| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.6 | Very low | 33.4 | Very low | 251 Ų | 251 | 149.5 Ų | 149.5 | 100% | 1.236 | 87% | 0.867 | S | S | * | * | 0 | 89.3 | 0 | -76.6 | 172.5 | 177.3 | 0 | 0 | 107.2 | |||||
| 2 | A | 31.5 | Very low | 33.3 | Very low | 95 Ų | 95 | 151.4 Ų | 151.4 | 79% | 0.785 | 87% | 0.866 | S | S | * | * | trans | -145.3 | 103.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 3 | D | 31.5 | Very low | 33.3 | Very low | 168 Ų | 168 | 153.6 Ų | 153.6 | 90% | 0.898 | 86% | 0.864 | S | S | * | * | trans | -112.6 | 132 | 174.1 | -83.3 | -34.3 | 0 | 0 | 0 | 110.3 | ||||
| 4 | N | 29.6 | Very low | 33.4 | Very low | 150 Ų | 150 | 152.9 Ų | 152.9 | 80% | 0.802 | 86% | 0.855 | S | S | * | * | trans | -94.4 | 116.7 | -168 | -158.1 | -0.8 | 0 | 0 | 0 | 107.3 | M6 | N4-M6 PolarHBondContact O-N 3.08Š| ||
| 5 | I | 35.5 | Very low | 33.3 | Very low | 162 Ų | 162 | 149.9 Ų | 149.9 | 83% | 0.831 | 84% | 0.844 | S | S | * | * | trans | -87.9 | 99.4 | 178.7 | -62.6 | 179.3 | 0 | 0 | 0 | 108.7 | ||||
| 6 | M | 35.6 | Very low | 33.3 | Very low | 168 Ų | 168 | 150.7 Ų | 150.7 | 83% | 0.828 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 129.5 | 166.6 | -79.3 | -179.5 | 166 | 0 | 0 | 110.7 | N4 K8 | N4-M6 PolarHBondContact O-N 3.08Å; M6-K8 PolarHBondContact O-N 2.78Å |
| 7 | S | 30.5 | Very low | 33.2 | Very low | 126 Ų | 126 | 150.7 Ų | 150.7 | 88% | 0.881 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 123.5 | 171.2 | -72 | 0 | 0 | 0 | 0 | 111.3 | ||
| 8 | K | 34.2 | Very low | 33.3 | Very low | 204 Ų | 204 | 148.1 Ų | 148.1 | 89% | 0.887 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 118.6 | 168.3 | -77.2 | -178.2 | 175.1 | 179 | 0 | 109.3 | M6 | M6-K8 PolarHBondContact O-N 2.78Š|
| 9 | A | 33.3 | Very low | 33.2 | Very low | 93 Ų | 93 | 148.1 Ų | 148.1 | 77% | 0.769 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 127.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | T11 | A9-T11 PolarHBondContact O-N 2.98Š|
| 10 | A | 35 | Very low | 33.5 | Very low | 106 Ų | 106 | 144.9 Ų | 144.9 | 88% | 0.876 | 83% | 0.834 | S | S | * | * | trans | -82.7 | 102.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 11 | T | 34.2 | Very low | 33.2 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 75% | 0.748 | 84% | 0.835 | S | S | * | * | trans | -84.9 | 115.3 | 163.9 | -50.1 | 0 | 0 | 0 | 0 | 107.3 | A9 | A9-T11 PolarHBondContact O-N 2.98Š| ||
| 12 | M | 32 | Very low | 33.5 | Very low | 172 Ų | 172 | 140.5 Ų | 140.5 | 85% | 0.847 | 82% | 0.818 | S | S | * | * | trans | -88.2 | 110.8 | 168.5 | -100.2 | 177.6 | 44.8 | 0 | 0 | 108.9 | ||||
| 13 | E | 33.9 | Very low | 33.5 | Very low | 180 Ų | 180 | 138.8 Ų | 138.8 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 137.7 | 165.8 | -66.7 | -173 | 167.7 | 0 | 0 | 109.8 | ||
| 14 | I | 34.1 | Very low | 33.7 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 74% | 0.738 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 124.9 | 175.3 | -58.2 | 174.3 | 0 | 0 | 0 | 107.6 | ||
| 15 | P | 32 | Very low | 33.9 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 70% | 0.695 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 134.9 | 176 | 27.2 | -25.8 | 0 | 0 | 0 | 110.9 | ||
| 16 | I | 32.5 | Very low | 34 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | trans | -96.5 | 109.1 | 174.6 | -51.6 | 179.5 | 0 | 0 | 0 | 107.8 | ||||
| 17 | N | 32.2 | Very low | 34.3 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 81% | 0.807 | 81% | 0.813 | S | S | * | * | trans | -95 | 116.8 | 169.4 | -75.1 | 18.4 | 0 | 0 | 0 | 109.6 | ||||
| 18 | S | 34.6 | Very low | 35.1 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | -72.8 | 121.9 | 165.8 | 174.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 19 | N | 32.7 | Very low | 35.6 | Very low | 148 Ų | 148 | 132.6 Ų | 132.6 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | 174.1 | 134.1 | 127.4 | -86.7 | -0.2 | 0 | 0 | 0 | 109.7 | |||||
| 20 | G | 37.5 | Very low | 36.5 | Very low | 84 Ų | 84 | 132.3 Ų | 132.3 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | trans | -71.6 | 134.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 21 | D | 27.4 | Very low | 37.1 | Very low | 159 Ų | 159 | 132.2 Ų | 132.2 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | trans | -150.7 | 127.6 | 147.5 | -152.4 | -1.8 | 0 | 0 | 0 | 108.7 | ||||
| 22 | T | 43.9 | Very low | 37.9 | Very low | 145 Ų | 145 | 132 Ų | 132 | 89% | 0.89 | 75% | 0.753 | S | S | * | * | trans | -93.8 | 100.2 | 179.1 | 42.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 23 | G | 31.8 | Very low | 38.8 | Very low | 59 Ų | 59 | 130.2 Ų | 130.2 | 61% | 0.608 | 74% | 0.742 | S | S | * | * | trans | -168.3 | 111.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 24 | T | 35.8 | Very low | 39.4 | Very low | 140 Ų | 140 | 125.9 Ų | 125.9 | 86% | 0.859 | 73% | 0.725 | S | S | * | * | trans | 51.3 | 92.4 | 162 | 51 | 0 | 0 | 0 | 0 | 116.6 | T26 | T24-T26 PolarHBondContact O-N 3.39Å; T24-T26 VanDerWaalsContact O-N 3.14Å | ||
| 25 | L | 33.1 | Very low | 40 | Very low | 174 Ų | 174 | 123 Ų | 123 | 91% | 0.911 | 71% | 0.711 | S | S | * | * | trans | -63.9 | 108.3 | 168.5 | -68.6 | 167.1 | 0 | 0 | 0 | 109.6 | E27 | L25-E27 PolarHBondContact O-N 3.47Š| ||
| 26 | T | 38.6 | Very low | 40.8 | Very low | 136 Ų | 136 | 123.5 Ų | 123.5 | 83% | 0.834 | 70% | 0.704 | S | S | * | * | trans | -65.2 | 121.8 | 160.9 | 42.9 | 0 | 0 | 0 | 0 | 108.4 | T24 D28 | T24-T26 PolarHBondContact O-N 3.39Å; T24-T26 VanDerWaalsContact O-N 3.14Å; T26-D28 PolarHBondContact O-N 3.15Å | ||
| 27 | E | 40.3 | Very low | 41.4 | Very low | 176 Ų | 176 | 121.5 Ų | 121.5 | 82% | 0.822 | 69% | 0.691 | S | S | * | * | trans | -61 | 117.1 | 177.5 | -63.9 | 177.8 | 136.9 | 0 | 0 | 110.4 | L25 D29 | L25-E27 PolarHBondContact O-N 3.47Å; E27-D29 VanDerWaalsContact C-N 3.34Å; E27-D29 PolarHBondContact O-N 3.13Å | ||
| 28 | D | 47.7 | Very low | 42.2 | Very low | 102 Ų | 102 | 118.5 Ų | 118.5 | 55% | 0.545 | 68% | 0.678 | S | S | . | * | trans | 38 | 31.5 | 131.6 | -145.7 | 22.2 | 0 | 0 | 0 | 122.7 | T26 S30 L31 | T26-D28 PolarHBondContact O-N 3.15Å; D28-S30 PolarHBondContact O-N 3.2Å; D28-L31 PolarHBondContact O-N 3.39Å; D28-L31 WeakPolarHBondContact OD1-CB 3.34Å; D28-L31 WeakPolarHBondContact OD1-CD1 3.4Å; D28-L31 WeakPolarHBondContact OD1-CG 3.48Å; D28-L31 WeakPolarHBondContact OD2-CD1 3.34Å | ||
| 29 | D | 45.9 | Very low | 42.7 | Very low | 121 Ų | 121 | 120.5 Ų | 120.5 | 65% | 0.647 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -63.3 | -21 | 173.1 | -75.7 | -28.8 | 0 | 0 | 0 | 113.7 | E27 Q33 | E27-D29 VanDerWaalsContact C-N 3.34Å; E27-D29 PolarHBondContact O-N 3.13Å; D29-Q33 WeakPolarHBondContact O-CB 3.45Å; D29-Q33 PolarHBondContact O-N 3.11Å; D29-Q33 VanDerWaalsContact O-N 3.13Å |
| 30 | S | 51.5 | Low | 43.5 | Very low | 87 Ų | 87 | 119.4 Ų | 119.4 | 61% | 0.608 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -75.2 | -31 | -178.3 | -169.9 | 0 | 0 | 0 | 0 | 112.9 | D28 D34 | D28-S30 PolarHBondContact O-N 3.2Å; S30-D34 PolarHBondContact O-N 3.18Å |
| 31 | L | 47.5 | Very low | 43.8 | Very low | 104 Ų | 104 | 119 Ų | 119 | 55% | 0.545 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -79.7 | -32.6 | 177.5 | -77.2 | 179.7 | 0 | 0 | 0 | 111.6 | D28 D34 L35 | D28-L31 PolarHBondContact O-N 3.39Å; D28-L31 WeakPolarHBondContact OD1-CB 3.34Å; D28-L31 WeakPolarHBondContact OD1-CD1 3.4Å; D28-L31 WeakPolarHBondContact OD1-CG 3.48Å; D28-L31 WeakPolarHBondContact OD2-CD1 3.34Å; L31-D34 PolarHBondContact O-N 3.49Å; L31-L35 WeakPolarHBondContact O-CB 3.39Å; L31-L35 PolarHBondContact O-N 3.41Å |
| 32 | E | 50.2 | Low | 44.5 | Very low | 117 Ų | 117 | 113.6 Ų | 113.6 | 55% | 0.547 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -69.3 | -36.1 | 173.8 | -138.9 | 179.4 | -166.2 | 0 | 0 | 111.6 | L35 Q36 | E32-L35 PolarHBondContact O-N 3.08Å; E32-Q36 WeakPolarHBondContact O-CB 3.31Å; E32-Q36 WeakPolarHBondContact O-CG 3.45Å; E32-Q36 PolarHBondContact O-N 3.07Å |
| 33 | Q | 50.6 | Low | 44.2 | Very low | 134 Ų | 134 | 112.5 Ų | 112.5 | 63% | 0.626 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.6 | -42.7 | 171.5 | -98.9 | 179.6 | 1.2 | 0 | 0 | 113.1 | D29 L35 Q36 Q37 | D29-Q33 WeakPolarHBondContact O-CB 3.45Å; D29-Q33 PolarHBondContact O-N 3.11Å; D29-Q33 VanDerWaalsContact O-N 3.13Å; Q33-L35 VanDerWaalsContact C-N 3.3Å; Q33-L35 PolarHBondContact O-N 3.39Å; Q33-Q36 PolarHBondContact O-N 3.26Å; Q33-Q37 VanDerWaalsContact O-CB 3.24Å; Q33-Q37 WeakPolarHBondContact O-CB 3.24Å; Q33-Q37 PolarHBondContact O-N 3.03Å |
| 34 | D | 46.8 | Very low | 44.6 | Very low | 90 Ų | 90 | 115.8 Ų | 115.8 | 48% | 0.481 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -65.1 | -36.2 | 175.5 | -109.5 | 14.9 | 0 | 0 | 0 | 111.3 | S30 L31 Q37 V38 | S30-D34 PolarHBondContact O-N 3.18Å; L31-D34 PolarHBondContact O-N 3.49Å; D34-Q37 PolarHBondContact O-N 3.48Å; D34-V38 WeakPolarHBondContact O-CB 3.49Å; D34-V38 VanDerWaalsContact O-CG2 3.23Å; D34-V38 WeakPolarHBondContact O-CG2 2.95Å; D34-V38 PolarHBondContact O-N 3.44Å |
| 35 | L | 48 | Very low | 44.8 | Very low | 84 Ų | 84 | 115.3 Ų | 115.3 | 44% | 0.44 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -66.6 | -44.4 | 174.9 | -163.9 | 72.8 | 0 | 0 | 0 | 111.3 | L31 E32 Q33 V38 M39 L347 | L31-L35 WeakPolarHBondContact O-CB 3.39Å; L31-L35 PolarHBondContact O-N 3.41Å; E32-L35 PolarHBondContact O-N 3.08Å; Q33-L35 VanDerWaalsContact C-N 3.3Å; Q33-L35 PolarHBondContact O-N 3.39Å; L35-V38 PolarHBondContact O-N 3.43Å; L35-M39 HydrophobicContact CG-SD 4.15Å; L35-M39 VanDerWaalsContact O-CB 3.29Å; L35-M39 WeakPolarHBondContact O-CB 3.38Å; L35-M39 WeakPolarHBondContact O-CG 3.44Å; L35-M39 PolarHBondContact O-N 2.81Å; L35-L347 HydrophobicContact CD1-CD2 4.14Å |
| 36 | Q | 47.1 | Very low | 45 | Very low | 116 Ų | 116 | 113.6 Ų | 113.6 | 54% | 0.542 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.7 | -38.1 | 173.9 | -74 | 176.3 | 18.8 | 0 | 0 | 111.6 | E32 Q33 M39 V40 | E32-Q36 WeakPolarHBondContact O-CB 3.31Å; E32-Q36 WeakPolarHBondContact O-CG 3.45Å; E32-Q36 PolarHBondContact O-N 3.07Å; Q33-Q36 PolarHBondContact O-N 3.26Å; Q36-M39 PolarHBondContact O-N 3.42Å; Q36-V40 VanDerWaalsContact O-CB 3.26Å; Q36-V40 WeakPolarHBondContact O-CB 3.49Å; Q36-V40 WeakPolarHBondContact O-CG2 3.31Å; Q36-V40 PolarHBondContact O-N 3.29Å |
| 37 | Q | 46.8 | Very low | 44.7 | Very low | 122 Ų | 122 | 116 Ų | 116 | 57% | 0.57 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -70.1 | -35.5 | 179.8 | -168.1 | 167.8 | 14.2 | 0 | 0 | 112.1 | Q33 D34 S41 | Q33-Q37 VanDerWaalsContact O-CB 3.24Å; Q33-Q37 WeakPolarHBondContact O-CB 3.24Å; Q33-Q37 PolarHBondContact O-N 3.03Å; D34-Q37 PolarHBondContact O-N 3.48Å; Q37-S41 WeakPolarHBondContact O-CA 2.96Å; Q37-S41 WeakPolarHBondContact O-CB 3.31Å; Q37-S41 PolarHBondContact O-N 3.09Å; Q37-S41 PolarHBondContact O-OG 3.49Å |
| 38 | V | 47.7 | Very low | 44.3 | Very low | 87 Ų | 87 | 113.9 Ų | 113.9 | 53% | 0.527 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -75 | -32.6 | 173.3 | 173.3 | 0 | 0 | 0 | 0 | 111.9 | D34 L35 S41 | D34-V38 WeakPolarHBondContact O-CB 3.49Å; D34-V38 VanDerWaalsContact O-CG2 3.23Å; D34-V38 WeakPolarHBondContact O-CG2 2.95Å; D34-V38 PolarHBondContact O-N 3.44Å; L35-V38 PolarHBondContact O-N 3.43Å; V38-S41 CarbonylContact O-C 3.4Å |
| 39 | M | 46 | Very low | 43.3 | Very low | 146 Ų | 146 | 114.4 Ų | 114.4 | 72% | 0.719 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -73.6 | -28.6 | 173.3 | -72.2 | 176.2 | 68.7 | 0 | 0 | 113 | L35 Q36 | L35-M39 HydrophobicContact CG-SD 4.15Å; L35-M39 VanDerWaalsContact O-CB 3.29Å; L35-M39 WeakPolarHBondContact O-CB 3.38Å; L35-M39 WeakPolarHBondContact O-CG 3.44Å; L35-M39 PolarHBondContact O-N 2.81Å; Q36-M39 PolarHBondContact O-N 3.42Å |
| 40 | V | 49.1 | Very low | 42.7 | Very low | 125 Ų | 125 | 116.2 Ų | 116.2 | 76% | 0.758 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -85.6 | -27.1 | 174.1 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | Q36 | Q36-V40 VanDerWaalsContact O-CB 3.26Å; Q36-V40 WeakPolarHBondContact O-CB 3.49Å; Q36-V40 WeakPolarHBondContact O-CG2 3.31Å; Q36-V40 PolarHBondContact O-N 3.29Å |
| 41 | S | 43 | Very low | 41.6 | Very low | 76 Ų | 76 | 118.2 Ų | 118.2 | 53% | 0.531 | 65% | 0.652 | S | S | . | * | trans | -109.2 | 59.4 | 178.6 | -42.3 | 0 | 0 | 0 | 0 | 111.2 | Q37 V38 | Q37-S41 WeakPolarHBondContact O-CA 2.96Å; Q37-S41 WeakPolarHBondContact O-CB 3.31Å; Q37-S41 PolarHBondContact O-N 3.09Å; Q37-S41 PolarHBondContact O-OG 3.49Å; V38-S41 CarbonylContact O-C 3.4Å | ||
| 42 | G | 43.1 | Very low | 40.7 | Very low | 44 Ų | 44 | 118.9 Ų | 118.9 | 45% | 0.454 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -56.7 | 154 | 154.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | N44 | G42-N44 PolarHBondContact O-N 3.4Š|
| 43 | P | 37.9 | Very low | 39.5 | Very low | 123 Ų | 123 | 116.9 Ų | 116.9 | 80% | 0.799 | 68% | 0.676 | S | S | * | * | trans | -54.6 | 109.4 | 178.3 | 20.9 | -30.4 | 0 | 0 | 0 | 109.6 | L45 | P43-L45 PolarHBondContact O-N 3.32Å; P43-L45 VanDerWaalsContact O-N 3.07Å | ||
| 44 | N | 39.6 | Very low | 38.4 | Very low | 127 Ų | 127 | 113.9 Ų | 113.9 | 68% | 0.679 | 68% | 0.681 | S | S | * | * | trans | -70.1 | 101.6 | 177.1 | -176.2 | -1.2 | 0 | 0 | 0 | 107.7 | G42 N46 | G42-N44 PolarHBondContact O-N 3.4Å; N44-N46 PolarHBondContact O-N 2.94Å; N44-N46 WeakPolarHBondContact OD1-CB 3.41Å; N44-N46 PolarHBondContact OD1-N 2.95Å | ||
| 45 | L | 39.9 | Very low | 37.7 | Very low | 131 Ų | 131 | 121.5 Ų | 121.5 | 69% | 0.686 | 71% | 0.705 | S | S | * | * | trans | -83.5 | 14 | 175.4 | -69 | 175.3 | 0 | 0 | 0 | 112.7 | P43 E47 | P43-L45 PolarHBondContact O-N 3.32Å; P43-L45 VanDerWaalsContact O-N 3.07Å; L45-E47 VanDerWaalsContact C-N 3.32Å; L45-E47 PolarHBondContact O-N 3.39Å | ||
| 46 | N | 38.5 | Very low | 36.7 | Very low | 138 Ų | 138 | 121.3 Ų | 121.3 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | trans | -92.3 | 48.4 | -176.6 | -56 | -3.9 | 0 | 0 | 0 | 112.9 | N44 | N44-N46 PolarHBondContact O-N 2.94Å; N44-N46 WeakPolarHBondContact OD1-CB 3.41Å; N44-N46 PolarHBondContact OD1-N 2.95Å | ||
| 47 | E | 31.2 | Very low | 35.9 | Very low | 187 Ų | 187 | 119.5 Ų | 119.5 | 87% | 0.874 | 74% | 0.736 | S | S | * | * | trans | -139.7 | 69.1 | 159.5 | -79.6 | -163 | 159.5 | 0 | 0 | 110.7 | L45 | L45-E47 VanDerWaalsContact C-N 3.32Å; L45-E47 PolarHBondContact O-N 3.39Å | ||
| 48 | T | 31.5 | Very low | 35.6 | Very low | 131 Ų | 131 | 120.1 Ų | 120.1 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | -122.4 | 83.7 | 147.4 | 31 | 0 | 0 | 0 | 0 | 107.6 | I50 | T48-I50 PolarHBondContact O-N 3.07Š| ||
| 49 | S | 27.7 | Very low | 35.1 | Very low | 113 Ų | 113 | 121 Ų | 121 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -65.2 | 100 | 167.5 | 152.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 50 | I | 32.7 | Very low | 34.3 | Very low | 158 Ų | 158 | 118.1 Ų | 118.1 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | -114.9 | 111.9 | 151.3 | -55.5 | -172.4 | 0 | 0 | 0 | 106.8 | T48 S52 | T48-I50 PolarHBondContact O-N 3.07Å; I50-S52 PolarHBondContact O-N 2.9Å | ||
| 51 | V | 28.7 | Very low | 33.3 | Very low | 129 Ų | 129 | 115.6 Ų | 115.6 | 78% | 0.782 | 77% | 0.774 | S | S | * | * | trans | -62 | 122.4 | 172.9 | 163.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 52 | S | 28.5 | Very low | 33 | Very low | 119 Ų | 119 | 120 Ų | 120 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -156.5 | 113 | 147 | -140.4 | 0 | 0 | 0 | 0 | 112.4 | I50 | I50-S52 PolarHBondContact O-N 2.9Š| ||
| 53 | G | 26.1 | Very low | 32.6 | Very low | 74 Ų | 74 | 125.1 Ų | 125.1 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | trans | 34.2 | 107 | 152.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 54 | G | 26.3 | Very low | 32.3 | Very low | 71 Ų | 71 | 124.1 Ų | 124.1 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | 65.7 | 110.4 | 120.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 55 | Y | 31.6 | Very low | 32.1 | Very low | 251 Ų | 251 | 125.4 Ų | 125.4 | 98% | 0.984 | 81% | 0.811 | S | S | * | * | 175.2 | 140.2 | 113.2 | -96.7 | -76.6 | 0 | 0 | 0 | 108.4 | |||||
| 56 | G | 28.4 | Very low | 31.7 | Very low | 80 Ų | 80 | 124.2 Ų | 124.2 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -96.9 | 153.4 | -157 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 57 | G | 30.1 | Very low | 31.8 | Very low | 77 Ų | 77 | 123.5 Ų | 123.5 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | trans | 91.6 | 156.7 | 144 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 58 | P | 40.5 | Very low | 31.9 | Very low | 135 Ų | 135 | 122.5 Ų | 122.5 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | cis | -121.9 | 174.2 | -33.5 | 37.1 | -21.1 | 0 | 0 | 0 | 113.4 | ||||
| 59 | A | 36 | Very low | 32.2 | Very low | 106 Ų | 106 | 126.2 Ų | 126.2 | 88% | 0.876 | 82% | 0.824 | S | S | * | * | trans | -69.2 | 153.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 60 | G | 30.4 | Very low | 32.6 | Very low | 85 Ų | 85 | 123.4 Ų | 123.4 | 88% | 0.876 | 81% | 0.813 | S | S | * | * | trans | 135.4 | 117 | 153.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 61 | G | 28.6 | Very low | 32.7 | Very low | 72 Ų | 72 | 122.3 Ų | 122.3 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | 155.2 | 81.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | I63 | G61-I63 PolarHBondContact O-N 3.28Š| ||
| 62 | I | 35.4 | Very low | 33.1 | Very low | 170 Ų | 170 | 119.7 Ų | 119.7 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 121.4 | 158.4 | -62 | 166.4 | 0 | 0 | 0 | 106.7 | ||
| 63 | I | 35.7 | Very low | 33.5 | Very low | 151 Ų | 151 | 120.8 Ų | 120.8 | 77% | 0.774 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -102 | 123.1 | 171.6 | -55.7 | -174.4 | 0 | 0 | 0 | 108.8 | G61 | G61-I63 PolarHBondContact O-N 3.28Š|
| 64 | P | 31.1 | Very low | 34 | Very low | 102 Ų | 102 | 128.7 Ų | 128.7 | 66% | 0.662 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 138.6 | 175.2 | -7.2 | 21.9 | 0 | 0 | 0 | 110.9 | S66 | P64-S66 PolarHBondContact O-N 3.33Š|
