| 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 | 47.6 | Very low | 49.9 | Very low | 241 Ų | 241 | 149.2 Ų | 149.2 | 100% | 1.187 | 85% | 0.85 | S | S | * | * | 0 | 118.3 | 0 | -82.7 | 97.6 | 101.2 | 0 | 0 | 108.7 | |||||
| 2 | S | 45.7 | Very low | 49.7 | Very low | 118 Ų | 118 | 154.7 Ų | 154.7 | 83% | 0.825 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 141.8 | 169.3 | -59 | 0 | 0 | 0 | 0 | 109.6 | ||
| 3 | P | 61.4 | Low | 49.4 | Very low | 119 Ų | 119 | 150.7 Ų | 150.7 | 77% | 0.773 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 147.1 | 168.6 | 28.6 | -30.6 | 0 | 0 | 0 | 110.7 | ||
| 4 | P | 55.5 | Low | 49.5 | Very low | 126 Ų | 126 | 145.9 Ų | 145.9 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 141.5 | 179.6 | 30.6 | -31.7 | 0 | 0 | 0 | 111.9 | ||
| 5 | D | 44.5 | Very low | 48.8 | Very low | 154 Ų | 154 | 149.1 Ų | 149.1 | 82% | 0.824 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 128 | 167.3 | -99.7 | -63.2 | 0 | 0 | 0 | 111.3 | ||
| 6 | Y | 51.8 | Low | 48.2 | Very low | 227 Ų | 227 | 151.9 Ų | 151.9 | 89% | 0.89 | 82% | 0.82 | S | S | * | * | trans | -116.5 | 79.5 | 168.8 | -154.2 | -90.6 | 0 | 0 | 0 | 109.8 | ||||
| 7 | S | 53.2 | Low | 47.8 | Very low | 94 Ų | 94 | 149 Ų | 149 | 66% | 0.657 | 82% | 0.821 | S | S | * | * | trans | -96.8 | 129.2 | 170 | 59.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 8 | M | 46.1 | Very low | 47.8 | Very low | 183 Ų | 183 | 146.7 Ų | 146.7 | 90% | 0.901 | 82% | 0.818 | S | S | * | * | trans | 64.6 | 119.6 | 161 | -77.8 | 179.1 | 167.6 | 0 | 0 | 118.6 | ||||
| 9 | A | 46.8 | Very low | 47.4 | Very low | 96 Ų | 96 | 143.1 Ų | 143.1 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | 174.9 | 148.5 | 83.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 10 | L | 48.3 | Very low | 47 | Very low | 171 Ų | 171 | 141.4 Ų | 141.4 | 90% | 0.895 | 82% | 0.821 | S | S | * | * | trans | -56.7 | 134.4 | 173.4 | -73.8 | 116.1 | 0 | 0 | 0 | 113.5 | ||||
| 11 | S | 47.7 | Very low | 46.9 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 78% | 0.783 | 83% | 0.825 | S | S | * | * | 168.7 | 81.8 | 119.5 | 60.6 | 0 | 0 | 0 | 0 | 111 | S13 | S11-S13 PolarHBondContact O-N 2.98Š| |||
| 12 | Y | 47.8 | Very low | 46.5 | Very low | 215 Ų | 215 | 132.3 Ų | 132.3 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -79 | 98.7 | 162.4 | -177.8 | -101.3 | 0 | 0 | 0 | 107.8 | P14 | Y12-P14 HydrophobicContact CD1-CG 4.39Å; Y12-P14 HydrophobicContact CE1-CG 4.21Å | ||
| 13 | S | 46.2 | Very low | 46.3 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | trans | -95.3 | 112.9 | 174.6 | -167.6 | 0 | 0 | 0 | 0 | 108.6 | S11 | S11-S13 PolarHBondContact O-N 2.98Š| ||
| 14 | P | 51.1 | Low | 45.2 | Very low | 83 Ų | 83 | 135.2 Ų | 135.2 | 54% | 0.539 | 81% | 0.808 | S | S | . | * | trans | -73.7 | 130.2 | 177.5 | -9.3 | 25.5 | 0 | 0 | 0 | 110.2 | Y12 Y16 | Y12-P14 HydrophobicContact CD1-CG 4.39Å; Y12-P14 HydrophobicContact CE1-CG 4.21Å; P14-Y16 PolarHBondContact O-N 2.8Å | ||
| 15 | E | 37.8 | Very low | 44.7 | Very low | 195 Ų | 195 | 137.5 Ų | 137.5 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | trans | -56.7 | 124.2 | 172.5 | -70 | -151.7 | 130 | 0 | 0 | 111.9 | ||||
| 16 | Y | 39.6 | Very low | 44.8 | Very low | 194 Ų | 194 | 135.5 Ų | 135.5 | 76% | 0.761 | 81% | 0.805 | S | S | * | * | trans | -112.7 | 103.7 | 150.7 | 53.1 | -88.4 | 0 | 0 | 0 | 107.1 | P14 S18 | P14-Y16 PolarHBondContact O-N 2.8Å; Y16-S18 VanDerWaalsContact C-N 3.35Å; Y16-S18 PolarHBondContact O-N 2.94Å | ||
| 17 | A | 42.5 | Very low | 44.4 | Very low | 102 Ų | 102 | 133.2 Ų | 133.2 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -67 | 95 | 169 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 18 | S | 46.8 | Very low | 43.8 | Very low | 108 Ų | 108 | 139.3 Ų | 139.3 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | -84.5 | 103.5 | 162.5 | -73.6 | 0 | 0 | 0 | 0 | 108.4 | Y16 | Y16-S18 VanDerWaalsContact C-N 3.35Å; Y16-S18 PolarHBondContact O-N 2.94Å | ||
| 19 | G | 39.5 | Very low | 43.3 | Very low | 78 Ų | 78 | 134 Ų | 134 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -146.7 | 78 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 20 | A | 40.8 | Very low | 43 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | trans | -137.3 | 89.7 | 167 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 21 | A | 44 | Very low | 43.1 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | trans | -124.7 | 114.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 22 | G | 38.9 | Very low | 43.4 | Very low | 83 Ų | 83 | 131.7 Ų | 131.7 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | trans | -177.6 | 74.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 23 | L | 41.9 | Very low | 43.7 | Very low | 172 Ų | 172 | 127.6 Ų | 127.6 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | trans | -90.4 | 105.6 | 179 | 177 | 85.4 | 0 | 0 | 0 | 108.4 | ||||
| 24 | D | 37.9 | Very low | 43.7 | Very low | 125 Ų | 125 | 126.2 Ų | 126.2 | 67% | 0.668 | 80% | 0.802 | S | S | * | * | trans | 171.4 | 122.5 | 136.9 | 75.1 | -69.9 | 0 | 0 | 0 | 111.4 | ||||
| 25 | H | 44.7 | Very low | 43.5 | Very low | 175 Ų | 175 | 127.3 Ų | 127.3 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | -177.9 | 113.2 | 129.2 | -107.4 | 64.4 | 0 | 0 | 0 | 108.8 | H27 | H25-H27 PolarHBondContact O-N 3.47Š| |||
| 26 | S | 46.8 | Very low | 43.9 | Very low | 111 Ų | 111 | 121.6 Ų | 121.6 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | trans | -64.6 | 115.2 | 173.1 | -165.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 27 | H | 43.4 | Very low | 44.5 | Very low | 179 Ų | 179 | 118 Ų | 118 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | trans | -134.5 | 97.2 | 163.4 | -161.1 | 72.6 | 0 | 0 | 0 | 109.3 | H25 G29 | H25-H27 PolarHBondContact O-N 3.47Å; H27-G29 PolarHBondContact O-N 3.07Å | ||
| 28 | Y | 40.3 | Very low | 45 | Very low | 223 Ų | 223 | 118.8 Ų | 118.8 | 88% | 0.875 | 81% | 0.809 | S | S | * | * | trans | -62.6 | 123.5 | 171.6 | -115.7 | -101.2 | 0 | 0 | 0 | 109.6 | ||||
| 29 | G | 37.5 | Very low | 44.9 | Very low | 72 Ų | 72 | 117.1 Ų | 117.1 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | trans | -173 | 77.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | H27 | H27-G29 PolarHBondContact O-N 3.07Š| ||
| 30 | G | 38.9 | Very low | 45.7 | Very low | 78 Ų | 78 | 122 Ų | 122 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | 74.4 | 95.3 | 141.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 31 | V | 51 | Low | 46.2 | Very low | 138 Ų | 138 | 120 Ų | 120 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 125.2 | 157.6 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | ||
| 32 | P | 54.7 | Low | 46.7 | Very low | 114 Ų | 114 | 118 Ų | 118 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 134.3 | 163.6 | 30.5 | -29.5 | 0 | 0 | 0 | 110.7 | ||
| 33 | P | 53.7 | Low | 47.8 | Very low | 129 Ų | 129 | 119.6 Ų | 119.6 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 126.4 | 175.9 | 34 | -28.2 | 0 | 0 | 0 | 110.3 | ||
| 34 | G | 46 | Very low | 48.8 | Very low | 73 Ų | 73 | 121.4 Ų | 121.4 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | -168.9 | 101.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 35 | A | 47.1 | Very low | 49.7 | Very low | 106 Ų | 106 | 120 Ų | 120 | 88% | 0.876 | 78% | 0.783 | S | S | * | * | trans | 62.5 | 118 | 148.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 36 | G | 45.3 | Very low | 50.4 | Low | 76 Ų | 76 | 116.6 Ų | 116.6 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | trans | -75.5 | -155.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 37 | P | 52.9 | Low | 51 | Low | 117 Ų | 117 | 120.4 Ų | 120.4 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | cis | -117.4 | 177.7 | -8.7 | 38.2 | -22.2 | 0 | 0 | 0 | 113.1 | G39 | P37-G39 PolarHBondContact O-N 3.03Š| ||
| 38 | P | 52.3 | Low | 51.8 | Low | 119 Ų | 119 | 121.9 Ų | 121.9 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -77.3 | 91 | 177 | 31.6 | -32.3 | 0 | 0 | 0 | 110.9 | L40 | P38-L40 PolarHBondContact O-N 3.04Š| ||
| 39 | G | 44.8 | Very low | 53.2 | Low | 73 Ų | 73 | 118.4 Ų | 118.4 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | trans | -66.7 | 99.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | P37 G41 | P37-G39 PolarHBondContact O-N 3.03Å; G39-G41 VanDerWaalsContact C-N 3.26Å; G39-G41 PolarHBondContact O-N 2.95Å | ||
| 40 | L | 57.5 | Low | 55.2 | Low | 182 Ų | 182 | 117.1 Ų | 117.1 | 95% | 0.953 | 75% | 0.747 | S | S | * | * | trans | -61.4 | 81.4 | 171.9 | -66.5 | 166.4 | 0 | 0 | 0 | 110.9 | P38 | P38-L40 PolarHBondContact O-N 3.04Š| ||
| 41 | G | 51.4 | Low | 57.2 | Low | 66 Ų | 66 | 118.1 Ų | 118.1 | 68% | 0.68 | 74% | 0.738 | S | S | * | * | trans | -123 | 16.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | G39 | G39-G41 VanDerWaalsContact C-N 3.26Å; G39-G41 PolarHBondContact O-N 2.95Å | ||
