| 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 | 49.4 | Very low | 52 | Low | 245 Ų | 245 | 148.3 Ų | 148.3 | 100% | 1.207 | 85% | 0.848 | S | S | * | * | 0 | 114.8 | 0 | -68 | 170.1 | 102.8 | 0 | 0 | 106.8 | |||||
| 2 | M | 42.5 | Very low | 51.7 | Low | 179 Ų | 179 | 144.7 Ų | 144.7 | 88% | 0.882 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 140.5 | -178 | -62.9 | -63.5 | -79.9 | 0 | 0 | 110 | ||
| 3 | P | 57.6 | Low | 51.7 | Low | 121 Ų | 121 | 141.7 Ų | 141.7 | 79% | 0.786 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 128.3 | 173.5 | 29 | -29 | 0 | 0 | 0 | 109.8 | ||
| 4 | G | 50.1 | Low | 51.9 | Low | 74 Ų | 74 | 136.6 Ų | 136.6 | 76% | 0.763 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 139.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 5 | Q | 54.2 | Low | 51.8 | Low | 194 Ų | 194 | 135.8 Ų | 135.8 | 91% | 0.907 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 131.7 | 171.7 | -145.5 | 112.1 | -5 | 0 | 0 | 109.8 | ||
| 6 | I | 50.6 | Low | 51.9 | Low | 150 Ų | 150 | 137.9 Ų | 137.9 | 77% | 0.769 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 129.3 | 169.2 | -57.8 | 174.1 | 0 | 0 | 0 | 107.1 | ||
| 7 | P | 58.9 | Low | 51.8 | Low | 115 Ų | 115 | 136.6 Ų | 136.6 | 75% | 0.747 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -82 | 140.8 | 176.3 | 31.8 | -29.7 | 0 | 0 | 0 | 110.9 | ||
| 8 | D | 50 | Low | 51.7 | Low | 155 Ų | 155 | 135.6 Ų | 135.6 | 83% | 0.829 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 147 | 177.3 | -70.7 | -42.3 | 0 | 0 | 0 | 112.4 | S10 | D8-S10 PolarHBondContact O-N 2.8Š|
| 9 | P | 54.3 | Low | 51.6 | Low | 115 Ų | 115 | 137.6 Ų | 137.6 | 75% | 0.747 | 84% | 0.844 | S | S | * | * | trans | -80 | 116 | 175.7 | 31.4 | -30.7 | 0 | 0 | 0 | 110.8 | L11 | P9-L11 PolarHBondContact O-N 3.41Š| ||
| 10 | S | 49.7 | Very low | 51.7 | Low | 117 Ų | 117 | 133.5 Ų | 133.5 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | -75.2 | 102.7 | 169.2 | 52.4 | 0 | 0 | 0 | 0 | 110.4 | D8 A12 | D8-S10 PolarHBondContact O-N 2.8Å; S10-A12 PolarHBondContact O-N 2.96Å | ||
| 11 | L | 54.3 | Low | 52 | Low | 166 Ų | 166 | 133.5 Ų | 133.5 | 87% | 0.869 | 83% | 0.833 | S | S | * | * | trans | -81.8 | 103.1 | 167.1 | -69 | 174.5 | 0 | 0 | 0 | 108.9 | P9 A13 | P9-L11 PolarHBondContact O-N 3.41Å; L11-A13 PolarHBondContact O-N 3.45Å | ||
| 12 | A | 48.3 | Very low | 51.8 | Low | 105 Ų | 105 | 130.3 Ų | 130.3 | 87% | 0.868 | 82% | 0.819 | S | S | * | * | trans | -76.2 | 109.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | S10 | S10-A12 PolarHBondContact O-N 2.96Š| ||
| 13 | A | 52.3 | Low | 52.2 | Low | 106 Ų | 106 | 126.4 Ų | 126.4 | 88% | 0.876 | 82% | 0.816 | S | S | * | * | trans | -75 | 127.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | L11 | L11-A13 PolarHBondContact O-N 3.45Š| ||
| 14 | G | 54.7 | Low | 52 | Low | 71 Ų | 71 | 124.2 Ų | 124.2 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | trans | 116.3 | 96.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 15 | S | 49.7 | Very low | 51.7 | Low | 124 Ų | 124 | 129.3 Ų | 129.3 | 87% | 0.867 | 82% | 0.823 | S | S | * | * | trans | -173.8 | 90.7 | 137.3 | -86 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 16 | L | 53.9 | Low | 51.5 | Low | 170 Ų | 170 | 125.8 Ų | 125.8 | 89% | 0.89 | 82% | 0.819 | S | S | * | * | trans | -96 | 128.6 | 156.7 | -79.9 | 167.1 | 0 | 0 | 0 | 107 | S18 | L16-S18 PolarHBondContact O-N 2.94Š| ||
| 17 | P | 50.5 | Low | 50.9 | Low | 116 Ų | 116 | 122.6 Ų | 122.6 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | -69.4 | 119.8 | 172.7 | 27.2 | -29.5 | 0 | 0 | 0 | 109.1 | L19 | P17-L19 PolarHBondContact O-N 3.21Š| ||
| 18 | S | 49.2 | Very low | 50.9 | Low | 118 Ų | 118 | 122.8 Ų | 122.8 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -58.8 | 111.1 | 168.9 | 153.3 | 0 | 0 | 0 | 0 | 109.9 | L16 G20 | L16-S18 PolarHBondContact O-N 2.94Å; S18-G20 PolarHBondContact O-N 3.09Å | ||
| 19 | L | 51.1 | Low | 51.1 | Low | 173 Ų | 173 | 121.7 Ų | 121.7 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | trans | -81.7 | 102.4 | 166 | -75.5 | 167.9 | 0 | 0 | 0 | 108.7 | P17 | P17-L19 PolarHBondContact O-N 3.21Š| ||
| 20 | G | 52.1 | Low | 50.5 | Low | 55 Ų | 55 | 124.3 Ų | 124.3 | 57% | 0.567 | 82% | 0.821 | S | S | * | * | trans | -74 | 153.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S18 L22 | S18-G20 PolarHBondContact O-N 3.09Å; G20-L22 PolarHBondContact O-N 3.11Å | ||
| 21 | P | 59.5 | Low | 50.4 | Low | 135 Ų | 135 | 125.1 Ų | 125.1 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | trans | -83.6 | 117.4 | -179.4 | 31.3 | -29 | 0 | 0 | 0 | 110.2 | ||||
| 22 | L | 44.6 | Very low | 50.2 | Low | 177 Ų | 177 | 124.7 Ų | 124.7 | 93% | 0.927 | 82% | 0.82 | S | S | * | * | trans | -113.5 | 104.4 | 164.6 | -99.2 | 158.5 | 0 | 0 | 0 | 109.5 | G20 | G20-L22 PolarHBondContact O-N 3.11Š| ||
| 23 | A | 50 | Low | 50.4 | Low | 98 Ų | 98 | 127.4 Ų | 127.4 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | -55.7 | 152.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 24 | G | 53.3 | Low | 50.4 | Low | 74 Ų | 74 | 129 Ų | 129 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | trans | 115.4 | 62.5 | 154.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 25 | I | 44.9 | Very low | 50.6 | Low | 181 Ų | 181 | 132.1 Ų | 132.1 | 93% | 0.928 | 80% | 0.801 | S | S | * | * | trans | -147.1 | 101.5 | 143.5 | 19.7 | 172.6 | 0 | 0 | 0 | 108 | ||||
| 26 | S | 48.8 | Very low | 50.7 | Low | 120 Ų | 120 | 132.6 Ų | 132.6 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | -113.4 | 108 | 165.6 | -177.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 27 | A | 39.2 | Very low | 50.8 | Low | 83 Ų | 83 | 127.5 Ų | 127.5 | 69% | 0.686 | 78% | 0.775 | S | S | * | * | trans | -175.5 | 89.9 | 157.2 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 28 | T | 58.3 | Low | 50.9 | Low | 119 Ų | 119 | 125.8 Ų | 125.8 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | 49.4 | 124.8 | 100 | 62.3 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 29 | T | 53.8 | Low | 51.3 | Low | 132 Ų | 132 | 126.4 Ų | 126.4 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | trans | 92.8 | 72 | 160 | 79.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 30 | L | 42.8 | Very low | 51.6 | Low | 170 Ų | 170 | 124.4 Ų | 124.4 | 89% | 0.89 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -172.2 | 33.9 | 140.3 | -129.2 | 163.1 | 0 | 0 | 0 | 117 | ||
| 31 | T | 48.1 | Very low | 51.8 | Low | 134 Ų | 134 | 128.2 Ų | 128.2 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | trans | -133.2 | 12.5 | -178.8 | 42.8 | 0 | 0 | 0 | 0 | 116.2 | Q33 | T31-Q33 PolarHBondContact O-N 2.85Š| ||
| 32 | D | 49.9 | Very low | 51.7 | Low | 158 Ų | 158 | 127 Ų | 127 | 85% | 0.845 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | 22.9 | -176 | -110.3 | -0.3 | 0 | 0 | 0 | 115.4 | ||
| 33 | Q | 51.2 | Low | 52.3 | Low | 161 Ų | 161 | 120.5 Ų | 120.5 | 75% | 0.752 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.6 | 38.1 | 176.5 | -66.4 | -71.4 | 40.9 | 0 | 0 | 114.2 | T31 | T31-Q33 PolarHBondContact O-N 2.85Š|
| 34 | L | 53.7 | Low | 52.8 | Low | 139 Ų | 139 | 119.4 Ų | 119.4 | 73% | 0.728 | 68% | 0.681 | S | S | * | * | trans | -112.8 | 93 | 159.8 | -70.3 | 174.6 | 0 | 0 | 0 | 107.5 | L36 F39 | L34-L36 PolarHBondContact O-N 3.31Å; L34-F39 HydrophobicContact CB-CE2 4.4Å | ||
| 35 | K | 57.3 | Low | 53 | Low | 137 Ų | 137 | 122.6 Ų | 122.6 | 60% | 0.596 | 68% | 0.678 | S | S | * | * | trans | -58.3 | 127.1 | -178 | -67.6 | -176.2 | 178 | 179.4 | 0 | 108.6 | A37 D38 | K35-A37 HydrophobicContact CB-CB 4.46Å; K35-A37 PolarHBondContact O-N 2.84Å; K35-D38 PolarHBondContact O-N 3.43Å | ||
| 36 | L | 53.3 | Low | 53.7 | Low | 135 Ų | 135 | 120.7 Ų | 120.7 | 71% | 0.707 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -51.4 | -24.1 | 174 | -155.7 | 71.2 | 0 | 0 | 0 | 112.5 | L34 H40 | L34-L36 PolarHBondContact O-N 3.31Å; L36-H40 PolarHBondContact O-CD2 2.93Å; L36-H40 PolarHBondContact O-N 3.05Å |
| 37 | A | 54.4 | Low | 54.2 | Low | 62 Ų | 62 | 117.2 Ų | 117.2 | 51% | 0.512 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -63.3 | -35 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | K35 F39 H40 Q41 | K35-A37 HydrophobicContact CB-CB 4.46Å; K35-A37 PolarHBondContact O-N 2.84Å; A37-F39 PolarHBondContact O-N 3.26Å; A37-H40 PolarHBondContact O-N 3.42Å; A37-Q41 PolarHBondContact O-N 3.46Å; A37-Q41 VanDerWaalsContact O-N 3.07Å |
| 38 | D | 54.6 | Low | 55.2 | Low | 81 Ų | 81 | 118.4 Ų | 118.4 | 43% | 0.433 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -73.1 | -31.4 | -175.7 | -62.2 | -29.9 | 0 | 0 | 0 | 111.3 | K35 Q41 L42 | K35-D38 PolarHBondContact O-N 3.43Å; D38-Q41 PolarHBondContact O-N 3.49Å; D38-L42 PolarHBondContact O-N 3.23Å; D38-L42 VanDerWaalsContact O-N 3.11Å |
