514 PolarHBondContact O-N 3.25Å; R514-K518 PolarHBondContact O-N 2.67Å |
| 515 | L | 75.4 | Confident | 76 | Confident | 104 Ų | 104 | 104.7 Ų | 104.7 | 55% | 0.545 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.9 | -48.5 | 173.9 | -159.7 | 82.3 | 0 | 0 | 0 | 108.9 | M511 E512 E517 K518 E519 | M511-L515 WeakPolarHBondContact O-CB 3.32Å; M511-L515 PolarHBondContact O-N 3.01Å; E512-L515 PolarHBondContact O-N 2.99Å; L515-E517 PolarHBondContact O-N 3.3Å; L515-K518 CarbonylContact O-C 3.55Å; L515-K518 WeakPolarHBondContact O-CA 3.33Å; L515-K518 PolarHBondContact O-N 3.25Å; L515-E519 WeakPolarHBondContact O-CG 3.27Å; L515-E519 PolarHBondContact O-N 2.9Å |
| 516 | Q | 79.1 | Confident | 75.2 | Confident | 102 Ų | 102 | 108.1 Ų | 108.1 | 48% | 0.477 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.7 | -38.9 | 178.3 | -170.9 | 177.8 | -15.8 | 0 | 0 | 112.5 | E512 R513 K518 E519 E520 | E512-Q516 VanDerWaalsContact O-CB 3.23Å; E512-Q516 WeakPolarHBondContact O-CB 3.34Å; E512-Q516 PolarHBondContact O-N 3.29Å; R513-Q516 PolarHBondContact O-N 2.82Å; Q516-K518 VanDerWaalsContact C-N 3.26Å; Q516-K518 PolarHBondContact O-N 3.32Å; Q516-E519 PolarHBondContact O-N 3.49Å; Q516-E520 HydrophobicContact CG-CG 4.41Å; Q516-E520 WeakPolarHBondContact CG-OE1 3.44Å; Q516-E520 PolarHBondContact NE2-OE1 3.42Å; Q516-E520 VanDerWaalsContact O-CB 3.28Å; Q516-E520 WeakPolarHBondContact O-CB 3.34Å; Q516-E520 VanDerWaalsContact O-CG 3.26Å; Q516-E520 WeakPolarHBondContact O-CG 3.48Å; Q516-E520 PolarHBondContact O-N 3.24Å |
| 517 | E | 77.7 | Confident | 74.3 | Confident | 83 Ų | 83 | 109.4 Ų | 109.4 | 39% | 0.388 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.5 | -35.5 | 171.2 | -77.9 | 172.4 | 147.3 | 0 | 0 | 112.8 | R513 L515 E521 | R513-E517 IonicContact CZ-OE1 2.63Å; R513-E517 IonicContact CZ-OE2 3.17Å; R513-E517 VanDerWaalsContact NH1-CD 3.34Å; R513-E517 IonicContact NH1-OE1 3.18Å; R513-E517 PolarHBondContact NH1-OE1 3Å; R513-E517 IonicContact NH1-OE2 2.66Å; R513-E517 IonicContact NH2-OE1 2.72Å; R513-E517 PolarHBondContact NH2-OE1 2.94Å; R513-E517 IonicContact NH2-OE2 2.88Å; R513-E517 PolarHBondContact NH2-OE2 3.3Å; R513-E517 WeakPolarHBondContact O-CG 3.34Å; R513-E517 PolarHBondContact O-N 2.91Å; L515-E517 PolarHBondContact O-N 3.3Å; E517-E521 PolarHBondContact O-N 3Å |
| 518 | K | 75 | Confident | 73.6 | Confident | 117 Ų | 117 | 111.8 Ų | 111.8 | 51% | 0.509 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -87.4 | -28.9 | 179 | -72.5 | -64.3 | 174.4 | -155.8 | 0 | 114 | R514 L515 Q516 E521 M522 | R514-K518 PolarHBondContact O-N 2.67Å; L515-K518 CarbonylContact O-C 3.55Å; L515-K518 WeakPolarHBondContact O-CA 3.33Å; L515-K518 PolarHBondContact O-N 3.25Å; Q516-K518 VanDerWaalsContact C-N 3.26Å; Q516-K518 PolarHBondContact O-N 3.32Å; K518-E521 WeakPolarHBondContact CD-OE2 3.46Å; K518-E521 IonicContact NZ-OE1 3.66Å; K518-E521 PolarHBondContact NZ-OE1 2.82Å; K518-E521 IonicContact NZ-OE2 2.69Å; K518-E521 PolarHBondContact NZ-OE2 3.01Å; K518-M522 WeakPolarHBondContact O-CB 3.35Å; K518-M522 WeakPolarHBondContact O-CG 3.38Å; K518-M522 PolarHBondContact O-N 3.3Å |
| 519 | E | 70.6 | Confident | 72.6 | Confident | 106 Ų | 106 | 111.6 Ų | 111.6 | 50% | 0.495 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.2 | -45.5 | 165 | -70.5 | 178.4 | 152.4 | 0 | 0 | 109.4 | L515 Q516 E521 M522 E523 | L515-E519 WeakPolarHBondContact O-CG 3.27Å; L515-E519 PolarHBondContact O-N 2.9Å; Q516-E519 PolarHBondContact O-N 3.49Å; E519-E521 PolarHBondContact O-N 3.26Å; E519-M522 PolarHBondContact O-N 2.96Å; E519-E523 WeakPolarHBondContact O-CA 3.3Å; E519-E523 WeakPolarHBondContact O-CB 3.46Å; E519-E523 PolarHBondContact O-N 2.98Å |
| 520 | E | 70 | Confident | 71.7 | Confident | 105 Ų | 105 | 111.9 Ų | 111.9 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.8 | -37.5 | 177.2 | -76.8 | 173.4 | -166.8 | 0 | 0 | 113 | Q516 A524 | Q516-E520 HydrophobicContact CG-CG 4.41Å; Q516-E520 WeakPolarHBondContact CG-OE1 3.44Å; Q516-E520 PolarHBondContact NE2-OE1 3.42Å; Q516-E520 VanDerWaalsContact O-CB 3.28Å; Q516-E520 WeakPolarHBondContact O-CB 3.34Å; Q516-E520 VanDerWaalsContact O-CG 3.26Å; Q516-E520 WeakPolarHBondContact O-CG 3.48Å; Q516-E520 PolarHBondContact O-N 3.24Å; E520-A524 WeakPolarHBondContact O-CB 3.32Å; E520-A524 PolarHBondContact O-N 3.22Å |
| 521 | E | 71 | Confident | 70.9 | Confident | 114 Ų | 114 | 114.2 Ų | 114.2 | 53% | 0.533 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.9 | -52.1 | 171.2 | -78.6 | 177.3 | -163.2 | 0 | 0 | 112.7 | E517 K518 E519 L525 | E517-E521 PolarHBondContact O-N 3Å; K518-E521 WeakPolarHBondContact CD-OE2 3.46Å; K518-E521 IonicContact NZ-OE1 3.66Å; K518-E521 PolarHBondContact NZ-OE1 2.82Å; K518-E521 IonicContact NZ-OE2 2.69Å; K518-E521 PolarHBondContact NZ-OE2 3.01Å; E519-E521 PolarHBondContact O-N 3.26Å; E521-L525 PolarHBondContact O-N 3.05Å |
| 522 | M | 68.3 | Low | 70.1 | Confident | 142 Ų | 142 | 116.3 Ų | 116.3 | 70% | 0.7 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.4 | -38.1 | -178.4 | -74.4 | -89.5 | -79.5 | 0 | 0 | 112.2 | K518 E519 L525 R526 | K518-M522 WeakPolarHBondContact O-CB 3.35Å; K518-M522 WeakPolarHBondContact O-CG 3.38Å; K518-M522 PolarHBondContact O-N 3.3Å; E519-M522 PolarHBondContact O-N 2.96Å; M522-L525 PolarHBondContact O-N 2.89Å; M522-R526 PolarHBondContact O-N 3.03Å |
| 523 | E | 64.4 | Low | 69.4 | Low | 88 Ų | 88 | 117.5 Ų | 117.5 | 41% | 0.411 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -83.4 | -26.5 | -176.4 | -154.6 | -161.4 | -179.1 | 0 | 0 | 111.2 | E519 L525 K527 | E519-E523 WeakPolarHBondContact O-CA 3.3Å; E519-E523 WeakPolarHBondContact O-CB 3.46Å; E519-E523 PolarHBondContact O-N 2.98Å; E523-L525 VanDerWaalsContact C-N 3.3Å; E523-K527 HydrophobicContact CG-CD 4.01Å; E523-K527 HydrophobicContact CG-CG 4.23Å; E523-K527 WeakPolarHBondContact O-CA 3.38Å; E523-K527 WeakPolarHBondContact O-CB 3.22Å; E523-K527 WeakPolarHBondContact O-CD 3.05Å; E523-K527 WeakPolarHBondContact O-CG 3.3Å; E523-K527 PolarHBondContact O-N 3.46Å; E523-K527 WeakPolarHBondContact OE1-CE 3.44Å; E523-K527 IonicContact OE1-NZ 2.78Å; E523-K527 PolarHBondContact OE1-NZ 3.46Å; E523-K527 VanDerWaalsContact OE1-NZ 3.1Å; E523-K527 WeakPolarHBondContact OE2-CE 3.36Å; E523-K527 IonicContact OE2-NZ 3.54Å; E523-K527 PolarHBondContact OE2-NZ 2.98Å |
| 524 | A | 69 | Low | 68.5 | Low | 54 Ų | 54 | 115 Ų | 115 | 45% | 0.446 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E520 K527 N528 | E520-A524 WeakPolarHBondContact O-CB 3.32Å; E520-A524 PolarHBondContact O-N 3.22Å; A524-K527 PolarHBondContact O-N 3.09Å; A524-N528 PolarHBondContact O-N 3.03Å |
| 525 | L | 64.3 | Low | 68.2 | Low | 136 Ų | 136 | 117.4 Ų | 117.4 | 71% | 0.712 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -72.3 | -39.8 | -179.9 | -148.5 | 154.4 | 0 | 0 | 0 | 111.6 | E521 M522 E523 | E521-L525 PolarHBondContact O-N 3.05Å; M522-L525 PolarHBondContact O-N 2.89Å; E523-L525 VanDerWaalsContact C-N 3.3Å |
| 526 | R | 65.1 | Low | 67.6 | Low | 195 Ų | 195 | 118.8 Ų | 118.8 | 74% | 0.736 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65 | -45.9 | 168.1 | -87 | -177.6 | 165.1 | 173.6 | -3.2 | 112.7 | M522 N528 M529 Q530 | M522-R526 PolarHBondContact O-N 3.03Å; R526-N528 PolarHBondContact O-N 2.97Å; R526-M529 PolarHBondContact O-N 3.49Å; R526-Q530 WeakPolarHBondContact O-CB 3.39Å; R526-Q530 PolarHBondContact O-N 3.29Å |
| 527 | K | 63.4 | Low | 67 | Low | 91 Ų | 91 | 118.2 Ų | 118.2 | 40% | 0.396 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -57.3 | -49.3 | 179.6 | -81.3 | 161.8 | 171.8 | 161.3 | 0 | 109.9 | E523 A524 M529 Q530 F531 | E523-K527 HydrophobicContact CG-CD 4.01Å; E523-K527 HydrophobicContact CG-CG 4.23Å; E523-K527 WeakPolarHBondContact O-CA 3.38Å; E523-K527 WeakPolarHBondContact O-CB 3.22Å; E523-K527 WeakPolarHBondContact O-CD 3.05Å; E523-K527 WeakPolarHBondContact O-CG 3.3Å; E523-K527 PolarHBondContact O-N 3.46Å; E523-K527 WeakPolarHBondContact OE1-CE 3.44Å; E523-K527 IonicContact OE1-NZ 2.78Å; E523-K527 PolarHBondContact OE1-NZ 3.46Å; E523-K527 VanDerWaalsContact OE1-NZ 3.1Å; E523-K527 WeakPolarHBondContact OE2-CE 3.36Å; E523-K527 IonicContact OE2-NZ 3.54Å; E523-K527 PolarHBondContact OE2-NZ 2.98Å; A524-K527 PolarHBondContact O-N 3.09Å; K527-M529 PolarHBondContact O-N 2.98Å; K527-Q530 PolarHBondContact O-N 3.34Å; K527-Q530 VanDerWaalsContact O-N 3.12Å; K527-F531 HydrophobicContact CB-CD2 4.5Å; K527-F531 WeakPolarHBondContact O-CA 3.34Å; K527-F531 WeakPolarHBondContact O-CB 3.42Å; K527-F531 PolarHBondContact O-N 3.3Å |
| 528 | N | 67.6 | Low | 66.2 | Low | 140 Ų | 140 | 116.7 Ų | 116.7 | 75% | 0.749 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -52.6 | -36.2 | -178.3 | -96.1 | -8.7 | 0 | 0 | 0 | 114.7 | A524 R526 | A524-N528 PolarHBondContact O-N 3.03Å; R526-N528 PolarHBondContact O-N 2.97Å |
| 529 | M | 62 | Low | 66 | Low | 154 Ų | 154 | 114.3 Ų | 114.3 | 76% | 0.759 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -88 | -38 | 174.9 | -70.1 | -174.3 | 168 | 0 | 0 | 113.7 | R526 K527 | R526-M529 PolarHBondContact O-N 3.49Å; K527-M529 PolarHBondContact O-N 2.98Å |
| 530 | Q | 62.2 | Low | 65.5 | Low | 96 Ų | 96 | 115.6 Ų | 115.6 | 45% | 0.449 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -76.6 | -37.1 | -176.3 | -170.4 | 65.4 | 25.7 | 0 | 0 | 112.4 | R526 K527 E532 I533 D534 | R526-Q530 WeakPolarHBondContact O-CB 3.39Å; R526-Q530 PolarHBondContact O-N 3.29Å; K527-Q530 PolarHBondContact O-N 3.34Å; K527-Q530 VanDerWaalsContact O-N 3.12Å; Q530-E532 VanDerWaalsContact C-N 3.29Å; Q530-E532 PolarHBondContact O-N 3.05Å; Q530-I533 PolarHBondContact O-N 3.49Å; Q530-D534 VanDerWaalsContact CG-OD2 3.26Å; Q530-D534 WeakPolarHBondContact CG-OD2 3.3Å; Q530-D534 PolarHBondContact NE2-OD1 3.23Å; Q530-D534 PolarHBondContact NE2-OD2 3.36Å; Q530-D534 WeakPolarHBondContact O-CB 3.48Å; Q530-D534 PolarHBondContact O-N 3.04Å |
| 531 | F | 66.4 | Low | 65.3 | Low | 135 Ų | 135 | 113.4 Ų | 113.4 | 59% | 0.592 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.8 | -29.5 | -175.5 | -154.6 | -82.5 | 0 | 0 | 0 | 111.9 | K527 R535 | K527-F531 HydrophobicContact CB-CD2 4.5Å; K527-F531 WeakPolarHBondContact O-CA 3.34Å; K527-F531 WeakPolarHBondContact O-CB 3.42Å; K527-F531 PolarHBondContact O-N 3.3Å; F531-R535 WeakPolarHBondContact O-CB 3.37Å; F531-R535 PolarHBondContact O-N 3.02Å |
| 532 | E | 65.3 | Low | 65.1 | Low | 146 Ų | 146 | 111.3 Ų | 111.3 | 68% | 0.682 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -75.9 | -34.2 | 178.1 | -164 | 143.9 | -120.9 | 0 | 0 | 112.2 | Q530 | Q530-E532 VanDerWaalsContact C-N 3.29Å; Q530-E532 PolarHBondContact O-N 3.05Å |
| 533 | I | 62.4 | Low | 65.2 | Low | 108 Ų | 108 | 107.7 Ų | 107.7 | 55% | 0.554 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -78.2 | -52.5 | 175.7 | -61.6 | 175.9 | 0 | 0 | 0 | 110.4 | Q530 R535 L536 T537 | Q530-I533 PolarHBondContact O-N 3.49Å; I533-R535 VanDerWaalsContact C-N 3.34Å; I533-R535 PolarHBondContact O-N 3.44Å; I533-L536 PolarHBondContact O-N 2.84Å; I533-T537 PolarHBondContact O-N 3.11Å; I533-T537 PolarHBondContact O-OG1 2.96Å |
| 534 | D | 60.9 | Low | 65.4 | Low | 75 Ų | 75 | 109 Ų | 109 | 40% | 0.401 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.2 | -33 | -178.8 | -77.4 | -9.9 | 0 | 0 | 0 | 112.2 | Q530 L536 T537 A538 | Q530-D534 VanDerWaalsContact CG-OD2 3.26Å; Q530-D534 WeakPolarHBondContact CG-OD2 3.3Å; Q530-D534 PolarHBondContact NE2-OD1 3.23Å; Q530-D534 PolarHBondContact NE2-OD2 3.36Å; Q530-D534 WeakPolarHBondContact O-CB 3.48Å; Q530-D534 PolarHBondContact O-N 3.04Å; D534-L536 VanDerWaalsContact C-N 3.26Å; D534-L536 PolarHBondContact O-N 3.31Å; D534-T537 PolarHBondContact O-N 3.43Å; D534-A538 WeakPolarHBondContact O-CA 3.24Å; D534-A538 WeakPolarHBondContact O-CB 3.33Å; D534-A538 PolarHBondContact O-N 3.44Å |
| 535 | R | 71.7 | Confident | 65.2 | Low | 174 Ų | 174 | 109 Ų | 109 | 66% | 0.657 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -59.3 | -37.7 | 175.2 | 174.2 | 179.7 | 175.4 | -167.2 | -1.5 | 112.3 | F531 I533 A539 | F531-R535 WeakPolarHBondContact O-CB 3.37Å; F531-R535 PolarHBondContact O-N 3.02Å; I533-R535 VanDerWaalsContact C-N 3.34Å; I533-R535 PolarHBondContact O-N 3.44Å; R535-A539 WeakPolarHBondContact O-CB 3.28Å; R535-A539 PolarHBondContact O-N 3.02Å |
| 536 | L | 62.9 | Low | 65.7 | Low | 134 Ų | 134 | 110.2 Ų | 110.2 | 70% | 0.702 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -79.2 | -43.1 | 178.8 | -67.1 | 175 | 0 | 0 | 0 | 111.5 | I533 D534 | I533-L536 PolarHBondContact O-N 2.84Å; D534-L536 VanDerWaalsContact C-N 3.26Å; D534-L536 PolarHBondContact O-N 3.31Å |
| 537 | T | 67.2 | Low | 66 | Low | 90 Ų | 90 | 107.7 Ų | 107.7 | 55% | 0.552 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -74.7 | -43.2 | -177.3 | -50.7 | 0 | 0 | 0 | 0 | 112.7 | I533 D534 A541 | I533-T537 PolarHBondContact O-N 3.11Å; I533-T537 PolarHBondContact O-OG1 2.96Å; D534-T537 PolarHBondContact O-N 3.43Å; T537-A541 PolarHBondContact O-N 3.21Å |
| 538 | A | 61.5 | Low | 66.6 | Low | 50 Ų | 50 | 109.5 Ų | 109.5 | 41% | 0.413 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70.9 | -35.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D534 L540 A541 D542 | D534-A538 WeakPolarHBondContact O-CA 3.24Å; D534-A538 WeakPolarHBondContact O-CB 3.33Å; D534-A538 PolarHBondContact O-N 3.44Å; A538-L540 PolarHBondContact O-N 2.88Å; A538-A541 PolarHBondContact O-N 3.33Å; A538-D542 WeakPolarHBondContact O-CB 3.34Å; A538-D542 PolarHBondContact O-N 2.98Å |
| 539 | A | 68.8 | Low | 66.8 | Low | 68 Ų | 68 | 105.8 Ų | 105.8 | 56% | 0.562 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.2 | -33.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | R535 | R535-A539 WeakPolarHBondContact O-CB 3.28Å; R535-A539 PolarHBondContact O-N 3.02Å |
| 540 | L | 60.4 | Low | 67.6 | Low | 133 Ų | 133 | 104.5 Ų | 104.5 | 70% | 0.696 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -77.4 | -45.7 | 174.7 | -170.6 | 67.2 | 0 | 0 | 0 | 111.8 | A538 | A538-L540 PolarHBondContact O-N 2.88Å |
| 541 | A | 67.3 | Low | 68.2 | Low | 59 Ų | 59 | 105.8 Ų | 105.8 | 49% | 0.488 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68.7 | -40.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.5 | T537 A538 A543 E544 A545 | T537-A541 PolarHBondContact O-N 3.21Å; A538-A541 PolarHBondContact O-N 3.33Å; A541-A543 VanDerWaalsContact C-N 3.35Å; A541-A543 PolarHBondContact O-N 3.44Å; A541-E544 PolarHBondContact O-N 3.43Å; A541-A545 WeakPolarHBondContact O-CB 3.3Å; A541-A545 PolarHBondContact O-N 2.93Å |
| 542 | D | 67 | Low | 68.8 | Low | 70 Ų | 70 | 102.6 Ų | 102.6 | 37% | 0.374 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.1 | -32.7 | -177.5 | -170 | 24.2 | 0 | 0 | 0 | 111.5 | A538 R546 | A538-D542 WeakPolarHBondContact O-CB 3.34Å; A538-D542 PolarHBondContact O-N 2.98Å; D542-R546 WeakPolarHBondContact O-CB 3.4Å; D542-R546 WeakPolarHBondContact O-CD 3.44Å; D542-R546 WeakPolarHBondContact O-CG 3.43Å; D542-R546 PolarHBondContact O-N 3.01Å; D542-R546 VanDerWaalsContact O-N 3.09Å; D542-R546 IonicContact OD1-CZ 3.1Å; D542-R546 IonicContact OD1-NE 3.23Å; D542-R546 PolarHBondContact OD1-NE 3.12Å; D542-R546 IonicContact OD1-NH2 2.62Å; D542-R546 PolarHBondContact OD1-NH2 2.97Å; D542-R546 IonicContact OD2-CZ 2.66Å; D542-R546 IonicContact OD2-NE 2.67Å; D542-R546 PolarHBondContact OD2-NE 3.19Å; D542-R546 IonicContact OD2-NH2 3.94Å; D542-R546 PolarHBondContact OD2-NH2 3.39Å |
| 543 | A | 69.1 | Low | 69.6 | Low | 65 Ų | 65 | 105 Ų | 105 | 54% | 0.537 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.4 | -48.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A541 | A541-A543 VanDerWaalsContact C-N 3.35Å; A541-A543 PolarHBondContact O-N 3.44Å |
| 544 | E | 68.2 | Low | 70.5 | Confident | 116 Ų | 116 | 103.5 Ų | 103.5 | 54% | 0.542 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71 | -38.7 | 176.9 | -74.8 | -152.6 | -174.5 | 0 | 0 | 113.2 | A541 K548 | A541-E544 PolarHBondContact O-N 3.43Å; E544-K548 PolarHBondContact O-N 2.74Å; E544-K548 IonicContact OE2-NZ 3.42Å; E544-K548 PolarHBondContact OE2-NZ 3.07Å |
| 545 | A | 66.4 | Low | 71.5 | Confident | 54 Ų | 54 | 106.5 Ų | 106.5 | 45% | 0.446 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.7 | -43.8 | -177 | 0 | 0 | 0 | 0 | 0 | 111.7 | A541 M547 K548 A549 | A541-A545 WeakPolarHBondContact O-CB 3.3Å; A541-A545 PolarHBondContact O-N 2.93Å; A545-M547 PolarHBondContact O-N 3.32Å; A545-K548 PolarHBondContact O-N 3.37Å; A545-A549 VanDerWaalsContact O-CB 3.26Å; A545-A549 WeakPolarHBondContact O-CB 3.5Å; A545-A549 PolarHBondContact O-N 3.04Å |
| 546 | R | 73.2 | Confident | 72 | Confident | 161 Ų | 161 | 105.9 Ų | 105.9 | 61% | 0.608 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -56.7 | -51.8 | -179.5 | -75.4 | 170.9 | -171.9 | -151.6 | 3.7 | 112.3 | D542 K548 A549 E550 | D542-R546 WeakPolarHBondContact O-CB 3.4Å; D542-R546 WeakPolarHBondContact O-CD 3.44Å; D542-R546 WeakPolarHBondContact O-CG 3.43Å; D542-R546 PolarHBondContact O-N 3.01Å; D542-R546 VanDerWaalsContact O-N 3.09Å; D542-R546 IonicContact OD1-CZ 3.1Å; D542-R546 IonicContact OD1-NE 3.23Å; D542-R546 PolarHBondContact OD1-NE 3.12Å; D542-R546 IonicContact OD1-NH2 2.62Å; D542-R546 PolarHBondContact OD1-NH2 2.97Å; D542-R546 IonicContact OD2-CZ 2.66Å; D542-R546 IonicContact OD2-NE 2.67Å; D542-R546 PolarHBondContact OD2-NE 3.19Å; D542-R546 IonicContact OD2-NH2 3.94Å; D542-R546 PolarHBondContact OD2-NH2 3.39Å; R546-K548 PolarHBondContact O-N 3.49Å; R546-A549 PolarHBondContact O-N 3.3Å; R546-E550 WeakPolarHBondContact O-CB 3.45Å; R546-E550 PolarHBondContact O-N 2.96Å |
| 547 | M | 71.3 | Confident | 72.9 | Confident | 143 Ų | 143 | 104.3 Ų | 104.3 | 70% | 0.704 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.7 | -39 | -178.9 | -72.4 | -156.2 | 169.3 | 0 | 0 | 113.2 | A545 I551 | A545-M547 PolarHBondContact O-N 3.32Å; M547-I551 WeakPolarHBondContact O-CG1 3.45Å; M547-I551 PolarHBondContact O-N 3.46Å |
| 548 | K | 77 | Confident | 73.7 | Confident | 129 Ų | 129 | 106.5 Ų | 106.5 | 56% | 0.561 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -67.1 | -37 | 176.3 | -73.1 | 167.4 | -179.3 | 162.1 | 0 | 112.1 | E544 A545 R546 S552 | E544-K548 PolarHBondContact O-N 2.74Å; E544-K548 IonicContact OE2-NZ 3.42Å; E544-K548 PolarHBondContact OE2-NZ 3.07Å; A545-K548 PolarHBondContact O-N 3.37Å; R546-K548 PolarHBondContact O-N 3.49Å; K548-S552 WeakPolarHBondContact O-CB 3.37Å; K548-S552 PolarHBondContact O-N 3.09Å; K548-S552 PolarHBondContact O-OG 3.3Å |
| 549 | A | 72.1 | Confident | 74.9 | Confident | 61 Ų | 61 | 109.8 Ų | 109.8 | 50% | 0.504 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.4 | -43.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A545 R546 S552 R553 | A545-A549 VanDerWaalsContact O-CB 3.26Å; A545-A549 WeakPolarHBondContact O-CB 3.5Å; A545-A549 PolarHBondContact O-N 3.04Å; R546-A549 PolarHBondContact O-N 3.3Å; A549-S552 PolarHBondContact O-N 3.49Å; A549-R553 WeakPolarHBondContact O-CB 3.29Å; A549-R553 PolarHBondContact O-N 2.99Å |
| 550 | E | 78.2 | Confident | 75.5 | Confident | 127 Ų | 127 | 109.1 Ų | 109.1 | 59% | 0.593 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66 | -44.5 | -177.2 | -171.8 | 150.5 | -137 | 0 | 0 | 112.3 | R546 S552 R553 L554 | R546-E550 WeakPolarHBondContact O-CB 3.45Å; R546-E550 PolarHBondContact O-N 2.96Å; E550-S552 VanDerWaalsContact C-N 3.33Å; E550-S552 PolarHBondContact O-N 3.11Å; E550-R553 PolarHBondContact O-N 3.39Å; E550-L554 HydrophobicContact CG-CD1 4.37Å; E550-L554 WeakPolarHBondContact O-CG 3.44Å; E550-L554 PolarHBondContact O-N 3Å |
| 551 | I | 75 | Confident | 76.5 | Confident | 123 Ų | 123 | 106.2 Ų | 106.2 | 63% | 0.631 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.4 | -43.9 | 173.2 | -66.7 | 170.1 | 0 | 0 | 0 | 111.1 | M547 K555 | M547-I551 WeakPolarHBondContact O-CG1 3.45Å; M547-I551 PolarHBondContact O-N 3.46Å; I551-K555 WeakPolarHBondContact O-CB 3.41Å; I551-K555 PolarHBondContact O-N 2.96Å |
| 552 | S | 78.5 | Confident | 77.2 | Confident | 69 Ų | 69 | 108 Ų | 108 | 48% | 0.483 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.1 | -38.1 | 178.8 | -63.5 | 0 | 0 | 0 | 0 | 112.7 | K548 A549 E550 K556 | K548-S552 WeakPolarHBondContact O-CB 3.37Å; K548-S552 PolarHBondContact O-N 3.09Å; K548-S552 PolarHBondContact O-OG 3.3Å; A549-S552 PolarHBondContact O-N 3.49Å; E550-S552 VanDerWaalsContact C-N 3.33Å; E550-S552 PolarHBondContact O-N 3.11Å; S552-K556 PolarHBondContact O-N 3Å; S552-K556 VanDerWaalsContact O-N 3.09Å |
| 553 | R | 83.1 | Confident | 78.1 | Confident | 195 Ų | 195 | 106.8 Ų | 106.8 | 74% | 0.736 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.2 | -47.1 | 176.6 | 174.5 | 179.1 | 150 | 122.3 | -1.8 | 111.4 | A549 E550 K556 K557 | A549-R553 WeakPolarHBondContact O-CB 3.29Å; A549-R553 PolarHBondContact O-N 2.99Å; E550-R553 PolarHBondContact O-N 3.39Å; R553-K556 PolarHBondContact O-N 3.25Å; R553-K557 PolarHBondContact O-N 3.46Å |
| 554 | L | 80.6 | Confident | 78.8 | Confident | 77 Ų | 77 | 110.1 Ų | 110.1 | 40% | 0.403 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 177.4 | -72.8 | 170.9 | 0 | 0 | 0 | 111.6 | E550 K556 K557 Y558 | E550-L554 HydrophobicContact CG-CD1 4.37Å; E550-L554 WeakPolarHBondContact O-CG 3.44Å; E550-L554 PolarHBondContact O-N 3Å; L554-K556 PolarHBondContact O-N 3.41Å; L554-K557 PolarHBondContact O-N 3Å; L554-Y558 HydrophobicContact CB-CE2 4.45Å; L554-Y558 HydrophobicContact CD2-CE2 4.43Å; L554-Y558 WeakPolarHBondContact O-CD2 3.31Å; L554-Y558 PolarHBondContact O-N 3.05Å; L554-Y558 VanDerWaalsContact O-N 3.07Å |
| 555 | K | 81.8 | Confident | 79.7 | Confident | 138 Ų | 138 | 109.9 Ų | 109.9 | 60% | 0.6 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -58.8 | -46.9 | 176.3 | -174.6 | 175.7 | 178.5 | 178.3 | 0 | 112.1 | I551 K557 Q559 | I551-K555 WeakPolarHBondContact O-CB 3.41Å; I551-K555 PolarHBondContact O-N 2.96Å; K555-K557 PolarHBondContact O-N 3.4Å; K555-Q559 WeakPolarHBondContact O-CG 3.28Å; K555-Q559 PolarHBondContact O-N 3Å; K555-Q559 VanDerWaalsContact O-N 3.1Å |
| 556 | K | 82.2 | Confident | 80.6 | Confident | 161 Ų | 161 | 113.4 Ų | 113.4 | 70% | 0.7 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.7 | -38.6 | 176.7 | -77.4 | -172.5 | 175.9 | -174.6 | 0 | 112.8 | S552 R553 L554 Q559 A560 | S552-K556 PolarHBondContact O-N 3Å; S552-K556 VanDerWaalsContact O-N 3.09Å; R553-K556 PolarHBondContact O-N 3.25Å; L554-K556 PolarHBondContact O-N 3.41Å; K556-Q559 PolarHBondContact O-N 3.15Å; K556-A560 PolarHBondContact O-N 3.3Å; K556-A560 VanDerWaalsContact O-N 3.09Å |
| 557 | K | 83.1 | Confident | 81.1 | Confident | 101 Ų | 101 | 112 Ų | 112 | 44% | 0.439 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -59.7 | -53.2 | 176.8 | -175.9 | 178.5 | 178.3 | -78.4 | 0 | 111.3 | R553 L554 K555 Q559 A560 E561 | R553-K557 PolarHBondContact O-N 3.46Å; L554-K557 PolarHBondContact O-N 3Å; K555-K557 PolarHBondContact O-N 3.4Å; K557-Q559 VanDerWaalsContact C-N 3.32Å; K557-Q559 PolarHBondContact O-N 3.08Å; K557-A560 PolarHBondContact O-N 3.06Å; K557-A560 VanDerWaalsContact O-N 3.11Å; K557-E561 WeakPolarHBondContact CE-OE1 3.47Å; K557-E561 HydrophobicContact CG-CG 4.5Å; K557-E561 IonicContact NZ-OE1 3.5Å; K557-E561 PolarHBondContact NZ-OE1 3.43Å; K557-E561 IonicContact NZ-OE2 3.43Å; K557-E561 PolarHBondContact NZ-OE2 2.66Å; K557-E561 WeakPolarHBondContact O-CG 3.38Å; K557-E561 PolarHBondContact O-N 2.98Å |
| 558 | Y | 84.1 | Confident | 81.8 | Confident | 136 Ų | 136 | 108.7 Ų | 108.7 | 53% | 0.533 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.7 | -31.5 | -178.8 | -66.2 | -55.9 | 0 | 0 | 0 | 113.3 | L554 A560 E561 I562 | L554-Y558 HydrophobicContact CB-CE2 4.45Å; L554-Y558 HydrophobicContact CD2-CE2 4.43Å; L554-Y558 WeakPolarHBondContact O-CD2 3.31Å; L554-Y558 PolarHBondContact O-N 3.05Å; L554-Y558 VanDerWaalsContact O-N 3.07Å; Y558-A560 VanDerWaalsContact C-N 3.34Å; Y558-E561 WeakPolarHBondContact CD1-OE2 3.47Å; Y558-I562 WeakPolarHBondContact O-CD1 3.5Å; Y558-I562 VanDerWaalsContact O-CG1 3.25Å; Y558-I562 WeakPolarHBondContact O-CG1 3.42Å; Y558-I562 PolarHBondContact O-N 3.19Å |
| 559 | Q | 85 | Confident | 82.2 | Confident | 120 Ų | 120 | 107.4 Ų | 107.4 | 56% | 0.561 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.9 | -33.3 | 172.3 | -71.6 | -174 | -77.2 | 0 | 0 | 113 | K555 K556 K557 A563 | K555-Q559 WeakPolarHBondContact O-CG 3.28Å; K555-Q559 PolarHBondContact O-N 3Å; K555-Q559 VanDerWaalsContact O-N 3.1Å; K556-Q559 PolarHBondContact O-N 3.15Å; K557-Q559 VanDerWaalsContact C-N 3.32Å; K557-Q559 PolarHBondContact O-N 3.08Å; Q559-A563 PolarHBondContact O-N 2.83Å |
| 560 | A | 81.3 | Confident | 82.8 | Confident | 54 Ų | 54 | 108 Ų | 108 | 45% | 0.446 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -72 | -45.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K556 K557 Y558 I562 A563 E564 | K556-A560 PolarHBondContact O-N 3.3Å; K556-A560 VanDerWaalsContact O-N 3.09Å; K557-A560 PolarHBondContact O-N 3.06Å; K557-A560 VanDerWaalsContact O-N 3.11Å; Y558-A560 VanDerWaalsContact C-N 3.34Å; A560-I562 VanDerWaalsContact C-N 3.3Å; A560-I562 PolarHBondContact O-N 3.26Å; A560-A563 PolarHBondContact O-N 3.35Å; A560-A563 VanDerWaalsContact O-N 3.13Å; A560-E564 PolarHBondContact O-N 3.02Å |
| 561 | E | 82.7 | Confident | 83.2 | Confident | 72 Ų | 72 | 106.5 Ų | 106.5 | 34% | 0.336 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.2 | -36.5 | 179.1 | -70.6 | 178 | 139.5 | 0 | 0 | 112.3 | K557 Y558 L565 | K557-E561 WeakPolarHBondContact CE-OE1 3.47Å; K557-E561 HydrophobicContact CG-CG 4.5Å; K557-E561 IonicContact NZ-OE1 3.5Å; K557-E561 PolarHBondContact NZ-OE1 3.43Å; K557-E561 IonicContact NZ-OE2 3.43Å; K557-E561 PolarHBondContact NZ-OE2 2.66Å; K557-E561 WeakPolarHBondContact O-CG 3.38Å; K557-E561 PolarHBondContact O-N 2.98Å; Y558-E561 WeakPolarHBondContact CD1-OE2 3.47Å; E561-L565 WeakPolarHBondContact O-CB 3.49Å; E561-L565 WeakPolarHBondContact O-CD1 3.37Å; E561-L565 VanDerWaalsContact O-CG 3.24Å; E561-L565 WeakPolarHBondContact O-CG 3.37Å; E561-L565 PolarHBondContact O-N 3.37Å; E561-L565 VanDerWaalsContact O-N 3.15Å |