| 42 | G | 54.6 | Low | 58.9 | Low | 66 Ų | 66 | 114.2 Ų | 114.2 | 68% | 0.68 | 72% | 0.72 | S | S | * | * | trans | -62.7 | 123.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R44 | G42-R44 PolarHBondContact O-N 3.42Š| ||
| 43 | P | 61.1 | Low | 60.8 | Low | 118 Ų | 118 | 114.2 Ų | 114.2 | 77% | 0.766 | 71% | 0.713 | S | S | * | * | trans | -62.4 | 112.9 | 175.8 | 24.1 | -30.3 | 0 | 0 | 0 | 108.6 | ||||
| 44 | R | 62.4 | Low | 62.7 | Low | 209 Ų | 209 | 116 Ų | 116 | 79% | 0.789 | 70% | 0.704 | S | S | * | * | trans | -46.8 | 131.5 | 171.3 | -69.8 | -176.8 | -167.6 | -110.7 | 2.8 | 108.6 | G42 V46 | G42-R44 PolarHBondContact O-N 3.42Å; R44-V46 PolarHBondContact O-N 3.08Å | ||
| 45 | P | 57.6 | Low | 65.1 | Low | 96 Ų | 96 | 120.3 Ų | 120.3 | 62% | 0.623 | 70% | 0.702 | S | S | * | * | trans | -61.8 | 102.7 | -170.3 | 19.9 | -29.7 | 0 | 0 | 0 | 110.9 | K47 R48 | P45-K47 PolarHBondContact O-N 3.23Å; P45-K47 VanDerWaalsContact O-N 3.08Å; P45-R48 PolarHBondContact O-N 3.15Å | ||
| 46 | V | 59.9 | Low | 67.4 | Low | 103 Ų | 103 | 119.5 Ų | 119.5 | 62% | 0.624 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -21.8 | -178.9 | -149.5 | 0 | 0 | 0 | 0 | 111.7 | R44 R48 R49 G50 | R44-V46 PolarHBondContact O-N 3.08Å; V46-R48 PolarHBondContact O-N 2.9Å; V46-R49 PolarHBondContact O-N 3.18Å; V46-G50 PolarHBondContact O-N 3.32Å |
| 47 | K | 58.8 | Low | 69.9 | Low | 191 Ų | 191 | 125 Ų | 125 | 83% | 0.83 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -62.2 | -36.4 | -177 | -74.3 | 174.5 | 174.4 | 179 | 0 | 114.2 | P45 R49 | P45-K47 PolarHBondContact O-N 3.23Å; P45-K47 VanDerWaalsContact O-N 3.08Å; K47-R49 VanDerWaalsContact C-N 3.34Å; K47-R49 PolarHBondContact O-N 2.93Å |
| 48 | R | 59.7 | Low | 72 | Confident | 210 Ų | 210 | 127.3 Ų | 127.3 | 79% | 0.792 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -75.5 | -21.5 | 179 | -69.2 | -170.6 | 177.3 | -126 | 1 | 113.6 | P45 V46 T51 | P45-R48 PolarHBondContact O-N 3.15Å; V46-R48 PolarHBondContact O-N 2.9Å; R48-T51 PolarHBondContact O-OG1 3.45Å |
| 49 | R | 70.1 | Confident | 74.2 | Confident | 151 Ų | 151 | 128.4 Ų | 128.4 | 57% | 0.57 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -78.7 | -35.1 | 177.4 | -72.8 | 180 | 162.6 | -175.6 | -6.4 | 112.1 | V46 K47 T51 A52 N53 | V46-R49 PolarHBondContact O-N 3.18Å; K47-R49 VanDerWaalsContact C-N 3.34Å; K47-R49 PolarHBondContact O-N 2.93Å; R49-T51 VanDerWaalsContact C-N 3.35Å; R49-T51 PolarHBondContact O-N 3.48Å; R49-A52 PolarHBondContact O-N 2.93Å; R49-N53 WeakPolarHBondContact O-CB 3.21Å; R49-N53 VanDerWaalsContact O-CG 3.32Å; R49-N53 PolarHBondContact O-N 3.47Å; R49-N53 PolarHBondContact O-OD1 3.12Å |
| 50 | G | 80.1 | Confident | 76.8 | Confident | 45 Ų | 45 | 127.5 Ų | 127.5 | 46% | 0.464 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -60.6 | -41.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V46 R54 | V46-G50 PolarHBondContact O-N 3.32Å; G50-R54 WeakPolarHBondContact O-CB 3.3Å; G50-R54 PolarHBondContact O-N 3.28Å; G50-R54 VanDerWaalsContact O-N 3.07Å |
| 51 | T | 80.4 | Confident | 78.7 | Confident | 99 Ų | 99 | 124.8 Ų | 124.8 | 61% | 0.607 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70.2 | -43.6 | 178.6 | 54.4 | 0 | 0 | 0 | 0 | 111.9 | R48 R49 R54 K55 | R48-T51 PolarHBondContact O-OG1 3.45Å; R49-T51 VanDerWaalsContact C-N 3.35Å; R49-T51 PolarHBondContact O-N 3.48Å; T51-R54 PolarHBondContact O-N 2.94Å; T51-K55 PolarHBondContact O-N 3.45Å |
| 52 | A | 86.5 | Confident | 81 | Confident | 55 Ų | 55 | 125.6 Ų | 125.6 | 46% | 0.455 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -61.7 | -47.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R49 R54 K55 E56 | R49-A52 PolarHBondContact O-N 2.93Å; A52-R54 VanDerWaalsContact C-N 3.31Å; A52-R54 PolarHBondContact O-N 3.38Å; A52-K55 WeakPolarHBondContact O-CB 3.36Å; A52-K55 PolarHBondContact O-N 3.02Å; A52-K55 VanDerWaalsContact O-N 3.13Å; A52-E56 PolarHBondContact O-N 2.95Å |
| 53 | N | 94.3 | Very high | 83 | Confident | 114 Ų | 114 | 125.3 Ų | 125.3 | 61% | 0.61 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.6 | -37.9 | 177.6 | -74.2 | 44.4 | 0 | 0 | 0 | 112.1 | R49 K55 E56 R57 | R49-N53 WeakPolarHBondContact O-CB 3.21Å; R49-N53 VanDerWaalsContact O-CG 3.32Å; R49-N53 PolarHBondContact O-N 3.47Å; R49-N53 PolarHBondContact O-OD1 3.12Å; N53-K55 VanDerWaalsContact C-N 3.34Å; N53-E56 PolarHBondContact O-N 3.46Å; N53-R57 PolarHBondContact O-N 2.78Å |
| 54 | R | 93.6 | Very high | 84.7 | Confident | 168 Ų | 168 | 123.1 Ų | 123.1 | 63% | 0.634 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.2 | -41.9 | 174.4 | -177.8 | 177.5 | -67.4 | -162.1 | -2.3 | 111.3 | G50 T51 A52 R57 R58 | G50-R54 WeakPolarHBondContact O-CB 3.3Å; G50-R54 PolarHBondContact O-N 3.28Å; G50-R54 VanDerWaalsContact O-N 3.07Å; T51-R54 PolarHBondContact O-N 2.94Å; A52-R54 VanDerWaalsContact C-N 3.31Å; A52-R54 PolarHBondContact O-N 3.38Å; R54-R57 PolarHBondContact O-N 3.2Å; R54-R58 WeakPolarHBondContact O-CG 3.45Å; R54-R58 PolarHBondContact O-N 3.4Å; R54-R58 VanDerWaalsContact O-N 3.1Å |
| 55 | K | 95.8 | Very high | 86.4 | Confident | 163 Ų | 163 | 115.9 Ų | 115.9 | 71% | 0.709 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.7 | -46.5 | 177.6 | -171.2 | 177.6 | -179.5 | 179.7 | 0 | 111.6 | T51 A52 N53 R57 R58 R59 | T51-K55 PolarHBondContact O-N 3.45Å; A52-K55 WeakPolarHBondContact O-CB 3.36Å; A52-K55 PolarHBondContact O-N 3.02Å; A52-K55 VanDerWaalsContact O-N 3.13Å; N53-K55 VanDerWaalsContact C-N 3.34Å; K55-R57 VanDerWaalsContact C-N 3.33Å; K55-R57 PolarHBondContact O-N 2.97Å; K55-R58 PolarHBondContact O-N 3.11Å; K55-R59 PolarHBondContact O-N 2.95Å |
| 56 | E | 96.5 | Very high | 88.3 | Confident | 88 Ų | 88 | 113.8 Ų | 113.8 | 41% | 0.411 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65 | -38 | 179.5 | -174.6 | 53 | -142.4 | 0 | 0 | 112.3 | A52 N53 R58 R59 T60 | A52-E56 PolarHBondContact O-N 2.95Å; N53-E56 PolarHBondContact O-N 3.46Å; E56-R58 VanDerWaalsContact C-N 3.34Å; E56-R58 PolarHBondContact O-N 3.22Å; E56-R59 PolarHBondContact O-N 3.4Å; E56-R59 IonicContact OE1-CZ 3.39Å; E56-R59 IonicContact OE1-NH1 3.85Å; E56-R59 PolarHBondContact OE1-NH1 3.21Å; E56-R59 IonicContact OE2-NH1 3.94Å; E56-T60 WeakPolarHBondContact O-CB 3.3Å; E56-T60 PolarHBondContact O-N 3.41Å; E56-T60 PolarHBondContact O-OG1 3.47Å; E56-T60 VanDerWaalsContact O-OG1 3.13Å; E56-T60 PolarHBondContact OE1-OG1 2.98Å |
| 57 | R | 97.8 | Very high | 90.1 | Very high | 192 Ų | 192 | 110.5 Ų | 110.5 | 73% | 0.725 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.9 | -45.4 | 173.8 | -176.2 | -178.2 | -68.8 | -123.5 | 0.4 | 111.4 | N53 R54 K55 T60 Q61 | N53-R57 PolarHBondContact O-N 2.78Å; R54-R57 PolarHBondContact O-N 3.2Å; K55-R57 VanDerWaalsContact C-N 3.33Å; K55-R57 PolarHBondContact O-N 2.97Å; R57-T60 PolarHBondContact O-N 2.86Å; R57-Q61 WeakPolarHBondContact O-CB 3.35Å; R57-Q61 PolarHBondContact O-N 3.34Å |
| 58 | R | 97.8 | Very high | 91.8 | Very high | 166 Ų | 166 | 103.4 Ų | 103.4 | 63% | 0.626 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.6 | -44.2 | 177.1 | -73.2 | -178.5 | 176.8 | -156.1 | -2.1 | 111.8 | R54 K55 E56 T60 Q61 S62 | R54-R58 WeakPolarHBondContact O-CG 3.45Å; R54-R58 PolarHBondContact O-N 3.4Å; R54-R58 VanDerWaalsContact O-N 3.1Å; K55-R58 PolarHBondContact O-N 3.11Å; E56-R58 VanDerWaalsContact C-N 3.34Å; E56-R58 PolarHBondContact O-N 3.22Å; R58-T60 PolarHBondContact O-N 3.46Å; R58-Q61 PolarHBondContact O-N 3.47Å; R58-S62 PolarHBondContact O-N 3.07Å |
| 59 | R | 98.3 | Very high | 93.5 | Very high | 141 Ų | 141 | 99.1 Ų | 99.1 | 53% | 0.532 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.4 | -49.9 | 174.8 | 178.6 | -176.8 | 167.5 | -85.6 | -5.4 | 111.2 | K55 E56 Q61 S62 I63 | K55-R59 PolarHBondContact O-N 2.95Å; E56-R59 PolarHBondContact O-N 3.4Å; E56-R59 IonicContact OE1-CZ 3.39Å; E56-R59 IonicContact OE1-NH1 3.85Å; E56-R59 PolarHBondContact OE1-NH1 3.21Å; E56-R59 IonicContact OE2-NH1 3.94Å; R59-Q61 VanDerWaalsContact C-N 3.33Å; R59-Q61 PolarHBondContact O-N 3.26Å; R59-S62 PolarHBondContact O-N 3.27Å; R59-I63 HydrophobicContact CG-CD1 4.21Å; R59-I63 WeakPolarHBondContact O-CG1 3.42Å; R59-I63 PolarHBondContact O-N 3.5Å |
| 60 | T | 98.3 | Very high | 94.7 | Very high | 55 Ų | 55 | 94.6 Ų | 94.6 | 34% | 0.337 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 178.1 | -63.9 | 0 | 0 | 0 | 0 | 111.9 | E56 R57 R58 I63 N64 | E56-T60 WeakPolarHBondContact O-CB 3.3Å; E56-T60 PolarHBondContact O-N 3.41Å; E56-T60 PolarHBondContact O-OG1 3.47Å; E56-T60 VanDerWaalsContact O-OG1 3.13Å; E56-T60 PolarHBondContact OE1-OG1 2.98Å; R57-T60 PolarHBondContact O-N 2.86Å; R58-T60 PolarHBondContact O-N 3.46Å; T60-I63 PolarHBondContact O-N 3.39Å; T60-N64 VanDerWaalsContact O-CG 3.25Å; T60-N64 PolarHBondContact O-N 3.09Å; T60-N64 PolarHBondContact O-ND2 3.15Å |