| 39 | F | 56.5 | Low | 55.1 | Low | 131 Ų | 131 | 119.4 Ų | 119.4 | 58% | 0.575 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72.3 | -34.8 | 172.5 | -76.2 | -75.9 | 0 | 0 | 0 | 112.8 | L34 A37 Q41 G43 | L34-F39 HydrophobicContact CB-CE2 4.4Å; A37-F39 PolarHBondContact O-N 3.26Å; F39-Q41 VanDerWaalsContact C-N 3.31Å; F39-G43 PolarHBondContact O-N 3.23Å |
| 40 | H | 57.7 | Low | 55.2 | Low | 130 Ų | 130 | 118 Ų | 118 | 60% | 0.602 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67.3 | -35.4 | 174 | -79.5 | -125.4 | 0 | 0 | 0 | 111.3 | L36 A37 G43 T44 | L36-H40 PolarHBondContact O-CD2 2.93Å; L36-H40 PolarHBondContact O-N 3.05Å; A37-H40 PolarHBondContact O-N 3.42Å; H40-G43 PolarHBondContact O-N 3Å; H40-T44 WeakPolarHBondContact O-CB 3.37Å; H40-T44 PolarHBondContact O-N 3.29Å; H40-T44 PolarHBondContact O-OG1 3.39Å |
| 41 | Q | 56 | Low | 55.6 | Low | 135 Ų | 135 | 118.9 Ų | 118.9 | 63% | 0.631 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -70.2 | -40.2 | 178 | -152.1 | 161.5 | 4.9 | 0 | 0 | 111.8 | A37 D38 F39 T44 M45 | A37-Q41 PolarHBondContact O-N 3.46Å; A37-Q41 VanDerWaalsContact O-N 3.07Å; D38-Q41 PolarHBondContact O-N 3.49Å; F39-Q41 VanDerWaalsContact C-N 3.31Å; Q41-T44 PolarHBondContact O-N 2.9Å; Q41-M45 VanDerWaalsContact O-CG 3.29Å; Q41-M45 WeakPolarHBondContact O-CG 3.22Å; Q41-M45 PolarHBondContact O-N 2.93Å |
| 42 | L | 56.7 | Low | 56.1 | Low | 110 Ų | 110 | 119.4 Ų | 119.4 | 58% | 0.576 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -66.1 | -41.3 | 169.6 | -94.7 | 156.3 | 0 | 0 | 0 | 112.7 | D38 T44 M45 L46 | D38-L42 PolarHBondContact O-N 3.23Å; D38-L42 VanDerWaalsContact O-N 3.11Å; L42-T44 PolarHBondContact O-N 3.45Å; L42-M45 PolarHBondContact O-N 3.27Å; L42-M45 VanDerWaalsContact O-N 3.1Å; L42-L46 PolarHBondContact O-N 2.93Å |
| 43 | G | 57.5 | Low | 56.3 | Low | 41 Ų | 41 | 115.1 Ų | 115.1 | 42% | 0.423 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -59.6 | -34 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F39 H40 S47 | F39-G43 PolarHBondContact O-N 3.23Å; H40-G43 PolarHBondContact O-N 3Å; G43-S47 WeakPolarHBondContact O-CA 3.34Å; G43-S47 WeakPolarHBondContact O-CB 3.25Å; G43-S47 PolarHBondContact O-N 2.9Å |
| 44 | T | 60.4 | Low | 56.3 | Low | 75 Ų | 75 | 117.8 Ų | 117.8 | 46% | 0.46 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -72.3 | -32.8 | 175.5 | -51.4 | 0 | 0 | 0 | 0 | 112.1 | H40 Q41 L42 H50 | H40-T44 WeakPolarHBondContact O-CB 3.37Å; H40-T44 PolarHBondContact O-N 3.29Å; H40-T44 PolarHBondContact O-OG1 3.39Å; Q41-T44 PolarHBondContact O-N 2.9Å; L42-T44 PolarHBondContact O-N 3.45Å; T44-H50 WeakPolarHBondContact O-CB 3.21Å |
| 45 | M | 57.3 | Low | 56.2 | Low | 141 Ų | 141 | 118.1 Ų | 118.1 | 70% | 0.695 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -82.4 | -24.2 | 179.7 | -64.5 | -69.1 | -79.7 | 0 | 0 | 113.4 | Q41 L42 | Q41-M45 VanDerWaalsContact O-CG 3.29Å; Q41-M45 WeakPolarHBondContact O-CG 3.22Å; Q41-M45 PolarHBondContact O-N 2.93Å; L42-M45 PolarHBondContact O-N 3.27Å; L42-M45 VanDerWaalsContact O-N 3.1Å |
| 46 | L | 59.5 | Low | 56.1 | Low | 141 Ų | 141 | 115 Ų | 115 | 74% | 0.738 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -100.7 | -8.2 | 174.7 | -101.8 | 76 | 0 | 0 | 0 | 113.9 | L42 P48 | L42-L46 PolarHBondContact O-N 2.93Å; L46-P48 WeakPolarHBondContact O-CD 3.5Å |
| 47 | S | 61.2 | Low | 56.4 | Low | 46 Ų | 46 | 118 Ų | 118 | 32% | 0.322 | 64% | 0.636 | S | S | . | * | trans | -63.5 | 123.7 | -179.9 | -175.7 | 0 | 0 | 0 | 0 | 110.1 | G43 L49 H50 | G43-S47 WeakPolarHBondContact O-CA 3.34Å; G43-S47 WeakPolarHBondContact O-CB 3.25Å; G43-S47 PolarHBondContact O-N 2.9Å; S47-L49 PolarHBondContact O-N 3.3Å; S47-H50 PolarHBondContact O-N 3.48Å | ||
| 48 | P | 58.3 | Low | 56.2 | Low | 108 Ų | 108 | 123.9 Ų | 123.9 | 70% | 0.701 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | -19.2 | 176.3 | -27.6 | 35.8 | 0 | 0 | 0 | 114.1 | L46 | L46-P48 WeakPolarHBondContact O-CD 3.5Š|
| 49 | L | 57.2 | Low | 56.3 | Low | 140 Ų | 140 | 124.9 Ų | 124.9 | 73% | 0.733 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -29.9 | 174.7 | -99.2 | 88.3 | 0 | 0 | 0 | 113.8 | S47 F51 L52 | S47-L49 PolarHBondContact O-N 3.3Å; L49-F51 VanDerWaalsContact C-N 3.34Å; L49-L52 PolarHBondContact O-N 3.15Å |
| 50 | H | 54.8 | Low | 56.2 | Low | 103 Ų | 103 | 125.5 Ų | 125.5 | 48% | 0.477 | 66% | 0.664 | S | S | . | * | G | 310 helix | trans | -78.1 | -22.2 | -174.7 | -146.9 | -113.6 | 0 | 0 | 0 | 112.4 | T44 S47 L52 G53 | T44-H50 WeakPolarHBondContact O-CB 3.21Å; S47-H50 PolarHBondContact O-N 3.48Å; H50-L52 PolarHBondContact O-N 2.82Å; H50-G53 PolarHBondContact O-N 2.95Å |
| 51 | F | 53 | Low | 56 | Low | 188 Ų | 188 | 121 Ų | 121 | 83% | 0.825 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -69.8 | -21 | 175 | -147.1 | -95.2 | 0 | 0 | 0 | 112.8 | L49 G53 | L49-F51 VanDerWaalsContact C-N 3.34Å; F51-G53 VanDerWaalsContact C-N 3.35Å |
| 52 | L | 57.7 | Low | 56.2 | Low | 145 Ų | 145 | 118.6 Ų | 118.6 | 76% | 0.759 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -82.7 | -10.6 | 178 | -63.6 | 172.8 | 0 | 0 | 0 | 113.3 | L49 H50 | L49-L52 PolarHBondContact O-N 3.15Å; H50-L52 PolarHBondContact O-N 2.82Å |
| 53 | G | 53.4 | Low | 56.4 | Low | 68 Ų | 68 | 120 Ų | 120 | 70% | 0.701 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -89.3 | -10.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | H50 F51 | H50-G53 PolarHBondContact O-N 2.95Å; F51-G53 VanDerWaalsContact C-N 3.35Å |
| 54 | R | 52.4 | Low | 56.6 | Low | 218 Ų | 218 | 121.7 Ų | 121.7 | 82% | 0.823 | 64% | 0.644 | S | S | * | * | trans | -118.9 | 44.4 | -178.9 | -67.3 | -152.5 | -151.6 | -82.9 | 3.7 | 114.4 | ||||
| 55 | L | 51.4 | Low | 56.8 | Low | 145 Ų | 145 | 124.2 Ų | 124.2 | 76% | 0.759 | 65% | 0.65 | S | S | * | * | trans | -108.1 | 81.1 | 159.4 | -67.8 | -179.4 | 0 | 0 | 0 | 109.5 | K57 | L55-K57 PolarHBondContact O-N 2.97Š| ||
| 56 | G | 54.8 | Low | 57.6 | Low | 73 Ų | 73 | 123 Ų | 123 | 75% | 0.753 | 64% | 0.644 | S | S | * | * | trans | -62 | 123.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 57 | K | 60 | Low | 58.2 | Low | 196 Ų | 196 | 120.8 Ų | 120.8 | 85% | 0.852 | 63% | 0.633 | S | S | * | * | S | Bend | trans | 62.7 | 81.3 | 155 | -57.3 | 179.2 | -178.1 | -178.1 | 0 | 117.1 | L55 | L55-K57 PolarHBondContact O-N 2.97Š|
| 58 | R | 50.9 | Low | 58.9 | Low | 187 Ų | 187 | 123.7 Ų | 123.7 | 71% | 0.706 | 64% | 0.642 | S | S | * | * | -150.2 | 85.8 | 128.4 | -99.6 | -169.9 | -75.5 | 172.5 | -1.8 | 109.9 | L60 I62 | R58-L60 PolarHBondContact O-N 3.15Å; R58-I62 WeakPolarHBondContact O-CD1 3.29Å; R58-I62 WeakPolarHBondContact O-CG1 3.43Å | |||
| 59 | P | 54.7 | Low | 60.2 | Low | 101 Ų | 101 | 121.6 Ų | 121.6 | 66% | 0.656 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -13.5 | -175.2 | -21.2 | 33.7 | 0 | 0 | 0 | 115.6 | ||
| 60 | L | 54.6 | Low | 61.7 | Low | 145 Ų | 145 | 120 Ų | 120 | 76% | 0.759 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -47.4 | -174.5 | -77 | 153.6 | 0 | 0 | 0 | 112.8 | R58 I62 K63 T64 | R58-L60 PolarHBondContact O-N 3.15Å; L60-I62 VanDerWaalsContact C-N 3.34Å; L60-I62 PolarHBondContact O-N 2.91Å; L60-K63 PolarHBondContact O-N 2.8Å; L60-T64 PolarHBondContact O-N 2.98Å; L60-T64 PolarHBondContact O-OG1 2.93Å |
| 61 | A | 54.8 | Low | 63.4 | Low | 36 Ų | 36 | 120.5 Ų | 120.5 | 30% | 0.298 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.7 | -34.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T64 E65 | A61-T64 PolarHBondContact O-N 3.3Å; A61-E65 WeakPolarHBondContact O-CG 3.35Å; A61-E65 PolarHBondContact O-N 3.17Å |
| 62 | I | 60 | Low | 65.4 | Low | 84 Ų | 84 | 117.7 Ų | 117.7 | 43% | 0.431 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -68.1 | -36.3 | 179.6 | -62.3 | 170.8 | 0 | 0 | 0 | 111.5 | R58 L60 M66 | R58-I62 WeakPolarHBondContact O-CD1 3.29Å; R58-I62 WeakPolarHBondContact O-CG1 3.43Å; L60-I62 VanDerWaalsContact C-N 3.34Å; L60-I62 PolarHBondContact O-N 2.91Å; I62-M66 HydrophobicContact CG2-CG 4.4Å; I62-M66 HydrophobicContact CG2-SD 4.17Å; I62-M66 WeakPolarHBondContact O-CB 3.49Å; I62-M66 WeakPolarHBondContact O-CG 3.32Å; I62-M66 PolarHBondContact O-N 3.38Å |
| 63 | K | 60.3 | Low | 67.1 | Low | 140 Ų | 140 | 116.3 Ų | 116.3 | 61% | 0.609 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68 | -44.1 | 176.9 | -73.5 | -178.6 | 177.3 | -178 | 0 | 111.3 | L60 E65 M66 D67 | L60-K63 PolarHBondContact O-N 2.8Å; K63-E65 VanDerWaalsContact C-N 3.35Å; K63-E65 PolarHBondContact O-N 3Å; K63-M66 PolarHBondContact O-N 3.46Å; K63-D67 WeakPolarHBondContact O-CB 3.15Å; K63-D67 PolarHBondContact O-N 2.95Å |