| 562 | I | 82 | Confident | 83.7 | Confident | 95 Ų | 95 | 106 Ų | 106 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.5 | -46.9 | 173.2 | -70.5 | 165.8 | 0 | 0 | 0 | 111.1 | Y558 A560 E564 L565 E566 | Y558-I562 WeakPolarHBondContact O-CD1 3.5Å; Y558-I562 VanDerWaalsContact O-CG1 3.25Å; Y558-I562 WeakPolarHBondContact O-CG1 3.42Å; Y558-I562 PolarHBondContact O-N 3.19Å; A560-I562 VanDerWaalsContact C-N 3.3Å; A560-I562 PolarHBondContact O-N 3.26Å; I562-E564 PolarHBondContact O-N 2.75Å; I562-L565 PolarHBondContact O-N 2.93Å; I562-E566 HydrophobicContact CG2-CG 4.37Å; I562-E566 WeakPolarHBondContact O-CG 3.47Å; I562-E566 PolarHBondContact O-N 3.16Å |
| 563 | A | 85 | Confident | 84 | Confident | 45 Ų | 45 | 107.1 Ų | 107.1 | 37% | 0.372 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.6 | -37.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q559 A560 M567 | Q559-A563 PolarHBondContact O-N 2.83Å; A560-A563 PolarHBondContact O-N 3.35Å; A560-A563 VanDerWaalsContact O-N 3.13Å; A563-M567 WeakPolarHBondContact O-CG 3.36Å; A563-M567 PolarHBondContact O-N 3.44Å |
| 564 | E | 84.6 | Confident | 84.1 | Confident | 135 Ų | 135 | 105.2 Ų | 105.2 | 63% | 0.631 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.9 | -40.9 | 173.2 | -72.5 | -172.6 | 141.6 | 0 | 0 | 112 | A560 I562 T568 | A560-E564 PolarHBondContact O-N 3.02Å; I562-E564 PolarHBondContact O-N 2.75Å; E564-T568 WeakPolarHBondContact O-CB 3.39Å; E564-T568 PolarHBondContact O-N 3.17Å; E564-T568 PolarHBondContact O-OG1 3.29Å |
| 565 | L | 86 | Confident | 84.3 | Confident | 112 Ų | 112 | 104.2 Ų | 104.2 | 59% | 0.586 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.2 | -41.8 | 176.6 | -72.3 | 169.7 | 0 | 0 | 0 | 112.2 | E561 I562 T568 I569 | E561-L565 WeakPolarHBondContact O-CB 3.49Å; E561-L565 WeakPolarHBondContact O-CD1 3.37Å; E561-L565 VanDerWaalsContact O-CG 3.24Å; E561-L565 WeakPolarHBondContact O-CG 3.37Å; E561-L565 PolarHBondContact O-N 3.37Å; E561-L565 VanDerWaalsContact O-N 3.15Å; I562-L565 PolarHBondContact O-N 2.93Å; L565-T568 PolarHBondContact O-N 3.36Å; L565-I569 WeakPolarHBondContact O-CG1 3.33Å; L565-I569 PolarHBondContact O-N 2.89Å |
| 566 | E | 85.8 | Confident | 84.5 | Confident | 128 Ų | 128 | 101.7 Ų | 101.7 | 60% | 0.598 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.1 | -47.6 | 175 | -73 | 178.6 | 153.8 | 0 | 0 | 111.7 | I562 T568 I569 D570 | I562-E566 HydrophobicContact CG2-CG 4.37Å; I562-E566 WeakPolarHBondContact O-CG 3.47Å; I562-E566 PolarHBondContact O-N 3.16Å; E566-T568 VanDerWaalsContact C-N 3.3Å; E566-T568 PolarHBondContact O-N 3.16Å; E566-I569 PolarHBondContact O-N 3.46Å; E566-D570 PolarHBondContact O-N 3.49Å |
| 567 | M | 84.1 | Confident | 84.7 | Confident | 131 Ų | 131 | 98.7 Ų | 98.7 | 65% | 0.645 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62 | -36.7 | 174.4 | -73.6 | -171.8 | 68.3 | 0 | 0 | 112.6 | A563 N571 | A563-M567 WeakPolarHBondContact O-CG 3.36Å; A563-M567 PolarHBondContact O-N 3.44Å; M567-N571 WeakPolarHBondContact O-CB 3.43Å; M567-N571 VanDerWaalsContact O-CG 3.27Å; M567-N571 PolarHBondContact O-N 3.37Å; M567-N571 VanDerWaalsContact O-N 3.08Å; M567-N571 PolarHBondContact O-ND2 3.01Å; M567-N571 VanDerWaalsContact O-ND2 3.1Å |
| 568 | T | 86.6 | Confident | 84.7 | Confident | 73 Ų | 73 | 100 Ų | 100 | 45% | 0.448 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.8 | -42.8 | 178.4 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | E564 L565 E566 L572 | E564-T568 WeakPolarHBondContact O-CB 3.39Å; E564-T568 PolarHBondContact O-N 3.17Å; E564-T568 PolarHBondContact O-OG1 3.29Å; L565-T568 PolarHBondContact O-N 3.36Å; E566-T568 VanDerWaalsContact C-N 3.3Å; E566-T568 PolarHBondContact O-N 3.16Å; T568-L572 HydrophobicContact CG2-CD1 4.1Å; T568-L572 WeakPolarHBondContact O-CB 3.48Å; T568-L572 VanDerWaalsContact O-CG 3.3Å; T568-L572 WeakPolarHBondContact O-CG 3.32Å; T568-L572 PolarHBondContact O-N 2.86Å |
| 569 | I | 84.1 | Confident | 84.7 | Confident | 102 Ų | 102 | 95.7 Ų | 95.7 | 52% | 0.523 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 176.5 | -70.6 | 165.8 | 0 | 0 | 0 | 111.1 | L565 E566 N571 L572 N573 | L565-I569 WeakPolarHBondContact O-CG1 3.33Å; L565-I569 PolarHBondContact O-N 2.89Å; E566-I569 PolarHBondContact O-N 3.46Å; I569-N571 PolarHBondContact O-N 2.93Å; I569-L572 PolarHBondContact O-N 2.94Å; I569-N573 WeakPolarHBondContact O-CB 3.49Å; I569-N573 PolarHBondContact O-N 3.08Å; I569-N573 PolarHBondContact O-ND2 3.22Å |
| 570 | D | 85.8 | Confident | 84.9 | Confident | 73 Ų | 73 | 95.3 Ų | 95.3 | 39% | 0.39 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.7 | -37.3 | -178.6 | -156.1 | 60.1 | 0 | 0 | 0 | 112.2 | E566 N573 R574 | E566-D570 PolarHBondContact O-N 3.49Å; D570-N573 PolarHBondContact O-N 2.91Å; D570-R574 VanDerWaalsContact O-CG 3.31Å; D570-R574 WeakPolarHBondContact O-CG 3.32Å; D570-R574 PolarHBondContact O-N 2.98Å; D570-R574 VanDerWaalsContact O-N 3.07Å; D570-R574 IonicContact OD2-CZ 3.82Å; D570-R574 IonicContact OD2-NE 3.52Å; D570-R574 PolarHBondContact OD2-NE 3.11Å; D570-R574 IonicContact OD2-NH2 2.72Å; D570-R574 PolarHBondContact OD2-NH2 2.98Å |
| 571 | N | 84.9 | Confident | 85.2 | Confident | 96 Ų | 96 | 99.1 Ų | 99.1 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 171.7 | -75.5 | -32.2 | 0 | 0 | 0 | 112.5 | M567 I569 N573 R574 A575 | M567-N571 WeakPolarHBondContact O-CB 3.43Å; M567-N571 VanDerWaalsContact O-CG 3.27Å; M567-N571 PolarHBondContact O-N 3.37Å; M567-N571 VanDerWaalsContact O-N 3.08Å; M567-N571 PolarHBondContact O-ND2 3.01Å; M567-N571 VanDerWaalsContact O-ND2 3.1Å; I569-N571 PolarHBondContact O-N 2.93Å; N571-N573 PolarHBondContact O-N 3.45Å; N571-R574 PolarHBondContact O-N 3.02Å; N571-A575 PolarHBondContact O-N 3.1Å |
| 572 | L | 86.8 | Confident | 85.3 | Confident | 114 Ų | 114 | 99.2 Ų | 99.2 | 60% | 0.597 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.8 | -39.2 | 177.5 | -73.4 | 169.9 | 0 | 0 | 0 | 112.2 | T568 I569 A575 N576 | T568-L572 HydrophobicContact CG2-CD1 4.1Å; T568-L572 WeakPolarHBondContact O-CB 3.48Å; T568-L572 VanDerWaalsContact O-CG 3.3Å; T568-L572 WeakPolarHBondContact O-CG 3.32Å; T568-L572 PolarHBondContact O-N 2.86Å; I569-L572 PolarHBondContact O-N 2.94Å; L572-A575 PolarHBondContact O-N 3.48Å; L572-N576 WeakPolarHBondContact O-CB 3.42Å; L572-N576 PolarHBondContact O-N 3.03Å |
| 573 | N | 84.8 | Confident | 85.4 | Confident | 91 Ų | 91 | 99.9 Ų | 99.9 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 176 | -78.3 | -32.4 | 0 | 0 | 0 | 112.3 | I569 D570 N571 N576 L577 | I569-N573 WeakPolarHBondContact O-CB 3.49Å; I569-N573 PolarHBondContact O-N 3.08Å; I569-N573 PolarHBondContact O-ND2 3.22Å; D570-N573 PolarHBondContact O-N 2.91Å; N571-N573 PolarHBondContact O-N 3.45Å; N573-N576 PolarHBondContact O-N 2.92Å; N573-L577 PolarHBondContact O-N 3.17Å |
| 574 | R | 84.7 | Confident | 85.5 | Confident | 156 Ų | 156 | 104.6 Ų | 104.6 | 59% | 0.589 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.1 | -47 | 175.1 | -68.4 | 171.7 | -164.4 | -154.7 | 5.8 | 111.6 | D570 N571 N576 L577 E578 | D570-R574 VanDerWaalsContact O-CG 3.31Å; D570-R574 WeakPolarHBondContact O-CG 3.32Å; D570-R574 PolarHBondContact O-N 2.98Å; D570-R574 VanDerWaalsContact O-N 3.07Å; D570-R574 IonicContact OD2-CZ 3.82Å; D570-R574 IonicContact OD2-NE 3.52Å; D570-R574 PolarHBondContact OD2-NE 3.11Å; D570-R574 IonicContact OD2-NH2 2.72Å; D570-R574 PolarHBondContact OD2-NH2 2.98Å; N571-R574 PolarHBondContact O-N 3.02Å; R574-N576 VanDerWaalsContact C-N 3.34Å; R574-N576 PolarHBondContact O-N 2.9Å; R574-L577 WeakPolarHBondContact O-CB 3.27Å; R574-L577 PolarHBondContact O-N 3.37Å; R574-L577 VanDerWaalsContact O-N 3.13Å; R574-E578 PolarHBondContact O-N 2.87Å |
| 575 | A | 85 | Confident | 85.6 | Confident | 56 Ų | 56 | 104.8 Ų | 104.8 | 46% | 0.463 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.1 | -41.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | N571 L572 E578 A579 | N571-A575 PolarHBondContact O-N 3.1Å; L572-A575 PolarHBondContact O-N 3.48Å; A575-E578 PolarHBondContact O-N 3.46Å; A575-A579 WeakPolarHBondContact O-CB 3.22Å; A575-A579 PolarHBondContact O-N 2.97Å |
| 576 | N | 86.6 | Confident | 85.5 | Confident | 84 Ų | 84 | 104.6 Ų | 104.6 | 45% | 0.449 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 173.9 | -172.4 | -0.9 | 0 | 0 | 0 | 111.7 | L572 N573 R574 E578 A579 Q580 | L572-N576 WeakPolarHBondContact O-CB 3.42Å; L572-N576 PolarHBondContact O-N 3.03Å; N573-N576 PolarHBondContact O-N 2.92Å; R574-N576 VanDerWaalsContact C-N 3.34Å; R574-N576 PolarHBondContact O-N 2.9Å; N576-E578 VanDerWaalsContact C-N 3.33Å; N576-E578 PolarHBondContact O-N 3.29Å; N576-A579 PolarHBondContact O-N 3.2Å; N576-Q580 WeakPolarHBondContact O-CG 3.35Å; N576-Q580 PolarHBondContact O-N 3.4Å; N576-Q580 PolarHBondContact OD1-NE2 2.89Å |
| 577 | L | 86.4 | Confident | 85.6 | Confident | 99 Ų | 99 | 101 Ų | 101 | 52% | 0.518 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.9 | -34.8 | 178.3 | -151.2 | 93.7 | 0 | 0 | 0 | 112.8 | N573 R574 K581 | N573-L577 PolarHBondContact O-N 3.17Å; R574-L577 WeakPolarHBondContact O-CB 3.27Å; R574-L577 PolarHBondContact O-N 3.37Å; R574-L577 VanDerWaalsContact O-N 3.13Å; L577-K581 WeakPolarHBondContact O-CG 3.43Å; L577-K581 PolarHBondContact O-N 3.22Å |
| 578 | E | 83.6 | Confident | 85.6 | Confident | 128 Ų | 128 | 99.4 Ų | 99.4 | 60% | 0.598 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -74.1 | -38.2 | 174.5 | -69 | -171.2 | 154 | 0 | 0 | 112.6 | R574 A575 N576 K581 T582 | R574-E578 PolarHBondContact O-N 2.87Å; A575-E578 PolarHBondContact O-N 3.46Å; N576-E578 VanDerWaalsContact C-N 3.33Å; N576-E578 PolarHBondContact O-N 3.29Å; E578-K581 PolarHBondContact O-N 3.17Å; E578-T582 WeakPolarHBondContact O-CB 3.27Å; E578-T582 PolarHBondContact O-N 3.26Å; E578-T582 PolarHBondContact O-OG1 2.97Å |
| 579 | A | 83.1 | Confident | 85.5 | Confident | 46 Ų | 46 | 101 Ų | 101 | 38% | 0.38 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.5 | -46.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A575 N576 K581 T582 I583 | A575-A579 WeakPolarHBondContact O-CB 3.22Å; A575-A579 PolarHBondContact O-N 2.97Å; N576-A579 PolarHBondContact O-N 3.2Å; A579-K581 PolarHBondContact O-N 3.02Å; A579-T582 WeakPolarHBondContact O-CB 3.29Å; A579-T582 PolarHBondContact O-N 2.88Å; A579-T582 VanDerWaalsContact O-N 3.14Å; A579-I583 WeakPolarHBondContact O-CG1 3.31Å; A579-I583 PolarHBondContact O-N 3.37Å |
| 580 | Q | 88 | Confident | 85.5 | Confident | 112 Ų | 112 | 101.1 Ų | 101.1 | 52% | 0.523 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 177.3 | -71.1 | 178.6 | 31.9 | 0 | 0 | 113 | N576 T582 K584 | N576-Q580 WeakPolarHBondContact O-CG 3.35Å; N576-Q580 PolarHBondContact O-N 3.4Å; N576-Q580 PolarHBondContact OD1-NE2 2.89Å; Q580-T582 VanDerWaalsContact C-N 3.31Å; Q580-T582 PolarHBondContact O-N 3.36Å; Q580-K584 PolarHBondContact O-N 3.01Å; Q580-K584 VanDerWaalsContact O-N 3.07Å |
| 581 | K | 88.6 | Confident | 85.6 | Confident | 133 Ų | 133 | 106.8 Ų | 106.8 | 58% | 0.578 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.9 | -40.9 | 172.7 | -73.3 | 169.2 | -176.1 | 173.8 | 0 | 111.8 | L577 E578 A579 K584 K585 | L577-K581 WeakPolarHBondContact O-CG 3.43Å; L577-K581 PolarHBondContact O-N 3.22Å; E578-K581 PolarHBondContact O-N 3.17Å; A579-K581 PolarHBondContact O-N 3.02Å; K581-K584 PolarHBondContact O-N 2.92Å; K581-K585 PolarHBondContact O-N 2.94Å |
| 582 | T | 84.5 | Confident | 85.6 | Confident | 75 Ų | 75 | 107.2 Ų | 107.2 | 46% | 0.46 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.6 | -47 | -179.5 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | E578 A579 Q580 K584 K585 Q586 | E578-T582 WeakPolarHBondContact O-CB 3.27Å; E578-T582 PolarHBondContact O-N 3.26Å; E578-T582 PolarHBondContact O-OG1 2.97Å; A579-T582 WeakPolarHBondContact O-CB 3.29Å; A579-T582 PolarHBondContact O-N 2.88Å; A579-T582 VanDerWaalsContact O-N 3.14Å; Q580-T582 VanDerWaalsContact C-N 3.31Å; Q580-T582 PolarHBondContact O-N 3.36Å; T582-K584 VanDerWaalsContact C-N 3.31Å; T582-K584 PolarHBondContact O-N 2.97Å; T582-K585 PolarHBondContact O-N 3.01Å; T582-Q586 WeakPolarHBondContact O-CG 3.37Å; T582-Q586 PolarHBondContact O-N 3.06Å |
| 583 | I | 83.4 | Confident | 85.4 | Confident | 108 Ų | 108 | 107 Ų | 107 | 55% | 0.554 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -56.5 | -45.7 | 174.8 | -69.6 | 163.7 | 0 | 0 | 0 | 110.6 | A579 Q586 A587 | A579-I583 WeakPolarHBondContact O-CG1 3.31Å; A579-I583 PolarHBondContact O-N 3.37Å; I583-Q586 PolarHBondContact O-N 3.02Å; I583-A587 PolarHBondContact O-N 3.4Å |
| 584 | K | 88.8 | Confident | 85.3 | Confident | 145 Ų | 145 | 108.3 Ų | 108.3 | 63% | 0.63 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.6 | -44.8 | 179.9 | -162.5 | 173.7 | -175 | -180 | 0 | 112 | Q580 K581 T582 Q586 A587 D588 | Q580-K584 PolarHBondContact O-N 3.01Å; Q580-K584 VanDerWaalsContact O-N 3.07Å; K581-K584 PolarHBondContact O-N 2.92Å; T582-K584 VanDerWaalsContact C-N 3.31Å; T582-K584 PolarHBondContact O-N 2.97Å; K584-Q586 VanDerWaalsContact C-N 3.33Å; K584-Q586 PolarHBondContact O-N 3.25Å; K584-A587 PolarHBondContact O-N 3.42Å; K584-D588 PolarHBondContact O-N 3.28Å |
| 585 | K | 86.6 | Confident | 85.3 | Confident | 139 Ų | 139 | 103.9 Ų | 103.9 | 60% | 0.604 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.5 | -41.6 | 174.6 | -175.5 | -179 | 176.7 | -176 | 0 | 112.2 | K581 T582 D588 Q589 | K581-K585 PolarHBondContact O-N 2.94Å; T582-K585 PolarHBondContact O-N 3.01Å; K585-D588 PolarHBondContact O-N 3.5Å; K585-Q589 WeakPolarHBondContact O-CB 3.5Å; K585-Q589 VanDerWaalsContact O-CG 3.31Å; K585-Q589 WeakPolarHBondContact O-CG 3.23Å; K585-Q589 PolarHBondContact O-N 3.27Å |
| 586 | Q | 84 | Confident | 85.2 | Confident | 107 Ų | 107 | 104.2 Ų | 104.2 | 50% | 0.5 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.6 | -39.2 | 177.1 | -73.9 | 173.8 | -21.7 | 0 | 0 | 112.3 | T582 I583 K584 Q589 L590 | T582-Q586 WeakPolarHBondContact O-CG 3.37Å; T582-Q586 PolarHBondContact O-N 3.06Å; I583-Q586 PolarHBondContact O-N 3.02Å; K584-Q586 VanDerWaalsContact C-N 3.33Å; K584-Q586 PolarHBondContact O-N 3.25Å; Q586-Q589 PolarHBondContact O-N 2.93Å; Q586-L590 WeakPolarHBondContact O-CB 3.36Å; Q586-L590 PolarHBondContact O-N 3.03Å |
| 587 | A | 86.3 | Confident | 85.1 | Confident | 54 Ų | 54 | 107.6 Ų | 107.6 | 45% | 0.446 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I583 K584 L590 R591 | I583-A587 PolarHBondContact O-N 3.4Å; K584-A587 PolarHBondContact O-N 3.42Å; A587-L590 PolarHBondContact O-N 3.44Å; A587-R591 PolarHBondContact O-N 2.96Å; A587-R591 VanDerWaalsContact O-N 3.08Å |
| 588 | D | 85.1 | Confident | 85.2 | Confident | 96 Ų | 96 | 108.3 Ų | 108.3 | 51% | 0.513 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 175.7 | -67.8 | -33.1 | 0 | 0 | 0 | 111.4 | K584 K585 R591 V592 | K584-D588 PolarHBondContact O-N 3.28Å; K585-D588 PolarHBondContact O-N 3.5Å; D588-R591 PolarHBondContact O-N 2.9Å; D588-V592 WeakPolarHBondContact O-CG2 3.49Å; D588-V592 PolarHBondContact O-N 3.39Å; D588-V592 VanDerWaalsContact O-N 3.17Å |
| 589 | Q | 84.8 | Confident | 85.1 | Confident | 106 Ų | 106 | 105.3 Ų | 105.3 | 50% | 0.495 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | 174.7 | -75 | -179.7 | -60.2 | 0 | 0 | 112.8 | K585 Q586 R591 V592 L593 | K585-Q589 WeakPolarHBondContact O-CB 3.5Å; K585-Q589 VanDerWaalsContact O-CG 3.31Å; K585-Q589 WeakPolarHBondContact O-CG 3.23Å; K585-Q589 PolarHBondContact O-N 3.27Å; Q586-Q589 PolarHBondContact O-N 2.93Å; Q589-R591 VanDerWaalsContact C-N 3.32Å; Q589-R591 PolarHBondContact O-N 2.68Å; Q589-V592 PolarHBondContact O-N 3.41Å; Q589-L593 WeakPolarHBondContact O-CG 3.5Å; Q589-L593 PolarHBondContact O-N 2.88Å |
| 590 | L | 82.6 | Confident | 85 | Confident | 106 Ų | 106 | 106.9 Ų | 106.9 | 56% | 0.555 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.3 | -42 | 175 | -85.7 | 165.2 | 0 | 0 | 0 | 111.9 | Q586 A587 L593 Q594 | Q586-L590 WeakPolarHBondContact O-CB 3.36Å; Q586-L590 PolarHBondContact O-N 3.03Å; A587-L590 PolarHBondContact O-N 3.44Å; L590-L593 PolarHBondContact O-N 2.93Å; L590-Q594 WeakPolarHBondContact O-CG 3.35Å; L590-Q594 PolarHBondContact O-N 3.47Å |
| 591 | R | 88.5 | Confident | 84.8 | Confident | 191 Ų | 191 | 106.8 Ų | 106.8 | 72% | 0.721 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.5 | -38.7 | 179.4 | -170.8 | 174.5 | -176.5 | 152.9 | 4.2 | 112.9 | A587 D588 Q589 S595 | A587-R591 PolarHBondContact O-N 2.96Å; A587-R591 VanDerWaalsContact O-N 3.08Å; D588-R591 PolarHBondContact O-N 2.9Å; Q589-R591 VanDerWaalsContact C-N 3.32Å; Q589-R591 PolarHBondContact O-N 2.68Å; R591-S595 PolarHBondContact O-N 3.33Å; R591-S595 VanDerWaalsContact O-N 3.16Å |
| 592 | V | 86.1 | Confident | 84.7 | Confident | 105 Ų | 105 | 106.6 Ų | 106.6 | 64% | 0.636 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.1 | -43.4 | 174 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | D588 Q589 S595 S596 | D588-V592 WeakPolarHBondContact O-CG2 3.49Å; D588-V592 PolarHBondContact O-N 3.39Å; D588-V592 VanDerWaalsContact O-N 3.17Å; Q589-V592 PolarHBondContact O-N 3.41Å; V592-S595 PolarHBondContact O-N 3.37Å; V592-S596 PolarHBondContact O-N 2.93Å |
| 593 | L | 81.2 | Confident | 84.7 | Confident | 109 Ų | 109 | 109.1 Ų | 109.1 | 57% | 0.571 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.5 | -44.6 | 176.8 | -74.4 | 167.4 | 0 | 0 | 0 | 112 | Q589 L590 S595 S596 Y597 | Q589-L593 WeakPolarHBondContact O-CG 3.5Å; Q589-L593 PolarHBondContact O-N 2.88Å; L590-L593 PolarHBondContact O-N 2.93Å; L593-S595 PolarHBondContact O-N 3.1Å; L593-S596 PolarHBondContact O-N 2.92Å; L593-S596 PolarHBondContact O-OG 3.33Å; L593-Y597 WeakPolarHBondContact O-CB 3.18Å; L593-Y597 PolarHBondContact O-N 2.93Å |
| 594 | Q | 84.2 | Confident | 84.7 | Confident | 119 Ų | 119 | 108.7 Ų | 108.7 | 56% | 0.556 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -56.6 | -49.9 | 174.9 | -76.3 | 174.9 | -40.1 | 0 | 0 | 112.1 | L590 S596 Y597 E598 | L590-Q594 WeakPolarHBondContact O-CG 3.35Å; L590-Q594 PolarHBondContact O-N 3.47Å; Q594-S596 VanDerWaalsContact C-N 3.32Å; Q594-S596 PolarHBondContact O-N 2.97Å; Q594-Y597 PolarHBondContact O-N 3.36Å; Q594-Y597 VanDerWaalsContact O-N 3.16Å; Q594-E598 PolarHBondContact O-N 3.29Å |
| 595 | S | 84.4 | Confident | 84.5 | Confident | 64 Ų | 64 | 106.7 Ų | 106.7 | 45% | 0.448 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59 | -42.4 | 177 | -166 | 0 | 0 | 0 | 0 | 112.1 | R591 V592 L593 Y597 E598 D599 | R591-S595 PolarHBondContact O-N 3.33Å; R591-S595 VanDerWaalsContact O-N 3.16Å; V592-S595 PolarHBondContact O-N 3.37Å; L593-S595 PolarHBondContact O-N 3.1Å; S595-Y597 VanDerWaalsContact C-N 3.32Å; S595-Y597 PolarHBondContact O-N 3.4Å; S595-E598 PolarHBondContact O-N 2.96Å; S595-D599 PolarHBondContact O-N 3.32Å |
| 596 | S | 82.8 | Confident | 84.4 | Confident | 62 Ų | 62 | 105.4 Ų | 105.4 | 43% | 0.434 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.5 | -33.6 | 178.4 | 74 | 0 | 0 | 0 | 0 | 113 | V592 L593 Q594 C600 | V592-S596 PolarHBondContact O-N 2.93Å; L593-S596 PolarHBondContact O-N 2.92Å; L593-S596 PolarHBondContact O-OG 3.33Å; Q594-S596 VanDerWaalsContact C-N 3.32Å; Q594-S596 PolarHBondContact O-N 2.97Å; S596-C600 WeakPolarHBondContact O-CB 3.36Å; S596-C600 PolarHBondContact O-N 3.2Å |
| 597 | Y | 84.8 | Confident | 84.3 | Confident | 155 Ų | 155 | 104 Ų | 104 | 61% | 0.608 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -70.2 | -45.2 | 176 | 178.8 | -90.4 | 0 | 0 | 0 | 111.3 | L593 Q594 S595 D599 C600 Q601 | L593-Y597 WeakPolarHBondContact O-CB 3.18Å; L593-Y597 PolarHBondContact O-N 2.93Å; Q594-Y597 PolarHBondContact O-N 3.36Å; Q594-Y597 VanDerWaalsContact O-N 3.16Å; S595-Y597 VanDerWaalsContact C-N 3.32Å; S595-Y597 PolarHBondContact O-N 3.4Å; Y597-D599 PolarHBondContact O-N 3.05Å; Y597-C600 PolarHBondContact O-N 3.48Å; Y597-Q601 WeakPolarHBondContact O-CB 3.32Å; Y597-Q601 PolarHBondContact O-N 2.97Å |
| 598 | E | 86.7 | Confident | 84.3 | Confident | 114 Ų | 114 | 105.3 Ų | 105.3 | 53% | 0.533 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62 | -41.6 | 176.8 | -72.4 | 176.9 | -162.5 | 0 | 0 | 112.5 | Q594 S595 R602 | Q594-E598 PolarHBondContact O-N 3.29Å; S595-E598 PolarHBondContact O-N 2.96Å; E598-R602 WeakPolarHBondContact O-CB 3.23Å; E598-R602 PolarHBondContact O-N 2.92Å |
| 599 | D | 82.5 | Confident | 84.3 | Confident | 65 Ų | 65 | 104.5 Ų | 104.5 | 35% | 0.348 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.3 | -41.7 | 175.5 | -74.4 | -26 | 0 | 0 | 0 | 111.9 | S595 Y597 R602 Q603 | S595-D599 PolarHBondContact O-N 3.32Å; Y597-D599 PolarHBondContact O-N 3.05Å; D599-R602 PolarHBondContact O-N 3.3Å; D599-R602 IonicContact OD1-CZ 3.17Å; D599-R602 IonicContact OD1-NH1 3.78Å; D599-R602 PolarHBondContact OD1-NH1 2.69Å; D599-R602 IonicContact OD1-NH2 2.76Å; D599-R602 PolarHBondContact OD1-NH2 2.8Å; D599-Q603 WeakPolarHBondContact O-CG 3.37Å; D599-Q603 PolarHBondContact O-N 3.2Å |
| 600 | C | 80.7 | Confident | 84.1 | Confident | 80 Ų | 80 | 105.8 Ų | 105.8 | 54% | 0.541 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 176 | -169.5 | 0 | 0 | 0 | 0 | 111.9 | S596 Y597 R602 Q603 L604 | S596-C600 WeakPolarHBondContact O-CB 3.36Å; S596-C600 PolarHBondContact O-N 3.2Å; Y597-C600 PolarHBondContact O-N 3.48Å; C600-R602 VanDerWaalsContact C-N 3.31Å; C600-R602 PolarHBondContact O-N 2.93Å; C600-Q603 PolarHBondContact O-N 3.14Å; C600-L604 WeakPolarHBondContact O-CB 3.48Å; C600-L604 PolarHBondContact O-N 3.47Å |
| 601 | Q | 84.4 | Confident | 84.1 | Confident | 109 Ų | 109 | 107.4 Ų | 107.4 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.9 | -36 | 174.7 | -169.8 | 176.4 | 7.6 | 0 | 0 | 111.8 | Y597 L604 Q605 | Y597-Q601 WeakPolarHBondContact O-CB 3.32Å; Y597-Q601 PolarHBondContact O-N 2.97Å; Q601-L604 PolarHBondContact O-N 3.46Å; Q601-Q605 PolarHBondContact O-N 3.07Å; Q601-Q605 VanDerWaalsContact O-N 3.11Å |
| 602 | R | 85.3 | Confident | 83.9 | Confident | 130 Ų | 130 | 100.1 Ų | 100.1 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.1 | -39 | 175.7 | -150.7 | -178 | -48.7 | 114 | 14.6 | 112.3 | E598 D599 C600 Q606 | E598-R602 WeakPolarHBondContact O-CB 3.23Å; E598-R602 PolarHBondContact O-N 2.92Å; D599-R602 PolarHBondContact O-N 3.3Å; D599-R602 IonicContact OD1-CZ 3.17Å; D599-R602 IonicContact OD1-NH1 3.78Å; D599-R602 PolarHBondContact OD1-NH1 2.69Å; D599-R602 IonicContact OD1-NH2 2.76Å; D599-R602 PolarHBondContact OD1-NH2 2.8Å; C600-R602 VanDerWaalsContact C-N 3.31Å; C600-R602 PolarHBondContact O-N 2.93Å; R602-Q606 WeakPolarHBondContact O-CG 3.46Å; R602-Q606 PolarHBondContact O-N 2.88Å |
| 603 | Q | 84.7 | Confident | 83.8 | Confident | 127 Ų | 127 | 99.9 Ų | 99.9 | 59% | 0.593 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.8 | -41.2 | 172.5 | -71.1 | 178.2 | 8.5 | 0 | 0 | 111.9 | D599 C600 Q605 Q606 T607 | D599-Q603 WeakPolarHBondContact O-CG 3.37Å; D599-Q603 PolarHBondContact O-N 3.2Å; C600-Q603 PolarHBondContact O-N 3.14Å; Q603-Q605 PolarHBondContact O-N 2.96Å; Q603-Q606 PolarHBondContact O-N 3.47Å; Q603-T607 PolarHBondContact O-N 3.38Å; Q603-T607 PolarHBondContact O-OG1 3.41Å |
| 604 | L | 84.3 | Confident | 83.9 | Confident | 100 Ų | 100 | 97.3 Ų | 97.3 | 52% | 0.524 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59 | -44.2 | 176.1 | 178 | 61.7 | 0 | 0 | 0 | 111.9 | C600 Q601 Q606 T607 L608 | C600-L604 WeakPolarHBondContact O-CB 3.48Å; C600-L604 PolarHBondContact O-N 3.47Å; Q601-L604 PolarHBondContact O-N 3.46Å; L604-Q606 VanDerWaalsContact C-N 3.34Å; L604-Q606 PolarHBondContact O-N 3.37Å; L604-T607 PolarHBondContact O-N 2.93Å; L604-T607 PolarHBondContact O-OG1 3.03Å; L604-L608 HydrophobicContact CD1-CD1 4.24Å; L604-L608 HydrophobicContact CD1-CG 4.26Å; L604-L608 HydrophobicContact CG-CD1 4.07Å; L604-L608 VanDerWaalsContact O-CG 3.29Å; L604-L608 WeakPolarHBondContact O-CG 3.32Å; L604-L608 PolarHBondContact O-N 3.39Å |
| 605 | Q | 84.3 | Confident | 83.7 | Confident | 102 Ų | 102 | 96.3 Ų | 96.3 | 48% | 0.477 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 176.3 | -172.1 | 60.9 | 50.6 | 0 | 0 | 111.6 | Q601 Q603 T607 L608 D609 | Q601-Q605 PolarHBondContact O-N 3.07Å; Q601-Q605 VanDerWaalsContact O-N 3.11Å; Q603-Q605 PolarHBondContact O-N 2.96Å; Q605-T607 VanDerWaalsContact C-N 3.33Å; Q605-T607 PolarHBondContact O-N 3.12Å; Q605-L608 PolarHBondContact O-N 2.85Å; Q605-D609 PolarHBondContact NE2-OD1 3.35Å; Q605-D609 PolarHBondContact O-N 3.06Å |
| 606 | Q | 84 | Confident | 83.7 | Confident | 112 Ų | 112 | 102.3 Ų | 102.3 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -37.3 | 177.9 | -70.7 | 178.2 | -7 | 0 | 0 | 112.8 | R602 Q603 L604 Q610 | R602-Q606 WeakPolarHBondContact O-CG 3.46Å; R602-Q606 PolarHBondContact O-N 2.88Å; Q603-Q606 PolarHBondContact O-N 3.47Å; L604-Q606 VanDerWaalsContact C-N 3.34Å; L604-Q606 PolarHBondContact O-N 3.37Å; Q606-Q610 VanDerWaalsContact O-CG 3.28Å; Q606-Q610 WeakPolarHBondContact O-CG 3.28Å; Q606-Q610 PolarHBondContact O-N 2.93Å; Q606-Q610 VanDerWaalsContact O-N 3.11Å |
| 607 | T | 82.2 | Confident | 83.9 | Confident | 77 Ų | 77 | 106.1 Ų | 106.1 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -73.4 | -33.4 | 175.2 | 52.5 | 0 | 0 | 0 | 0 | 112.7 | Q603 L604 Q605 Y611 | Q603-T607 PolarHBondContact O-N 3.38Å; Q603-T607 PolarHBondContact O-OG1 3.41Å; L604-T607 PolarHBondContact O-N 2.93Å; L604-T607 PolarHBondContact O-OG1 3.03Å; Q605-T607 VanDerWaalsContact C-N 3.33Å; Q605-T607 PolarHBondContact O-N 3.12Å; T607-Y611 VanDerWaalsContact O-CB 3.26Å; T607-Y611 WeakPolarHBondContact O-CB 3.35Å; T607-Y611 PolarHBondContact O-N 3.36Å |