| 65 | T | 34.3 | Very low | 34.3 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 95% | 0.945 | 83% | 0.828 | S | S | * | * | trans | -66.5 | 94.1 | 169 | 43.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 66 | S | 31.9 | Very low | 34.4 | Very low | 105 Ų | 105 | 129 Ų | 129 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | trans | -98.2 | 131.4 | 166.5 | 56.6 | 0 | 0 | 0 | 0 | 110.5 | P64 I68 | P64-S66 PolarHBondContact O-N 3.33Å; S66-I68 PolarHBondContact O-N 3.17Å | ||
| 67 | S | 40.5 | Very low | 34.9 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -28.7 | 109.6 | 178.1 | -60 | 0 | 0 | 0 | 0 | 115.8 | K69 | S67-K69 PolarHBondContact O-N 3.36Š| ||
| 68 | I | 34.6 | Very low | 35.2 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | trans | -76.2 | 108.5 | 164.1 | -67.3 | 171.4 | 0 | 0 | 0 | 108.2 | S66 G70 | S66-I68 PolarHBondContact O-N 3.17Å; I68-G70 PolarHBondContact O-N 3.15Å | ||
| 69 | K | 38.1 | Very low | 35 | Very low | 209 Ų | 209 | 138.4 Ų | 138.4 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -70.9 | 105.8 | 164.9 | -90.9 | 178.2 | 173.1 | 175.1 | 0 | 109 | S67 | S67-K69 PolarHBondContact O-N 3.36Š| ||
| 70 | G | 34.5 | Very low | 35.1 | Very low | 54 Ų | 54 | 141.3 Ų | 141.3 | 56% | 0.557 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 161.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I68 G72 | I68-G70 PolarHBondContact O-N 3.15Å; G70-G72 PolarHBondContact O-N 3.44Å |
| 71 | P | 36.4 | Very low | 35.4 | Very low | 134 Ų | 134 | 144.7 Ų | 144.7 | 87% | 0.87 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 132.4 | 174.4 | 11 | -1.9 | 0 | 0 | 0 | 110.3 | V73 | P71-V73 PolarHBondContact O-N 3.19Š|
| 72 | G | 37.1 | Very low | 35.9 | Very low | 75 Ų | 75 | 153.5 Ų | 153.5 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 126.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G70 R74 | G70-G72 PolarHBondContact O-N 3.44Å; G72-R74 PolarHBondContact O-N 3.44Å |
| 73 | V | 35.3 | Very low | 35.8 | Very low | 141 Ų | 141 | 149.3 Ų | 149.3 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -64.4 | 111.1 | 170.2 | 178.8 | 0 | 0 | 0 | 0 | 108.5 | P71 | P71-V73 PolarHBondContact O-N 3.19Š| ||
| 74 | R | 37 | Very low | 35.7 | Very low | 241 Ų | 241 | 154.1 Ų | 154.1 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | trans | -78.3 | 124.1 | 166.9 | -73.5 | -155 | 175.2 | -143.1 | 1.5 | 109.4 | G72 | G72-R74 PolarHBondContact O-N 3.44Š| ||
| 75 | Y | 33.6 | Very low | 35.6 | Very low | 216 Ų | 216 | 153.6 Ų | 153.6 | 85% | 0.847 | 82% | 0.821 | S | S | * | * | trans | -69.8 | 126.9 | 176.7 | -151.4 | -96.9 | 0 | 0 | 0 | 109.9 | ||||
| 76 | N | 33.8 | Very low | 36 | Very low | 112 Ų | 112 | 152 Ų | 152 | 60% | 0.599 | 81% | 0.813 | S | S | * | * | trans | -101.3 | 114.2 | 175.3 | -165 | 6.7 | 0 | 0 | 0 | 109.3 | E78 | N76-E78 PolarHBondContact O-N 2.91Š| ||
| 77 | P | 38 | Very low | 36.3 | Very low | 98 Ų | 98 | 151.6 Ų | 151.6 | 64% | 0.636 | 82% | 0.816 | S | S | * | * | trans | -84.3 | 3.1 | -169.1 | 23.3 | -17.8 | 0 | 0 | 0 | 115.9 | Y79 | P77-Y79 PolarHBondContact O-N 2.85Š| ||
| 78 | E | 37.3 | Very low | 36.2 | Very low | 170 Ų | 170 | 152 Ų | 152 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | 14.6 | -171.2 | -68.3 | -167.1 | 159.7 | 0 | 0 | 116.4 | N76 | N76-E78 PolarHBondContact O-N 2.91Š|
| 79 | Y | 35.7 | Very low | 36 | Very low | 222 Ų | 222 | 147.5 Ų | 147.5 | 87% | 0.871 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | 17.2 | 179.9 | -98.3 | -82.1 | 0 | 0 | 0 | 115.6 | P77 | P77-Y79 PolarHBondContact O-N 2.85Š|
| 80 | L | 37.3 | Very low | 35.8 | Very low | 167 Ų | 167 | 145.8 Ų | 145.8 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -107.3 | 4.6 | 179.7 | -82.9 | 170.3 | 0 | 0 | 0 | 115.8 | ||
| 81 | D | 37.7 | Very low | 35.6 | Very low | 156 Ų | 156 | 151 Ų | 151 | 83% | 0.834 | 83% | 0.826 | S | S | * | * | trans | -130.9 | 68 | -175.1 | -148.7 | 12.4 | 0 | 0 | 0 | 113.6 | ||||
| 82 | R | 37.7 | Very low | 35.6 | Very low | 257 Ų | 257 | 151.9 Ų | 151.9 | 97% | 0.97 | 82% | 0.822 | S | S | * | * | trans | -159.5 | 89.9 | 155.1 | -118.3 | 177.4 | -160.6 | -117.3 | 3 | 111.5 | ||||
| 83 | G | 33.5 | Very low | 35.3 | Very low | 81 Ų | 81 | 158.8 Ų | 158.8 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | trans | -169.2 | 47.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 84 | R | 33.3 | Very low | 35.3 | Very low | 252 Ų | 252 | 160.4 Ų | 160.4 | 95% | 0.951 | 83% | 0.825 | S | S | * | * | trans | -144.3 | 111.6 | 171.3 | -158.2 | 176.7 | -133.2 | -117.2 | 2.5 | 113.1 | ||||
| 85 | A | 30.2 | Very low | 35 | Very low | 91 Ų | 91 | 157.9 Ų | 157.9 | 75% | 0.752 | 82% | 0.82 | S | S | * | * | trans | 152.9 | 160 | 137.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 86 | P | 41.9 | Very low | 35 | Very low | 120 Ų | 120 | 153 Ų | 153 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | cis | -128.4 | 169.8 | -44.8 | 35.1 | -19.1 | 0 | 0 | 0 | 112.2 | ||||
| 87 | A | 39.7 | Very low | 34.9 | Very low | 98 Ų | 98 | 159.6 Ų | 159.6 | 81% | 0.81 | 84% | 0.835 | S | S | * | * | trans | -79.2 | 153 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 88 | P | 38.1 | Very low | 34.5 | Very low | 130 Ų | 130 | 158.2 Ų | 158.2 | 84% | 0.844 | 84% | 0.839 | S | S | * | * | trans | -120.3 | 130.3 | 139.5 | 29.1 | -14.7 | 0 | 0 | 0 | 108.4 | ||||
| 89 | G | 30.3 | Very low | 34.4 | Very low | 74 Ų | 74 | 156.6 Ų | 156.6 | 76% | 0.763 | 84% | 0.84 | S | S | * | * | 120.6 | 116.3 | 59.5 | 0 | 0 | 0 | 0 | 0 | 106.3 | |||||
| 90 | L | 33.7 | Very low | 34.2 | Very low | 173 Ų | 173 | 153.8 Ų | 153.8 | 91% | 0.906 | 84% | 0.84 | S | S | * | * | trans | -59.9 | 133.2 | -178.6 | -78.7 | 146.8 | 0 | 0 | 0 | 111.5 | ||||
| 91 | D | 30.4 | Very low | 34.1 | Very low | 163 Ų | 163 | 152.8 Ų | 152.8 | 87% | 0.872 | 84% | 0.835 | S | S | * | * | trans | -135 | 117 | 158.7 | -121.5 | -21 | 0 | 0 | 0 | 110.8 | ||||
| 92 | I | 36.5 | Very low | 34.3 | Very low | 153 Ų | 153 | 150.8 Ų | 150.8 | 79% | 0.785 | 83% | 0.83 | S | S | * | * | trans | -81.9 | 116 | 177.1 | -67 | 171.2 | 0 | 0 | 0 | 107.2 | ||||
| 93 | R | 29.5 | Very low | 34 | Very low | 219 Ų | 219 | 149 Ų | 149 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | trans | -144.9 | 106 | 162 | -162.3 | 164.9 | -171.8 | 173.3 | 3.9 | 112.5 | K95 | R93-K95 PolarHBondContact O-N 3.42Š| ||
| 94 | M | 36.1 | Very low | 34.1 | Very low | 175 Ų | 175 | 150.6 Ų | 150.6 | 86% | 0.862 | 82% | 0.824 | S | S | * | * | trans | -54.2 | 130.5 | 164.8 | -80.5 | -179.6 | 133 | 0 | 0 | 111.1 | ||||
| 95 | K | 30.1 | Very low | 34.1 | Very low | 188 Ų | 188 | 146.3 Ų | 146.3 | 82% | 0.817 | 82% | 0.819 | S | S | * | * | trans | -148.8 | 100.5 | 155.7 | -117.4 | 171.7 | 179 | 179.3 | 0 | 109.5 | R93 | R93-K95 PolarHBondContact O-N 3.42Š| ||
| 96 | S | 34.3 | Very low | 34.4 | Very low | 115 Ų | 115 | 146.7 Ų | 146.7 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | -56.4 | 129 | 165.1 | -52.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 97 | R | 31.9 | Very low | 34.1 | Very low | 249 Ų | 249 | 146.7 Ų | 146.7 | 94% | 0.94 | 83% | 0.825 | S | S | * | * | trans | -166 | 121.4 | 155.1 | -110 | 171 | -169.2 | -148.8 | 1.1 | 111.5 | ||||
| 98 | G | 30.2 | Very low | 33.7 | Very low | 70 Ų | 70 | 146.5 Ų | 146.5 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | trans | 78.8 | 90.5 | 137.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | N100 | G98-N100 PolarHBondContact O-N 3.41Š| ||
| 99 | V | 34.5 | Very low | 33.9 | Very low | 135 Ų | 135 | 146 Ų | 146 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -58.3 | 115.8 | 155.7 | 174.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 100 | N | 30.8 | Very low | 34.2 | Very low | 163 Ų | 163 | 154.2 Ų | 154.2 | 87% | 0.872 | 83% | 0.831 | S | S | * | * | trans | -112.2 | 102.1 | 164.2 | -88.3 | -15.5 | 0 | 0 | 0 | 108.5 | G98 | G98-N100 PolarHBondContact O-N 3.41Š| ||
| 101 | L | 36.8 | Very low | 34.2 | Very low | 146 Ų | 146 | 154.7 Ų | 154.7 | 76% | 0.764 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 132.7 | 171.3 | -160.5 | 75.1 | 0 | 0 | 0 | 108.1 | Y103 | L101-Y103 PolarHBondContact O-N 3.29Š|
| 102 | P | 40.8 | Very low | 34.4 | Very low | 115 Ų | 115 | 151.5 Ų | 151.5 | 75% | 0.747 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 122.1 | 175.4 | 24.8 | -26.8 | 0 | 0 | 0 | 110.4 | ||
| 103 | Y | 32.2 | Very low | 34.4 | Very low | 220 Ų | 220 | 152.7 Ų | 152.7 | 86% | 0.863 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 129.5 | 171.3 | -109.9 | -102.7 | 0 | 0 | 0 | 110.4 | L101 N105 | L101-Y103 PolarHBondContact O-N 3.29Å; Y103-N105 PolarHBondContact O-N 3.06Å |
| 104 | S | 35.3 | Very low | 34.6 | Very low | 114 Ų | 114 | 151.4 Ų | 151.4 | 80% | 0.797 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 116.5 | 169.3 | -50.5 | 0 | 0 | 0 | 0 | 109.9 | A106 | S104-A106 PolarHBondContact O-N 2.9Š|
| 105 | N | 33.5 | Very low | 34.4 | Very low | 162 Ų | 162 | 148.6 Ų | 148.6 | 87% | 0.866 | 83% | 0.828 | S | S | * | * | trans | -72.5 | 108.1 | 170.4 | -85.1 | -19.2 | 0 | 0 | 0 | 109.6 | Y103 | Y103-N105 PolarHBondContact O-N 3.06Š| ||
| 106 | A | 36.3 | Very low | 34.5 | Very low | 98 Ų | 98 | 146.4 Ų | 146.4 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | trans | -81.5 | 115.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | S104 A108 | S104-A106 PolarHBondContact O-N 2.9Å; A106-A108 PolarHBondContact O-N 3.14Å | ||
| 107 | S | 35.6 | Very low | 34.3 | Very low | 121 Ų | 121 | 150 Ų | 150 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | trans | -82 | 95.5 | 169.7 | 14.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 108 | A | 32 | Very low | 34.6 | Very low | 93 Ų | 93 | 147 Ų | 147 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | trans | -102.8 | 104.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | A106 | A106-A108 PolarHBondContact O-N 3.14Š| ||
| 109 | S | 40.8 | Very low | 35.7 | Very low | 120 Ų | 120 | 149.8 Ų | 149.8 | 84% | 0.839 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 137.2 | 178.5 | -67.8 | 0 | 0 | 0 | 0 | 111.8 | ||
| 110 | R | 38 | Very low | 35.5 | Very low | 247 Ų | 247 | 146.7 Ų | 146.7 | 93% | 0.932 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 126.1 | 175.6 | -63.4 | 177.8 | 179.6 | -169.3 | -1.2 | 110.1 | ||
| 111 | L | 33.6 | Very low | 35.6 | Very low | 182 Ų | 182 | 144.1 Ų | 144.1 | 95% | 0.953 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 120.9 | 164.2 | -85.7 | 156.1 | 0 | 0 | 0 | 108.6 | ||
| 112 | A | 34.8 | Very low | 35.5 | Very low | 96 Ų | 96 | 144.6 Ų | 144.6 | 79% | 0.793 | 82% | 0.823 | S | S | * | * | trans | -124.7 | 133.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 113 | H | 35.4 | Very low | 35.8 | Very low | 178 Ų | 178 | 147 Ų | 147 | 82% | 0.824 | 83% | 0.83 | S | S | * | * | trans | -58.6 | 146.1 | -176.8 | -68.4 | -58.8 | 0 | 0 | 0 | 114.7 | ||||
| 114 | H | 33.5 | Very low | 36.2 | Very low | 193 Ų | 193 | 144.7 Ų | 144.7 | 89% | 0.894 | 83% | 0.827 | S | S | * | * | trans | -146.5 | 149.6 | 133.1 | -93.5 | -71.1 | 0 | 0 | 0 | 111.2 | ||||
| 115 | T | 32.2 | Very low | 36.6 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 71% | 0.712 | 82% | 0.821 | S | S | * | * | trans | -86.5 | 163.1 | -159.2 | 35.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 116 | N | 32 | Very low | 37.2 | Very low | 141 Ų | 141 | 142.5 Ų | 142.5 | 75% | 0.754 | 81% | 0.81 | S | S | * | * | trans | 90.4 | 105.7 | 142.5 | -95.6 | 6.5 | 0 | 0 | 0 | 120.5 | ||||
| 117 | Q | 30.7 | Very low | 38 | Very low | 190 Ų | 190 | 143.5 Ų | 143.5 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | 171.8 | 133 | 100.6 | -91.4 | 168.4 | 65.8 | 0 | 0 | 112.7 | |||||
| 118 | H | 37 | Very low | 38.9 | Very low | 187 Ų | 187 | 141.3 Ų | 141.3 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | trans | -91.6 | 179.4 | 166.5 | -87.9 | -56.8 | 0 | 0 | 0 | 110.2 | ||||
| 119 | P | 53.9 | Low | 40 | Very low | 128 Ų | 128 | 141.3 Ų | 141.3 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | cis | -135.9 | 172.5 | 3.8 | 28.4 | -5 | 0 | 0 | 0 | 115.4 | ||||
| 120 | G | 29.9 | Very low | 40.6 | Very low | 71 Ų | 71 | 142 Ų | 142 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | trans | 169.6 | 77 | 165.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 121 | S | 33.7 | Very low | 41.4 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | 44.2 | 144.7 | 137.8 | -150.3 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 122 | L | 34.5 | Very low | 42.8 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 82% | 0.817 | 74% | 0.739 | S | S | * | * | trans | 91.9 | 111.6 | 159.1 | -69.3 | 112.8 | 0 | 0 | 0 | 119.3 | H124 | L122-H124 PolarHBondContact O-N 3.44Š| ||
| 123 | N | 47.2 | Very low | 44.1 | Very low | 166 Ų | 166 | 132.6 Ų | 132.6 | 89% | 0.888 | 73% | 0.727 | S | S | * | * | trans | -29.1 | 120.2 | 157.5 | -71.5 | -17.5 | 0 | 0 | 0 | 114 | ||||
| 124 | H | 39.8 | Very low | 45.5 | Very low | 172 Ų | 172 | 133.3 Ų | 133.3 | 80% | 0.796 | 72% | 0.723 | S | S | * | * | trans | -153.2 | 130.9 | 150.9 | -141 | -65.7 | 0 | 0 | 0 | 111.2 | L122 | L122-H124 PolarHBondContact O-N 3.44Š| ||
| 125 | N | 44.8 | Very low | 47.3 | Very low | 128 Ų | 128 | 125.7 Ų | 125.7 | 68% | 0.684 | 70% | 0.697 | S | S | * | * | trans | -2.3 | 114.1 | 172.4 | -77.3 | 2.5 | 0 | 0 | 0 | 118.8 | ||||
| 126 | T | 46.5 | Very low | 49.4 | Very low | 101 Ų | 101 | 123.1 Ų | 123.1 | 62% | 0.62 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -87.2 | 3.9 | 175.9 | 43.7 | 0 | 0 | 0 | 0 | 115.7 | ||
| 127 | N | 52.7 | Low | 51.5 | Low | 120 Ų | 120 | 119.2 Ų | 119.2 | 64% | 0.642 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -87.8 | -22.7 | -172.9 | -76 | 11.8 | 0 | 0 | 0 | 115 | ||
| 128 | S | 53.5 | Low | 53.9 | Low | 75 Ų | 75 | 113.7 Ų | 113.7 | 52% | 0.524 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -87.9 | -26.7 | -172.2 | 46.3 | 0 | 0 | 0 | 0 | 114.6 | V132 | S128-V132 VanDerWaalsContact O-CG2 3.28Å; S128-V132 WeakPolarHBondContact O-CG2 3.45Å; S128-V132 PolarHBondContact O-N 3.08Å |
| 129 | T | 55.3 | Low | 56.2 | Low | 93 Ų | 93 | 111 Ų | 111 | 57% | 0.571 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -81.9 | -30 | 178.7 | 43.7 | 0 | 0 | 0 | 0 | 112.6 | S133 | T129-S133 VanDerWaalsContact O-CB 3.28Å; T129-S133 WeakPolarHBondContact O-CB 3.46Å; T129-S133 PolarHBondContact O-N 3.25Å; T129-S133 VanDerWaalsContact O-N 3.1Å; T129-S133 PolarHBondContact O-OG 3.03Å |
| 130 | E | 53.2 | Low | 57.7 | Low | 133 Ų | 133 | 111.6 Ų | 111.6 | 62% | 0.621 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -72.6 | -40.9 | 174.4 | -69.5 | -170.5 | 169 | 0 | 0 | 112.1 | S133 R134 | E130-S133 PolarHBondContact O-N 2.87Å; E130-R134 WeakPolarHBondContact O-CB 3.33Å; E130-R134 PolarHBondContact O-N 2.9Å |
| 131 | E | 54.8 | Low | 60.5 | Low | 148 Ų | 148 | 113.8 Ų | 113.8 | 69% | 0.692 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65.7 | -41.7 | 177.1 | -77.4 | -169.9 | 159.8 | 0 | 0 | 112.7 | R134 G135 | E131-R134 PolarHBondContact O-N 2.69Å; E131-G135 PolarHBondContact O-N 3.39Å |
| 132 | V | 63.1 | Low | 63.1 | Low | 102 Ų | 102 | 112.9 Ų | 112.9 | 62% | 0.618 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.4 | -43.1 | 174.8 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | S128 R134 G135 V136 | S128-V132 VanDerWaalsContact O-CG2 3.28Å; S128-V132 WeakPolarHBondContact O-CG2 3.45Å; S128-V132 PolarHBondContact O-N 3.08Å; V132-R134 VanDerWaalsContact C-N 3.32Å; V132-R134 PolarHBondContact O-N 3.46Å; V132-G135 PolarHBondContact O-N 2.94Å; V132-V136 VanDerWaalsContact O-CG2 3.31Å; V132-V136 WeakPolarHBondContact O-CG2 3.33Å; V132-V136 PolarHBondContact O-N 3.21Å |
| 133 | S | 61.3 | Low | 65.7 | Low | 78 Ų | 78 | 109.2 Ų | 109.2 | 55% | 0.545 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.9 | -35 | 176.9 | -60.4 | 0 | 0 | 0 | 0 | 112.5 | T129 E130 A137 | T129-S133 VanDerWaalsContact O-CB 3.28Å; T129-S133 WeakPolarHBondContact O-CB 3.46Å; T129-S133 PolarHBondContact O-N 3.25Å; T129-S133 VanDerWaalsContact O-N 3.1Å; T129-S133 PolarHBondContact O-OG 3.03Å; E130-S133 PolarHBondContact O-N 2.87Å; S133-A137 WeakPolarHBondContact O-CB 3.36Å; S133-A137 PolarHBondContact O-N 3.21Å |
| 134 | R | 64.8 | Low | 67.8 | Low | 194 Ų | 194 | 105.7 Ų | 105.7 | 73% | 0.732 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -71.9 | -38.9 | 175.7 | -167.1 | 174.8 | -175.3 | 164.2 | 0.6 | 111.5 | E130 E131 V132 A137 V138 | E130-R134 WeakPolarHBondContact O-CB 3.33Å; E130-R134 PolarHBondContact O-N 2.9Å; E131-R134 PolarHBondContact O-N 2.69Å; V132-R134 VanDerWaalsContact C-N 3.32Å; V132-R134 PolarHBondContact O-N 3.46Å; R134-A137 PolarHBondContact O-N 2.92Å; R134-V138 VanDerWaalsContact O-CG2 3.27Å; R134-V138 WeakPolarHBondContact O-CG2 3.44Å; R134-V138 PolarHBondContact O-N 3.4Å |
| 135 | G | 72.6 | Confident | 70.3 | Confident | 33 Ų | 33 | 104.1 Ų | 104.1 | 34% | 0.34 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.2 | -47.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E131 V132 A137 V138 E139 | E131-G135 PolarHBondContact O-N 3.39Å; V132-G135 PolarHBondContact O-N 2.94Å; G135-A137 VanDerWaalsContact C-N 3.32Å; G135-A137 PolarHBondContact O-N 3.34Å; G135-V138 PolarHBondContact O-N 3.04Å; G135-E139 WeakPolarHBondContact O-CG 3.5Å; G135-E139 PolarHBondContact O-N 3.3Å |
| 136 | V | 75.5 | Confident | 72.5 | Confident | 62 Ų | 62 | 103 Ų | 103 | 38% | 0.376 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.5 | -37.8 | 175.6 | 173 | 0 | 0 | 0 | 0 | 112 | V132 K140 | V132-V136 VanDerWaalsContact O-CG2 3.31Å; V132-V136 WeakPolarHBondContact O-CG2 3.33Å; V132-V136 PolarHBondContact O-N 3.21Å; V136-K140 HydrophobicContact CG1-CD 4.27Å; V136-K140 WeakPolarHBondContact O-CB 3.06Å; V136-K140 VanDerWaalsContact O-CG 3.27Å; V136-K140 WeakPolarHBondContact O-CG 3.47Å; V136-K140 PolarHBondContact O-N 3.46Å; V136-K140 VanDerWaalsContact O-N 3.11Å |
| 137 | A | 77.1 | Confident | 74.6 | Confident | 58 Ų | 58 | 106.5 Ų | 106.5 | 48% | 0.479 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.3 | -38 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S133 R134 G135 L141 | S133-A137 WeakPolarHBondContact O-CB 3.36Å; S133-A137 PolarHBondContact O-N 3.21Å; R134-A137 PolarHBondContact O-N 2.92Å; G135-A137 VanDerWaalsContact C-N 3.32Å; G135-A137 PolarHBondContact O-N 3.34Å; A137-L141 WeakPolarHBondContact O-CB 3.45Å; A137-L141 PolarHBondContact O-N 2.73Å |