| 61 | Q | 98.2 | Very high | 95.4 | Very high | 125 Ų | 125 | 95.8 Ų | 95.8 | 58% | 0.584 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62 | -46.6 | 176.1 | -174.3 | 174.4 | 12.1 | 0 | 0 | 111.3 | R57 R58 R59 I63 N64 S65 | R57-Q61 WeakPolarHBondContact O-CB 3.35Å; R57-Q61 PolarHBondContact O-N 3.34Å; R58-Q61 PolarHBondContact O-N 3.47Å; R59-Q61 VanDerWaalsContact C-N 3.33Å; R59-Q61 PolarHBondContact O-N 3.26Å; Q61-I63 VanDerWaalsContact C-N 3.33Å; Q61-I63 PolarHBondContact O-N 2.87Å; Q61-N64 PolarHBondContact O-N 3.48Å; Q61-N64 VanDerWaalsContact O-N 3.1Å; Q61-S65 PolarHBondContact O-N 3.02Å; Q61-S65 PolarHBondContact O-OG 3.44Å |
| 62 | S | 98.4 | Very high | 96 | Very high | 82 Ų | 82 | 98.9 Ų | 98.9 | 57% | 0.573 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -57.7 | -44 | 175.5 | 168.9 | 0 | 0 | 0 | 0 | 112.1 | R58 R59 N64 S65 A66 | R58-S62 PolarHBondContact O-N 3.07Å; R59-S62 PolarHBondContact O-N 3.27Å; S62-N64 VanDerWaalsContact C-N 3.33Å; S62-N64 PolarHBondContact O-N 2.94Å; S62-S65 PolarHBondContact O-N 3.35Å; S62-A66 PolarHBondContact O-N 3.1Å |
| 63 | I | 98.1 | Very high | 96.4 | Very high | 60 Ų | 60 | 100.2 Ų | 100.2 | 31% | 0.308 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 175.1 | -66.8 | 166.2 | 0 | 0 | 0 | 111.1 | R59 T60 Q61 A66 F67 | R59-I63 HydrophobicContact CG-CD1 4.21Å; R59-I63 WeakPolarHBondContact O-CG1 3.42Å; R59-I63 PolarHBondContact O-N 3.5Å; T60-I63 PolarHBondContact O-N 3.39Å; Q61-I63 VanDerWaalsContact C-N 3.33Å; Q61-I63 PolarHBondContact O-N 2.87Å; I63-A66 PolarHBondContact O-N 3.34Å; I63-F67 HydrophobicContact CG2-CD2 3.93Å; I63-F67 HydrophobicContact CG2-CE2 4.18Å; I63-F67 WeakPolarHBondContact O-CD2 3.37Å; I63-F67 PolarHBondContact O-N 3.04Å |
| 64 | N | 97.1 | Very high | 96.4 | Very high | 73 Ų | 73 | 95.1 Ų | 95.1 | 39% | 0.39 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.5 | -35.7 | -179.1 | -70.1 | -23.7 | 0 | 0 | 0 | 112.3 | T60 Q61 S62 F67 A68 | T60-N64 VanDerWaalsContact O-CG 3.25Å; T60-N64 PolarHBondContact O-N 3.09Å; T60-N64 PolarHBondContact O-ND2 3.15Å; Q61-N64 PolarHBondContact O-N 3.48Å; Q61-N64 VanDerWaalsContact O-N 3.1Å; S62-N64 VanDerWaalsContact C-N 3.33Å; S62-N64 PolarHBondContact O-N 2.94Å; N64-F67 WeakPolarHBondContact O-CB 3.46Å; N64-F67 PolarHBondContact O-N 3.28Å; N64-A68 PolarHBondContact O-N 2.87Å |
| 65 | S | 97.3 | Very high | 96.3 | Very high | 57 Ų | 57 | 88.9 Ų | 88.9 | 40% | 0.399 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.2 | -50 | 172.4 | -67.1 | 0 | 0 | 0 | 0 | 111.3 | Q61 S62 F67 A68 E69 | Q61-S65 PolarHBondContact O-N 3.02Å; Q61-S65 PolarHBondContact O-OG 3.44Å; S62-S65 PolarHBondContact O-N 3.35Å; S65-F67 PolarHBondContact O-N 2.9Å; S65-A68 WeakPolarHBondContact O-CA 3.37Å; S65-A68 VanDerWaalsContact O-CB 3.31Å; S65-A68 WeakPolarHBondContact O-CB 3.18Å; S65-A68 PolarHBondContact O-N 3.02Å; S65-E69 PolarHBondContact O-N 3.38Å |
| 66 | A | 97.6 | Very high | 95.8 | Very high | 52 Ų | 52 | 86.8 Ų | 86.8 | 43% | 0.43 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.5 | -36.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S62 I63 A68 L70 | S62-A66 PolarHBondContact O-N 3.1Å; I63-A66 PolarHBondContact O-N 3.34Å; A66-A68 VanDerWaalsContact C-N 3.31Å; A66-A68 PolarHBondContact O-N 2.82Å; A66-L70 WeakPolarHBondContact O-CB 3.37Å; A66-L70 PolarHBondContact O-N 2.94Å |
| 67 | F | 97.1 | Very high | 95.3 | Very high | 33 Ų | 33 | 83.8 Ų | 83.8 | 15% | 0.145 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -65.8 | -32.4 | 172.3 | -103.2 | -79.7 | 0 | 0 | 0 | 112.7 | I63 N64 S65 R71 K85 T88 L89 | I63-F67 HydrophobicContact CG2-CD2 3.93Å; I63-F67 HydrophobicContact CG2-CE2 4.18Å; I63-F67 WeakPolarHBondContact O-CD2 3.37Å; I63-F67 PolarHBondContact O-N 3.04Å; N64-F67 WeakPolarHBondContact O-CB 3.46Å; N64-F67 PolarHBondContact O-N 3.28Å; S65-F67 PolarHBondContact O-N 2.9Å; F67-R71 WeakPolarHBondContact O-CG 3.47Å; F67-R71 PolarHBondContact O-N 3.1Å; F67-R71 PolarHBondContact O-NH1 3.49Å; F67-K85 HydrophobicContact CD1-CG 4.23Å; F67-K85 HydrophobicContact CE1-CB 3.78Å; F67-K85 HydrophobicContact CE1-CG 3.89Å; F67-K85 HydrophobicContact CE2-CD 4.3Å; F67-K85 HydrophobicContact CE2-CG 4.37Å; F67-K85 HydrophobicContact CZ-CB 3.9Å; F67-K85 HydrophobicContact CZ-CD 4.25Å; F67-K85 HydrophobicContact CZ-CG 3.97Å; F67-T88 HydrophobicContact CD1-CG2 4.12Å; F67-T88 HydrophobicContact CE1-CG2 4.42Å; F67-L89 HydrophobicContact CE1-CD2 4.25Å; F67-L89 HydrophobicContact CE1-CG 4.13Å; F67-L89 HydrophobicContact CZ-CD1 4.31Å; F67-L89 HydrophobicContact CZ-CD2 4.17Å; F67-L89 HydrophobicContact CZ-CG 4.17Å |
| 68 | A | 94.3 | Very high | 94.6 | Very high | 42 Ų | 42 | 78.3 Ų | 78.3 | 35% | 0.347 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -69.4 | -48.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | N64 S65 A66 L70 R71 E72 | N64-A68 PolarHBondContact O-N 2.87Å; S65-A68 WeakPolarHBondContact O-CA 3.37Å; S65-A68 VanDerWaalsContact O-CB 3.31Å; S65-A68 WeakPolarHBondContact O-CB 3.18Å; S65-A68 PolarHBondContact O-N 3.02Å; A66-A68 VanDerWaalsContact C-N 3.31Å; A66-A68 PolarHBondContact O-N 2.82Å; A68-L70 VanDerWaalsContact C-N 3.29Å; A68-L70 PolarHBondContact O-N 3.08Å; A68-R71 WeakPolarHBondContact O-CB 3.39Å; A68-R71 PolarHBondContact O-N 3.3Å; A68-E72 PolarHBondContact O-N 3.25Å |
| 69 | E | 95.4 | Very high | 93.5 | Very high | 121 Ų | 121 | 75.9 Ų | 75.9 | 57% | 0.565 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -55.2 | -44.6 | 173.8 | -67.1 | 164.9 | -141.1 | 0 | 0 | 111.2 | S65 R71 E72 C73 | S65-E69 PolarHBondContact O-N 3.38Å; E69-R71 PolarHBondContact O-N 2.99Å; E69-E72 WeakPolarHBondContact O-CB 3.45Å; E69-E72 PolarHBondContact O-N 3.45Å; E69-E72 VanDerWaalsContact O-N 3.11Å; E69-C73 PolarHBondContact O-N 3.43Å; E69-C73 PolarHBondContact O-SG 3.4Å |
| 70 | L | 96.1 | Very high | 92.5 | Very high | 56 Ų | 56 | 75.5 Ų | 75.5 | 29% | 0.293 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.5 | -30.9 | 176.1 | -177.1 | 60.1 | 0 | 0 | 0 | 113.3 | A66 A68 C73 T88 L89 A92 | A66-L70 WeakPolarHBondContact O-CB 3.37Å; A66-L70 PolarHBondContact O-N 2.94Å; A68-L70 VanDerWaalsContact C-N 3.29Å; A68-L70 PolarHBondContact O-N 3.08Å; L70-C73 PolarHBondContact O-N 3.02Å; L70-T88 HydrophobicContact CB-CG2 4.3Å; L70-T88 HydrophobicContact CD2-CG2 3.79Å; L70-T88 HydrophobicContact CG-CG2 3.83Å; L70-L89 HydrophobicContact CD2-CD2 4.39Å; L70-A92 HydrophobicContact CD1-CB 3.87Å; L70-A92 HydrophobicContact CD2-CB 4.32Å; L70-A92 HydrophobicContact CG-CB 4.3Å |
| 71 | R | 95.2 | Very high | 91.9 | Very high | 69 Ų | 69 | 75.1 Ų | 75.1 | 26% | 0.26 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -71.5 | -34.5 | 177.3 | -71 | 176.6 | -170.8 | 90.1 | -1.9 | 111.9 | F67 A68 E69 C73 I74 L83 T88 | F67-R71 WeakPolarHBondContact O-CG 3.47Å; F67-R71 PolarHBondContact O-N 3.1Å; F67-R71 PolarHBondContact O-NH1 3.49Å; A68-R71 WeakPolarHBondContact O-CB 3.39Å; A68-R71 PolarHBondContact O-N 3.3Å; E69-R71 PolarHBondContact O-N 2.99Å; R71-C73 PolarHBondContact O-N 3.03Å; R71-I74 PolarHBondContact O-N 3.48Å; R71-I74 VanDerWaalsContact O-N 3.1Å; R71-L83 HydrophobicContact CG-CB 4.3Å; R71-L83 HydrophobicContact CG-CD1 4.25Å; R71-L83 PolarHBondContact NE-O 3.45Å; R71-L83 PolarHBondContact NH2-O 3.19Å; R71-T88 HydrophobicContact CG-CG2 3.74Å; R71-T88 PolarHBondContact NE-OG1 3.46Å |
| 72 | E | 93.6 | Very high | 91.3 | Very high | 165 Ų | 165 | 78.4 Ų | 78.4 | 77% | 0.771 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -65.5 | -26.8 | 178 | -63.8 | 175.5 | 178.2 | 0 | 0 | 111.6 | A68 E69 I74 | A68-E72 PolarHBondContact O-N 3.25Å; E69-E72 WeakPolarHBondContact O-CB 3.45Å; E69-E72 PolarHBondContact O-N 3.45Å; E69-E72 VanDerWaalsContact O-N 3.11Å; E72-I74 VanDerWaalsContact C-N 3.3Å; E72-I74 PolarHBondContact O-N 3.34Å |
| 73 | C | 94 | Very high | 90.9 | Very high | 82 Ų | 82 | 75 Ų | 75 | 55% | 0.554 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -8.9 | 174.4 | -55.4 | 0 | 0 | 0 | 0 | 114.4 | E69 L70 R71 P75 Y95 | E69-C73 PolarHBondContact O-N 3.43Å; E69-C73 PolarHBondContact O-SG 3.4Å; L70-C73 PolarHBondContact O-N 3.02Å; R71-C73 PolarHBondContact O-N 3.03Å; C73-P75 WeakPolarHBondContact O-CD 3.36Å; C73-Y95 WeakPolarHBondContact O-CE1 3.39Å |
| 74 | I | 93.9 | Very high | 90.7 | Very high | 7 Ų | 7 | 74.2 Ų | 74.2 | 4% | 0.036 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -89.4 | 115.2 | -177.7 | -62 | 169.3 | 0 | 0 | 0 | 109.2 | R71 E72 V77 L83 T88 L91 | R71-I74 PolarHBondContact O-N 3.48Å; R71-I74 VanDerWaalsContact O-N 3.1Å; E72-I74 VanDerWaalsContact C-N 3.3Å; E72-I74 PolarHBondContact O-N 3.34Å; I74-V77 HydrophobicContact CG2-CB 4.44Å; I74-V77 HydrophobicContact CG2-CG2 3.66Å; I74-L83 HydrophobicContact CD1-CD1 3.63Å; I74-T88 HydrophobicContact CD1-CG2 3.91Å; I74-L91 HydrophobicContact CD1-CB 3.89Å; I74-L91 HydrophobicContact CG1-CB 4.43Å; I74-L91 HydrophobicContact CG2-CB 4.05Å; I74-L91 HydrophobicContact CG2-CD1 4.22Å |
| 75 | P | 92.1 | Very high | 90.5 | Very high | 38 Ų | 38 | 75.8 Ų | 75.8 | 25% | 0.247 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | 160.5 | -178.8 | 30.2 | -34.9 | 0 | 0 | 0 | 112.2 | C73 V77 Y95 F115 | C73-P75 WeakPolarHBondContact O-CD 3.36Å; P75-V77 PolarHBondContact O-N 3.5Å; P75-V77 VanDerWaalsContact O-N 3.15Å; P75-Y95 HydrophobicContact CG-CD2 3.81Å; P75-Y95 HydrophobicContact CG-CE1 4.29Å; P75-Y95 HydrophobicContact CG-CE2 3.59Å; P75-Y95 HydrophobicContact CG-CG 4.29Å; P75-F115 HydrophobicContact CG-CD1 3.6Å; P75-F115 HydrophobicContact CG-CE1 4.04Å; P75-F115 HydrophobicContact CG-CG 4.32Å |