| 64 | T | 61.5 | Low | 69.1 | Low | 76 Ų | 76 | 120 Ų | 120 | 47% | 0.466 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -60.6 | -44 | 175.8 | -42.6 | 0 | 0 | 0 | 0 | 111.5 | L60 A61 M66 D67 E68 | L60-T64 PolarHBondContact O-N 2.98Å; L60-T64 PolarHBondContact O-OG1 2.93Å; A61-T64 PolarHBondContact O-N 3.3Å; T64-M66 PolarHBondContact O-N 3.48Å; T64-D67 PolarHBondContact O-N 2.96Å; T64-E68 WeakPolarHBondContact O-CB 3.47Å; T64-E68 WeakPolarHBondContact O-CG 3.47Å; T64-E68 PolarHBondContact O-N 3.45Å |
| 65 | E | 65.6 | Low | 71.1 | Confident | 127 Ų | 127 | 117.6 Ų | 117.6 | 59% | 0.593 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.9 | -36.9 | 175.8 | -71.7 | -171.1 | -168.4 | 0 | 0 | 112.8 | A61 K63 D69 | A61-E65 WeakPolarHBondContact O-CG 3.35Å; A61-E65 PolarHBondContact O-N 3.17Å; K63-E65 VanDerWaalsContact C-N 3.35Å; K63-E65 PolarHBondContact O-N 3Å; E65-D69 WeakPolarHBondContact O-CB 3.43Å; E65-D69 PolarHBondContact O-N 2.91Å |
| 66 | M | 72.8 | Confident | 73.3 | Confident | 115 Ų | 115 | 119.1 Ų | 119.1 | 57% | 0.567 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.7 | -40.7 | 174.5 | -77.4 | -177.2 | 67.4 | 0 | 0 | 112.7 | I62 K63 T64 D69 E70 | I62-M66 HydrophobicContact CG2-CG 4.4Å; I62-M66 HydrophobicContact CG2-SD 4.17Å; I62-M66 WeakPolarHBondContact O-CB 3.49Å; I62-M66 WeakPolarHBondContact O-CG 3.32Å; I62-M66 PolarHBondContact O-N 3.38Å; K63-M66 PolarHBondContact O-N 3.46Å; T64-M66 PolarHBondContact O-N 3.48Å; M66-D69 PolarHBondContact O-N 2.67Å; M66-E70 WeakPolarHBondContact O-CB 3.37Å; M66-E70 PolarHBondContact O-N 3.45Å |
| 67 | D | 72.5 | Confident | 75.4 | Confident | 95 Ų | 95 | 122.3 Ų | 122.3 | 51% | 0.508 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.7 | -43.5 | 177.1 | -68.3 | -21.6 | 0 | 0 | 0 | 110.5 | K63 T64 D69 E70 E71 | K63-D67 WeakPolarHBondContact O-CB 3.15Å; K63-D67 PolarHBondContact O-N 2.95Å; T64-D67 PolarHBondContact O-N 2.96Å; D67-D69 VanDerWaalsContact C-N 3.33Å; D67-D69 PolarHBondContact O-N 3.15Å; D67-E70 PolarHBondContact O-N 3.36Å; D67-E71 PolarHBondContact O-N 2.96Å |
| 68 | E | 77.1 | Confident | 77.2 | Confident | 107 Ų | 107 | 117.8 Ų | 117.8 | 50% | 0.5 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 173.7 | -74.7 | -179.6 | -170 | 0 | 0 | 112.4 | T64 E71 R72 | T64-E68 WeakPolarHBondContact O-CB 3.47Å; T64-E68 WeakPolarHBondContact O-CG 3.47Å; T64-E68 PolarHBondContact O-N 3.45Å; E68-E71 PolarHBondContact O-N 2.93Å; E68-R72 WeakPolarHBondContact O-CB 3.36Å; E68-R72 PolarHBondContact O-N 3.22Å |
| 69 | D | 84.2 | Confident | 79.4 | Confident | 65 Ų | 65 | 116.4 Ų | 116.4 | 35% | 0.348 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.7 | -34.1 | 174.5 | -88.8 | -19.8 | 0 | 0 | 0 | 112.9 | E65 M66 D67 R72 R73 | E65-D69 WeakPolarHBondContact O-CB 3.43Å; E65-D69 PolarHBondContact O-N 2.91Å; M66-D69 PolarHBondContact O-N 2.67Å; D67-D69 VanDerWaalsContact C-N 3.33Å; D67-D69 PolarHBondContact O-N 3.15Å; D69-R72 PolarHBondContact O-N 3.39Å; D69-R72 IonicContact OD1-CZ 3.47Å; D69-R72 IonicContact OD1-NH1 2.68Å; D69-R72 PolarHBondContact OD1-NH1 3.05Å; D69-R73 WeakPolarHBondContact O-CB 3.4Å; D69-R73 PolarHBondContact O-N 2.95Å |
| 70 | E | 89.4 | Confident | 81.5 | Confident | 106 Ų | 106 | 117 Ų | 117 | 50% | 0.495 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.3 | -43 | 174 | -178.3 | 156.8 | -153.4 | 0 | 0 | 112 | M66 D67 R72 R73 K74 | M66-E70 WeakPolarHBondContact O-CB 3.37Å; M66-E70 PolarHBondContact O-N 3.45Å; D67-E70 PolarHBondContact O-N 3.36Å; E70-R72 PolarHBondContact O-N 2.91Å; E70-R73 PolarHBondContact O-N 3.21Å; E70-K74 WeakPolarHBondContact O-CB 3.36Å; E70-K74 PolarHBondContact O-N 3.38Å |
| 71 | E | 91.3 | Very high | 83.6 | Confident | 113 Ų | 113 | 116.5 Ų | 116.5 | 53% | 0.528 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 172.2 | -73.5 | -164.1 | 179.3 | 0 | 0 | 111.9 | D67 E68 R73 K74 R75 | D67-E71 PolarHBondContact O-N 2.96Å; E68-E71 PolarHBondContact O-N 2.93Å; E71-R73 VanDerWaalsContact C-N 3.34Å; E71-R73 PolarHBondContact O-N 3.38Å; E71-K74 WeakPolarHBondContact O-CB 3.38Å; E71-K74 PolarHBondContact O-N 3.39Å; E71-R75 WeakPolarHBondContact O-CG 3.37Å; E71-R75 PolarHBondContact O-N 2.83Å |
| 72 | R | 93.1 | Very high | 85.7 | Confident | 129 Ų | 129 | 117.9 Ų | 117.9 | 49% | 0.487 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 175.7 | -172.5 | -174.7 | -64.6 | 153.2 | -3.5 | 111.1 | E68 D69 E70 R75 R76 | E68-R72 WeakPolarHBondContact O-CB 3.36Å; E68-R72 PolarHBondContact O-N 3.22Å; D69-R72 PolarHBondContact O-N 3.39Å; D69-R72 IonicContact OD1-CZ 3.47Å; D69-R72 IonicContact OD1-NH1 2.68Å; D69-R72 PolarHBondContact OD1-NH1 3.05Å; E70-R72 PolarHBondContact O-N 2.91Å; R72-R75 PolarHBondContact O-N 3.22Å; R72-R76 WeakPolarHBondContact O-CG 3.49Å; R72-R76 PolarHBondContact O-N 3.49Å |
| 73 | R | 94.6 | Very high | 87.5 | Confident | 116 Ų | 116 | 116.4 Ų | 116.4 | 44% | 0.438 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 173.5 | -92.5 | -176.8 | -94.1 | 106.4 | 1.7 | 111.8 | D69 E70 E71 R76 R77 | D69-R73 WeakPolarHBondContact O-CB 3.4Å; D69-R73 PolarHBondContact O-N 2.95Å; E70-R73 PolarHBondContact O-N 3.21Å; E71-R73 VanDerWaalsContact C-N 3.34Å; E71-R73 PolarHBondContact O-N 3.38Å; R73-R76 PolarHBondContact O-N 3.08Å; R73-R77 WeakPolarHBondContact O-CG 3.21Å; R73-R77 PolarHBondContact O-N 3.46Å |
| 74 | K | 95.1 | Very high | 89.3 | Confident | 146 Ų | 146 | 111.4 Ų | 111.4 | 64% | 0.635 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.7 | -46.2 | 176.8 | -171.9 | 178.9 | 179.1 | -178.9 | 0 | 111.5 | E70 E71 R76 R77 E78 | E70-K74 WeakPolarHBondContact O-CB 3.36Å; E70-K74 PolarHBondContact O-N 3.38Å; E71-K74 WeakPolarHBondContact O-CB 3.38Å; E71-K74 PolarHBondContact O-N 3.39Å; K74-R76 VanDerWaalsContact C-N 3.34Å; K74-R76 PolarHBondContact O-N 3.43Å; K74-R77 PolarHBondContact O-N 2.96Å; K74-E78 PolarHBondContact O-N 3.36Å |
| 75 | R | 95.6 | Very high | 91.1 | Very high | 168 Ų | 168 | 110 Ų | 110 | 63% | 0.634 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.7 | -40.7 | 175.6 | -69.9 | 178.9 | -167.9 | -117.7 | 5.2 | 112.1 | E71 R72 E78 K79 | E71-R75 WeakPolarHBondContact O-CG 3.37Å; E71-R75 PolarHBondContact O-N 2.83Å; R72-R75 PolarHBondContact O-N 3.22Å; R75-E78 PolarHBondContact O-N 2.97Å; R75-K79 VanDerWaalsContact O-CG 3.31Å; R75-K79 WeakPolarHBondContact O-CG 3.45Å; R75-K79 PolarHBondContact O-N 3.24Å |
| 76 | R | 97.4 | Very high | 92.7 | Very high | 177 Ų | 177 | 112.8 Ų | 112.8 | 67% | 0.668 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.3 | -44.2 | 175.4 | -73.8 | -179.7 | -179.5 | -166.7 | 1.7 | 112 | R72 R73 K74 K79 N80 | R72-R76 WeakPolarHBondContact O-CG 3.49Å; R72-R76 PolarHBondContact O-N 3.49Å; R73-R76 PolarHBondContact O-N 3.08Å; K74-R76 VanDerWaalsContact C-N 3.34Å; K74-R76 PolarHBondContact O-N 3.43Å; R76-K79 PolarHBondContact O-N 3.2Å; R76-N80 WeakPolarHBondContact O-CB 3.07Å; R76-N80 PolarHBondContact O-N 3.35Å |
| 77 | R | 97.9 | Very high | 93.9 | Very high | 140 Ų | 140 | 111.5 Ų | 111.5 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 176.1 | -74.5 | -175.2 | -72.4 | -128.1 | 3.9 | 111.9 | R73 K74 N80 K81 | R73-R77 WeakPolarHBondContact O-CG 3.21Å; R73-R77 PolarHBondContact O-N 3.46Å; K74-R77 PolarHBondContact O-N 2.96Å; R77-N80 PolarHBondContact O-N 2.97Å; R77-K81 WeakPolarHBondContact O-CB 3.44Å; R77-K81 PolarHBondContact O-N 3.39Å |
| 78 | E | 97.4 | Very high | 95.1 | Very high | 100 Ų | 100 | 116 Ų | 116 | 47% | 0.467 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 178.5 | -164.1 | 59 | -150 | 0 | 0 | 111.4 | K74 R75 N80 K81 V82 | K74-E78 PolarHBondContact O-N 3.36Å; R75-E78 PolarHBondContact O-N 2.97Å; E78-N80 PolarHBondContact O-N 2.94Å; E78-K81 WeakPolarHBondContact O-CB 2.99Å; E78-K81 PolarHBondContact O-N 3.08Å; E78-K81 IonicContact OE1-NZ 3.66Å; E78-V82 WeakPolarHBondContact O-CG2 3.29Å; E78-V82 PolarHBondContact O-N 2.97Å |
| 79 | K | 98.4 | Very high | 96.2 | Very high | 159 Ų | 159 | 115.3 Ų | 115.3 | 69% | 0.691 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.6 | -45.1 | 172.5 | -73.5 | 177.7 | -178.4 | -173.6 | 0 | 112.1 | R75 R76 V82 A83 | R75-K79 VanDerWaalsContact O-CG 3.31Å; R75-K79 WeakPolarHBondContact O-CG 3.45Å; R75-K79 PolarHBondContact O-N 3.24Å; R76-K79 PolarHBondContact O-N 3.2Å; K79-V82 PolarHBondContact O-N 2.99Å; K79-A83 WeakPolarHBondContact O-CB 3.45Å; K79-A83 PolarHBondContact O-N 3.42Å |
| 80 | N | 98.1 | Very high | 96.9 | Very high | 112 Ų | 112 | 119.6 Ų | 119.6 | 60% | 0.599 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.6 | -39 | 178.1 | -178.1 | -95.7 | 0 | 0 | 0 | 111.9 | R76 R77 E78 V82 A83 A84 | R76-N80 WeakPolarHBondContact O-CB 3.07Å; R76-N80 PolarHBondContact O-N 3.35Å; R77-N80 PolarHBondContact O-N 2.97Å; E78-N80 PolarHBondContact O-N 2.94Å; N80-V82 PolarHBondContact O-N 3.43Å; N80-A83 PolarHBondContact O-N 3.21Å; N80-A84 VanDerWaalsContact O-CB 3.31Å; N80-A84 WeakPolarHBondContact O-CB 3.46Å; N80-A84 PolarHBondContact O-N 2.81Å |