| 138 | V | 81 | Confident | 76.7 | Confident | 75 Ų | 75 | 102.3 Ų | 102.3 | 46% | 0.455 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.2 | -46.2 | 176.7 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | R134 G135 K140 L141 D142 | R134-V138 VanDerWaalsContact O-CG2 3.27Å; R134-V138 WeakPolarHBondContact O-CG2 3.44Å; R134-V138 PolarHBondContact O-N 3.4Å; G135-V138 PolarHBondContact O-N 3.04Å; V138-K140 VanDerWaalsContact C-N 3.29Å; V138-K140 PolarHBondContact O-N 3.5Å; V138-L141 WeakPolarHBondContact O-CB 3.4Å; V138-L141 PolarHBondContact O-N 3.33Å; V138-L141 VanDerWaalsContact O-N 3.08Å; V138-D142 PolarHBondContact O-N 2.72Å |
| 139 | E | 83.9 | Confident | 78.6 | Confident | 130 Ų | 130 | 102.4 Ų | 102.4 | 61% | 0.607 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.1 | -38.9 | 176.2 | -72.6 | 176 | 178.1 | 0 | 0 | 112.6 | G135 D142 S143 | G135-E139 WeakPolarHBondContact O-CG 3.5Å; G135-E139 PolarHBondContact O-N 3.3Å; E139-D142 PolarHBondContact O-N 3.29Å; E139-S143 WeakPolarHBondContact O-CB 3.2Å; E139-S143 PolarHBondContact O-N 3.28Å; E139-S143 PolarHBondContact O-OG 2.99Å |
| 140 | K | 85.6 | Confident | 80.4 | Confident | 140 Ų | 140 | 99.2 Ų | 99.2 | 61% | 0.609 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.8 | -42.7 | 173.8 | -76.6 | 178.6 | 179 | -177.4 | 0 | 111.7 | V136 V138 S143 V144 | V136-K140 HydrophobicContact CG1-CD 4.27Å; V136-K140 WeakPolarHBondContact O-CB 3.06Å; V136-K140 VanDerWaalsContact O-CG 3.27Å; V136-K140 WeakPolarHBondContact O-CG 3.47Å; V136-K140 PolarHBondContact O-N 3.46Å; V136-K140 VanDerWaalsContact O-N 3.11Å; V138-K140 VanDerWaalsContact C-N 3.29Å; V138-K140 PolarHBondContact O-N 3.5Å; K140-S143 WeakPolarHBondContact O-CB 3.33Å; K140-S143 PolarHBondContact O-N 3.09Å; K140-V144 WeakPolarHBondContact O-CG2 3.41Å; K140-V144 PolarHBondContact O-N 3.33Å |
| 141 | L | 89.8 | Confident | 82.4 | Confident | 117 Ų | 117 | 95.4 Ų | 95.4 | 61% | 0.613 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.4 | -44 | 176.7 | -179.7 | 63.6 | 0 | 0 | 0 | 111.3 | A137 V138 S143 V144 K145 | A137-L141 WeakPolarHBondContact O-CB 3.45Å; A137-L141 PolarHBondContact O-N 2.73Å; V138-L141 WeakPolarHBondContact O-CB 3.4Å; V138-L141 PolarHBondContact O-N 3.33Å; V138-L141 VanDerWaalsContact O-N 3.08Å; L141-S143 VanDerWaalsContact C-N 3.33Å; L141-S143 PolarHBondContact O-N 3.32Å; L141-V144 PolarHBondContact O-N 3.28Å; L141-K145 WeakPolarHBondContact O-CB 3.34Å; L141-K145 PolarHBondContact O-N 2.97Å |
| 142 | D | 88.1 | Confident | 84.4 | Confident | 89 Ų | 89 | 95.8 Ų | 95.8 | 48% | 0.476 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.9 | -38.2 | 176.9 | -75.4 | -27.3 | 0 | 0 | 0 | 112 | V138 E139 K145 K146 | V138-D142 PolarHBondContact O-N 2.72Å; E139-D142 PolarHBondContact O-N 3.29Å; D142-K145 PolarHBondContact O-N 3.38Å; D142-K146 WeakPolarHBondContact O-CB 3.31Å; D142-K146 PolarHBondContact O-N 3.26Å |
| 143 | S | 88.1 | Confident | 85.9 | Confident | 79 Ų | 79 | 92.5 Ų | 92.5 | 55% | 0.552 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.8 | -44.7 | 173.5 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | E139 K140 L141 K145 K146 W147 | E139-S143 WeakPolarHBondContact O-CB 3.2Å; E139-S143 PolarHBondContact O-N 3.28Å; E139-S143 PolarHBondContact O-OG 2.99Å; K140-S143 WeakPolarHBondContact O-CB 3.33Å; K140-S143 PolarHBondContact O-N 3.09Å; L141-S143 VanDerWaalsContact C-N 3.33Å; L141-S143 PolarHBondContact O-N 3.32Å; S143-K145 VanDerWaalsContact C-N 3.34Å; S143-K145 PolarHBondContact O-N 3.27Å; S143-K146 PolarHBondContact O-N 3.5Å; S143-W147 VanDerWaalsContact O-CB 3.28Å; S143-W147 WeakPolarHBondContact O-CB 3.48Å; S143-W147 PolarHBondContact O-N 3.14Å |
| 144 | V | 92.3 | Very high | 87.5 | Confident | 93 Ų | 93 | 89.3 Ų | 89.3 | 56% | 0.564 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -64 | -40.6 | 176.2 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | K140 L141 W147 G148 | K140-V144 WeakPolarHBondContact O-CG2 3.41Å; K140-V144 PolarHBondContact O-N 3.33Å; L141-V144 PolarHBondContact O-N 3.28Å; V144-W147 PolarHBondContact O-N 3.12Å; V144-G148 PolarHBondContact O-N 3.46Å |
| 145 | K | 92.9 | Very high | 89 | Confident | 138 Ų | 138 | 82.8 Ų | 82.8 | 60% | 0.6 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63.6 | -48.1 | 176.2 | -176.3 | -177.8 | 174.7 | -173.4 | 0 | 111.5 | L141 D142 S143 W147 G148 I149 | L141-K145 WeakPolarHBondContact O-CB 3.34Å; L141-K145 PolarHBondContact O-N 2.97Å; D142-K145 PolarHBondContact O-N 3.38Å; S143-K145 VanDerWaalsContact C-N 3.34Å; S143-K145 PolarHBondContact O-N 3.27Å; K145-W147 VanDerWaalsContact C-N 3.33Å; K145-W147 PolarHBondContact O-N 3.43Å; K145-G148 PolarHBondContact O-N 3.38Å; K145-I149 HydrophobicContact CG-CD1 4.06Å; K145-I149 WeakPolarHBondContact O-CG1 3.39Å; K145-I149 PolarHBondContact O-N 3.04Å |
| 146 | K | 89.9 | Confident | 90.1 | Very high | 106 Ų | 106 | 85.3 Ų | 85.3 | 46% | 0.461 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 177.3 | -172.3 | 167.8 | -173.5 | 160.3 | 0 | 110.9 | D142 S143 I149 N150 E312 | D142-K146 WeakPolarHBondContact O-CB 3.31Å; D142-K146 PolarHBondContact O-N 3.26Å; S143-K146 PolarHBondContact O-N 3.5Å; K146-I149 PolarHBondContact O-N 2.91Å; K146-N150 WeakPolarHBondContact O-CB 3.38Å; K146-N150 PolarHBondContact O-N 3.46Å; K146-E312 WeakPolarHBondContact CE-OE2 3.43Å; K146-E312 IonicContact NZ-OE1 2.72Å; K146-E312 PolarHBondContact NZ-OE1 3.26Å; K146-E312 IonicContact NZ-OE2 2.92Å; K146-E312 PolarHBondContact NZ-OE2 2.94Å; K146-E312 VanDerWaalsContact NZ-OE2 3.1Å |
| 147 | W | 92.1 | Very high | 91.1 | Very high | 173 Ų | 173 | 82.7 Ų | 82.7 | 66% | 0.655 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -59.8 | -45.3 | 174.6 | 175.1 | 82.4 | 0 | 0 | 0 | 112.4 | S143 V144 K145 N150 T151 | S143-W147 VanDerWaalsContact O-CB 3.28Å; S143-W147 WeakPolarHBondContact O-CB 3.48Å; S143-W147 PolarHBondContact O-N 3.14Å; V144-W147 PolarHBondContact O-N 3.12Å; K145-W147 VanDerWaalsContact C-N 3.33Å; K145-W147 PolarHBondContact O-N 3.43Å; W147-N150 PolarHBondContact O-N 3.02Å; W147-T151 VanDerWaalsContact O-CB 3.29Å; W147-T151 WeakPolarHBondContact O-CB 3.48Å; W147-T151 PolarHBondContact O-N 2.84Å; W147-T151 PolarHBondContact O-OG1 3.09Å |
| 148 | G | 95.6 | Very high | 91.9 | Very high | 32 Ų | 32 | 83.1 Ų | 83.1 | 33% | 0.33 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V144 K145 T151 Y152 | V144-G148 PolarHBondContact O-N 3.46Å; K145-G148 PolarHBondContact O-N 3.38Å; G148-T151 PolarHBondContact O-N 2.95Å; G148-Y152 WeakPolarHBondContact O-CB 3.48Å; G148-Y152 PolarHBondContact O-N 3.36Å |
| 149 | I | 92.9 | Very high | 92.6 | Very high | 77 Ų | 77 | 84.5 Ų | 84.5 | 40% | 0.395 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.3 | -48.6 | 176 | -67.3 | 167 | 0 | 0 | 0 | 110.8 | K145 K146 T151 Y152 K153 | K145-I149 HydrophobicContact CG-CD1 4.06Å; K145-I149 WeakPolarHBondContact O-CG1 3.39Å; K145-I149 PolarHBondContact O-N 3.04Å; K146-I149 PolarHBondContact O-N 2.91Å; I149-T151 VanDerWaalsContact C-N 3.32Å; I149-T151 PolarHBondContact O-N 2.94Å; I149-Y152 PolarHBondContact O-N 3.46Å; I149-K153 HydrophobicContact CG2-CD 4.19Å; I149-K153 HydrophobicContact CG2-CG 4.49Å; I149-K153 WeakPolarHBondContact O-CG 3.41Å; I149-K153 PolarHBondContact O-N 3.33Å |
| 150 | N | 93.9 | Very high | 93 | Very high | 27 Ų | 27 | 79.8 Ų | 79.8 | 14% | 0.144 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.3 | -45.6 | 178.3 | -176.8 | 35.5 | 0 | 0 | 0 | 111.2 | K146 W147 Y152 K153 C154 E282 Y286 | K146-N150 WeakPolarHBondContact O-CB 3.38Å; K146-N150 PolarHBondContact O-N 3.46Å; W147-N150 PolarHBondContact O-N 3.02Å; N150-Y152 VanDerWaalsContact C-N 3.34Å; N150-Y152 PolarHBondContact O-N 3.24Å; N150-K153 PolarHBondContact O-N 3.44Å; N150-C154 WeakPolarHBondContact O-CB 3.47Å; N150-C154 PolarHBondContact O-N 3.39Å; N150-C154 PolarHBondContact O-SG 3.49Å; N150-C154 PolarHBondContact OD1-SG 2.93Å; N150-C154 VanDerWaalsContact OD1-SG 3.39Å; N150-E282 PolarHBondContact ND2-OE1 2.85Å; N150-E282 VanDerWaalsContact ND2-OE1 3.08Å; N150-Y286 WeakPolarHBondContact OD1-CE2 3.29Å |
| 151 | T | 95 | Very high | 93.4 | Very high | 52 Ų | 52 | 74.8 Ų | 74.8 | 32% | 0.319 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.6 | -44.8 | 178 | -59.8 | 0 | 0 | 0 | 0 | 111.4 | W147 G148 I149 T155 | W147-T151 VanDerWaalsContact O-CB 3.29Å; W147-T151 WeakPolarHBondContact O-CB 3.48Å; W147-T151 PolarHBondContact O-N 2.84Å; W147-T151 PolarHBondContact O-OG1 3.09Å; G148-T151 PolarHBondContact O-N 2.95Å; I149-T151 VanDerWaalsContact C-N 3.32Å; I149-T151 PolarHBondContact O-N 2.94Å; T151-T155 VanDerWaalsContact O-CB 3.28Å; T151-T155 WeakPolarHBondContact O-CB 3.32Å; T151-T155 PolarHBondContact O-N 3.15Å; T151-T155 PolarHBondContact O-OG1 2.87Å |
| 152 | Y | 96.6 | Very high | 93.5 | Very high | 156 Ų | 156 | 76.5 Ų | 76.5 | 61% | 0.612 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -61 | -48.9 | 175.8 | 171.7 | -99.6 | 0 | 0 | 0 | 111.8 | G148 I149 N150 T155 K156 | G148-Y152 WeakPolarHBondContact O-CB 3.48Å; G148-Y152 PolarHBondContact O-N 3.36Å; I149-Y152 PolarHBondContact O-N 3.46Å; N150-Y152 VanDerWaalsContact C-N 3.34Å; N150-Y152 PolarHBondContact O-N 3.24Å; Y152-T155 PolarHBondContact O-N 2.88Å; Y152-K156 WeakPolarHBondContact O-CB 3.47Å; Y152-K156 PolarHBondContact O-N 3.33Å |
| 153 | K | 94.7 | Very high | 93.7 | Very high | 33 Ų | 33 | 78.7 Ų | 78.7 | 14% | 0.143 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.1 | -50.2 | 178.5 | -75.4 | -178.4 | 169.7 | -169.8 | 0 | 111.8 | I149 N150 T155 K156 Q157 A285 Y286 D289 | I149-K153 HydrophobicContact CG2-CD 4.19Å; I149-K153 HydrophobicContact CG2-CG 4.49Å; I149-K153 WeakPolarHBondContact O-CG 3.41Å; I149-K153 PolarHBondContact O-N 3.33Å; N150-K153 PolarHBondContact O-N 3.44Å; K153-T155 VanDerWaalsContact C-N 3.31Å; K153-T155 PolarHBondContact O-N 2.94Å; K153-K156 PolarHBondContact O-N 3.31Å; K153-Q157 WeakPolarHBondContact O-CB 3.45Å; K153-Q157 PolarHBondContact O-N 3.34Å; K153-A285 HydrophobicContact CB-CB 4.09Å; K153-Y286 HydrophobicContact CD-CD2 4.25Å; K153-Y286 HydrophobicContact CD-CE1 4.2Å; K153-Y286 HydrophobicContact CD-CE2 3.87Å; K153-D289 VanDerWaalsContact CE-OD2 3.28Å; K153-D289 WeakPolarHBondContact CE-OD2 3.47Å; K153-D289 VanDerWaalsContact NZ-CG 3.34Å; K153-D289 IonicContact NZ-OD1 3.1Å; K153-D289 IonicContact NZ-OD2 3.57Å; K153-D289 PolarHBondContact NZ-OD2 3.28Å |
| 154 | C | 96.1 | Very high | 93.8 | Very high | 12 Ų | 12 | 78.3 Ų | 78.3 | 8% | 0.081 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.8 | -39 | 177.8 | -68.2 | 0 | 0 | 0 | 0 | 112.2 | N150 Q157 M158 L281 E282 | N150-C154 WeakPolarHBondContact O-CB 3.47Å; N150-C154 PolarHBondContact O-N 3.39Å; N150-C154 PolarHBondContact O-SG 3.49Å; N150-C154 PolarHBondContact OD1-SG 2.93Å; N150-C154 VanDerWaalsContact OD1-SG 3.39Å; C154-Q157 PolarHBondContact O-N 2.81Å; C154-M158 WeakPolarHBondContact O-CB 3.48Å; C154-M158 PolarHBondContact O-N 3.03Å; C154-L281 HydrophobicContact CB-CD2 4.02Å; C154-L281 HydrophobicContact CB-CG 4.19Å; C154-E282 VanDerWaalsContact SG-CG 3.54Å |
| 155 | T | 96 | Very high | 93.6 | Very high | 56 Ų | 56 | 83.5 Ų | 83.5 | 34% | 0.344 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.2 | -46.7 | 176.2 | -58.5 | 0 | 0 | 0 | 0 | 110.9 | T151 Y152 K153 Q157 M158 F159 | T151-T155 VanDerWaalsContact O-CB 3.28Å; T151-T155 WeakPolarHBondContact O-CB 3.32Å; T151-T155 PolarHBondContact O-N 3.15Å; T151-T155 PolarHBondContact O-OG1 2.87Å; Y152-T155 PolarHBondContact O-N 2.88Å; K153-T155 VanDerWaalsContact C-N 3.31Å; K153-T155 PolarHBondContact O-N 2.94Å; T155-Q157 VanDerWaalsContact C-N 3.31Å; T155-Q157 PolarHBondContact O-N 3.04Å; T155-M158 PolarHBondContact O-N 2.79Å; T155-F159 HydrophobicContact CG2-CD2 3.77Å; T155-F159 HydrophobicContact CG2-CE2 3.62Å; T155-F159 VanDerWaalsContact O-CD2 3.23Å; T155-F159 WeakPolarHBondContact O-CD2 3.22Å; T155-F159 PolarHBondContact O-N 3.24Å |
| 156 | K | 95.6 | Very high | 93 | Very high | 87 Ų | 87 | 77.9 Ų | 77.9 | 38% | 0.378 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -56.9 | -45.6 | 174.6 | -177.5 | -174.9 | 173.4 | -170.5 | 0 | 110.7 | Y152 K153 S160 E292 | Y152-K156 WeakPolarHBondContact O-CB 3.47Å; Y152-K156 PolarHBondContact O-N 3.33Å; K153-K156 PolarHBondContact O-N 3.31Å; K156-S160 WeakPolarHBondContact O-CB 3.49Å; K156-S160 PolarHBondContact O-N 2.95Å; K156-S160 PolarHBondContact O-OG 2.94Å; K156-E292 IonicContact NZ-OE1 2.7Å; K156-E292 IonicContact NZ-OE2 3.55Å; K156-E292 PolarHBondContact NZ-OE2 2.83Å |
| 157 | Q | 96.4 | Very high | 93 | Very high | 7 Ų | 7 | 76.4 Ų | 76.4 | 3% | 0.033 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.9 | -49.6 | 178.2 | -179.6 | 61 | 28.3 | 0 | 0 | 111.8 | K153 C154 T155 F159 S160 E161 S167 L281 D284 A285 S288 | K153-Q157 WeakPolarHBondContact O-CB 3.45Å; K153-Q157 PolarHBondContact O-N 3.34Å; C154-Q157 PolarHBondContact O-N 2.81Å; T155-Q157 VanDerWaalsContact C-N 3.31Å; T155-Q157 PolarHBondContact O-N 3.04Å; Q157-F159 VanDerWaalsContact C-N 3.33Å; Q157-F159 PolarHBondContact O-N 3.11Å; Q157-S160 WeakPolarHBondContact O-CA 3.43Å; Q157-S160 WeakPolarHBondContact O-CB 3.24Å; Q157-S160 PolarHBondContact O-N 3.49Å; Q157-E161 WeakPolarHBondContact CG-OE1 3.49Å; Q157-E161 PolarHBondContact NE2-OE1 3.49Å; Q157-E161 PolarHBondContact O-N 2.89Å; Q157-S167 PolarHBondContact NE2-O 3.18Å; Q157-S167 VanDerWaalsContact NE2-O 3.14Å; Q157-L281 HydrophobicContact CB-CD1 4.02Å; Q157-L281 HydrophobicContact CG-CD1 3.66Å; Q157-D284 HydrophobicContact CG-CB 3.94Å; Q157-D284 PolarHBondContact OE1-O 3.34Å; Q157-A285 HydrophobicContact CB-CB 3.65Å; Q157-A285 HydrophobicContact CG-CB 4.08Å; Q157-S288 PolarHBondContact OE1-OG 3.4Å; Q157-S288 VanDerWaalsContact OE1-OG 3.13Å |
| 158 | M | 94.2 | Very high | 93.1 | Very high | 67 Ų | 67 | 72.5 Ų | 72.5 | 33% | 0.33 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.5 | -44.1 | 179.5 | 177.8 | -175.4 | 55.6 | 0 | 0 | 112.1 | C154 T155 K162 L281 | C154-M158 WeakPolarHBondContact O-CB 3.48Å; C154-M158 PolarHBondContact O-N 3.03Å; T155-M158 PolarHBondContact O-N 2.79Å; M158-K162 WeakPolarHBondContact O-CG 3.47Å; M158-K162 PolarHBondContact O-N 2.86Å; M158-K162 VanDerWaalsContact O-N 3.14Å; M158-L281 HydrophobicContact CB-CD1 4.12Å; M158-L281 HydrophobicContact CB-CD2 4.33Å |
| 159 | F | 94.9 | Very high | 93.1 | Very high | 103 Ų | 103 | 72.3 Ų | 72.3 | 45% | 0.452 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.1 | -40.6 | 175.2 | -80 | -69.9 | 0 | 0 | 0 | 111.5 | T155 Q157 E161 K162 F163 | T155-F159 HydrophobicContact CG2-CD2 3.77Å; T155-F159 HydrophobicContact CG2-CE2 3.62Å; T155-F159 VanDerWaalsContact O-CD2 3.23Å; T155-F159 WeakPolarHBondContact O-CD2 3.22Å; T155-F159 PolarHBondContact O-N 3.24Å; Q157-F159 VanDerWaalsContact C-N 3.33Å; Q157-F159 PolarHBondContact O-N 3.11Å; F159-E161 VanDerWaalsContact C-N 3.34Å; F159-E161 PolarHBondContact O-N 3.46Å; F159-K162 PolarHBondContact O-N 3.5Å; F159-F163 HydrophobicContact CB-CD2 4.39Å; F159-F163 HydrophobicContact CB-CE2 4.41Å; F159-F163 AromaticContact CD1-CE2 3.92Å; F159-F163 HydrophobicContact CD1-CE2 3.92Å; F159-F163 WeakPolarHBondContact O-CD2 3.39Å; F159-F163 PolarHBondContact O-N 3.32Å |
| 160 | S | 93 | Very high | 93.2 | Very high | 32 Ų | 32 | 72.2 Ų | 72.2 | 22% | 0.224 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 178.7 | -59.3 | 0 | 0 | 0 | 0 | 111.6 | K156 Q157 F163 G164 R165 G166 | K156-S160 WeakPolarHBondContact O-CB 3.49Å; K156-S160 PolarHBondContact O-N 2.95Å; K156-S160 PolarHBondContact O-OG 2.94Å; Q157-S160 WeakPolarHBondContact O-CA 3.43Å; Q157-S160 WeakPolarHBondContact O-CB 3.24Å; Q157-S160 PolarHBondContact O-N 3.49Å; S160-F163 PolarHBondContact O-N 3.2Å; S160-G164 PolarHBondContact O-N 2.78Å; S160-R165 CarbonylContact O-C 3.6Å; S160-R165 PolarHBondContact O-N 3.23Å; S160-G166 PolarHBondContact O-N 2.86Å |
| 161 | E | 93.8 | Very high | 93.3 | Very high | 35 Ų | 35 | 71.9 Ų | 71.9 | 16% | 0.164 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.4 | -49.1 | 173.2 | -70.7 | 176.1 | -156.5 | 0 | 0 | 111.7 | Q157 F159 F163 G164 R168 R280 | Q157-E161 WeakPolarHBondContact CG-OE1 3.49Å; Q157-E161 PolarHBondContact NE2-OE1 3.49Å; Q157-E161 PolarHBondContact O-N 2.89Å; F159-E161 VanDerWaalsContact C-N 3.34Å; F159-E161 PolarHBondContact O-N 3.46Å; E161-F163 VanDerWaalsContact C-N 3.25Å; E161-F163 PolarHBondContact O-N 3.07Å; E161-G164 PolarHBondContact O-N 3.06Å; E161-R168 HydrophobicContact CG-CB 4.13Å; E161-R280 IonicContact OE2-NH2 2.94Å; E161-R280 PolarHBondContact OE2-NH2 3.41Å |
| 162 | K | 91.6 | Very high | 93.4 | Very high | 152 Ų | 152 | 75.8 Ų | 75.8 | 66% | 0.661 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -60.7 | -32.2 | -179.4 | -75.6 | -178.8 | -179.8 | -178 | 0 | 113.7 | M158 F159 G164 | M158-K162 WeakPolarHBondContact O-CG 3.47Å; M158-K162 PolarHBondContact O-N 2.86Å; M158-K162 VanDerWaalsContact O-N 3.14Å; F159-K162 PolarHBondContact O-N 3.5Å; K162-G164 VanDerWaalsContact C-N 3.35Å |
| 163 | F | 92.8 | Very high | 93.5 | Very high | 136 Ų | 136 | 75 Ų | 75 | 60% | 0.596 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 5.8 | 177.5 | -69.9 | -65.4 | 0 | 0 | 0 | 113.6 | F159 S160 E161 R165 | F159-F163 HydrophobicContact CB-CD2 4.39Å; F159-F163 HydrophobicContact CB-CE2 4.41Å; F159-F163 AromaticContact CD1-CE2 3.92Å; F159-F163 HydrophobicContact CD1-CE2 3.92Å; F159-F163 WeakPolarHBondContact O-CD2 3.39Å; F159-F163 PolarHBondContact O-N 3.32Å; S160-F163 PolarHBondContact O-N 3.2Å; E161-F163 VanDerWaalsContact C-N 3.25Å; E161-F163 PolarHBondContact O-N 3.07Å; F163-R165 HydrophobicContact CB-CG 4.36Å; F163-R165 PolarHBondContact O-N 3.05Å |
| 164 | G | 88.8 | Confident | 93.6 | Very high | 70 Ų | 70 | 73.6 Ų | 73.6 | 72% | 0.722 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 20.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | S160 E161 K162 | S160-G164 PolarHBondContact O-N 2.78Å; E161-G164 PolarHBondContact O-N 3.06Å; K162-G164 VanDerWaalsContact C-N 3.35Å |