| 76 | N | 85.9 | Confident | 90.5 | Very high | 118 Ų | 118 | 77.5 Ų | 77.5 | 63% | 0.631 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 22.5 | 177.1 | -59.2 | -39.8 | 0 | 0 | 0 | 114.4 | F115 | N76-F115 PolarHBondContact ND2-O 3.46Š|
| 77 | V | 84.9 | Confident | 90.3 | Very high | 26 Ų | 26 | 77.7 Ų | 77.7 | 16% | 0.158 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -115.5 | 120.9 | 170.2 | 180 | 0 | 0 | 0 | 0 | 108 | I74 P75 A79 T81 L83 A117 I119 | I74-V77 HydrophobicContact CG2-CB 4.44Å; I74-V77 HydrophobicContact CG2-CG2 3.66Å; P75-V77 PolarHBondContact O-N 3.5Å; P75-V77 VanDerWaalsContact O-N 3.15Å; V77-A79 PolarHBondContact O-N 3.04Å; V77-T81 HydrophobicContact CG1-CG2 3.98Å; V77-L83 HydrophobicContact CG1-CD1 4.09Å; V77-L83 HydrophobicContact CG1-CD2 4.23Å; V77-L83 HydrophobicContact CG1-CG 4.15Å; V77-L83 HydrophobicContact CG2-CD1 4.44Å; V77-A117 HydrophobicContact CG2-CB 3.6Å; V77-I119 HydrophobicContact CG2-CD1 4.04Å; V77-I119 HydrophobicContact CG2-CG1 4.44Å |
| 78 | P | 83.1 | Confident | 90.2 | Very high | 76 Ų | 76 | 76.1 Ų | 76.1 | 49% | 0.494 | 41% | 0.414 | S | S | . | . | trans | -56.4 | 139.2 | 174.5 | -25.1 | 34.5 | 0 | 0 | 0 | 111.4 | D80 T81 | P78-D80 WeakPolarHBondContact CB-OD1 3.06Å; P78-D80 PolarHBondContact O-N 2.78Å; P78-D80 VanDerWaalsContact O-N 3.09Å; P78-T81 VanDerWaalsContact O-CB 3.22Å; P78-T81 WeakPolarHBondContact O-CB 3.22Å; P78-T81 PolarHBondContact O-N 2.98Å; P78-T81 PolarHBondContact O-OG1 2.93Å | ||
| 79 | A | 74.3 | Confident | 90.3 | Very high | 115 Ų | 115 | 78 Ų | 78 | 95% | 0.95 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -23.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | V77 | V77-A79 PolarHBondContact O-N 3.04Š|
| 80 | D | 78.4 | Confident | 90.3 | Very high | 133 Ų | 133 | 80 Ų | 80 | 71% | 0.711 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -10.3 | 175.7 | 63.7 | -35.6 | 0 | 0 | 0 | 113.5 | P78 K82 | P78-D80 WeakPolarHBondContact CB-OD1 3.06Å; P78-D80 PolarHBondContact O-N 2.78Å; P78-D80 VanDerWaalsContact O-N 3.09Å; D80-K82 PolarHBondContact O-N 3.28Å |
| 81 | T | 85 | Confident | 90.3 | Very high | 47 Ų | 47 | 78 Ų | 78 | 29% | 0.288 | 41% | 0.41 | S | S | . | . | trans | -75 | 113.3 | -179.9 | -62.1 | 0 | 0 | 0 | 0 | 111.3 | V77 P78 L83 | V77-T81 HydrophobicContact CG1-CG2 3.98Å; P78-T81 VanDerWaalsContact O-CB 3.22Å; P78-T81 WeakPolarHBondContact O-CB 3.22Å; P78-T81 PolarHBondContact O-N 2.98Å; P78-T81 PolarHBondContact O-OG1 2.93Å; T81-L83 HydrophobicContact CG2-CD2 4.27Å; T81-L83 PolarHBondContact O-N 2.87Å | ||
| 82 | K | 85.4 | Confident | 90.3 | Very high | 195 Ų | 195 | 75.3 Ų | 75.3 | 85% | 0.848 | 40% | 0.402 | S | S | * | . | trans | -79.8 | 89.6 | 178.2 | -65.3 | -171.4 | -178.8 | 176.8 | 0 | 111.9 | D80 S84 | D80-K82 PolarHBondContact O-N 3.28Å; K82-S84 PolarHBondContact O-N 3.06Å | ||
| 83 | L | 89.3 | Confident | 90.5 | Very high | 9 Ų | 9 | 72.1 Ų | 72.1 | 5% | 0.047 | 39% | 0.394 | C | S | . | . | trans | -66 | 131.4 | 170.8 | -61 | 177 | 0 | 0 | 0 | 111.7 | R71 I74 V77 T81 T88 L91 I119 | R71-L83 HydrophobicContact CG-CB 4.3Å; R71-L83 HydrophobicContact CG-CD1 4.25Å; R71-L83 PolarHBondContact NE-O 3.45Å; R71-L83 PolarHBondContact NH2-O 3.19Å; I74-L83 HydrophobicContact CD1-CD1 3.63Å; V77-L83 HydrophobicContact CG1-CD1 4.09Å; V77-L83 HydrophobicContact CG1-CD2 4.23Å; V77-L83 HydrophobicContact CG1-CG 4.15Å; V77-L83 HydrophobicContact CG2-CD1 4.44Å; T81-L83 HydrophobicContact CG2-CD2 4.27Å; T81-L83 PolarHBondContact O-N 2.87Å; L83-T88 WeakPolarHBondContact CB-OG1 3.3Å; L83-L91 HydrophobicContact CD1-CD1 3.91Å; L83-L91 HydrophobicContact CD2-CD1 4.02Å; L83-I119 HydrophobicContact CD2-CD1 3.37Å | ||
| 84 | S | 94.4 | Very high | 90.5 | Very high | 45 Ų | 45 | 71.4 Ų | 71.4 | 32% | 0.315 | 39% | 0.39 | S | S | . | . | trans | -63.2 | 159.1 | 169.1 | 73.8 | 0 | 0 | 0 | 0 | 111 | K82 I86 K87 T88 | K82-S84 PolarHBondContact O-N 3.06Å; S84-I86 VanDerWaalsContact C-N 3.3Å; S84-I86 PolarHBondContact O-N 2.94Å; S84-I86 WeakPolarHBondContact OG-CG2 3.37Å; S84-K87 PolarHBondContact O-N 3.5Å; S84-K87 WeakPolarHBondContact OG-CB 3.5Å; S84-K87 WeakPolarHBondContact OG-CG 3.42Å; S84-K87 PolarHBondContact OG-N 3Å; S84-T88 WeakPolarHBondContact O-CB 3.45Å; S84-T88 PolarHBondContact O-N 3.4Å; S84-T88 PolarHBondContact O-OG1 3.2Å | ||
| 85 | K | 94.1 | Very high | 90.6 | Very high | 106 Ų | 106 | 74.1 Ų | 74.1 | 46% | 0.461 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -55.6 | -45.6 | -179.8 | -68.4 | -176.1 | 177.4 | -177.5 | 0 | 111.7 | F67 T88 L89 | F67-K85 HydrophobicContact CD1-CG 4.23Å; F67-K85 HydrophobicContact CE1-CB 3.78Å; F67-K85 HydrophobicContact CE1-CG 3.89Å; F67-K85 HydrophobicContact CE2-CD 4.3Å; F67-K85 HydrophobicContact CE2-CG 4.37Å; F67-K85 HydrophobicContact CZ-CB 3.9Å; F67-K85 HydrophobicContact CZ-CD 4.25Å; F67-K85 HydrophobicContact CZ-CG 3.97Å; K85-T88 PolarHBondContact O-N 3.23Å; K85-L89 VanDerWaalsContact O-CG 3.32Å; K85-L89 WeakPolarHBondContact O-CG 3.31Å; K85-L89 PolarHBondContact O-N 3.32Å |
| 86 | I | 95.8 | Very high | 90.8 | Very high | 92 Ų | 92 | 77.1 Ų | 77.1 | 47% | 0.472 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.9 | -39.8 | 179.2 | -172.5 | 59.2 | 0 | 0 | 0 | 112.4 | S84 R90 | S84-I86 VanDerWaalsContact C-N 3.3Å; S84-I86 PolarHBondContact O-N 2.94Å; S84-I86 WeakPolarHBondContact OG-CG2 3.37Å; I86-R90 HydrophobicContact CD1-CG 4.45Å; I86-R90 WeakPolarHBondContact O-CB 3.41Å; I86-R90 VanDerWaalsContact O-CG 3.31Å; I86-R90 WeakPolarHBondContact O-CG 3.33Å; I86-R90 PolarHBondContact O-N 3.41Å |
| 87 | K | 93.4 | Very high | 91.2 | Very high | 56 Ų | 56 | 73.7 Ų | 73.7 | 24% | 0.243 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66 | -43.8 | 176.8 | -79.8 | -78.5 | -170 | 166.8 | 0 | 111.3 | S84 L89 R90 L91 E118 | S84-K87 PolarHBondContact O-N 3.5Å; S84-K87 WeakPolarHBondContact OG-CB 3.5Å; S84-K87 WeakPolarHBondContact OG-CG 3.42Å; S84-K87 PolarHBondContact OG-N 3Å; K87-L89 PolarHBondContact O-N 3.1Å; K87-R90 PolarHBondContact O-N 3.31Å; K87-L91 WeakPolarHBondContact O-CB 3.48Å; K87-L91 WeakPolarHBondContact O-CG 3.34Å; K87-L91 PolarHBondContact O-N 3.27Å; K87-E118 PolarHBondContact NZ-O 3.38Å |
| 88 | T | 95.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -57.3 | -49.9 | 176.9 | -50.1 | 0 | 0 | 0 | 0 | 110.5 | F67 L70 R71 I74 L83 S84 K85 R90 L91 A92 | F67-T88 HydrophobicContact CD1-CG2 4.12Å; F67-T88 HydrophobicContact CE1-CG2 4.42Å; L70-T88 HydrophobicContact CB-CG2 4.3Å; L70-T88 HydrophobicContact CD2-CG2 3.79Å; L70-T88 HydrophobicContact CG-CG2 3.83Å; R71-T88 HydrophobicContact CG-CG2 3.74Å; R71-T88 PolarHBondContact NE-OG1 3.46Å; I74-T88 HydrophobicContact CD1-CG2 3.91Å; L83-T88 WeakPolarHBondContact CB-OG1 3.3Å; S84-T88 WeakPolarHBondContact O-CB 3.45Å; S84-T88 PolarHBondContact O-N 3.4Å; S84-T88 PolarHBondContact O-OG1 3.2Å; K85-T88 PolarHBondContact O-N 3.23Å; T88-R90 PolarHBondContact O-N 2.94Å; T88-L91 PolarHBondContact O-N 3.49Å; T88-A92 VanDerWaalsContact O-CB 3.3Å; T88-A92 WeakPolarHBondContact O-CB 3.41Å; T88-A92 PolarHBondContact O-N 2.87Å |
| 89 | L | 97.1 | Very high | 92.1 | Very high | 82 Ų | 82 | 74.5 Ų | 74.5 | 43% | 0.429 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 179.1 | -67.9 | 174.5 | 0 | 0 | 0 | 112.1 | F67 L70 K85 K87 A92 T93 | F67-L89 HydrophobicContact CE1-CD2 4.25Å; F67-L89 HydrophobicContact CE1-CG 4.13Å; F67-L89 HydrophobicContact CZ-CD1 4.31Å; F67-L89 HydrophobicContact CZ-CD2 4.17Å; F67-L89 HydrophobicContact CZ-CG 4.17Å; L70-L89 HydrophobicContact CD2-CD2 4.39Å; K85-L89 VanDerWaalsContact O-CG 3.32Å; K85-L89 WeakPolarHBondContact O-CG 3.31Å; K85-L89 PolarHBondContact O-N 3.32Å; K87-L89 PolarHBondContact O-N 3.1Å; L89-A92 PolarHBondContact O-N 3.38Å; L89-T93 PolarHBondContact O-N 3.05Å; L89-T93 PolarHBondContact O-OG1 3.36Å; L89-T93 VanDerWaalsContact O-OG1 3.08Å |
| 90 | R | 95.2 | Very high | 93 | Very high | 162 Ų | 162 | 75 Ų | 75 | 61% | 0.611 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -61.1 | -47.9 | 179.1 | -74.2 | 176 | 177 | -176.8 | -1 | 112.2 | I86 K87 T88 T93 S94 | I86-R90 HydrophobicContact CD1-CG 4.45Å; I86-R90 WeakPolarHBondContact O-CB 3.41Å; I86-R90 VanDerWaalsContact O-CG 3.31Å; I86-R90 WeakPolarHBondContact O-CG 3.33Å; I86-R90 PolarHBondContact O-N 3.41Å; K87-R90 PolarHBondContact O-N 3.31Å; T88-R90 PolarHBondContact O-N 2.94Å; R90-T93 PolarHBondContact O-N 2.87Å; R90-S94 PolarHBondContact O-N 3.35Å; R90-S94 PolarHBondContact O-OG 3.04Å |