| 608 | L | 86.9 | Confident | 83.7 | Confident | 83 Ų | 83 | 104.2 Ų | 104.2 | 44% | 0.435 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 172.7 | -70.9 | 171.4 | 0 | 0 | 0 | 112.2 | L604 Q605 Y611 A612 | L604-L608 HydrophobicContact CD1-CD1 4.24Å; L604-L608 HydrophobicContact CD1-CG 4.26Å; L604-L608 HydrophobicContact CG-CD1 4.07Å; L604-L608 VanDerWaalsContact O-CG 3.29Å; L604-L608 WeakPolarHBondContact O-CG 3.32Å; L604-L608 PolarHBondContact O-N 3.39Å; Q605-L608 PolarHBondContact O-N 2.85Å; L608-Y611 PolarHBondContact O-N 3.48Å; L608-A612 WeakPolarHBondContact O-CB 3.34Å; L608-A612 PolarHBondContact O-N 2.94Å |
| 609 | D | 85.6 | Confident | 83.4 | Confident | 79 Ų | 79 | 102.5 Ų | 102.5 | 42% | 0.422 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65 | -42.6 | 176.5 | -64.6 | -20.4 | 0 | 0 | 0 | 111.2 | Q605 A612 I613 | Q605-D609 PolarHBondContact NE2-OD1 3.35Å; Q605-D609 PolarHBondContact O-N 3.06Å; D609-A612 PolarHBondContact O-N 3.12Å; D609-I613 WeakPolarHBondContact O-CG1 3.5Å; D609-I613 PolarHBondContact O-N 3.39Å; D609-I613 VanDerWaalsContact O-N 3.14Å |
| 610 | Q | 80.7 | Confident | 83.4 | Confident | 132 Ų | 132 | 101.7 Ų | 101.7 | 62% | 0.617 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64 | -41.6 | 173.4 | -73.1 | 177.1 | 27.7 | 0 | 0 | 112.2 | Q606 I613 A614 | Q606-Q610 VanDerWaalsContact O-CG 3.28Å; Q606-Q610 WeakPolarHBondContact O-CG 3.28Å; Q606-Q610 PolarHBondContact O-N 2.93Å; Q606-Q610 VanDerWaalsContact O-N 3.11Å; Q610-I613 PolarHBondContact O-N 3.32Å; Q610-A614 PolarHBondContact O-N 3.01Å |
| 611 | Y | 81.9 | Confident | 83.4 | Confident | 141 Ų | 141 | 102.9 Ų | 102.9 | 55% | 0.553 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.2 | -44 | 175.5 | 176.1 | -96.6 | 0 | 0 | 0 | 111.5 | T607 L608 I613 A614 Q615 | T607-Y611 VanDerWaalsContact O-CB 3.26Å; T607-Y611 WeakPolarHBondContact O-CB 3.35Å; T607-Y611 PolarHBondContact O-N 3.36Å; L608-Y611 PolarHBondContact O-N 3.48Å; Y611-I613 VanDerWaalsContact C-N 3.31Å; Y611-I613 PolarHBondContact O-N 2.95Å; Y611-A614 PolarHBondContact O-N 3.35Å; Y611-Q615 WeakPolarHBondContact O-CB 3.46Å; Y611-Q615 PolarHBondContact O-N 2.68Å |
| 612 | A | 83.8 | Confident | 83.3 | Confident | 38 Ų | 38 | 100.4 Ų | 100.4 | 31% | 0.314 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62 | -36.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L608 D609 R616 | L608-A612 WeakPolarHBondContact O-CB 3.34Å; L608-A612 PolarHBondContact O-N 2.94Å; D609-A612 PolarHBondContact O-N 3.12Å; A612-R616 WeakPolarHBondContact O-CG 3.38Å; A612-R616 PolarHBondContact O-N 2.93Å; A612-R616 VanDerWaalsContact O-N 3.14Å |
| 613 | I | 84.3 | Confident | 83.1 | Confident | 99 Ų | 99 | 96.8 Ų | 96.8 | 51% | 0.508 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.7 | -43.4 | 173.5 | -66.9 | 165.4 | 0 | 0 | 0 | 111 | D609 Q610 Y611 R616 K617 | D609-I613 WeakPolarHBondContact O-CG1 3.5Å; D609-I613 PolarHBondContact O-N 3.39Å; D609-I613 VanDerWaalsContact O-N 3.14Å; Q610-I613 PolarHBondContact O-N 3.32Å; Y611-I613 VanDerWaalsContact C-N 3.31Å; Y611-I613 PolarHBondContact O-N 2.95Å; I613-R616 PolarHBondContact O-N 2.94Å; I613-K617 PolarHBondContact O-N 3.41Å; I613-K617 VanDerWaalsContact O-N 3.15Å |
| 614 | A | 82.6 | Confident | 82.9 | Confident | 55 Ų | 55 | 96.1 Ų | 96.1 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q610 Y611 K617 L618 | Q610-A614 PolarHBondContact O-N 3.01Å; Y611-A614 PolarHBondContact O-N 3.35Å; A614-K617 PolarHBondContact O-N 3.37Å; A614-L618 PolarHBondContact O-N 2.93Å |
| 615 | Q | 81.2 | Confident | 82.6 | Confident | 99 Ų | 99 | 96.1 Ų | 96.1 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.3 | -41 | 178.4 | -164.4 | 175.6 | 16 | 0 | 0 | 111.6 | Y611 K617 L618 S619 | Y611-Q615 WeakPolarHBondContact O-CB 3.46Å; Y611-Q615 PolarHBondContact O-N 2.68Å; Q615-K617 PolarHBondContact O-N 3.41Å; Q615-L618 WeakPolarHBondContact O-CB 3.31Å; Q615-L618 PolarHBondContact O-N 3.31Å; Q615-S619 PolarHBondContact O-N 2.93Å; Q615-S619 PolarHBondContact O-OG 3.01Å |
| 616 | R | 84.8 | Confident | 82.5 | Confident | 190 Ų | 190 | 96.4 Ų | 96.4 | 72% | 0.717 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62 | -41.1 | 172.8 | -72.1 | 175.2 | -171.1 | 178.9 | 5.1 | 112.6 | A612 I613 S619 A620 | A612-R616 WeakPolarHBondContact O-CG 3.38Å; A612-R616 PolarHBondContact O-N 2.93Å; A612-R616 VanDerWaalsContact O-N 3.14Å; I613-R616 PolarHBondContact O-N 2.94Å; R616-S619 PolarHBondContact O-N 3.05Å; R616-A620 PolarHBondContact O-N 2.88Å; R616-A620 VanDerWaalsContact O-N 3.1Å |
| 617 | K | 85.3 | Confident | 82.3 | Confident | 142 Ų | 142 | 96.2 Ų | 96.2 | 62% | 0.617 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.7 | -40.9 | 174.1 | -73.6 | -176.3 | 175.5 | -173.9 | 0 | 112 | I613 A614 Q615 A620 L621 | I613-K617 PolarHBondContact O-N 3.41Å; I613-K617 VanDerWaalsContact O-N 3.15Å; A614-K617 PolarHBondContact O-N 3.37Å; Q615-K617 PolarHBondContact O-N 3.41Å; K617-A620 PolarHBondContact O-N 3.13Å; K617-L621 WeakPolarHBondContact O-CB 3.44Å; K617-L621 WeakPolarHBondContact O-CG 3.38Å; K617-L621 PolarHBondContact O-N 2.95Å |
| 618 | L | 80.5 | Confident | 82.1 | Confident | 114 Ų | 114 | 96.6 Ų | 96.6 | 60% | 0.597 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.3 | -42.3 | 176.5 | -175.9 | 66 | 0 | 0 | 0 | 111.5 | A614 Q615 S622 | A614-L618 PolarHBondContact O-N 2.93Å; Q615-L618 WeakPolarHBondContact O-CB 3.31Å; Q615-L618 PolarHBondContact O-N 3.31Å; L618-S622 WeakPolarHBondContact O-CB 3.16Å; L618-S622 PolarHBondContact O-N 3.35Å; L618-S622 PolarHBondContact O-OG 3.39Å |
| 619 | S | 82.3 | Confident | 82 | Confident | 79 Ų | 79 | 96.7 Ų | 96.7 | 55% | 0.552 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63 | -42.4 | 175.6 | -61.9 | 0 | 0 | 0 | 0 | 112.7 | Q615 R616 S622 A623 | Q615-S619 PolarHBondContact O-N 2.93Å; Q615-S619 PolarHBondContact O-OG 3.01Å; R616-S619 PolarHBondContact O-N 3.05Å; S619-S622 PolarHBondContact O-N 3.43Å; S619-A623 PolarHBondContact O-N 2.81Å; S619-A623 VanDerWaalsContact O-N 3.12Å |
| 620 | A | 81.2 | Confident | 81.8 | Confident | 48 Ų | 48 | 96.1 Ų | 96.1 | 40% | 0.397 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63 | -51.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R616 K617 S622 A623 E624 | R616-A620 PolarHBondContact O-N 2.88Å; R616-A620 VanDerWaalsContact O-N 3.1Å; K617-A620 PolarHBondContact O-N 3.13Å; A620-S622 PolarHBondContact O-N 2.98Å; A620-A623 WeakPolarHBondContact O-CB 3.48Å; A620-A623 PolarHBondContact O-N 3.01Å; A620-E624 PolarHBondContact O-N 2.82Å |
| 621 | L | 80.8 | Confident | 81.8 | Confident | 105 Ų | 105 | 92.7 Ų | 92.7 | 55% | 0.55 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.7 | -29.2 | 176.9 | -69.2 | 168.4 | 0 | 0 | 0 | 112.8 | K617 L625 | K617-L621 WeakPolarHBondContact O-CB 3.44Å; K617-L621 WeakPolarHBondContact O-CG 3.38Å; K617-L621 PolarHBondContact O-N 2.95Å; L621-L625 VanDerWaalsContact O-CB 3.27Å; L621-L625 WeakPolarHBondContact O-CB 3.29Å; L621-L625 PolarHBondContact O-N 2.94Å |
| 622 | S | 81.6 | Confident | 81.6 | Confident | 57 Ų | 57 | 90.9 Ų | 90.9 | 40% | 0.399 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -72.1 | -34.7 | 174.8 | -57.8 | 0 | 0 | 0 | 0 | 112.5 | L618 S619 A620 E626 | L618-S622 WeakPolarHBondContact O-CB 3.16Å; L618-S622 PolarHBondContact O-N 3.35Å; L618-S622 PolarHBondContact O-OG 3.39Å; S619-S622 PolarHBondContact O-N 3.43Å; A620-S622 PolarHBondContact O-N 2.98Å; S622-E626 PolarHBondContact O-N 3.27Å |
| 623 | A | 82.2 | Confident | 81.5 | Confident | 54 Ų | 54 | 93.4 Ų | 93.4 | 45% | 0.446 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.8 | -48.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S619 A620 L625 E626 D627 | S619-A623 PolarHBondContact O-N 2.81Å; S619-A623 VanDerWaalsContact O-N 3.12Å; A620-A623 WeakPolarHBondContact O-CB 3.48Å; A620-A623 PolarHBondContact O-N 3.01Å; A623-L625 PolarHBondContact O-N 2.93Å; A623-E626 PolarHBondContact O-N 3.31Å; A623-D627 PolarHBondContact O-N 3.27Å |
| 624 | E | 80.9 | Confident | 81.4 | Confident | 113 Ų | 113 | 92.7 Ų | 92.7 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -55.1 | -38.6 | 175.2 | -69.5 | 171.7 | -167.6 | 0 | 0 | 111.8 | A620 C628 | A620-E624 PolarHBondContact O-N 2.82Å; E624-C628 WeakPolarHBondContact O-CB 3.43Å; E624-C628 PolarHBondContact O-N 2.85Å; E624-C628 PolarHBondContact O-SG 3.32Å |
| 625 | L | 76.8 | Confident | 81.2 | Confident | 100 Ų | 100 | 92.8 Ų | 92.8 | 52% | 0.524 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.5 | -40 | 175.3 | 180 | 63.6 | 0 | 0 | 0 | 113 | L621 A623 K629 | L621-L625 VanDerWaalsContact O-CB 3.27Å; L621-L625 WeakPolarHBondContact O-CB 3.29Å; L621-L625 PolarHBondContact O-N 2.94Å; A623-L625 PolarHBondContact O-N 2.93Å; L625-K629 WeakPolarHBondContact O-CG 3.43Å; L625-K629 PolarHBondContact O-N 2.71Å |
| 626 | E | 82.2 | Confident | 81 | Confident | 107 Ų | 107 | 90.8 Ų | 90.8 | 50% | 0.5 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -73.6 | -39.2 | 179.9 | -139.7 | 65.8 | -148.9 | 0 | 0 | 111.8 | S622 A623 C628 K629 S630 | S622-E626 PolarHBondContact O-N 3.27Å; A623-E626 PolarHBondContact O-N 3.31Å; E626-C628 VanDerWaalsContact C-N 3.34Å; E626-C628 PolarHBondContact O-N 2.99Å; E626-K629 PolarHBondContact O-N 2.96Å; E626-K629 VanDerWaalsContact OE1-CD 3.29Å; E626-K629 WeakPolarHBondContact OE1-CD 3.41Å; E626-K629 IonicContact OE1-NZ 2.76Å; E626-K629 PolarHBondContact OE1-NZ 3.23Å; E626-K629 IonicContact OE2-NZ 2.82Å; E626-K629 PolarHBondContact OE2-NZ 3.01Å; E626-S630 PolarHBondContact O-N 3.4Å |
| 627 | D | 80.7 | Confident | 80.9 | Confident | 109 Ų | 109 | 90.7 Ų | 90.7 | 58% | 0.583 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -57.9 | -47.5 | 170.3 | -72 | -22.2 | 0 | 0 | 0 | 110.4 | A623 K629 S630 A631 | A623-D627 PolarHBondContact O-N 3.27Å; D627-K629 VanDerWaalsContact C-N 3.34Å; D627-K629 PolarHBondContact O-N 3.43Å; D627-S630 PolarHBondContact O-N 3.36Å; D627-S630 VanDerWaalsContact O-N 3.15Å; D627-S630 PolarHBondContact O-OG 2.73Å; D627-A631 PolarHBondContact O-N 2.71Å |
| 628 | C | 79 | Confident | 80.7 | Confident | 84 Ų | 84 | 88.6 Ų | 88.6 | 57% | 0.568 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.1 | -38 | 176.4 | -70.7 | 0 | 0 | 0 | 0 | 113.2 | E624 E626 L632 | E624-C628 WeakPolarHBondContact O-CB 3.43Å; E624-C628 PolarHBondContact O-N 2.85Å; E624-C628 PolarHBondContact O-SG 3.32Å; E626-C628 VanDerWaalsContact C-N 3.34Å; E626-C628 PolarHBondContact O-N 2.99Å; C628-L632 WeakPolarHBondContact O-CB 3.26Å; C628-L632 PolarHBondContact O-N 2.66Å |
| 629 | K | 83.6 | Confident | 80.9 | Confident | 86 Ų | 86 | 89.7 Ų | 89.7 | 37% | 0.374 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 172.9 | -71.9 | 166.9 | -173.2 | 164 | 0 | 111.5 | L625 E626 D627 A631 L632 D633 | L625-K629 WeakPolarHBondContact O-CG 3.43Å; L625-K629 PolarHBondContact O-N 2.71Å; E626-K629 PolarHBondContact O-N 2.96Å; E626-K629 VanDerWaalsContact OE1-CD 3.29Å; E626-K629 WeakPolarHBondContact OE1-CD 3.41Å; E626-K629 IonicContact OE1-NZ 2.76Å; E626-K629 PolarHBondContact OE1-NZ 3.23Å; E626-K629 IonicContact OE2-NZ 2.82Å; E626-K629 PolarHBondContact OE2-NZ 3.01Å; D627-K629 VanDerWaalsContact C-N 3.34Å; D627-K629 PolarHBondContact O-N 3.43Å; K629-A631 VanDerWaalsContact C-N 3.28Å; K629-A631 PolarHBondContact O-N 2.89Å; K629-L632 WeakPolarHBondContact O-CB 3.36Å; K629-L632 PolarHBondContact O-N 2.91Å; K629-L632 VanDerWaalsContact O-N 3.11Å; K629-D633 PolarHBondContact O-N 3.49Å |
| 630 | S | 80.8 | Confident | 80.9 | Confident | 66 Ų | 66 | 92 Ų | 92 | 46% | 0.462 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.1 | -38.4 | -179.3 | 80.7 | 0 | 0 | 0 | 0 | 111.9 | E626 D627 T634 | E626-S630 PolarHBondContact O-N 3.4Å; D627-S630 PolarHBondContact O-N 3.36Å; D627-S630 VanDerWaalsContact O-N 3.15Å; D627-S630 PolarHBondContact O-OG 2.73Å; S630-T634 WeakPolarHBondContact O-CB 3.41Å; S630-T634 PolarHBondContact O-N 3.45Å; S630-T634 PolarHBondContact O-OG1 3.03Å |
| 631 | A | 80.9 | Confident | 80.9 | Confident | 61 Ų | 61 | 95.1 Ų | 95.1 | 50% | 0.504 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.3 | -42.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D627 K629 T634 A635 | D627-A631 PolarHBondContact O-N 2.71Å; K629-A631 VanDerWaalsContact C-N 3.28Å; K629-A631 PolarHBondContact O-N 2.89Å; A631-T634 PolarHBondContact O-N 2.98Å; A631-A635 WeakPolarHBondContact O-CB 3.5Å; A631-A635 PolarHBondContact O-N 3.45Å |
| 632 | L | 78.1 | Confident | 80.8 | Confident | 103 Ų | 103 | 92.7 Ų | 92.7 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.7 | -47 | 176.7 | 178.2 | 61.4 | 0 | 0 | 0 | 112.3 | C628 K629 T634 A635 I636 | C628-L632 WeakPolarHBondContact O-CB 3.26Å; C628-L632 PolarHBondContact O-N 2.66Å; K629-L632 WeakPolarHBondContact O-CB 3.36Å; K629-L632 PolarHBondContact O-N 2.91Å; K629-L632 VanDerWaalsContact O-N 3.11Å; L632-T634 VanDerWaalsContact C-N 3.29Å; L632-T634 PolarHBondContact O-N 3.07Å; L632-A635 PolarHBondContact O-N 3.35Å; L632-I636 HydrophobicContact CD1-CD1 4.03Å; L632-I636 HydrophobicContact CD1-CG1 4.3Å; L632-I636 HydrophobicContact CG-CD1 3.91Å; L632-I636 VanDerWaalsContact O-CG1 3.28Å; L632-I636 WeakPolarHBondContact O-CG1 3.36Å; L632-I636 PolarHBondContact O-N 3.08Å |
| 633 | D | 82.1 | Confident | 80.7 | Confident | 90 Ų | 90 | 93.9 Ų | 93.9 | 48% | 0.481 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.4 | -37.6 | 176.5 | -84.5 | -18.2 | 0 | 0 | 0 | 111.6 | K629 I636 R637 | K629-D633 PolarHBondContact O-N 3.49Å; D633-I636 PolarHBondContact O-N 3.3Å; D633-R637 WeakPolarHBondContact O-CG 3.36Å; D633-R637 PolarHBondContact O-N 2.94Å; D633-R637 VanDerWaalsContact O-N 3.07Å |
| 634 | T | 81.1 | Confident | 80.6 | Confident | 84 Ų | 84 | 93.5 Ų | 93.5 | 52% | 0.515 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.3 | -45.8 | 174.3 | -57.2 | 0 | 0 | 0 | 0 | 110.9 | S630 A631 L632 I636 R637 V638 | S630-T634 WeakPolarHBondContact O-CB 3.41Å; S630-T634 PolarHBondContact O-N 3.45Å; S630-T634 PolarHBondContact O-OG1 3.03Å; A631-T634 PolarHBondContact O-N 2.98Å; L632-T634 VanDerWaalsContact C-N 3.29Å; L632-T634 PolarHBondContact O-N 3.07Å; T634-I636 VanDerWaalsContact C-N 3.34Å; T634-I636 PolarHBondContact O-N 3.49Å; T634-R637 PolarHBondContact O-N 2.84Å; T634-V638 WeakPolarHBondContact O-CG2 3.48Å; T634-V638 PolarHBondContact O-N 3.47Å |
| 635 | A | 79.1 | Confident | 80.7 | Confident | 57 Ų | 57 | 92 Ų | 92 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.2 | -38.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A631 L632 R637 V638 R639 | A631-A635 WeakPolarHBondContact O-CB 3.5Å; A631-A635 PolarHBondContact O-N 3.45Å; L632-A635 PolarHBondContact O-N 3.35Å; A635-R637 VanDerWaalsContact C-N 3.35Å; A635-R637 PolarHBondContact O-N 2.95Å; A635-V638 PolarHBondContact O-N 3.02Å; A635-R639 WeakPolarHBondContact O-CB 3.29Å; A635-R639 PolarHBondContact O-N 3.4Å |
| 636 | I | 78.1 | Confident | 80.8 | Confident | 58 Ų | 58 | 92.7 Ų | 92.7 | 30% | 0.297 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.3 | -37.8 | 175.3 | -71.5 | 165.7 | 0 | 0 | 0 | 111.4 | L632 D633 T634 K640 | L632-I636 HydrophobicContact CD1-CD1 4.03Å; L632-I636 HydrophobicContact CD1-CG1 4.3Å; L632-I636 HydrophobicContact CG-CD1 3.91Å; L632-I636 VanDerWaalsContact O-CG1 3.28Å; L632-I636 WeakPolarHBondContact O-CG1 3.36Å; L632-I636 PolarHBondContact O-N 3.08Å; D633-I636 PolarHBondContact O-N 3.3Å; T634-I636 VanDerWaalsContact C-N 3.34Å; T634-I636 PolarHBondContact O-N 3.49Å; I636-K640 HydrophobicContact CG2-CD 4.41Å; I636-K640 WeakPolarHBondContact O-CB 3.48Å; I636-K640 WeakPolarHBondContact O-CG 3.35Å; I636-K640 PolarHBondContact O-N 3.31Å |
| 637 | R | 81.2 | Confident | 80.8 | Confident | 187 Ų | 187 | 95 Ų | 95 | 71% | 0.706 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.5 | -47.4 | 174.4 | -68.9 | 172.9 | -161.2 | -154.8 | 6 | 111.7 | D633 T634 A635 R639 K640 Q641 | D633-R637 WeakPolarHBondContact O-CG 3.36Å; D633-R637 PolarHBondContact O-N 2.94Å; D633-R637 VanDerWaalsContact O-N 3.07Å; T634-R637 PolarHBondContact O-N 2.84Å; A635-R637 VanDerWaalsContact C-N 3.35Å; A635-R637 PolarHBondContact O-N 2.95Å; R637-R639 VanDerWaalsContact C-N 3.33Å; R637-R639 PolarHBondContact O-N 3.41Å; R637-K640 PolarHBondContact O-N 2.83Å; R637-Q641 PolarHBondContact O-N 3.49Å |
| 638 | V | 82.3 | Confident | 80.9 | Confident | 98 Ų | 98 | 95.2 Ų | 95.2 | 59% | 0.594 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.8 | -42.2 | 177.7 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | T634 A635 K640 Q641 A642 | T634-V638 WeakPolarHBondContact O-CG2 3.48Å; T634-V638 PolarHBondContact O-N 3.47Å; A635-V638 PolarHBondContact O-N 3.02Å; V638-K640 PolarHBondContact O-N 3.43Å; V638-Q641 PolarHBondContact O-N 2.97Å; V638-A642 PolarHBondContact O-N 3.12Å |
| 639 | R | 84.3 | Confident | 81 | Confident | 137 Ų | 137 | 93.2 Ų | 93.2 | 52% | 0.517 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 175.9 | -157.8 | -159.7 | 81.4 | -156.9 | 3.8 | 111.9 | A635 R637 Q641 A642 E643 | A635-R639 WeakPolarHBondContact O-CB 3.29Å; A635-R639 PolarHBondContact O-N 3.4Å; R637-R639 VanDerWaalsContact C-N 3.33Å; R637-R639 PolarHBondContact O-N 3.41Å; R639-Q641 VanDerWaalsContact C-N 3.35Å; R639-Q641 PolarHBondContact O-N 2.87Å; R639-A642 PolarHBondContact O-N 2.84Å; R639-E643 IonicContact CZ-OE1 2.91Å; R639-E643 IonicContact CZ-OE2 2.95Å; R639-E643 IonicContact NE-OE1 3.15Å; R639-E643 PolarHBondContact NE-OE1 2.79Å; R639-E643 IonicContact NE-OE2 2.61Å; R639-E643 IonicContact NH2-OE1 2.66Å; R639-E643 PolarHBondContact NH2-OE1 3.33Å; R639-E643 IonicContact NH2-OE2 2.84Å; R639-E643 PolarHBondContact NH2-OE2 2.94Å; R639-E643 VanDerWaalsContact O-CG 3.28Å; R639-E643 WeakPolarHBondContact O-CG 3.26Å; R639-E643 PolarHBondContact O-N 2.61Å |
| 640 | K | 82.7 | Confident | 80.9 | Confident | 128 Ų | 128 | 92.1 Ų | 92.1 | 56% | 0.557 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.7 | -33.2 | 176.5 | -79.2 | -179.2 | 173.6 | -171.6 | 0 | 113.8 | I636 R637 V638 E643 A644 | I636-K640 HydrophobicContact CG2-CD 4.41Å; I636-K640 WeakPolarHBondContact O-CB 3.48Å; I636-K640 WeakPolarHBondContact O-CG 3.35Å; I636-K640 PolarHBondContact O-N 3.31Å; R637-K640 PolarHBondContact O-N 2.83Å; V638-K640 PolarHBondContact O-N 3.43Å; K640-E643 WeakPolarHBondContact CA-OE2 3.5Å; K640-A644 PolarHBondContact O-N 3.49Å; K640-A644 VanDerWaalsContact O-N 3.12Å |
| 641 | Q | 81.4 | Confident | 80.9 | Confident | 113 Ų | 113 | 90.6 Ų | 90.6 | 53% | 0.528 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.8 | -47.8 | 172.4 | -171.3 | 61.1 | 52.2 | 0 | 0 | 110.2 | R637 V638 R639 E643 A644 D645 | R637-Q641 PolarHBondContact O-N 3.49Å; V638-Q641 PolarHBondContact O-N 2.97Å; R639-Q641 VanDerWaalsContact C-N 3.35Å; R639-Q641 PolarHBondContact O-N 2.87Å; Q641-E643 VanDerWaalsContact C-N 3.29Å; Q641-E643 PolarHBondContact O-N 3.17Å; Q641-A644 PolarHBondContact O-N 2.95Å; Q641-D645 PolarHBondContact NE2-OD1 3.18Å; Q641-D645 PolarHBondContact O-N 2.96Å |
| 642 | A | 78.6 | Confident | 81.1 | Confident | 55 Ų | 55 | 92.8 Ų | 92.8 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.1 | -33.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V638 R639 L646 | V638-A642 PolarHBondContact O-N 3.12Å; R639-A642 PolarHBondContact O-N 2.84Å; A642-L646 WeakPolarHBondContact O-CB 3.43Å; A642-L646 PolarHBondContact O-N 3.11Å |
| 643 | E | 78.9 | Confident | 81.2 | Confident | 82 Ų | 82 | 92.6 Ų | 92.6 | 38% | 0.383 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 170.5 | -75.1 | 165.5 | 170 | 0 | 0 | 111.4 | R639 K640 Q641 L646 E647 | R639-E643 IonicContact CZ-OE1 2.91Å; R639-E643 IonicContact CZ-OE2 2.95Å; R639-E643 IonicContact NE-OE1 3.15Å; R639-E643 PolarHBondContact NE-OE1 2.79Å; R639-E643 IonicContact NE-OE2 2.61Å; R639-E643 IonicContact NH2-OE1 2.66Å; R639-E643 PolarHBondContact NH2-OE1 3.33Å; R639-E643 IonicContact NH2-OE2 2.84Å; R639-E643 PolarHBondContact NH2-OE2 2.94Å; R639-E643 VanDerWaalsContact O-CG 3.28Å; R639-E643 WeakPolarHBondContact O-CG 3.26Å; R639-E643 PolarHBondContact O-N 2.61Å; K640-E643 WeakPolarHBondContact CA-OE2 3.5Å; Q641-E643 VanDerWaalsContact C-N 3.29Å; Q641-E643 PolarHBondContact O-N 3.17Å; E643-L646 PolarHBondContact O-N 3.26Å; E643-E647 PolarHBondContact O-N 2.58Å |
| 644 | A | 79.9 | Confident | 81.2 | Confident | 46 Ų | 46 | 91 Ų | 91 | 38% | 0.38 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.6 | -41.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K640 Q641 L646 E647 E648 | K640-A644 PolarHBondContact O-N 3.49Å; K640-A644 VanDerWaalsContact O-N 3.12Å; Q641-A644 PolarHBondContact O-N 2.95Å; A644-L646 VanDerWaalsContact C-N 3.25Å; A644-L646 PolarHBondContact O-N 3.43Å; A644-E647 PolarHBondContact O-N 3.44Å; A644-E648 PolarHBondContact O-N 2.88Å |
| 645 | D | 83.4 | Confident | 81.3 | Confident | 82 Ų | 82 | 92.7 Ų | 92.7 | 44% | 0.439 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -36.7 | 176.3 | -60.1 | -19.1 | 0 | 0 | 0 | 110.7 | Q641 A649 | Q641-D645 PolarHBondContact NE2-OD1 3.18Å; Q641-D645 PolarHBondContact O-N 2.96Å; D645-A649 VanDerWaalsContact O-CB 3.3Å; D645-A649 WeakPolarHBondContact O-CB 3.44Å; D645-A649 PolarHBondContact O-N 3.33Å |
| 646 | L | 79.6 | Confident | 81.5 | Confident | 114 Ų | 114 | 95.1 Ų | 95.1 | 60% | 0.597 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -70 | -39.4 | 174.9 | -179 | 65 | 0 | 0 | 0 | 112.5 | A642 E643 A644 S650 | A642-L646 WeakPolarHBondContact O-CB 3.43Å; A642-L646 PolarHBondContact O-N 3.11Å; E643-L646 PolarHBondContact O-N 3.26Å; A644-L646 VanDerWaalsContact C-N 3.25Å; A644-L646 PolarHBondContact O-N 3.43Å; L646-S650 VanDerWaalsContact O-CB 3.27Å; L646-S650 WeakPolarHBondContact O-CB 3.49Å; L646-S650 PolarHBondContact O-N 3.07Å; L646-S650 PolarHBondContact O-OG 3.07Å |
| 647 | E | 82 | Confident | 81.7 | Confident | 154 Ų | 154 | 96.9 Ų | 96.9 | 72% | 0.72 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.5 | -43.3 | 172.2 | -75.8 | -174.7 | 175.2 | 0 | 0 | 111.5 | E643 A644 S650 G651 | E643-E647 PolarHBondContact O-N 2.58Å; A644-E647 PolarHBondContact O-N 3.44Å; E647-S650 PolarHBondContact O-N 2.84Å; E647-G651 PolarHBondContact O-N 3.48Å |
| 648 | E | 81.4 | Confident | 81.7 | Confident | 115 Ų | 115 | 91 Ų | 91 | 54% | 0.537 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66 | -40.6 | 177.1 | -157.3 | -163 | 156.6 | 0 | 0 | 111.9 | A644 G651 K652 | A644-E648 PolarHBondContact O-N 2.88Å; E648-G651 PolarHBondContact O-N 3.1Å; E648-K652 WeakPolarHBondContact O-CG 3.38Å; E648-K652 PolarHBondContact O-N 3.4Å; E648-K652 WeakPolarHBondContact OE1-CE 3.37Å; E648-K652 IonicContact OE1-NZ 2.65Å; E648-K652 PolarHBondContact OE1-NZ 3.35Å; E648-K652 IonicContact OE2-NZ 3.71Å |
| 649 | A | 81.4 | Confident | 81.8 | Confident | 41 Ų | 41 | 91 Ų | 91 | 34% | 0.339 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | D645 K652 I653 | D645-A649 VanDerWaalsContact O-CB 3.3Å; D645-A649 WeakPolarHBondContact O-CB 3.44Å; D645-A649 PolarHBondContact O-N 3.33Å; A649-K652 PolarHBondContact O-N 3.07Å; A649-I653 VanDerWaalsContact O-CG1 3.28Å; A649-I653 WeakPolarHBondContact O-CG1 3.33Å; A649-I653 PolarHBondContact O-N 2.94Å |
| 650 | S | 80.8 | Confident | 81.7 | Confident | 63 Ų | 63 | 89.2 Ų | 89.2 | 44% | 0.441 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 177.6 | -60.8 | 0 | 0 | 0 | 0 | 112 | L646 E647 I653 A654 | L646-S650 VanDerWaalsContact O-CB 3.27Å; L646-S650 WeakPolarHBondContact O-CB 3.49Å; L646-S650 PolarHBondContact O-N 3.07Å; L646-S650 PolarHBondContact O-OG 3.07Å; E647-S650 PolarHBondContact O-N 2.84Å; S650-I653 PolarHBondContact O-N 2.67Å; S650-A654 PolarHBondContact O-N 3.37Å |
| 651 | G | 81.6 | Confident | 81.8 | Confident | 34 Ų | 34 | 88 Ų | 88 | 35% | 0.351 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.3 | -49.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E647 E648 I653 A654 D655 | E647-G651 PolarHBondContact O-N 3.48Å; E648-G651 PolarHBondContact O-N 3.1Å; G651-I653 VanDerWaalsContact C-N 3.29Å; G651-I653 PolarHBondContact O-N 3.25Å; G651-A654 WeakPolarHBondContact O-CB 3.42Å; G651-A654 PolarHBondContact O-N 3.02Å; G651-A654 VanDerWaalsContact O-N 3.11Å; G651-D655 PolarHBondContact O-N 2.92Å |
| 652 | K | 85.3 | Confident | 81.9 | Confident | 108 Ų | 108 | 87 Ų | 87 | 47% | 0.47 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.8 | -38.1 | 175.8 | -71.1 | 164.5 | -175.2 | 164.3 | 0 | 112.5 | E648 A649 L656 | E648-K652 WeakPolarHBondContact O-CG 3.38Å; E648-K652 PolarHBondContact O-N 3.4Å; E648-K652 WeakPolarHBondContact OE1-CE 3.37Å; E648-K652 IonicContact OE1-NZ 2.65Å; E648-K652 PolarHBondContact OE1-NZ 3.35Å; E648-K652 IonicContact OE2-NZ 3.71Å; A649-K652 PolarHBondContact O-N 3.07Å; K652-L656 WeakPolarHBondContact O-CB 3.09Å; K652-L656 WeakPolarHBondContact O-CG 3.47Å; K652-L656 PolarHBondContact O-N 3.49Å |
| 653 | I | 80.4 | Confident | 82.2 | Confident | 99 Ų | 99 | 89 Ų | 89 | 51% | 0.508 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 175.4 | -71.7 | 164.6 | 0 | 0 | 0 | 110.9 | A649 S650 G651 L656 I657 | A649-I653 VanDerWaalsContact O-CG1 3.28Å; A649-I653 WeakPolarHBondContact O-CG1 3.33Å; A649-I653 PolarHBondContact O-N 2.94Å; S650-I653 PolarHBondContact O-N 2.67Å; G651-I653 VanDerWaalsContact C-N 3.29Å; G651-I653 PolarHBondContact O-N 3.25Å; I653-L656 PolarHBondContact O-N 2.85Å; I653-I657 HydrophobicContact CG2-CD1 3.75Å; I653-I657 HydrophobicContact CG2-CG1 4.44Å; I653-I657 WeakPolarHBondContact O-CB 3.23Å; I653-I657 VanDerWaalsContact O-CG1 3.26Å; I653-I657 WeakPolarHBondContact O-CG1 3.48Å; I653-I657 PolarHBondContact O-N 3.28Å |