| 165 | R | 87.9 | Confident | 93.7 | Very high | 202 Ų | 202 | 75.4 Ų | 75.4 | 76% | 0.762 | 39% | 0.385 | S | S | * | . | trans | -103.1 | -14.1 | -179.3 | -63.8 | -173.5 | 178.1 | 110 | -0.3 | 113.3 | S160 F163 | S160-R165 CarbonylContact O-C 3.6Å; S160-R165 PolarHBondContact O-N 3.23Å; F163-R165 HydrophobicContact CB-CG 4.36Å; F163-R165 PolarHBondContact O-N 3.05Å | ||
| 166 | G | 81.6 | Confident | 93.8 | Very high | 21 Ų | 21 | 75.4 Ų | 75.4 | 22% | 0.216 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -111.5 | 140.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S160 | S160-G166 PolarHBondContact O-N 2.86Š|
| 167 | S | 89.4 | Confident | 93.9 | Very high | 74 Ų | 74 | 74.4 Ų | 74.4 | 52% | 0.517 | 39% | 0.387 | S | S | . | . | trans | -76.8 | 130.4 | 170.7 | 167.4 | 0 | 0 | 0 | 0 | 109.9 | Q157 R287 | Q157-S167 PolarHBondContact NE2-O 3.18Å; Q157-S167 VanDerWaalsContact NE2-O 3.14Å; S167-R287 VanDerWaalsContact CB-NH2 3.28Å; S167-R287 PolarHBondContact O-NH2 3.1Å; S167-R287 VanDerWaalsContact O-NH2 3.11Å; S167-R287 PolarHBondContact OG-NH2 3.34Å | ||
| 168 | R | 94.6 | Very high | 94 | Very high | 91 Ų | 91 | 74.2 Ų | 74.2 | 34% | 0.343 | 39% | 0.386 | S | S | . | . | trans | -108.4 | 130.6 | -179 | -179.9 | -177.4 | 179.9 | -86.2 | 3.5 | 109.5 | E161 V170 E175 R280 | E161-R168 HydrophobicContact CG-CB 4.13Å; R168-V170 HydrophobicContact CG-CG2 4.44Å; R168-V170 WeakPolarHBondContact O-CG2 3.45Å; R168-E175 IonicContact CZ-OE1 2.61Å; R168-E175 IonicContact NH1-OE1 3.21Å; R168-E175 PolarHBondContact NH1-OE1 3.33Å; R168-E175 IonicContact NH1-OE2 3.87Å; R168-E175 IonicContact NH2-OE1 3.76Å; R168-E175 PolarHBondContact NH2-OE1 2.99Å; R168-R280 VanDerWaalsContact NH2-NH1 3.11Å | ||
| 169 | T | 95.8 | Very high | 94.2 | Very high | 28 Ų | 28 | 75.6 Ų | 75.6 | 17% | 0.172 | 40% | 0.395 | C | S | . | . | trans | -70.7 | 132.3 | 170.1 | -66.7 | 0 | 0 | 0 | 0 | 110.1 | R280 F283 D284 Y320 | T169-R280 HydrophobicContact CG2-CG 4.4Å; T169-R280 WeakPolarHBondContact O-CD 3.49Å; T169-F283 HydrophobicContact CG2-CE1 4.36Å; T169-F283 WeakPolarHBondContact OG1-CE1 3.4Å; T169-D284 WeakPolarHBondContact CB-OD1 3.12Å; T169-D284 WeakPolarHBondContact CB-OD2 3.43Å; T169-D284 PolarHBondContact N-OD1 2.81Å; T169-D284 PolarHBondContact N-OD2 2.9Å; T169-D284 PolarHBondContact OG1-OD1 3.35Å; T169-Y320 HydrophobicContact CG2-CE1 4.21Å; T169-Y320 HydrophobicContact CG2-CE2 4.38Å; T169-Y320 VanDerWaalsContact CG2-OH 3.29Å; T169-Y320 WeakPolarHBondContact CG2-OH 3.15Å | ||
| 170 | V | 95.1 | Very high | 94.4 | Very high | 75 Ų | 75 | 74.9 Ų | 74.9 | 46% | 0.455 | 40% | 0.399 | S | S | . | . | trans | -130.4 | 132.1 | -175.9 | -170 | 0 | 0 | 0 | 0 | 110.2 | R168 L172 | R168-V170 HydrophobicContact CG-CG2 4.44Å; R168-V170 WeakPolarHBondContact O-CG2 3.45Å; V170-L172 HydrophobicContact CG1-CD2 3.67Å; V170-L172 HydrophobicContact CG1-CG 4.14Å | ||
| 171 | D | 96.5 | Very high | 94.7 | Very high | 20 Ų | 20 | 74 Ų | 74 | 11% | 0.107 | 39% | 0.391 | C | S | . | . | trans | -119.7 | 96.7 | 167.3 | -173.7 | -28.7 | 0 | 0 | 0 | 108.1 | E173 L174 E175 R324 | D171-E173 VanDerWaalsContact C-N 3.29Å; D171-E173 PolarHBondContact O-N 3.45Å; D171-E173 PolarHBondContact OD1-N 3.44Å; D171-L174 HydrophobicContact CB-CB 3.97Å; D171-L174 VanDerWaalsContact CG-CB 3.45Å; D171-L174 PolarHBondContact O-N 2.92Å; D171-L174 PolarHBondContact OD1-N 3.37Å; D171-E175 WeakPolarHBondContact O-CB 3.14Å; D171-E175 VanDerWaalsContact O-CG 3.26Å; D171-E175 WeakPolarHBondContact O-CG 3.32Å; D171-E175 PolarHBondContact O-N 3.23Å; D171-R324 IonicContact OD2-CZ 3.73Å; D171-R324 IonicContact OD2-NE 3.33Å; D171-R324 PolarHBondContact OD2-NE 3.5Å; D171-R324 IonicContact OD2-NH2 2.73Å; D171-R324 PolarHBondContact OD2-NH2 3.41Å | ||
| 172 | L | 97.1 | Very high | 94.9 | Very high | 134 Ų | 134 | 77.1 Ų | 77.1 | 70% | 0.702 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.3 | -36.1 | -172.5 | -65.4 | 174.1 | 0 | 0 | 0 | 112.5 | V170 A176 | V170-L172 HydrophobicContact CG1-CD2 3.67Å; V170-L172 HydrophobicContact CG1-CG 4.14Å; L172-A176 WeakPolarHBondContact O-CB 3.21Å; L172-A176 PolarHBondContact O-N 3.34Å; L172-A176 VanDerWaalsContact O-N 3.09Å |
| 173 | E | 97.1 | Very high | 95.3 | Very high | 139 Ų | 139 | 73.4 Ų | 73.4 | 65% | 0.65 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -70.2 | -47.7 | -179.8 | -173.5 | -177.1 | 168 | 0 | 0 | 110.2 | D171 E175 A176 Q177 | D171-E173 VanDerWaalsContact C-N 3.29Å; D171-E173 PolarHBondContact O-N 3.45Å; D171-E173 PolarHBondContact OD1-N 3.44Å; E173-E175 PolarHBondContact O-N 3.18Å; E173-A176 PolarHBondContact O-N 3.02Å; E173-Q177 WeakPolarHBondContact O-CG 3.3Å; E173-Q177 PolarHBondContact O-N 3.45Å; E173-Q177 PolarHBondContact OE1-NE2 3.01Å |
| 174 | L | 97.4 | Very high | 95.5 | Very high | 4 Ų | 4 | 68 Ų | 68 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.7 | -38.6 | 179.8 | -163.2 | 64.2 | 0 | 0 | 0 | 111.8 | D171 Q177 I178 Y276 R324 V327 L331 | D171-L174 HydrophobicContact CB-CB 3.97Å; D171-L174 VanDerWaalsContact CG-CB 3.45Å; D171-L174 PolarHBondContact O-N 2.92Å; D171-L174 PolarHBondContact OD1-N 3.37Å; L174-Q177 PolarHBondContact O-N 2.82Å; L174-I178 HydrophobicContact CG-CD1 4.11Å; L174-I178 WeakPolarHBondContact O-CB 3.43Å; L174-I178 WeakPolarHBondContact O-CD1 3.19Å; L174-I178 VanDerWaalsContact O-CG1 3.23Å; L174-I178 WeakPolarHBondContact O-CG1 3.41Å; L174-I178 PolarHBondContact O-N 3.33Å; L174-Y276 HydrophobicContact CD2-CE1 3.99Å; L174-Y276 HydrophobicContact CD2-CE2 4.07Å; L174-R324 HydrophobicContact CD2-CG 4.02Å; L174-V327 HydrophobicContact CD1-CG1 3.92Å; L174-V327 HydrophobicContact CD2-CB 4.46Å; L174-V327 HydrophobicContact CD2-CG1 4.21Å; L174-V327 HydrophobicContact CG-CG1 4.27Å; L174-L331 HydrophobicContact CD1-CD1 3.75Å |
| 175 | E | 97.8 | Very high | 96 | Very high | 51 Ų | 51 | 65.8 Ų | 65.8 | 24% | 0.238 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 174.5 | -76.9 | -177.7 | 175.3 | 0 | 0 | 111.6 | R168 D171 E173 Q177 I178 D179 | R168-E175 IonicContact CZ-OE1 2.61Å; R168-E175 IonicContact NH1-OE1 3.21Å; R168-E175 PolarHBondContact NH1-OE1 3.33Å; R168-E175 IonicContact NH1-OE2 3.87Å; R168-E175 IonicContact NH2-OE1 3.76Å; R168-E175 PolarHBondContact NH2-OE1 2.99Å; D171-E175 WeakPolarHBondContact O-CB 3.14Å; D171-E175 VanDerWaalsContact O-CG 3.26Å; D171-E175 WeakPolarHBondContact O-CG 3.32Å; D171-E175 PolarHBondContact O-N 3.23Å; E173-E175 PolarHBondContact O-N 3.18Å; E175-Q177 VanDerWaalsContact C-N 3.34Å; E175-Q177 PolarHBondContact O-N 3.49Å; E175-I178 PolarHBondContact O-N 3.22Å; E175-D179 PolarHBondContact O-N 3.41Å |
| 176 | A | 98.4 | Very high | 96.5 | Very high | 55 Ų | 55 | 59.4 Ų | 59.4 | 46% | 0.455 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L172 E173 D179 V180 | L172-A176 WeakPolarHBondContact O-CB 3.21Å; L172-A176 PolarHBondContact O-N 3.34Å; L172-A176 VanDerWaalsContact O-N 3.09Å; E173-A176 PolarHBondContact O-N 3.02Å; A176-D179 PolarHBondContact O-N 3.25Å; A176-V180 WeakPolarHBondContact O-CG2 3.37Å; A176-V180 PolarHBondContact O-N 3.46Å |
| 177 | Q | 98.4 | Very high | 97.3 | Very high | 66 Ų | 66 | 64 Ų | 64 | 31% | 0.308 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 177.1 | -67.2 | 178.1 | 26.6 | 0 | 0 | 112.4 | E173 L174 E175 V180 L181 L331 | E173-Q177 WeakPolarHBondContact O-CG 3.3Å; E173-Q177 PolarHBondContact O-N 3.45Å; E173-Q177 PolarHBondContact OE1-NE2 3.01Å; L174-Q177 PolarHBondContact O-N 2.82Å; E175-Q177 VanDerWaalsContact C-N 3.34Å; E175-Q177 PolarHBondContact O-N 3.49Å; Q177-V180 PolarHBondContact O-N 3.12Å; Q177-L181 PolarHBondContact O-N 3Å; Q177-L331 HydrophobicContact CB-CD1 3.93Å |
| 178 | I | 98.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 176.2 | -70.9 | 165.2 | 0 | 0 | 0 | 111 | L174 E175 L181 R182 I273 Y276 V327 L331 | L174-I178 HydrophobicContact CG-CD1 4.11Å; L174-I178 WeakPolarHBondContact O-CB 3.43Å; L174-I178 WeakPolarHBondContact O-CD1 3.19Å; L174-I178 VanDerWaalsContact O-CG1 3.23Å; L174-I178 WeakPolarHBondContact O-CG1 3.41Å; L174-I178 PolarHBondContact O-N 3.33Å; E175-I178 PolarHBondContact O-N 3.22Å; I178-L181 WeakPolarHBondContact O-CB 3.28Å; I178-L181 PolarHBondContact O-N 3.4Å; I178-R182 HydrophobicContact CG2-CG 4.5Å; I178-R182 VanDerWaalsContact CG2-CZ 3.47Å; I178-R182 WeakPolarHBondContact O-CG 3.4Å; I178-R182 PolarHBondContact O-N 3.4Å; I178-I273 HydrophobicContact CD1-CG1 4.24Å; I178-I273 HydrophobicContact CD1-CG2 3.83Å; I178-I273 HydrophobicContact CG1-CD1 3.86Å; I178-I273 HydrophobicContact CG1-CG1 4.07Å; I178-I273 HydrophobicContact CG1-CG2 4.2Å; I178-I273 HydrophobicContact CG2-CD1 4.32Å; I178-I273 HydrophobicContact CG2-CG2 4.03Å; I178-Y276 HydrophobicContact CD1-CE1 4.42Å; I178-V327 HydrophobicContact CD1-CG1 4.47Å; I178-L331 HydrophobicContact CG1-CD1 4.42Å |
| 179 | D | 98.4 | Very high | 98 | Very high | 95 Ų | 95 | 61.5 Ų | 61.5 | 51% | 0.508 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.3 | -41.1 | 178.6 | -75.8 | -15 | 0 | 0 | 0 | 111.7 | E175 A176 L181 R182 D183 | E175-D179 PolarHBondContact O-N 3.41Å; A176-D179 PolarHBondContact O-N 3.25Å; D179-L181 VanDerWaalsContact C-N 3.31Å; D179-L181 PolarHBondContact O-N 2.95Å; D179-R182 PolarHBondContact O-N 2.98Å; D179-R182 IonicContact OD1-NH1 3.37Å; D179-D183 WeakPolarHBondContact O-CB 3.32Å; D179-D183 PolarHBondContact O-N 3.47Å |
| 180 | V | 98.6 | Very high | 98.1 | Very high | 88 Ų | 88 | 63.5 Ų | 63.5 | 53% | 0.533 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 172.2 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | A176 Q177 T184 | A176-V180 WeakPolarHBondContact O-CG2 3.37Å; A176-V180 PolarHBondContact O-N 3.46Å; Q177-V180 PolarHBondContact O-N 3.12Å; V180-T184 VanDerWaalsContact O-CB 3.26Å; V180-T184 WeakPolarHBondContact O-CB 3.49Å; V180-T184 PolarHBondContact O-N 3.43Å; V180-T184 PolarHBondContact O-OG1 3.11Å |
| 181 | L | 98.7 | Very high | 98.3 | Very high | 13 Ų | 13 | 62.6 Ų | 62.6 | 7% | 0.068 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.1 | -47.8 | 175.2 | 170.4 | 60 | 0 | 0 | 0 | 111.6 | Q177 I178 D179 D183 T184 K185 M266 T269 L270 I273 L331 L334 | Q177-L181 PolarHBondContact O-N 3Å; I178-L181 WeakPolarHBondContact O-CB 3.28Å; I178-L181 PolarHBondContact O-N 3.4Å; D179-L181 VanDerWaalsContact C-N 3.31Å; D179-L181 PolarHBondContact O-N 2.95Å; L181-D183 PolarHBondContact O-N 3.48Å; L181-T184 PolarHBondContact O-N 3.4Å; L181-K185 WeakPolarHBondContact O-CB 3.43Å; L181-K185 PolarHBondContact O-N 3.42Å; L181-M266 HydrophobicContact CD1-CB 4.47Å; L181-M266 HydrophobicContact CD1-CG 4.22Å; L181-T269 HydrophobicContact CD2-CG2 3.86Å; L181-L270 HydrophobicContact CD2-CD2 4.02Å; L181-L270 HydrophobicContact CD2-CG 4.3Å; L181-L270 HydrophobicContact CG-CD2 4.4Å; L181-I273 HydrophobicContact CD2-CD1 3.68Å; L181-L331 HydrophobicContact CB-CD2 4.29Å; L181-L331 HydrophobicContact CD2-CD2 3.72Å; L181-L334 HydrophobicContact CD1-CD2 3.44Å; L181-L334 VanDerWaalsContact CD1-CD2 3.44Å; L181-L334 HydrophobicContact CD2-CD2 3.99Å; L181-L334 HydrophobicContact CG-CD2 4.36Å |
| 182 | R | 98.7 | Very high | 98.4 | Very high | 101 Ų | 101 | 62.4 Ų | 62.4 | 38% | 0.381 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 179.8 | -73.7 | 171.1 | 173.3 | 154.2 | 0.2 | 111.6 | I178 D179 K185 S186 L270 E277 | I178-R182 HydrophobicContact CG2-CG 4.5Å; I178-R182 VanDerWaalsContact CG2-CZ 3.47Å; I178-R182 WeakPolarHBondContact O-CG 3.4Å; I178-R182 PolarHBondContact O-N 3.4Å; D179-R182 PolarHBondContact O-N 2.98Å; D179-R182 IonicContact OD1-NH1 3.37Å; R182-K185 PolarHBondContact O-N 3.49Å; R182-S186 PolarHBondContact O-N 3.45Å; R182-S186 VanDerWaalsContact O-N 3.07Å; R182-L270 HydrophobicContact CG-CD2 4.19Å; R182-E277 IonicContact CZ-OE1 2.71Å; R182-E277 IonicContact NH1-OE1 3.65Å; R182-E277 IonicContact NH2-OE1 3.58Å; R182-E277 PolarHBondContact NH2-OE1 2.74Å; R182-E277 IonicContact NH2-OE2 3.74Å |
| 183 | D | 98.8 | Very high | 98.5 | Very high | 75 Ų | 75 | 63.1 Ų | 63.1 | 40% | 0.401 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.8 | -45.8 | 175.7 | 175.3 | 61.1 | 0 | 0 | 0 | 111.8 | D179 L181 K185 S186 K187 | D179-D183 WeakPolarHBondContact O-CB 3.32Å; D179-D183 PolarHBondContact O-N 3.47Å; L181-D183 PolarHBondContact O-N 3.48Å; D183-K185 PolarHBondContact O-N 2.94Å; D183-S186 PolarHBondContact O-N 3.49Å; D183-K187 WeakPolarHBondContact O-CG 3.37Å; D183-K187 PolarHBondContact O-N 3.48Å; D183-K187 VanDerWaalsContact OD1-CE 3.3Å; D183-K187 WeakPolarHBondContact OD1-CE 3.5Å; D183-K187 IonicContact OD1-NZ 3.54Å; D183-K187 WeakPolarHBondContact OD2-CE 3.2Å; D183-K187 IonicContact OD2-NZ 2.63Å; D183-K187 PolarHBondContact OD2-NZ 2.97Å |
| 184 | T | 98.7 | Very high | 98.6 | Very high | 22 Ų | 22 | 60.7 Ų | 60.7 | 14% | 0.135 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.1 | -45.2 | 176.9 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | V180 L181 S186 K187 Y188 M266 K338 | V180-T184 VanDerWaalsContact O-CB 3.26Å; V180-T184 WeakPolarHBondContact O-CB 3.49Å; V180-T184 PolarHBondContact O-N 3.43Å; V180-T184 PolarHBondContact O-OG1 3.11Å; L181-T184 PolarHBondContact O-N 3.4Å; T184-S186 VanDerWaalsContact C-N 3.35Å; T184-S186 PolarHBondContact O-N 3.36Å; T184-K187 PolarHBondContact O-N 2.63Å; T184-Y188 HydrophobicContact CG2-CE1 4.2Å; T184-Y188 HydrophobicContact CG2-CE2 4.32Å; T184-Y188 PolarHBondContact O-N 2.91Å; T184-M266 HydrophobicContact CG2-CE 4.12Å; T184-K338 HydrophobicContact CG2-CD 4.04Å |
| 185 | K | 98.6 | Very high | 98.6 | Very high | 24 Ų | 24 | 60.9 Ų | 60.9 | 10% | 0.104 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.8 | -48.3 | 175.9 | -175.2 | 176.9 | -174.4 | -73.3 | 0 | 110.9 | L181 R182 D183 K187 Y188 E189 V262 M266 E267 L270 | L181-K185 WeakPolarHBondContact O-CB 3.43Å; L181-K185 PolarHBondContact O-N 3.42Å; R182-K185 PolarHBondContact O-N 3.49Å; D183-K185 PolarHBondContact O-N 2.94Å; K185-K187 VanDerWaalsContact C-N 3.32Å; K185-K187 PolarHBondContact O-N 3.08Å; K185-Y188 PolarHBondContact O-N 2.84Å; K185-Y188 VanDerWaalsContact O-N 3.15Å; K185-E189 IonicContact NZ-OE1 2.68Å; K185-E189 PolarHBondContact NZ-OE1 3.37Å; K185-E189 WeakPolarHBondContact O-CG 3.47Å; K185-E189 PolarHBondContact O-N 2.88Å; K185-V262 HydrophobicContact CG-CG1 4.06Å; K185-M266 HydrophobicContact CB-SD 3.95Å; K185-M266 HydrophobicContact CD-CB 4.41Å; K185-M266 HydrophobicContact CG-SD 4.12Å; K185-E267 WeakPolarHBondContact CE-OE2 3.35Å; K185-E267 IonicContact NZ-OE2 3.89Å; K185-L270 HydrophobicContact CD-CD1 3.39Å |
| 186 | S | 98.8 | Very high | 98.7 | Very high | 68 Ų | 68 | 61.6 Ų | 61.6 | 48% | 0.476 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60 | -41.3 | 179 | -174.5 | 0 | 0 | 0 | 0 | 112.4 | R182 D183 T184 Y188 E189 N190 | R182-S186 PolarHBondContact O-N 3.45Å; R182-S186 VanDerWaalsContact O-N 3.07Å; D183-S186 PolarHBondContact O-N 3.49Å; T184-S186 VanDerWaalsContact C-N 3.35Å; T184-S186 PolarHBondContact O-N 3.36Å; S186-Y188 PolarHBondContact O-N 2.98Å; S186-E189 PolarHBondContact O-N 3.5Å; S186-N190 PolarHBondContact O-N 3.47Å |
| 187 | K | 98.8 | Very high | 98.7 | Very high | 117 Ų | 117 | 60.7 Ų | 60.7 | 51% | 0.509 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 175.4 | -72.9 | 169.3 | 177.1 | 168.2 | 0 | 112 | D183 T184 K185 N190 I191 | D183-K187 WeakPolarHBondContact O-CG 3.37Å; D183-K187 PolarHBondContact O-N 3.48Å; D183-K187 VanDerWaalsContact OD1-CE 3.3Å; D183-K187 WeakPolarHBondContact OD1-CE 3.5Å; D183-K187 IonicContact OD1-NZ 3.54Å; D183-K187 WeakPolarHBondContact OD2-CE 3.2Å; D183-K187 IonicContact OD2-NZ 2.63Å; D183-K187 PolarHBondContact OD2-NZ 2.97Å; T184-K187 PolarHBondContact O-N 2.63Å; K185-K187 VanDerWaalsContact C-N 3.32Å; K185-K187 PolarHBondContact O-N 3.08Å; K187-N190 WeakPolarHBondContact O-CB 3.42Å; K187-N190 PolarHBondContact O-N 3.38Å; K187-I191 WeakPolarHBondContact O-CG1 3.3Å; K187-I191 PolarHBondContact O-N 3.49Å |
| 188 | Y | 98.8 | Very high | 98.7 | Very high | 37 Ų | 37 | 61 Ų | 61 | 15% | 0.145 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -72.3 | -33 | 178.7 | -73.8 | 10.9 | 0 | 0 | 0 | 112.6 | T184 K185 S186 N190 I191 L192 L261 V262 M266 K338 M342 | T184-Y188 HydrophobicContact CG2-CE1 4.2Å; T184-Y188 HydrophobicContact CG2-CE2 4.32Å; T184-Y188 PolarHBondContact O-N 2.91Å; K185-Y188 PolarHBondContact O-N 2.84Å; K185-Y188 VanDerWaalsContact O-N 3.15Å; S186-Y188 PolarHBondContact O-N 2.98Å; Y188-N190 VanDerWaalsContact C-N 3.29Å; Y188-N190 PolarHBondContact O-N 3.21Å; Y188-I191 HydrophobicContact CD1-CD1 3.97Å; Y188-I191 HydrophobicContact CE1-CD1 4.43Å; Y188-I191 WeakPolarHBondContact O-CB 3.42Å; Y188-I191 PolarHBondContact O-N 3.16Å; Y188-L192 PolarHBondContact O-N 3.05Å; Y188-L261 HydrophobicContact CD2-CD2 4.18Å; Y188-L261 HydrophobicContact CE2-CD2 3.9Å; Y188-V262 VanDerWaalsContact CB-CG2 3.47Å; Y188-V262 HydrophobicContact CD2-CG2 4.1Å; Y188-V262 HydrophobicContact CG-CG2 4.33Å; Y188-M266 HydrophobicContact CD2-CE 3.68Å; Y188-M266 HydrophobicContact CE2-CE 3.8Å; Y188-K338 HydrophobicContact CE2-CD 4.33Å; Y188-K338 HydrophobicContact CE2-CG 3.97Å; Y188-M342 HydrophobicContact CD2-SD 4.14Å; Y188-M342 HydrophobicContact CE1-CE 4.12Å; Y188-M342 HydrophobicContact CE2-CE 4.03Å; Y188-M342 HydrophobicContact CE2-CG 3.52Å; Y188-M342 HydrophobicContact CE2-SD 3.63Å; Y188-M342 WeakPolarHBondContact OH-CG 3.43Å |
| 189 | E | 98.8 | Very high | 98.7 | Very high | 75 Ų | 75 | 61.4 Ų | 61.4 | 35% | 0.35 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61 | -39.8 | 169.2 | -71.8 | 173.4 | 157 | 0 | 0 | 111.8 | K185 S186 L192 R193 V262 | K185-E189 IonicContact NZ-OE1 2.68Å; K185-E189 PolarHBondContact NZ-OE1 3.37Å; K185-E189 WeakPolarHBondContact O-CG 3.47Å; K185-E189 PolarHBondContact O-N 2.88Å; S186-E189 PolarHBondContact O-N 3.5Å; E189-L192 WeakPolarHBondContact O-CB 3.48Å; E189-L192 PolarHBondContact O-N 2.96Å; E189-R193 PolarHBondContact O-N 3.15Å; E189-V262 HydrophobicContact CG-CG1 3.67Å |