| 91 | L | 95.3 | Very high | 93.6 | Very high | 15 Ų | 15 | 72.9 Ų | 72.9 | 8% | 0.079 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.9 | -41.3 | -180 | -71.9 | 172.7 | 0 | 0 | 0 | 111.7 | I74 L83 K87 T88 S94 Y95 F115 A117 I119 | I74-L91 HydrophobicContact CD1-CB 3.89Å; I74-L91 HydrophobicContact CG1-CB 4.43Å; I74-L91 HydrophobicContact CG2-CB 4.05Å; I74-L91 HydrophobicContact CG2-CD1 4.22Å; L83-L91 HydrophobicContact CD1-CD1 3.91Å; L83-L91 HydrophobicContact CD2-CD1 4.02Å; K87-L91 WeakPolarHBondContact O-CB 3.48Å; K87-L91 WeakPolarHBondContact O-CG 3.34Å; K87-L91 PolarHBondContact O-N 3.27Å; T88-L91 PolarHBondContact O-N 3.49Å; L91-S94 PolarHBondContact O-N 2.97Å; L91-Y95 WeakPolarHBondContact O-CB 3.44Å; L91-Y95 PolarHBondContact O-N 3.05Å; L91-F115 HydrophobicContact CD2-CZ 4.43Å; L91-A117 HydrophobicContact CD2-CB 4.15Å; L91-I119 HydrophobicContact CD1-CD1 3.8Å |
| 92 | A | 96.7 | Very high | 93.7 | Very high | 13 Ų | 13 | 72.7 Ų | 72.7 | 11% | 0.107 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | L70 T88 L89 S94 Y95 I96 | L70-A92 HydrophobicContact CD1-CB 3.87Å; L70-A92 HydrophobicContact CD2-CB 4.32Å; L70-A92 HydrophobicContact CG-CB 4.3Å; T88-A92 VanDerWaalsContact O-CB 3.3Å; T88-A92 WeakPolarHBondContact O-CB 3.41Å; T88-A92 PolarHBondContact O-N 2.87Å; L89-A92 PolarHBondContact O-N 3.38Å; A92-S94 PolarHBondContact O-N 3.45Å; A92-Y95 PolarHBondContact O-N 3.34Å; A92-I96 WeakPolarHBondContact O-CG1 3.32Å; A92-I96 PolarHBondContact O-N 3.32Å |
| 93 | T | 96.6 | Very high | 93.9 | Very high | 97 Ų | 97 | 69.6 Ų | 69.6 | 60% | 0.595 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60.3 | -45.8 | 175.6 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | L89 R90 Y95 I96 A97 | L89-T93 PolarHBondContact O-N 3.05Å; L89-T93 PolarHBondContact O-OG1 3.36Å; L89-T93 VanDerWaalsContact O-OG1 3.08Å; R90-T93 PolarHBondContact O-N 2.87Å; T93-Y95 VanDerWaalsContact C-N 3.28Å; T93-Y95 PolarHBondContact O-N 3.48Å; T93-I96 PolarHBondContact O-N 3.32Å; T93-A97 PolarHBondContact O-N 3.49Å |
| 94 | S | 95.2 | Very high | 93.8 | Very high | 67 Ų | 67 | 72.6 Ų | 72.6 | 47% | 0.469 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.6 | -36.2 | 176.4 | -63.6 | 0 | 0 | 0 | 0 | 112.4 | R90 L91 A92 A97 Y98 | R90-S94 PolarHBondContact O-N 3.35Å; R90-S94 PolarHBondContact O-OG 3.04Å; L91-S94 PolarHBondContact O-N 2.97Å; A92-S94 PolarHBondContact O-N 3.45Å; S94-A97 PolarHBondContact O-N 3.39Å; S94-Y98 WeakPolarHBondContact O-CB 2.83Å; S94-Y98 PolarHBondContact O-N 3.4Å |
| 95 | Y | 96 | Very high | 93.1 | Very high | 65 Ų | 65 | 75.5 Ų | 75.5 | 26% | 0.255 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -70.2 | -41.7 | 179.2 | -176 | -134 | 0 | 0 | 0 | 111.9 | C73 P75 L91 A92 T93 A97 Y98 L99 F115 | C73-Y95 WeakPolarHBondContact O-CE1 3.39Å; P75-Y95 HydrophobicContact CG-CD2 3.81Å; P75-Y95 HydrophobicContact CG-CE1 4.29Å; P75-Y95 HydrophobicContact CG-CE2 3.59Å; P75-Y95 HydrophobicContact CG-CG 4.29Å; L91-Y95 WeakPolarHBondContact O-CB 3.44Å; L91-Y95 PolarHBondContact O-N 3.05Å; A92-Y95 PolarHBondContact O-N 3.34Å; T93-Y95 VanDerWaalsContact C-N 3.28Å; T93-Y95 PolarHBondContact O-N 3.48Å; Y95-A97 VanDerWaalsContact C-N 3.34Å; Y95-A97 PolarHBondContact O-N 2.76Å; Y95-Y98 HydrophobicContact CD2-CD1 4.02Å; Y95-Y98 HydrophobicContact CE2-CD1 4.02Å; Y95-Y98 HydrophobicContact CE2-CE1 4.47Å; Y95-Y98 WeakPolarHBondContact O-CB 3.4Å; Y95-Y98 PolarHBondContact O-N 2.95Å; Y95-L99 HydrophobicContact CD1-CD1 4.24Å; Y95-L99 HydrophobicContact CD2-CD1 4.49Å; Y95-L99 HydrophobicContact CD2-CG 4.19Å; Y95-L99 HydrophobicContact CE1-CD1 3.82Å; Y95-L99 HydrophobicContact CE1-CG 4.46Å; Y95-L99 HydrophobicContact CE2-CD1 4.07Å; Y95-L99 HydrophobicContact CE2-CD2 3.78Å; Y95-L99 HydrophobicContact CE2-CG 3.81Å; Y95-L99 WeakPolarHBondContact O-CG 3.31Å; Y95-L99 PolarHBondContact O-N 3.34Å; Y95-F115 HydrophobicContact CD2-CB 4.48Å; Y95-F115 HydrophobicContact CD2-CD1 4.35Å; Y95-F115 HydrophobicContact CD2-CD2 4.05Å; Y95-F115 HydrophobicContact CD2-CE2 4.36Å; Y95-F115 HydrophobicContact CD2-CG 4.04Å |
| 96 | I | 96 | Very high | 91.6 | Very high | 100 Ų | 100 | 76.4 Ų | 76.4 | 51% | 0.513 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -57.4 | -49.1 | 172.2 | -66.9 | 165.6 | 0 | 0 | 0 | 110.2 | A92 T93 Y98 L99 M100 | A92-I96 WeakPolarHBondContact O-CG1 3.32Å; A92-I96 PolarHBondContact O-N 3.32Å; T93-I96 PolarHBondContact O-N 3.32Å; I96-Y98 VanDerWaalsContact C-N 3.31Å; I96-Y98 PolarHBondContact O-N 2.87Å; I96-L99 PolarHBondContact O-N 3.17Å; I96-M100 HydrophobicContact CG2-CG 4.37Å; I96-M100 HydrophobicContact CG2-SD 3.94Å; I96-M100 VanDerWaalsContact O-CG 3.3Å; I96-M100 WeakPolarHBondContact O-CG 3.38Å; I96-M100 PolarHBondContact O-N 3.36Å |
| 97 | A | 94 | Very high | 89.9 | Confident | 47 Ų | 47 | 79.3 Ų | 79.3 | 39% | 0.388 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.2 | -42.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T93 S94 Y95 M100 D101 | T93-A97 PolarHBondContact O-N 3.49Å; S94-A97 PolarHBondContact O-N 3.39Å; Y95-A97 VanDerWaalsContact C-N 3.34Å; Y95-A97 PolarHBondContact O-N 2.76Å; A97-M100 PolarHBondContact O-N 3.07Å; A97-D101 PolarHBondContact O-N 3.46Å |
| 98 | Y | 93.2 | Very high | 88.1 | Confident | 53 Ų | 53 | 84.4 Ų | 84.4 | 21% | 0.208 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 175.1 | 169.3 | -104.7 | 0 | 0 | 0 | 112.8 | S94 Y95 I96 M100 D101 L102 E113 F115 | S94-Y98 WeakPolarHBondContact O-CB 2.83Å; S94-Y98 PolarHBondContact O-N 3.4Å; Y95-Y98 HydrophobicContact CD2-CD1 4.02Å; Y95-Y98 HydrophobicContact CE2-CD1 4.02Å; Y95-Y98 HydrophobicContact CE2-CE1 4.47Å; Y95-Y98 WeakPolarHBondContact O-CB 3.4Å; Y95-Y98 PolarHBondContact O-N 2.95Å; I96-Y98 VanDerWaalsContact C-N 3.31Å; I96-Y98 PolarHBondContact O-N 2.87Å; Y98-M100 VanDerWaalsContact C-N 3.32Å; Y98-M100 PolarHBondContact O-N 3.13Å; Y98-D101 PolarHBondContact O-N 3.39Å; Y98-L102 HydrophobicContact CD1-CD1 3.85Å; Y98-L102 HydrophobicContact CE1-CD1 3.23Å; Y98-L102 HydrophobicContact CE1-CG 4.11Å; Y98-L102 HydrophobicContact CE2-CD1 4.03Å; Y98-L102 HydrophobicContact CE2-CD2 4.49Å; Y98-L102 HydrophobicContact CE2-CG 4.02Å; Y98-L102 PolarHBondContact O-N 3.07Å; Y98-E113 WeakPolarHBondContact CE2-O 3.36Å; Y98-F115 HydrophobicContact CD1-CB 3.8Å; Y98-F115 HydrophobicContact CD1-CD2 4.36Å; Y98-F115 HydrophobicContact CD1-CG 4.46Å; Y98-F115 HydrophobicContact CD2-CB 4.46Å; Y98-F115 HydrophobicContact CE1-CB 3.82Å; Y98-F115 HydrophobicContact CG-CB 4.1Å; Y98-F115 HydrophobicContact CG-CD2 4.16Å |
| 99 | L | 93.3 | Very high | 86 | Confident | 66 Ų | 66 | 93 Ų | 93 | 35% | 0.346 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.3 | -37.8 | 177.1 | -67 | 177 | 0 | 0 | 0 | 111.8 | Y95 I96 L102 L103 | Y95-L99 HydrophobicContact CD1-CD1 4.24Å; Y95-L99 HydrophobicContact CD2-CD1 4.49Å; Y95-L99 HydrophobicContact CD2-CG 4.19Å; Y95-L99 HydrophobicContact CE1-CD1 3.82Å; Y95-L99 HydrophobicContact CE1-CG 4.46Å; Y95-L99 HydrophobicContact CE2-CD1 4.07Å; Y95-L99 HydrophobicContact CE2-CD2 3.78Å; Y95-L99 HydrophobicContact CE2-CG 3.81Å; Y95-L99 WeakPolarHBondContact O-CG 3.31Å; Y95-L99 PolarHBondContact O-N 3.34Å; I96-L99 PolarHBondContact O-N 3.17Å; L99-L102 HydrophobicContact CD2-CD1 4.23Å; L99-L102 PolarHBondContact O-N 3.02Å; L99-L103 VanDerWaalsContact O-CG 3.3Å; L99-L103 WeakPolarHBondContact O-CG 3.41Å; L99-L103 PolarHBondContact O-N 3.5Å; L99-L103 VanDerWaalsContact O-N 3.07Å |
| 100 | M | 93.9 | Very high | 83.8 | Confident | 126 Ų | 126 | 91.7 Ų | 91.7 | 62% | 0.621 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.3 | -43 | 175 | -67.6 | 178.2 | 78.5 | 0 | 0 | 111.7 | I96 A97 Y98 L103 A104 | I96-M100 HydrophobicContact CG2-CG 4.37Å; I96-M100 HydrophobicContact CG2-SD 3.94Å; I96-M100 VanDerWaalsContact O-CG 3.3Å; I96-M100 WeakPolarHBondContact O-CG 3.38Å; I96-M100 PolarHBondContact O-N 3.36Å; A97-M100 PolarHBondContact O-N 3.07Å; Y98-M100 VanDerWaalsContact C-N 3.32Å; Y98-M100 PolarHBondContact O-N 3.13Å; M100-L103 PolarHBondContact O-N 3.01Å; M100-A104 WeakPolarHBondContact O-CB 3.37Å; M100-A104 PolarHBondContact O-N 3.43Å; M100-A104 VanDerWaalsContact O-N 3.08Å |
| 101 | D | 89.6 | Confident | 82 | Confident | 87 Ų | 87 | 93.4 Ų | 93.4 | 47% | 0.465 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 176.6 | -77.4 | -3 | 0 | 0 | 0 | 112.3 | A97 Y98 A104 K105 | A97-D101 PolarHBondContact O-N 3.46Å; Y98-D101 PolarHBondContact O-N 3.39Å; D101-A104 PolarHBondContact O-N 3.13Å; D101-K105 WeakPolarHBondContact O-CB 3.49Å; D101-K105 WeakPolarHBondContact O-CD 3.44Å; D101-K105 WeakPolarHBondContact O-CG 3.1Å; D101-K105 PolarHBondContact O-N 2.82Å |
| 102 | L | 88.8 | Confident | 80.3 | Confident | 43 Ų | 43 | 94.3 Ų | 94.3 | 23% | 0.225 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -58.9 | -53.6 | 174.4 | -87.4 | 173.6 | 0 | 0 | 0 | 111.1 | Y98 L99 A104 K105 D106 A112 | Y98-L102 HydrophobicContact CD1-CD1 3.85Å; Y98-L102 HydrophobicContact CE1-CD1 3.23Å; Y98-L102 HydrophobicContact CE1-CG 4.11Å; Y98-L102 HydrophobicContact CE2-CD1 4.03Å; Y98-L102 HydrophobicContact CE2-CD2 4.49Å; Y98-L102 HydrophobicContact CE2-CG 4.02Å; Y98-L102 PolarHBondContact O-N 3.07Å; L99-L102 HydrophobicContact CD2-CD1 4.23Å; L99-L102 PolarHBondContact O-N 3.02Å; L102-A104 PolarHBondContact O-N 3.33Å; L102-K105 PolarHBondContact O-N 2.84Å; L102-D106 PolarHBondContact O-N 3.31Å; L102-A112 HydrophobicContact CD2-CB 3.28Å; L102-A112 HydrophobicContact CG-CB 4.27Å |