| 654 | A | 81 | Confident | 82.5 | Confident | 57 Ų | 57 | 89 Ų | 89 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S650 G651 I657 S658 | S650-A654 PolarHBondContact O-N 3.37Å; G651-A654 WeakPolarHBondContact O-CB 3.42Å; G651-A654 PolarHBondContact O-N 3.02Å; G651-A654 VanDerWaalsContact O-N 3.11Å; A654-I657 PolarHBondContact O-N 3.03Å; A654-S658 WeakPolarHBondContact O-CB 3.41Å; A654-S658 PolarHBondContact O-N 2.98Å |
| 655 | D | 84.8 | Confident | 82.6 | Confident | 118 Ų | 118 | 90 Ų | 90 | 63% | 0.631 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.5 | -43.2 | 174.6 | -76.5 | -24.5 | 0 | 0 | 0 | 111.8 | G651 S658 L659 | G651-D655 PolarHBondContact O-N 2.92Å; D655-S658 WeakPolarHBondContact O-CB 3.33Å; D655-S658 PolarHBondContact O-N 3.3Å; D655-L659 WeakPolarHBondContact O-CB 3.48Å; D655-L659 PolarHBondContact O-N 3.29Å |
| 656 | L | 83.4 | Confident | 82.7 | Confident | 109 Ų | 109 | 90.5 Ų | 90.5 | 57% | 0.571 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.1 | -37.2 | 176.6 | -75.1 | 169.8 | 0 | 0 | 0 | 112.6 | K652 I653 L659 N660 | K652-L656 WeakPolarHBondContact O-CB 3.09Å; K652-L656 WeakPolarHBondContact O-CG 3.47Å; K652-L656 PolarHBondContact O-N 3.49Å; I653-L656 PolarHBondContact O-N 2.85Å; L656-L659 PolarHBondContact O-N 3.44Å; L656-N660 WeakPolarHBondContact O-CB 3.49Å; L656-N660 PolarHBondContact O-N 3.42Å |
| 657 | I | 81.3 | Confident | 83.1 | Confident | 95 Ų | 95 | 90.4 Ų | 90.4 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65 | -44.4 | 173.3 | -71.3 | 165.7 | 0 | 0 | 0 | 110.3 | I653 A654 N660 N661 | I653-I657 HydrophobicContact CG2-CD1 3.75Å; I653-I657 HydrophobicContact CG2-CG1 4.44Å; I653-I657 WeakPolarHBondContact O-CB 3.23Å; I653-I657 VanDerWaalsContact O-CG1 3.26Å; I653-I657 WeakPolarHBondContact O-CG1 3.48Å; I653-I657 PolarHBondContact O-N 3.28Å; A654-I657 PolarHBondContact O-N 3.03Å; I657-N660 PolarHBondContact O-N 3.04Å; I657-N661 WeakPolarHBondContact O-CB 3.48Å; I657-N661 VanDerWaalsContact O-CG 3.25Å; I657-N661 PolarHBondContact O-N 2.89Å; I657-N661 PolarHBondContact O-ND2 2.93Å |
| 658 | S | 81.6 | Confident | 83.2 | Confident | 64 Ų | 64 | 84.5 Ų | 84.5 | 45% | 0.448 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.6 | -48 | 174.9 | -174.4 | 0 | 0 | 0 | 0 | 111.6 | A654 D655 N660 N661 N662 | A654-S658 WeakPolarHBondContact O-CB 3.41Å; A654-S658 PolarHBondContact O-N 2.98Å; D655-S658 WeakPolarHBondContact O-CB 3.33Å; D655-S658 PolarHBondContact O-N 3.3Å; S658-N660 PolarHBondContact O-N 3.42Å; S658-N661 PolarHBondContact O-N 3.23Å; S658-N662 PolarHBondContact O-N 2.93Å; S658-N662 PolarHBondContact O-ND2 2.97Å |
| 659 | L | 85.3 | Confident | 83.4 | Confident | 97 Ų | 97 | 85.3 Ų | 85.3 | 51% | 0.508 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 176.1 | -170.9 | 76.7 | 0 | 0 | 0 | 111.7 | D655 L656 N662 L663 | D655-L659 WeakPolarHBondContact O-CB 3.48Å; D655-L659 PolarHBondContact O-N 3.29Å; L656-L659 PolarHBondContact O-N 3.44Å; L659-N662 PolarHBondContact O-N 2.69Å; L659-L663 HydrophobicContact CD2-CD1 4.36Å; L659-L663 HydrophobicContact CG-CD1 4.04Å; L659-L663 HydrophobicContact CG-CG 4.49Å; L659-L663 WeakPolarHBondContact O-CB 3.42Å; L659-L663 WeakPolarHBondContact O-CG 3.46Å; L659-L663 PolarHBondContact O-N 3.44Å |
| 660 | N | 82 | Confident | 83.6 | Confident | 99 Ų | 99 | 88.4 Ų | 88.4 | 53% | 0.529 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68 | -37.7 | -178.1 | -166.6 | 13 | 0 | 0 | 0 | 112.3 | L656 I657 S658 L663 T664 | L656-N660 WeakPolarHBondContact O-CB 3.49Å; L656-N660 PolarHBondContact O-N 3.42Å; I657-N660 PolarHBondContact O-N 3.04Å; S658-N660 PolarHBondContact O-N 3.42Å; N660-L663 PolarHBondContact O-N 2.99Å; N660-T664 VanDerWaalsContact O-CB 3.3Å; N660-T664 WeakPolarHBondContact O-CB 3.46Å; N660-T664 PolarHBondContact O-N 3.05Å; N660-T664 PolarHBondContact O-OG1 3.15Å |
| 661 | N | 83.7 | Confident | 83.9 | Confident | 103 Ų | 103 | 90.2 Ų | 90.2 | 55% | 0.551 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.3 | -42.5 | 172 | -73.1 | -27 | 0 | 0 | 0 | 111.6 | I657 S658 T664 S665 | I657-N661 WeakPolarHBondContact O-CB 3.48Å; I657-N661 VanDerWaalsContact O-CG 3.25Å; I657-N661 PolarHBondContact O-N 2.89Å; I657-N661 PolarHBondContact O-ND2 2.93Å; S658-N661 PolarHBondContact O-N 3.23Å; N661-T664 PolarHBondContact O-N 3.13Å; N661-S665 WeakPolarHBondContact O-CB 3.21Å; N661-S665 PolarHBondContact O-N 2.88Å |
| 662 | N | 84.4 | Confident | 83.9 | Confident | 92 Ų | 92 | 92.7 Ų | 92.7 | 49% | 0.492 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.1 | -44.4 | 175.1 | -74.3 | -45.2 | 0 | 0 | 0 | 112.1 | S658 L659 T664 S665 I666 | S658-N662 PolarHBondContact O-N 2.93Å; S658-N662 PolarHBondContact O-ND2 2.97Å; L659-N662 PolarHBondContact O-N 2.69Å; N662-T664 VanDerWaalsContact C-N 3.34Å; N662-T664 PolarHBondContact O-N 3.36Å; N662-S665 WeakPolarHBondContact O-CB 3.33Å; N662-S665 PolarHBondContact O-N 3.35Å; N662-I666 VanDerWaalsContact O-CG1 3.31Å; N662-I666 WeakPolarHBondContact O-CG1 3.5Å; N662-I666 PolarHBondContact O-N 3.06Å |
| 663 | L | 83.3 | Confident | 84 | Confident | 97 Ų | 97 | 91.7 Ų | 91.7 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 175 | -73.6 | 170.9 | 0 | 0 | 0 | 112 | L659 N660 I666 K667 | L659-L663 HydrophobicContact CD2-CD1 4.36Å; L659-L663 HydrophobicContact CG-CD1 4.04Å; L659-L663 HydrophobicContact CG-CG 4.49Å; L659-L663 WeakPolarHBondContact O-CB 3.42Å; L659-L663 WeakPolarHBondContact O-CG 3.46Å; L659-L663 PolarHBondContact O-N 3.44Å; N660-L663 PolarHBondContact O-N 2.99Å; L663-I666 PolarHBondContact O-N 3.24Å; L663-K667 VanDerWaalsContact O-CB 3.27Å; L663-K667 WeakPolarHBondContact O-CB 3.27Å; L663-K667 PolarHBondContact O-N 3.47Å |
| 664 | T | 85.8 | Confident | 84.2 | Confident | 82 Ų | 82 | 91.7 Ų | 91.7 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.9 | -39.9 | 175.3 | -60.1 | 0 | 0 | 0 | 0 | 111.5 | N660 N661 N662 K667 G668 | N660-T664 VanDerWaalsContact O-CB 3.3Å; N660-T664 WeakPolarHBondContact O-CB 3.46Å; N660-T664 PolarHBondContact O-N 3.05Å; N660-T664 PolarHBondContact O-OG1 3.15Å; N661-T664 PolarHBondContact O-N 3.13Å; N662-T664 VanDerWaalsContact C-N 3.34Å; N662-T664 PolarHBondContact O-N 3.36Å; T664-K667 PolarHBondContact O-N 2.91Å; T664-G668 PolarHBondContact O-N 3.2Å |
| 665 | S | 83.2 | Confident | 84.4 | Confident | 67 Ų | 67 | 92.4 Ų | 92.4 | 47% | 0.469 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 174.2 | -175.5 | 0 | 0 | 0 | 0 | 112.3 | N661 N662 K669 | N661-S665 WeakPolarHBondContact O-CB 3.21Å; N661-S665 PolarHBondContact O-N 2.88Å; N662-S665 WeakPolarHBondContact O-CB 3.33Å; N662-S665 PolarHBondContact O-N 3.35Å; S665-K669 WeakPolarHBondContact O-CG 3.46Å; S665-K669 PolarHBondContact O-N 2.94Å |
| 666 | I | 85.4 | Confident | 84.3 | Confident | 92 Ų | 92 | 90.2 Ų | 90.2 | 47% | 0.472 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.4 | -43.7 | 174 | -68 | 164.1 | 0 | 0 | 0 | 110.7 | N662 L663 K669 L670 | N662-I666 VanDerWaalsContact O-CG1 3.31Å; N662-I666 WeakPolarHBondContact O-CG1 3.5Å; N662-I666 PolarHBondContact O-N 3.06Å; L663-I666 PolarHBondContact O-N 3.24Å; I666-K669 WeakPolarHBondContact O-CB 3.35Å; I666-K669 PolarHBondContact O-N 3.27Å; I666-L670 HydrophobicContact CG2-CD1 3.92Å; I666-L670 HydrophobicContact CG2-CG 4.38Å; I666-L670 WeakPolarHBondContact O-CG 3.4Å; I666-L670 PolarHBondContact O-N 2.96Å |
| 667 | K | 86.7 | Confident | 84.3 | Confident | 113 Ų | 113 | 88.7 Ų | 88.7 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.8 | -49.4 | 175.7 | -175.1 | -172 | 174.6 | -91.9 | 0 | 111.3 | L663 T664 K669 L670 E671 | L663-K667 VanDerWaalsContact O-CB 3.27Å; L663-K667 WeakPolarHBondContact O-CB 3.27Å; L663-K667 PolarHBondContact O-N 3.47Å; T664-K667 PolarHBondContact O-N 2.91Å; K667-K669 VanDerWaalsContact C-N 3.27Å; K667-K669 PolarHBondContact O-N 3.24Å; K667-L670 CarbonylContact O-C 3.51Å; K667-L670 PolarHBondContact O-N 3.44Å; K667-L670 VanDerWaalsContact O-N 3.12Å; K667-E671 WeakPolarHBondContact CE-OE1 3.49Å; K667-E671 HydrophobicContact CG-CG 4.33Å; K667-E671 IonicContact NZ-OE1 2.93Å; K667-E671 PolarHBondContact NZ-OE1 3.09Å; K667-E671 IonicContact NZ-OE2 3.98Å; K667-E671 PolarHBondContact NZ-OE2 2.99Å; K667-E671 WeakPolarHBondContact O-CG 3.46Å; K667-E671 PolarHBondContact O-N 3.31Å |
| 668 | G | 84.4 | Confident | 84.4 | Confident | 30 Ų | 30 | 89.3 Ų | 89.3 | 31% | 0.309 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.1 | -34.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T664 T672 | T664-G668 PolarHBondContact O-N 3.2Å; G668-T672 PolarHBondContact O-N 3.33Å; G668-T672 VanDerWaalsContact O-N 3.15Å; G668-T672 PolarHBondContact O-OG1 3Å |
| 669 | K | 86.4 | Confident | 84.6 | Confident | 131 Ų | 131 | 89 Ų | 89 | 57% | 0.57 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.9 | -53.4 | 169.7 | -70.5 | 178.2 | -178.3 | -176.4 | 0 | 111.4 | S665 I666 K667 E671 T672 D673 | S665-K669 WeakPolarHBondContact O-CG 3.46Å; S665-K669 PolarHBondContact O-N 2.94Å; I666-K669 WeakPolarHBondContact O-CB 3.35Å; I666-K669 PolarHBondContact O-N 3.27Å; K667-K669 VanDerWaalsContact C-N 3.27Å; K667-K669 PolarHBondContact O-N 3.24Å; K669-E671 VanDerWaalsContact C-N 3.26Å; K669-E671 PolarHBondContact O-N 3.1Å; K669-T672 CarbonylContact O-C 3.59Å; K669-T672 WeakPolarHBondContact O-CA 3.4Å; K669-T672 WeakPolarHBondContact O-CB 3.5Å; K669-T672 PolarHBondContact O-N 3.3Å; K669-D673 PolarHBondContact O-N 2.86Å |
| 670 | L | 84.7 | Confident | 84.6 | Confident | 107 Ų | 107 | 88.4 Ų | 88.4 | 56% | 0.56 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.2 | -32.4 | 179.8 | -68.7 | 173.3 | 0 | 0 | 0 | 113.3 | I666 K667 L674 | I666-L670 HydrophobicContact CG2-CD1 3.92Å; I666-L670 HydrophobicContact CG2-CG 4.38Å; I666-L670 WeakPolarHBondContact O-CG 3.4Å; I666-L670 PolarHBondContact O-N 2.96Å; K667-L670 CarbonylContact O-C 3.51Å; K667-L670 PolarHBondContact O-N 3.44Å; K667-L670 VanDerWaalsContact O-N 3.12Å; L670-L674 WeakPolarHBondContact O-CB 3.48Å; L670-L674 PolarHBondContact O-N 3.37Å |
| 671 | E | 86.5 | Confident | 84.8 | Confident | 100 Ų | 100 | 89 Ų | 89 | 47% | 0.467 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.7 | -35.3 | 172.5 | -72.6 | 177.2 | 132.5 | 0 | 0 | 112 | K667 K669 S675 | K667-E671 WeakPolarHBondContact CE-OE1 3.49Å; K667-E671 HydrophobicContact CG-CG 4.33Å; K667-E671 IonicContact NZ-OE1 2.93Å; K667-E671 PolarHBondContact NZ-OE1 3.09Å; K667-E671 IonicContact NZ-OE2 3.98Å; K667-E671 PolarHBondContact NZ-OE2 2.99Å; K667-E671 WeakPolarHBondContact O-CG 3.46Å; K667-E671 PolarHBondContact O-N 3.31Å; K669-E671 VanDerWaalsContact C-N 3.26Å; K669-E671 PolarHBondContact O-N 3.1Å; E671-S675 WeakPolarHBondContact O-CB 3.42Å; E671-S675 PolarHBondContact O-N 3.05Å |
| 672 | T | 83 | Confident | 84.8 | Confident | 87 Ų | 87 | 88.4 Ų | 88.4 | 53% | 0.534 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71.5 | -45 | 174.5 | -52 | 0 | 0 | 0 | 0 | 111.3 | G668 K669 S675 T676 | G668-T672 PolarHBondContact O-N 3.33Å; G668-T672 VanDerWaalsContact O-N 3.15Å; G668-T672 PolarHBondContact O-OG1 3Å; K669-T672 CarbonylContact O-C 3.59Å; K669-T672 WeakPolarHBondContact O-CA 3.4Å; K669-T672 WeakPolarHBondContact O-CB 3.5Å; K669-T672 PolarHBondContact O-N 3.3Å; T672-S675 PolarHBondContact O-N 3Å; T672-T676 PolarHBondContact O-N 3.09Å; T672-T676 PolarHBondContact O-OG1 3.35Å |
| 673 | D | 87.2 | Confident | 84.8 | Confident | 87 Ų | 87 | 90.1 Ų | 90.1 | 47% | 0.465 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 176.6 | -60.3 | -28.8 | 0 | 0 | 0 | 110.1 | K669 T676 C677 | K669-D673 PolarHBondContact O-N 2.86Å; D673-T676 WeakPolarHBondContact O-CB 3.33Å; D673-T676 PolarHBondContact O-N 3.45Å; D673-T676 VanDerWaalsContact O-N 3.17Å; D673-C677 WeakPolarHBondContact O-CB 3.49Å; D673-C677 PolarHBondContact O-N 3.11Å; D673-C677 PolarHBondContact O-SG 3.05Å; D673-C677 VanDerWaalsContact O-SG 3.37Å |
| 674 | L | 83.6 | Confident | 84.8 | Confident | 98 Ų | 98 | 89.1 Ų | 89.1 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.5 | -44 | 174.3 | 179.3 | 63.8 | 0 | 0 | 0 | 111.9 | L670 T676 C677 Q678 | L670-L674 WeakPolarHBondContact O-CB 3.48Å; L670-L674 PolarHBondContact O-N 3.37Å; L674-T676 PolarHBondContact O-N 2.97Å; L674-C677 PolarHBondContact O-N 3.38Å; L674-Q678 HydrophobicContact CD1-CG 4.33Å; L674-Q678 HydrophobicContact CG-CG 4.49Å; L674-Q678 VanDerWaalsContact O-CB 3.3Å; L674-Q678 WeakPolarHBondContact O-CB 3.48Å; L674-Q678 VanDerWaalsContact O-CG 3.24Å; L674-Q678 WeakPolarHBondContact O-CG 3.24Å; L674-Q678 PolarHBondContact O-N 2.92Å |
| 675 | S | 86.4 | Confident | 84.8 | Confident | 72 Ų | 72 | 87.2 Ų | 87.2 | 50% | 0.503 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64 | -29.2 | 175.9 | -174.2 | 0 | 0 | 0 | 0 | 112.6 | E671 T672 A679 | E671-S675 WeakPolarHBondContact O-CB 3.42Å; E671-S675 PolarHBondContact O-N 3.05Å; T672-S675 PolarHBondContact O-N 3Å; S675-A679 PolarHBondContact O-N 3.38Å |
| 676 | T | 82.2 | Confident | 84.9 | Confident | 72 Ų | 72 | 89.4 Ų | 89.4 | 44% | 0.442 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -74.9 | -52.9 | 176.1 | -52 | 0 | 0 | 0 | 0 | 109.9 | T672 D673 L674 Q678 A679 D680 | T672-T676 PolarHBondContact O-N 3.09Å; T672-T676 PolarHBondContact O-OG1 3.35Å; D673-T676 WeakPolarHBondContact O-CB 3.33Å; D673-T676 PolarHBondContact O-N 3.45Å; D673-T676 VanDerWaalsContact O-N 3.17Å; L674-T676 PolarHBondContact O-N 2.97Å; T676-Q678 PolarHBondContact O-N 3.16Å; T676-A679 WeakPolarHBondContact O-CA 3.41Å; T676-A679 WeakPolarHBondContact O-CB 3.48Å; T676-A679 PolarHBondContact O-N 2.91Å; T676-D680 PolarHBondContact O-N 3.01Å |
| 677 | C | 82.8 | Confident | 84.9 | Confident | 77 Ų | 77 | 91.1 Ų | 91.1 | 52% | 0.52 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.6 | -30.2 | 174.8 | -68 | 0 | 0 | 0 | 0 | 113 | D673 L674 L681 | D673-C677 WeakPolarHBondContact O-CB 3.49Å; D673-C677 PolarHBondContact O-N 3.11Å; D673-C677 PolarHBondContact O-SG 3.05Å; D673-C677 VanDerWaalsContact O-SG 3.37Å; L674-C677 PolarHBondContact O-N 3.38Å; C677-L681 VanDerWaalsContact O-CB 3.25Å; C677-L681 WeakPolarHBondContact O-CB 3.4Å; C677-L681 PolarHBondContact O-N 3.1Å |
| 678 | Q | 84.7 | Confident | 84.8 | Confident | 109 Ų | 109 | 90.5 Ų | 90.5 | 51% | 0.509 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.2 | -42.4 | 171.7 | -80.4 | 175.4 | -8.3 | 0 | 0 | 111.8 | L674 T676 L681 D682 | L674-Q678 HydrophobicContact CD1-CG 4.33Å; L674-Q678 HydrophobicContact CG-CG 4.49Å; L674-Q678 VanDerWaalsContact O-CB 3.3Å; L674-Q678 WeakPolarHBondContact O-CB 3.48Å; L674-Q678 VanDerWaalsContact O-CG 3.24Å; L674-Q678 WeakPolarHBondContact O-CG 3.24Å; L674-Q678 PolarHBondContact O-N 2.92Å; T676-Q678 PolarHBondContact O-N 3.16Å; Q678-L681 PolarHBondContact O-N 3.41Å; Q678-D682 VanDerWaalsContact O-CB 3.28Å; Q678-D682 WeakPolarHBondContact O-CB 3.32Å; Q678-D682 PolarHBondContact O-N 3.14Å |
| 679 | A | 84.5 | Confident | 84.9 | Confident | 56 Ų | 56 | 96.6 Ų | 96.6 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S675 T676 L681 D682 E683 | S675-A679 PolarHBondContact O-N 3.38Å; T676-A679 WeakPolarHBondContact O-CA 3.41Å; T676-A679 WeakPolarHBondContact O-CB 3.48Å; T676-A679 PolarHBondContact O-N 2.91Å; A679-L681 PolarHBondContact O-N 3.24Å; A679-D682 PolarHBondContact O-N 2.96Å; A679-E683 WeakPolarHBondContact O-CB 3.44Å; A679-E683 PolarHBondContact O-N 2.9Å |
| 680 | D | 86.6 | Confident | 84.8 | Confident | 85 Ų | 85 | 93.2 Ų | 93.2 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 176.1 | -59.9 | -23.7 | 0 | 0 | 0 | 111.9 | T676 D682 E683 T684 | T676-D680 PolarHBondContact O-N 3.01Å; D680-D682 VanDerWaalsContact C-N 3.34Å; D680-E683 PolarHBondContact O-N 3.31Å; D680-T684 WeakPolarHBondContact O-CB 3.49Å; D680-T684 WeakPolarHBondContact O-CG2 3.49Å; D680-T684 PolarHBondContact O-N 3.39Å; D680-T684 PolarHBondContact O-OG1 2.89Å |
| 681 | L | 84.6 | Confident | 84.8 | Confident | 113 Ų | 113 | 90 Ų | 90 | 59% | 0.592 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.7 | -41.4 | 174.3 | -171.5 | 79.6 | 0 | 0 | 0 | 111.2 | C677 Q678 A679 T684 T685 | C677-L681 VanDerWaalsContact O-CB 3.25Å; C677-L681 WeakPolarHBondContact O-CB 3.4Å; C677-L681 PolarHBondContact O-N 3.1Å; Q678-L681 PolarHBondContact O-N 3.41Å; A679-L681 PolarHBondContact O-N 3.24Å; L681-T684 WeakPolarHBondContact CA-OG1 3.48Å; L681-T684 PolarHBondContact O-OG1 3.25Å; L681-T685 WeakPolarHBondContact O-CB 3.46Å; L681-T685 PolarHBondContact O-N 2.98Å; L681-T685 PolarHBondContact O-OG1 2.85Å |
| 682 | D | 85.1 | Confident | 84.8 | Confident | 90 Ų | 90 | 89.1 Ų | 89.1 | 48% | 0.481 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -72.1 | -32.2 | -178.7 | -142.5 | 47 | 0 | 0 | 0 | 111.6 | Q678 A679 D680 K686 | Q678-D682 VanDerWaalsContact O-CB 3.28Å; Q678-D682 WeakPolarHBondContact O-CB 3.32Å; Q678-D682 PolarHBondContact O-N 3.14Å; A679-D682 PolarHBondContact O-N 2.96Å; D680-D682 VanDerWaalsContact C-N 3.34Å; D682-K686 WeakPolarHBondContact O-CD 3.35Å; D682-K686 WeakPolarHBondContact O-CE 3.37Å; D682-K686 WeakPolarHBondContact O-CG 3.42Å; D682-K686 PolarHBondContact O-N 3.34Å; D682-K686 PolarHBondContact O-NZ 3.09Å; D682-K686 IonicContact OD2-NZ 2.79Å; D682-K686 PolarHBondContact OD2-NZ 3.45Å |
| 683 | E | 84.1 | Confident | 84.8 | Confident | 128 Ų | 128 | 90 Ų | 90 | 60% | 0.598 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -72.5 | -52.2 | 171.8 | -174.2 | 149.3 | -129.6 | 0 | 0 | 111.7 | A679 D680 T685 K686 E687 | A679-E683 WeakPolarHBondContact O-CB 3.44Å; A679-E683 PolarHBondContact O-N 2.9Å; D680-E683 PolarHBondContact O-N 3.31Å; E683-T685 PolarHBondContact O-N 3.39Å; E683-K686 CarbonylContact O-C 3.52Å; E683-K686 WeakPolarHBondContact O-CA 3.34Å; E683-K686 WeakPolarHBondContact O-CB 3.26Å; E683-K686 PolarHBondContact O-N 2.96Å; E683-E687 PolarHBondContact O-N 3.02Å |
| 684 | T | 83.1 | Confident | 84.6 | Confident | 76 Ų | 76 | 93.2 Ų | 93.2 | 47% | 0.466 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.4 | -31.5 | 175.3 | 51.4 | 0 | 0 | 0 | 0 | 112.8 | D680 L681 E687 L688 | D680-T684 WeakPolarHBondContact O-CB 3.49Å; D680-T684 WeakPolarHBondContact O-CG2 3.49Å; D680-T684 PolarHBondContact O-N 3.39Å; D680-T684 PolarHBondContact O-OG1 2.89Å; L681-T684 WeakPolarHBondContact CA-OG1 3.48Å; L681-T684 PolarHBondContact O-OG1 3.25Å; T684-E687 PolarHBondContact O-N 3.49Å; T684-L688 WeakPolarHBondContact O-CB 3.47Å; T684-L688 PolarHBondContact O-N 3.01Å |
| 685 | T | 85.3 | Confident | 84.6 | Confident | 42 Ų | 42 | 90.8 Ų | 90.8 | 26% | 0.258 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.2 | -34.4 | 171.9 | -61.5 | 0 | 0 | 0 | 0 | 112.3 | L681 E683 R689 | L681-T685 WeakPolarHBondContact O-CB 3.46Å; L681-T685 PolarHBondContact O-N 2.98Å; L681-T685 PolarHBondContact O-OG1 2.85Å; E683-T685 PolarHBondContact O-N 3.39Å; T685-R689 VanDerWaalsContact O-CG 3.31Å; T685-R689 WeakPolarHBondContact O-CG 3.47Å; T685-R689 PolarHBondContact O-N 2.97Å |
| 686 | K | 85.9 | Confident | 84.6 | Confident | 113 Ų | 113 | 91.5 Ų | 91.5 | 49% | 0.491 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70 | -40.7 | 172.2 | -69.2 | 154.9 | -161.6 | 141.7 | 0 | 110.9 | D682 E683 R689 S690 | D682-K686 WeakPolarHBondContact O-CD 3.35Å; D682-K686 WeakPolarHBondContact O-CE 3.37Å; D682-K686 WeakPolarHBondContact O-CG 3.42Å; D682-K686 PolarHBondContact O-N 3.34Å; D682-K686 PolarHBondContact O-NZ 3.09Å; D682-K686 IonicContact OD2-NZ 2.79Å; D682-K686 PolarHBondContact OD2-NZ 3.45Å; E683-K686 CarbonylContact O-C 3.52Å; E683-K686 WeakPolarHBondContact O-CA 3.34Å; E683-K686 WeakPolarHBondContact O-CB 3.26Å; E683-K686 PolarHBondContact O-N 2.96Å; K686-R689 PolarHBondContact O-N 2.73Å; K686-S690 WeakPolarHBondContact O-CB 3.31Å; K686-S690 PolarHBondContact O-N 3.4Å |
| 687 | E | 84.3 | Confident | 84.8 | Confident | 128 Ų | 128 | 94.7 Ų | 94.7 | 60% | 0.598 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.7 | -43.2 | 174 | -68.3 | -158.2 | 130.5 | 0 | 0 | 112.2 | E683 T684 S690 A691 | E683-E687 PolarHBondContact O-N 3.02Å; T684-E687 PolarHBondContact O-N 3.49Å; E687-S690 CarbonylContact O-C 3.55Å; E687-S690 WeakPolarHBondContact O-CB 3.48Å; E687-S690 PolarHBondContact O-N 3.07Å; E687-A691 WeakPolarHBondContact O-CB 3.37Å; E687-A691 PolarHBondContact O-N 2.58Å |
| 688 | L | 85.3 | Confident | 84.8 | Confident | 100 Ų | 100 | 93.9 Ų | 93.9 | 52% | 0.524 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.3 | -48 | 175.8 | -180 | 60.9 | 0 | 0 | 0 | 111.3 | T684 S690 A691 D692 | T684-L688 WeakPolarHBondContact O-CB 3.47Å; T684-L688 PolarHBondContact O-N 3.01Å; L688-S690 VanDerWaalsContact C-N 3.29Å; L688-S690 PolarHBondContact O-N 3.23Å; L688-A691 CarbonylContact O-C 3.59Å; L688-A691 WeakPolarHBondContact O-CA 3.46Å; L688-A691 WeakPolarHBondContact O-CB 3.47Å; L688-A691 PolarHBondContact O-N 2.92Å; L688-D692 PolarHBondContact O-N 2.93Å |
| 689 | R | 86.7 | Confident | 85 | Confident | 158 Ų | 158 | 95.1 Ų | 95.1 | 60% | 0.596 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.6 | -39.6 | 174.2 | -71.4 | 172.3 | -171.9 | 161.2 | 7 | 112.2 | T685 K686 A691 D692 E693 | T685-R689 VanDerWaalsContact O-CG 3.31Å; T685-R689 WeakPolarHBondContact O-CG 3.47Å; T685-R689 PolarHBondContact O-N 2.97Å; K686-R689 PolarHBondContact O-N 2.73Å; R689-A691 VanDerWaalsContact C-N 3.33Å; R689-A691 PolarHBondContact O-N 3.35Å; R689-D692 PolarHBondContact O-N 3.25Å; R689-E693 WeakPolarHBondContact O-CB 3.47Å; R689-E693 WeakPolarHBondContact O-CG 3.36Å; R689-E693 PolarHBondContact O-N 3.49Å |
| 690 | S | 84 | Confident | 85.1 | Confident | 59 Ų | 59 | 97.7 Ų | 97.7 | 41% | 0.413 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.3 | -32.4 | 174.1 | 174 | 0 | 0 | 0 | 0 | 112.7 | K686 E687 L688 R694 | K686-S690 WeakPolarHBondContact O-CB 3.31Å; K686-S690 PolarHBondContact O-N 3.4Å; E687-S690 CarbonylContact O-C 3.55Å; E687-S690 WeakPolarHBondContact O-CB 3.48Å; E687-S690 PolarHBondContact O-N 3.07Å; L688-S690 VanDerWaalsContact C-N 3.29Å; L688-S690 PolarHBondContact O-N 3.23Å; S690-R694 WeakPolarHBondContact O-CG 3.31Å; S690-R694 PolarHBondContact O-N 2.78Å; S690-R694 PolarHBondContact O-NE 2.91Å |
| 691 | A | 85.2 | Confident | 85.1 | Confident | 39 Ų | 39 | 97.8 Ų | 97.8 | 32% | 0.322 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71.6 | -46.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E687 L688 R689 E693 R694 A695 | E687-A691 WeakPolarHBondContact O-CB 3.37Å; E687-A691 PolarHBondContact O-N 2.58Å; L688-A691 CarbonylContact O-C 3.59Å; L688-A691 WeakPolarHBondContact O-CA 3.46Å; L688-A691 WeakPolarHBondContact O-CB 3.47Å; L688-A691 PolarHBondContact O-N 2.92Å; R689-A691 VanDerWaalsContact C-N 3.33Å; R689-A691 PolarHBondContact O-N 3.35Å; A691-E693 PolarHBondContact O-N 2.99Å; A691-R694 CarbonylContact O-C 3.59Å; A691-R694 WeakPolarHBondContact O-CB 3.37Å; A691-R694 PolarHBondContact O-N 2.89Å; A691-R694 VanDerWaalsContact O-N 3.14Å; A691-A695 WeakPolarHBondContact O-CB 3.43Å; A691-A695 PolarHBondContact O-N 3.24Å |
| 692 | D | 85.4 | Confident | 85 | Confident | 83 Ų | 83 | 94.7 Ų | 94.7 | 44% | 0.444 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 176.1 | -78.8 | -16 | 0 | 0 | 0 | 111.9 | L688 R689 R694 A695 N696 | L688-D692 PolarHBondContact O-N 2.93Å; R689-D692 PolarHBondContact O-N 3.25Å; D692-R694 VanDerWaalsContact C-N 3.32Å; D692-R694 PolarHBondContact O-N 2.93Å; D692-A695 PolarHBondContact O-N 3.46Å; D692-N696 VanDerWaalsContact O-CB 3.29Å; D692-N696 WeakPolarHBondContact O-CB 3.48Å; D692-N696 PolarHBondContact O-N 2.71Å; D692-N696 PolarHBondContact O-ND2 2.74Å |
| 693 | E | 83.3 | Confident | 85.1 | Confident | 106 Ų | 106 | 92.8 Ų | 92.8 | 50% | 0.495 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62 | -39.6 | 173.2 | -82.7 | -166.9 | -130.7 | 0 | 0 | 111.9 | R689 A691 R697 | R689-E693 WeakPolarHBondContact O-CB 3.47Å; R689-E693 WeakPolarHBondContact O-CG 3.36Å; R689-E693 PolarHBondContact O-N 3.49Å; A691-E693 PolarHBondContact O-N 2.99Å; E693-R697 WeakPolarHBondContact O-CB 3.15Å; E693-R697 WeakPolarHBondContact O-CD 3.28Å; E693-R697 WeakPolarHBondContact O-CG 3.37Å; E693-R697 PolarHBondContact O-N 2.71Å; E693-R697 IonicContact OE2-CZ 2.86Å; E693-R697 IonicContact OE2-NH2 3.04Å; E693-R697 PolarHBondContact OE2-NH2 2.88Å |
| 694 | R | 83.9 | Confident | 85.3 | Confident | 153 Ų | 153 | 92.7 Ų | 92.7 | 58% | 0.577 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -68.6 | -40.7 | 175.1 | -76.6 | 175.9 | -72.1 | 153.9 | -2 | 111.9 | S690 A691 D692 R697 A698 | S690-R694 WeakPolarHBondContact O-CG 3.31Å; S690-R694 PolarHBondContact O-N 2.78Å; S690-R694 PolarHBondContact O-NE 2.91Å; A691-R694 CarbonylContact O-C 3.59Å; A691-R694 WeakPolarHBondContact O-CB 3.37Å; A691-R694 PolarHBondContact O-N 2.89Å; A691-R694 VanDerWaalsContact O-N 3.14Å; D692-R694 VanDerWaalsContact C-N 3.32Å; D692-R694 PolarHBondContact O-N 2.93Å; R694-R697 PolarHBondContact O-N 3.16Å; R694-A698 WeakPolarHBondContact O-CB 3.37Å; R694-A698 PolarHBondContact O-N 3.48Å |
| 695 | A | 83.4 | Confident | 85.3 | Confident | 47 Ų | 47 | 91.6 Ų | 91.6 | 39% | 0.388 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.5 | -44.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A691 D692 A698 M699 | A691-A695 WeakPolarHBondContact O-CB 3.43Å; A691-A695 PolarHBondContact O-N 3.24Å; D692-A695 PolarHBondContact O-N 3.46Å; A695-A698 PolarHBondContact O-N 3.45Å; A695-M699 WeakPolarHBondContact O-CB 3.4Å; A695-M699 WeakPolarHBondContact O-CG 3.33Å; A695-M699 PolarHBondContact O-N 3.28Å |
| 696 | N | 86.9 | Confident | 85.5 | Confident | 87 Ų | 87 | 95.7 Ų | 95.7 | 47% | 0.465 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 176.1 | -80.5 | -73.2 | 0 | 0 | 0 | 112.2 | D692 M699 Q700 | D692-N696 VanDerWaalsContact O-CB 3.29Å; D692-N696 WeakPolarHBondContact O-CB 3.48Å; D692-N696 PolarHBondContact O-N 2.71Å; D692-N696 PolarHBondContact O-ND2 2.74Å; N696-M699 PolarHBondContact O-N 2.88Å; N696-Q700 WeakPolarHBondContact O-CB 3.32Å; N696-Q700 VanDerWaalsContact O-CG 3.3Å; N696-Q700 WeakPolarHBondContact O-CG 3.48Å; N696-Q700 PolarHBondContact O-N 3.02Å |