| 190 | N | 98.8 | Very high | 98.7 | Very high | 70 Ų | 70 | 60.4 Ų | 60.4 | 37% | 0.374 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.9 | -38.1 | 174.2 | -175.3 | 56.9 | 0 | 0 | 0 | 112.2 | S186 K187 Y188 R193 L194 | S186-N190 PolarHBondContact O-N 3.47Å; K187-N190 WeakPolarHBondContact O-CB 3.42Å; K187-N190 PolarHBondContact O-N 3.38Å; Y188-N190 VanDerWaalsContact C-N 3.29Å; Y188-N190 PolarHBondContact O-N 3.21Å; N190-R193 PolarHBondContact O-N 2.88Å; N190-R193 PolarHBondContact OD1-NE 3.28Å; N190-R193 PolarHBondContact OD1-NH2 3.34Å; N190-L194 VanDerWaalsContact O-CG 3.32Å; N190-L194 WeakPolarHBondContact O-CG 3.21Å; N190-L194 PolarHBondContact O-N 3.32Å |
| 191 | I | 98.6 | Very high | 98.7 | Very high | 57 Ų | 57 | 62.6 Ų | 62.6 | 29% | 0.292 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.7 | -47.3 | 172.3 | -68.7 | 170.7 | 0 | 0 | 0 | 110.4 | K187 Y188 R193 L194 A195 F254 | K187-I191 WeakPolarHBondContact O-CG1 3.3Å; K187-I191 PolarHBondContact O-N 3.49Å; Y188-I191 HydrophobicContact CD1-CD1 3.97Å; Y188-I191 HydrophobicContact CE1-CD1 4.43Å; Y188-I191 WeakPolarHBondContact O-CB 3.42Å; Y188-I191 PolarHBondContact O-N 3.16Å; I191-R193 VanDerWaalsContact C-N 3.33Å; I191-R193 PolarHBondContact O-N 3.48Å; I191-L194 PolarHBondContact O-N 3.21Å; I191-A195 WeakPolarHBondContact O-CB 3.4Å; I191-A195 PolarHBondContact O-N 3.4Å; I191-F254 HydrophobicContact CG2-CE1 3.99Å; I191-F254 HydrophobicContact CG2-CZ 4Å |
| 192 | L | 98.8 | Very high | 98.7 | Very high | 15 Ų | 15 | 63 Ų | 63 | 8% | 0.079 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.5 | -46.1 | 176.6 | -75.6 | 170.1 | 0 | 0 | 0 | 111.7 | Y188 E189 L194 A195 T196 V255 V258 N259 V262 | Y188-L192 PolarHBondContact O-N 3.05Å; E189-L192 WeakPolarHBondContact O-CB 3.48Å; E189-L192 PolarHBondContact O-N 2.96Å; L192-L194 VanDerWaalsContact C-N 3.34Å; L192-L194 PolarHBondContact O-N 3.34Å; L192-A195 PolarHBondContact O-N 3.29Å; L192-T196 WeakPolarHBondContact O-CB 3.41Å; L192-T196 PolarHBondContact O-N 2.89Å; L192-T196 PolarHBondContact O-OG1 3.41Å; L192-V255 HydrophobicContact CD2-CB 4.5Å; L192-V255 HydrophobicContact CD2-CG1 4.04Å; L192-V255 WeakPolarHBondContact CD2-O 3.39Å; L192-V258 HydrophobicContact CD1-CG1 4.27Å; L192-V258 HydrophobicContact CD2-CB 3.85Å; L192-V258 HydrophobicContact CD2-CG1 3.83Å; L192-V258 HydrophobicContact CG-CB 4.43Å; L192-V258 HydrophobicContact CG-CG1 3.85Å; L192-N259 HydrophobicContact CD1-CB 4.28Å; L192-N259 HydrophobicContact CD2-CB 4.1Å; L192-V262 HydrophobicContact CD1-CB 4.16Å; L192-V262 HydrophobicContact CD1-CG1 4.35Å; L192-V262 HydrophobicContact CD1-CG2 4.15Å |
| 193 | R | 98.8 | Very high | 98.7 | Very high | 150 Ų | 150 | 62.5 Ų | 62.5 | 57% | 0.566 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -57.8 | -46.2 | 177 | -174.9 | -172.1 | 66.2 | 81.1 | 0.5 | 111.8 | E189 N190 I191 A197 | E189-R193 PolarHBondContact O-N 3.15Å; N190-R193 PolarHBondContact O-N 2.88Å; N190-R193 PolarHBondContact OD1-NE 3.28Å; N190-R193 PolarHBondContact OD1-NH2 3.34Å; I191-R193 VanDerWaalsContact C-N 3.33Å; I191-R193 PolarHBondContact O-N 3.48Å; R193-A197 PolarHBondContact O-N 3Å; R193-A197 VanDerWaalsContact O-N 3.08Å |
| 194 | L | 98.9 | Very high | 98.7 | Very high | 87 Ų | 87 | 61.9 Ų | 61.9 | 46% | 0.455 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69.1 | -42.4 | -179.5 | -69.5 | 173.2 | 0 | 0 | 0 | 112.2 | N190 I191 L192 A197 L198 | N190-L194 VanDerWaalsContact O-CG 3.32Å; N190-L194 WeakPolarHBondContact O-CG 3.21Å; N190-L194 PolarHBondContact O-N 3.32Å; I191-L194 PolarHBondContact O-N 3.21Å; L192-L194 VanDerWaalsContact C-N 3.34Å; L192-L194 PolarHBondContact O-N 3.34Å; L194-A197 PolarHBondContact O-N 3Å; L194-L198 WeakPolarHBondContact O-CB 3.43Å; L194-L198 PolarHBondContact O-N 2.84Å |
| 195 | A | 98.7 | Very high | 98.6 | Very high | 9 Ų | 9 | 65.5 Ų | 65.5 | 7% | 0.074 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.9 | -40 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I191 L192 L198 I199 F254 V255 | I191-A195 WeakPolarHBondContact O-CB 3.4Å; I191-A195 PolarHBondContact O-N 3.4Å; L192-A195 PolarHBondContact O-N 3.29Å; A195-L198 WeakPolarHBondContact O-CB 3.4Å; A195-L198 PolarHBondContact O-N 3.42Å; A195-I199 WeakPolarHBondContact O-CG1 3.42Å; A195-I199 PolarHBondContact O-N 3.43Å; A195-F254 HydrophobicContact CB-CD1 4.34Å; A195-F254 HydrophobicContact CB-CE1 4.21Å; A195-V255 HydrophobicContact CB-CG2 3.56Å |
| 196 | T | 98.7 | Very high | 98.6 | Very high | 66 Ų | 66 | 64.9 Ų | 64.9 | 41% | 0.405 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 173.2 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | L192 L198 I199 T200 | L192-T196 WeakPolarHBondContact O-CB 3.41Å; L192-T196 PolarHBondContact O-N 2.89Å; L192-T196 PolarHBondContact O-OG1 3.41Å; T196-L198 VanDerWaalsContact C-N 3.3Å; T196-L198 PolarHBondContact O-N 2.94Å; T196-I199 WeakPolarHBondContact O-CB 3.46Å; T196-I199 PolarHBondContact O-N 2.93Å; T196-T200 PolarHBondContact O-N 3.22Å; T196-T200 PolarHBondContact O-OG1 3.17Å |
| 197 | A | 98.8 | Very high | 98.6 | Very high | 36 Ų | 36 | 67.2 Ų | 67.2 | 30% | 0.298 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.9 | -39.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | R193 L194 T200 H201 | R193-A197 PolarHBondContact O-N 3Å; R193-A197 VanDerWaalsContact O-N 3.08Å; L194-A197 PolarHBondContact O-N 3Å; A197-T200 PolarHBondContact O-N 3.42Å; A197-H201 PolarHBondContact O-N 3.08Å |
| 198 | L | 98.6 | Very high | 98.5 | Very high | 71 Ų | 71 | 66.3 Ų | 66.3 | 37% | 0.372 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 174.2 | 178.7 | 62.8 | 0 | 0 | 0 | 111.5 | L194 A195 T196 T200 H201 F202 I251 F349 | L194-L198 WeakPolarHBondContact O-CB 3.43Å; L194-L198 PolarHBondContact O-N 2.84Å; A195-L198 WeakPolarHBondContact O-CB 3.4Å; A195-L198 PolarHBondContact O-N 3.42Å; T196-L198 VanDerWaalsContact C-N 3.3Å; T196-L198 PolarHBondContact O-N 2.94Å; L198-T200 VanDerWaalsContact C-N 3.34Å; L198-T200 PolarHBondContact O-N 3.25Å; L198-H201 PolarHBondContact O-N 3.29Å; L198-F202 WeakPolarHBondContact O-CB 3.43Å; L198-F202 PolarHBondContact O-N 3.14Å; L198-I251 HydrophobicContact CD2-CD1 4.12Å; L198-I251 HydrophobicContact CG-CD1 4.45Å; L198-F349 HydrophobicContact CD2-CZ 4.31Å |
| 199 | I | 98.6 | Very high | 98.5 | Very high | 13 Ų | 13 | 65.8 Ų | 65.8 | 7% | 0.067 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -55.6 | -50.7 | 174.9 | -68.5 | 163.8 | 0 | 0 | 0 | 110 | A195 T196 H201 F202 Q203 L248 I251 V255 | A195-I199 WeakPolarHBondContact O-CG1 3.42Å; A195-I199 PolarHBondContact O-N 3.43Å; T196-I199 WeakPolarHBondContact O-CB 3.46Å; T196-I199 PolarHBondContact O-N 2.93Å; I199-H201 PolarHBondContact O-N 3.01Å; I199-F202 PolarHBondContact O-N 3.49Å; I199-Q203 WeakPolarHBondContact O-CB 3.5Å; I199-Q203 PolarHBondContact O-N 3.27Å; I199-L248 HydrophobicContact CG2-CD2 4.06Å; I199-I251 HydrophobicContact CD1-CB 4.43Å; I199-I251 HydrophobicContact CD1-CG2 3.8Å; I199-I251 HydrophobicContact CG1-CB 4Å; I199-I251 HydrophobicContact CG1-CG2 3.45Å; I199-I251 VanDerWaalsContact CG1-CG2 3.45Å; I199-V255 HydrophobicContact CD1-CB 4.42Å; I199-V255 HydrophobicContact CD1-CG2 3.78Å |
| 200 | T | 98.6 | Very high | 98.4 | Very high | 75 Ų | 75 | 65.5 Ų | 65.5 | 46% | 0.46 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.6 | -50.6 | -177.7 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | T196 A197 L198 F202 Q203 S204 | T196-T200 PolarHBondContact O-N 3.22Å; T196-T200 PolarHBondContact O-OG1 3.17Å; A197-T200 PolarHBondContact O-N 3.42Å; L198-T200 VanDerWaalsContact C-N 3.34Å; L198-T200 PolarHBondContact O-N 3.25Å; T200-F202 PolarHBondContact O-N 2.98Å; T200-Q203 PolarHBondContact O-N 3.07Å; T200-S204 PolarHBondContact O-N 2.9Å; T200-S204 VanDerWaalsContact O-N 3.12Å; T200-S204 PolarHBondContact O-OG 3.06Å |
| 201 | H | 98.6 | Very high | 98.4 | Very high | 134 Ų | 134 | 64.7 Ų | 64.7 | 62% | 0.62 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -65.6 | -41.6 | -179.4 | -64 | 164.7 | 0 | 0 | 0 | 112.2 | A197 L198 I199 S204 M205 | A197-H201 PolarHBondContact O-N 3.08Å; L198-H201 PolarHBondContact O-N 3.29Å; I199-H201 PolarHBondContact O-N 3.01Å; H201-S204 PolarHBondContact O-N 3.01Å; H201-M205 PolarHBondContact O-N 3.44Å |
| 202 | F | 98.4 | Very high | 98.4 | Very high | 20 Ų | 20 | 65.2 Ų | 65.2 | 9% | 0.088 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69.8 | -35.4 | -178.9 | -168.5 | -118.2 | 0 | 0 | 0 | 111.7 | L198 I199 T200 M205 V206 L247 L248 Y356 | L198-F202 WeakPolarHBondContact O-CB 3.43Å; L198-F202 PolarHBondContact O-N 3.14Å; I199-F202 PolarHBondContact O-N 3.49Å; T200-F202 PolarHBondContact O-N 2.98Å; F202-M205 HydrophobicContact CD2-SD 4.05Å; F202-M205 HydrophobicContact CE2-SD 4.09Å; F202-M205 WeakPolarHBondContact O-CB 3.43Å; F202-M205 PolarHBondContact O-N 3.42Å; F202-V206 HydrophobicContact CD1-CG2 4.44Å; F202-V206 HydrophobicContact CE1-CG2 4.11Å; F202-V206 HydrophobicContact CZ-CG2 4.15Å; F202-V206 WeakPolarHBondContact O-CG2 3.49Å; F202-V206 PolarHBondContact O-N 3.46Å; F202-L247 HydrophobicContact CD1-CD2 4.41Å; F202-L247 HydrophobicContact CE1-CB 4.07Å; F202-L247 HydrophobicContact CE1-CD2 3.69Å; F202-L247 HydrophobicContact CE1-CG 4.02Å; F202-L247 HydrophobicContact CZ-CD2 3.82Å; F202-L248 HydrophobicContact CB-CD2 4.33Å; F202-L248 HydrophobicContact CD1-CD1 4.47Å; F202-L248 HydrophobicContact CD1-CD2 3.7Å; F202-L248 HydrophobicContact CD1-CG 3.71Å; F202-L248 HydrophobicContact CE1-CG 4.11Å; F202-L248 HydrophobicContact CG-CD2 4.49Å; F202-Y356 HydrophobicContact CE2-CE1 4.34Å; F202-Y356 HydrophobicContact CZ-CE1 4.12Å; F202-Y356 AromaticContact CZ-CE2 3.81Å; F202-Y356 HydrophobicContact CZ-CE2 3.81Å; F202-Y356 AromaticContact CZ-CZ 3.57Å |
| 203 | Q | 98.4 | Very high | 98.4 | Very high | 92 Ų | 92 | 64.5 Ų | 64.5 | 43% | 0.43 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 172 | -173.9 | 176.1 | 3.3 | 0 | 0 | 111.8 | I199 T200 M205 V206 Q207 L248 | I199-Q203 WeakPolarHBondContact O-CB 3.5Å; I199-Q203 PolarHBondContact O-N 3.27Å; T200-Q203 PolarHBondContact O-N 3.07Å; Q203-M205 VanDerWaalsContact C-N 3.3Å; Q203-M205 PolarHBondContact O-N 3.41Å; Q203-V206 PolarHBondContact O-N 3.24Å; Q203-Q207 WeakPolarHBondContact O-CG 3.37Å; Q203-Q207 PolarHBondContact O-N 2.96Å; Q203-L248 HydrophobicContact CB-CD1 4.25Å; Q203-L248 HydrophobicContact CB-CD2 4.11Å; Q203-L248 HydrophobicContact CG-CD1 4.44Å |
| 204 | S | 98.4 | Very high | 98.3 | Very high | 62 Ų | 62 | 61.3 Ų | 61.3 | 43% | 0.434 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.2 | -37 | 174 | -61.2 | 0 | 0 | 0 | 0 | 112.7 | T200 H201 T208 | T200-S204 PolarHBondContact O-N 2.9Å; T200-S204 VanDerWaalsContact O-N 3.12Å; T200-S204 PolarHBondContact O-OG 3.06Å; H201-S204 PolarHBondContact O-N 3.01Å; S204-T208 PolarHBondContact O-N 3.21Å; S204-T208 VanDerWaalsContact O-N 3.11Å; S204-T208 PolarHBondContact O-OG1 3.32Å |
| 205 | M | 98.1 | Very high | 98.3 | Very high | 98 Ų | 98 | 60.8 Ų | 60.8 | 48% | 0.483 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.7 | -52.1 | 174.3 | -177.7 | -175 | -61.3 | 0 | 0 | 111.2 | H201 F202 Q203 Q207 T208 Q209 | H201-M205 PolarHBondContact O-N 3.44Å; F202-M205 HydrophobicContact CD2-SD 4.05Å; F202-M205 HydrophobicContact CE2-SD 4.09Å; F202-M205 WeakPolarHBondContact O-CB 3.43Å; F202-M205 PolarHBondContact O-N 3.42Å; Q203-M205 VanDerWaalsContact C-N 3.3Å; Q203-M205 PolarHBondContact O-N 3.41Å; M205-Q207 VanDerWaalsContact C-N 3.31Å; M205-Q207 PolarHBondContact O-N 3.39Å; M205-T208 PolarHBondContact O-N 3.28Å; M205-T208 VanDerWaalsContact O-N 3.09Å; M205-Q209 HydrophobicContact CG-CG 4.49Å; M205-Q209 WeakPolarHBondContact O-CG 3.43Å; M205-Q209 PolarHBondContact O-N 2.97Å |
| 206 | V | 97.9 | Very high | 98.3 | Very high | 11 Ų | 11 | 62.2 Ų | 62.2 | 7% | 0.067 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.6 | -41.7 | 179.1 | 169.9 | 0 | 0 | 0 | 0 | 111.5 | F202 Q203 T208 Q209 Q210 C241 E245 L248 | F202-V206 HydrophobicContact CD1-CG2 4.44Å; F202-V206 HydrophobicContact CE1-CG2 4.11Å; F202-V206 HydrophobicContact CZ-CG2 4.15Å; F202-V206 WeakPolarHBondContact O-CG2 3.49Å; F202-V206 PolarHBondContact O-N 3.46Å; Q203-V206 PolarHBondContact O-N 3.24Å; V206-T208 VanDerWaalsContact C-N 3.33Å; V206-T208 PolarHBondContact O-N 3.07Å; V206-Q209 PolarHBondContact O-N 3.44Å; V206-Q210 PolarHBondContact O-N 3.47Å; V206-C241 HydrophobicContact CG1-CB 4.35Å; V206-C241 PolarHBondContact O-SG 3.03Å; V206-E245 HydrophobicContact CG1-CG 4.46Å; V206-L248 HydrophobicContact CB-CD1 4.49Å; V206-L248 HydrophobicContact CG2-CD1 4.27Å |
| 207 | Q | 97.9 | Very high | 98.3 | Very high | 117 Ų | 117 | 60.6 Ų | 60.6 | 55% | 0.547 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.3 | -39.7 | 176 | -73.8 | 173.4 | 1.3 | 0 | 0 | 112.7 | Q203 M205 Q210 A211 | Q203-Q207 WeakPolarHBondContact O-CG 3.37Å; Q203-Q207 PolarHBondContact O-N 2.96Å; M205-Q207 VanDerWaalsContact C-N 3.31Å; M205-Q207 PolarHBondContact O-N 3.39Å; Q207-Q210 PolarHBondContact O-N 2.93Å; Q207-A211 PolarHBondContact O-N 3.28Å; Q207-A211 VanDerWaalsContact O-N 3.11Å |
| 208 | T | 98.4 | Very high | 98.2 | Very high | 97 Ų | 97 | 62.1 Ų | 62.1 | 60% | 0.595 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -70.8 | -39.8 | 178.1 | -59.4 | 0 | 0 | 0 | 0 | 111.2 | S204 M205 V206 Q210 A211 L212 | S204-T208 PolarHBondContact O-N 3.21Å; S204-T208 VanDerWaalsContact O-N 3.11Å; S204-T208 PolarHBondContact O-OG1 3.32Å; M205-T208 PolarHBondContact O-N 3.28Å; M205-T208 VanDerWaalsContact O-N 3.09Å; V206-T208 VanDerWaalsContact C-N 3.33Å; V206-T208 PolarHBondContact O-N 3.07Å; T208-Q210 VanDerWaalsContact C-N 3.28Å; T208-Q210 PolarHBondContact O-N 2.91Å; T208-A211 PolarHBondContact O-N 3.15Å; T208-L212 VanDerWaalsContact O-CB 3.32Å; T208-L212 WeakPolarHBondContact O-CB 3.34Å; T208-L212 PolarHBondContact O-N 3Å |
| 209 | Q | 97.6 | Very high | 98.2 | Very high | 26 Ų | 26 | 61.5 Ų | 61.5 | 12% | 0.121 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.9 | -41.7 | 172.8 | -71.4 | 177.8 | -40.2 | 0 | 0 | 110.9 | M205 V206 L212 G213 Q237 C241 | M205-Q209 HydrophobicContact CG-CG 4.49Å; M205-Q209 WeakPolarHBondContact O-CG 3.43Å; M205-Q209 PolarHBondContact O-N 2.97Å; V206-Q209 PolarHBondContact O-N 3.44Å; Q209-L212 PolarHBondContact O-N 3.28Å; Q209-G213 PolarHBondContact O-N 3.32Å; Q209-Q237 WeakPolarHBondContact O-CB 3.47Å; Q209-C241 VanDerWaalsContact C-SG 3.53Å; Q209-C241 WeakPolarHBondContact CB-SG 3.42Å |
| 210 | Q | 98 | Very high | 98.1 | Very high | 69 Ų | 69 | 61.7 Ų | 61.7 | 32% | 0.322 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.9 | -51.7 | 177.6 | -174.7 | 58.8 | 45.2 | 0 | 0 | 111.4 | V206 Q207 T208 L212 G213 D214 C241 | V206-Q210 PolarHBondContact O-N 3.47Å; Q207-Q210 PolarHBondContact O-N 2.93Å; T208-Q210 VanDerWaalsContact C-N 3.28Å; T208-Q210 PolarHBondContact O-N 2.91Å; Q210-L212 VanDerWaalsContact C-N 3.26Å; Q210-L212 PolarHBondContact O-N 3.45Å; Q210-G213 PolarHBondContact O-N 3.01Å; Q210-G213 VanDerWaalsContact O-N 3.15Å; Q210-D214 PolarHBondContact NE2-OD1 3.47Å; Q210-D214 PolarHBondContact NE2-OD2 3.12Å; Q210-D214 VanDerWaalsContact O-CG 3.3Å; Q210-D214 PolarHBondContact O-N 3.02Å; Q210-C241 VanDerWaalsContact CA-SG 3.51Å; Q210-C241 PolarHBondContact N-SG 3.43Å |
| 211 | A | 98.4 | Very high | 98 | Very high | 53 Ų | 53 | 65.1 Ų | 65.1 | 44% | 0.438 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.2 | -37 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q207 T208 T215 | Q207-A211 PolarHBondContact O-N 3.28Å; Q207-A211 VanDerWaalsContact O-N 3.11Å; T208-A211 PolarHBondContact O-N 3.15Å; A211-T215 WeakPolarHBondContact O-CB 3.34Å; A211-T215 PolarHBondContact O-N 2.95Å; A211-T215 PolarHBondContact O-OG1 3.43Å |
| 212 | L | 98.3 | Very high | 97.9 | Very high | 68 Ų | 68 | 65.3 Ų | 65.3 | 36% | 0.356 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.2 | -44.1 | 176 | -173.5 | 62 | 0 | 0 | 0 | 111.5 | T208 Q209 Q210 D214 T215 F216 Q237 | T208-L212 VanDerWaalsContact O-CB 3.32Å; T208-L212 WeakPolarHBondContact O-CB 3.34Å; T208-L212 PolarHBondContact O-N 3Å; Q209-L212 PolarHBondContact O-N 3.28Å; Q210-L212 VanDerWaalsContact C-N 3.26Å; Q210-L212 PolarHBondContact O-N 3.45Å; L212-D214 VanDerWaalsContact C-N 3.35Å; L212-D214 PolarHBondContact O-N 3.4Å; L212-T215 PolarHBondContact O-N 3.43Å; L212-F216 HydrophobicContact CD1-CD2 4.36Å; L212-F216 HydrophobicContact CD1-CE1 4.11Å; L212-F216 HydrophobicContact CD1-CE2 3.79Å; L212-F216 HydrophobicContact CD1-CZ 3.65Å; L212-F216 HydrophobicContact CD2-CE2 3.95Å; L212-F216 HydrophobicContact CD2-CZ 4.35Å; L212-F216 HydrophobicContact CG-CD2 4.01Å; L212-F216 HydrophobicContact CG-CE2 3.54Å; L212-F216 HydrophobicContact CG-CZ 3.95Å; L212-F216 WeakPolarHBondContact O-CD2 3.47Å; L212-F216 WeakPolarHBondContact O-CG 3.26Å; L212-F216 PolarHBondContact O-N 3.06Å; L212-Q237 HydrophobicContact CB-CG 4.47Å; L212-Q237 HydrophobicContact CD2-CG 4.16Å; L212-Q237 HydrophobicContact CG-CG 4.26Å |
| 213 | G | 97.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q209 Q210 T217 | Q209-G213 PolarHBondContact O-N 3.32Å; Q210-G213 PolarHBondContact O-N 3.01Å; Q210-G213 VanDerWaalsContact O-N 3.15Å; G213-T217 WeakPolarHBondContact O-CB 3.14Å; G213-T217 PolarHBondContact O-N 3.01Å; G213-T217 PolarHBondContact O-OG1 2.99Å |
| 214 | D | 98.3 | Very high | 97.4 | Very high | 83 Ų | 83 | 65.8 Ų | 65.8 | 44% | 0.444 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.3 | -43.4 | 176.2 | -66.3 | -21.9 | 0 | 0 | 0 | 111.2 | Q210 L212 T217 D218 | Q210-D214 PolarHBondContact NE2-OD1 3.47Å; Q210-D214 PolarHBondContact NE2-OD2 3.12Å; Q210-D214 VanDerWaalsContact O-CG 3.3Å; Q210-D214 PolarHBondContact O-N 3.02Å; L212-D214 VanDerWaalsContact C-N 3.35Å; L212-D214 PolarHBondContact O-N 3.4Å; D214-T217 WeakPolarHBondContact O-CB 3.29Å; D214-T217 PolarHBondContact O-N 2.82Å; D214-D218 PolarHBondContact O-N 3.02Å |
| 215 | T | 98.5 | Very high | 97 | Very high | 76 Ų | 76 | 69.5 Ų | 69.5 | 47% | 0.466 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 176.8 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | A211 L212 T217 D218 L219 | A211-T215 WeakPolarHBondContact O-CB 3.34Å; A211-T215 PolarHBondContact O-N 2.95Å; A211-T215 PolarHBondContact O-OG1 3.43Å; L212-T215 PolarHBondContact O-N 3.43Å; T215-T217 VanDerWaalsContact C-N 3.34Å; T215-D218 PolarHBondContact O-N 3.49Å; T215-L219 HydrophobicContact CG2-CD1 4.25Å; T215-L219 WeakPolarHBondContact O-CG 3.14Å; T215-L219 PolarHBondContact O-N 3.3Å |