| 81 | K | 98.5 | Very high | 97.3 | Very high | 135 Ų | 135 | 122 Ų | 122 | 59% | 0.587 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -58.5 | -47.4 | 174.7 | -178 | -176.2 | 175.3 | -167.5 | 0 | 111.1 | R77 E78 A84 A85 | R77-K81 WeakPolarHBondContact O-CB 3.44Å; R77-K81 PolarHBondContact O-N 3.39Å; E78-K81 WeakPolarHBondContact O-CB 2.99Å; E78-K81 PolarHBondContact O-N 3.08Å; E78-K81 IonicContact OE1-NZ 3.66Å; K81-A84 PolarHBondContact O-N 3.31Å; K81-A85 WeakPolarHBondContact O-CB 3.38Å; K81-A85 PolarHBondContact O-N 3.46Å |
| 82 | V | 98.4 | Very high | 97.7 | Very high | 66 Ų | 66 | 122.7 Ų | 122.7 | 40% | 0.4 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.7 | -42.8 | 175.7 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | E78 K79 N80 A85 R86 | E78-V82 WeakPolarHBondContact O-CG2 3.29Å; E78-V82 PolarHBondContact O-N 2.97Å; K79-V82 PolarHBondContact O-N 2.99Å; N80-V82 PolarHBondContact O-N 3.43Å; V82-A85 PolarHBondContact O-N 3.35Å; V82-R86 HydrophobicContact CG1-CG 4.45Å; V82-R86 WeakPolarHBondContact O-CB 3.3Å; V82-R86 WeakPolarHBondContact O-CG 3.42Å; V82-R86 PolarHBondContact O-N 3.39Å |
| 83 | A | 98.6 | Very high | 97.9 | Very high | 53 Ų | 53 | 122.6 Ų | 122.6 | 44% | 0.438 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.4 | -42.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K79 N80 R86 C87 | K79-A83 WeakPolarHBondContact O-CB 3.45Å; K79-A83 PolarHBondContact O-N 3.42Å; N80-A83 PolarHBondContact O-N 3.21Å; A83-R86 PolarHBondContact O-N 2.98Å; A83-C87 WeakPolarHBondContact O-CB 3.35Å; A83-C87 PolarHBondContact O-N 2.95Å |
| 84 | A | 98.6 | Very high | 98.1 | Very high | 35 Ų | 35 | 125.2 Ų | 125.2 | 29% | 0.289 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.7 | -42.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | N80 K81 C87 R88 | N80-A84 VanDerWaalsContact O-CB 3.31Å; N80-A84 WeakPolarHBondContact O-CB 3.46Å; N80-A84 PolarHBondContact O-N 2.81Å; K81-A84 PolarHBondContact O-N 3.31Å; A84-C87 PolarHBondContact O-N 3.45Å; A84-R88 WeakPolarHBondContact O-CG 3.49Å; A84-R88 PolarHBondContact O-N 3.34Å |
| 85 | A | 98.6 | Very high | 98.3 | Very high | 45 Ų | 45 | 121.5 Ų | 121.5 | 37% | 0.372 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.4 | -45.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | K81 V82 C87 R88 N89 | K81-A85 WeakPolarHBondContact O-CB 3.38Å; K81-A85 PolarHBondContact O-N 3.46Å; V82-A85 PolarHBondContact O-N 3.35Å; A85-C87 VanDerWaalsContact C-N 3.35Å; A85-C87 PolarHBondContact O-N 3.35Å; A85-R88 PolarHBondContact O-N 3.48Å; A85-N89 WeakPolarHBondContact O-CB 3.34Å; A85-N89 VanDerWaalsContact O-CG 3.31Å; A85-N89 PolarHBondContact O-N 2.84Å; A85-N89 PolarHBondContact O-OD1 2.7Å |
| 86 | R | 98.6 | Very high | 98.4 | Very high | 186 Ų | 186 | 116.8 Ų | 116.8 | 70% | 0.702 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.2 | -40.9 | 175.1 | -74.6 | -178.8 | 177.6 | -149.5 | -1 | 112.4 | V82 A83 N89 K90 | V82-R86 HydrophobicContact CG1-CG 4.45Å; V82-R86 WeakPolarHBondContact O-CB 3.3Å; V82-R86 WeakPolarHBondContact O-CG 3.42Å; V82-R86 PolarHBondContact O-N 3.39Å; A83-R86 PolarHBondContact O-N 2.98Å; R86-N89 PolarHBondContact O-N 3.42Å; R86-K90 VanDerWaalsContact O-CB 3.26Å; R86-K90 WeakPolarHBondContact O-CB 3.47Å; R86-K90 PolarHBondContact O-N 3.12Å |
| 87 | C | 98.7 | Very high | 98.5 | Very high | 89 Ų | 89 | 114 Ų | 114 | 60% | 0.601 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.6 | -46.8 | 176.5 | -178.3 | 0 | 0 | 0 | 0 | 111.4 | A83 A84 A85 K90 K91 | A83-C87 WeakPolarHBondContact O-CB 3.35Å; A83-C87 PolarHBondContact O-N 2.95Å; A84-C87 PolarHBondContact O-N 3.45Å; A85-C87 VanDerWaalsContact C-N 3.35Å; A85-C87 PolarHBondContact O-N 3.35Å; C87-K90 PolarHBondContact O-N 2.94Å; C87-K91 WeakPolarHBondContact O-CB 3.27Å; C87-K91 PolarHBondContact O-N 3.47Å |
| 88 | R | 98.7 | Very high | 98.5 | Very high | 189 Ų | 189 | 111.5 Ų | 111.5 | 71% | 0.713 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.5 | -46.5 | 176 | -71 | 173.2 | -176.9 | 173.7 | 0.4 | 111.7 | A84 A85 K91 K92 | A84-R88 WeakPolarHBondContact O-CG 3.49Å; A84-R88 PolarHBondContact O-N 3.34Å; A85-R88 PolarHBondContact O-N 3.48Å; R88-K91 PolarHBondContact O-N 3.29Å; R88-K92 WeakPolarHBondContact O-CB 3.43Å; R88-K92 PolarHBondContact O-N 2.97Å |
| 89 | N | 98.6 | Very high | 98.6 | Very high | 92 Ų | 92 | 111.8 Ų | 111.8 | 49% | 0.492 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 178.7 | -72.5 | 2 | 0 | 0 | 0 | 111.4 | A85 R86 K91 K92 E93 | A85-N89 WeakPolarHBondContact O-CB 3.34Å; A85-N89 VanDerWaalsContact O-CG 3.31Å; A85-N89 PolarHBondContact O-N 2.84Å; A85-N89 PolarHBondContact O-OD1 2.7Å; R86-N89 PolarHBondContact O-N 3.42Å; N89-K91 VanDerWaalsContact C-N 3.29Å; N89-K91 PolarHBondContact O-N 2.83Å; N89-K92 CarbonylContact O-C 3.58Å; N89-K92 WeakPolarHBondContact O-CB 3.18Å; N89-K92 PolarHBondContact O-N 2.98Å; N89-K92 VanDerWaalsContact O-N 3.1Å; N89-E93 WeakPolarHBondContact O-CB 3.31Å; N89-E93 WeakPolarHBondContact O-CG 3.36Å; N89-E93 PolarHBondContact O-N 3Å |
| 90 | K | 98.8 | Very high | 98.6 | Very high | 156 Ų | 156 | 111.7 Ų | 111.7 | 68% | 0.678 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.5 | -38 | 177 | -173.5 | 172.4 | -177.1 | 176.1 | 0 | 112.1 | R86 C87 R94 | R86-K90 VanDerWaalsContact O-CB 3.26Å; R86-K90 WeakPolarHBondContact O-CB 3.47Å; R86-K90 PolarHBondContact O-N 3.12Å; C87-K90 PolarHBondContact O-N 2.94Å; K90-R94 WeakPolarHBondContact O-CB 3.38Å; K90-R94 PolarHBondContact O-N 3.23Å |
| 91 | K | 98.8 | Very high | 98.6 | Very high | 155 Ų | 155 | 109.3 Ų | 109.3 | 67% | 0.674 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64 | -45.7 | 173.8 | -172.3 | 176 | -179 | -180 | 0 | 110.8 | C87 R88 N89 R94 T95 | C87-K91 WeakPolarHBondContact O-CB 3.27Å; C87-K91 PolarHBondContact O-N 3.47Å; R88-K91 PolarHBondContact O-N 3.29Å; N89-K91 VanDerWaalsContact C-N 3.29Å; N89-K91 PolarHBondContact O-N 2.83Å; K91-R94 PolarHBondContact O-N 3.42Å; K91-T95 WeakPolarHBondContact O-CG2 3.37Å; K91-T95 PolarHBondContact O-N 2.86Å; K91-T95 PolarHBondContact O-OG1 3.37Å |
| 92 | K | 98.7 | Very high | 98.7 | Very high | 128 Ų | 128 | 105.3 Ų | 105.3 | 56% | 0.557 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.9 | -50 | 177.3 | -173.8 | -175.7 | 175.7 | -174.4 | 0 | 112 | R88 N89 R94 T95 D96 | R88-K92 WeakPolarHBondContact O-CB 3.43Å; R88-K92 PolarHBondContact O-N 2.97Å; N89-K92 CarbonylContact O-C 3.58Å; N89-K92 WeakPolarHBondContact O-CB 3.18Å; N89-K92 PolarHBondContact O-N 2.98Å; N89-K92 VanDerWaalsContact O-N 3.1Å; K92-R94 PolarHBondContact O-N 2.78Å; K92-T95 WeakPolarHBondContact CA-OG1 3.47Å; K92-T95 PolarHBondContact O-N 2.98Å; K92-T95 VanDerWaalsContact O-N 3.1Å; K92-T95 PolarHBondContact O-OG1 3.17Å; K92-D96 WeakPolarHBondContact CE-OD2 3.4Å; K92-D96 WeakPolarHBondContact O-CB 3.36Å; K92-D96 PolarHBondContact O-N 3.13Å |
| 93 | E | 98.7 | Very high | 98.7 | Very high | 127 Ų | 127 | 106.4 Ų | 106.4 | 59% | 0.593 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.1 | -39.7 | 177.4 | -73.5 | 168 | -166.6 | 0 | 0 | 111.6 | N89 D96 F97 | N89-E93 WeakPolarHBondContact O-CB 3.31Å; N89-E93 WeakPolarHBondContact O-CG 3.36Å; N89-E93 PolarHBondContact O-N 3Å; E93-D96 PolarHBondContact O-N 2.94Å; E93-F97 VanDerWaalsContact O-CB 3.27Å; E93-F97 WeakPolarHBondContact O-CB 3.4Å; E93-F97 PolarHBondContact O-N 3.02Å |
| 94 | R | 98.6 | Very high | 98.7 | Very high | 172 Ų | 172 | 109.5 Ų | 109.5 | 65% | 0.649 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.9 | -43.9 | 175.4 | -175.1 | 175.6 | -177.5 | -90.2 | 1.1 | 111.9 | K90 K91 K92 F97 L98 | K90-R94 WeakPolarHBondContact O-CB 3.38Å; K90-R94 PolarHBondContact O-N 3.23Å; K91-R94 PolarHBondContact O-N 3.42Å; K92-R94 PolarHBondContact O-N 2.78Å; R94-F97 PolarHBondContact O-N 2.95Å; R94-L98 HydrophobicContact CG-CD1 4.32Å; R94-L98 WeakPolarHBondContact O-CG 3.41Å; R94-L98 PolarHBondContact O-N 3.45Å; R94-L98 VanDerWaalsContact O-N 3.09Å |
| 95 | T | 98.6 | Very high | 98.7 | Very high | 68 Ų | 68 | 112.1 Ų | 112.1 | 42% | 0.417 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66 | -43.2 | 177 | 50.8 | 0 | 0 | 0 | 0 | 111.3 | K91 K92 F97 L98 Q99 | K91-T95 WeakPolarHBondContact O-CG2 3.37Å; K91-T95 PolarHBondContact O-N 2.86Å; K91-T95 PolarHBondContact O-OG1 3.37Å; K92-T95 WeakPolarHBondContact CA-OG1 3.47Å; K92-T95 PolarHBondContact O-N 2.98Å; K92-T95 VanDerWaalsContact O-N 3.1Å; K92-T95 PolarHBondContact O-OG1 3.17Å; T95-F97 VanDerWaalsContact C-N 3.29Å; T95-F97 PolarHBondContact O-N 3.32Å; T95-L98 PolarHBondContact O-N 3.45Å; T95-Q99 WeakPolarHBondContact O-CB 3.38Å; T95-Q99 PolarHBondContact O-N 3.48Å |