| 697 | R | 86.4 | Confident | 85.4 | Confident | 140 Ų | 140 | 96.5 Ų | 96.5 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.5 | -47.4 | 172.3 | -70.3 | 168.2 | -156.4 | -165.7 | 8.1 | 111 | E693 R694 M699 Q700 D701 | E693-R697 WeakPolarHBondContact O-CB 3.15Å; E693-R697 WeakPolarHBondContact O-CD 3.28Å; E693-R697 WeakPolarHBondContact O-CG 3.37Å; E693-R697 PolarHBondContact O-N 2.71Å; E693-R697 IonicContact OE2-CZ 2.86Å; E693-R697 IonicContact OE2-NH2 3.04Å; E693-R697 PolarHBondContact OE2-NH2 2.88Å; R694-R697 PolarHBondContact O-N 3.16Å; R697-M699 VanDerWaalsContact C-N 3.31Å; R697-M699 PolarHBondContact O-N 2.96Å; R697-Q700 PolarHBondContact O-N 3.39Å; R697-Q700 VanDerWaalsContact O-N 3.15Å; R697-D701 WeakPolarHBondContact O-CB 3.43Å; R697-D701 PolarHBondContact O-N 3.44Å |
| 698 | A | 83 | Confident | 85.5 | Confident | 59 Ų | 59 | 96.3 Ų | 96.3 | 49% | 0.488 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.3 | -36.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | R694 A695 A702 | R694-A698 WeakPolarHBondContact O-CB 3.37Å; R694-A698 PolarHBondContact O-N 3.48Å; A695-A698 PolarHBondContact O-N 3.45Å; A698-A702 VanDerWaalsContact O-CB 3.24Å; A698-A702 WeakPolarHBondContact O-CB 2.84Å; A698-A702 PolarHBondContact O-N 2.99Å |
| 699 | M | 87.6 | Confident | 85.4 | Confident | 136 Ų | 136 | 96.3 Ų | 96.3 | 67% | 0.67 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.6 | -41.7 | 172.5 | -78.8 | -176.4 | 159.9 | 0 | 0 | 112.5 | A695 N696 R697 D701 A702 A703 | A695-M699 WeakPolarHBondContact O-CB 3.4Å; A695-M699 WeakPolarHBondContact O-CG 3.33Å; A695-M699 PolarHBondContact O-N 3.28Å; N696-M699 PolarHBondContact O-N 2.88Å; R697-M699 VanDerWaalsContact C-N 3.31Å; R697-M699 PolarHBondContact O-N 2.96Å; M699-D701 VanDerWaalsContact C-N 3.34Å; M699-A702 PolarHBondContact O-N 3.32Å; M699-A703 VanDerWaalsContact O-CB 3.26Å; M699-A703 WeakPolarHBondContact O-CB 3.38Å; M699-A703 PolarHBondContact O-N 2.91Å |
| 700 | Q | 87.2 | Confident | 85.5 | Confident | 110 Ų | 110 | 94.6 Ų | 94.6 | 51% | 0.514 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.9 | -34 | 175.3 | -72.9 | 173.8 | 8.5 | 0 | 0 | 112.4 | N696 R697 R704 | N696-Q700 WeakPolarHBondContact O-CB 3.32Å; N696-Q700 VanDerWaalsContact O-CG 3.3Å; N696-Q700 WeakPolarHBondContact O-CG 3.48Å; N696-Q700 PolarHBondContact O-N 3.02Å; R697-Q700 PolarHBondContact O-N 3.39Å; R697-Q700 VanDerWaalsContact O-N 3.15Å; Q700-R704 WeakPolarHBondContact O-CB 3.41Å; Q700-R704 WeakPolarHBondContact O-CG 3.49Å; Q700-R704 PolarHBondContact O-N 2.91Å; Q700-R704 PolarHBondContact O-NE 3.29Å |
| 701 | D | 86.3 | Confident | 85.6 | Confident | 87 Ų | 87 | 97.3 Ų | 97.3 | 47% | 0.465 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -74.2 | -39.7 | 175.9 | -66.1 | -19.6 | 0 | 0 | 0 | 111 | R697 M699 R704 A705 | R697-D701 WeakPolarHBondContact O-CB 3.43Å; R697-D701 PolarHBondContact O-N 3.44Å; M699-D701 VanDerWaalsContact C-N 3.34Å; D701-R704 PolarHBondContact O-N 3.48Å; D701-R704 IonicContact OD1-CZ 2.67Å; D701-R704 IonicContact OD1-NE 3.44Å; D701-R704 IonicContact OD1-NH2 3.13Å; D701-R704 PolarHBondContact OD1-NH2 3.07Å; D701-A705 WeakPolarHBondContact O-CB 3.43Å; D701-A705 PolarHBondContact O-N 3.3Å |
| 702 | A | 82.3 | Confident | 85.5 | Confident | 48 Ų | 48 | 101.6 Ų | 101.6 | 40% | 0.397 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.7 | -39.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | A698 M699 A705 M706 | A698-A702 VanDerWaalsContact O-CB 3.24Å; A698-A702 WeakPolarHBondContact O-CB 2.84Å; A698-A702 PolarHBondContact O-N 2.99Å; M699-A702 PolarHBondContact O-N 3.32Å; A702-A705 PolarHBondContact O-N 3.42Å; A702-M706 WeakPolarHBondContact O-CG 3.25Å; A702-M706 PolarHBondContact O-N 3.27Å |
| 703 | A | 88 | Confident | 85.6 | Confident | 50 Ų | 50 | 101.9 Ų | 101.9 | 41% | 0.413 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.4 | -48.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | M699 A705 M706 E707 | M699-A703 VanDerWaalsContact O-CB 3.26Å; M699-A703 WeakPolarHBondContact O-CB 3.38Å; M699-A703 PolarHBondContact O-N 2.91Å; A703-A705 VanDerWaalsContact C-N 3.32Å; A703-A705 PolarHBondContact O-N 2.89Å; A703-M706 PolarHBondContact O-N 3.28Å; A703-M706 VanDerWaalsContact O-N 3.15Å; A703-E707 WeakPolarHBondContact O-CB 3.47Å; A703-E707 PolarHBondContact O-N 3.29Å |
| 704 | R | 87.5 | Confident | 85.6 | Confident | 126 Ų | 126 | 101.7 Ų | 101.7 | 48% | 0.475 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.3 | -37.3 | 174.8 | -76.3 | -179.1 | -75.6 | -162.6 | -2.3 | 112.8 | Q700 D701 E707 Q708 | Q700-R704 WeakPolarHBondContact O-CB 3.41Å; Q700-R704 WeakPolarHBondContact O-CG 3.49Å; Q700-R704 PolarHBondContact O-N 2.91Å; Q700-R704 PolarHBondContact O-NE 3.29Å; D701-R704 PolarHBondContact O-N 3.48Å; D701-R704 IonicContact OD1-CZ 2.67Å; D701-R704 IonicContact OD1-NE 3.44Å; D701-R704 IonicContact OD1-NH2 3.13Å; D701-R704 PolarHBondContact OD1-NH2 3.07Å; R704-E707 PolarHBondContact O-N 3.43Å; R704-Q708 WeakPolarHBondContact O-CB 3.49Å; R704-Q708 VanDerWaalsContact O-CG 3.25Å; R704-Q708 WeakPolarHBondContact O-CG 3.22Å; R704-Q708 PolarHBondContact O-N 3Å |
| 705 | A | 84.5 | Confident | 85.7 | Confident | 53 Ų | 53 | 99.2 Ų | 99.2 | 44% | 0.438 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.8 | -35.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D701 A702 A703 L709 | D701-A705 WeakPolarHBondContact O-CB 3.43Å; D701-A705 PolarHBondContact O-N 3.3Å; A702-A705 PolarHBondContact O-N 3.42Å; A703-A705 VanDerWaalsContact C-N 3.32Å; A703-A705 PolarHBondContact O-N 2.89Å; A705-L709 VanDerWaalsContact O-CB 3.25Å; A705-L709 WeakPolarHBondContact O-CB 3.4Å; A705-L709 PolarHBondContact O-N 2.95Å |
| 706 | M | 87.7 | Confident | 85.8 | Confident | 127 Ų | 127 | 100.4 Ų | 100.4 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.7 | -39 | 172.9 | -74.3 | -174.9 | -70.6 | 0 | 0 | 112.2 | A702 A703 L709 H710 | A702-M706 WeakPolarHBondContact O-CG 3.25Å; A702-M706 PolarHBondContact O-N 3.27Å; A703-M706 PolarHBondContact O-N 3.28Å; A703-M706 VanDerWaalsContact O-N 3.15Å; M706-L709 PolarHBondContact O-N 2.9Å; M706-H710 PolarHBondContact O-N 2.9Å |
| 707 | E | 85.4 | Confident | 85.9 | Confident | 130 Ų | 130 | 103.1 Ų | 103.1 | 61% | 0.607 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.5 | -49.7 | 175.6 | -168 | 166.2 | -137.5 | 0 | 0 | 110.9 | A703 R704 L709 H710 E711 | A703-E707 WeakPolarHBondContact O-CB 3.47Å; A703-E707 PolarHBondContact O-N 3.29Å; R704-E707 PolarHBondContact O-N 3.43Å; E707-L709 VanDerWaalsContact C-N 3.33Å; E707-L709 PolarHBondContact O-N 2.95Å; E707-H710 WeakPolarHBondContact O-CA 3.46Å; E707-H710 PolarHBondContact O-N 2.84Å; E707-E711 PolarHBondContact O-N 3.13Å |
| 708 | Q | 85.1 | Confident | 86 | Confident | 125 Ų | 125 | 101.9 Ų | 101.9 | 58% | 0.584 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.9 | -39.7 | 173.1 | -74 | 173.9 | -9.8 | 0 | 0 | 112.9 | R704 H710 E711 E712 | R704-Q708 WeakPolarHBondContact O-CB 3.49Å; R704-Q708 VanDerWaalsContact O-CG 3.25Å; R704-Q708 WeakPolarHBondContact O-CG 3.22Å; R704-Q708 PolarHBondContact O-N 3Å; Q708-H710 VanDerWaalsContact C-N 3.26Å; Q708-H710 PolarHBondContact O-N 3.48Å; Q708-E711 PolarHBondContact O-N 2.97Å; Q708-E712 WeakPolarHBondContact O-CB 3.4Å; Q708-E712 PolarHBondContact O-N 3.45Å |
| 709 | L | 83.9 | Confident | 86 | Confident | 99 Ų | 99 | 104.5 Ų | 104.5 | 52% | 0.518 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.4 | -34.7 | 174.4 | 178.2 | 62.8 | 0 | 0 | 0 | 111.6 | A705 M706 E707 Q713 | A705-L709 VanDerWaalsContact O-CB 3.25Å; A705-L709 WeakPolarHBondContact O-CB 3.4Å; A705-L709 PolarHBondContact O-N 2.95Å; M706-L709 PolarHBondContact O-N 2.9Å; E707-L709 VanDerWaalsContact C-N 3.33Å; E707-L709 PolarHBondContact O-N 2.95Å; L709-Q713 WeakPolarHBondContact O-CB 3.36Å; L709-Q713 WeakPolarHBondContact O-CG 3.33Å; L709-Q713 PolarHBondContact O-N 3.19Å |
| 710 | H | 88.4 | Confident | 85.9 | Confident | 123 Ų | 123 | 100.5 Ų | 100.5 | 57% | 0.569 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -77.5 | -38 | 178.7 | -144.6 | 41.3 | 0 | 0 | 0 | 112.1 | M706 E707 Q708 E712 Q713 E714 | M706-H710 PolarHBondContact O-N 2.9Å; E707-H710 WeakPolarHBondContact O-CA 3.46Å; E707-H710 PolarHBondContact O-N 2.84Å; Q708-H710 VanDerWaalsContact C-N 3.26Å; Q708-H710 PolarHBondContact O-N 3.48Å; H710-E712 PolarHBondContact O-N 3.25Å; H710-Q713 PolarHBondContact ND1-OE1 3.28Å; H710-Q713 PolarHBondContact O-N 3.09Å; H710-E714 PolarHBondContact O-N 3.14Å |
| 711 | E | 87.4 | Confident | 85.9 | Confident | 116 Ų | 116 | 98 Ų | 98 | 54% | 0.542 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.4 | -45.6 | 169.3 | -69.9 | -173.4 | 132.7 | 0 | 0 | 111.5 | E707 Q708 E714 H715 | E707-E711 PolarHBondContact O-N 3.13Å; Q708-E711 PolarHBondContact O-N 2.97Å; E711-E714 PolarHBondContact O-N 3.01Å; E711-H715 PolarHBondContact O-N 3.23Å; E711-H715 PolarHBondContact O-ND1 3.34Å |
| 712 | E | 82.1 | Confident | 86 | Confident | 129 Ų | 129 | 100.1 Ų | 100.1 | 60% | 0.603 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.1 | -35.3 | 178.2 | -171.6 | 63.8 | -162.2 | 0 | 0 | 111.9 | Q708 H710 H715 S716 | Q708-E712 WeakPolarHBondContact O-CB 3.4Å; Q708-E712 PolarHBondContact O-N 3.45Å; H710-E712 PolarHBondContact O-N 3.25Å; E712-H715 PolarHBondContact O-N 3.49Å; E712-S716 VanDerWaalsContact O-CB 3.28Å; E712-S716 WeakPolarHBondContact O-CB 3.32Å; E712-S716 PolarHBondContact O-N 2.97Å |
| 713 | Q | 86.4 | Confident | 86.3 | Confident | 89 Ų | 89 | 103.8 Ų | 103.8 | 42% | 0.416 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 170.1 | -79.3 | 168 | 2.3 | 0 | 0 | 111.5 | L709 H710 H715 S716 M717 | L709-Q713 WeakPolarHBondContact O-CB 3.36Å; L709-Q713 WeakPolarHBondContact O-CG 3.33Å; L709-Q713 PolarHBondContact O-N 3.19Å; H710-Q713 PolarHBondContact ND1-OE1 3.28Å; H710-Q713 PolarHBondContact O-N 3.09Å; Q713-H715 PolarHBondContact O-N 3.11Å; Q713-S716 PolarHBondContact O-N 3.3Å; Q713-M717 WeakPolarHBondContact O-CB 3.38Å; Q713-M717 VanDerWaalsContact O-CG 3.3Å; Q713-M717 WeakPolarHBondContact O-CG 3.31Å; Q713-M717 PolarHBondContact O-N 3.42Å |
| 714 | E | 85.4 | Confident | 86.2 | Confident | 101 Ų | 101 | 107 Ų | 107 | 47% | 0.472 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 174.2 | -81.1 | -148.6 | 162 | 0 | 0 | 112.1 | H710 E711 M717 K718 | H710-E714 PolarHBondContact O-N 3.14Å; E711-E714 PolarHBondContact O-N 3.01Å; E714-M717 PolarHBondContact O-N 2.91Å; E714-K718 WeakPolarHBondContact O-CB 3.29Å; E714-K718 WeakPolarHBondContact O-CD 3.27Å; E714-K718 WeakPolarHBondContact O-CG 3.49Å; E714-K718 PolarHBondContact O-N 3.37Å; E714-K718 WeakPolarHBondContact OE2-CE 3.5Å; E714-K718 IonicContact OE2-NZ 2.68Å; E714-K718 PolarHBondContact OE2-NZ 2.69Å |
| 715 | H | 85.4 | Confident | 86.1 | Confident | 102 Ų | 102 | 103.7 Ų | 103.7 | 47% | 0.472 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 177.3 | -80.6 | 73 | 0 | 0 | 0 | 111.2 | E711 E712 Q713 M717 K718 I719 | E711-H715 PolarHBondContact O-N 3.23Å; E711-H715 PolarHBondContact O-ND1 3.34Å; E712-H715 PolarHBondContact O-N 3.49Å; Q713-H715 PolarHBondContact O-N 3.11Å; H715-M717 PolarHBondContact O-N 3.06Å; H715-K718 PolarHBondContact O-N 2.7Å; H715-I719 WeakPolarHBondContact O-CB 3.36Å; H715-I719 VanDerWaalsContact O-CG1 3.23Å; H715-I719 WeakPolarHBondContact O-CG1 3.49Å; H715-I719 PolarHBondContact O-N 3.02Å |
| 716 | S | 85.3 | Confident | 86.1 | Confident | 72 Ų | 72 | 105.8 Ų | 105.8 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.7 | -45.8 | 174.3 | -175.1 | 0 | 0 | 0 | 0 | 112 | E712 Q713 I719 D720 | E712-S716 VanDerWaalsContact O-CB 3.28Å; E712-S716 WeakPolarHBondContact O-CB 3.32Å; E712-S716 PolarHBondContact O-N 2.97Å; Q713-S716 PolarHBondContact O-N 3.3Å; S716-I719 PolarHBondContact O-N 3.46Å; S716-D720 WeakPolarHBondContact O-CB 3.43Å; S716-D720 PolarHBondContact O-N 2.79Å |
| 717 | M | 87.9 | Confident | 86 | Confident | 143 Ų | 143 | 103.5 Ų | 103.5 | 70% | 0.704 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.5 | -40.3 | 176.6 | -73.1 | 176.2 | 64.6 | 0 | 0 | 112.8 | Q713 E714 H715 D720 A721 | Q713-M717 WeakPolarHBondContact O-CB 3.38Å; Q713-M717 VanDerWaalsContact O-CG 3.3Å; Q713-M717 WeakPolarHBondContact O-CG 3.31Å; Q713-M717 PolarHBondContact O-N 3.42Å; E714-M717 PolarHBondContact O-N 2.91Å; H715-M717 PolarHBondContact O-N 3.06Å; M717-D720 PolarHBondContact O-N 3.24Å; M717-A721 VanDerWaalsContact O-CB 3.26Å; M717-A721 WeakPolarHBondContact O-CB 3.38Å; M717-A721 PolarHBondContact O-N 3.46Å |
| 718 | K | 88.4 | Confident | 85.9 | Confident | 115 Ų | 115 | 103.4 Ų | 103.4 | 50% | 0.5 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 175 | -72.1 | 161.3 | -168.9 | 166.3 | 0 | 111.3 | E714 H715 M722 | E714-K718 WeakPolarHBondContact O-CB 3.29Å; E714-K718 WeakPolarHBondContact O-CD 3.27Å; E714-K718 WeakPolarHBondContact O-CG 3.49Å; E714-K718 PolarHBondContact O-N 3.37Å; E714-K718 WeakPolarHBondContact OE2-CE 3.5Å; E714-K718 IonicContact OE2-NZ 2.68Å; E714-K718 PolarHBondContact OE2-NZ 2.69Å; H715-K718 PolarHBondContact O-N 2.7Å; K718-M722 VanDerWaalsContact O-CB 3.26Å; K718-M722 WeakPolarHBondContact O-CB 3.33Å; K718-M722 PolarHBondContact O-N 3.48Å |
| 719 | I | 84.8 | Confident | 85.8 | Confident | 114 Ų | 114 | 103 Ų | 103 | 59% | 0.585 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.6 | -47.7 | 175.8 | -71.7 | 165.1 | 0 | 0 | 0 | 110.7 | H715 S716 A721 M722 R723 | H715-I719 WeakPolarHBondContact O-CB 3.36Å; H715-I719 VanDerWaalsContact O-CG1 3.23Å; H715-I719 WeakPolarHBondContact O-CG1 3.49Å; H715-I719 PolarHBondContact O-N 3.02Å; S716-I719 PolarHBondContact O-N 3.46Å; I719-A721 PolarHBondContact O-N 3.11Å; I719-M722 PolarHBondContact O-N 3.42Å; I719-R723 WeakPolarHBondContact O-CB 3.26Å; I719-R723 PolarHBondContact O-N 3.4Å |
| 720 | D | 84.9 | Confident | 85.8 | Confident | 52 Ų | 52 | 101.8 Ų | 101.8 | 28% | 0.278 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -72.7 | -28.6 | -177.1 | -157.3 | 55.4 | 0 | 0 | 0 | 112.5 | S716 M717 R723 K724 | S716-D720 WeakPolarHBondContact O-CB 3.43Å; S716-D720 PolarHBondContact O-N 2.79Å; M717-D720 PolarHBondContact O-N 3.24Å; D720-R723 IonicContact OD1-CZ 3.84Å; D720-R723 IonicContact OD1-NH1 3.69Å; D720-R723 PolarHBondContact OD1-NH1 3.14Å; D720-K724 WeakPolarHBondContact O-CD 3.35Å; D720-K724 VanDerWaalsContact O-CG 3.31Å; D720-K724 WeakPolarHBondContact O-CG 3.28Å; D720-K724 PolarHBondContact O-N 3.34Å; D720-K724 IonicContact OD2-NZ 3.83Å; D720-K724 PolarHBondContact OD2-NZ 3.35Å |
| 721 | A | 87.6 | Confident | 85.7 | Confident | 58 Ų | 58 | 102.1 Ų | 102.1 | 48% | 0.479 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.8 | -47.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | M717 I719 R723 K724 A725 | M717-A721 VanDerWaalsContact O-CB 3.26Å; M717-A721 WeakPolarHBondContact O-CB 3.38Å; M717-A721 PolarHBondContact O-N 3.46Å; I719-A721 PolarHBondContact O-N 3.11Å; A721-R723 VanDerWaalsContact C-N 3.3Å; A721-R723 PolarHBondContact O-N 3.29Å; A721-K724 PolarHBondContact O-N 3.47Å; A721-A725 PolarHBondContact O-N 3.43Å |
| 722 | M | 87.2 | Confident | 85.5 | Confident | 131 Ų | 131 | 101.2 Ų | 101.2 | 65% | 0.645 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.8 | -38 | 176.2 | -176 | 175.5 | 176.2 | 0 | 0 | 111.6 | K718 I719 A725 L726 | K718-M722 VanDerWaalsContact O-CB 3.26Å; K718-M722 WeakPolarHBondContact O-CB 3.33Å; K718-M722 PolarHBondContact O-N 3.48Å; I719-M722 PolarHBondContact O-N 3.42Å; M722-A725 PolarHBondContact O-N 2.91Å; M722-L726 HydrophobicContact CG-CD1 4.38Å; M722-L726 WeakPolarHBondContact O-CG 3.27Å; M722-L726 PolarHBondContact O-N 3.35Å |
| 723 | R | 88.4 | Confident | 85.4 | Confident | 124 Ų | 124 | 99.5 Ų | 99.5 | 47% | 0.468 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.7 | -47.9 | 171.7 | 179.3 | -168 | 146.8 | -139.7 | -8.2 | 111.6 | I719 D720 A721 A725 L726 E727 | I719-R723 WeakPolarHBondContact O-CB 3.26Å; I719-R723 PolarHBondContact O-N 3.4Å; D720-R723 IonicContact OD1-CZ 3.84Å; D720-R723 IonicContact OD1-NH1 3.69Å; D720-R723 PolarHBondContact OD1-NH1 3.14Å; A721-R723 VanDerWaalsContact C-N 3.3Å; A721-R723 PolarHBondContact O-N 3.29Å; R723-A725 VanDerWaalsContact C-N 3.34Å; R723-A725 PolarHBondContact O-N 3.45Å; R723-L726 PolarHBondContact O-N 2.93Å; R723-E727 IonicContact CZ-OE1 2.75Å; R723-E727 IonicContact NE-OE1 3.92Å; R723-E727 PolarHBondContact NE-OE1 2.86Å; R723-E727 IonicContact NH2-OE1 2.64Å; R723-E727 PolarHBondContact NH2-OE1 2.99Å; R723-E727 IonicContact NH2-OE2 2.68Å; R723-E727 WeakPolarHBondContact O-CG 3.4Å; R723-E727 PolarHBondContact O-N 3.49Å |
| 724 | K | 87.5 | Confident | 85.3 | Confident | 117 Ų | 117 | 100.5 Ų | 100.5 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.9 | -43.1 | 176.2 | -78.6 | 162.7 | 177.3 | 139.4 | 0 | 112 | D720 A721 L726 E727 E728 | D720-K724 WeakPolarHBondContact O-CD 3.35Å; D720-K724 VanDerWaalsContact O-CG 3.31Å; D720-K724 WeakPolarHBondContact O-CG 3.28Å; D720-K724 PolarHBondContact O-N 3.34Å; D720-K724 IonicContact OD2-NZ 3.83Å; D720-K724 PolarHBondContact OD2-NZ 3.35Å; A721-K724 PolarHBondContact O-N 3.47Å; K724-L726 VanDerWaalsContact C-N 3.33Å; K724-L726 PolarHBondContact O-N 3.38Å; K724-E727 PolarHBondContact O-N 3.07Å; K724-E728 WeakPolarHBondContact O-CB 3.48Å; K724-E728 PolarHBondContact O-N 3.24Å |
| 725 | A | 85.5 | Confident | 85.1 | Confident | 57 Ų | 57 | 100.7 Ų | 100.7 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61 | -40.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A721 M722 R723 E728 H729 | A721-A725 PolarHBondContact O-N 3.43Å; M722-A725 PolarHBondContact O-N 2.91Å; R723-A725 VanDerWaalsContact C-N 3.34Å; R723-A725 PolarHBondContact O-N 3.45Å; A725-E728 PolarHBondContact O-N 3.47Å; A725-H729 WeakPolarHBondContact O-CB 3.34Å; A725-H729 PolarHBondContact O-N 3.19Å |
| 726 | L | 83.1 | Confident | 84.8 | Confident | 98 Ų | 98 | 101.2 Ų | 101.2 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.5 | -41 | 174.2 | -72.4 | 168.5 | 0 | 0 | 0 | 112.6 | M722 R723 K724 E728 H729 V730 | M722-L726 HydrophobicContact CG-CD1 4.38Å; M722-L726 WeakPolarHBondContact O-CG 3.27Å; M722-L726 PolarHBondContact O-N 3.35Å; R723-L726 PolarHBondContact O-N 2.93Å; K724-L726 VanDerWaalsContact C-N 3.33Å; K724-L726 PolarHBondContact O-N 3.38Å; L726-E728 VanDerWaalsContact C-N 3.27Å; L726-E728 PolarHBondContact O-N 3.17Å; L726-H729 PolarHBondContact O-N 3.17Å; L726-V730 WeakPolarHBondContact O-CB 3.42Å; L726-V730 VanDerWaalsContact O-CG2 3.29Å; L726-V730 WeakPolarHBondContact O-CG2 3.5Å; L726-V730 PolarHBondContact O-N 2.72Å |
| 727 | E | 85.9 | Confident | 84.5 | Confident | 79 Ų | 79 | 102.3 Ų | 102.3 | 37% | 0.369 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.2 | -35.5 | 173.5 | -74.3 | 178.6 | -170.7 | 0 | 0 | 111.9 | R723 K724 K731 | R723-E727 IonicContact CZ-OE1 2.75Å; R723-E727 IonicContact NE-OE1 3.92Å; R723-E727 PolarHBondContact NE-OE1 2.86Å; R723-E727 IonicContact NH2-OE1 2.64Å; R723-E727 PolarHBondContact NH2-OE1 2.99Å; R723-E727 IonicContact NH2-OE2 2.68Å; R723-E727 WeakPolarHBondContact O-CG 3.4Å; R723-E727 PolarHBondContact O-N 3.49Å; K724-E727 PolarHBondContact O-N 3.07Å; E727-K731 WeakPolarHBondContact O-CG 3.48Å; E727-K731 PolarHBondContact O-N 2.91Å; E727-K731 VanDerWaalsContact O-N 3.13Å |
| 728 | E | 83.4 | Confident | 84.1 | Confident | 127 Ų | 127 | 101.7 Ų | 101.7 | 59% | 0.593 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -75.2 | -40.2 | 176.3 | -170 | 154.3 | -126.6 | 0 | 0 | 112.6 | K724 A725 L726 V730 K731 Q732 | K724-E728 WeakPolarHBondContact O-CB 3.48Å; K724-E728 PolarHBondContact O-N 3.24Å; A725-E728 PolarHBondContact O-N 3.47Å; L726-E728 VanDerWaalsContact C-N 3.27Å; L726-E728 PolarHBondContact O-N 3.17Å; E728-V730 VanDerWaalsContact C-N 3.33Å; E728-V730 PolarHBondContact O-N 2.75Å; E728-K731 WeakPolarHBondContact O-CB 3.19Å; E728-K731 PolarHBondContact O-N 3.5Å; E728-Q732 PolarHBondContact O-N 3.09Å |
| 729 | H | 83.7 | Confident | 83.6 | Confident | 116 Ų | 116 | 101.6 Ų | 101.6 | 54% | 0.537 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.7 | -37.4 | 171.2 | -118.6 | 15.5 | 0 | 0 | 0 | 112.1 | A725 L726 Q732 L733 | A725-H729 WeakPolarHBondContact O-CB 3.34Å; A725-H729 PolarHBondContact O-N 3.19Å; L726-H729 PolarHBondContact O-N 3.17Å; H729-Q732 PolarHBondContact ND1-OE1 2.81Å; H729-Q732 PolarHBondContact O-N 2.72Å; H729-L733 WeakPolarHBondContact O-CB 3.38Å; H729-L733 WeakPolarHBondContact O-CG 3.23Å; H729-L733 PolarHBondContact O-N 3.43Å |
| 730 | V | 83.4 | Confident | 83.2 | Confident | 75 Ų | 75 | 99 Ų | 99 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 173.1 | 167.1 | 0 | 0 | 0 | 0 | 111.1 | L726 E728 L733 Q734 | L726-V730 WeakPolarHBondContact O-CB 3.42Å; L726-V730 VanDerWaalsContact O-CG2 3.29Å; L726-V730 WeakPolarHBondContact O-CG2 3.5Å; L726-V730 PolarHBondContact O-N 2.72Å; E728-V730 VanDerWaalsContact C-N 3.33Å; E728-V730 PolarHBondContact O-N 2.75Å; V730-L733 PolarHBondContact O-N 3.39Å; V730-Q734 HydrophobicContact CG1-CG 4.49Å; V730-Q734 WeakPolarHBondContact O-CB 3.39Å; V730-Q734 VanDerWaalsContact O-CG 3.26Å; V730-Q734 WeakPolarHBondContact O-CG 3.43Å; V730-Q734 PolarHBondContact O-N 3.37Å |
| 731 | K | 86.1 | Confident | 82.8 | Confident | 129 Ų | 129 | 102.1 Ų | 102.1 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.9 | -42.6 | 172.6 | -72.4 | 166.7 | -173.8 | 165.4 | 0 | 112.1 | E727 E728 Q734 M735 | E727-K731 WeakPolarHBondContact O-CG 3.48Å; E727-K731 PolarHBondContact O-N 2.91Å; E727-K731 VanDerWaalsContact O-N 3.13Å; E728-K731 WeakPolarHBondContact O-CB 3.19Å; E728-K731 PolarHBondContact O-N 3.5Å; K731-Q734 PolarHBondContact O-N 2.97Å; K731-M735 WeakPolarHBondContact O-CB 3.48Å; K731-M735 PolarHBondContact O-N 3.27Å |
| 732 | Q | 84.2 | Confident | 82.2 | Confident | 98 Ų | 98 | 101.6 Ų | 101.6 | 46% | 0.458 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 174.8 | -74.6 | 178.5 | -23.8 | 0 | 0 | 111.7 | E728 H729 M735 Q736 | E728-Q732 PolarHBondContact O-N 3.09Å; H729-Q732 PolarHBondContact ND1-OE1 2.81Å; H729-Q732 PolarHBondContact O-N 2.72Å; Q732-M735 PolarHBondContact O-N 3.11Å; Q732-Q736 WeakPolarHBondContact O-CB 3.45Å; Q732-Q736 WeakPolarHBondContact O-CG 3.32Å; Q732-Q736 PolarHBondContact O-N 3.35Å |
| 733 | L | 79.6 | Confident | 81.6 | Confident | 93 Ų | 93 | 98.2 Ų | 98.2 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65 | -39.5 | 176.5 | -72.2 | 168.8 | 0 | 0 | 0 | 112.1 | H729 V730 M735 Q736 I737 | H729-L733 WeakPolarHBondContact O-CB 3.38Å; H729-L733 WeakPolarHBondContact O-CG 3.23Å; H729-L733 PolarHBondContact O-N 3.43Å; V730-L733 PolarHBondContact O-N 3.39Å; L733-M735 VanDerWaalsContact C-N 3.34Å; L733-M735 PolarHBondContact O-N 2.87Å; L733-Q736 PolarHBondContact O-N 2.89Å; L733-I737 WeakPolarHBondContact O-CB 3.41Å; L733-I737 WeakPolarHBondContact O-CD1 3.43Å; L733-I737 VanDerWaalsContact O-CG1 3.23Å; L733-I737 WeakPolarHBondContact O-CG1 3.42Å; L733-I737 PolarHBondContact O-N 3.29Å |
| 734 | Q | 82.7 | Confident | 80.7 | Confident | 109 Ų | 109 | 95.5 Ų | 95.5 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 172.7 | -76.3 | 172.5 | -8.7 | 0 | 0 | 112 | V730 K731 I737 Q738 | V730-Q734 HydrophobicContact CG1-CG 4.49Å; V730-Q734 WeakPolarHBondContact O-CB 3.39Å; V730-Q734 VanDerWaalsContact O-CG 3.26Å; V730-Q734 WeakPolarHBondContact O-CG 3.43Å; V730-Q734 PolarHBondContact O-N 3.37Å; K731-Q734 PolarHBondContact O-N 2.97Å; Q734-I737 PolarHBondContact O-N 2.85Å; Q734-Q738 WeakPolarHBondContact O-CG 3.43Å; Q734-Q738 PolarHBondContact O-N 3.11Å |
| 735 | M | 81.2 | Confident | 79.8 | Confident | 105 Ų | 105 | 95.1 Ų | 95.1 | 52% | 0.517 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.3 | -42.8 | 176.6 | -160.8 | 179.3 | 82.4 | 0 | 0 | 111.6 | K731 Q732 L733 I737 Q738 E739 | K731-M735 WeakPolarHBondContact O-CB 3.48Å; K731-M735 PolarHBondContact O-N 3.27Å; Q732-M735 PolarHBondContact O-N 3.11Å; L733-M735 VanDerWaalsContact C-N 3.34Å; L733-M735 PolarHBondContact O-N 2.87Å; M735-I737 VanDerWaalsContact C-N 3.3Å; M735-I737 PolarHBondContact O-N 2.84Å; M735-Q738 PolarHBondContact O-N 3.1Å; M735-Q738 VanDerWaalsContact O-N 3.15Å; M735-E739 WeakPolarHBondContact O-CG 3.3Å; M735-E739 PolarHBondContact O-N 3.4Å |
| 736 | Q | 80.6 | Confident | 79 | Confident | 113 Ų | 113 | 98.2 Ų | 98.2 | 53% | 0.528 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.3 | -35.4 | 173.3 | -75.4 | -179.7 | -7.7 | 0 | 0 | 112.6 | Q732 L733 A740 | Q732-Q736 WeakPolarHBondContact O-CB 3.45Å; Q732-Q736 WeakPolarHBondContact O-CG 3.32Å; Q732-Q736 PolarHBondContact O-N 3.35Å; L733-Q736 PolarHBondContact O-N 2.89Å; Q736-A740 WeakPolarHBondContact O-CB 3.5Å; Q736-A740 PolarHBondContact O-N 3.19Å |
| 737 | I | 78.2 | Confident | 78.4 | Confident | 95 Ų | 95 | 95.1 Ų | 95.1 | 49% | 0.487 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -45.9 | 172 | -72.8 | 163.8 | 0 | 0 | 0 | 110.1 | L733 Q734 M735 E739 A740 E741 | L733-I737 WeakPolarHBondContact O-CB 3.41Å; L733-I737 WeakPolarHBondContact O-CD1 3.43Å; L733-I737 VanDerWaalsContact O-CG1 3.23Å; L733-I737 WeakPolarHBondContact O-CG1 3.42Å; L733-I737 PolarHBondContact O-N 3.29Å; Q734-I737 PolarHBondContact O-N 2.85Å; M735-I737 VanDerWaalsContact C-N 3.3Å; M735-I737 PolarHBondContact O-N 2.84Å; I737-E739 PolarHBondContact O-N 2.88Å; I737-A740 PolarHBondContact O-N 2.88Å; I737-E741 HydrophobicContact CG2-CG 4.27Å; I737-E741 WeakPolarHBondContact O-CB 3.44Å; I737-E741 VanDerWaalsContact O-CG 3.3Å; I737-E741 WeakPolarHBondContact O-CG 3.23Å; I737-E741 PolarHBondContact O-N 3.45Å |