| 216 | F | 98.1 | Very high | 96.7 | Very high | 39 Ų | 39 | 68.3 Ų | 68.3 | 17% | 0.171 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.1 | -37 | 175.1 | -71 | -30.3 | 0 | 0 | 0 | 112.6 | L212 D218 L219 S220 F230 N233 A234 Q237 | L212-F216 HydrophobicContact CD1-CD2 4.36Å; L212-F216 HydrophobicContact CD1-CE1 4.11Å; L212-F216 HydrophobicContact CD1-CE2 3.79Å; L212-F216 HydrophobicContact CD1-CZ 3.65Å; L212-F216 HydrophobicContact CD2-CE2 3.95Å; L212-F216 HydrophobicContact CD2-CZ 4.35Å; L212-F216 HydrophobicContact CG-CD2 4.01Å; L212-F216 HydrophobicContact CG-CE2 3.54Å; L212-F216 HydrophobicContact CG-CZ 3.95Å; L212-F216 WeakPolarHBondContact O-CD2 3.47Å; L212-F216 WeakPolarHBondContact O-CG 3.26Å; L212-F216 PolarHBondContact O-N 3.06Å; F216-D218 VanDerWaalsContact C-N 3.32Å; F216-D218 PolarHBondContact O-N 3.38Å; F216-L219 PolarHBondContact O-N 2.94Å; F216-S220 WeakPolarHBondContact O-CB 3.4Å; F216-S220 PolarHBondContact O-N 3.32Å; F216-F230 HydrophobicContact CB-CD1 4.49Å; F216-F230 AromaticContact CD1-CD1 3.56Å; F216-F230 HydrophobicContact CD1-CD1 3.56Å; F216-F230 AromaticContact CD1-CE1 3.91Å; F216-F230 HydrophobicContact CD1-CE1 3.91Å; F216-F230 HydrophobicContact CE1-CD1 4.14Å; F216-F230 HydrophobicContact CE1-CE1 4.14Å; F216-F230 HydrophobicContact CG-CD1 4.33Å; F216-N233 HydrophobicContact CD2-CB 3.59Å; F216-N233 HydrophobicContact CE2-CB 3.68Å; F216-N233 HydrophobicContact CG-CB 4.21Å; F216-N233 HydrophobicContact CZ-CB 4.36Å; F216-A234 HydrophobicContact CB-CB 3.68Å; F216-Q237 HydrophobicContact CD2-CG 4.37Å; F216-Q237 HydrophobicContact CE2-CG 4.43Å |
| 217 | T | 97.9 | Very high | 96.4 | Very high | 33 Ų | 33 | 72.5 Ų | 72.5 | 20% | 0.202 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 174.9 | -57.8 | 0 | 0 | 0 | 0 | 111 | G213 D214 T215 S220 Q221 A234 K238 | G213-T217 WeakPolarHBondContact O-CB 3.14Å; G213-T217 PolarHBondContact O-N 3.01Å; G213-T217 PolarHBondContact O-OG1 2.99Å; D214-T217 WeakPolarHBondContact O-CB 3.29Å; D214-T217 PolarHBondContact O-N 2.82Å; T215-T217 VanDerWaalsContact C-N 3.34Å; T217-S220 PolarHBondContact O-N 3.3Å; T217-Q221 WeakPolarHBondContact O-CG 3.45Å; T217-Q221 PolarHBondContact O-N 3.34Å; T217-A234 WeakPolarHBondContact OG1-CB 3.46Å; T217-K238 WeakPolarHBondContact OG1-CE 3.49Å; T217-K238 PolarHBondContact OG1-NZ 3.26Å |
| 218 | D | 98.2 | Very high | 95.9 | Very high | 67 Ų | 67 | 70 Ų | 70 | 36% | 0.358 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 178.2 | -173.4 | 63.1 | 0 | 0 | 0 | 112 | D214 T215 F216 S220 Q221 K222 | D214-D218 PolarHBondContact O-N 3.02Å; T215-D218 PolarHBondContact O-N 3.49Å; F216-D218 VanDerWaalsContact C-N 3.32Å; F216-D218 PolarHBondContact O-N 3.38Å; D218-S220 PolarHBondContact O-N 2.89Å; D218-Q221 PolarHBondContact O-N 2.82Å; D218-K222 WeakPolarHBondContact O-CG 3.31Å; D218-K222 PolarHBondContact O-N 2.92Å; D218-K222 WeakPolarHBondContact OD1-CE 3.29Å; D218-K222 IonicContact OD1-NZ 2.72Å; D218-K222 PolarHBondContact OD1-NZ 2.83Å; D218-K222 WeakPolarHBondContact OD2-CE 3.18Å; D218-K222 IonicContact OD2-NZ 2.73Å; D218-K222 PolarHBondContact OD2-NZ 2.66Å |
| 219 | L | 97.9 | Very high | 95.4 | Very high | 59 Ų | 59 | 67.8 Ų | 67.8 | 31% | 0.309 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.9 | -36.3 | 179 | -71 | 173.9 | 0 | 0 | 0 | 113 | T215 F216 Q221 K222 S223 F230 | T215-L219 HydrophobicContact CG2-CD1 4.25Å; T215-L219 WeakPolarHBondContact O-CG 3.14Å; T215-L219 PolarHBondContact O-N 3.3Å; F216-L219 PolarHBondContact O-N 2.94Å; L219-Q221 VanDerWaalsContact C-N 3.28Å; L219-Q221 PolarHBondContact O-N 3.35Å; L219-K222 PolarHBondContact O-N 3.5Å; L219-S223 VanDerWaalsContact O-CB 3.31Å; L219-S223 WeakPolarHBondContact O-CB 3.13Å; L219-S223 PolarHBondContact O-N 2.68Å; L219-S223 PolarHBondContact O-OG 2.88Å; L219-S223 VanDerWaalsContact O-OG 3.07Å; L219-F230 HydrophobicContact CB-CB 4.5Å; L219-F230 HydrophobicContact CB-CD1 3.94Å; L219-F230 HydrophobicContact CB-CD2 3.77Å; L219-F230 HydrophobicContact CB-CE1 4.03Å; L219-F230 HydrophobicContact CB-CE2 3.87Å; L219-F230 HydrophobicContact CB-CG 3.82Å; L219-F230 HydrophobicContact CB-CZ 4Å; L219-F230 HydrophobicContact CD1-CD1 4.18Å; L219-F230 HydrophobicContact CD1-CE1 3.59Å; L219-F230 HydrophobicContact CD1-CE2 4.42Å; L219-F230 HydrophobicContact CD1-CZ 3.73Å; L219-F230 HydrophobicContact CG-CE1 4.46Å; L219-F230 HydrophobicContact CG-CZ 4.42Å |
| 220 | S | 96.9 | Very high | 95.3 | Very high | 16 Ų | 16 | 68.7 Ų | 68.7 | 11% | 0.112 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.4 | -42.1 | 174.4 | -179.7 | 0 | 0 | 0 | 0 | 111.4 | F216 T217 D218 Q227 | F216-S220 WeakPolarHBondContact O-CB 3.4Å; F216-S220 PolarHBondContact O-N 3.32Å; T217-S220 PolarHBondContact O-N 3.3Å; D218-S220 PolarHBondContact O-N 2.89Å; S220-Q227 WeakPolarHBondContact O-CB 3.35Å; S220-Q227 WeakPolarHBondContact O-CG 3.26Å; S220-Q227 PolarHBondContact OG-O 3.47Å |
| 221 | Q | 96.2 | Very high | 95 | Very high | 148 Ų | 148 | 66.3 Ų | 66.3 | 69% | 0.692 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -74.5 | -26.4 | -179.9 | -66.6 | 175.8 | 11.8 | 0 | 0 | 113.3 | T217 D218 L219 | T217-Q221 WeakPolarHBondContact O-CG 3.45Å; T217-Q221 PolarHBondContact O-N 3.34Å; D218-Q221 PolarHBondContact O-N 2.82Å; L219-Q221 VanDerWaalsContact C-N 3.28Å; L219-Q221 PolarHBondContact O-N 3.35Å |
| 222 | K | 96.3 | Very high | 94.6 | Very high | 138 Ų | 138 | 64.7 Ų | 64.7 | 60% | 0.6 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -100.1 | -14.2 | -173.8 | -69.2 | 174.5 | -179 | 167.3 | 0 | 114.5 | D218 L219 P224 | D218-K222 WeakPolarHBondContact O-CG 3.31Å; D218-K222 PolarHBondContact O-N 2.92Å; D218-K222 WeakPolarHBondContact OD1-CE 3.29Å; D218-K222 IonicContact OD1-NZ 2.72Å; D218-K222 PolarHBondContact OD1-NZ 2.83Å; D218-K222 WeakPolarHBondContact OD2-CE 3.18Å; D218-K222 IonicContact OD2-NZ 2.73Å; D218-K222 PolarHBondContact OD2-NZ 2.66Å; L219-K222 PolarHBondContact O-N 3.5Å; K222-P224 WeakPolarHBondContact O-CD 3.31Å |
| 223 | S | 94.3 | Very high | 94.3 | Very high | 30 Ų | 30 | 64.9 Ų | 64.9 | 21% | 0.21 | 34% | 0.337 | C | S | . | . | trans | -123.8 | 81.1 | -176.2 | -42.5 | 0 | 0 | 0 | 0 | 110.2 | L219 E225 L226 Q227 | L219-S223 VanDerWaalsContact O-CB 3.31Å; L219-S223 WeakPolarHBondContact O-CB 3.13Å; L219-S223 PolarHBondContact O-N 2.68Å; L219-S223 PolarHBondContact O-OG 2.88Å; L219-S223 VanDerWaalsContact O-OG 3.07Å; S223-E225 PolarHBondContact O-N 3.46Å; S223-E225 VanDerWaalsContact O-N 3.11Å; S223-L226 CarbonylContact O-C 3.57Å; S223-L226 PolarHBondContact O-N 3.41Å; S223-Q227 WeakPolarHBondContact O-CA 3.39Å; S223-Q227 PolarHBondContact O-N 3.5Å | ||
| 224 | P | 91.2 | Very high | 94.1 | Very high | 91 Ų | 91 | 64.9 Ų | 64.9 | 59% | 0.591 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -55.4 | -30.4 | -176.4 | -26.1 | 35.5 | 0 | 0 | 0 | 113.9 | K222 L226 | K222-P224 WeakPolarHBondContact O-CD 3.31Å; P224-L226 VanDerWaalsContact C-N 3.25Å; P224-L226 PolarHBondContact O-N 2.87Å |
| 225 | E | 91.6 | Very high | 93.8 | Very high | 141 Ų | 141 | 65.9 Ų | 65.9 | 66% | 0.659 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -71.2 | -19.3 | 178.8 | -54.5 | 81.2 | -172.3 | 0 | 0 | 113.7 | S223 | S223-E225 PolarHBondContact O-N 3.46Å; S223-E225 VanDerWaalsContact O-N 3.11Å |
| 226 | L | 91.2 | Very high | 93.6 | Very high | 73 Ų | 73 | 63.4 Ų | 63.4 | 38% | 0.382 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -127.2 | 16.6 | -178.4 | -63.6 | 175.3 | 0 | 0 | 0 | 112.2 | S223 P224 D228 E229 F230 | S223-L226 CarbonylContact O-C 3.57Å; S223-L226 PolarHBondContact O-N 3.41Å; P224-L226 VanDerWaalsContact C-N 3.25Å; P224-L226 PolarHBondContact O-N 2.87Å; L226-D228 VanDerWaalsContact C-N 3.28Å; L226-D228 PolarHBondContact O-N 3.27Å; L226-E229 VanDerWaalsContact C-OE2 3.31Å; L226-E229 VanDerWaalsContact CA-OE2 3.31Å; L226-E229 WeakPolarHBondContact CA-OE2 3.3Å; L226-E229 PolarHBondContact O-N 3.01Å; L226-F230 HydrophobicContact CB-CD2 3.73Å; L226-F230 HydrophobicContact CB-CE2 3.76Å; L226-F230 HydrophobicContact CD1-CE2 3.91Å; L226-F230 VanDerWaalsContact O-CD2 3.31Å; L226-F230 WeakPolarHBondContact O-CD2 3.14Å; L226-F230 PolarHBondContact O-N 3.09Å; L226-F230 VanDerWaalsContact O-N 3.09Å |
| 227 | Q | 91.6 | Very high | 93.5 | Very high | 99 Ų | 99 | 63 Ų | 63 | 46% | 0.463 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58 | -44.3 | -171 | 171 | 174.4 | -2.5 | 0 | 0 | 111.2 | S220 S223 G231 | S220-Q227 WeakPolarHBondContact O-CB 3.35Å; S220-Q227 WeakPolarHBondContact O-CG 3.26Å; S220-Q227 PolarHBondContact OG-O 3.47Å; S223-Q227 WeakPolarHBondContact O-CA 3.39Å; S223-Q227 PolarHBondContact O-N 3.5Å; Q227-G231 PolarHBondContact O-N 3.33Å |
| 228 | D | 86.9 | Confident | 93.3 | Very high | 64 Ų | 64 | 64.4 Ų | 64.4 | 34% | 0.342 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.5 | -47.6 | -177.2 | -83.7 | -2.6 | 0 | 0 | 0 | 111.4 | L226 F230 G231 Y232 L375 | L226-D228 VanDerWaalsContact C-N 3.28Å; L226-D228 PolarHBondContact O-N 3.27Å; D228-F230 PolarHBondContact O-N 3.34Å; D228-G231 PolarHBondContact O-N 3.49Å; D228-G231 VanDerWaalsContact O-N 3.14Å; D228-Y232 HydrophobicContact CB-CD2 4.49Å; D228-Y232 HydrophobicContact CB-CE2 3.71Å; D228-Y232 WeakPolarHBondContact O-CD2 3.22Å; D228-Y232 WeakPolarHBondContact O-CE2 3.42Å; D228-Y232 VanDerWaalsContact O-CG 3.27Å; D228-Y232 PolarHBondContact O-N 3.43Å; D228-Y232 PolarHBondContact OD2-OH 2.85Å; D228-L375 HydrophobicContact CB-CD2 4.43Å |
| 229 | E | 88.9 | Confident | 93 | Very high | 50 Ų | 50 | 62.8 Ų | 62.8 | 23% | 0.234 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 179.3 | -66.2 | 86.8 | 161.3 | 0 | 0 | 111.7 | L226 N233 L375 | L226-E229 VanDerWaalsContact C-OE2 3.31Å; L226-E229 VanDerWaalsContact CA-OE2 3.31Å; L226-E229 WeakPolarHBondContact CA-OE2 3.3Å; L226-E229 PolarHBondContact O-N 3.01Å; E229-N233 PolarHBondContact O-N 3.25Å; E229-N233 PolarHBondContact O-ND2 3.43Å; E229-L375 HydrophobicContact CG-CD2 3.84Å; E229-L375 WeakPolarHBondContact OE1-CD2 3.13Å |
| 230 | F | 94.8 | Very high | 92.8 | Very high | 46 Ų | 46 | 61.7 Ų | 61.7 | 20% | 0.202 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66 | -39.4 | 175.5 | -78.1 | -56.1 | 0 | 0 | 0 | 111.7 | F216 L219 L226 D228 N233 A234 | F216-F230 HydrophobicContact CB-CD1 4.49Å; F216-F230 AromaticContact CD1-CD1 3.56Å; F216-F230 HydrophobicContact CD1-CD1 3.56Å; F216-F230 AromaticContact CD1-CE1 3.91Å; F216-F230 HydrophobicContact CD1-CE1 3.91Å; F216-F230 HydrophobicContact CE1-CD1 4.14Å; F216-F230 HydrophobicContact CE1-CE1 4.14Å; F216-F230 HydrophobicContact CG-CD1 4.33Å; L219-F230 HydrophobicContact CB-CB 4.5Å; L219-F230 HydrophobicContact CB-CD1 3.94Å; L219-F230 HydrophobicContact CB-CD2 3.77Å; L219-F230 HydrophobicContact CB-CE1 4.03Å; L219-F230 HydrophobicContact CB-CE2 3.87Å; L219-F230 HydrophobicContact CB-CG 3.82Å; L219-F230 HydrophobicContact CB-CZ 4Å; L219-F230 HydrophobicContact CD1-CD1 4.18Å; L219-F230 HydrophobicContact CD1-CE1 3.59Å; L219-F230 HydrophobicContact CD1-CE2 4.42Å; L219-F230 HydrophobicContact CD1-CZ 3.73Å; L219-F230 HydrophobicContact CG-CE1 4.46Å; L219-F230 HydrophobicContact CG-CZ 4.42Å; L226-F230 HydrophobicContact CB-CD2 3.73Å; L226-F230 HydrophobicContact CB-CE2 3.76Å; L226-F230 HydrophobicContact CD1-CE2 3.91Å; L226-F230 VanDerWaalsContact O-CD2 3.31Å; L226-F230 WeakPolarHBondContact O-CD2 3.14Å; L226-F230 PolarHBondContact O-N 3.09Å; L226-F230 VanDerWaalsContact O-N 3.09Å; D228-F230 PolarHBondContact O-N 3.34Å; F230-N233 PolarHBondContact O-N 3.42Å; F230-A234 WeakPolarHBondContact O-CB 3.45Å; F230-A234 PolarHBondContact O-N 3.26Å |
| 231 | G | 92.4 | Very high | 92.8 | Very high | 18 Ų | 18 | 61 Ų | 61 | 19% | 0.186 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60 | -49.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q227 D228 N233 A234 E235 | Q227-G231 PolarHBondContact O-N 3.33Å; D228-G231 PolarHBondContact O-N 3.49Å; D228-G231 VanDerWaalsContact O-N 3.14Å; G231-N233 VanDerWaalsContact C-N 3.34Å; G231-N233 PolarHBondContact O-N 2.94Å; G231-A234 WeakPolarHBondContact O-CB 3.27Å; G231-A234 PolarHBondContact O-N 2.9Å; G231-E235 WeakPolarHBondContact O-CG 3.4Å; G231-E235 PolarHBondContact O-N 3.06Å |
| 232 | Y | 88.9 | Confident | 92.7 | Very high | 20 Ų | 20 | 60.5 Ų | 60.5 | 8% | 0.078 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 179.1 | -58.4 | -46.6 | 0 | 0 | 0 | 112.5 | D228 T236 Q370 F371 K374 | D228-Y232 HydrophobicContact CB-CD2 4.49Å; D228-Y232 HydrophobicContact CB-CE2 3.71Å; D228-Y232 WeakPolarHBondContact O-CD2 3.22Å; D228-Y232 WeakPolarHBondContact O-CE2 3.42Å; D228-Y232 VanDerWaalsContact O-CG 3.27Å; D228-Y232 PolarHBondContact O-N 3.43Å; D228-Y232 PolarHBondContact OD2-OH 2.85Å; Y232-T236 PolarHBondContact O-N 3.38Å; Y232-T236 PolarHBondContact O-OG1 3.49Å; Y232-Q370 HydrophobicContact CE1-CB 4.24Å; Y232-F371 AromaticContact CD2-CD2 3.7Å; Y232-F371 HydrophobicContact CD2-CD2 3.7Å; Y232-F371 HydrophobicContact CD2-CE2 4.43Å; Y232-F371 HydrophobicContact CE2-CD2 4.36Å; Y232-F371 HydrophobicContact CG-CD2 4.39Å; Y232-K374 VanDerWaalsContact OH-CB 3.24Å; Y232-K374 WeakPolarHBondContact OH-CB 3.27Å; Y232-K374 WeakPolarHBondContact OH-CD 3.43Å |
| 233 | N | 91.9 | Very high | 92.6 | Very high | 71 Ų | 71 | 56 Ų | 56 | 38% | 0.38 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.6 | -39.9 | 177 | -80.1 | -79.2 | 0 | 0 | 0 | 111.5 | F216 E229 F230 G231 T236 Q237 | F216-N233 HydrophobicContact CD2-CB 3.59Å; F216-N233 HydrophobicContact CE2-CB 3.68Å; F216-N233 HydrophobicContact CG-CB 4.21Å; F216-N233 HydrophobicContact CZ-CB 4.36Å; E229-N233 PolarHBondContact O-N 3.25Å; E229-N233 PolarHBondContact O-ND2 3.43Å; F230-N233 PolarHBondContact O-N 3.42Å; G231-N233 VanDerWaalsContact C-N 3.34Å; G231-N233 PolarHBondContact O-N 2.94Å; N233-T236 PolarHBondContact O-N 3.41Å; N233-Q237 WeakPolarHBondContact O-CG 3.39Å; N233-Q237 PolarHBondContact O-N 3.01Å; N233-Q237 VanDerWaalsContact O-N 3.08Å |
| 234 | A | 94.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.6 | -49.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F216 T217 F230 G231 T236 Q237 K238 | F216-A234 HydrophobicContact CB-CB 3.68Å; T217-A234 WeakPolarHBondContact OG1-CB 3.46Å; F230-A234 WeakPolarHBondContact O-CB 3.45Å; F230-A234 PolarHBondContact O-N 3.26Å; G231-A234 WeakPolarHBondContact O-CB 3.27Å; G231-A234 PolarHBondContact O-N 2.9Å; A234-T236 VanDerWaalsContact C-N 3.34Å; A234-T236 PolarHBondContact O-N 3.4Å; A234-Q237 PolarHBondContact O-N 2.93Å; A234-K238 WeakPolarHBondContact O-CG 3.46Å; A234-K238 PolarHBondContact O-N 3.45Å |
| 235 | E | 91.9 | Very high | 93 | Very high | 103 Ų | 103 | 56.4 Ų | 56.4 | 48% | 0.481 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.3 | -37.4 | -179.7 | -67.3 | -52.4 | 118.7 | 0 | 0 | 112.1 | G231 Q237 K238 L239 | G231-E235 WeakPolarHBondContact O-CG 3.4Å; G231-E235 PolarHBondContact O-N 3.06Å; E235-Q237 PolarHBondContact O-N 2.75Å; E235-K238 PolarHBondContact O-N 2.92Å; E235-K238 IonicContact OE1-NZ 2.84Å; E235-K238 PolarHBondContact OE1-NZ 2.94Å; E235-L239 VanDerWaalsContact O-CB 3.31Å; E235-L239 WeakPolarHBondContact O-CB 3.34Å; E235-L239 PolarHBondContact O-N 2.92Å |
| 236 | T | 93.3 | Very high | 93.2 | Very high | 24 Ų | 24 | 53 Ų | 53 | 15% | 0.147 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.3 | -46 | 173.4 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | Y232 N233 A234 L240 L364 | Y232-T236 PolarHBondContact O-N 3.38Å; Y232-T236 PolarHBondContact O-OG1 3.49Å; N233-T236 PolarHBondContact O-N 3.41Å; A234-T236 VanDerWaalsContact C-N 3.34Å; A234-T236 PolarHBondContact O-N 3.4Å; T236-L240 HydrophobicContact CG2-CD1 4.25Å; T236-L240 WeakPolarHBondContact O-CG 3.1Å; T236-L240 PolarHBondContact O-N 3.39Å; T236-L240 VanDerWaalsContact O-N 3.12Å; T236-L364 HydrophobicContact CG2-CD1 3.87Å |
| 237 | Q | 95.9 | Very high | 93.6 | Very high | 31 Ų | 31 | 50 Ų | 50 | 15% | 0.145 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.9 | -45.2 | 179.9 | -64.9 | -56 | -23.6 | 0 | 0 | 112.3 | Q209 L212 F216 N233 A234 E235 L239 L240 C241 | Q209-Q237 WeakPolarHBondContact O-CB 3.47Å; L212-Q237 HydrophobicContact CB-CG 4.47Å; L212-Q237 HydrophobicContact CD2-CG 4.16Å; L212-Q237 HydrophobicContact CG-CG 4.26Å; F216-Q237 HydrophobicContact CD2-CG 4.37Å; F216-Q237 HydrophobicContact CE2-CG 4.43Å; N233-Q237 WeakPolarHBondContact O-CG 3.39Å; N233-Q237 PolarHBondContact O-N 3.01Å; N233-Q237 VanDerWaalsContact O-N 3.08Å; A234-Q237 PolarHBondContact O-N 2.93Å; E235-Q237 PolarHBondContact O-N 2.75Å; Q237-L239 VanDerWaalsContact C-N 3.28Å; Q237-L239 PolarHBondContact O-N 2.87Å; Q237-L240 PolarHBondContact O-N 2.93Å; Q237-C241 PolarHBondContact O-N 2.99Å; Q237-C241 PolarHBondContact O-SG 3.37Å |
| 238 | K | 93.9 | Very high | 93.9 | Very high | 63 Ų | 63 | 46.2 Ų | 46.2 | 27% | 0.274 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.6 | -40.8 | 177.9 | -70.8 | 174 | -168.5 | 161.9 | 0 | 112.3 | T217 A234 E235 C241 K242 | T217-K238 WeakPolarHBondContact OG1-CE 3.49Å; T217-K238 PolarHBondContact OG1-NZ 3.26Å; A234-K238 WeakPolarHBondContact O-CG 3.46Å; A234-K238 PolarHBondContact O-N 3.45Å; E235-K238 PolarHBondContact O-N 2.92Å; E235-K238 IonicContact OE1-NZ 2.84Å; E235-K238 PolarHBondContact OE1-NZ 2.94Å; K238-C241 WeakPolarHBondContact O-CB 3.45Å; K238-C241 PolarHBondContact O-N 3.23Å; K238-K242 PolarHBondContact O-N 3.34Å |
| 239 | L | 92.3 | Very high | 94.4 | Very high | 33 Ų | 33 | 45.2 Ų | 45.2 | 17% | 0.173 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.3 | -49.9 | 175.2 | 166.8 | 67.4 | 0 | 0 | 0 | 112.1 | E235 Q237 C241 K242 N243 Q363 | E235-L239 VanDerWaalsContact O-CB 3.31Å; E235-L239 WeakPolarHBondContact O-CB 3.34Å; E235-L239 PolarHBondContact O-N 2.92Å; Q237-L239 VanDerWaalsContact C-N 3.28Å; Q237-L239 PolarHBondContact O-N 2.87Å; L239-C241 PolarHBondContact O-N 3.2Å; L239-K242 PolarHBondContact O-N 2.61Å; L239-N243 PolarHBondContact O-N 3.37Å; L239-N243 VanDerWaalsContact O-N 3.1Å; L239-Q363 HydrophobicContact CD1-CB 4.13Å; L239-Q363 HydrophobicContact CD1-CG 3.58Å; L239-Q363 HydrophobicContact CD2-CB 3.56Å; L239-Q363 HydrophobicContact CD2-CG 3.22Å; L239-Q363 HydrophobicContact CG-CB 4.38Å; L239-Q363 HydrophobicContact CG-CG 3.95Å |