| 103 | L | 89.4 | Confident | 78.9 | Confident | 131 Ų | 131 | 100.9 Ų | 100.9 | 69% | 0.686 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.9 | -29.5 | -179.7 | -69.1 | 172 | 0 | 0 | 0 | 112.6 | L99 M100 | L99-L103 VanDerWaalsContact O-CG 3.3Å; L99-L103 WeakPolarHBondContact O-CG 3.41Å; L99-L103 PolarHBondContact O-N 3.5Å; L99-L103 VanDerWaalsContact O-N 3.07Å; M100-L103 PolarHBondContact O-N 3.01Å |
| 104 | A | 87.4 | Confident | 77.9 | Confident | 72 Ų | 72 | 99.4 Ų | 99.4 | 60% | 0.595 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -78.6 | -22.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | M100 D101 L102 | M100-A104 WeakPolarHBondContact O-CB 3.37Å; M100-A104 PolarHBondContact O-N 3.43Å; M100-A104 VanDerWaalsContact O-N 3.08Å; D101-A104 PolarHBondContact O-N 3.13Å; L102-A104 PolarHBondContact O-N 3.33Å |
| 105 | K | 78.4 | Confident | 77.4 | Confident | 106 Ų | 106 | 97.1 Ų | 97.1 | 46% | 0.461 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -93.7 | -14.8 | -179.4 | -75.9 | 168.5 | -178.6 | 151.7 | 0 | 113.6 | D101 L102 D107 Q108 | D101-K105 WeakPolarHBondContact O-CB 3.49Å; D101-K105 WeakPolarHBondContact O-CD 3.44Å; D101-K105 WeakPolarHBondContact O-CG 3.1Å; D101-K105 PolarHBondContact O-N 2.82Å; L102-K105 PolarHBondContact O-N 2.84Å; K105-D107 PolarHBondContact O-N 3.28Å; K105-Q108 CarbonylContact O-C 3.37Å; K105-Q108 PolarHBondContact O-N 3.26Å; K105-Q108 VanDerWaalsContact O-O 3.13Å |
| 106 | D | 62.8 | Low | 76.6 | Confident | 124 Ų | 124 | 102 Ų | 102 | 66% | 0.663 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -6.8 | 176.9 | -76.2 | -24.2 | 0 | 0 | 0 | 113.8 | L102 | L102-D106 PolarHBondContact O-N 3.31Š|
| 107 | D | 59.6 | Low | 75.9 | Confident | 153 Ų | 153 | 98 Ų | 98 | 82% | 0.818 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -17.4 | 166.6 | -71.7 | -29.9 | 0 | 0 | 0 | 113.7 | K105 | K105-D107 PolarHBondContact O-N 3.28Š|
| 108 | Q | 57.1 | Low | 75 | Confident | 164 Ų | 164 | 101.6 Ų | 101.6 | 77% | 0.766 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -138.4 | 96 | 179.8 | -63.2 | -134.6 | 25.7 | 0 | 0 | 112.1 | K105 G110 | K105-Q108 CarbonylContact O-C 3.37Å; K105-Q108 PolarHBondContact O-N 3.26Å; K105-Q108 VanDerWaalsContact O-O 3.13Å; Q108-G110 PolarHBondContact O-N 3.22Å |
| 109 | N | 50.5 | Low | 74.2 | Confident | 179 Ų | 179 | 101.8 Ų | 101.8 | 96% | 0.957 | 55% | 0.545 | S | S | * | . | trans | -28 | 94.7 | 168.8 | -163.9 | 67.4 | 0 | 0 | 0 | 114.5 | ||||
| 110 | G | 51.8 | Low | 72.9 | Confident | 56 Ų | 56 | 104.3 Ų | 104.3 | 58% | 0.577 | 55% | 0.553 | S | S | * | * | trans | -164.2 | 121.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | Q108 A112 | Q108-G110 PolarHBondContact O-N 3.22Å; G110-A112 PolarHBondContact O-N 2.95Å | ||
| 111 | E | 56.4 | Low | 71.1 | Confident | 197 Ų | 197 | 107 Ų | 107 | 92% | 0.921 | 56% | 0.562 | S | S | * | * | trans | -46.3 | 98.2 | -178 | -60 | 179.2 | 168.6 | 0 | 0 | 112.3 | E113 | E111-E113 PolarHBondContact O-N 3.11Š| ||
| 112 | A | 60.2 | Low | 69.3 | Low | 35 Ų | 35 | 106.8 Ų | 106.8 | 29% | 0.289 | 56% | 0.563 | S | S | . | * | trans | -72.3 | 112 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | L102 G110 A114 | L102-A112 HydrophobicContact CD2-CB 3.28Å; L102-A112 HydrophobicContact CG-CB 4.27Å; G110-A112 PolarHBondContact O-N 2.95Å; A112-A114 PolarHBondContact O-N 3.2Å; A112-A114 VanDerWaalsContact O-N 3.15Å | ||
| 113 | E | 66.1 | Low | 67.8 | Low | 151 Ų | 151 | 109.1 Ų | 109.1 | 71% | 0.706 | 58% | 0.576 | S | S | * | * | trans | -37.6 | 119.4 | 172.5 | -76.8 | -71.4 | 140.8 | 0 | 0 | 111.3 | Y98 E111 F115 | Y98-E113 WeakPolarHBondContact CE2-O 3.36Å; E111-E113 PolarHBondContact O-N 3.11Å; E113-F115 PolarHBondContact O-N 3.27Å | ||
| 114 | A | 75.5 | Confident | 66.1 | Low | 65 Ų | 65 | 108.6 Ų | 108.6 | 54% | 0.537 | 58% | 0.578 | S | S | . | * | trans | -56.6 | 138.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A112 K116 | A112-A114 PolarHBondContact O-N 3.2Å; A112-A114 VanDerWaalsContact O-N 3.15Å; A114-K116 PolarHBondContact O-N 3.5Å; A114-K116 VanDerWaalsContact O-N 3.12Å | ||
| 115 | F | 85.1 | Confident | 64.5 | Low | 20 Ų | 20 | 112.3 Ų | 112.3 | 9% | 0.088 | 58% | 0.581 | C | S | . | * | trans | -55.8 | 117.5 | 179.7 | 178.5 | -91.6 | 0 | 0 | 0 | 111.9 | P75 N76 L91 Y95 Y98 E113 A117 | P75-F115 HydrophobicContact CG-CD1 3.6Å; P75-F115 HydrophobicContact CG-CE1 4.04Å; P75-F115 HydrophobicContact CG-CG 4.32Å; N76-F115 PolarHBondContact ND2-O 3.46Å; L91-F115 HydrophobicContact CD2-CZ 4.43Å; Y95-F115 HydrophobicContact CD2-CB 4.48Å; Y95-F115 HydrophobicContact CD2-CD1 4.35Å; Y95-F115 HydrophobicContact CD2-CD2 4.05Å; Y95-F115 HydrophobicContact CD2-CE2 4.36Å; Y95-F115 HydrophobicContact CD2-CG 4.04Å; Y98-F115 HydrophobicContact CD1-CB 3.8Å; Y98-F115 HydrophobicContact CD1-CD2 4.36Å; Y98-F115 HydrophobicContact CD1-CG 4.46Å; Y98-F115 HydrophobicContact CD2-CB 4.46Å; Y98-F115 HydrophobicContact CE1-CB 3.82Å; Y98-F115 HydrophobicContact CG-CB 4.1Å; Y98-F115 HydrophobicContact CG-CD2 4.16Å; E113-F115 PolarHBondContact O-N 3.27Å; F115-A117 HydrophobicContact CE1-CB 3.98Å | ||
| 116 | K | 78.8 | Confident | 63.6 | Low | 166 Ų | 166 | 110.7 Ų | 110.7 | 72% | 0.722 | 58% | 0.575 | S | S | * | * | trans | -101.7 | 109.5 | 175.3 | -68.2 | 179.6 | -173.2 | 166.3 | 0 | 110.4 | A114 E118 | A114-K116 PolarHBondContact O-N 3.5Å; A114-K116 VanDerWaalsContact O-N 3.12Å; K116-E118 PolarHBondContact O-N 3.42Å | ||
| 117 | A | 81.6 | Confident | 63.5 | Low | 17 Ų | 17 | 109.4 Ų | 109.4 | 14% | 0.14 | 57% | 0.565 | C | S | . | * | trans | -69.7 | 98.6 | 171 | 0 | 0 | 0 | 0 | 0 | 109.8 | V77 L91 F115 I119 | V77-A117 HydrophobicContact CG2-CB 3.6Å; L91-A117 HydrophobicContact CD2-CB 4.15Å; F115-A117 HydrophobicContact CE1-CB 3.98Å; A117-I119 VanDerWaalsContact C-N 3.34Å; A117-I119 PolarHBondContact O-N 2.89Å | ||
| 118 | E | 76.3 | Confident | 63.7 | Low | 123 Ų | 123 | 108.1 Ų | 108.1 | 58% | 0.575 | 55% | 0.552 | S | S | * | * | trans | -75.7 | 85.2 | -179 | -155.9 | -174.9 | -163.9 | 0 | 0 | 111.7 | K87 K116 K120 | K87-E118 PolarHBondContact NZ-O 3.38Å; K116-E118 PolarHBondContact O-N 3.42Å; E118-K120 VanDerWaalsContact C-N 3.28Å; E118-K120 HydrophobicContact CG-CG 4.11Å; E118-K120 PolarHBondContact O-N 3.39Å; E118-K120 WeakPolarHBondContact OE1-CE 3.45Å; E118-K120 IonicContact OE1-NZ 2.83Å; E118-K120 PolarHBondContact OE1-NZ 3.46Å; E118-K120 WeakPolarHBondContact OE2-CE 3.2Å; E118-K120 IonicContact OE2-NZ 3.4Å; E118-K120 PolarHBondContact OE2-NZ 2.84Å | ||
| 119 | I | 75.1 | Confident | 64.3 | Low | 56 Ų | 56 | 106.7 Ų | 106.7 | 29% | 0.287 | 54% | 0.54 | S | S | . | . | trans | -81.3 | 72.6 | 171.6 | -46.4 | -66.2 | 0 | 0 | 0 | 108.9 | V77 L83 L91 A117 K121 | V77-I119 HydrophobicContact CG2-CD1 4.04Å; V77-I119 HydrophobicContact CG2-CG1 4.44Å; L83-I119 HydrophobicContact CD2-CD1 3.37Å; L91-I119 HydrophobicContact CD1-CD1 3.8Å; A117-I119 VanDerWaalsContact C-N 3.34Å; A117-I119 PolarHBondContact O-N 2.89Å; I119-K121 PolarHBondContact O-N 2.9Å | ||
| 120 | K | 66.7 | Low | 65.4 | Low | 120 Ų | 120 | 103.5 Ų | 103.5 | 52% | 0.522 | 52% | 0.517 | S | S | . | . | trans | -58.3 | 113 | 166.4 | -65.6 | -173.7 | -175.5 | 172.6 | 0 | 108 | E118 T122 | E118-K120 VanDerWaalsContact C-N 3.28Å; E118-K120 HydrophobicContact CG-CG 4.11Å; E118-K120 PolarHBondContact O-N 3.39Å; E118-K120 WeakPolarHBondContact OE1-CE 3.45Å; E118-K120 IonicContact OE1-NZ 2.83Å; E118-K120 PolarHBondContact OE1-NZ 3.46Å; E118-K120 WeakPolarHBondContact OE2-CE 3.2Å; E118-K120 IonicContact OE2-NZ 3.4Å; E118-K120 PolarHBondContact OE2-NZ 2.84Å; K120-T122 PolarHBondContact O-N 3.28Å | ||
| 121 | K | 55.7 | Low | 66.5 | Low | 182 Ų | 182 | 107.2 Ų | 107.2 | 79% | 0.791 | 52% | 0.518 | S | S | * | . | trans | -63.7 | 75.9 | 175 | -63.8 | 178.3 | -179.2 | 179.2 | 0 | 109.8 | I119 | I119-K121 PolarHBondContact O-N 2.9Š| ||
| 122 | T | 53.1 | Low | 67.4 | Low | 82 Ų | 82 | 102.2 Ų | 102.2 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | trans | -84 | 7.6 | 166.3 | 52.1 | 0 | 0 | 0 | 0 | 111.6 | K120 V124 K125 E126 | K120-T122 PolarHBondContact O-N 3.28Å; T122-V124 PolarHBondContact O-N 3.04Å; T122-K125 PolarHBondContact O-N 3.31Å; T122-K125 VanDerWaalsContact O-N 3.11Å; T122-E126 PolarHBondContact O-N 2.86Å | ||
| 123 | D | 55.6 | Low | 68 | Low | 93 Ų | 93 | 106.3 Ų | 106.3 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -56.6 | -35.8 | -179.5 | -64.3 | -79.6 | 0 | 0 | 0 | 112.3 | K125 E126 E127 | D123-K125 VanDerWaalsContact C-N 3.29Å; D123-K125 PolarHBondContact O-N 3.43Å; D123-E126 PolarHBondContact O-N 3.27Å; D123-E127 WeakPolarHBondContact O-CB 3.36Å; D123-E127 PolarHBondContact O-N 3.12Å |
| 124 | V | 54.7 | Low | 68.5 | Low | 119 Ų | 119 | 102.8 Ų | 102.8 | 72% | 0.721 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.4 | -37.3 | 179.1 | -171.1 | 0 | 0 | 0 | 0 | 111.9 | T122 K128 | T122-V124 PolarHBondContact O-N 3.04Å; V124-K128 WeakPolarHBondContact O-CB 3.41Å; V124-K128 PolarHBondContact O-N 3.08Å |