| 738 | Q | 79 | Confident | 77.7 | Confident | 130 Ų | 130 | 92.6 Ų | 92.6 | 61% | 0.607 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.7 | -39.2 | 176.5 | -71.4 | 175.1 | 4.9 | 0 | 0 | 112.6 | Q734 M735 A742 | Q734-Q738 WeakPolarHBondContact O-CG 3.43Å; Q734-Q738 PolarHBondContact O-N 3.11Å; M735-Q738 PolarHBondContact O-N 3.1Å; M735-Q738 VanDerWaalsContact O-N 3.15Å; Q738-A742 VanDerWaalsContact O-CB 3.28Å; Q738-A742 WeakPolarHBondContact O-CB 3.34Å; Q738-A742 PolarHBondContact O-N 3.05Å |
| 739 | E | 79.2 | Confident | 77.2 | Confident | 113 Ų | 113 | 93.3 Ų | 93.3 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 173.6 | -72.5 | 178.3 | 167.6 | 0 | 0 | 111.8 | M735 I737 A742 A743 | M735-E739 WeakPolarHBondContact O-CG 3.3Å; M735-E739 PolarHBondContact O-N 3.4Å; I737-E739 PolarHBondContact O-N 2.88Å; E739-A742 PolarHBondContact O-N 3.2Å; E739-A743 VanDerWaalsContact O-CB 3.29Å; E739-A743 WeakPolarHBondContact O-CB 3.41Å; E739-A743 PolarHBondContact O-N 3.39Å |
| 740 | A | 76.3 | Confident | 76.8 | Confident | 60 Ų | 60 | 97.3 Ų | 97.3 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.1 | -38.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q736 I737 A743 A744 | Q736-A740 WeakPolarHBondContact O-CB 3.5Å; Q736-A740 PolarHBondContact O-N 3.19Å; I737-A740 PolarHBondContact O-N 2.88Å; A740-A743 PolarHBondContact O-N 3.06Å; A740-A744 WeakPolarHBondContact O-CB 3.35Å; A740-A744 PolarHBondContact O-N 2.84Å |
| 741 | E | 77.1 | Confident | 76.4 | Confident | 117 Ų | 117 | 97.7 Ų | 97.7 | 55% | 0.547 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.9 | -41.6 | 173.5 | -75.9 | 179.9 | 163.5 | 0 | 0 | 111.4 | I737 A744 L745 | I737-E741 HydrophobicContact CG2-CG 4.27Å; I737-E741 WeakPolarHBondContact O-CB 3.44Å; I737-E741 VanDerWaalsContact O-CG 3.3Å; I737-E741 WeakPolarHBondContact O-CG 3.23Å; I737-E741 PolarHBondContact O-N 3.45Å; E741-A744 CarbonylContact O-C 3.59Å; E741-A744 PolarHBondContact O-N 3.01Å; E741-L745 WeakPolarHBondContact O-CB 3.35Å; E741-L745 WeakPolarHBondContact O-CG 3.33Å; E741-L745 PolarHBondContact O-N 2.75Å |
| 742 | A | 74.7 | Confident | 75.9 | Confident | 48 Ų | 48 | 95.9 Ų | 95.9 | 40% | 0.397 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q738 E739 L745 L746 | Q738-A742 VanDerWaalsContact O-CB 3.28Å; Q738-A742 WeakPolarHBondContact O-CB 3.34Å; Q738-A742 PolarHBondContact O-N 3.05Å; E739-A742 PolarHBondContact O-N 3.2Å; A742-L745 PolarHBondContact O-N 2.62Å; A742-L746 PolarHBondContact O-N 3.18Å |
| 743 | A | 73.1 | Confident | 75.6 | Confident | 60 Ų | 60 | 93.4 Ų | 93.4 | 50% | 0.496 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E739 A740 L746 G747 | E739-A743 VanDerWaalsContact O-CB 3.29Å; E739-A743 WeakPolarHBondContact O-CB 3.41Å; E739-A743 PolarHBondContact O-N 3.39Å; A740-A743 PolarHBondContact O-N 3.06Å; A743-L746 PolarHBondContact O-N 3.02Å; A743-G747 PolarHBondContact O-N 2.74Å |
| 744 | A | 70.7 | Confident | 75.6 | Confident | 67 Ų | 67 | 96.6 Ų | 96.6 | 55% | 0.554 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.9 | -33 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A740 E741 G748 | A740-A744 WeakPolarHBondContact O-CB 3.35Å; A740-A744 PolarHBondContact O-N 2.84Å; E741-A744 CarbonylContact O-C 3.59Å; E741-A744 PolarHBondContact O-N 3.01Å; A744-G748 VanDerWaalsContact O-CA 3.3Å; A744-G748 WeakPolarHBondContact O-CA 3.38Å; A744-G748 PolarHBondContact O-N 3.19Å |
| 745 | L | 69.2 | Low | 75.5 | Confident | 109 Ų | 109 | 96 Ų | 96 | 57% | 0.571 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.6 | -38.7 | 171.4 | -87.9 | 160.3 | 0 | 0 | 0 | 112.2 | E741 A742 K749 | E741-L745 WeakPolarHBondContact O-CB 3.35Å; E741-L745 WeakPolarHBondContact O-CG 3.33Å; E741-L745 PolarHBondContact O-N 2.75Å; A742-L745 PolarHBondContact O-N 2.62Å; L745-K749 WeakPolarHBondContact O-CB 3.43Å; L745-K749 VanDerWaalsContact O-CG 3.25Å; L745-K749 WeakPolarHBondContact O-CG 3.33Å; L745-K749 PolarHBondContact O-N 3.47Å |
| 746 | L | 67.9 | Low | 75.5 | Confident | 121 Ų | 121 | 95.4 Ų | 95.4 | 63% | 0.634 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -72.2 | -43.1 | 175.3 | -79.9 | 160.8 | 0 | 0 | 0 | 112.3 | A742 A743 R750 | A742-L746 PolarHBondContact O-N 3.18Å; A743-L746 PolarHBondContact O-N 3.02Å; L746-R750 PolarHBondContact O-N 3.24Å |
| 747 | G | 70.8 | Confident | 75.4 | Confident | 33 Ų | 33 | 93.1 Ų | 93.1 | 34% | 0.34 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | A743 R750 V751 | A743-G747 PolarHBondContact O-N 2.74Å; G747-R750 CarbonylContact O-C 3.48Å; G747-R750 WeakPolarHBondContact O-CB 3.33Å; G747-R750 PolarHBondContact O-N 3.21Å; G747-R750 VanDerWaalsContact O-N 3.13Å; G747-V751 WeakPolarHBondContact O-CG2 3.24Å; G747-V751 PolarHBondContact O-N 3.23Å |
| 748 | G | 71.6 | Confident | 75.6 | Confident | 26 Ų | 26 | 96.5 Ų | 96.5 | 27% | 0.268 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.2 | -48.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | A744 R750 V751 I752 | A744-G748 VanDerWaalsContact O-CA 3.3Å; A744-G748 WeakPolarHBondContact O-CA 3.38Å; A744-G748 PolarHBondContact O-N 3.19Å; G748-R750 VanDerWaalsContact C-N 3.32Å; G748-R750 PolarHBondContact O-N 2.94Å; G748-V751 PolarHBondContact O-N 3.29Å; G748-V751 VanDerWaalsContact O-N 3.15Å; G748-I752 WeakPolarHBondContact O-CB 3.39Å; G748-I752 VanDerWaalsContact O-CG1 3.24Å; G748-I752 WeakPolarHBondContact O-CG1 3.3Å; G748-I752 PolarHBondContact O-N 3.01Å |
| 749 | K | 72.6 | Confident | 75.7 | Confident | 142 Ų | 142 | 94.5 Ų | 94.5 | 62% | 0.617 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.8 | -38 | 173.6 | -77.5 | 172.5 | 179.5 | 177.7 | 0 | 112.8 | L745 A753 | L745-K749 WeakPolarHBondContact O-CB 3.43Å; L745-K749 VanDerWaalsContact O-CG 3.25Å; L745-K749 WeakPolarHBondContact O-CG 3.33Å; L745-K749 PolarHBondContact O-N 3.47Å; K749-A753 VanDerWaalsContact O-CB 3.29Å; K749-A753 WeakPolarHBondContact O-CB 3.24Å; K749-A753 PolarHBondContact O-N 3.5Å |
| 750 | R | 74.6 | Confident | 75.8 | Confident | 201 Ų | 201 | 95 Ų | 95 | 76% | 0.758 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.9 | -37.3 | 173.4 | -85.6 | -179.3 | 165.7 | 176 | -2.7 | 113.2 | L746 G747 G748 K754 | L746-R750 PolarHBondContact O-N 3.24Å; G747-R750 CarbonylContact O-C 3.48Å; G747-R750 WeakPolarHBondContact O-CB 3.33Å; G747-R750 PolarHBondContact O-N 3.21Å; G747-R750 VanDerWaalsContact O-N 3.13Å; G748-R750 VanDerWaalsContact C-N 3.32Å; G748-R750 PolarHBondContact O-N 2.94Å; R750-K754 WeakPolarHBondContact O-CG 3.36Å; R750-K754 PolarHBondContact O-N 3.26Å; R750-K754 VanDerWaalsContact O-N 3.14Å |
| 751 | V | 75.6 | Confident | 76 | Confident | 83 Ų | 83 | 96.4 Ų | 96.4 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.9 | -43.8 | 176.4 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | G747 G748 K754 L755 | G747-V751 WeakPolarHBondContact O-CG2 3.24Å; G747-V751 PolarHBondContact O-N 3.23Å; G748-V751 PolarHBondContact O-N 3.29Å; G748-V751 VanDerWaalsContact O-N 3.15Å; V751-K754 CarbonylContact O-C 3.53Å; V751-K754 WeakPolarHBondContact O-CB 3.48Å; V751-K754 PolarHBondContact O-N 3.4Å; V751-L755 HydrophobicContact CG1-CD1 3.87Å; V751-L755 HydrophobicContact CG1-CG 4.29Å; V751-L755 WeakPolarHBondContact O-CB 3.39Å; V751-L755 WeakPolarHBondContact O-CG 3.35Å; V751-L755 PolarHBondContact O-N 3.37Å |
| 752 | I | 75.1 | Confident | 76.2 | Confident | 90 Ų | 90 | 95.9 Ų | 95.9 | 46% | 0.462 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.8 | -49.5 | 174.2 | -69.3 | 164.9 | 0 | 0 | 0 | 110.1 | G748 K754 L755 E756 | G748-I752 WeakPolarHBondContact O-CB 3.39Å; G748-I752 VanDerWaalsContact O-CG1 3.24Å; G748-I752 WeakPolarHBondContact O-CG1 3.3Å; G748-I752 PolarHBondContact O-N 3.01Å; I752-K754 VanDerWaalsContact C-N 3.27Å; I752-K754 PolarHBondContact O-N 3.47Å; I752-L755 CarbonylContact O-C 3.57Å; I752-L755 WeakPolarHBondContact O-CA 3.46Å; I752-L755 PolarHBondContact O-N 3.36Å; I752-E756 HydrophobicContact CG2-CG 4.19Å; I752-E756 WeakPolarHBondContact CG2-OE1 3.48Å; I752-E756 WeakPolarHBondContact O-CB 3.4Å; I752-E756 WeakPolarHBondContact O-CG 3.25Å; I752-E756 PolarHBondContact O-N 2.91Å |
| 753 | A | 78.4 | Confident | 76.5 | Confident | 46 Ų | 46 | 98.8 Ų | 98.8 | 38% | 0.38 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.9 | -35.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | K749 T757 | K749-A753 VanDerWaalsContact O-CB 3.29Å; K749-A753 WeakPolarHBondContact O-CB 3.24Å; K749-A753 PolarHBondContact O-N 3.5Å; A753-T757 WeakPolarHBondContact O-CB 3.35Å; A753-T757 PolarHBondContact O-N 3.2Å; A753-T757 PolarHBondContact O-OG1 3.21Å |
| 754 | K | 80 | Confident | 76.9 | Confident | 160 Ų | 160 | 102.3 Ų | 102.3 | 70% | 0.696 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.9 | -40.6 | 171 | -79.5 | -177.7 | 175.4 | -174.5 | 0 | 112.4 | R750 V751 I752 T757 R758 | R750-K754 WeakPolarHBondContact O-CG 3.36Å; R750-K754 PolarHBondContact O-N 3.26Å; R750-K754 VanDerWaalsContact O-N 3.14Å; V751-K754 CarbonylContact O-C 3.53Å; V751-K754 WeakPolarHBondContact O-CB 3.48Å; V751-K754 PolarHBondContact O-N 3.4Å; I752-K754 VanDerWaalsContact C-N 3.27Å; I752-K754 PolarHBondContact O-N 3.47Å; K754-T757 PolarHBondContact O-N 2.93Å; K754-R758 VanDerWaalsContact O-CB 3.24Å; K754-R758 WeakPolarHBondContact O-CB 3.36Å; K754-R758 PolarHBondContact O-N 3.26Å |
| 755 | L | 80.8 | Confident | 77.3 | Confident | 98 Ų | 98 | 101.6 Ų | 101.6 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.8 | -39.9 | 177.7 | -72.5 | 172 | 0 | 0 | 0 | 111.9 | V751 I752 T757 R758 I759 | V751-L755 HydrophobicContact CG1-CD1 3.87Å; V751-L755 HydrophobicContact CG1-CG 4.29Å; V751-L755 WeakPolarHBondContact O-CB 3.39Å; V751-L755 WeakPolarHBondContact O-CG 3.35Å; V751-L755 PolarHBondContact O-N 3.37Å; I752-L755 CarbonylContact O-C 3.57Å; I752-L755 WeakPolarHBondContact O-CA 3.46Å; I752-L755 PolarHBondContact O-N 3.36Å; L755-T757 VanDerWaalsContact C-N 3.35Å; L755-R758 CarbonylContact O-C 3.56Å; L755-R758 WeakPolarHBondContact O-CB 3.23Å; L755-R758 PolarHBondContact O-N 3.06Å; L755-I759 WeakPolarHBondContact O-CB 3.36Å; L755-I759 WeakPolarHBondContact O-CD1 3.45Å; L755-I759 WeakPolarHBondContact O-CG1 3.43Å; L755-I759 PolarHBondContact O-N 3.48Å |
| 756 | E | 79.7 | Confident | 77.7 | Confident | 91 Ų | 91 | 101.8 Ų | 101.8 | 43% | 0.425 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 171.6 | -73.5 | 177.8 | -166 | 0 | 0 | 111.8 | I752 I759 R760 | I752-E756 HydrophobicContact CG2-CG 4.19Å; I752-E756 WeakPolarHBondContact CG2-OE1 3.48Å; I752-E756 WeakPolarHBondContact O-CB 3.4Å; I752-E756 WeakPolarHBondContact O-CG 3.25Å; I752-E756 PolarHBondContact O-N 2.91Å; E756-I759 PolarHBondContact O-N 3.33Å; E756-R760 WeakPolarHBondContact O-CG 3.34Å; E756-R760 PolarHBondContact O-N 3.28Å; E756-R760 IonicContact OE2-NH2 3.78Å; E756-R760 PolarHBondContact OE2-NH2 3.5Å |
| 757 | T | 79.8 | Confident | 78.2 | Confident | 66 Ų | 66 | 101.7 Ų | 101.7 | 41% | 0.405 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.7 | -45.3 | 175.3 | -52.5 | 0 | 0 | 0 | 0 | 110 | A753 K754 L755 I759 R760 D761 | A753-T757 WeakPolarHBondContact O-CB 3.35Å; A753-T757 PolarHBondContact O-N 3.2Å; A753-T757 PolarHBondContact O-OG1 3.21Å; K754-T757 PolarHBondContact O-N 2.93Å; L755-T757 VanDerWaalsContact C-N 3.35Å; T757-I759 VanDerWaalsContact C-N 3.26Å; T757-I759 PolarHBondContact O-N 2.83Å; T757-R760 PolarHBondContact O-N 2.89Å; T757-R760 VanDerWaalsContact O-N 3.16Å; T757-D761 PolarHBondContact O-N 2.81Å |
| 758 | R | 82.7 | Confident | 78.6 | Confident | 165 Ų | 165 | 104.4 Ų | 104.4 | 62% | 0.623 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.1 | -34 | 173.7 | -168.2 | 71.9 | 166.4 | -144.3 | -3 | 112.6 | K754 L755 L762 | K754-R758 VanDerWaalsContact O-CB 3.24Å; K754-R758 WeakPolarHBondContact O-CB 3.36Å; K754-R758 PolarHBondContact O-N 3.26Å; L755-R758 CarbonylContact O-C 3.56Å; L755-R758 WeakPolarHBondContact O-CB 3.23Å; L755-R758 PolarHBondContact O-N 3.06Å; R758-L762 HydrophobicContact CG-CD1 4.17Å; R758-L762 VanDerWaalsContact O-CB 3.27Å; R758-L762 WeakPolarHBondContact O-CB 3.25Å; R758-L762 WeakPolarHBondContact O-CD1 3.28Å; R758-L762 WeakPolarHBondContact O-CG 3.5Å; R758-L762 PolarHBondContact O-N 2.77Å |
| 759 | I | 79.8 | Confident | 78.8 | Confident | 88 Ų | 88 | 107.9 Ų | 107.9 | 45% | 0.451 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.8 | -49.4 | 174.5 | -76.5 | 162.4 | 0 | 0 | 0 | 109.1 | L755 E756 T757 D761 L762 E763 | L755-I759 WeakPolarHBondContact O-CB 3.36Å; L755-I759 WeakPolarHBondContact O-CD1 3.45Å; L755-I759 WeakPolarHBondContact O-CG1 3.43Å; L755-I759 PolarHBondContact O-N 3.48Å; E756-I759 PolarHBondContact O-N 3.33Å; T757-I759 VanDerWaalsContact C-N 3.26Å; T757-I759 PolarHBondContact O-N 2.83Å; I759-D761 VanDerWaalsContact C-N 3.31Å; I759-D761 PolarHBondContact O-N 3.29Å; I759-L762 CarbonylContact O-C 3.57Å; I759-L762 PolarHBondContact O-N 3.02Å; I759-E763 HydrophobicContact CG2-CG 4.14Å; I759-E763 WeakPolarHBondContact O-CB 3.22Å; I759-E763 VanDerWaalsContact O-CG 3.26Å; I759-E763 WeakPolarHBondContact O-CG 3.32Å; I759-E763 PolarHBondContact O-N 2.62Å |
| 760 | R | 81.2 | Confident | 79 | Confident | 124 Ų | 124 | 103.5 Ų | 103.5 | 47% | 0.468 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59 | -40.3 | 173.9 | -66.3 | 179.5 | -151.1 | 105 | 8.9 | 112.4 | E756 T757 L762 E763 M764 | E756-R760 WeakPolarHBondContact O-CG 3.34Å; E756-R760 PolarHBondContact O-N 3.28Å; E756-R760 IonicContact OE2-NH2 3.78Å; E756-R760 PolarHBondContact OE2-NH2 3.5Å; T757-R760 PolarHBondContact O-N 2.89Å; T757-R760 VanDerWaalsContact O-N 3.16Å; R760-L762 VanDerWaalsContact C-N 3.34Å; R760-L762 PolarHBondContact O-N 3.4Å; R760-E763 PolarHBondContact O-N 3.1Å; R760-M764 WeakPolarHBondContact O-CB 3.46Å; R760-M764 VanDerWaalsContact O-CG 3.31Å; R760-M764 WeakPolarHBondContact O-CG 3.4Å; R760-M764 PolarHBondContact O-N 3.34Å |
| 761 | D | 81.3 | Confident | 79.2 | Confident | 90 Ų | 90 | 101.3 Ų | 101.3 | 48% | 0.481 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 174.8 | -63.5 | -29.9 | 0 | 0 | 0 | 111.5 | T757 I759 A765 | T757-D761 PolarHBondContact O-N 2.81Å; I759-D761 VanDerWaalsContact C-N 3.31Å; I759-D761 PolarHBondContact O-N 3.29Å; D761-A765 VanDerWaalsContact O-CB 3.24Å; D761-A765 WeakPolarHBondContact O-CB 3.39Å; D761-A765 PolarHBondContact O-N 2.82Å |
| 762 | L | 81.3 | Confident | 79.3 | Confident | 105 Ų | 105 | 103.2 Ų | 103.2 | 55% | 0.55 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -76.3 | -32.4 | 177.6 | -75 | 168.8 | 0 | 0 | 0 | 113 | R758 I759 R760 A765 L766 | R758-L762 HydrophobicContact CG-CD1 4.17Å; R758-L762 VanDerWaalsContact O-CB 3.27Å; R758-L762 WeakPolarHBondContact O-CB 3.25Å; R758-L762 WeakPolarHBondContact O-CD1 3.28Å; R758-L762 WeakPolarHBondContact O-CG 3.5Å; R758-L762 PolarHBondContact O-N 2.77Å; I759-L762 CarbonylContact O-C 3.57Å; I759-L762 PolarHBondContact O-N 3.02Å; R760-L762 VanDerWaalsContact C-N 3.34Å; R760-L762 PolarHBondContact O-N 3.4Å; L762-A765 PolarHBondContact O-N 2.76Å; L762-L766 VanDerWaalsContact O-CB 3.22Å; L762-L766 WeakPolarHBondContact O-CB 3.48Å; L762-L766 PolarHBondContact O-N 2.97Å |
| 763 | E | 80.2 | Confident | 79.4 | Confident | 109 Ų | 109 | 103.9 Ų | 103.9 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.3 | -45.8 | 172.3 | -73.5 | 170.2 | 149.9 | 0 | 0 | 109.9 | I759 R760 A765 L766 D767 | I759-E763 HydrophobicContact CG2-CG 4.14Å; I759-E763 WeakPolarHBondContact O-CB 3.22Å; I759-E763 VanDerWaalsContact O-CG 3.26Å; I759-E763 WeakPolarHBondContact O-CG 3.32Å; I759-E763 PolarHBondContact O-N 2.62Å; R760-E763 PolarHBondContact O-N 3.1Å; E763-A765 VanDerWaalsContact C-N 3.34Å; E763-A765 PolarHBondContact O-N 3.01Å; E763-L766 CarbonylContact O-C 3.6Å; E763-L766 PolarHBondContact O-N 3.27Å; E763-L766 VanDerWaalsContact O-N 3.16Å; E763-D767 PolarHBondContact O-N 3.06Å |
| 764 | M | 81.9 | Confident | 79.3 | Confident | 135 Ų | 135 | 108.1 Ų | 108.1 | 67% | 0.665 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.5 | -40.7 | 170.9 | -75.7 | -179.1 | 59.4 | 0 | 0 | 111.9 | R760 L766 D767 E768 | R760-M764 WeakPolarHBondContact O-CB 3.46Å; R760-M764 VanDerWaalsContact O-CG 3.31Å; R760-M764 WeakPolarHBondContact O-CG 3.4Å; R760-M764 PolarHBondContact O-N 3.34Å; M764-L766 VanDerWaalsContact C-N 3.32Å; M764-D767 PolarHBondContact O-N 3.31Å; M764-E768 VanDerWaalsContact O-CB 3.25Å; M764-E768 WeakPolarHBondContact O-CB 3.15Å; M764-E768 PolarHBondContact O-N 3.21Å |
| 765 | A | 79 | Confident | 79.2 | Confident | 51 Ų | 51 | 106.1 Ų | 106.1 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67 | -32.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D761 L762 E763 E769 | D761-A765 VanDerWaalsContact O-CB 3.24Å; D761-A765 WeakPolarHBondContact O-CB 3.39Å; D761-A765 PolarHBondContact O-N 2.82Å; L762-A765 PolarHBondContact O-N 2.76Å; E763-A765 VanDerWaalsContact C-N 3.34Å; E763-A765 PolarHBondContact O-N 3.01Å; A765-E769 WeakPolarHBondContact O-CB 3.45Å; A765-E769 PolarHBondContact O-N 3.45Å |
| 766 | L | 76.9 | Confident | 78.9 | Confident | 113 Ų | 113 | 105.4 Ų | 105.4 | 59% | 0.592 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -74.6 | -36.1 | 175.4 | -177.5 | 63.7 | 0 | 0 | 0 | 111.8 | L762 E763 M764 T770 | L762-L766 VanDerWaalsContact O-CB 3.22Å; L762-L766 WeakPolarHBondContact O-CB 3.48Å; L762-L766 PolarHBondContact O-N 2.97Å; E763-L766 CarbonylContact O-C 3.6Å; E763-L766 PolarHBondContact O-N 3.27Å; E763-L766 VanDerWaalsContact O-N 3.16Å; M764-L766 VanDerWaalsContact C-N 3.32Å; L766-T770 HydrophobicContact CD1-CG2 4.16Å; L766-T770 HydrophobicContact CG-CG2 4.46Å; L766-T770 VanDerWaalsContact O-CB 3.3Å; L766-T770 WeakPolarHBondContact O-CB 3.33Å; L766-T770 WeakPolarHBondContact O-CG2 3.41Å; L766-T770 PolarHBondContact O-N 3Å; L766-T770 PolarHBondContact O-OG1 3.39Å |
| 767 | D | 78.3 | Confident | 78.7 | Confident | 119 Ų | 119 | 104.9 Ų | 104.9 | 64% | 0.636 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.9 | -43.6 | 170.8 | -98.5 | -11.3 | 0 | 0 | 0 | 111.1 | E763 M764 T770 R771 | E763-D767 PolarHBondContact O-N 3.06Å; M764-D767 PolarHBondContact O-N 3.31Å; D767-T770 PolarHBondContact O-OG1 3.36Å; D767-R771 WeakPolarHBondContact O-CB 3.44Å; D767-R771 PolarHBondContact O-N 2.73Å |
| 768 | E | 79.5 | Confident | 78.8 | Confident | 91 Ų | 91 | 105.7 Ų | 105.7 | 43% | 0.425 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 175 | -171.8 | 64.6 | -165.9 | 0 | 0 | 111.5 | M764 R771 R772 | M764-E768 VanDerWaalsContact O-CB 3.25Å; M764-E768 WeakPolarHBondContact O-CB 3.15Å; M764-E768 PolarHBondContact O-N 3.21Å; E768-R771 WeakPolarHBondContact O-CB 3.41Å; E768-R771 PolarHBondContact O-N 3.2Å; E768-R772 WeakPolarHBondContact O-CB 3.4Å; E768-R772 VanDerWaalsContact O-CG 3.26Å; E768-R772 WeakPolarHBondContact O-CG 3.33Å; E768-R772 PolarHBondContact O-N 2.84Å; E768-R772 IonicContact OE1-NE 2.77Å |
| 769 | E | 76 | Confident | 78.5 | Confident | 98 Ų | 98 | 100.9 Ų | 100.9 | 46% | 0.458 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -78.6 | -28.9 | 179.3 | -159.6 | 61.5 | -150.1 | 0 | 0 | 112.6 | A765 R772 H773 | A765-E769 WeakPolarHBondContact O-CB 3.45Å; A765-E769 PolarHBondContact O-N 3.45Å; E769-R772 CarbonylContact O-C 3.58Å; E769-R772 WeakPolarHBondContact OE2-CD 3.2Å; E769-R772 IonicContact OE2-CZ 3.72Å; E769-R772 IonicContact OE2-NE 2.68Å; E769-R772 IonicContact OE2-NH1 3.72Å; E769-R772 PolarHBondContact OE2-NH1 3.39Å; E769-H773 VanDerWaalsContact O-CB 3.28Å; E769-H773 WeakPolarHBondContact O-CB 3.43Å; E769-H773 PolarHBondContact O-N 3.13Å |
| 770 | T | 76.2 | Confident | 78.2 | Confident | 51 Ų | 51 | 101.6 Ų | 101.6 | 31% | 0.313 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -75.8 | -26.1 | 168.1 | 59.2 | 0 | 0 | 0 | 0 | 112.3 | L766 D767 H773 K774 | L766-T770 HydrophobicContact CD1-CG2 4.16Å; L766-T770 HydrophobicContact CG-CG2 4.46Å; L766-T770 VanDerWaalsContact O-CB 3.3Å; L766-T770 WeakPolarHBondContact O-CB 3.33Å; L766-T770 WeakPolarHBondContact O-CG2 3.41Å; L766-T770 PolarHBondContact O-N 3Å; L766-T770 PolarHBondContact O-OG1 3.39Å; D767-T770 PolarHBondContact O-OG1 3.36Å; T770-H773 PolarHBondContact O-N 3.3Å; T770-K774 WeakPolarHBondContact O-CG 3.47Å; T770-K774 PolarHBondContact O-N 3.38Å |
| 771 | R | 79.4 | Confident | 77.9 | Confident | 155 Ų | 155 | 102.4 Ų | 102.4 | 59% | 0.585 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.4 | -47.6 | 167.3 | -173.2 | 179.1 | -165.9 | 147.9 | 3.9 | 110.6 | D767 E768 H773 K774 E775 | D767-R771 WeakPolarHBondContact O-CB 3.44Å; D767-R771 PolarHBondContact O-N 2.73Å; E768-R771 WeakPolarHBondContact O-CB 3.41Å; E768-R771 PolarHBondContact O-N 3.2Å; R771-H773 VanDerWaalsContact C-N 3.29Å; R771-H773 PolarHBondContact O-N 3.44Å; R771-K774 CarbonylContact O-C 3.52Å; R771-K774 WeakPolarHBondContact O-CB 2.84Å; R771-K774 PolarHBondContact O-N 3.38Å; R771-K774 VanDerWaalsContact O-N 3.16Å; R771-E775 WeakPolarHBondContact O-CG 3.48Å; R771-E775 PolarHBondContact O-N 3Å |
| 772 | R | 78.2 | Confident | 77.8 | Confident | 123 Ų | 123 | 105.5 Ų | 105.5 | 46% | 0.464 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.4 | -33.1 | 169.2 | -70.5 | 162.6 | 178.6 | -175 | 1.6 | 112.8 | E768 E769 E775 T776 | E768-R772 WeakPolarHBondContact O-CB 3.4Å; E768-R772 VanDerWaalsContact O-CG 3.26Å; E768-R772 WeakPolarHBondContact O-CG 3.33Å; E768-R772 PolarHBondContact O-N 2.84Å; E768-R772 IonicContact OE1-NE 2.77Å; E769-R772 CarbonylContact O-C 3.58Å; E769-R772 WeakPolarHBondContact OE2-CD 3.2Å; E769-R772 IonicContact OE2-CZ 3.72Å; E769-R772 IonicContact OE2-NE 2.68Å; E769-R772 IonicContact OE2-NH1 3.72Å; E769-R772 PolarHBondContact OE2-NH1 3.39Å; R772-E775 PolarHBondContact O-N 2.93Å; R772-T776 WeakPolarHBondContact O-CB 3.46Å; R772-T776 WeakPolarHBondContact O-CG2 3.4Å; R772-T776 PolarHBondContact O-N 3.46Å; R772-T776 PolarHBondContact O-OG1 3.16Å |
| 773 | H | 76.4 | Confident | 77.5 | Confident | 104 Ų | 104 | 106.7 Ų | 106.7 | 48% | 0.481 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.5 | -38.9 | 173.6 | -165.3 | 72 | 0 | 0 | 0 | 111.5 | E769 T770 R771 T776 Q777 | E769-H773 VanDerWaalsContact O-CB 3.28Å; E769-H773 WeakPolarHBondContact O-CB 3.43Å; E769-H773 PolarHBondContact O-N 3.13Å; T770-H773 PolarHBondContact O-N 3.3Å; R771-H773 VanDerWaalsContact C-N 3.29Å; R771-H773 PolarHBondContact O-N 3.44Å; H773-T776 WeakPolarHBondContact CA-OG1 3.46Å; H773-T776 PolarHBondContact O-OG1 3.09Å; H773-Q777 PolarHBondContact CD2-NE2 3.22Å; H773-Q777 PolarHBondContact NE2-NE2 3.18Å; H773-Q777 VanDerWaalsContact O-CB 3.29Å; H773-Q777 WeakPolarHBondContact O-CB 3.34Å; H773-Q777 WeakPolarHBondContact O-CG 3.45Å; H773-Q777 PolarHBondContact O-N 3.28Å |
| 774 | K | 78 | Confident | 77.1 | Confident | 134 Ų | 134 | 106.3 Ų | 106.3 | 58% | 0.583 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.2 | -39.7 | 170.3 | -74.9 | 163.5 | -177.4 | 161.3 | 0 | 111.5 | T770 R771 N778 | T770-K774 WeakPolarHBondContact O-CG 3.47Å; T770-K774 PolarHBondContact O-N 3.38Å; R771-K774 CarbonylContact O-C 3.52Å; R771-K774 WeakPolarHBondContact O-CB 2.84Å; R771-K774 PolarHBondContact O-N 3.38Å; R771-K774 VanDerWaalsContact O-N 3.16Å; K774-N778 VanDerWaalsContact O-CB 3.23Å; K774-N778 WeakPolarHBondContact O-CB 3.39Å; K774-N778 PolarHBondContact O-N 3.35Å; K774-N778 PolarHBondContact O-ND2 2.77Å; K774-N778 VanDerWaalsContact O-ND2 3.07Å |
| 775 | E | 77.4 | Confident | 76.8 | Confident | 119 Ų | 119 | 108.3 Ų | 108.3 | 56% | 0.556 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -70.2 | -39.2 | 177 | -74 | 179.7 | -167 | 0 | 0 | 112.6 | R771 R772 N778 C779 | R771-E775 WeakPolarHBondContact O-CG 3.48Å; R771-E775 PolarHBondContact O-N 3Å; R772-E775 PolarHBondContact O-N 2.93Å; E775-N778 CarbonylContact O-C 3.52Å; E775-N778 PolarHBondContact O-N 3.28Å; E775-C779 VanDerWaalsContact O-CB 3.26Å; E775-C779 WeakPolarHBondContact O-CB 3.38Å; E775-C779 PolarHBondContact O-N 2.69Å |
| 776 | T | 74.8 | Confident | 76.7 | Confident | 83 Ų | 83 | 113.5 Ų | 113.5 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72.6 | -35.3 | 173.2 | 50.2 | 0 | 0 | 0 | 0 | 112 | R772 H773 C779 L780 | R772-T776 WeakPolarHBondContact O-CB 3.46Å; R772-T776 WeakPolarHBondContact O-CG2 3.4Å; R772-T776 PolarHBondContact O-N 3.46Å; R772-T776 PolarHBondContact O-OG1 3.16Å; H773-T776 WeakPolarHBondContact CA-OG1 3.46Å; H773-T776 PolarHBondContact O-OG1 3.09Å; T776-C779 CarbonylContact O-C 3.49Å; T776-C779 PolarHBondContact O-N 3.08Å; T776-L780 VanDerWaalsContact O-CB 3.25Å; T776-L780 WeakPolarHBondContact O-CB 3.5Å; T776-L780 PolarHBondContact O-N 3.4Å |
| 777 | Q | 75.2 | Confident | 76.5 | Confident | 80 Ų | 80 | 111.9 Ų | 111.9 | 37% | 0.374 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65 | -37.7 | 167.4 | -79.5 | -163.5 | 20.5 | 0 | 0 | 112.2 | H773 L780 R781 | H773-Q777 PolarHBondContact CD2-NE2 3.22Å; H773-Q777 PolarHBondContact NE2-NE2 3.18Å; H773-Q777 VanDerWaalsContact O-CB 3.29Å; H773-Q777 WeakPolarHBondContact O-CB 3.34Å; H773-Q777 WeakPolarHBondContact O-CG 3.45Å; H773-Q777 PolarHBondContact O-N 3.28Å; Q777-L780 PolarHBondContact O-N 3.32Å; Q777-R781 WeakPolarHBondContact O-CB 3.48Å; Q777-R781 VanDerWaalsContact O-CG 3.29Å; Q777-R781 WeakPolarHBondContact O-CG 3.46Å; Q777-R781 PolarHBondContact O-N 3.43Å |
| 778 | N | 80.7 | Confident | 76.3 | Confident | 83 Ų | 83 | 113.4 Ų | 113.4 | 44% | 0.444 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.7 | -33.4 | 174.6 | -76.3 | -33.1 | 0 | 0 | 0 | 111.8 | K774 E775 K782 | K774-N778 VanDerWaalsContact O-CB 3.23Å; K774-N778 WeakPolarHBondContact O-CB 3.39Å; K774-N778 PolarHBondContact O-N 3.35Å; K774-N778 PolarHBondContact O-ND2 2.77Å; K774-N778 VanDerWaalsContact O-ND2 3.07Å; E775-N778 CarbonylContact O-C 3.52Å; E775-N778 PolarHBondContact O-N 3.28Å; N778-K782 WeakPolarHBondContact O-CB 3.3Å; N778-K782 VanDerWaalsContact O-CG 3.31Å; N778-K782 WeakPolarHBondContact O-CG 3.47Å; N778-K782 PolarHBondContact O-N 2.85Å |