| 240 | L | 94.7 | Very high | 94.9 | Very high | 35 Ų | 35 | 44.3 Ų | 44.3 | 18% | 0.183 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.7 | -37.5 | 178.9 | -70.1 | 172.8 | 0 | 0 | 0 | 111.2 | T236 Q237 G244 N360 | T236-L240 HydrophobicContact CG2-CD1 4.25Å; T236-L240 WeakPolarHBondContact O-CG 3.1Å; T236-L240 PolarHBondContact O-N 3.39Å; T236-L240 VanDerWaalsContact O-N 3.12Å; Q237-L240 PolarHBondContact O-N 2.93Å; L240-G244 PolarHBondContact O-N 2.95Å; L240-N360 HydrophobicContact CD2-CB 4.04Å |
| 241 | C | 96 | Very high | 95 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.6 | -53.2 | 173.8 | -65.9 | 0 | 0 | 0 | 0 | 112.1 | V206 Q209 Q210 Q237 K238 L239 N243 G244 E245 | V206-C241 HydrophobicContact CG1-CB 4.35Å; V206-C241 PolarHBondContact O-SG 3.03Å; Q209-C241 VanDerWaalsContact C-SG 3.53Å; Q209-C241 WeakPolarHBondContact CB-SG 3.42Å; Q210-C241 VanDerWaalsContact CA-SG 3.51Å; Q210-C241 PolarHBondContact N-SG 3.43Å; Q237-C241 PolarHBondContact O-N 2.99Å; Q237-C241 PolarHBondContact O-SG 3.37Å; K238-C241 WeakPolarHBondContact O-CB 3.45Å; K238-C241 PolarHBondContact O-N 3.23Å; L239-C241 PolarHBondContact O-N 3.2Å; C241-N243 VanDerWaalsContact C-N 3.32Å; C241-N243 PolarHBondContact O-N 2.76Å; C241-G244 CarbonylContact O-C 3.4Å; C241-G244 WeakPolarHBondContact O-CA 3.18Å; C241-G244 PolarHBondContact O-N 2.86Å; C241-E245 PolarHBondContact O-N 2.98Å |
| 242 | K | 93.4 | Very high | 95.3 | Very high | 138 Ų | 138 | 44.9 Ų | 44.9 | 60% | 0.6 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -55.8 | -46.7 | -178.9 | -178.5 | -176.6 | 176.2 | -177.3 | 0 | 111.8 | K238 L239 G244 | K238-K242 PolarHBondContact O-N 3.34Å; L239-K242 PolarHBondContact O-N 2.61Å; K242-G244 VanDerWaalsContact C-N 3.32Å |
| 243 | N | 94.8 | Very high | 95.8 | Very high | 43 Ų | 43 | 49.1 Ų | 49.1 | 23% | 0.23 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.6 | -32.4 | 177.7 | -70.8 | -8.7 | 0 | 0 | 0 | 111.7 | L239 C241 A246 L247 Y356 N360 | L239-N243 PolarHBondContact O-N 3.37Å; L239-N243 VanDerWaalsContact O-N 3.1Å; C241-N243 VanDerWaalsContact C-N 3.32Å; C241-N243 PolarHBondContact O-N 2.76Å; N243-A246 PolarHBondContact O-N 3.27Å; N243-L247 PolarHBondContact O-N 3.33Å; N243-L247 VanDerWaalsContact O-N 3.16Å; N243-Y356 HydrophobicContact CB-CD2 4.01Å; N243-Y356 HydrophobicContact CB-CE2 4.14Å; N243-N360 WeakPolarHBondContact CB-OD1 3.47Å; N243-N360 PolarHBondContact ND2-OD1 3.36Å |
| 244 | G | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64 | -40 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L240 C241 K242 A246 L247 L248 | L240-G244 PolarHBondContact O-N 2.95Å; C241-G244 CarbonylContact O-C 3.4Å; C241-G244 WeakPolarHBondContact O-CA 3.18Å; C241-G244 PolarHBondContact O-N 2.86Å; K242-G244 VanDerWaalsContact C-N 3.32Å; G244-A246 PolarHBondContact O-N 2.9Å; G244-L247 PolarHBondContact O-N 3.24Å; G244-L248 WeakPolarHBondContact O-CG 3.33Å; G244-L248 PolarHBondContact O-N 3.46Å |
| 245 | E | 96.3 | Very high | 96.3 | Very high | 129 Ų | 129 | 47 Ų | 47 | 60% | 0.603 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -61 | -42.9 | 175.1 | -70.8 | -176.4 | 163.8 | 0 | 0 | 112.1 | V206 C241 L247 L248 G249 | V206-E245 HydrophobicContact CG1-CG 4.46Å; C241-E245 PolarHBondContact O-N 2.98Å; E245-L247 PolarHBondContact O-N 3.02Å; E245-L248 PolarHBondContact O-N 3.18Å; E245-G249 PolarHBondContact O-N 3.13Å |
| 246 | A | 96.6 | Very high | 96.6 | Very high | 71 Ų | 71 | 45.5 Ų | 45.5 | 59% | 0.587 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62 | -43.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N243 G244 G249 A250 | N243-A246 PolarHBondContact O-N 3.27Å; G244-A246 PolarHBondContact O-N 2.9Å; A246-G249 PolarHBondContact O-N 3Å; A246-A250 PolarHBondContact O-N 2.79Å; A246-A250 VanDerWaalsContact O-N 3.12Å |
| 247 | L | 98.3 | Very high | 96.9 | Very high | 10 Ų | 10 | 45.5 Ų | 45.5 | 5% | 0.052 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 176.1 | 177.5 | 59.9 | 0 | 0 | 0 | 111.9 | F202 N243 G244 E245 G249 A250 I251 A352 I353 Y356 | F202-L247 HydrophobicContact CD1-CD2 4.41Å; F202-L247 HydrophobicContact CE1-CB 4.07Å; F202-L247 HydrophobicContact CE1-CD2 3.69Å; F202-L247 HydrophobicContact CE1-CG 4.02Å; F202-L247 HydrophobicContact CZ-CD2 3.82Å; N243-L247 PolarHBondContact O-N 3.33Å; N243-L247 VanDerWaalsContact O-N 3.16Å; G244-L247 PolarHBondContact O-N 3.24Å; E245-L247 PolarHBondContact O-N 3.02Å; L247-G249 VanDerWaalsContact C-N 3.28Å; L247-G249 PolarHBondContact O-N 3.44Å; L247-A250 PolarHBondContact O-N 3.39Å; L247-A250 VanDerWaalsContact O-N 3.15Å; L247-I251 HydrophobicContact CD1-CD1 3.93Å; L247-I251 HydrophobicContact CD1-CG1 3.98Å; L247-I251 HydrophobicContact CD2-CD1 4.39Å; L247-I251 HydrophobicContact CG-CD1 3.84Å; L247-I251 HydrophobicContact CG-CG1 4.31Å; L247-I251 WeakPolarHBondContact O-CG1 3.24Å; L247-I251 PolarHBondContact O-N 3.19Å; L247-A352 HydrophobicContact CD1-CB 3.99Å; L247-I353 HydrophobicContact CD1-CD1 3.85Å; L247-I353 HydrophobicContact CD1-CG1 4.32Å; L247-I353 HydrophobicContact CD2-CD1 4.16Å; L247-Y356 HydrophobicContact CB-CD2 4.04Å; L247-Y356 HydrophobicContact CB-CG 4.26Å; L247-Y356 HydrophobicContact CD2-CD1 3.76Å; L247-Y356 HydrophobicContact CD2-CD2 3.99Å; L247-Y356 HydrophobicContact CD2-CE1 4.32Å; L247-Y356 HydrophobicContact CD2-CG 3.57Å; L247-Y356 HydrophobicContact CG-CG 4.46Å |
| 248 | L | 98.4 | Very high | 97 | Very high | 19 Ų | 19 | 44 Ų | 44 | 10% | 0.099 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.6 | -43.3 | 174.7 | -79.3 | 168.3 | 0 | 0 | 0 | 111.5 | I199 F202 Q203 V206 G244 E245 A250 I251 N252 | I199-L248 HydrophobicContact CG2-CD2 4.06Å; F202-L248 HydrophobicContact CB-CD2 4.33Å; F202-L248 HydrophobicContact CD1-CD1 4.47Å; F202-L248 HydrophobicContact CD1-CD2 3.7Å; F202-L248 HydrophobicContact CD1-CG 3.71Å; F202-L248 HydrophobicContact CE1-CG 4.11Å; F202-L248 HydrophobicContact CG-CD2 4.49Å; Q203-L248 HydrophobicContact CB-CD1 4.25Å; Q203-L248 HydrophobicContact CB-CD2 4.11Å; Q203-L248 HydrophobicContact CG-CD1 4.44Å; V206-L248 HydrophobicContact CB-CD1 4.49Å; V206-L248 HydrophobicContact CG2-CD1 4.27Å; G244-L248 WeakPolarHBondContact O-CG 3.33Å; G244-L248 PolarHBondContact O-N 3.46Å; E245-L248 PolarHBondContact O-N 3.18Å; L248-A250 PolarHBondContact O-N 3.41Å; L248-I251 PolarHBondContact O-N 2.77Å; L248-N252 WeakPolarHBondContact O-CB 3.23Å; L248-N252 PolarHBondContact O-N 3.48Å; L248-N252 PolarHBondContact O-ND2 2.99Å |
| 249 | G | 98.1 | Very high | 97.2 | Very high | 43 Ų | 43 | 44.2 Ų | 44.2 | 44% | 0.443 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.2 | -46.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | E245 A246 L247 N252 F253 | E245-G249 PolarHBondContact O-N 3.13Å; A246-G249 PolarHBondContact O-N 3Å; L247-G249 VanDerWaalsContact C-N 3.28Å; L247-G249 PolarHBondContact O-N 3.44Å; G249-N252 PolarHBondContact O-N 3.41Å; G249-F253 PolarHBondContact O-N 2.97Å |
| 250 | A | 98.4 | Very high | 97.5 | Very high | 31 Ų | 31 | 45.4 Ų | 45.4 | 26% | 0.256 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | A246 L247 L248 F253 F254 A352 | A246-A250 PolarHBondContact O-N 2.79Å; A246-A250 VanDerWaalsContact O-N 3.12Å; L247-A250 PolarHBondContact O-N 3.39Å; L247-A250 VanDerWaalsContact O-N 3.15Å; L248-A250 PolarHBondContact O-N 3.41Å; A250-F253 PolarHBondContact O-N 3.47Å; A250-F254 PolarHBondContact O-N 2.92Å; A250-A352 HydrophobicContact CB-CB 3.45Å; A250-A352 VanDerWaalsContact CB-CB 3.45Å |
| 251 | I | 98.4 | Very high | 97.7 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.015 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.3 | -38.6 | 178.6 | -57.2 | 169.5 | 0 | 0 | 0 | 110.7 | L198 I199 L247 L248 F253 F254 V255 F349 I353 | L198-I251 HydrophobicContact CD2-CD1 4.12Å; L198-I251 HydrophobicContact CG-CD1 4.45Å; I199-I251 HydrophobicContact CD1-CB 4.43Å; I199-I251 HydrophobicContact CD1-CG2 3.8Å; I199-I251 HydrophobicContact CG1-CB 4Å; I199-I251 HydrophobicContact CG1-CG2 3.45Å; I199-I251 VanDerWaalsContact CG1-CG2 3.45Å; L247-I251 HydrophobicContact CD1-CD1 3.93Å; L247-I251 HydrophobicContact CD1-CG1 3.98Å; L247-I251 HydrophobicContact CD2-CD1 4.39Å; L247-I251 HydrophobicContact CG-CD1 3.84Å; L247-I251 HydrophobicContact CG-CG1 4.31Å; L247-I251 WeakPolarHBondContact O-CG1 3.24Å; L247-I251 PolarHBondContact O-N 3.19Å; L248-I251 PolarHBondContact O-N 2.77Å; I251-F253 VanDerWaalsContact C-N 3.32Å; I251-F253 PolarHBondContact O-N 3.36Å; I251-F254 WeakPolarHBondContact O-CB 3.07Å; I251-F254 PolarHBondContact O-N 3.18Å; I251-V255 WeakPolarHBondContact O-CG2 3.48Å; I251-V255 PolarHBondContact O-N 3.48Å; I251-F349 HydrophobicContact CG1-CD2 4.41Å; I251-F349 HydrophobicContact CG1-CE2 3.97Å; I251-F349 HydrophobicContact CG2-CE2 4.07Å; I251-I353 HydrophobicContact CD1-CD1 4.48Å |
| 252 | N | 98.4 | Very high | 97.9 | Very high | 73 Ų | 73 | 43.8 Ų | 43.8 | 39% | 0.39 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.1 | -39.1 | 174.1 | -85.4 | -75.7 | 0 | 0 | 0 | 112.4 | L248 G249 V255 S256 | L248-N252 WeakPolarHBondContact O-CB 3.23Å; L248-N252 PolarHBondContact O-N 3.48Å; L248-N252 PolarHBondContact O-ND2 2.99Å; G249-N252 PolarHBondContact O-N 3.41Å; N252-V255 PolarHBondContact O-N 3.35Å; N252-S256 WeakPolarHBondContact O-CB 3.38Å; N252-S256 PolarHBondContact O-N 2.9Å; N252-S256 PolarHBondContact O-OG 3.32Å |
| 253 | F | 98.5 | Very high | 98.1 | Very high | 109 Ų | 109 | 40.9 Ų | 40.9 | 48% | 0.478 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.1 | -43.5 | 174.6 | 178.6 | -99.8 | 0 | 0 | 0 | 112.1 | G249 A250 I251 S256 S257 L348 | G249-F253 PolarHBondContact O-N 2.97Å; A250-F253 PolarHBondContact O-N 3.47Å; I251-F253 VanDerWaalsContact C-N 3.32Å; I251-F253 PolarHBondContact O-N 3.36Å; F253-S256 PolarHBondContact O-N 3.48Å; F253-S257 WeakPolarHBondContact O-CB 3.27Å; F253-S257 PolarHBondContact O-N 2.9Å; F253-S257 PolarHBondContact O-OG 3.29Å; F253-L348 HydrophobicContact CE1-CD1 4.01Å |
| 254 | F | 98.8 | Very high | 98.3 | Very high | 7 Ų | 7 | 45.6 Ų | 45.6 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.5 | -51.3 | 173.1 | 171.1 | -96.2 | 0 | 0 | 0 | 111.5 | I191 A195 A250 I251 S256 S257 V258 Q345 L346 F349 | I191-F254 HydrophobicContact CG2-CE1 3.99Å; I191-F254 HydrophobicContact CG2-CZ 4Å; A195-F254 HydrophobicContact CB-CD1 4.34Å; A195-F254 HydrophobicContact CB-CE1 4.21Å; A250-F254 PolarHBondContact O-N 2.92Å; I251-F254 WeakPolarHBondContact O-CB 3.07Å; I251-F254 PolarHBondContact O-N 3.18Å; F254-S256 VanDerWaalsContact C-N 3.33Å; F254-S256 PolarHBondContact O-N 3.12Å; F254-S257 PolarHBondContact O-N 3.49Å; F254-V258 HydrophobicContact CD1-CG2 4.49Å; F254-V258 HydrophobicContact CD2-CG2 4.14Å; F254-V258 HydrophobicContact CE1-CG2 4.13Å; F254-V258 HydrophobicContact CE2-CG2 3.74Å; F254-V258 HydrophobicContact CG-CG2 4.49Å; F254-V258 HydrophobicContact CZ-CG2 3.74Å; F254-V258 WeakPolarHBondContact O-CG2 3.33Å; F254-V258 PolarHBondContact O-N 2.92Å; F254-Q345 HydrophobicContact CD2-CB 3.82Å; F254-Q345 WeakPolarHBondContact CD2-O 3.45Å; F254-Q345 HydrophobicContact CE2-CB 3.99Å; F254-L346 HydrophobicContact CE2-CD2 4.33Å; F254-F349 HydrophobicContact CB-CD2 4.17Å; F254-F349 AromaticContact CD1-CD2 3.97Å; F254-F349 HydrophobicContact CD1-CD2 3.97Å; F254-F349 HydrophobicContact CD1-CE2 4.43Å; F254-F349 HydrophobicContact CD2-CB 3.83Å; F254-F349 HydrophobicContact CD2-CD2 4.21Å; F254-F349 HydrophobicContact CD2-CG 4.31Å; F254-F349 HydrophobicContact CE1-CD2 4.44Å; F254-F349 HydrophobicContact CE2-CB 4.22Å; F254-F349 HydrophobicContact CG-CB 4.27Å; F254-F349 AromaticContact CG-CD2 3.85Å; F254-F349 HydrophobicContact CG-CD2 3.85Å; F254-F349 HydrophobicContact CG-CG 4.4Å |
| 255 | V | 98.7 | Very high | 98.3 | Very high | 21 Ų | 21 | 47.8 Ų | 47.8 | 13% | 0.127 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.8 | -45 | 178.7 | 168.2 | 0 | 0 | 0 | 0 | 111.3 | L192 A195 I199 I251 N252 S257 N259 | L192-V255 HydrophobicContact CD2-CB 4.5Å; L192-V255 HydrophobicContact CD2-CG1 4.04Å; L192-V255 WeakPolarHBondContact CD2-O 3.39Å; A195-V255 HydrophobicContact CB-CG2 3.56Å; I199-V255 HydrophobicContact CD1-CB 4.42Å; I199-V255 HydrophobicContact CD1-CG2 3.78Å; I251-V255 WeakPolarHBondContact O-CG2 3.48Å; I251-V255 PolarHBondContact O-N 3.48Å; N252-V255 PolarHBondContact O-N 3.35Å; V255-S257 VanDerWaalsContact C-N 3.34Å; V255-S257 PolarHBondContact O-N 3.39Å; V255-N259 WeakPolarHBondContact O-CB 3.26Å; V255-N259 PolarHBondContact O-N 2.79Å |
| 256 | S | 98.7 | Very high | 98.4 | Very high | 71 Ų | 71 | 41.7 Ų | 41.7 | 50% | 0.497 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.8 | -40.5 | -179.8 | -62.1 | 0 | 0 | 0 | 0 | 112.6 | N252 F253 F254 T260 | N252-S256 WeakPolarHBondContact O-CB 3.38Å; N252-S256 PolarHBondContact O-N 2.9Å; N252-S256 PolarHBondContact O-OG 3.32Å; F253-S256 PolarHBondContact O-N 3.48Å; F254-S256 VanDerWaalsContact C-N 3.33Å; F254-S256 PolarHBondContact O-N 3.12Å; S256-T260 PolarHBondContact O-N 2.73Å; S256-T260 VanDerWaalsContact O-N 3.13Å; S256-T260 PolarHBondContact O-OG1 2.93Å |
| 257 | S | 98.5 | Very high | 98.5 | Very high | 24 Ų | 24 | 40.7 Ų | 40.7 | 17% | 0.168 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -70.2 | -47.2 | 180 | -61.3 | 0 | 0 | 0 | 0 | 111.8 | F253 F254 V255 N259 T260 L261 Q345 | F253-S257 WeakPolarHBondContact O-CB 3.27Å; F253-S257 PolarHBondContact O-N 2.9Å; F253-S257 PolarHBondContact O-OG 3.29Å; F254-S257 PolarHBondContact O-N 3.49Å; V255-S257 VanDerWaalsContact C-N 3.34Å; V255-S257 PolarHBondContact O-N 3.39Å; S257-N259 VanDerWaalsContact C-N 3.33Å; S257-N259 PolarHBondContact O-N 3.03Å; S257-T260 WeakPolarHBondContact O-CB 3.32Å; S257-T260 PolarHBondContact O-N 3.37Å; S257-L261 PolarHBondContact O-N 2.88Å; S257-L261 VanDerWaalsContact O-N 3.16Å; S257-Q345 PolarHBondContact OG-NE2 3.33Å; S257-Q345 PolarHBondContact OG-OE1 3.36Å |
| 258 | V | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66 | -37.2 | 176.9 | 177.8 | 0 | 0 | 0 | 0 | 110.9 | L192 F254 T260 L261 V262 M342 Q345 | L192-V258 HydrophobicContact CD1-CG1 4.27Å; L192-V258 HydrophobicContact CD2-CB 3.85Å; L192-V258 HydrophobicContact CD2-CG1 3.83Å; L192-V258 HydrophobicContact CG-CB 4.43Å; L192-V258 HydrophobicContact CG-CG1 3.85Å; F254-V258 HydrophobicContact CD1-CG2 4.49Å; F254-V258 HydrophobicContact CD2-CG2 4.14Å; F254-V258 HydrophobicContact CE1-CG2 4.13Å; F254-V258 HydrophobicContact CE2-CG2 3.74Å; F254-V258 HydrophobicContact CG-CG2 4.49Å; F254-V258 HydrophobicContact CZ-CG2 3.74Å; F254-V258 WeakPolarHBondContact O-CG2 3.33Å; F254-V258 PolarHBondContact O-N 2.92Å; V258-T260 VanDerWaalsContact C-N 3.28Å; V258-T260 PolarHBondContact O-N 3.29Å; V258-L261 PolarHBondContact O-N 3.04Å; V258-V262 HydrophobicContact CG1-CG2 4.15Å; V258-V262 WeakPolarHBondContact O-CG2 3.12Å; V258-V262 PolarHBondContact O-N 2.95Å; V258-M342 HydrophobicContact CG1-SD 4.5Å; V258-M342 HydrophobicContact CG2-SD 4.02Å; V258-Q345 HydrophobicContact CG2-CB 4.5Å |
| 259 | N | 98.7 | Very high | 98.5 | Very high | 66 Ų | 66 | 43.8 Ų | 43.8 | 35% | 0.353 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61 | -38.2 | 175.2 | -179.8 | 72.8 | 0 | 0 | 0 | 111.8 | L192 V255 S257 N263 | L192-N259 HydrophobicContact CD1-CB 4.28Å; L192-N259 HydrophobicContact CD2-CB 4.1Å; V255-N259 WeakPolarHBondContact O-CB 3.26Å; V255-N259 PolarHBondContact O-N 2.79Å; S257-N259 VanDerWaalsContact C-N 3.33Å; S257-N259 PolarHBondContact O-N 3.03Å; N259-N263 WeakPolarHBondContact O-CB 3.34Å; N259-N263 PolarHBondContact O-N 3.16Å; N259-N263 PolarHBondContact OD1-ND2 3.16Å |
| 260 | T | 98.8 | Very high | 98.6 | Very high | 59 Ų | 59 | 42.4 Ų | 42.4 | 36% | 0.362 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.5 | -46.1 | 174.4 | -67.6 | 0 | 0 | 0 | 0 | 111.5 | S256 S257 V258 V262 K264 T265 | S256-T260 PolarHBondContact O-N 2.73Å; S256-T260 VanDerWaalsContact O-N 3.13Å; S256-T260 PolarHBondContact O-OG1 2.93Å; S257-T260 WeakPolarHBondContact O-CB 3.32Å; S257-T260 PolarHBondContact O-N 3.37Å; V258-T260 VanDerWaalsContact C-N 3.28Å; V258-T260 PolarHBondContact O-N 3.29Å; T260-V262 VanDerWaalsContact C-N 3.35Å; T260-V262 PolarHBondContact O-N 3.35Å; T260-K264 HydrophobicContact CG2-CD 4.21Å; T260-K264 WeakPolarHBondContact O-CA 3.49Å; T260-K264 VanDerWaalsContact O-CB 3.27Å; T260-K264 WeakPolarHBondContact O-CB 3.23Å; T260-K264 PolarHBondContact O-N 2.73Å; T260-T265 PolarHBondContact O-N 3.25Å; T260-T265 VanDerWaalsContact O-N 3.16Å |
| 261 | L | 98.7 | Very high | 98.6 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -58.2 | -47 | 176.5 | 178 | 63.9 | 0 | 0 | 0 | 111.7 | Y188 S257 V258 T265 M266 K338 V341 M342 | Y188-L261 HydrophobicContact CD2-CD2 4.18Å; Y188-L261 HydrophobicContact CE2-CD2 3.9Å; S257-L261 PolarHBondContact O-N 2.88Å; S257-L261 VanDerWaalsContact O-N 3.16Å; V258-L261 PolarHBondContact O-N 3.04Å; L261-T265 HydrophobicContact CD1-CG2 4.47Å; L261-T265 WeakPolarHBondContact O-CB 3.49Å; L261-T265 PolarHBondContact O-N 3.43Å; L261-M266 HydrophobicContact CD2-CE 4.42Å; L261-M266 HydrophobicContact CG-CE 4.23Å; L261-M266 WeakPolarHBondContact O-CG 3.45Å; L261-M266 PolarHBondContact O-N 3.03Å; L261-K338 HydrophobicContact CD1-CB 4.42Å; L261-K338 HydrophobicContact CD2-CG 4.22Å; L261-V341 HydrophobicContact CB-CG1 4.31Å; L261-V341 HydrophobicContact CD2-CB 4.28Å; L261-V341 HydrophobicContact CD2-CG1 4.07Å; L261-M342 HydrophobicContact CD2-CG 3.66Å; L261-M342 HydrophobicContact CD2-SD 3.83Å |
| 262 | V | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -74.8 | -52.1 | -175 | 173 | 0 | 0 | 0 | 0 | 112.5 | K185 Y188 E189 L192 V258 T260 M266 | K185-V262 HydrophobicContact CG-CG1 4.06Å; Y188-V262 VanDerWaalsContact CB-CG2 3.47Å; Y188-V262 HydrophobicContact CD2-CG2 4.1Å; Y188-V262 HydrophobicContact CG-CG2 4.33Å; E189-V262 HydrophobicContact CG-CG1 3.67Å; L192-V262 HydrophobicContact CD1-CB 4.16Å; L192-V262 HydrophobicContact CD1-CG1 4.35Å; L192-V262 HydrophobicContact CD1-CG2 4.15Å; V258-V262 HydrophobicContact CG1-CG2 4.15Å; V258-V262 WeakPolarHBondContact O-CG2 3.12Å; V258-V262 PolarHBondContact O-N 2.95Å; T260-V262 VanDerWaalsContact C-N 3.35Å; T260-V262 PolarHBondContact O-N 3.35Å; V262-M266 HydrophobicContact CG2-SD 4.36Å |