| 96 | D | 98.7 | Very high | 98.7 | Very high | 69 Ų | 69 | 115.7 Ų | 115.7 | 37% | 0.369 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.7 | -31.9 | 179.9 | -63.3 | -2.4 | 0 | 0 | 0 | 111.6 | K92 E93 R100 | K92-D96 WeakPolarHBondContact CE-OD2 3.4Å; K92-D96 WeakPolarHBondContact O-CB 3.36Å; K92-D96 PolarHBondContact O-N 3.13Å; E93-D96 PolarHBondContact O-N 2.94Å; D96-R100 WeakPolarHBondContact O-CB 3.26Å; D96-R100 WeakPolarHBondContact O-CG 3.3Å; D96-R100 PolarHBondContact O-N 2.95Å; D96-R100 PolarHBondContact O-NE 2.89Å |
| 97 | F | 98.6 | Very high | 98.7 | Very high | 118 Ų | 118 | 110.3 Ų | 110.3 | 52% | 0.518 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.6 | -50.2 | 172 | 175.4 | -94.9 | 0 | 0 | 0 | 111.7 | E93 R94 T95 Q99 R100 E101 | E93-F97 VanDerWaalsContact O-CB 3.27Å; E93-F97 WeakPolarHBondContact O-CB 3.4Å; E93-F97 PolarHBondContact O-N 3.02Å; R94-F97 PolarHBondContact O-N 2.95Å; T95-F97 VanDerWaalsContact C-N 3.29Å; T95-F97 PolarHBondContact O-N 3.32Å; F97-Q99 VanDerWaalsContact C-N 3.3Å; F97-Q99 PolarHBondContact O-N 3.04Å; F97-R100 PolarHBondContact O-N 3.4Å; F97-E101 WeakPolarHBondContact O-CB 3.4Å; F97-E101 PolarHBondContact O-N 3.45Å |
| 98 | L | 98.8 | Very high | 98.7 | Very high | 87 Ų | 87 | 108.5 Ų | 108.5 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.1 | -39.9 | -179.7 | -70.3 | 172.4 | 0 | 0 | 0 | 111.8 | R94 T95 E101 S102 | R94-L98 HydrophobicContact CG-CD1 4.32Å; R94-L98 WeakPolarHBondContact O-CG 3.41Å; R94-L98 PolarHBondContact O-N 3.45Å; R94-L98 VanDerWaalsContact O-N 3.09Å; T95-L98 PolarHBondContact O-N 3.45Å; L98-E101 PolarHBondContact O-N 2.81Å; L98-S102 PolarHBondContact O-N 2.92Å |
| 99 | Q | 98.7 | Very high | 98.7 | Very high | 107 Ų | 107 | 103.3 Ų | 103.3 | 50% | 0.5 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.5 | -50.9 | 176.9 | -176.2 | 62 | 30.1 | 0 | 0 | 111.5 | T95 F97 E101 S102 E103 | T95-Q99 WeakPolarHBondContact O-CB 3.38Å; T95-Q99 PolarHBondContact O-N 3.48Å; F97-Q99 VanDerWaalsContact C-N 3.3Å; F97-Q99 PolarHBondContact O-N 3.04Å; Q99-E101 VanDerWaalsContact C-N 3.29Å; Q99-E101 PolarHBondContact O-N 3.23Å; Q99-S102 WeakPolarHBondContact O-CB 3.33Å; Q99-S102 PolarHBondContact O-N 3.36Å; Q99-S102 VanDerWaalsContact O-N 3.17Å; Q99-E103 WeakPolarHBondContact CG-OE1 3.47Å; Q99-E103 PolarHBondContact NE2-OE1 2.77Å; Q99-E103 WeakPolarHBondContact O-CG 3.43Å; Q99-E103 PolarHBondContact O-N 3.5Å |
| 100 | R | 98.7 | Very high | 98.6 | Very high | 156 Ų | 156 | 102.3 Ų | 102.3 | 59% | 0.589 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.5 | -38.2 | 177.7 | -76 | -178.4 | -69.4 | 152.9 | -5 | 112.5 | D96 F97 R104 | D96-R100 WeakPolarHBondContact O-CB 3.26Å; D96-R100 WeakPolarHBondContact O-CG 3.3Å; D96-R100 PolarHBondContact O-N 2.95Å; D96-R100 PolarHBondContact O-NE 2.89Å; F97-R100 PolarHBondContact O-N 3.4Å; R100-R104 VanDerWaalsContact O-CB 3.3Å; R100-R104 WeakPolarHBondContact O-CB 3.48Å; R100-R104 PolarHBondContact O-N 3.3Å |
| 101 | E | 98.6 | Very high | 98.6 | Very high | 63 Ų | 63 | 99.7 Ų | 99.7 | 29% | 0.294 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.2 | -37.6 | 177.1 | -174.6 | 60 | -170.6 | 0 | 0 | 111.7 | F97 L98 Q99 R104 L105 | F97-E101 WeakPolarHBondContact O-CB 3.4Å; F97-E101 PolarHBondContact O-N 3.45Å; L98-E101 PolarHBondContact O-N 2.81Å; Q99-E101 VanDerWaalsContact C-N 3.29Å; Q99-E101 PolarHBondContact O-N 3.23Å; E101-R104 PolarHBondContact O-N 3.1Å; E101-R104 IonicContact OE1-CZ 3.45Å; E101-R104 IonicContact OE1-NE 3.86Å; E101-R104 PolarHBondContact OE1-NE 3.41Å; E101-R104 IonicContact OE1-NH2 3.48Å; E101-R104 PolarHBondContact OE1-NH2 3.09Å; E101-R104 IonicContact OE2-CZ 2.89Å; E101-R104 IonicContact OE2-NE 3.54Å; E101-R104 PolarHBondContact OE2-NE 3.26Å; E101-R104 IonicContact OE2-NH2 3.71Å; E101-L105 HydrophobicContact CG-CD1 4.19Å; E101-L105 WeakPolarHBondContact O-CB 3.48Å; E101-L105 VanDerWaalsContact O-CG 3.26Å; E101-L105 WeakPolarHBondContact O-CG 3.33Å; E101-L105 PolarHBondContact O-N 3.39Å |
| 102 | S | 98.8 | Very high | 98.6 | Very high | 50 Ų | 50 | 96.6 Ų | 96.6 | 35% | 0.35 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.4 | -52.7 | 171.9 | -163.2 | 0 | 0 | 0 | 0 | 111.1 | L98 Q99 R104 L105 E106 | L98-S102 PolarHBondContact O-N 2.92Å; Q99-S102 WeakPolarHBondContact O-CB 3.33Å; Q99-S102 PolarHBondContact O-N 3.36Å; Q99-S102 VanDerWaalsContact O-N 3.17Å; S102-R104 VanDerWaalsContact C-N 3.29Å; S102-R104 PolarHBondContact O-N 3Å; S102-L105 PolarHBondContact O-N 3.5Å; S102-L105 VanDerWaalsContact O-N 3.13Å; S102-E106 WeakPolarHBondContact O-CB 3.32Å; S102-E106 WeakPolarHBondContact O-CG 3.47Å; S102-E106 PolarHBondContact O-N 2.88Å; S102-E106 PolarHBondContact OG-OE1 2.95Å |
| 103 | E | 98.7 | Very high | 98.6 | Very high | 90 Ų | 90 | 96.7 Ų | 96.7 | 42% | 0.421 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.1 | -41.2 | 179.9 | -70.5 | 165.8 | -170.5 | 0 | 0 | 111.8 | Q99 E106 T107 | Q99-E103 WeakPolarHBondContact CG-OE1 3.47Å; Q99-E103 PolarHBondContact NE2-OE1 2.77Å; Q99-E103 WeakPolarHBondContact O-CG 3.43Å; Q99-E103 PolarHBondContact O-N 3.5Å; E103-E106 PolarHBondContact O-N 2.69Å; E103-T107 WeakPolarHBondContact O-CB 3.49Å; E103-T107 PolarHBondContact O-N 3.1Å; E103-T107 PolarHBondContact O-OG1 3.34Å |
| 104 | R | 98.7 | Very high | 98.6 | Very high | 118 Ų | 118 | 93.5 Ų | 93.5 | 45% | 0.445 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 175.9 | -170.2 | -167.5 | 72.2 | 72.9 | -0.5 | 111.2 | R100 E101 S102 T107 V108 | R100-R104 VanDerWaalsContact O-CB 3.3Å; R100-R104 WeakPolarHBondContact O-CB 3.48Å; R100-R104 PolarHBondContact O-N 3.3Å; E101-R104 PolarHBondContact O-N 3.1Å; E101-R104 IonicContact OE1-CZ 3.45Å; E101-R104 IonicContact OE1-NE 3.86Å; E101-R104 PolarHBondContact OE1-NE 3.41Å; E101-R104 IonicContact OE1-NH2 3.48Å; E101-R104 PolarHBondContact OE1-NH2 3.09Å; E101-R104 IonicContact OE2-CZ 2.89Å; E101-R104 IonicContact OE2-NE 3.54Å; E101-R104 PolarHBondContact OE2-NE 3.26Å; E101-R104 IonicContact OE2-NH2 3.71Å; S102-R104 VanDerWaalsContact C-N 3.29Å; S102-R104 PolarHBondContact O-N 3Å; R104-T107 PolarHBondContact O-N 2.92Å; R104-V108 WeakPolarHBondContact O-CG2 3.49Å; R104-V108 PolarHBondContact O-N 2.91Å |
| 105 | L | 98.8 | Very high | 98.6 | Very high | 89 Ų | 89 | 90.1 Ų | 90.1 | 47% | 0.466 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.2 | -39.6 | 179.5 | -73.3 | 173 | 0 | 0 | 0 | 111.8 | E101 S102 V108 N109 | E101-L105 HydrophobicContact CG-CD1 4.19Å; E101-L105 WeakPolarHBondContact O-CB 3.48Å; E101-L105 VanDerWaalsContact O-CG 3.26Å; E101-L105 WeakPolarHBondContact O-CG 3.33Å; E101-L105 PolarHBondContact O-N 3.39Å; S102-L105 PolarHBondContact O-N 3.5Å; S102-L105 VanDerWaalsContact O-N 3.13Å; L105-V108 PolarHBondContact O-N 3.3Å; L105-N109 WeakPolarHBondContact O-CB 3.39Å; L105-N109 PolarHBondContact O-N 2.77Å |
| 106 | E | 98.5 | Very high | 98.6 | Very high | 120 Ų | 120 | 90.7 Ų | 90.7 | 56% | 0.561 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60.6 | -44.7 | 174.2 | -75.8 | 167.3 | -146.9 | 0 | 0 | 111.5 | S102 E103 N109 S110 | S102-E106 WeakPolarHBondContact O-CB 3.32Å; S102-E106 WeakPolarHBondContact O-CG 3.47Å; S102-E106 PolarHBondContact O-N 2.88Å; S102-E106 PolarHBondContact OG-OE1 2.95Å; E103-E106 PolarHBondContact O-N 2.69Å; E106-N109 PolarHBondContact O-N 3.29Å; E106-S110 PolarHBondContact O-N 3.31Å |
| 107 | T | 98.6 | Very high | 98.5 | Very high | 73 Ų | 73 | 92.4 Ų | 92.4 | 45% | 0.448 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.2 | -54.8 | 176.2 | -54.3 | 0 | 0 | 0 | 0 | 110.5 | E103 R104 N109 S110 E111 | E103-T107 WeakPolarHBondContact O-CB 3.49Å; E103-T107 PolarHBondContact O-N 3.1Å; E103-T107 PolarHBondContact O-OG1 3.34Å; R104-T107 PolarHBondContact O-N 2.92Å; T107-N109 VanDerWaalsContact C-N 3.28Å; T107-N109 PolarHBondContact O-N 3.47Å; T107-S110 PolarHBondContact O-N 3.46Å; T107-S110 VanDerWaalsContact O-N 3.12Å; T107-S110 PolarHBondContact O-OG 3.07Å; T107-E111 WeakPolarHBondContact O-CG 3.31Å; T107-E111 PolarHBondContact O-N 3.12Å |
| 108 | V | 98.6 | Very high | 98.5 | Very high | 52 Ų | 52 | 93.3 Ų | 93.3 | 32% | 0.315 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.9 | -38.6 | 179 | 173.6 | 0 | 0 | 0 | 0 | 111.6 | R104 L105 E111 L112 | R104-V108 WeakPolarHBondContact O-CG2 3.49Å; R104-V108 PolarHBondContact O-N 2.91Å; L105-V108 PolarHBondContact O-N 3.3Å; V108-E111 PolarHBondContact O-N 2.91Å; V108-L112 HydrophobicContact CG1-CD1 3.94Å; V108-L112 HydrophobicContact CG1-CG 4.34Å; V108-L112 WeakPolarHBondContact O-CB 3.35Å; V108-L112 VanDerWaalsContact O-CG 3.31Å; V108-L112 WeakPolarHBondContact O-CG 3.27Å; V108-L112 PolarHBondContact O-N 2.98Å |