| 779 | C | 76.9 | Confident | 76.1 | Confident | 64 Ų | 64 | 114.4 Ų | 114.4 | 43% | 0.432 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.7 | -40.7 | 171.3 | -165.4 | 0 | 0 | 0 | 0 | 110.9 | E775 T776 K782 K783 | E775-C779 VanDerWaalsContact O-CB 3.26Å; E775-C779 WeakPolarHBondContact O-CB 3.38Å; E775-C779 PolarHBondContact O-N 2.69Å; T776-C779 CarbonylContact O-C 3.49Å; T776-C779 PolarHBondContact O-N 3.08Å; C779-K782 CarbonylContact O-C 3.59Å; C779-K782 WeakPolarHBondContact O-CB 3.39Å; C779-K782 PolarHBondContact O-N 2.7Å; C779-K783 WeakPolarHBondContact O-CB 3.21Å; C779-K783 VanDerWaalsContact O-CG 3.24Å; C779-K783 WeakPolarHBondContact O-CG 3.26Å; C779-K783 PolarHBondContact O-N 3.03Å |
| 780 | L | 72.7 | Confident | 75.8 | Confident | 102 Ų | 102 | 114.6 Ų | 114.6 | 53% | 0.534 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.8 | -51 | 172.6 | -164.4 | 78.8 | 0 | 0 | 0 | 109.2 | T776 Q777 K782 K783 E784 | T776-L780 VanDerWaalsContact O-CB 3.25Å; T776-L780 WeakPolarHBondContact O-CB 3.5Å; T776-L780 PolarHBondContact O-N 3.4Å; Q777-L780 PolarHBondContact O-N 3.32Å; L780-K782 VanDerWaalsContact C-N 3.3Å; L780-K782 PolarHBondContact O-N 3Å; L780-K783 CarbonylContact O-C 3.5Å; L780-K783 WeakPolarHBondContact O-CA 3.46Å; L780-K783 WeakPolarHBondContact O-CB 3.48Å; L780-K783 PolarHBondContact O-N 3.49Å; L780-E784 HydrophobicContact CG-CG 4.39Å; L780-E784 WeakPolarHBondContact O-CB 3.45Å; L780-E784 WeakPolarHBondContact O-CG 3.42Å; L780-E784 PolarHBondContact O-N 3.46Å |
| 781 | R | 76.5 | Confident | 75.5 | Confident | 141 Ų | 141 | 116.9 Ų | 116.9 | 53% | 0.532 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59 | -35.1 | 174 | -73.8 | 170.3 | 174.4 | 178.6 | -1.4 | 113.5 | Q777 E784 R785 | Q777-R781 WeakPolarHBondContact O-CB 3.48Å; Q777-R781 VanDerWaalsContact O-CG 3.29Å; Q777-R781 WeakPolarHBondContact O-CG 3.46Å; Q777-R781 PolarHBondContact O-N 3.43Å; R781-E784 WeakPolarHBondContact CA-OE2 3.36Å; R781-R785 WeakPolarHBondContact O-CB 3.36Å; R781-R785 VanDerWaalsContact O-CG 3.29Å; R781-R785 WeakPolarHBondContact O-CG 3.36Å; R781-R785 PolarHBondContact O-N 2.73Å |
| 782 | K | 78.9 | Confident | 75.4 | Confident | 155 Ų | 155 | 115.7 Ų | 115.7 | 67% | 0.674 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.5 | -36.5 | 170.6 | -78.3 | 174 | 177.8 | 179.2 | 0 | 112.1 | N778 C779 L780 R786 | N778-K782 WeakPolarHBondContact O-CB 3.3Å; N778-K782 VanDerWaalsContact O-CG 3.31Å; N778-K782 WeakPolarHBondContact O-CG 3.47Å; N778-K782 PolarHBondContact O-N 2.85Å; C779-K782 CarbonylContact O-C 3.59Å; C779-K782 WeakPolarHBondContact O-CB 3.39Å; C779-K782 PolarHBondContact O-N 2.7Å; L780-K782 VanDerWaalsContact C-N 3.3Å; L780-K782 PolarHBondContact O-N 3Å; K782-R786 VanDerWaalsContact O-CB 3.3Å; K782-R786 WeakPolarHBondContact O-CB 3.44Å; K782-R786 PolarHBondContact O-N 3.12Å |
| 783 | K | 75.4 | Confident | 75.4 | Confident | 130 Ų | 130 | 113.1 Ų | 113.1 | 57% | 0.565 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -76.9 | -35 | 177.3 | -70 | -76 | -175.4 | 169.4 | 0 | 112.1 | C779 L780 R786 V787 | C779-K783 WeakPolarHBondContact O-CB 3.21Å; C779-K783 VanDerWaalsContact O-CG 3.24Å; C779-K783 WeakPolarHBondContact O-CG 3.26Å; C779-K783 PolarHBondContact O-N 3.03Å; L780-K783 CarbonylContact O-C 3.5Å; L780-K783 WeakPolarHBondContact O-CA 3.46Å; L780-K783 WeakPolarHBondContact O-CB 3.48Å; L780-K783 PolarHBondContact O-N 3.49Å; K783-R786 CarbonylContact O-C 3.58Å; K783-R786 PolarHBondContact O-N 3.3Å; K783-V787 VanDerWaalsContact O-CB 3.29Å; K783-V787 WeakPolarHBondContact O-CB 3.43Å; K783-V787 WeakPolarHBondContact O-CG2 3.32Å; K783-V787 PolarHBondContact O-N 3.47Å |
| 784 | E | 70.5 | Confident | 75.2 | Confident | 101 Ų | 101 | 112 Ų | 112 | 47% | 0.472 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.6 | -42.3 | 169.9 | -71.7 | 175.4 | 139.1 | 0 | 0 | 110.7 | L780 R781 V787 K788 | L780-E784 HydrophobicContact CG-CG 4.39Å; L780-E784 WeakPolarHBondContact O-CB 3.45Å; L780-E784 WeakPolarHBondContact O-CG 3.42Å; L780-E784 PolarHBondContact O-N 3.46Å; R781-E784 WeakPolarHBondContact CA-OE2 3.36Å; E784-V787 PolarHBondContact O-N 2.97Å; E784-K788 WeakPolarHBondContact O-CB 3.42Å; E784-K788 WeakPolarHBondContact O-CG 3.16Å; E784-K788 PolarHBondContact O-N 3.45Å |
| 785 | R | 75.9 | Confident | 75.1 | Confident | 178 Ų | 178 | 109.2 Ų | 109.2 | 67% | 0.672 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.6 | -48.5 | 168 | -79.8 | -178.7 | -175.6 | -170.7 | 1.2 | 110.6 | R781 V787 K788 E789 | R781-R785 WeakPolarHBondContact O-CB 3.36Å; R781-R785 VanDerWaalsContact O-CG 3.29Å; R781-R785 WeakPolarHBondContact O-CG 3.36Å; R781-R785 PolarHBondContact O-N 2.73Å; R785-V787 VanDerWaalsContact C-N 3.29Å; R785-V787 PolarHBondContact O-N 2.88Å; R785-K788 CarbonylContact O-C 3.58Å; R785-K788 WeakPolarHBondContact O-CA 3.34Å; R785-K788 PolarHBondContact O-N 3.22Å; R785-E789 WeakPolarHBondContact O-CB 3.4Å; R785-E789 VanDerWaalsContact O-CG 3.27Å; R785-E789 WeakPolarHBondContact O-CG 3.27Å; R785-E789 PolarHBondContact O-N 3.37Å |
| 786 | R | 76.3 | Confident | 75.1 | Confident | 159 Ų | 159 | 109 Ų | 109 | 60% | 0.6 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.6 | -25.8 | 178.2 | -167.3 | 162.9 | 175.5 | 154.2 | -1 | 114 | K782 K783 E789 M790 | K782-R786 VanDerWaalsContact O-CB 3.3Å; K782-R786 WeakPolarHBondContact O-CB 3.44Å; K782-R786 PolarHBondContact O-N 3.12Å; K783-R786 CarbonylContact O-C 3.58Å; K783-R786 PolarHBondContact O-N 3.3Å; R786-E789 WeakPolarHBondContact CA-OE2 3.31Å; R786-M790 VanDerWaalsContact O-CB 3.31Å; R786-M790 WeakPolarHBondContact O-CB 3.37Å; R786-M790 VanDerWaalsContact O-CG 3.23Å; R786-M790 WeakPolarHBondContact O-CG 3.4Å; R786-M790 PolarHBondContact O-N 2.66Å |
| 787 | V | 73 | Confident | 74.9 | Confident | 80 Ų | 80 | 111.5 Ų | 111.5 | 49% | 0.485 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -76.3 | -34.8 | 170.3 | 163.7 | 0 | 0 | 0 | 0 | 110.2 | K783 E784 R785 M790 Q791 | K783-V787 VanDerWaalsContact O-CB 3.29Å; K783-V787 WeakPolarHBondContact O-CB 3.43Å; K783-V787 WeakPolarHBondContact O-CG2 3.32Å; K783-V787 PolarHBondContact O-N 3.47Å; E784-V787 PolarHBondContact O-N 2.97Å; R785-V787 VanDerWaalsContact C-N 3.29Å; R785-V787 PolarHBondContact O-N 2.88Å; V787-M790 HydrophobicContact CG2-CE 4.16Å; V787-M790 CarbonylContact O-C 3.58Å; V787-Q791 WeakPolarHBondContact O-CB 3.31Å; V787-Q791 PolarHBondContact O-N 2.88Å |
| 788 | K | 74.6 | Confident | 75 | Confident | 151 Ų | 151 | 112.9 Ų | 112.9 | 66% | 0.657 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -73 | -31.3 | 170.1 | -74.9 | -177.1 | 177.2 | -175.6 | 0 | 113.1 | E784 R785 Q791 M792 | E784-K788 WeakPolarHBondContact O-CB 3.42Å; E784-K788 WeakPolarHBondContact O-CG 3.16Å; E784-K788 PolarHBondContact O-N 3.45Å; R785-K788 CarbonylContact O-C 3.58Å; R785-K788 WeakPolarHBondContact O-CA 3.34Å; R785-K788 PolarHBondContact O-N 3.22Å; K788-Q791 PolarHBondContact O-N 2.66Å; K788-M792 VanDerWaalsContact O-CB 3.28Å; K788-M792 WeakPolarHBondContact O-CB 3.35Å; K788-M792 VanDerWaalsContact O-CG 3.27Å; K788-M792 WeakPolarHBondContact O-CG 3.46Å; K788-M792 PolarHBondContact O-N 3.42Å |
| 789 | E | 74.6 | Confident | 74.9 | Confident | 112 Ų | 112 | 115.6 Ų | 115.6 | 52% | 0.523 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.7 | -42.8 | 170.4 | -70.5 | 156.8 | -169.7 | 0 | 0 | 109.9 | R785 R786 M792 T793 | R785-E789 WeakPolarHBondContact O-CB 3.4Å; R785-E789 VanDerWaalsContact O-CG 3.27Å; R785-E789 WeakPolarHBondContact O-CG 3.27Å; R785-E789 PolarHBondContact O-N 3.37Å; R786-E789 WeakPolarHBondContact CA-OE2 3.31Å; E789-M792 CarbonylContact O-C 3.58Å; E789-M792 PolarHBondContact O-N 3.2Å; E789-T793 PolarHBondContact O-N 3.5Å; E789-T793 PolarHBondContact O-OG1 3.31Å; E789-T793 VanDerWaalsContact O-OG1 3.07Å |
| 790 | M | 71.2 | Confident | 74.9 | Confident | 101 Ų | 101 | 117.1 Ų | 117.1 | 50% | 0.498 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.9 | -31.5 | 171.1 | -73.7 | -172.6 | -41.2 | 0 | 0 | 112.8 | R786 V787 T793 V794 | R786-M790 VanDerWaalsContact O-CB 3.31Å; R786-M790 WeakPolarHBondContact O-CB 3.37Å; R786-M790 VanDerWaalsContact O-CG 3.23Å; R786-M790 WeakPolarHBondContact O-CG 3.4Å; R786-M790 PolarHBondContact O-N 2.66Å; V787-M790 HydrophobicContact CG2-CE 4.16Å; V787-M790 CarbonylContact O-C 3.58Å; M790-T793 WeakPolarHBondContact CA-OG1 3.45Å; M790-T793 PolarHBondContact O-OG1 2.67Å; M790-V794 VanDerWaalsContact O-CB 3.26Å; M790-V794 WeakPolarHBondContact O-CB 3.4Å; M790-V794 WeakPolarHBondContact O-CG2 3.36Å; M790-V794 PolarHBondContact O-N 2.78Å |
| 791 | Q | 70 | Confident | 75.2 | Confident | 100 Ų | 100 | 117.9 Ų | 117.9 | 47% | 0.467 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.6 | -42.1 | 171.7 | -167.1 | 68.7 | 55.5 | 0 | 0 | 109.5 | V787 K788 V794 D795 | V787-Q791 WeakPolarHBondContact O-CB 3.31Å; V787-Q791 PolarHBondContact O-N 2.88Å; K788-Q791 PolarHBondContact O-N 2.66Å; Q791-V794 CarbonylContact O-C 3.53Å; Q791-V794 PolarHBondContact O-N 3.06Å; Q791-D795 PolarHBondContact NE2-OD1 3.11Å; Q791-D795 VanDerWaalsContact O-CB 3.31Å; Q791-D795 WeakPolarHBondContact O-CB 3.16Å; Q791-D795 PolarHBondContact O-N 3.38Å |
| 792 | M | 77.1 | Confident | 75.1 | Confident | 129 Ų | 129 | 115.3 Ų | 115.3 | 64% | 0.635 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.3 | -38.4 | 173.6 | -80.1 | 176.8 | 155.8 | 0 | 0 | 112.4 | K788 E789 D795 E796 | K788-M792 VanDerWaalsContact O-CB 3.28Å; K788-M792 WeakPolarHBondContact O-CB 3.35Å; K788-M792 VanDerWaalsContact O-CG 3.27Å; K788-M792 WeakPolarHBondContact O-CG 3.46Å; K788-M792 PolarHBondContact O-N 3.42Å; E789-M792 CarbonylContact O-C 3.58Å; E789-M792 PolarHBondContact O-N 3.2Å; M792-D795 PolarHBondContact O-N 3.49Å; M792-E796 VanDerWaalsContact O-CB 3.29Å; M792-E796 WeakPolarHBondContact O-CB 3.42Å; M792-E796 WeakPolarHBondContact O-CG 3.35Å; M792-E796 PolarHBondContact O-N 3.08Å |
| 793 | T | 76.9 | Confident | 75.1 | Confident | 70 Ų | 70 | 113.8 Ų | 113.8 | 43% | 0.429 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -76.3 | -22.2 | 172 | 47.5 | 0 | 0 | 0 | 0 | 113.3 | E789 M790 E797 | E789-T793 PolarHBondContact O-N 3.5Å; E789-T793 PolarHBondContact O-OG1 3.31Å; E789-T793 VanDerWaalsContact O-OG1 3.07Å; M790-T793 WeakPolarHBondContact CA-OG1 3.45Å; M790-T793 PolarHBondContact O-OG1 2.67Å; T793-E797 WeakPolarHBondContact O-CA 3.03Å; T793-E797 WeakPolarHBondContact O-CB 3.09Å; T793-E797 VanDerWaalsContact O-CG 3.25Å; T793-E797 WeakPolarHBondContact O-CG 3.49Å; T793-E797 PolarHBondContact O-N 2.63Å |
| 794 | V | 73 | Confident | 74.8 | Confident | 79 Ų | 79 | 109.9 Ų | 109.9 | 48% | 0.479 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -74.6 | -34.1 | 166.2 | 164.4 | 0 | 0 | 0 | 0 | 111.1 | M790 Q791 H798 | M790-V794 VanDerWaalsContact O-CB 3.26Å; M790-V794 WeakPolarHBondContact O-CB 3.4Å; M790-V794 WeakPolarHBondContact O-CG2 3.36Å; M790-V794 PolarHBondContact O-N 2.78Å; Q791-V794 CarbonylContact O-C 3.53Å; Q791-V794 PolarHBondContact O-N 3.06Å; V794-H798 WeakPolarHBondContact O-CA 3.17Å; V794-H798 WeakPolarHBondContact O-CB 3.27Å; V794-H798 PolarHBondContact O-N 3.27Å |
| 795 | D | 75.4 | Confident | 74.9 | Confident | 77 Ų | 77 | 109.4 Ų | 109.4 | 41% | 0.412 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -76.4 | -31.8 | 175.7 | -64.2 | -17.2 | 0 | 0 | 0 | 110.9 | Q791 M792 K799 | Q791-D795 PolarHBondContact NE2-OD1 3.11Å; Q791-D795 VanDerWaalsContact O-CB 3.31Å; Q791-D795 WeakPolarHBondContact O-CB 3.16Å; Q791-D795 PolarHBondContact O-N 3.38Å; M792-D795 PolarHBondContact O-N 3.49Å; D795-K799 WeakPolarHBondContact O-CB 3.49Å; D795-K799 WeakPolarHBondContact O-CG 3.46Å; D795-K799 PolarHBondContact O-N 3.27Å |
| 796 | E | 77 | Confident | 74.7 | Confident | 113 Ų | 113 | 104.3 Ų | 104.3 | 53% | 0.528 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -75.8 | -39.1 | 168.7 | -75.2 | -173.9 | 142.7 | 0 | 0 | 111.8 | M792 H798 K799 N800 | M792-E796 VanDerWaalsContact O-CB 3.29Å; M792-E796 WeakPolarHBondContact O-CB 3.42Å; M792-E796 WeakPolarHBondContact O-CG 3.35Å; M792-E796 PolarHBondContact O-N 3.08Å; E796-H798 VanDerWaalsContact C-N 3.29Å; E796-H798 PolarHBondContact O-N 3.45Å; E796-K799 CarbonylContact O-C 3.41Å; E796-K799 PolarHBondContact O-N 3.22Å; E796-N800 WeakPolarHBondContact O-CB 3.41Å; E796-N800 PolarHBondContact O-N 3.2Å; E796-N800 PolarHBondContact O-ND2 3.2Å; E796-N800 VanDerWaalsContact O-ND2 3.12Å |
| 797 | E | 72.1 | Confident | 74.4 | Confident | 137 Ų | 137 | 100.3 Ų | 100.3 | 64% | 0.64 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.4 | -30.1 | 169.3 | -80.4 | -174.9 | -176.5 | 0 | 0 | 111.4 | T793 N800 F801 | T793-E797 WeakPolarHBondContact O-CA 3.03Å; T793-E797 WeakPolarHBondContact O-CB 3.09Å; T793-E797 VanDerWaalsContact O-CG 3.25Å; T793-E797 WeakPolarHBondContact O-CG 3.49Å; T793-E797 PolarHBondContact O-N 2.63Å; E797-N800 CarbonylContact O-C 3.47Å; E797-N800 PolarHBondContact O-N 2.8Å; E797-F801 WeakPolarHBondContact O-CA 3.23Å; E797-F801 WeakPolarHBondContact O-CB 3.37Å; E797-F801 PolarHBondContact O-N 3.33Å |
| 798 | H | 76.3 | Confident | 74 | Confident | 108 Ų | 108 | 98.9 Ų | 98.9 | 50% | 0.5 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -75.4 | -35.2 | 172.8 | -170.7 | 59.8 | 0 | 0 | 0 | 111.6 | V794 E796 F801 I802 | V794-H798 WeakPolarHBondContact O-CA 3.17Å; V794-H798 WeakPolarHBondContact O-CB 3.27Å; V794-H798 PolarHBondContact O-N 3.27Å; E796-H798 VanDerWaalsContact C-N 3.29Å; E796-H798 PolarHBondContact O-N 3.45Å; H798-F801 PolarHBondContact O-N 3.29Å; H798-I802 WeakPolarHBondContact O-CB 3.22Å; H798-I802 VanDerWaalsContact O-CG1 3.29Å; H798-I802 WeakPolarHBondContact O-CG1 3.46Å; H798-I802 PolarHBondContact O-N 2.95Å |
| 799 | K | 79 | Confident | 73.8 | Confident | 141 Ų | 141 | 95.7 Ų | 95.7 | 61% | 0.613 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.8 | -41.7 | 166.5 | -82.6 | 175.3 | 178.5 | 172.1 | 0 | 112.2 | D795 E796 F801 I802 M803 | D795-K799 WeakPolarHBondContact O-CB 3.49Å; D795-K799 WeakPolarHBondContact O-CG 3.46Å; D795-K799 PolarHBondContact O-N 3.27Å; E796-K799 CarbonylContact O-C 3.41Å; E796-K799 PolarHBondContact O-N 3.22Å; K799-F801 VanDerWaalsContact C-N 3.29Å; K799-I802 PolarHBondContact O-N 2.97Å; K799-M803 VanDerWaalsContact O-CB 3.31Å; K799-M803 WeakPolarHBondContact O-CB 3.32Å; K799-M803 VanDerWaalsContact O-CG 3.28Å; K799-M803 WeakPolarHBondContact O-CG 3.49Å; K799-M803 PolarHBondContact O-N 3.41Å |
| 800 | N | 76.2 | Confident | 73.7 | Confident | 96 Ų | 96 | 97.5 Ų | 97.5 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.1 | -30.9 | 176.1 | -69.7 | -28.2 | 0 | 0 | 0 | 110.6 | E796 E797 M803 A804 | E796-N800 WeakPolarHBondContact O-CB 3.41Å; E796-N800 PolarHBondContact O-N 3.2Å; E796-N800 PolarHBondContact O-ND2 3.2Å; E796-N800 VanDerWaalsContact O-ND2 3.12Å; E797-N800 CarbonylContact O-C 3.47Å; E797-N800 PolarHBondContact O-N 2.8Å; N800-M803 CarbonylContact O-C 3.45Å; N800-A804 WeakPolarHBondContact O-CA 3.46Å; N800-A804 WeakPolarHBondContact O-CB 3.48Å; N800-A804 PolarHBondContact O-N 3.04Å |
| 801 | F | 78.5 | Confident | 73.5 | Confident | 118 Ų | 118 | 97.9 Ų | 97.9 | 52% | 0.518 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -72.7 | -42.9 | 171.8 | 179.3 | -91.5 | 0 | 0 | 0 | 111.1 | E797 H798 K799 M803 A804 Q805 | E797-F801 WeakPolarHBondContact O-CA 3.23Å; E797-F801 WeakPolarHBondContact O-CB 3.37Å; E797-F801 PolarHBondContact O-N 3.33Å; H798-F801 PolarHBondContact O-N 3.29Å; K799-F801 VanDerWaalsContact C-N 3.29Å; F801-M803 VanDerWaalsContact C-N 3.31Å; F801-M803 PolarHBondContact O-N 3.13Å; F801-A804 CarbonylContact O-C 3.57Å; F801-A804 WeakPolarHBondContact O-CB 3.47Å; F801-A804 PolarHBondContact O-N 3.39Å; F801-Q805 VanDerWaalsContact O-CB 3.23Å; F801-Q805 WeakPolarHBondContact O-CB 3.43Å; F801-Q805 PolarHBondContact O-N 3.45Å |
| 802 | I | 75.9 | Confident | 73.2 | Confident | 87 Ų | 87 | 95.2 Ų | 95.2 | 45% | 0.446 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 171.6 | -73.7 | 169.3 | 0 | 0 | 0 | 109.9 | H798 K799 Q805 D806 | H798-I802 WeakPolarHBondContact O-CB 3.22Å; H798-I802 VanDerWaalsContact O-CG1 3.29Å; H798-I802 WeakPolarHBondContact O-CG1 3.46Å; H798-I802 PolarHBondContact O-N 2.95Å; K799-I802 PolarHBondContact O-N 2.97Å; I802-Q805 WeakPolarHBondContact O-CB 3.1Å; I802-Q805 PolarHBondContact O-N 2.8Å; I802-D806 VanDerWaalsContact O-CB 3.27Å; I802-D806 WeakPolarHBondContact O-CB 3.26Å; I802-D806 PolarHBondContact O-N 2.97Å |
| 803 | M | 78.4 | Confident | 72.9 | Confident | 123 Ų | 123 | 96 Ų | 96 | 61% | 0.606 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -72 | -27.5 | 173 | -73.3 | 173.9 | 55.5 | 0 | 0 | 113.1 | K799 N800 F801 T807 | K799-M803 VanDerWaalsContact O-CB 3.31Å; K799-M803 WeakPolarHBondContact O-CB 3.32Å; K799-M803 VanDerWaalsContact O-CG 3.28Å; K799-M803 WeakPolarHBondContact O-CG 3.49Å; K799-M803 PolarHBondContact O-N 3.41Å; N800-M803 CarbonylContact O-C 3.45Å; F801-M803 VanDerWaalsContact C-N 3.31Å; F801-M803 PolarHBondContact O-N 3.13Å; M803-T807 VanDerWaalsContact O-CB 3.32Å; M803-T807 WeakPolarHBondContact O-CB 3.2Å; M803-T807 VanDerWaalsContact O-CG2 3.3Å; M803-T807 WeakPolarHBondContact O-CG2 3.37Å; M803-T807 PolarHBondContact O-N 2.87Å; M803-T807 PolarHBondContact O-OG1 3.2Å |
| 804 | A | 69.1 | Low | 72.5 | Confident | 48 Ų | 48 | 99.2 Ų | 99.2 | 40% | 0.397 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -73.5 | -35.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.2 | N800 F801 T807 A808 | N800-A804 WeakPolarHBondContact O-CA 3.46Å; N800-A804 WeakPolarHBondContact O-CB 3.48Å; N800-A804 PolarHBondContact O-N 3.04Å; F801-A804 CarbonylContact O-C 3.57Å; F801-A804 WeakPolarHBondContact O-CB 3.47Å; F801-A804 PolarHBondContact O-N 3.39Å; A804-T807 VanDerWaalsContact CA-OG1 3.31Å; A804-T807 WeakPolarHBondContact CA-OG1 3.14Å; A804-T807 PolarHBondContact O-OG1 3.49Å; A804-A808 WeakPolarHBondContact O-CA 2.89Å; A804-A808 WeakPolarHBondContact O-CB 3.47Å; A804-A808 PolarHBondContact O-N 3.24Å |
| 805 | Q | 73.1 | Confident | 72 | Confident | 91 Ų | 91 | 99.5 Ų | 99.5 | 43% | 0.425 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.6 | -49.4 | 172 | -175.4 | 81.8 | 50.8 | 0 | 0 | 109.2 | F801 I802 T807 A808 D809 | F801-Q805 VanDerWaalsContact O-CB 3.23Å; F801-Q805 WeakPolarHBondContact O-CB 3.43Å; F801-Q805 PolarHBondContact O-N 3.45Å; I802-Q805 WeakPolarHBondContact O-CB 3.1Å; I802-Q805 PolarHBondContact O-N 2.8Å; Q805-T807 VanDerWaalsContact C-N 3.32Å; Q805-T807 PolarHBondContact O-N 3.19Å; Q805-A808 CarbonylContact O-C 3.59Å; Q805-A808 WeakPolarHBondContact O-CA 3.27Å; Q805-A808 WeakPolarHBondContact O-CB 3.49Å; Q805-A808 PolarHBondContact O-N 3.13Å; Q805-D809 WeakPolarHBondContact O-CB 3.35Å; Q805-D809 PolarHBondContact O-N 3.32Å |
| 806 | D | 72.3 | Confident | 71.5 | Confident | 70 Ų | 70 | 100.9 Ų | 100.9 | 37% | 0.374 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.9 | -34.8 | 177.3 | -138.5 | 80.2 | 0 | 0 | 0 | 111.5 | I802 R810 | I802-D806 VanDerWaalsContact O-CB 3.27Å; I802-D806 WeakPolarHBondContact O-CB 3.26Å; I802-D806 PolarHBondContact O-N 2.97Å; D806-R810 WeakPolarHBondContact O-CB 3.37Å; D806-R810 VanDerWaalsContact O-CD 3.24Å; D806-R810 WeakPolarHBondContact O-CD 3.29Å; D806-R810 WeakPolarHBondContact O-CG 3.39Å; D806-R810 PolarHBondContact O-N 3Å; D806-R810 IonicContact OD2-CZ 3.03Å; D806-R810 IonicContact OD2-NE 2.74Å; D806-R810 PolarHBondContact OD2-NE 3.14Å; D806-R810 IonicContact OD2-NH2 2.63Å; D806-R810 PolarHBondContact OD2-NH2 3.1Å |
| 807 | T | 68.8 | Low | 71.2 | Confident | 76 Ų | 76 | 99.1 Ų | 99.1 | 47% | 0.466 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -75.6 | -31.2 | 169.6 | 51.6 | 0 | 0 | 0 | 0 | 112.8 | M803 A804 Q805 L811 | M803-T807 VanDerWaalsContact O-CB 3.32Å; M803-T807 WeakPolarHBondContact O-CB 3.2Å; M803-T807 VanDerWaalsContact O-CG2 3.3Å; M803-T807 WeakPolarHBondContact O-CG2 3.37Å; M803-T807 PolarHBondContact O-N 2.87Å; M803-T807 PolarHBondContact O-OG1 3.2Å; A804-T807 VanDerWaalsContact CA-OG1 3.31Å; A804-T807 WeakPolarHBondContact CA-OG1 3.14Å; A804-T807 PolarHBondContact O-OG1 3.49Å; Q805-T807 VanDerWaalsContact C-N 3.32Å; Q805-T807 PolarHBondContact O-N 3.19Å; T807-L811 WeakPolarHBondContact O-CA 3.36Å; T807-L811 WeakPolarHBondContact O-CB 3.48Å; T807-L811 WeakPolarHBondContact O-CD1 2.97Å; T807-L811 WeakPolarHBondContact O-CG 3.37Å; T807-L811 PolarHBondContact O-N 3.24Å |
| 808 | A | 65.8 | Low | 70.5 | Confident | 49 Ų | 49 | 100.4 Ų | 100.4 | 41% | 0.405 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.6 | -38.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | A804 Q805 L811 A812 | A804-A808 WeakPolarHBondContact O-CA 2.89Å; A804-A808 WeakPolarHBondContact O-CB 3.47Å; A804-A808 PolarHBondContact O-N 3.24Å; Q805-A808 CarbonylContact O-C 3.59Å; Q805-A808 WeakPolarHBondContact O-CA 3.27Å; Q805-A808 WeakPolarHBondContact O-CB 3.49Å; Q805-A808 PolarHBondContact O-N 3.13Å; A808-L811 CarbonylContact O-C 3.51Å; A808-L811 PolarHBondContact O-N 2.93Å; A808-A812 WeakPolarHBondContact O-CB 3.26Å; A808-A812 PolarHBondContact O-N 3.07Å |
| 809 | D | 69.9 | Low | 69.4 | Low | 85 Ų | 85 | 101 Ų | 101 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -75.3 | -42.4 | 177.2 | -69.4 | -32.9 | 0 | 0 | 0 | 110.7 | Q805 L811 A812 E813 | Q805-D809 WeakPolarHBondContact O-CB 3.35Å; Q805-D809 PolarHBondContact O-N 3.32Å; D809-L811 VanDerWaalsContact C-N 3.27Å; D809-L811 PolarHBondContact O-N 3.39Å; D809-A812 WeakPolarHBondContact O-CB 3.28Å; D809-A812 PolarHBondContact O-N 3.48Å; D809-A812 VanDerWaalsContact O-N 3.09Å; D809-E813 PolarHBondContact O-N 3.2Å |
| 810 | R | 72.6 | Confident | 68.4 | Low | 150 Ų | 150 | 104 Ų | 104 | 57% | 0.566 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64 | -30.9 | 168.2 | -68.5 | 166.9 | -163.9 | -153.8 | 6.1 | 112.4 | D806 K814 | D806-R810 WeakPolarHBondContact O-CB 3.37Å; D806-R810 VanDerWaalsContact O-CD 3.24Å; D806-R810 WeakPolarHBondContact O-CD 3.29Å; D806-R810 WeakPolarHBondContact O-CG 3.39Å; D806-R810 PolarHBondContact O-N 3Å; D806-R810 IonicContact OD2-CZ 3.03Å; D806-R810 IonicContact OD2-NE 2.74Å; D806-R810 PolarHBondContact OD2-NE 3.14Å; D806-R810 IonicContact OD2-NH2 2.63Å; D806-R810 PolarHBondContact OD2-NH2 3.1Å; R810-K814 WeakPolarHBondContact O-CB 3.34Å; R810-K814 VanDerWaalsContact O-CG 3.24Å; R810-K814 WeakPolarHBondContact O-CG 3.39Å; R810-K814 PolarHBondContact O-N 3.15Å |
| 811 | L | 65.4 | Low | 67.5 | Low | 108 Ų | 108 | 105 Ų | 105 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -74 | -32.9 | 170.9 | -80.5 | 166.5 | 0 | 0 | 0 | 110.9 | T807 A808 D809 K814 L815 | T807-L811 WeakPolarHBondContact O-CA 3.36Å; T807-L811 WeakPolarHBondContact O-CB 3.48Å; T807-L811 WeakPolarHBondContact O-CD1 2.97Å; T807-L811 WeakPolarHBondContact O-CG 3.37Å; T807-L811 PolarHBondContact O-N 3.24Å; A808-L811 CarbonylContact O-C 3.51Å; A808-L811 PolarHBondContact O-N 2.93Å; D809-L811 VanDerWaalsContact C-N 3.27Å; D809-L811 PolarHBondContact O-N 3.39Å; L811-K814 CarbonylContact O-C 3.59Å; L811-L815 WeakPolarHBondContact O-CA 3.09Å; L811-L815 WeakPolarHBondContact O-CB 2.96Å; L811-L815 PolarHBondContact O-N 3.49Å |
| 812 | A | 64.7 | Low | 66.5 | Low | 45 Ų | 45 | 103.8 Ų | 103.8 | 37% | 0.372 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.4 | -45 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | A808 D809 L815 N816 | A808-A812 WeakPolarHBondContact O-CB 3.26Å; A808-A812 PolarHBondContact O-N 3.07Å; D809-A812 WeakPolarHBondContact O-CB 3.28Å; D809-A812 PolarHBondContact O-N 3.48Å; D809-A812 VanDerWaalsContact O-N 3.09Å; A812-L815 PolarHBondContact O-N 3.4Å; A812-N816 WeakPolarHBondContact O-CB 3.42Å; A812-N816 VanDerWaalsContact O-CG 3.26Å; A812-N816 PolarHBondContact O-N 3.09Å; A812-N816 PolarHBondContact O-ND2 3.41Å; A812-N816 VanDerWaalsContact O-ND2 3.17Å |
| 813 | E | 69.7 | Low | 65.7 | Low | 144 Ų | 144 | 104.8 Ų | 104.8 | 67% | 0.673 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.1 | -49.5 | 169.9 | -75.9 | -161.7 | 128.6 | 0 | 0 | 111.3 | D809 L815 N816 V817 | D809-E813 PolarHBondContact O-N 3.2Å; E813-L815 VanDerWaalsContact C-N 3.26Å; E813-L815 PolarHBondContact O-N 3.07Å; E813-N816 PolarHBondContact O-N 3.26Å; E813-V817 WeakPolarHBondContact O-CG2 3.02Å; E813-V817 PolarHBondContact O-N 3.06Å |
| 814 | K | 68.6 | Low | 64.7 | Low | 139 Ų | 139 | 105.5 Ų | 105.5 | 60% | 0.604 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.7 | -25.7 | 176.5 | -75.7 | -180 | 177.2 | -177.8 | 0 | 113.5 | R810 L811 Y818 | R810-K814 WeakPolarHBondContact O-CB 3.34Å; R810-K814 VanDerWaalsContact O-CG 3.24Å; R810-K814 WeakPolarHBondContact O-CG 3.39Å; R810-K814 PolarHBondContact O-N 3.15Å; L811-K814 CarbonylContact O-C 3.59Å; K814-Y818 VanDerWaalsContact O-CB 3.31Å; K814-Y818 WeakPolarHBondContact O-CB 3.08Å; K814-Y818 WeakPolarHBondContact O-CD2 3.03Å; K814-Y818 PolarHBondContact O-N 3.44Å |
| 815 | L | 62.8 | Low | 64 | Low | 84 Ų | 84 | 105.5 Ų | 105.5 | 44% | 0.44 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -81 | -29.5 | 175.7 | -173.2 | 144.4 | 0 | 0 | 0 | 111.4 | L811 A812 E813 K819 | L811-L815 WeakPolarHBondContact O-CA 3.09Å; L811-L815 WeakPolarHBondContact O-CB 2.96Å; L811-L815 PolarHBondContact O-N 3.49Å; A812-L815 PolarHBondContact O-N 3.4Å; E813-L815 VanDerWaalsContact C-N 3.26Å; E813-L815 PolarHBondContact O-N 3.07Å; L815-K819 HydrophobicContact CD2-CD 3.96Å; L815-K819 WeakPolarHBondContact O-CB 3.38Å; L815-K819 VanDerWaalsContact O-CG 3.29Å; L815-K819 WeakPolarHBondContact O-CG 3.44Å; L815-K819 PolarHBondContact O-N 3.22Å |