| 125 | K | 54.2 | Low | 68.6 | Low | 151 Ų | 151 | 104.7 Ų | 104.7 | 66% | 0.657 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -81.6 | -29.1 | -178 | -168.2 | 167.2 | -179 | 171.1 | 0 | 112.4 | T122 D123 R129 | T122-K125 PolarHBondContact O-N 3.31Å; T122-K125 VanDerWaalsContact O-N 3.11Å; D123-K125 VanDerWaalsContact C-N 3.29Å; D123-K125 PolarHBondContact O-N 3.43Å; K125-R129 PolarHBondContact O-N 2.83Å; K125-R129 VanDerWaalsContact O-N 3.12Å |
| 126 | E | 59.2 | Low | 68.2 | Low | 72 Ų | 72 | 108.5 Ų | 108.5 | 34% | 0.336 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -78.3 | -40 | 175.1 | -167 | 174.5 | 157.8 | 0 | 0 | 111.6 | T122 D123 K128 R129 K130 | T122-E126 PolarHBondContact O-N 2.86Å; D123-E126 PolarHBondContact O-N 3.27Å; E126-K128 VanDerWaalsContact C-N 3.35Å; E126-R129 PolarHBondContact O-N 2.93Å; E126-K130 WeakPolarHBondContact O-CG 3.32Å; E126-K130 PolarHBondContact O-N 3.4Å; E126-K130 IonicContact OE1-NZ 2.82Å |
| 127 | E | 60.3 | Low | 67.8 | Low | 96 Ų | 96 | 105.8 Ų | 105.8 | 45% | 0.449 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 173.9 | -152.8 | 67.5 | -158.5 | 0 | 0 | 110.9 | D123 K130 K131 | D123-E127 WeakPolarHBondContact O-CB 3.36Å; D123-E127 PolarHBondContact O-N 3.12Å; E127-K130 PolarHBondContact O-N 3.29Å; E127-K131 WeakPolarHBondContact O-CB 3.46Å; E127-K131 WeakPolarHBondContact O-CG 3.32Å; E127-K131 PolarHBondContact O-N 2.95Å |
| 128 | K | 62.8 | Low | 67.3 | Low | 127 Ų | 127 | 109.6 Ų | 109.6 | 55% | 0.552 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.6 | -45.6 | 171.6 | -175.3 | 171.7 | 176.8 | 172.8 | 0 | 111.6 | V124 E126 K130 K131 E132 | V124-K128 WeakPolarHBondContact O-CB 3.41Å; V124-K128 PolarHBondContact O-N 3.08Å; E126-K128 VanDerWaalsContact C-N 3.35Å; K128-K130 VanDerWaalsContact C-N 3.34Å; K128-K130 PolarHBondContact O-N 2.83Å; K128-K131 PolarHBondContact O-N 3.38Å; K128-E132 WeakPolarHBondContact CE-OE1 3.32Å; K128-E132 HydrophobicContact CG-CG 4.43Å; K128-E132 WeakPolarHBondContact CG-OE1 3.37Å; K128-E132 WeakPolarHBondContact O-CB 3.31Å; K128-E132 WeakPolarHBondContact O-CG 3.2Å; K128-E132 PolarHBondContact O-N 3.24Å |
| 129 | R | 71.4 | Confident | 66.8 | Low | 134 Ų | 134 | 107 Ų | 107 | 51% | 0.506 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.6 | -38.1 | 174.1 | -94.9 | -173.6 | -77.5 | 127.2 | -3 | 113 | K125 E126 L133 | K125-R129 PolarHBondContact O-N 2.83Å; K125-R129 VanDerWaalsContact O-N 3.12Å; E126-R129 PolarHBondContact O-N 2.93Å; R129-L133 WeakPolarHBondContact O-CB 3.42Å; R129-L133 PolarHBondContact O-N 2.92Å |
| 130 | K | 72.9 | Confident | 66.1 | Low | 111 Ų | 111 | 108.5 Ų | 108.5 | 48% | 0.483 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.7 | -41.9 | 175.3 | -78.4 | 174.9 | -178.7 | 165 | 0 | 112 | E126 E127 K128 N134 | E126-K130 WeakPolarHBondContact O-CG 3.32Å; E126-K130 PolarHBondContact O-N 3.4Å; E126-K130 IonicContact OE1-NZ 2.82Å; E127-K130 PolarHBondContact O-N 3.29Å; K128-K130 VanDerWaalsContact C-N 3.34Å; K128-K130 PolarHBondContact O-N 2.83Å; K130-N134 VanDerWaalsContact O-CB 3.31Å; K130-N134 WeakPolarHBondContact O-CB 3.45Å; K130-N134 PolarHBondContact O-N 2.81Å |
| 131 | K | 74.3 | Confident | 65.7 | Low | 135 Ų | 135 | 106.9 Ų | 106.9 | 59% | 0.587 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.6 | -43.7 | 175.2 | -74.4 | 176.4 | -179 | 179.6 | 0 | 111.4 | E127 K128 N134 E135 | E127-K131 WeakPolarHBondContact O-CB 3.46Å; E127-K131 WeakPolarHBondContact O-CG 3.32Å; E127-K131 PolarHBondContact O-N 2.95Å; K128-K131 PolarHBondContact O-N 3.38Å; K131-N134 PolarHBondContact O-N 2.83Å; K131-E135 WeakPolarHBondContact O-CB 3.47Å; K131-E135 WeakPolarHBondContact O-CG 3.4Å; K131-E135 PolarHBondContact O-N 3.31Å |
| 132 | E | 75.6 | Confident | 65.5 | Low | 91 Ų | 91 | 103.3 Ų | 103.3 | 43% | 0.425 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 174.7 | -76.5 | 170.2 | 179.5 | 0 | 0 | 111.7 | K128 N134 E135 I136 | K128-E132 WeakPolarHBondContact CE-OE1 3.32Å; K128-E132 HydrophobicContact CG-CG 4.43Å; K128-E132 WeakPolarHBondContact CG-OE1 3.37Å; K128-E132 WeakPolarHBondContact O-CB 3.31Å; K128-E132 WeakPolarHBondContact O-CG 3.2Å; K128-E132 PolarHBondContact O-N 3.24Å; E132-N134 VanDerWaalsContact C-N 3.29Å; E132-N134 PolarHBondContact O-N 3.01Å; E132-E135 PolarHBondContact O-N 3.25Å; E132-I136 WeakPolarHBondContact O-CB 3.18Å; E132-I136 WeakPolarHBondContact O-CD1 3.33Å; E132-I136 WeakPolarHBondContact O-CG1 3.4Å; E132-I136 PolarHBondContact O-N 3.48Å |
| 133 | L | 72.5 | Confident | 65.4 | Low | 121 Ų | 121 | 104 Ų | 104 | 63% | 0.634 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.1 | -39.2 | 174 | -91.6 | 164.6 | 0 | 0 | 0 | 112.4 | R129 L137 | R129-L133 WeakPolarHBondContact O-CB 3.42Å; R129-L133 PolarHBondContact O-N 2.92Å; L133-L137 VanDerWaalsContact O-CB 3.27Å; L133-L137 WeakPolarHBondContact O-CB 3.49Å; L133-L137 PolarHBondContact O-N 3.04Å |
| 134 | N | 76.3 | Confident | 64.9 | Low | 78 Ų | 78 | 105.7 Ų | 105.7 | 42% | 0.417 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.8 | -38.3 | 178.4 | -164.5 | 26.7 | 0 | 0 | 0 | 111.9 | K130 K131 E132 L137 K138 | K130-N134 VanDerWaalsContact O-CB 3.31Å; K130-N134 WeakPolarHBondContact O-CB 3.45Å; K130-N134 PolarHBondContact O-N 2.81Å; K131-N134 PolarHBondContact O-N 2.83Å; E132-N134 VanDerWaalsContact C-N 3.29Å; E132-N134 PolarHBondContact O-N 3.01Å; N134-L137 PolarHBondContact O-N 3.15Å; N134-K138 WeakPolarHBondContact O-CB 3Å; N134-K138 WeakPolarHBondContact O-CG 3.5Å; N134-K138 PolarHBondContact O-N 3.21Å |
| 135 | E | 78.7 | Confident | 64.6 | Low | 105 Ų | 105 | 106.8 Ų | 106.8 | 49% | 0.491 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -70.3 | -38.9 | 175.4 | -74.8 | -54.1 | 123.4 | 0 | 0 | 112.3 | K131 E132 L137 K138 S139 | K131-E135 WeakPolarHBondContact O-CB 3.47Å; K131-E135 WeakPolarHBondContact O-CG 3.4Å; K131-E135 PolarHBondContact O-N 3.31Å; E132-E135 PolarHBondContact O-N 3.25Å; E135-L137 VanDerWaalsContact C-N 3.31Å; E135-L137 PolarHBondContact O-N 2.84Å; E135-K138 PolarHBondContact O-N 3.01Å; E135-K138 IonicContact OE1-NZ 3.76Å; E135-K138 PolarHBondContact OE1-NZ 3.05Å; E135-S139 WeakPolarHBondContact O-CB 3.1Å; E135-S139 PolarHBondContact O-N 3.44Å; E135-S139 PolarHBondContact O-OG 3.13Å |
| 136 | I | 76 | Confident | 64.5 | Low | 100 Ų | 100 | 108.9 Ų | 108.9 | 51% | 0.513 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63 | -40.4 | 171.6 | -67.7 | 163.3 | 0 | 0 | 0 | 110.6 | E132 S139 T140 | E132-I136 WeakPolarHBondContact O-CB 3.18Å; E132-I136 WeakPolarHBondContact O-CD1 3.33Å; E132-I136 WeakPolarHBondContact O-CG1 3.4Å; E132-I136 PolarHBondContact O-N 3.48Å; I136-S139 WeakPolarHBondContact CA-OG 3.27Å; I136-S139 PolarHBondContact O-OG 2.96Å; I136-T140 VanDerWaalsContact O-CB 3.3Å; I136-T140 WeakPolarHBondContact O-CB 3.3Å; I136-T140 PolarHBondContact O-N 3.02Å; I136-T140 PolarHBondContact O-OG1 2.68Å |
| 137 | L | 71.2 | Confident | 64.2 | Low | 108 Ų | 108 | 114.2 Ų | 114.2 | 57% | 0.565 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.2 | -43.1 | 176.6 | -175.7 | 65.4 | 0 | 0 | 0 | 111.4 | L133 N134 E135 V141 | L133-L137 VanDerWaalsContact O-CB 3.27Å; L133-L137 WeakPolarHBondContact O-CB 3.49Å; L133-L137 PolarHBondContact O-N 3.04Å; N134-L137 PolarHBondContact O-N 3.15Å; E135-L137 VanDerWaalsContact C-N 3.31Å; E135-L137 PolarHBondContact O-N 2.84Å; L137-V141 WeakPolarHBondContact O-CG2 3.43Å; L137-V141 PolarHBondContact O-N 2.83Å |
| 138 | K | 70.4 | Confident | 64 | Low | 97 Ų | 97 | 115.3 Ų | 115.3 | 42% | 0.422 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.9 | -44.8 | 176.2 | -76.7 | -179.4 | -159 | 164.9 | 0 | 112.9 | N134 E135 T140 V141 S142 | N134-K138 WeakPolarHBondContact O-CB 3Å; N134-K138 WeakPolarHBondContact O-CG 3.5Å; N134-K138 PolarHBondContact O-N 3.21Å; E135-K138 PolarHBondContact O-N 3.01Å; E135-K138 IonicContact OE1-NZ 3.76Å; E135-K138 PolarHBondContact OE1-NZ 3.05Å; K138-T140 VanDerWaalsContact C-N 3.27Å; K138-T140 PolarHBondContact O-N 3.39Å; K138-V141 WeakPolarHBondContact O-CG2 3.42Å; K138-V141 PolarHBondContact O-N 3.46Å; K138-V141 VanDerWaalsContact O-N 3.13Å; K138-S142 PolarHBondContact O-N 2.76Å |
| 139 | S | 65.7 | Low | 63.6 | Low | 70 Ų | 70 | 116.1 Ų | 116.1 | 49% | 0.49 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.4 | -35.6 | 178.2 | 67.1 | 0 | 0 | 0 | 0 | 111.7 | E135 I136 V141 S142 S143 | E135-S139 WeakPolarHBondContact O-CB 3.1Å; E135-S139 PolarHBondContact O-N 3.44Å; E135-S139 PolarHBondContact O-OG 3.13Å; I136-S139 WeakPolarHBondContact CA-OG 3.27Å; I136-S139 PolarHBondContact O-OG 2.96Å; S139-V141 VanDerWaalsContact C-N 3.3Å; S139-V141 PolarHBondContact O-N 3.43Å; S139-S142 PolarHBondContact O-N 2.96Å; S139-S143 PolarHBondContact O-N 3.41Å |