| 109 | N | 98.5 | Very high | 98.5 | Very high | 80 Ų | 80 | 94.2 Ų | 94.2 | 43% | 0.428 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 177.2 | -170.7 | -76 | 0 | 0 | 0 | 111.5 | L105 E106 T107 L112 K113 | L105-N109 WeakPolarHBondContact O-CB 3.39Å; L105-N109 PolarHBondContact O-N 2.77Å; E106-N109 PolarHBondContact O-N 3.29Å; T107-N109 VanDerWaalsContact C-N 3.28Å; T107-N109 PolarHBondContact O-N 3.47Å; N109-L112 PolarHBondContact O-N 2.85Å; N109-K113 WeakPolarHBondContact O-CB 3.26Å; N109-K113 WeakPolarHBondContact O-CG 3.44Å; N109-K113 PolarHBondContact O-N 2.95Å; N109-K113 VanDerWaalsContact OD1-CD 3.3Å; N109-K113 WeakPolarHBondContact OD1-CD 3.48Å; N109-K113 WeakPolarHBondContact OD1-CE 3.14Å; N109-K113 PolarHBondContact OD1-NZ 3.45Å |
| 110 | S | 98.4 | Very high | 98.3 | Very high | 70 Ų | 70 | 92.5 Ų | 92.5 | 49% | 0.49 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.4 | -40.7 | 177.7 | 74.2 | 0 | 0 | 0 | 0 | 112.3 | E106 T107 K113 A114 | E106-S110 PolarHBondContact O-N 3.31Å; T107-S110 PolarHBondContact O-N 3.46Å; T107-S110 VanDerWaalsContact O-N 3.12Å; T107-S110 PolarHBondContact O-OG 3.07Å; S110-K113 PolarHBondContact O-N 3.27Å; S110-A114 PolarHBondContact O-N 3.37Å |
| 111 | E | 98.6 | Very high | 98.2 | Very high | 102 Ų | 102 | 90.5 Ų | 90.5 | 48% | 0.477 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.6 | -46.9 | 176.1 | -71.3 | 173.7 | -178.1 | 0 | 0 | 111.7 | T107 V108 K113 A114 Q115 | T107-E111 WeakPolarHBondContact O-CG 3.31Å; T107-E111 PolarHBondContact O-N 3.12Å; V108-E111 PolarHBondContact O-N 2.91Å; E111-K113 VanDerWaalsContact C-N 3.34Å; E111-K113 PolarHBondContact O-N 3.4Å; E111-A114 WeakPolarHBondContact O-CB 3.45Å; E111-A114 PolarHBondContact O-N 2.98Å; E111-Q115 WeakPolarHBondContact O-CG 3.41Å; E111-Q115 PolarHBondContact O-N 3.44Å |
| 112 | L | 98.6 | Very high | 98.1 | Very high | 90 Ų | 90 | 92.4 Ų | 92.4 | 47% | 0.471 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 177.5 | -71.7 | 173.6 | 0 | 0 | 0 | 111.8 | V108 N109 A114 Q115 I116 | V108-L112 HydrophobicContact CG1-CD1 3.94Å; V108-L112 HydrophobicContact CG1-CG 4.34Å; V108-L112 WeakPolarHBondContact O-CB 3.35Å; V108-L112 VanDerWaalsContact O-CG 3.31Å; V108-L112 WeakPolarHBondContact O-CG 3.27Å; V108-L112 PolarHBondContact O-N 2.98Å; N109-L112 PolarHBondContact O-N 2.85Å; L112-A114 VanDerWaalsContact C-N 3.34Å; L112-Q115 PolarHBondContact O-N 3.36Å; L112-I116 VanDerWaalsContact O-CG1 3.27Å; L112-I116 WeakPolarHBondContact O-CG1 3.37Å; L112-I116 PolarHBondContact O-N 3.33Å |
| 113 | K | 98 | Very high | 98 | Very high | 129 Ų | 129 | 97 Ų | 97 | 56% | 0.561 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.6 | -42.4 | 173.8 | -79 | 172.9 | 173.3 | 162.9 | 0 | 111.7 | N109 S110 E111 I116 E117 | N109-K113 WeakPolarHBondContact O-CB 3.26Å; N109-K113 WeakPolarHBondContact O-CG 3.44Å; N109-K113 PolarHBondContact O-N 2.95Å; N109-K113 VanDerWaalsContact OD1-CD 3.3Å; N109-K113 WeakPolarHBondContact OD1-CD 3.48Å; N109-K113 WeakPolarHBondContact OD1-CE 3.14Å; N109-K113 PolarHBondContact OD1-NZ 3.45Å; S110-K113 PolarHBondContact O-N 3.27Å; E111-K113 VanDerWaalsContact C-N 3.34Å; E111-K113 PolarHBondContact O-N 3.4Å; K113-I116 PolarHBondContact O-N 3.29Å; K113-E117 PolarHBondContact O-N 3.49Å; K113-E117 VanDerWaalsContact O-N 3.08Å |
| 114 | A | 98.3 | Very high | 97.7 | Very high | 61 Ų | 61 | 98.1 Ų | 98.1 | 50% | 0.504 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S110 E111 L112 I116 E117 E118 | S110-A114 PolarHBondContact O-N 3.37Å; E111-A114 WeakPolarHBondContact O-CB 3.45Å; E111-A114 PolarHBondContact O-N 2.98Å; L112-A114 VanDerWaalsContact C-N 3.34Å; A114-I116 VanDerWaalsContact C-N 3.32Å; A114-I116 PolarHBondContact O-N 3.47Å; A114-E117 PolarHBondContact O-N 3.37Å; A114-E118 PolarHBondContact O-N 2.89Å |
| 115 | Q | 98.6 | Very high | 97.5 | Very high | 101 Ų | 101 | 98.4 Ų | 98.4 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.7 | -38.9 | 175.9 | -70.1 | 175.8 | 27.2 | 0 | 0 | 112.3 | E111 L112 E118 L119 | E111-Q115 WeakPolarHBondContact O-CG 3.41Å; E111-Q115 PolarHBondContact O-N 3.44Å; L112-Q115 PolarHBondContact O-N 3.36Å; Q115-E118 PolarHBondContact O-N 2.86Å; Q115-L119 WeakPolarHBondContact O-CB 3.45Å; Q115-L119 VanDerWaalsContact O-CG 3.29Å; Q115-L119 WeakPolarHBondContact O-CG 3.33Å; Q115-L119 PolarHBondContact O-N 2.7Å |
| 116 | I | 98.2 | Very high | 97.3 | Very high | 79 Ų | 79 | 98.5 Ų | 98.5 | 41% | 0.405 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61 | -45.4 | 175.2 | -72.7 | 164.9 | 0 | 0 | 0 | 110.8 | L112 K113 A114 R120 | L112-I116 VanDerWaalsContact O-CG1 3.27Å; L112-I116 WeakPolarHBondContact O-CG1 3.37Å; L112-I116 PolarHBondContact O-N 3.33Å; K113-I116 PolarHBondContact O-N 3.29Å; A114-I116 VanDerWaalsContact C-N 3.32Å; A114-I116 PolarHBondContact O-N 3.47Å; I116-R120 HydrophobicContact CG2-CG 4.49Å; I116-R120 WeakPolarHBondContact O-CB 3.39Å; I116-R120 WeakPolarHBondContact O-CG 3.45Å; I116-R120 PolarHBondContact O-N 2.9Å |
| 117 | E | 97.3 | Very high | 96.9 | Very high | 105 Ų | 105 | 94.7 Ų | 94.7 | 49% | 0.491 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.4 | -39.2 | 179.2 | -68.6 | -52.3 | 126.1 | 0 | 0 | 112.5 | K113 A114 R120 L121 | K113-E117 PolarHBondContact O-N 3.49Å; K113-E117 VanDerWaalsContact O-N 3.08Å; A114-E117 PolarHBondContact O-N 3.37Å; E117-R120 WeakPolarHBondContact O-CB 3.41Å; E117-R120 PolarHBondContact O-N 2.79Å; E117-R120 IonicContact OE1-CZ 2.69Å; E117-R120 IonicContact OE1-NE 3.91Å; E117-R120 IonicContact OE1-NH1 2.67Å; E117-R120 PolarHBondContact OE1-NH1 3.33Å; E117-L121 PolarHBondContact O-N 2.86Å |
| 118 | E | 98.3 | Very high | 96.5 | Very high | 138 Ų | 138 | 95.9 Ų | 95.9 | 65% | 0.645 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -59.4 | -50.3 | 174.1 | -176.8 | 176 | -165.2 | 0 | 0 | 111.5 | A114 Q115 R120 L121 E122 | A114-E118 PolarHBondContact O-N 2.89Å; Q115-E118 PolarHBondContact O-N 2.86Å; E118-R120 VanDerWaalsContact C-N 3.29Å; E118-R120 PolarHBondContact O-N 3.35Å; E118-L121 WeakPolarHBondContact O-CB 3.36Å; E118-L121 PolarHBondContact O-N 3.41Å; E118-L121 VanDerWaalsContact O-N 3.15Å; E118-E122 PolarHBondContact O-N 2.91Å |
| 119 | L | 98.4 | Very high | 96.2 | Very high | 106 Ų | 106 | 99 Ų | 99 | 56% | 0.555 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.1 | -34.1 | 178 | -70.2 | 171.4 | 0 | 0 | 0 | 112.4 | Q115 R123 | Q115-L119 WeakPolarHBondContact O-CB 3.45Å; Q115-L119 VanDerWaalsContact O-CG 3.29Å; Q115-L119 WeakPolarHBondContact O-CG 3.33Å; Q115-L119 PolarHBondContact O-N 2.7Å; L119-R123 WeakPolarHBondContact O-CB 3.47Å; L119-R123 PolarHBondContact O-N 3.07Å |
| 120 | R | 95.7 | Very high | 95.8 | Very high | 70 Ų | 70 | 100.9 Ų | 100.9 | 26% | 0.264 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 173.5 | -79.4 | 170.9 | 178.4 | -179.1 | 0 | 111.5 | I116 E117 E118 R123 Q124 | I116-R120 HydrophobicContact CG2-CG 4.49Å; I116-R120 WeakPolarHBondContact O-CB 3.39Å; I116-R120 WeakPolarHBondContact O-CG 3.45Å; I116-R120 PolarHBondContact O-N 2.9Å; E117-R120 WeakPolarHBondContact O-CB 3.41Å; E117-R120 PolarHBondContact O-N 2.79Å; E117-R120 IonicContact OE1-CZ 2.69Å; E117-R120 IonicContact OE1-NE 3.91Å; E117-R120 IonicContact OE1-NH1 2.67Å; E117-R120 PolarHBondContact OE1-NH1 3.33Å; E118-R120 VanDerWaalsContact C-N 3.29Å; E118-R120 PolarHBondContact O-N 3.35Å; R120-R123 PolarHBondContact O-N 2.83Å; R120-Q124 VanDerWaalsContact O-CG 3.29Å; R120-Q124 WeakPolarHBondContact O-CG 3.49Å; R120-Q124 PolarHBondContact O-N 3.47Å |
| 121 | L | 95.9 | Very high | 95.1 | Very high | 114 Ų | 114 | 101.1 Ų | 101.1 | 60% | 0.597 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.8 | -45.5 | 178.1 | -176.9 | 64.6 | 0 | 0 | 0 | 110.9 | E117 E118 R123 Q124 Q125 | E117-L121 PolarHBondContact O-N 2.86Å; E118-L121 WeakPolarHBondContact O-CB 3.36Å; E118-L121 PolarHBondContact O-N 3.41Å; E118-L121 VanDerWaalsContact O-N 3.15Å; L121-R123 PolarHBondContact O-N 3.11Å; L121-Q124 PolarHBondContact O-N 2.92Å; L121-Q124 VanDerWaalsContact O-N 3.17Å; L121-Q125 PolarHBondContact O-N 2.81Å |
| 122 | E | 97.4 | Very high | 94.7 | Very high | 103 Ų | 103 | 102.8 Ų | 102.8 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.9 | -46 | 177 | -171.5 | 180 | -173.6 | 0 | 0 | 111.2 | E118 Q124 Q125 L126 | E118-E122 PolarHBondContact O-N 2.91Å; E122-Q124 VanDerWaalsContact C-N 3.32Å; E122-Q124 PolarHBondContact O-N 3.26Å; E122-Q125 PolarHBondContact O-N 3.48Å; E122-L126 HydrophobicContact CG-CD1 4.3Å; E122-L126 WeakPolarHBondContact O-CG 3.43Å; E122-L126 PolarHBondContact O-N 3.22Å |