| 816 | N | 65.2 | Low | 63.3 | Low | 106 Ų | 106 | 105.6 Ų | 105.6 | 57% | 0.567 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -69.8 | -36.3 | 166.8 | -72.1 | -32.6 | 0 | 0 | 0 | 111.7 | A812 E813 R820 | A812-N816 WeakPolarHBondContact O-CB 3.42Å; A812-N816 VanDerWaalsContact O-CG 3.26Å; A812-N816 PolarHBondContact O-N 3.09Å; A812-N816 PolarHBondContact O-ND2 3.41Å; A812-N816 VanDerWaalsContact O-ND2 3.17Å; E813-N816 PolarHBondContact O-N 3.26Å; N816-R820 PolarHBondContact O-N 3.2Å |
| 817 | V | 70.7 | Confident | 62.6 | Low | 77 Ų | 77 | 106 Ų | 106 | 47% | 0.467 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.8 | -46.3 | 171.3 | 174.8 | 0 | 0 | 0 | 0 | 111.5 | E813 K819 R820 Q821 | E813-V817 WeakPolarHBondContact O-CG2 3.02Å; E813-V817 PolarHBondContact O-N 3.06Å; V817-K819 VanDerWaalsContact C-N 3.26Å; V817-K819 PolarHBondContact O-N 2.87Å; V817-R820 PolarHBondContact O-N 3.38Å; V817-Q821 HydrophobicContact CG1-CG 4.48Å; V817-Q821 PolarHBondContact O-N 3.15Å |
| 818 | Y | 56.8 | Low | 62.1 | Low | 164 Ų | 164 | 107.5 Ų | 107.5 | 64% | 0.643 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -53.5 | -45.2 | 171.2 | -83.8 | -51.1 | 0 | 0 | 0 | 109.7 | K814 R820 Q821 L822 | K814-Y818 VanDerWaalsContact O-CB 3.31Å; K814-Y818 WeakPolarHBondContact O-CB 3.08Å; K814-Y818 WeakPolarHBondContact O-CD2 3.03Å; K814-Y818 PolarHBondContact O-N 3.44Å; Y818-R820 VanDerWaalsContact C-N 3.3Å; Y818-R820 PolarHBondContact O-N 3.12Å; Y818-Q821 PolarHBondContact O-N 2.99Å; Y818-L822 WeakPolarHBondContact O-CA 3.47Å; Y818-L822 WeakPolarHBondContact O-CB 3.31Å; Y818-L822 PolarHBondContact O-N 3.41Å |
| 819 | K | 54 | Low | 61.5 | Low | 121 Ų | 121 | 109.1 Ų | 109.1 | 53% | 0.526 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.4 | -28.4 | 178.3 | -81.1 | 174.9 | 176.6 | 174.4 | 0 | 114.3 | L815 V817 N823 | L815-K819 HydrophobicContact CD2-CD 3.96Å; L815-K819 WeakPolarHBondContact O-CB 3.38Å; L815-K819 VanDerWaalsContact O-CG 3.29Å; L815-K819 WeakPolarHBondContact O-CG 3.44Å; L815-K819 PolarHBondContact O-N 3.22Å; V817-K819 VanDerWaalsContact C-N 3.26Å; V817-K819 PolarHBondContact O-N 2.87Å; K819-N823 PolarHBondContact O-ND2 3.29Å |
| 820 | R | 58 | Low | 61 | Low | 202 Ų | 202 | 111 Ų | 111 | 76% | 0.762 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -75 | -51.3 | 170.3 | -86.6 | -175.4 | 169.9 | 154.4 | -1.1 | 112 | N816 V817 Y818 L822 N823 E824 | N816-R820 PolarHBondContact O-N 3.2Å; V817-R820 PolarHBondContact O-N 3.38Å; Y818-R820 VanDerWaalsContact C-N 3.3Å; Y818-R820 PolarHBondContact O-N 3.12Å; R820-L822 VanDerWaalsContact C-N 3.32Å; R820-L822 PolarHBondContact O-N 3.45Å; R820-N823 PolarHBondContact O-N 3.02Å; R820-E824 PolarHBondContact O-N 3.05Å; R820-E824 VanDerWaalsContact O-N 3.14Å |
| 821 | Q | 57.7 | Low | 60.4 | Low | 117 Ų | 117 | 109.9 Ų | 109.9 | 55% | 0.547 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.8 | -29 | -176.8 | -69 | -177.1 | -29.1 | 0 | 0 | 113 | V817 Y818 A825 | V817-Q821 HydrophobicContact CG1-CG 4.48Å; V817-Q821 PolarHBondContact O-N 3.15Å; Y818-Q821 PolarHBondContact O-N 2.99Å; Q821-A825 WeakPolarHBondContact O-CB 3.29Å; Q821-A825 PolarHBondContact O-N 2.96Å |
| 822 | L | 57.7 | Low | 59.9 | Low | 93 Ų | 93 | 108.5 Ų | 108.5 | 49% | 0.487 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.3 | -48 | 171.1 | -170 | 81.9 | 0 | 0 | 0 | 110.1 | Y818 R820 E824 A825 E826 | Y818-L822 WeakPolarHBondContact O-CA 3.47Å; Y818-L822 WeakPolarHBondContact O-CB 3.31Å; Y818-L822 PolarHBondContact O-N 3.41Å; R820-L822 VanDerWaalsContact C-N 3.32Å; R820-L822 PolarHBondContact O-N 3.45Å; L822-E824 PolarHBondContact O-N 2.99Å; L822-A825 PolarHBondContact O-N 3.31Å; L822-E826 HydrophobicContact CD1-CG 4.48Å; L822-E826 HydrophobicContact CG-CG 4.14Å; L822-E826 WeakPolarHBondContact O-CB 3.42Å; L822-E826 WeakPolarHBondContact O-CG 3.44Å; L822-E826 PolarHBondContact O-N 3.22Å |
| 823 | N | 58.3 | Low | 59.6 | Low | 108 Ų | 108 | 109.6 Ų | 109.6 | 58% | 0.578 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.5 | -42.2 | 177.7 | -85.5 | -82.7 | 0 | 0 | 0 | 112.7 | K819 R820 S827 | K819-N823 PolarHBondContact O-ND2 3.29Å; R820-N823 PolarHBondContact O-N 3.02Å; N823-S827 WeakPolarHBondContact O-CB 3.42Å; N823-S827 PolarHBondContact O-N 3.02Å; N823-S827 VanDerWaalsContact O-N 3.08Å |
| 824 | E | 56.9 | Low | 59 | Low | 138 Ų | 138 | 109.5 Ų | 109.5 | 65% | 0.645 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.8 | -40.8 | 176.8 | -69.3 | 179.4 | 154.1 | 0 | 0 | 112 | R820 L822 S827 L828 | R820-E824 PolarHBondContact O-N 3.05Å; R820-E824 VanDerWaalsContact O-N 3.14Å; L822-E824 PolarHBondContact O-N 2.99Å; E824-S827 WeakPolarHBondContact O-CB 3.37Å; E824-L828 PolarHBondContact O-N 3.32Å |
| 825 | A | 54.9 | Low | 58.5 | Low | 49 Ų | 49 | 111.3 Ų | 111.3 | 41% | 0.405 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -74 | -33.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q821 L822 L828 T829 | Q821-A825 WeakPolarHBondContact O-CB 3.29Å; Q821-A825 PolarHBondContact O-N 2.96Å; L822-A825 PolarHBondContact O-N 3.31Å; A825-L828 PolarHBondContact O-N 2.72Å; A825-T829 WeakPolarHBondContact O-CA 3.46Å; A825-T829 WeakPolarHBondContact O-CB 3.5Å; A825-T829 PolarHBondContact O-N 3.35Å; A825-T829 PolarHBondContact O-OG1 3.14Å |
| 826 | E | 58 | Low | 58 | Low | 93 Ų | 93 | 111.2 Ų | 111.2 | 44% | 0.435 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67 | -38.3 | 173.5 | -77.6 | 174.7 | 150.7 | 0 | 0 | 110.3 | L822 T829 M830 | L822-E826 HydrophobicContact CD1-CG 4.48Å; L822-E826 HydrophobicContact CG-CG 4.14Å; L822-E826 WeakPolarHBondContact O-CB 3.42Å; L822-E826 WeakPolarHBondContact O-CG 3.44Å; L822-E826 PolarHBondContact O-N 3.22Å; E826-T829 PolarHBondContact O-N 3.13Å; E826-M830 VanDerWaalsContact O-CB 3.3Å; E826-M830 WeakPolarHBondContact O-CB 3.46Å; E826-M830 VanDerWaalsContact O-CG 3.3Å; E826-M830 WeakPolarHBondContact O-CG 3.27Å; E826-M830 PolarHBondContact O-N 3.15Å |
| 827 | S | 58 | Low | 57.5 | Low | 78 Ų | 78 | 113.6 Ų | 113.6 | 55% | 0.545 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -58.5 | -48.5 | 171.5 | -167.9 | 0 | 0 | 0 | 0 | 112.2 | N823 E824 Q831 | N823-S827 WeakPolarHBondContact O-CB 3.42Å; N823-S827 PolarHBondContact O-N 3.02Å; N823-S827 VanDerWaalsContact O-N 3.08Å; E824-S827 WeakPolarHBondContact O-CB 3.37Å; S827-Q831 PolarHBondContact O-N 3.14Å |
| 828 | L | 58.1 | Low | 56.7 | Low | 107 Ų | 107 | 119.3 Ų | 119.3 | 56% | 0.56 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -72.1 | -31.7 | 177.9 | -102.1 | 160.1 | 0 | 0 | 0 | 113.8 | E824 A825 N832 | E824-L828 PolarHBondContact O-N 3.32Å; A825-L828 PolarHBondContact O-N 2.72Å; L828-N832 PolarHBondContact O-N 2.77Å; L828-N832 PolarHBondContact O-ND2 3.09Å; L828-N832 VanDerWaalsContact O-ND2 3.16Å |
| 829 | T | 52.7 | Low | 56.5 | Low | 83 Ų | 83 | 119.2 Ų | 119.2 | 51% | 0.509 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -87.9 | -27 | -177 | -48.1 | 0 | 0 | 0 | 0 | 111.5 | A825 E826 Q831 N832 L833 | A825-T829 WeakPolarHBondContact O-CA 3.46Å; A825-T829 WeakPolarHBondContact O-CB 3.5Å; A825-T829 PolarHBondContact O-N 3.35Å; A825-T829 PolarHBondContact O-OG1 3.14Å; E826-T829 PolarHBondContact O-N 3.13Å; T829-Q831 VanDerWaalsContact C-N 3.31Å; T829-Q831 PolarHBondContact O-N 3.42Å; T829-N832 PolarHBondContact O-N 3.42Å; T829-L833 WeakPolarHBondContact O-CA 3.41Å; T829-L833 WeakPolarHBondContact O-CB 3.35Å; T829-L833 PolarHBondContact O-N 3.29Å |
| 830 | M | 59.6 | Low | 56.5 | Low | 126 Ų | 126 | 117.2 Ų | 117.2 | 62% | 0.621 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.5 | -38.7 | 165.7 | -76.3 | -168.4 | 95.5 | 0 | 0 | 111.3 | E826 L833 Q834 | E826-M830 VanDerWaalsContact O-CB 3.3Å; E826-M830 WeakPolarHBondContact O-CB 3.46Å; E826-M830 VanDerWaalsContact O-CG 3.3Å; E826-M830 WeakPolarHBondContact O-CG 3.27Å; E826-M830 PolarHBondContact O-N 3.15Å; M830-L833 PolarHBondContact O-N 3.41Å; M830-Q834 WeakPolarHBondContact O-CG 3.32Å; M830-Q834 PolarHBondContact O-N 3.1Å |
| 831 | Q | 60.3 | Low | 56.3 | Low | 125 Ų | 125 | 114.1 Ų | 114.1 | 58% | 0.584 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.2 | -47.8 | 172.1 | -72.8 | -174.8 | -3.8 | 0 | 0 | 111.8 | S827 T829 Q834 R835 | S827-Q831 PolarHBondContact O-N 3.14Å; T829-Q831 VanDerWaalsContact C-N 3.31Å; T829-Q831 PolarHBondContact O-N 3.42Å; Q831-Q834 PolarHBondContact O-N 3.17Å; Q831-R835 WeakPolarHBondContact O-CB 3.38Å; Q831-R835 PolarHBondContact O-N 2.99Å; Q831-R835 VanDerWaalsContact O-N 3.15Å |
| 832 | N | 56.2 | Low | 55.7 | Low | 79 Ų | 79 | 115 Ų | 115 | 42% | 0.422 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71.4 | -31.4 | 178.2 | -74.1 | -49.6 | 0 | 0 | 0 | 113.2 | L828 T829 R835 V836 | L828-N832 PolarHBondContact O-N 2.77Å; L828-N832 PolarHBondContact O-ND2 3.09Å; L828-N832 VanDerWaalsContact O-ND2 3.16Å; T829-N832 PolarHBondContact O-N 3.42Å; N832-R835 CarbonylContact O-C 3.56Å; N832-R835 PolarHBondContact O-N 3.22Å; N832-R835 VanDerWaalsContact O-N 3.15Å; N832-V836 WeakPolarHBondContact O-CB 3.5Å; N832-V836 WeakPolarHBondContact O-CG2 3.4Å; N832-V836 PolarHBondContact O-N 3.29Å |
| 833 | L | 56.6 | Low | 55 | Low | 69 Ų | 69 | 115.6 Ų | 115.6 | 36% | 0.361 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68 | -38.1 | 175.7 | -172.6 | 68.6 | 0 | 0 | 0 | 111.2 | T829 M830 R835 R837 | T829-L833 WeakPolarHBondContact O-CA 3.41Å; T829-L833 WeakPolarHBondContact O-CB 3.35Å; T829-L833 PolarHBondContact O-N 3.29Å; M830-L833 PolarHBondContact O-N 3.41Å; L833-R835 VanDerWaalsContact C-N 3.31Å; L833-R837 HydrophobicContact CD1-CG 4.29Å; L833-R837 HydrophobicContact CG-CG 4.45Å; L833-R837 WeakPolarHBondContact O-CB 3.47Å; L833-R837 WeakPolarHBondContact O-CG 3.45Å; L833-R837 PolarHBondContact O-N 3.38Å |
| 834 | Q | 58.8 | Low | 54.5 | Low | 142 Ų | 142 | 115.4 Ų | 115.4 | 66% | 0.664 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.9 | -34.7 | 169.3 | -75.2 | -177.1 | -10 | 0 | 0 | 112.3 | M830 Q831 | M830-Q834 WeakPolarHBondContact O-CG 3.32Å; M830-Q834 PolarHBondContact O-N 3.1Å; Q831-Q834 PolarHBondContact O-N 3.17Å |
| 835 | R | 57.9 | Low | 54.1 | Low | 177 Ų | 177 | 114.8 Ų | 114.8 | 67% | 0.668 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -77.6 | -38.1 | -178.6 | -157 | 172.4 | -175.9 | -178.8 | 0 | 112.8 | Q831 N832 L833 Y839 | Q831-R835 WeakPolarHBondContact O-CB 3.38Å; Q831-R835 PolarHBondContact O-N 2.99Å; Q831-R835 VanDerWaalsContact O-N 3.15Å; N832-R835 CarbonylContact O-C 3.56Å; N832-R835 PolarHBondContact O-N 3.22Å; N832-R835 VanDerWaalsContact O-N 3.15Å; L833-R835 VanDerWaalsContact C-N 3.31Å; R835-Y839 WeakPolarHBondContact O-CD2 3.22Å |
| 836 | V | 50.8 | Low | 53.6 | Low | 82 Ų | 82 | 114.1 Ų | 114.1 | 50% | 0.497 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -80.7 | -36.7 | 177.6 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | N832 R838 Y839 Q840 | N832-V836 WeakPolarHBondContact O-CB 3.5Å; N832-V836 WeakPolarHBondContact O-CG2 3.4Å; N832-V836 PolarHBondContact O-N 3.29Å; V836-R838 PolarHBondContact O-N 3.38Å; V836-Y839 CarbonylContact O-C 3.58Å; V836-Y839 PolarHBondContact O-N 3.45Å; V836-Q840 HydrophobicContact CG1-CG 4.27Å; V836-Q840 PolarHBondContact O-N 2.81Å |
| 837 | R | 55.1 | Low | 53 | Low | 156 Ų | 156 | 115.4 Ų | 115.4 | 59% | 0.589 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.8 | -23.1 | 175.4 | -77.4 | 177.7 | 176.2 | -179.4 | 0.3 | 114 | L833 | L833-R837 HydrophobicContact CD1-CG 4.29Å; L833-R837 HydrophobicContact CG-CG 4.45Å; L833-R837 WeakPolarHBondContact O-CB 3.47Å; L833-R837 WeakPolarHBondContact O-CG 3.45Å; L833-R837 PolarHBondContact O-N 3.38Å |
| 838 | R | 53.6 | Low | 52.6 | Low | 197 Ų | 197 | 113.4 Ų | 113.4 | 74% | 0.743 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.1 | -42.2 | 168.4 | -77.1 | -174.8 | 174.5 | -171.2 | -1.5 | 112.2 | V836 | V836-R838 PolarHBondContact O-N 3.38Å |
| 839 | Y | 52.9 | Low | 52.2 | Low | 162 Ų | 162 | 117 Ų | 117 | 64% | 0.635 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -82.2 | -18.8 | 177.8 | -67.4 | -53.2 | 0 | 0 | 0 | 114.4 | R835 V836 E842 L843 | R835-Y839 WeakPolarHBondContact O-CD2 3.22Å; V836-Y839 CarbonylContact O-C 3.58Å; V836-Y839 PolarHBondContact O-N 3.45Å; Y839-E842 WeakPolarHBondContact CD1-OE2 3.49Å; Y839-L843 WeakPolarHBondContact O-CB 3.24Å; Y839-L843 PolarHBondContact O-N 3.2Å |
| 840 | Q | 54.2 | Low | 51.8 | Low | 78 Ų | 78 | 114.8 Ų | 114.8 | 36% | 0.364 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58.7 | -55.7 | 168.9 | -84.6 | -167.9 | -108.6 | 0 | 0 | 110.6 | V836 E842 L843 E844 | V836-Q840 HydrophobicContact CG1-CG 4.27Å; V836-Q840 PolarHBondContact O-N 2.81Å; Q840-E842 VanDerWaalsContact C-N 3.3Å; Q840-E842 PolarHBondContact O-N 3.14Å; Q840-L843 PolarHBondContact O-N 3.25Å; Q840-E844 WeakPolarHBondContact CB-OE1 3.39Å; Q840-E844 PolarHBondContact NE2-OE1 3.32Å; Q840-E844 WeakPolarHBondContact O-CB 3.47Å; Q840-E844 VanDerWaalsContact O-CG 3.23Å; Q840-E844 WeakPolarHBondContact O-CG 3.23Å; Q840-E844 PolarHBondContact O-N 3.33Å |
| 841 | H | 53.3 | Low | 51.2 | Low | 137 Ų | 137 | 116 Ų | 116 | 63% | 0.634 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.5 | -34.6 | -174.1 | -135.2 | 35.5 | 0 | 0 | 0 | 112.3 | L843 E844 D845 | H841-L843 VanDerWaalsContact C-N 3.28Å; H841-L843 PolarHBondContact O-N 3.43Å; H841-E844 IonicContact ND1-OE2 3.7Å; H841-D845 PolarHBondContact O-N 3.49Å |
| 842 | E | 44.9 | Very low | 50.7 | Low | 136 Ų | 136 | 117.8 Ų | 117.8 | 64% | 0.636 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.6 | -19.6 | 175.1 | -68.3 | 178.1 | 172.6 | 0 | 0 | 113.8 | Y839 Q840 | Y839-E842 WeakPolarHBondContact CD1-OE2 3.49Å; Q840-E842 VanDerWaalsContact C-N 3.3Å; Q840-E842 PolarHBondContact O-N 3.14Å |
| 843 | L | 44.9 | Very low | 50.1 | Low | 105 Ų | 105 | 116.3 Ų | 116.3 | 55% | 0.55 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -99.4 | -36.9 | 177.4 | -162.7 | 77.5 | 0 | 0 | 0 | 112.8 | Y839 Q840 H841 D845 A846 E847 | Y839-L843 WeakPolarHBondContact O-CB 3.24Å; Y839-L843 PolarHBondContact O-N 3.2Å; Q840-L843 PolarHBondContact O-N 3.25Å; H841-L843 VanDerWaalsContact C-N 3.28Å; H841-L843 PolarHBondContact O-N 3.43Å; L843-D845 VanDerWaalsContact C-N 3.31Å; L843-D845 PolarHBondContact O-N 3.17Å; L843-A846 WeakPolarHBondContact O-CA 3.38Å; L843-A846 WeakPolarHBondContact O-CB 3.36Å; L843-A846 PolarHBondContact O-N 3.23Å; L843-E847 PolarHBondContact O-N 2.92Å |
| 844 | E | 46.2 | Very low | 49.6 | Very low | 105 Ų | 105 | 119.9 Ų | 119.9 | 49% | 0.491 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.9 | -40.3 | 176.2 | -71.3 | 158.6 | -174.8 | 0 | 0 | 110.6 | Q840 H841 A846 G848 | Q840-E844 WeakPolarHBondContact CB-OE1 3.39Å; Q840-E844 PolarHBondContact NE2-OE1 3.32Å; Q840-E844 WeakPolarHBondContact O-CB 3.47Å; Q840-E844 VanDerWaalsContact O-CG 3.23Å; Q840-E844 WeakPolarHBondContact O-CG 3.23Å; Q840-E844 PolarHBondContact O-N 3.33Å; H841-E844 IonicContact ND1-OE2 3.7Å; E844-A846 VanDerWaalsContact C-N 3.32Å; E844-G848 PolarHBondContact O-N 3.03Å |
| 845 | D | 50.1 | Low | 49.1 | Very low | 125 Ų | 125 | 117.7 Ų | 117.7 | 67% | 0.668 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -73.9 | -18.8 | 170.9 | -113.4 | 12.6 | 0 | 0 | 0 | 113.5 | H841 L843 R849 | H841-D845 PolarHBondContact O-N 3.49Å; L843-D845 VanDerWaalsContact C-N 3.31Å; L843-D845 PolarHBondContact O-N 3.17Å; D845-R849 PolarHBondContact O-NE 3.26Å; D845-R849 VanDerWaalsContact O-NE 3.14Å; D845-R849 PolarHBondContact O-NH2 2.86Å |
| 846 | A | 43.6 | Very low | 48.2 | Very low | 34 Ų | 34 | 113.2 Ų | 113.2 | 28% | 0.281 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -78.9 | -51.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L843 E844 R849 | L843-A846 WeakPolarHBondContact O-CA 3.38Å; L843-A846 WeakPolarHBondContact O-CB 3.36Å; L843-A846 PolarHBondContact O-N 3.23Å; E844-A846 VanDerWaalsContact C-N 3.32Å; A846-R849 PolarHBondContact O-NE 3.06Å |
| 847 | E | 45.5 | Very low | 47.3 | Very low | 121 Ų | 121 | 113.2 Ų | 113.2 | 57% | 0.565 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -109.8 | 2.8 | -165.4 | -64.4 | -163.5 | 149.1 | 0 | 0 | 115.8 | L843 R849 A850 E851 | L843-E847 PolarHBondContact O-N 2.92Å; E847-R849 PolarHBondContact O-N 3.38Å; E847-R849 VanDerWaalsContact O-N 3.14Å; E847-A850 HydrophobicContact CB-CB 3.95Å; E847-A850 HydrophobicContact CG-CB 4.27Å; E847-A850 WeakPolarHBondContact O-CA 3.28Å; E847-A850 VanDerWaalsContact O-CB 3.31Å; E847-A850 WeakPolarHBondContact O-CB 3.36Å; E847-A850 PolarHBondContact O-N 3.49Å; E847-E851 PolarHBondContact O-N 3.49Å; E847-E851 VanDerWaalsContact O-N 3.08Å |
| 848 | G | 50.5 | Low | 47.1 | Very low | 36 Ų | 36 | 111.8 Ų | 111.8 | 37% | 0.371 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -56.8 | -20.5 | 151.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E844 | E844-G848 PolarHBondContact O-N 3.03Å |
| 849 | R | 49.3 | Very low | 46.7 | Very low | 182 Ų | 182 | 109.9 Ų | 109.9 | 69% | 0.687 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -79.9 | -16.7 | 168.5 | -69.6 | 172.5 | -87.5 | 166.3 | -11.1 | 113.9 | D845 A846 E847 | D845-R849 PolarHBondContact O-NE 3.26Å; D845-R849 VanDerWaalsContact O-NE 3.14Å; D845-R849 PolarHBondContact O-NH2 2.86Å; A846-R849 PolarHBondContact O-NE 3.06Å; E847-R849 PolarHBondContact O-N 3.38Å; E847-R849 VanDerWaalsContact O-N 3.14Å |
| 850 | A | 44.5 | Very low | 45.8 | Very low | 36 Ų | 36 | 108.6 Ų | 108.6 | 30% | 0.298 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -86.2 | -36.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E847 Q852 A853 E854 | E847-A850 HydrophobicContact CB-CB 3.95Å; E847-A850 HydrophobicContact CG-CB 4.27Å; E847-A850 WeakPolarHBondContact O-CA 3.28Å; E847-A850 VanDerWaalsContact O-CB 3.31Å; E847-A850 WeakPolarHBondContact O-CB 3.36Å; E847-A850 PolarHBondContact O-N 3.49Å; A850-Q852 VanDerWaalsContact C-N 3.28Å; A850-Q852 PolarHBondContact O-N 3.29Å; A850-A853 WeakPolarHBondContact O-CA 3.43Å; A850-A853 WeakPolarHBondContact O-CB 3.38Å; A850-A853 PolarHBondContact O-N 3.27Å; A850-E854 PolarHBondContact O-N 3.21Å |
| 851 | E | 46.8 | Very low | 44.8 | Very low | 152 Ų | 152 | 112 Ų | 112 | 71% | 0.71 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -56 | -40.5 | 174.9 | -66.3 | -172 | 134.7 | 0 | 0 | 112.3 | E847 A853 S855 | E847-E851 PolarHBondContact O-N 3.49Å; E847-E851 VanDerWaalsContact O-N 3.08Å; E851-A853 VanDerWaalsContact C-N 3.32Å; E851-A853 PolarHBondContact O-N 3.45Å; E851-S855 WeakPolarHBondContact O-CB 3.49Å; E851-S855 PolarHBondContact O-N 2.8Å |
| 852 | Q | 48.7 | Very low | 44.2 | Very low | 162 Ų | 162 | 108.9 Ų | 108.9 | 76% | 0.757 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -72.5 | -19.7 | 173.5 | -75.4 | -171.2 | -12.8 | 0 | 0 | 114.2 | A850 | A850-Q852 VanDerWaalsContact C-N 3.28Å; A850-Q852 PolarHBondContact O-N 3.29Å |
| 853 | A | 44.9 | Very low | 44 | Very low | 49 Ų | 49 | 111 Ų | 111 | 41% | 0.405 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -87.3 | -45.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A850 E851 S855 S856 | A850-A853 WeakPolarHBondContact O-CA 3.43Å; A850-A853 WeakPolarHBondContact O-CB 3.38Å; A850-A853 PolarHBondContact O-N 3.27Å; E851-A853 VanDerWaalsContact C-N 3.32Å; E851-A853 PolarHBondContact O-N 3.45Å; A853-S855 VanDerWaalsContact C-N 3.3Å; A853-S855 PolarHBondContact O-N 2.85Å; A853-S856 PolarHBondContact O-N 3.24Å; A853-S856 VanDerWaalsContact O-N 3.17Å |
| 854 | E | 45 | Very low | 43.6 | Very low | 144 Ų | 144 | 112.6 Ų | 112.6 | 67% | 0.673 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.6 | -30.8 | 179.7 | -66.4 | -135.1 | 126.2 | 0 | 0 | 112.5 | A850 S856 L857 | A850-E854 PolarHBondContact O-N 3.21Å; E854-S856 PolarHBondContact O-N 2.88Å; E854-L857 PolarHBondContact O-N 3.16Å |
| 855 | S | 48.1 | Very low | 43 | Very low | 95 Ų | 95 | 117.1 Ų | 117.1 | 66% | 0.664 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -50.2 | -23.7 | 169.8 | -176 | 0 | 0 | 0 | 0 | 113.9 | E851 A853 | E851-S855 WeakPolarHBondContact O-CB 3.49Å; E851-S855 PolarHBondContact O-N 2.8Å; A853-S855 VanDerWaalsContact C-N 3.3Å; A853-S855 PolarHBondContact O-N 2.85Å |
| 856 | S | 38.8 | Very low | 42.1 | Very low | 84 Ų | 84 | 115.6 Ų | 115.6 | 59% | 0.587 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -101.2 | -16 | 178.6 | -62.4 | 0 | 0 | 0 | 0 | 115.2 | A853 E854 | A853-S856 PolarHBondContact O-N 3.24Å; A853-S856 VanDerWaalsContact O-N 3.17Å; E854-S856 PolarHBondContact O-N 2.88Å |
| 857 | L | 33.5 | Very low | 41.5 | Very low | 82 Ų | 82 | 118.7 Ų | 118.7 | 43% | 0.429 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -109.4 | -35 | -161.7 | -92.7 | 165.9 | 0 | 0 | 0 | 115.9 | E854 R861 | E854-L857 PolarHBondContact O-N 3.16Å; L857-R861 WeakPolarHBondContact O-CD 3.2Å; L857-R861 WeakPolarHBondContact O-CG 3.38Å |
| 858 | H | 50.2 | Low | 40.7 | Very low | 125 Ų | 125 | 119.2 Ų | 119.2 | 58% | 0.579 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -8.5 | 177.5 | -118.1 | -65.1 | 0 | 0 | 0 | 114.7 | I860 R861 | H858-I860 PolarHBondContact O-N 3.23Å; H858-I860 VanDerWaalsContact O-N 3.08Å; H858-R861 PolarHBondContact CE1-O 3.32Å; H858-R861 VanDerWaalsContact CE1-O 3.24Å; H858-R861 PolarHBondContact ND1-O 2.81Å; H858-R861 PolarHBondContact O-N 3.27Å |
| 859 | L | 45.1 | Very low | 39.7 | Very low | 157 Ų | 157 | 121.9 Ų | 121.9 | 82% | 0.822 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52 | -28.4 | 169.3 | -173.8 | 69 | 0 | 0 | 0 | 113.5 | ||
| 860 | I | 33.2 | Very low | 38.8 | Very low | 136 Ų | 136 | 121.3 Ų | 121.3 | 70% | 0.697 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | -28.9 | -178.5 | -68.2 | 172.5 | 0 | 0 | 0 | 112.4 | H858 | H858-I860 PolarHBondContact O-N 3.23Å; H858-I860 VanDerWaalsContact O-N 3.08Å |
| 861 | R | 34.9 | Very low | 38.1 | Very low | 149 Ų | 149 | 123.3 Ų | 123.3 | 56% | 0.562 | 67% | 0.673 | S | S | * | * | trans | -99.8 | 139.1 | -151.7 | -71.2 | -175.9 | 178.1 | -171.2 | 1.3 | 113.2 | L857 H858 | L857-R861 WeakPolarHBondContact O-CD 3.2Å; L857-R861 WeakPolarHBondContact O-CG 3.38Å; H858-R861 PolarHBondContact CE1-O 3.32Å; H858-R861 VanDerWaalsContact CE1-O 3.24Å; H858-R861 PolarHBondContact ND1-O 2.81Å; H858-R861 PolarHBondContact O-N 3.27Å | ||
| 862 | A | 39.6 | Very low | 37.3 | Very low | 72 Ų | 72 | 127.6 Ų | 127.6 | 60% | 0.595 | 68% | 0.683 | S | S | * | * | trans | 41.3 | 78.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 863 | K | 40.5 | Very low | 36.9 | Very low | 180 Ų | 180 | 124.7 Ų | 124.7 | 78% | 0.783 | 68% | 0.68 | S | S | * | * | 37.3 | 131.2 | 68.4 | -44.3 | 176.5 | -179.8 | 178 | 0 | 111.2 | |||||
| 864 | H | 37.8 | Very low | 36.4 | Very low | 139 Ų | 139 | 130.9 Ų | 130.9 | 64% | 0.644 | 70% | 0.703 | S | S | * | * | trans | 82.5 | 108.9 | -172.8 | -64.3 | -142.8 | 0 | 0 | 0 | 110.2 | ||||
| 865 | R | 32.5 | Very low | 36.1 | Very low | 200 Ų | 200 | 127.9 Ų | 127.9 | 76% | 0.755 | 70% | 0.698 | S | S | * | * | 69.6 | 131.8 | 73.4 | -73.1 | -177.8 | -102.3 | -148.5 | -6 | 109.8 | |||||
| 866 | S | 31.4 | Very low | 35.8 | Very low | 93 Ų | 93 | 126.9 Ų | 126.9 | 65% | 0.65 | 69% | 0.691 | S | S | * | * | cis | 177.3 | 178.6 | -2.9 | 44.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 867 | S | 30.3 | Very low | 36.4 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 69% | 0.692 | 70% | 0.702 | S | S | * | * | trans | 75.6 | 130.2 | 157.7 | 84.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 868 | V | 29.7 | Very low | 37.1 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | 87.1 | 124.1 | 96.9 | 161.2 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 869 | S | 29.3 | Very low | 36.4 | Very low | 91 Ų | 91 | 138.4 Ų | 138.4 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | cis | -166.1 | 165.2 | 1.6 | 43.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 870 | L | 29.7 | Very low | 36 | Very low | 171 Ų | 171 | 137.4 Ų | 137.4 | 90% | 0.895 | 75% | 0.745 | S | S | * | * | trans | 21.6 | 123 | 149.3 | -73.1 | 75.5 | 0 | 0 | 0 | 117.2 | ||||
| 871 | G | 30.1 | Very low | 36.1 | Very low | 77 Ų | 77 | 137.5 Ų | 137.5 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | cis | 114.9 | 174.2 | 38 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 872 | R | 29.8 | Very low | 36.2 | Very low | 242 Ų | 242 | 136.8 Ų | 136.8 | 91% | 0.913 | 76% | 0.759 | S | S | * | * | trans | 89 | 90.8 | 164.9 | -156.4 | 167.8 | -162.7 | -179.8 | 5.9 | 120.4 | ||||
| 873 | S | 40.1 | Very low | 36 | Very low | 102 Ų | 102 | 140.9 Ų | 140.9 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | 41.7 | 99.1 | 138.8 | 66.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 874 | M | 34.7 | Very low | 35.7 | Very low | 179 Ų | 179 | 138.3 Ų | 138.3 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | trans | -170.1 | 158.1 | 155 | -102 | -54.3 | -142 | 0 | 0 | 106.2 | ||||
| 875 | S | 39.2 | Very low | 35.5 | Very low | 80 Ų | 80 | 138.2 Ų | 138.2 | 56% | 0.559 | 78% | 0.777 | S | S | * | * | cis | -157.4 | 168.4 | -4.6 | -157.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 876 | S | 41 | Very low | 35.8 | Very low | 74 Ų | 74 | 133.5 Ų | 133.5 | 52% | 0.517 | 78% | 0.779 | S | S | . | * | trans | -9.9 | 148.9 | 148.8 | 60.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 877 | K | 52 | Low | 36.1 | Very low | 190 Ų | 190 | 136.8 Ų | 136.8 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | 179.5 | 147.5 | 104.8 | -88.8 | 145.9 | -166.7 | 173.7 | 0 | 110.8 | |||||
| 878 | V | 47.5 | Very low | 36.7 | Very low | 205 Ų | 205 | 140.3 Ų | 140.3 | 100% | 1.242 | 80% | 0.798 | S | S | * | * | cis | -96.9 | 0 | -5.1 | 174.6 | 0 | 0 | 0 | 0 | 109.6 |
Retrieved 878 of 878 residues in 453.7 ms
(Link to these results)