| 140 | T | 60.1 | Low | 63 | Low | 86 Ų | 86 | 111 Ų | 111 | 53% | 0.528 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.3 | -27.8 | 175 | -56.4 | 0 | 0 | 0 | 0 | 112.8 | I136 K138 | I136-T140 VanDerWaalsContact O-CB 3.3Å; I136-T140 WeakPolarHBondContact O-CB 3.3Å; I136-T140 PolarHBondContact O-N 3.02Å; I136-T140 PolarHBondContact O-OG1 2.68Å; K138-T140 VanDerWaalsContact C-N 3.27Å; K138-T140 PolarHBondContact O-N 3.39Å |
| 141 | V | 58.2 | Low | 62.5 | Low | 86 Ų | 86 | 116.4 Ų | 116.4 | 52% | 0.521 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -90 | -22.3 | 176.3 | -68.4 | 0 | 0 | 0 | 0 | 114.2 | L137 K138 S139 | L137-V141 WeakPolarHBondContact O-CG2 3.43Å; L137-V141 PolarHBondContact O-N 2.83Å; K138-V141 WeakPolarHBondContact O-CG2 3.42Å; K138-V141 PolarHBondContact O-N 3.46Å; K138-V141 VanDerWaalsContact O-N 3.13Å; S139-V141 VanDerWaalsContact C-N 3.3Å; S139-V141 PolarHBondContact O-N 3.43Å |
| 142 | S | 52.2 | Low | 62.3 | Low | 108 Ų | 108 | 113 Ų | 113 | 76% | 0.755 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -80.6 | -19.6 | 177.4 | -77.3 | 0 | 0 | 0 | 0 | 114.6 | K138 S139 | K138-S142 PolarHBondContact O-N 2.76Å; S139-S142 PolarHBondContact O-N 2.96Å |
| 143 | S | 51.1 | Low | 62.1 | Low | 96 Ų | 96 | 110.6 Ų | 110.6 | 67% | 0.671 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -97.5 | 9.7 | -170.9 | -161.7 | 0 | 0 | 0 | 0 | 116.5 | S139 | S139-S143 PolarHBondContact O-N 3.41Š|
| 144 | N | 44.8 | Very low | 62 | Low | 128 Ų | 128 | 112.4 Ų | 112.4 | 68% | 0.684 | 59% | 0.589 | S | S | * | * | trans | -131.2 | 100.4 | -179.6 | -82.8 | -23.8 | 0 | 0 | 0 | 112.4 | K146 | N144-K146 PolarHBondContact O-N 3.25Š| ||
| 145 | D | 49 | Very low | 61.9 | Low | 142 Ų | 142 | 111.8 Ų | 111.8 | 76% | 0.759 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -43 | 118.5 | 151.9 | -81.6 | -81.3 | 0 | 0 | 0 | 110.6 | K147 | D145-K147 PolarHBondContact O-N 3.33Š|
| 146 | K | 52.4 | Low | 61.3 | Low | 195 Ų | 195 | 113.1 Ų | 113.1 | 85% | 0.848 | 60% | 0.595 | S | S | * | * | S | Bend | trans | 42 | 76.5 | 154.2 | -58.2 | 174.4 | -178.8 | 138.9 | 0 | 115.2 | N144 | N144-K146 PolarHBondContact O-N 3.25Š|
| 147 | K | 52.8 | Low | 61.1 | Low | 184 Ų | 184 | 114.3 Ų | 114.3 | 80% | 0.8 | 60% | 0.598 | S | S | * | * | trans | -133.5 | 122.5 | 159.8 | -114.9 | 156.4 | -178.3 | 164 | 0 | 112 | D145 K149 | D145-K147 PolarHBondContact O-N 3.33Å; K147-K149 PolarHBondContact O-N 2.81Å | ||
| 148 | T | 56.8 | Low | 61.1 | Low | 119 Ų | 119 | 111.9 Ų | 111.9 | 73% | 0.73 | 59% | 0.588 | S | S | * | * | trans | -48.7 | 96.2 | -175.9 | 45.4 | 0 | 0 | 0 | 0 | 111.7 | G150 | T148-G150 PolarHBondContact O-N 3.06Š| ||
| 149 | K | 53.4 | Low | 60.8 | Low | 145 Ų | 145 | 113.6 Ų | 113.6 | 63% | 0.63 | 59% | 0.592 | S | S | * | * | trans | -72.9 | 103.9 | 175.9 | -149.3 | 153.5 | -173.7 | 168.5 | 0 | 107.6 | K147 G153 | K147-K149 PolarHBondContact O-N 2.81Å; K149-G153 WeakPolarHBondContact CE-O 3.18Å | ||
| 150 | G | 59.1 | Low | 60.9 | Low | 27 Ų | 27 | 113.2 Ų | 113.2 | 28% | 0.278 | 59% | 0.593 | S | S | . | * | trans | -58.8 | 169.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T148 T152 G153 | T148-G150 PolarHBondContact O-N 3.06Å; G150-T152 PolarHBondContact O-N 3.49Å; G150-G153 PolarHBondContact O-N 3.4Å; G150-G153 VanDerWaalsContact O-N 3.15Å | ||
| 151 | R | 63.1 | Low | 61 | Low | 224 Ų | 224 | 115.8 Ų | 115.8 | 85% | 0.845 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.2 | -10.3 | -169.1 | -160.8 | 175.7 | -179 | -164.3 | 4.7 | 117.1 | ||
| 152 | T | 69.6 | Low | 61.1 | Low | 62 Ų | 62 | 120 Ų | 120 | 38% | 0.38 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -121.8 | 0.6 | -170.8 | 54.4 | 0 | 0 | 0 | 0 | 114.6 | G150 W154 W159 | G150-T152 PolarHBondContact O-N 3.49Å; T152-W154 PolarHBondContact O-N 3.31Å; T152-W159 HydrophobicContact CG2-CH2 3.03Å; T152-W159 HydrophobicContact CG2-CZ2 3.33Å; T152-W159 HydrophobicContact CG2-CZ3 4.07Å; T152-W159 WeakPolarHBondContact OG1-CH2 3.41Å; T152-W159 WeakPolarHBondContact OG1-CZ2 3.38Å; T152-W159 WeakPolarHBondContact OG1-CZ3 3.44Å |
| 153 | G | 69.9 | Low | 61.3 | Low | 42 Ų | 42 | 122 Ų | 122 | 43% | 0.433 | 62% | 0.618 | S | S | . | * | S | Bend | trans | 76.2 | -2.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | K149 G150 | K149-G153 WeakPolarHBondContact CE-O 3.18Å; G150-G153 PolarHBondContact O-N 3.4Å; G150-G153 VanDerWaalsContact O-N 3.15Å |
| 154 | W | 70.8 | Confident | 61.5 | Low | 159 Ų | 159 | 126.5 Ų | 126.5 | 60% | 0.602 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -94.4 | 145.3 | 173.8 | -71.3 | 88.7 | 0 | 0 | 0 | 111.5 | T152 Q156 V158 | T152-W154 PolarHBondContact O-N 3.31Å; W154-Q156 PolarHBondContact O-N 3.37Å; W154-V158 HydrophobicContact CE3-CG1 4.21Å |
| 155 | P | 75.1 | Confident | 61.8 | Low | 65 Ų | 65 | 133.3 Ų | 133.3 | 42% | 0.422 | 65% | 0.653 | S | S | . | * | trans | -60.6 | 132.6 | 173.7 | -20 | 32 | 0 | 0 | 0 | 111 | H157 V158 | P155-H157 WeakPolarHBondContact CB-CE1 2.79Å; P155-H157 PolarHBondContact O-N 3.36Å; P155-H157 VanDerWaalsContact O-N 3.08Å; P155-V158 HydrophobicContact CB-CG2 4.08Å; P155-V158 HydrophobicContact CG-CG2 4.19Å; P155-V158 WeakPolarHBondContact O-CB 3.21Å; P155-V158 PolarHBondContact O-N 3.46Å | ||
| 156 | Q | 66.3 | Low | 62.4 | Low | 132 Ų | 132 | 132.9 Ų | 132.9 | 62% | 0.617 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -54 | -34 | -174 | -79 | 179.5 | -30.5 | 0 | 0 | 114.1 | W154 V158 W159 A160 | W154-Q156 PolarHBondContact O-N 3.37Å; Q156-V158 VanDerWaalsContact C-N 3.32Å; Q156-V158 PolarHBondContact O-N 3.26Å; Q156-W159 PolarHBondContact O-N 3.37Å; Q156-A160 PolarHBondContact O-N 3.44Å |
| 157 | H | 71.1 | Confident | 62.9 | Low | 126 Ų | 126 | 129.6 Ų | 129.6 | 58% | 0.583 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67.7 | -29 | 179.3 | 67.6 | -93.6 | 0 | 0 | 0 | 113.1 | P155 W159 A160 L161 | P155-H157 WeakPolarHBondContact CB-CE1 2.79Å; P155-H157 PolarHBondContact O-N 3.36Å; P155-H157 VanDerWaalsContact O-N 3.08Å; H157-W159 VanDerWaalsContact C-N 3.3Å; H157-W159 PolarHBondContact O-N 2.96Å; H157-A160 PolarHBondContact O-N 3.44Å; H157-L161 WeakPolarHBondContact O-CG 2.94Å; H157-L161 PolarHBondContact O-N 3.18Å |
| 158 | V | 71 | Confident | 63.5 | Low | 57 Ų | 57 | 126.6 Ų | 126.6 | 35% | 0.345 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -67.5 | -34 | 178.4 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | W154 P155 Q156 | W154-V158 HydrophobicContact CE3-CG1 4.21Å; P155-V158 HydrophobicContact CB-CG2 4.08Å; P155-V158 HydrophobicContact CG-CG2 4.19Å; P155-V158 WeakPolarHBondContact O-CB 3.21Å; P155-V158 PolarHBondContact O-N 3.46Å; Q156-V158 VanDerWaalsContact C-N 3.32Å; Q156-V158 PolarHBondContact O-N 3.26Å |
| 159 | W | 64.8 | Low | 63.9 | Low | 132 Ų | 132 | 127.1 Ų | 127.1 | 50% | 0.5 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -77.5 | -33.2 | 174.8 | -82.5 | -18 | 0 | 0 | 0 | 114.3 | T152 Q156 H157 L161 E162 | T152-W159 HydrophobicContact CG2-CH2 3.03Å; T152-W159 HydrophobicContact CG2-CZ2 3.33Å; T152-W159 HydrophobicContact CG2-CZ3 4.07Å; T152-W159 WeakPolarHBondContact OG1-CH2 3.41Å; T152-W159 WeakPolarHBondContact OG1-CZ2 3.38Å; T152-W159 WeakPolarHBondContact OG1-CZ3 3.44Å; Q156-W159 PolarHBondContact O-N 3.37Å; H157-W159 VanDerWaalsContact C-N 3.3Å; H157-W159 PolarHBondContact O-N 2.96Å; W159-L161 PolarHBondContact O-N 3.08Å; W159-E162 PolarHBondContact O-N 3.45Å |
| 160 | A | 66.7 | Low | 64.5 | Low | 63 Ų | 63 | 125.9 Ų | 125.9 | 52% | 0.521 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -67.7 | -26.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q156 H157 E162 L163 | Q156-A160 PolarHBondContact O-N 3.44Å; H157-A160 PolarHBondContact O-N 3.44Å; A160-E162 VanDerWaalsContact C-N 3.34Å; A160-L163 PolarHBondContact O-N 2.99Å |
| 161 | L | 62.9 | Low | 64.9 | Low | 139 Ų | 139 | 132.5 Ų | 132.5 | 73% | 0.728 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -74 | -20.8 | -180 | -69.5 | 169 | 0 | 0 | 0 | 113.6 | H157 W159 L163 | H157-L161 WeakPolarHBondContact O-CG 2.94Å; H157-L161 PolarHBondContact O-N 3.18Å; W159-L161 PolarHBondContact O-N 3.08Å; L161-L163 PolarHBondContact O-N 3.43Å |
| 162 | E | 60 | Low | 65 | Low | 174 Ų | 174 | 126 Ų | 126 | 81% | 0.813 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -76.1 | -4.5 | 177.4 | -160.4 | 86.3 | -145.8 | 0 | 0 | 112.8 | W159 A160 | W159-E162 PolarHBondContact O-N 3.45Å; A160-E162 VanDerWaalsContact C-N 3.34Å |
| 163 | L | 57.3 | Low | 64.7 | Low | 150 Ų | 150 | 130.9 Ų | 130.9 | 79% | 0.785 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -111.1 | 14.7 | -174.4 | -68.9 | 173.8 | 0 | 0 | 0 | 114.6 | A160 L161 | A160-L163 PolarHBondContact O-N 2.99Å; L161-L163 PolarHBondContact O-N 3.43Å |
| 164 | K | 54.6 | Low | 64.2 | Low | 192 Ų | 192 | 138.3 Ų | 138.3 | 84% | 0.835 | 67% | 0.668 | S | S | * | * | trans | -119 | 89.4 | 169.3 | -79.7 | 173 | 79.7 | 104.5 | 0 | 110.5 | ||||
| 165 | Q | 50.3 | Low | 63.6 | Low | 271 Ų | 271 | 136.5 Ų | 136.5 | 100% | 1.266 | 67% | 0.674 | S | S | * | * | trans | -105.5 | 0 | 141 | -75.8 | -147.8 | 17.3 | 0 | 0 | 108.2 |
Retrieved 165 of 165 residues in 352.6 ms
(Link to these results)