| 123 | R | 95.6 | Very high | 94.1 | Very high | 147 Ų | 147 | 103.3 Ų | 103.3 | 56% | 0.555 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -56.6 | -46.3 | 174.1 | 179.7 | -172.6 | 174.6 | -94.5 | 2.4 | 111.7 | L119 R120 L121 L126 M127 | L119-R123 WeakPolarHBondContact O-CB 3.47Å; L119-R123 PolarHBondContact O-N 3.07Å; R120-R123 PolarHBondContact O-N 2.83Å; L121-R123 PolarHBondContact O-N 3.11Å; R123-L126 PolarHBondContact O-N 2.9Å; R123-M127 WeakPolarHBondContact O-CB 3.44Å; R123-M127 PolarHBondContact O-N 3.46Å |
| 124 | Q | 93.8 | Very high | 93.4 | Very high | 114 Ų | 114 | 102.2 Ų | 102.2 | 53% | 0.533 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 179.3 | -73.8 | 173.7 | 28.9 | 0 | 0 | 111.1 | R120 L121 E122 M127 V128 | R120-Q124 VanDerWaalsContact O-CG 3.29Å; R120-Q124 WeakPolarHBondContact O-CG 3.49Å; R120-Q124 PolarHBondContact O-N 3.47Å; L121-Q124 PolarHBondContact O-N 2.92Å; L121-Q124 VanDerWaalsContact O-N 3.17Å; E122-Q124 VanDerWaalsContact C-N 3.32Å; E122-Q124 PolarHBondContact O-N 3.26Å; Q124-M127 PolarHBondContact O-N 2.91Å; Q124-V128 WeakPolarHBondContact O-CG2 3.48Å; Q124-V128 PolarHBondContact O-N 2.94Å |
| 125 | Q | 94.1 | Very high | 92.7 | Very high | 124 Ų | 124 | 102.9 Ų | 102.9 | 58% | 0.579 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.2 | -47.4 | 177.4 | -176.1 | 178.4 | 3.4 | 0 | 0 | 111.7 | L121 E122 M127 V128 M129 | L121-Q125 PolarHBondContact O-N 2.81Å; E122-Q125 PolarHBondContact O-N 3.48Å; Q125-M127 VanDerWaalsContact C-N 3.31Å; Q125-M127 PolarHBondContact O-N 3.39Å; Q125-V128 PolarHBondContact O-N 3.01Å; Q125-M129 WeakPolarHBondContact O-CG 3.33Å; Q125-M129 PolarHBondContact O-N 3.3Å |
| 126 | L | 94.3 | Very high | 92.1 | Very high | 90 Ų | 90 | 102.8 Ų | 102.8 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 176.1 | -71.3 | 175.7 | 0 | 0 | 0 | 111.6 | E122 R123 V128 M129 L130 | E122-L126 HydrophobicContact CG-CD1 4.3Å; E122-L126 WeakPolarHBondContact O-CG 3.43Å; E122-L126 PolarHBondContact O-N 3.22Å; R123-L126 PolarHBondContact O-N 2.9Å; L126-V128 PolarHBondContact O-N 3.21Å; L126-M129 PolarHBondContact O-N 3.1Å; L126-L130 WeakPolarHBondContact O-CG 3.29Å; L126-L130 PolarHBondContact O-N 2.82Å |
| 127 | M | 89.1 | Confident | 91.6 | Very high | 40 Ų | 40 | 100.6 Ų | 100.6 | 20% | 0.197 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 178.1 | -166.7 | 137.8 | 71.9 | 0 | 0 | 112.2 | R123 Q124 Q125 L130 N131 T146 | R123-M127 WeakPolarHBondContact O-CB 3.44Å; R123-M127 PolarHBondContact O-N 3.46Å; Q124-M127 PolarHBondContact O-N 2.91Å; Q125-M127 VanDerWaalsContact C-N 3.31Å; Q125-M127 PolarHBondContact O-N 3.39Å; M127-L130 PolarHBondContact O-N 3.19Å; M127-N131 WeakPolarHBondContact O-CB 3.31Å; M127-N131 VanDerWaalsContact O-CG 3.26Å; M127-N131 PolarHBondContact O-N 3.28Å; M127-N131 PolarHBondContact O-ND2 2.93Å; M127-T146 HydrophobicContact SD-CG2 3.93Å |
| 128 | V | 91.1 | Very high | 90.7 | Very high | 98 Ų | 98 | 103.5 Ų | 103.5 | 59% | 0.594 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.9 | -46.5 | 172.8 | 170 | 0 | 0 | 0 | 0 | 110.9 | Q124 Q125 L126 L130 N131 L132 | Q124-V128 WeakPolarHBondContact O-CG2 3.48Å; Q124-V128 PolarHBondContact O-N 2.94Å; Q125-V128 PolarHBondContact O-N 3.01Å; L126-V128 PolarHBondContact O-N 3.21Å; V128-L130 PolarHBondContact O-N 3.5Å; V128-N131 PolarHBondContact O-N 3.5Å; V128-L132 PolarHBondContact O-N 2.91Å |
| 129 | M | 92.2 | Very high | 89.7 | Confident | 118 Ų | 118 | 102.6 Ų | 102.6 | 58% | 0.581 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.1 | -44.2 | 177.6 | -70.9 | 178.9 | 64.5 | 0 | 0 | 112.1 | Q125 L126 L132 H133 | Q125-M129 WeakPolarHBondContact O-CG 3.33Å; Q125-M129 PolarHBondContact O-N 3.3Å; L126-M129 PolarHBondContact O-N 3.1Å; M129-L132 PolarHBondContact O-N 3.02Å; M129-H133 PolarHBondContact O-N 2.86Å; M129-H133 VanDerWaalsContact O-N 3.09Å |
| 130 | L | 89.3 | Confident | 87.9 | Confident | 120 Ų | 120 | 105 Ų | 105 | 63% | 0.628 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.9 | -43.6 | 177 | -71.9 | 174.7 | 0 | 0 | 0 | 112 | L126 M127 V128 L132 H133 R134 | L126-L130 WeakPolarHBondContact O-CG 3.29Å; L126-L130 PolarHBondContact O-N 2.82Å; M127-L130 PolarHBondContact O-N 3.19Å; V128-L130 PolarHBondContact O-N 3.5Å; L130-L132 VanDerWaalsContact C-N 3.32Å; L130-L132 PolarHBondContact O-N 3.44Å; L130-H133 PolarHBondContact O-N 3.25Å; L130-R134 PolarHBondContact O-N 3.42Å |
| 131 | N | 85.3 | Confident | 85.8 | Confident | 74 Ų | 74 | 106.8 Ų | 106.8 | 40% | 0.396 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.7 | -37.6 | 178.5 | -77.2 | -24.5 | 0 | 0 | 0 | 112.2 | M127 V128 P135 | M127-N131 WeakPolarHBondContact O-CB 3.31Å; M127-N131 VanDerWaalsContact O-CG 3.26Å; M127-N131 PolarHBondContact O-N 3.28Å; M127-N131 PolarHBondContact O-ND2 2.93Å; V128-N131 PolarHBondContact O-N 3.5Å; N131-P135 WeakPolarHBondContact O-CD 3.42Å |
| 132 | L | 89 | Confident | 83.9 | Confident | 137 Ų | 137 | 108.4 Ų | 108.4 | 72% | 0.717 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67 | -36.5 | 174.6 | -176.9 | 64.1 | 0 | 0 | 0 | 112.3 | V128 M129 L130 P135 | V128-L132 PolarHBondContact O-N 2.91Å; M129-L132 PolarHBondContact O-N 3.02Å; L130-L132 VanDerWaalsContact C-N 3.32Å; L130-L132 PolarHBondContact O-N 3.44Å; L132-P135 VanDerWaalsContact O-CD 3.25Å; L132-P135 WeakPolarHBondContact O-CD 3.47Å; L132-P135 VanDerWaalsContact O-CG 3.22Å; L132-P135 WeakPolarHBondContact O-CG 3.41Å |
| 133 | H | 87.1 | Confident | 81.8 | Confident | 102 Ų | 102 | 108.3 Ų | 108.3 | 47% | 0.472 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -73.5 | -37.4 | 178.2 | 178.5 | 61.7 | 0 | 0 | 0 | 112.9 | M129 L130 P135 T136 C137 | M129-H133 PolarHBondContact O-N 2.86Å; M129-H133 VanDerWaalsContact O-N 3.09Å; L130-H133 PolarHBondContact O-N 3.25Å; H133-P135 VanDerWaalsContact C-CD 3.42Å; H133-P135 VanDerWaalsContact C-N 3.33Å; H133-P135 VanDerWaalsContact O-N 3.1Å; H133-T136 WeakPolarHBondContact O-CA 3.38Å; H133-T136 PolarHBondContact O-N 3.28Å; H133-T136 PolarHBondContact O-OG1 3.33Å; H133-C137 WeakPolarHBondContact NE2-CB 3.21Å; H133-C137 PolarHBondContact O-N 3.38Å; H133-C137 VanDerWaalsContact O-N 3.11Å |
| 134 | R | 82.4 | Confident | 79.7 | Confident | 106 Ų | 106 | 105.7 Ų | 105.7 | 40% | 0.4 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -43.9 | -41.6 | -177 | -162.8 | 173.8 | -175.1 | 147.9 | 1.6 | 115.7 | L130 T136 R140 V144 | L130-R134 PolarHBondContact O-N 3.42Å; R134-T136 PolarHBondContact O-N 2.91Å; R134-R140 PolarHBondContact O-NH2 2.92Å; R134-V144 PolarHBondContact NH1-O 3.5Å; R134-V144 PolarHBondContact NH2-O 3.22Å |
| 135 | P | 84.6 | Confident | 77.8 | Confident | 74 Ų | 74 | 109.3 Ų | 109.3 | 48% | 0.481 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.4 | -26.3 | 176.2 | 20.4 | -33.4 | 0 | 0 | 0 | 115.2 | N131 L132 H133 R140 | N131-P135 WeakPolarHBondContact O-CD 3.42Å; L132-P135 VanDerWaalsContact O-CD 3.25Å; L132-P135 WeakPolarHBondContact O-CD 3.47Å; L132-P135 VanDerWaalsContact O-CG 3.22Å; L132-P135 WeakPolarHBondContact O-CG 3.41Å; H133-P135 VanDerWaalsContact C-CD 3.42Å; H133-P135 VanDerWaalsContact C-N 3.33Å; H133-P135 VanDerWaalsContact O-N 3.1Å; P135-R140 PolarHBondContact O-NH1 3.39Å; P135-R140 PolarHBondContact O-NH2 2.94Å |
| 136 | T | 85.9 | Confident | 75.7 | Confident | 99 Ų | 99 | 105.7 Ų | 105.7 | 61% | 0.607 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | -9.5 | -172.9 | 65 | 0 | 0 | 0 | 0 | 113.5 | H133 R134 I138 | H133-T136 WeakPolarHBondContact O-CA 3.38Å; H133-T136 PolarHBondContact O-N 3.28Å; H133-T136 PolarHBondContact O-OG1 3.33Å; R134-T136 PolarHBondContact O-N 2.91Å; T136-I138 PolarHBondContact O-N 3.04Å |
| 137 | C | 85.8 | Confident | 73.6 | Confident | 33 Ų | 33 | 105.5 Ų | 105.5 | 22% | 0.223 | 57% | 0.565 | C | S | . | * | trans | -64.2 | 132.5 | -178.7 | -177.1 | 0 | 0 | 0 | 0 | 111 | H133 V139 R140 | H133-C137 WeakPolarHBondContact NE2-CB 3.21Å; H133-C137 PolarHBondContact O-N 3.38Å; H133-C137 VanDerWaalsContact O-N 3.11Å; C137-V139 PolarHBondContact SG-N 3.41Å; C137-R140 VanDerWaalsContact O-CG 3.32Å; C137-R140 WeakPolarHBondContact O-CG 3.37Å | ||
| 138 | I | 78.9 | Confident | 71.7 | Confident | 167 Ų | 167 | 111.6 Ų | 111.6 | 86% | 0.856 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -81.4 | -22.7 | -179.2 | -60 | 167.2 | 0 | 0 | 0 | 111.2 | T136 R140 | T136-I138 PolarHBondContact O-N 3.04Å; I138-R140 PolarHBondContact O-N 3.43Å; I138-R140 VanDerWaalsContact O-N 3.15Å |
| 139 | V | 78.6 | Confident | 69.8 | Low | 118 Ų | 118 | 111.7 Ų | 111.7 | 72% | 0.715 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -85.7 | 26.1 | -174.2 | -165.3 | 0 | 0 | 0 | 0 | 112.3 | C137 T141 | C137-V139 PolarHBondContact SG-N 3.41Å; V139-T141 PolarHBondContact O-N 3.18Å |
| 140 | R | 59.8 | Low | 67.8 | Low | 157 Ų | 157 | 114.1 Ų | 114.1 | 59% | 0.592 | 61% | 0.607 | S | S | * | * | trans | -53.9 | 105.2 | -171.5 | -72.8 | -169.4 | 145.8 | 130.8 | -17.1 | 112.2 | R134 P135 C137 I138 | R134-R140 PolarHBondContact O-NH2 2.92Å; P135-R140 PolarHBondContact O-NH1 3.39Å; P135-R140 PolarHBondContact O-NH2 2.94Å; C137-R140 VanDerWaalsContact O-CG 3.32Å; C137-R140 WeakPolarHBondContact O-CG 3.37Å; I138-R140 PolarHBondContact O-N 3.43Å; I138-R140 VanDerWaalsContact O-N 3.15Å | ||
| 141 | T | 51.9 | Low | 66 | Low | 108 Ų | 108 | 111 Ų | 111 | 66% | 0.663 | 60% | 0.599 | S | S | * | * | trans | -124.2 | 140 | 156.3 | 52.8 | 0 | 0 | 0 | 0 | 106.5 | V139 S143 | V139-T141 PolarHBondContact O-N 3.18Å; T141-S143 PolarHBondContact O-N 3.46Å | ||
| 142 | D | 55.4 | Low | 64.4 | Low | 147 Ų | 147 | 112 Ų | 112 | 79% | 0.786 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -79.8 | 30.5 | -160.9 | -38.9 | -49.4 | 0 | 0 | 0 | 111.8 | ||
| 143 | S | 53.3 | Low | 62.9 | Low | 101 Ų | 101 | 109.7 Ų | 109.7 | 71% | 0.706 | 60% | 0.598 | S | S | * | * | trans | -113.6 | 12.3 | -152.4 | -133.6 | 0 | 0 | 0 | 0 | 115.9 | T141 | T141-S143 PolarHBondContact O-N 3.46Š| ||
| 144 | V | 52.9 | Low | 61.1 | Low | 93 Ų | 93 | 110.4 Ų | 110.4 | 56% | 0.564 | 60% | 0.604 | S | S | * | * | trans | -115.7 | 78.8 | 163.5 | -167.1 | 0 | 0 | 0 | 0 | 107.9 | R134 T146 | R134-V144 PolarHBondContact NH1-O 3.5Å; R134-V144 PolarHBondContact NH2-O 3.22Å; V144-T146 VanDerWaalsContact C-N 3.29Å; V144-T146 HydrophobicContact CG1-CG2 4.3Å; V144-T146 PolarHBondContact O-N 2.93Å; V144-T146 VanDerWaalsContact O-N 3.15Å | ||
| 145 | K | 51.9 | Low | 59.7 | Low | 190 Ų | 190 | 109.1 Ų | 109.1 | 83% | 0.826 | 61% | 0.605 | S | S | * | * | trans | -64.9 | 101.6 | 151.9 | -67.8 | 179 | -178.5 | 179 | 0 | 104.3 | P147 | K145-P147 WeakPolarHBondContact O-CD 3.36Å; K145-P147 VanDerWaalsContact O-N 3.12Å | ||
| 146 | T | 49.9 | Very low | 58.3 | Low | 48 Ų | 48 | 111.4 Ų | 111.4 | 29% | 0.294 | 61% | 0.609 | S | S | . | * | trans | -58.3 | 113 | 163.5 | 38.3 | 0 | 0 | 0 | 0 | 105.6 | M127 V144 E148 | M127-T146 HydrophobicContact SD-CG2 3.93Å; V144-T146 VanDerWaalsContact C-N 3.29Å; V144-T146 HydrophobicContact CG1-CG2 4.3Å; V144-T146 PolarHBondContact O-N 2.93Å; V144-T146 VanDerWaalsContact O-N 3.15Å; T146-E148 VanDerWaalsContact C-N 3.28Å; T146-E148 PolarHBondContact O-N 2.91Å | ||
| 147 | P | 51.8 | Low | 56.7 | Low | 86 Ų | 86 | 112.6 Ų | 112.6 | 56% | 0.558 | 61% | 0.608 | S | S | * | * | trans | -70 | 102.3 | 166.7 | 28.9 | -24.2 | 0 | 0 | 0 | 104.5 | K145 S149 | K145-P147 WeakPolarHBondContact O-CD 3.36Å; K145-P147 VanDerWaalsContact O-N 3.12Å; P147-S149 PolarHBondContact O-N 3.5Å | ||
| 148 | E | 48.6 | Very low | 55 | Low | 167 Ų | 167 | 115.9 Ų | 115.9 | 78% | 0.78 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -69.2 | 17.6 | 169.5 | -57.5 | -138.2 | 151.9 | 0 | 0 | 112.1 | T146 | T146-E148 VanDerWaalsContact C-N 3.28Å; T146-E148 PolarHBondContact O-N 2.91Å |
| 149 | S | 51.5 | Low | 53.7 | Low | 100 Ų | 100 | 111.2 Ų | 111.2 | 70% | 0.699 | 61% | 0.605 | S | S | * | * | trans | -142.5 | 59.9 | -175.6 | 178.3 | 0 | 0 | 0 | 0 | 110.3 | P147 | P147-S149 PolarHBondContact O-N 3.5Š| ||
| 150 | E | 49.8 | Very low | 52.4 | Low | 169 Ų | 169 | 109 Ų | 109 | 79% | 0.79 | 60% | 0.599 | S | S | * | * | trans | -102.9 | 79.4 | 143.5 | -72.5 | -171.5 | 176.3 | 0 | 0 | 106.2 | N152 | E150-N152 VanDerWaalsContact C-N 3.3Å; E150-N152 PolarHBondContact O-N 3.39Å | ||
| 151 | A | 52.3 | Low | 51.9 | Low | 54 Ų | 54 | 109 Ų | 109 | 45% | 0.446 | 61% | 0.606 | S | S | . | * | trans | -49.7 | 109 | 153 | 0 | 0 | 0 | 0 | 0 | 105.3 | P153 | A151-P153 WeakPolarHBondContact O-CD 3.33Š| ||
| 152 | N | 50.5 | Low | 51.7 | Low | 95 Ų | 95 | 109.4 Ų | 109.4 | 51% | 0.508 | 61% | 0.608 | S | S | . | * | trans | -63 | 106.3 | -179.7 | -163.6 | -18.3 | 0 | 0 | 0 | 105.3 | E150 L154 L155 E156 | E150-N152 VanDerWaalsContact C-N 3.3Å; E150-N152 PolarHBondContact O-N 3.39Å; N152-L154 PolarHBondContact O-N 2.93Å; N152-L155 HydrophobicContact CB-CB 4.12Å; N152-L155 WeakPolarHBondContact O-CB 3.47Å; N152-L155 PolarHBondContact O-N 3.37Å; N152-E156 PolarHBondContact O-N 2.93Å | ||
| 153 | P | 57 | Low | 50.9 | Low | 90 Ų | 90 | 114.7 Ų | 114.7 | 58% | 0.584 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.1 | -19.2 | -166.3 | 15.9 | -19.9 | 0 | 0 | 0 | 111.9 | A151 Q157 | A151-P153 WeakPolarHBondContact O-CD 3.33Å; P153-Q157 WeakPolarHBondContact O-CG 3.47Å; P153-Q157 PolarHBondContact O-N 2.68Å |
| 154 | L | 50.7 | Low | 50.8 | Low | 117 Ų | 117 | 115.4 Ų | 115.4 | 61% | 0.613 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -77 | -25.6 | 175.8 | -139.1 | 134.3 | 0 | 0 | 0 | 113.1 | N152 L158 | N152-L154 PolarHBondContact O-N 2.93Å; L154-L158 HydrophobicContact CD2-CD1 4.47Å; L154-L158 WeakPolarHBondContact O-CG 3.42Å; L154-L158 PolarHBondContact O-N 3.2Å |
| 155 | L | 52.3 | Low | 50.7 | Low | 79 Ų | 79 | 116.6 Ų | 116.6 | 41% | 0.414 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -80.7 | -33.3 | 176.6 | -164.5 | 73.6 | 0 | 0 | 0 | 112.1 | N152 S159 | N152-L155 HydrophobicContact CB-CB 4.12Å; N152-L155 WeakPolarHBondContact O-CB 3.47Å; N152-L155 PolarHBondContact O-N 3.37Å; L155-S159 PolarHBondContact O-N 2.89Å; L155-S159 PolarHBondContact O-OG 3.49Å |
| 156 | E | 55.7 | Low | 50.7 | Low | 122 Ų | 122 | 112.5 Ų | 112.5 | 57% | 0.57 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67.2 | -36.5 | 171.9 | -82.5 | -174.7 | 160.3 | 0 | 0 | 111.8 | N152 S159 A160 | N152-E156 PolarHBondContact O-N 2.93Å; E156-S159 WeakPolarHBondContact CA-OG 3.32Å; E156-S159 PolarHBondContact O-N 3.46Å; E156-S159 PolarHBondContact O-OG 3.45Å; E156-S159 VanDerWaalsContact O-OG 3.08Å; E156-A160 WeakPolarHBondContact O-CB 3.47Å; E156-A160 PolarHBondContact O-N 3.35Å |
| 157 | Q | 52.3 | Low | 50.7 | Low | 124 Ų | 124 | 116.3 Ų | 116.3 | 58% | 0.579 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -64.4 | -42.4 | 176.5 | -74.6 | 173.1 | -14.8 | 0 | 0 | 112.4 | P153 S159 A160 E161 | P153-Q157 WeakPolarHBondContact O-CG 3.47Å; P153-Q157 PolarHBondContact O-N 2.68Å; Q157-S159 VanDerWaalsContact C-N 3.34Å; Q157-S159 PolarHBondContact O-N 3.02Å; Q157-A160 PolarHBondContact O-N 3.35Å; Q157-E161 WeakPolarHBondContact O-CG 3.48Å; Q157-E161 PolarHBondContact O-N 3.4Å |
| 158 | L | 50.8 | Low | 50.6 | Low | 101 Ų | 101 | 118.2 Ų | 118.2 | 53% | 0.529 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -71.6 | -26.8 | 178.7 | -67.7 | 170.3 | 0 | 0 | 0 | 113.5 | L154 T162 | L154-L158 HydrophobicContact CD2-CD1 4.47Å; L154-L158 WeakPolarHBondContact O-CG 3.42Å; L154-L158 PolarHBondContact O-N 3.2Å; L158-T162 PolarHBondContact O-OG1 2.95Å |
| 159 | S | 50 | Low | 50.8 | Low | 70 Ų | 70 | 114.9 Ų | 114.9 | 49% | 0.49 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -84 | -24.9 | 175.1 | 50.5 | 0 | 0 | 0 | 0 | 113 | L155 E156 Q157 T162 | L155-S159 PolarHBondContact O-N 2.89Å; L155-S159 PolarHBondContact O-OG 3.49Å; E156-S159 WeakPolarHBondContact CA-OG 3.32Å; E156-S159 PolarHBondContact O-N 3.46Å; E156-S159 PolarHBondContact O-OG 3.45Å; E156-S159 VanDerWaalsContact O-OG 3.08Å; Q157-S159 VanDerWaalsContact C-N 3.34Å; Q157-S159 PolarHBondContact O-N 3.02Å; S159-T162 PolarHBondContact O-OG1 3.34Å; S159-T162 VanDerWaalsContact O-OG1 3.05Å |
| 160 | A | 52.7 | Low | 50.7 | Low | 70 Ų | 70 | 116 Ų | 116 | 58% | 0.579 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -74.6 | -31.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | E156 Q157 T162 | E156-A160 WeakPolarHBondContact O-CB 3.47Å; E156-A160 PolarHBondContact O-N 3.35Å; Q157-A160 PolarHBondContact O-N 3.35Å; A160-T162 PolarHBondContact O-N 3.14Å |
| 161 | E | 48.9 | Very low | 50.8 | Low | 158 Ų | 158 | 111.9 Ų | 111.9 | 74% | 0.738 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -7.7 | 178.4 | -72.5 | 178 | 177.3 | 0 | 0 | 114.1 | Q157 | Q157-E161 WeakPolarHBondContact O-CG 3.48Å; Q157-E161 PolarHBondContact O-N 3.4Å |
| 162 | T | 47.6 | Very low | 50.6 | Low | 117 Ų | 117 | 116.8 Ų | 116.8 | 72% | 0.718 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | 15.1 | 179.9 | 47.5 | 0 | 0 | 0 | 0 | 113.9 | L158 S159 A160 | L158-T162 PolarHBondContact O-OG1 2.95Å; S159-T162 PolarHBondContact O-OG1 3.34Å; S159-T162 VanDerWaalsContact O-OG1 3.05Å; A160-T162 PolarHBondContact O-N 3.14Å |
| 163 | K | 39.3 | Very low | 50.7 | Low | 258 Ų | 258 | 118.7 Ų | 118.7 | 100% | 1.122 | 63% | 0.63 | S | S | * | * | trans | -111.6 | 0 | 174.8 | -102.9 | -177.3 | 179.3 | 178.1 | 0 | 113.3 |
Retrieved 163 of 163 residues in 41.7 ms
(Link to these results)