| 263 | N | 98.4 | Very high | 98.6 | Very high | 76 Ų | 76 | 42 Ų | 42 | 41% | 0.406 | 22% | 0.222 | S | C | . | . | I | π-helix | trans | -94.3 | -7.5 | -169 | -70.7 | -38.9 | 0 | 0 | 0 | 113.9 | N259 | N259-N263 WeakPolarHBondContact O-CB 3.34Å; N259-N263 PolarHBondContact O-N 3.16Å; N259-N263 PolarHBondContact OD1-ND2 3.16Å |
| 264 | K | 98.4 | Very high | 98.6 | Very high | 142 Ų | 142 | 42 Ų | 42 | 62% | 0.617 | 22% | 0.219 | S | C | * | . | I | π-helix | trans | -116 | -61.1 | 171.8 | -54.6 | -175.2 | -178.3 | 171.1 | 0 | 111.2 | T260 E267 D268 | T260-K264 HydrophobicContact CG2-CD 4.21Å; T260-K264 WeakPolarHBondContact O-CA 3.49Å; T260-K264 VanDerWaalsContact O-CB 3.27Å; T260-K264 WeakPolarHBondContact O-CB 3.23Å; T260-K264 PolarHBondContact O-N 2.73Å; K264-E267 PolarHBondContact O-N 3.48Å; K264-D268 PolarHBondContact O-N 3.47Å |
| 265 | T | 98.5 | Very high | 98.6 | Very high | 47 Ų | 47 | 46.4 Ų | 46.4 | 29% | 0.288 | 24% | 0.24 | S | C | . | . | I | π-helix | trans | -69.7 | -50.2 | -170.8 | -43.2 | 0 | 0 | 0 | 0 | 112.8 | T260 L261 E267 T269 L334 | T260-T265 PolarHBondContact O-N 3.25Å; T260-T265 VanDerWaalsContact O-N 3.16Å; L261-T265 HydrophobicContact CD1-CG2 4.47Å; L261-T265 WeakPolarHBondContact O-CB 3.49Å; L261-T265 PolarHBondContact O-N 3.43Å; T265-E267 VanDerWaalsContact C-N 3.33Å; T265-T269 PolarHBondContact O-N 2.84Å; T265-L334 HydrophobicContact CG2-CD1 3.74Å |
| 266 | M | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -67 | -36.2 | 176.4 | -67.4 | 178 | 173.5 | 0 | 0 | 111.5 | L181 T184 K185 Y188 L261 V262 T269 L270 L334 K338 | L181-M266 HydrophobicContact CD1-CB 4.47Å; L181-M266 HydrophobicContact CD1-CG 4.22Å; T184-M266 HydrophobicContact CG2-CE 4.12Å; K185-M266 HydrophobicContact CB-SD 3.95Å; K185-M266 HydrophobicContact CD-CB 4.41Å; K185-M266 HydrophobicContact CG-SD 4.12Å; Y188-M266 HydrophobicContact CD2-CE 3.68Å; Y188-M266 HydrophobicContact CE2-CE 3.8Å; L261-M266 HydrophobicContact CD2-CE 4.42Å; L261-M266 HydrophobicContact CG-CE 4.23Å; L261-M266 WeakPolarHBondContact O-CG 3.45Å; L261-M266 PolarHBondContact O-N 3.03Å; V262-M266 HydrophobicContact CG2-SD 4.36Å; M266-T269 PolarHBondContact O-N 3.23Å; M266-L270 WeakPolarHBondContact O-CG 3.49Å; M266-L270 PolarHBondContact O-N 3.47Å; M266-L334 HydrophobicContact CG-CD1 4.02Å; M266-L334 HydrophobicContact CG-CD2 4.25Å; M266-K338 HydrophobicContact CE-CD 4.2Å; M266-K338 HydrophobicContact CE-CG 4Å |
| 267 | E | 98.4 | Very high | 98.6 | Very high | 50 Ų | 50 | 45 Ų | 45 | 23% | 0.234 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.2 | -37.1 | 179.4 | -167.1 | 58.7 | -146.2 | 0 | 0 | 112.5 | K185 K264 T265 T269 L270 M271 R274 | K185-E267 WeakPolarHBondContact CE-OE2 3.35Å; K185-E267 IonicContact NZ-OE2 3.89Å; K264-E267 PolarHBondContact O-N 3.48Å; T265-E267 VanDerWaalsContact C-N 3.33Å; E267-T269 VanDerWaalsContact C-N 3.31Å; E267-T269 PolarHBondContact O-N 3.16Å; E267-L270 PolarHBondContact O-N 3.14Å; E267-M271 WeakPolarHBondContact O-CG 3.36Å; E267-M271 PolarHBondContact O-N 3.23Å; E267-R274 IonicContact OE1-CZ 3.94Å; E267-R274 VanDerWaalsContact OE1-CZ 3.24Å; E267-R274 IonicContact OE1-NH1 2.72Å; E267-R274 PolarHBondContact OE1-NH1 2.77Å; E267-R274 IonicContact OE1-NH2 2.73Å; E267-R274 PolarHBondContact OE1-NH2 3.39Å |
| 268 | D | 98.4 | Very high | 98.6 | Very high | 87 Ų | 87 | 47.6 Ų | 47.6 | 47% | 0.465 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.6 | -40.1 | 172.7 | 176.7 | 74.8 | 0 | 0 | 0 | 112.4 | K264 M271 T272 K330 | K264-D268 PolarHBondContact O-N 3.47Å; D268-M271 PolarHBondContact O-N 2.88Å; D268-T272 PolarHBondContact O-N 2.95Å; D268-T272 PolarHBondContact O-OG1 2.73Å; D268-K330 IonicContact OD1-NZ 3.24Å; D268-K330 IonicContact OD2-NZ 2.77Å; D268-K330 PolarHBondContact OD2-NZ 3.17Å |
| 269 | T | 98.8 | Very high | 98.5 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 4% | 0.043 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.9 | -42.8 | 175.1 | -58.7 | 0 | 0 | 0 | 0 | 111 | L181 T265 M266 E267 M271 T272 I273 K330 L331 L334 | L181-T269 HydrophobicContact CD2-CG2 3.86Å; T265-T269 PolarHBondContact O-N 2.84Å; M266-T269 PolarHBondContact O-N 3.23Å; E267-T269 VanDerWaalsContact C-N 3.31Å; E267-T269 PolarHBondContact O-N 3.16Å; T269-M271 VanDerWaalsContact C-N 3.33Å; T269-M271 PolarHBondContact O-N 3.13Å; T269-T272 WeakPolarHBondContact O-CB 3.42Å; T269-T272 PolarHBondContact O-N 2.94Å; T269-T272 VanDerWaalsContact O-N 3.1Å; T269-I273 HydrophobicContact CG2-CD1 4.14Å; T269-I273 WeakPolarHBondContact O-CG1 3.47Å; T269-I273 PolarHBondContact O-N 2.83Å; T269-K330 HydrophobicContact CG2-CB 4.17Å; T269-L331 HydrophobicContact CG2-CD2 4.04Å; T269-L331 HydrophobicContact CG2-CG 4.44Å; T269-L334 HydrophobicContact CG2-CD2 3.92Å |
| 270 | L | 98.7 | Very high | 98.5 | Very high | 14 Ų | 14 | 45.8 Ų | 45.8 | 7% | 0.073 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.2 | -36 | 175.6 | -73.4 | 172.9 | 0 | 0 | 0 | 112.9 | L181 R182 K185 M266 E267 T272 I273 R274 | L181-L270 HydrophobicContact CD2-CD2 4.02Å; L181-L270 HydrophobicContact CD2-CG 4.3Å; L181-L270 HydrophobicContact CG-CD2 4.4Å; R182-L270 HydrophobicContact CG-CD2 4.19Å; K185-L270 HydrophobicContact CD-CD1 3.39Å; M266-L270 WeakPolarHBondContact O-CG 3.49Å; M266-L270 PolarHBondContact O-N 3.47Å; E267-L270 PolarHBondContact O-N 3.14Å; L270-T272 VanDerWaalsContact C-N 3.3Å; L270-T272 PolarHBondContact O-N 2.78Å; L270-I273 HydrophobicContact CD2-CD1 4.09Å; L270-I273 PolarHBondContact O-N 3.33Å; L270-R274 WeakPolarHBondContact O-CG 3.43Å; L270-R274 PolarHBondContact O-N 2.85Å |
| 271 | M | 98.6 | Very high | 98.5 | Very high | 81 Ų | 81 | 44.2 Ų | 44.2 | 40% | 0.399 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.5 | -43.1 | 171.5 | -79.2 | -63.4 | -60.6 | 0 | 0 | 111.5 | E267 D268 T269 I273 R274 H275 | E267-M271 WeakPolarHBondContact O-CG 3.36Å; E267-M271 PolarHBondContact O-N 3.23Å; D268-M271 PolarHBondContact O-N 2.88Å; T269-M271 VanDerWaalsContact C-N 3.33Å; T269-M271 PolarHBondContact O-N 3.13Å; M271-I273 PolarHBondContact O-N 3.39Å; M271-R274 PolarHBondContact O-N 3.45Å; M271-R274 PolarHBondContact SD-NH1 3.45Å; M271-H275 PolarHBondContact O-CD2 3.03Å; M271-H275 PolarHBondContact O-N 3.44Å; M271-H275 VanDerWaalsContact O-N 3.1Å |
| 272 | T | 98.6 | Very high | 98.4 | Very high | 15 Ų | 15 | 44.7 Ų | 44.7 | 9% | 0.092 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.1 | -40.2 | 176.9 | -47.4 | 0 | 0 | 0 | 0 | 111.5 | D268 T269 L270 R274 H275 Y276 D326 V327 K330 | D268-T272 PolarHBondContact O-N 2.95Å; D268-T272 PolarHBondContact O-OG1 2.73Å; T269-T272 WeakPolarHBondContact O-CB 3.42Å; T269-T272 PolarHBondContact O-N 2.94Å; T269-T272 VanDerWaalsContact O-N 3.1Å; L270-T272 VanDerWaalsContact C-N 3.3Å; L270-T272 PolarHBondContact O-N 2.78Å; T272-R274 PolarHBondContact O-N 3.2Å; T272-H275 WeakPolarHBondContact O-CB 3.49Å; T272-H275 PolarHBondContact O-N 3.12Å; T272-Y276 PolarHBondContact O-N 3.4Å; T272-D326 HydrophobicContact CG2-CB 4.36Å; T272-V327 HydrophobicContact CG2-CG2 3.98Å; T272-K330 HydrophobicContact CG2-CD 4.02Å; T272-K330 WeakPolarHBondContact OG1-CD 3.27Å; T272-K330 WeakPolarHBondContact OG1-CE 3.46Å; T272-K330 PolarHBondContact OG1-NZ 3.06Å |
| 273 | I | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.1 | -43 | 173.6 | -70 | 159.6 | 0 | 0 | 0 | 111.3 | I178 L181 T269 L270 M271 H275 Y276 E277 V327 L331 | I178-I273 HydrophobicContact CD1-CG1 4.24Å; I178-I273 HydrophobicContact CD1-CG2 3.83Å; I178-I273 HydrophobicContact CG1-CD1 3.86Å; I178-I273 HydrophobicContact CG1-CG1 4.07Å; I178-I273 HydrophobicContact CG1-CG2 4.2Å; I178-I273 HydrophobicContact CG2-CD1 4.32Å; I178-I273 HydrophobicContact CG2-CG2 4.03Å; L181-I273 HydrophobicContact CD2-CD1 3.68Å; T269-I273 HydrophobicContact CG2-CD1 4.14Å; T269-I273 WeakPolarHBondContact O-CG1 3.47Å; T269-I273 PolarHBondContact O-N 2.83Å; L270-I273 HydrophobicContact CD2-CD1 4.09Å; L270-I273 PolarHBondContact O-N 3.33Å; M271-I273 PolarHBondContact O-N 3.39Å; I273-H275 VanDerWaalsContact C-N 3.3Å; I273-H275 PolarHBondContact O-N 3.47Å; I273-Y276 WeakPolarHBondContact O-CB 3.37Å; I273-Y276 PolarHBondContact O-N 3.28Å; I273-E277 HydrophobicContact CG2-CG 4.26Å; I273-E277 WeakPolarHBondContact O-CG 3.09Å; I273-E277 PolarHBondContact O-N 3.23Å; I273-V327 HydrophobicContact CD1-CG1 4.49Å; I273-V327 HydrophobicContact CG1-CG1 3.68Å; I273-V327 HydrophobicContact CG1-CG2 4.1Å; I273-L331 HydrophobicContact CD1-CD2 4.47Å |
| 274 | R | 98.6 | Very high | 98.4 | Very high | 109 Ų | 109 | 41.9 Ų | 41.9 | 41% | 0.411 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.4 | -39.1 | 175.8 | -68.6 | 173.1 | -165.7 | 126 | 3.6 | 111.9 | E267 L270 M271 T272 E277 N278 | E267-R274 IonicContact OE1-CZ 3.94Å; E267-R274 VanDerWaalsContact OE1-CZ 3.24Å; E267-R274 IonicContact OE1-NH1 2.72Å; E267-R274 PolarHBondContact OE1-NH1 2.77Å; E267-R274 IonicContact OE1-NH2 2.73Å; E267-R274 PolarHBondContact OE1-NH2 3.39Å; L270-R274 WeakPolarHBondContact O-CG 3.43Å; L270-R274 PolarHBondContact O-N 2.85Å; M271-R274 PolarHBondContact O-N 3.45Å; M271-R274 PolarHBondContact SD-NH1 3.45Å; T272-R274 PolarHBondContact O-N 3.2Å; R274-E277 PolarHBondContact O-N 3Å; R274-N278 WeakPolarHBondContact O-CB 3.35Å; R274-N278 PolarHBondContact O-N 2.72Å |
| 275 | H | 98.6 | Very high | 98.3 | Very high | 101 Ų | 101 | 35.3 Ų | 35.3 | 47% | 0.468 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -64.8 | -42.7 | 174.7 | -67.5 | -49.9 | 0 | 0 | 0 | 112 | M271 T272 I273 N278 A279 L323 | M271-H275 PolarHBondContact O-CD2 3.03Å; M271-H275 PolarHBondContact O-N 3.44Å; M271-H275 VanDerWaalsContact O-N 3.1Å; T272-H275 WeakPolarHBondContact O-CB 3.49Å; T272-H275 PolarHBondContact O-N 3.12Å; I273-H275 VanDerWaalsContact C-N 3.3Å; I273-H275 PolarHBondContact O-N 3.47Å; H275-N278 PolarHBondContact O-N 2.84Å; H275-A279 WeakPolarHBondContact O-CB 3.23Å; H275-A279 PolarHBondContact O-N 3.12Å; H275-L323 HydrophobicContact CB-CD1 4.39Å; H275-L323 HydrophobicContact CB-CD2 4.09Å |
| 276 | Y | 98.7 | Very high | 98.3 | Very high | 5 Ų | 5 | 33.4 Ų | 33.4 | 2% | 0.02 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.1 | -49 | 173.1 | 160 | -100.9 | 0 | 0 | 0 | 112.4 | L174 I178 T272 I273 N278 A279 R280 Y320 L323 R324 V327 | L174-Y276 HydrophobicContact CD2-CE1 3.99Å; L174-Y276 HydrophobicContact CD2-CE2 4.07Å; I178-Y276 HydrophobicContact CD1-CE1 4.42Å; T272-Y276 PolarHBondContact O-N 3.4Å; I273-Y276 WeakPolarHBondContact O-CB 3.37Å; I273-Y276 PolarHBondContact O-N 3.28Å; Y276-N278 VanDerWaalsContact C-N 3.28Å; Y276-N278 PolarHBondContact O-N 3.18Å; Y276-A279 PolarHBondContact O-N 2.89Å; Y276-A279 VanDerWaalsContact O-N 3.14Å; Y276-R280 PolarHBondContact O-N 3.26Å; Y276-Y320 HydrophobicContact CD2-CD2 4.38Å; Y276-Y320 HydrophobicContact CD2-CE2 4.21Å; Y276-Y320 HydrophobicContact CE2-CD2 4.01Å; Y276-Y320 AromaticContact CE2-CE2 3.42Å; Y276-Y320 HydrophobicContact CE2-CE2 3.42Å; Y276-Y320 VanDerWaalsContact CE2-CE2 3.42Å; Y276-L323 HydrophobicContact CD2-CB 4.48Å; Y276-R324 HydrophobicContact CD2-CB 4.01Å; Y276-R324 HydrophobicContact CE2-CB 3.71Å; Y276-R324 HydrophobicContact CE2-CG 3.92Å; Y276-V327 HydrophobicContact CG-CG2 4.07Å |
| 277 | E | 98.1 | Very high | 98.2 | Very high | 58 Ų | 58 | 35 Ų | 35 | 27% | 0.271 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -60.6 | -38.4 | 179.2 | -73.5 | 175.3 | 151.2 | 0 | 0 | 111.6 | R182 I273 R274 L281 | R182-E277 IonicContact CZ-OE1 2.71Å; R182-E277 IonicContact NH1-OE1 3.65Å; R182-E277 IonicContact NH2-OE1 3.58Å; R182-E277 PolarHBondContact NH2-OE1 2.74Å; R182-E277 IonicContact NH2-OE2 3.74Å; I273-E277 HydrophobicContact CG2-CG 4.26Å; I273-E277 WeakPolarHBondContact O-CG 3.09Å; I273-E277 PolarHBondContact O-N 3.23Å; R274-E277 PolarHBondContact O-N 3Å; E277-L281 PolarHBondContact O-N 3.38Å |
| 278 | N | 98 | Very high | 98.1 | Very high | 77 Ų | 77 | 34.1 Ų | 34.1 | 41% | 0.412 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -67.9 | -44.1 | 174 | -172 | 29.7 | 0 | 0 | 0 | 112 | R274 H275 Y276 R280 L281 E282 | R274-N278 WeakPolarHBondContact O-CB 3.35Å; R274-N278 PolarHBondContact O-N 2.72Å; H275-N278 PolarHBondContact O-N 2.84Å; Y276-N278 VanDerWaalsContact C-N 3.28Å; Y276-N278 PolarHBondContact O-N 3.18Å; N278-R280 VanDerWaalsContact C-N 3.29Å; N278-R280 PolarHBondContact O-N 3.35Å; N278-L281 PolarHBondContact O-N 3.42Å; N278-E282 WeakPolarHBondContact O-CG 3.18Å; N278-E282 PolarHBondContact O-N 2.84Å |
| 279 | A | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.9 | -34.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | H275 Y276 E282 F283 K319 L323 | H275-A279 WeakPolarHBondContact O-CB 3.23Å; H275-A279 PolarHBondContact O-N 3.12Å; Y276-A279 PolarHBondContact O-N 2.89Å; Y276-A279 VanDerWaalsContact O-N 3.14Å; A279-E282 PolarHBondContact O-N 3.4Å; A279-F283 VanDerWaalsContact O-CB 3.3Å; A279-F283 WeakPolarHBondContact O-CB 3.46Å; A279-F283 PolarHBondContact O-N 2.95Å; A279-K319 HydrophobicContact CB-CD 4.45Å; A279-K319 HydrophobicContact CB-CG 4.24Å; A279-L323 HydrophobicContact CB-CD1 3.48Å; A279-L323 VanDerWaalsContact CB-CD1 3.48Å |
| 280 | R | 98.2 | Very high | 97.7 | Very high | 29 Ų | 29 | 32.6 Ų | 32.6 | 11% | 0.109 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.5 | -47.1 | 171.4 | -173 | -151.1 | 80.3 | -146 | -3 | 111.3 | E161 R168 T169 Y276 N278 F283 D284 Y320 | E161-R280 IonicContact OE2-NH2 2.94Å; E161-R280 PolarHBondContact OE2-NH2 3.41Å; R168-R280 VanDerWaalsContact NH2-NH1 3.11Å; T169-R280 HydrophobicContact CG2-CG 4.4Å; T169-R280 WeakPolarHBondContact O-CD 3.49Å; Y276-R280 PolarHBondContact O-N 3.26Å; N278-R280 VanDerWaalsContact C-N 3.29Å; N278-R280 PolarHBondContact O-N 3.35Å; R280-F283 WeakPolarHBondContact O-CB 3.41Å; R280-F283 PolarHBondContact O-N 3.1Å; R280-D284 PolarHBondContact O-N 3.14Å; R280-Y320 HydrophobicContact CB-CD2 3.85Å; R280-Y320 HydrophobicContact CB-CE2 3.8Å; R280-Y320 HydrophobicContact CG-CD2 4.28Å; R280-Y320 HydrophobicContact CG-CE2 3.83Å |
| 281 | L | 97.9 | Very high | 97.5 | Very high | 26 Ų | 26 | 36.3 Ų | 36.3 | 14% | 0.136 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.9 | -43.2 | 178.4 | -178.7 | 65.7 | 0 | 0 | 0 | 111.8 | C154 Q157 M158 E277 N278 D284 A285 | C154-L281 HydrophobicContact CB-CD2 4.02Å; C154-L281 HydrophobicContact CB-CG 4.19Å; Q157-L281 HydrophobicContact CB-CD1 4.02Å; Q157-L281 HydrophobicContact CG-CD1 3.66Å; M158-L281 HydrophobicContact CB-CD1 4.12Å; M158-L281 HydrophobicContact CB-CD2 4.33Å; E277-L281 PolarHBondContact O-N 3.38Å; N278-L281 PolarHBondContact O-N 3.42Å; L281-D284 PolarHBondContact O-N 3.11Å; L281-A285 WeakPolarHBondContact O-CB 3.45Å; L281-A285 PolarHBondContact O-N 3.44Å |
| 282 | E | 97.8 | Very high | 97.3 | Very high | 13 Ų | 13 | 37.8 Ų | 37.8 | 6% | 0.061 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.7 | -47.2 | 174.1 | -71.5 | 177.9 | 169.5 | 0 | 0 | 111.2 | N150 C154 N278 A279 D284 A285 Y286 H316 K319 | N150-E282 PolarHBondContact ND2-OE1 2.85Å; N150-E282 VanDerWaalsContact ND2-OE1 3.08Å; C154-E282 VanDerWaalsContact SG-CG 3.54Å; N278-E282 WeakPolarHBondContact O-CG 3.18Å; N278-E282 PolarHBondContact O-N 2.84Å; A279-E282 PolarHBondContact O-N 3.4Å; E282-D284 PolarHBondContact O-N 2.86Å; E282-A285 PolarHBondContact O-N 3.42Å; E282-Y286 VanDerWaalsContact O-CD2 3.32Å; E282-Y286 WeakPolarHBondContact O-CD2 3.19Å; E282-Y286 PolarHBondContact O-N 3.4Å; E282-H316 IonicContact OE2-CE1 2.73Å; E282-H316 IonicContact OE2-ND1 2.78Å; E282-H316 PolarHBondContact OE2-ND1 3.18Å; E282-K319 IonicContact OE1-NZ 3.14Å; E282-K319 IonicContact OE2-NZ 2.74Å; E282-K319 PolarHBondContact OE2-NZ 2.94Å |
| 283 | F | 98.1 | Very high | 97 | Very high | 16 Ų | 16 | 39.7 Ų | 39.7 | 7% | 0.07 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.5 | -49.4 | 177.1 | 167.3 | -111.4 | 0 | 0 | 0 | 111.9 | T169 A279 R280 A285 Y286 R287 Y313 R317 Y320 | T169-F283 HydrophobicContact CG2-CE1 4.36Å; T169-F283 WeakPolarHBondContact OG1-CE1 3.4Å; A279-F283 VanDerWaalsContact O-CB 3.3Å; A279-F283 WeakPolarHBondContact O-CB 3.46Å; A279-F283 PolarHBondContact O-N 2.95Å; R280-F283 WeakPolarHBondContact O-CB 3.41Å; R280-F283 PolarHBondContact O-N 3.1Å; F283-A285 VanDerWaalsContact C-N 3.31Å; F283-A285 PolarHBondContact O-N 3.42Å; F283-Y286 PolarHBondContact O-N 3.46Å; F283-R287 WeakPolarHBondContact O-CB 3.38Å; F283-R287 PolarHBondContact O-N 3.44Å; F283-Y313 HydrophobicContact CD2-CD2 4.48Å; F283-Y313 HydrophobicContact CD2-CE2 4.07Å; F283-Y313 HydrophobicContact CE2-CD2 4.18Å; F283-Y313 AromaticContact CE2-CE2 3.36Å; F283-Y313 HydrophobicContact CE2-CE2 3.36Å; F283-Y313 AromaticContact CE2-CZ 3.88Å; F283-Y313 HydrophobicContact CZ-CE2 4.09Å; F283-R317 HydrophobicContact CD2-CB 3.84Å; F283-R317 HydrophobicContact CD2-CG 4.28Å; F283-R317 HydrophobicContact CE2-CB 3.69Å; F283-R317 HydrophobicContact CE2-CG 3.75Å; F283-R317 HydrophobicContact CZ-CG 4.48Å; F283-Y320 HydrophobicContact CB-CG 4.34Å; F283-Y320 HydrophobicContact CD1-CD1 4.26Å; F283-Y320 HydrophobicContact CD1-CG 4.4Å; F283-Y320 HydrophobicContact CG-CD1 4.47Å; F283-Y320 HydrophobicContact CG-CG 4.39Å |
| 284 | D | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64 | -35.9 | 178.7 | -78.7 | -32.9 | 0 | 0 | 0 | 112.5 | Q157 T169 R280 L281 E282 R287 S288 | Q157-D284 HydrophobicContact CG-CB 3.94Å; Q157-D284 PolarHBondContact OE1-O 3.34Å; T169-D284 WeakPolarHBondContact CB-OD1 3.12Å; T169-D284 WeakPolarHBondContact CB-OD2 3.43Å; T169-D284 PolarHBondContact N-OD1 2.81Å; T169-D284 PolarHBondContact N-OD2 2.9Å; T169-D284 PolarHBondContact OG1-OD1 3.35Å; R280-D284 PolarHBondContact O-N 3.14Å; L281-D284 PolarHBondContact O-N 3.11Å; E282-D284 PolarHBondContact O-N 2.86Å; D284-R287 IonicContact OD1-NE 3.77Å; D284-S288 WeakPolarHBondContact O-CB 3.31Å; D284-S288 PolarHBondContact O-N 3.25Å; D284-S288 PolarHBondContact O-OG 3.5Å |
| 285 | A | 97.5 | Very high | 96.5 | Very high | 5 Ų | 5 | 43.9 Ų | 43.9 | 4% | 0.041 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.7 | -43.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | K153 Q157 L281 E282 F283 S288 D289 | K153-A285 HydrophobicContact CB-CB 4.09Å; Q157-A285 HydrophobicContact CB-CB 3.65Å; Q157-A285 HydrophobicContact CG-CB 4.08Å; L281-A285 WeakPolarHBondContact O-CB 3.45Å; L281-A285 PolarHBondContact O-N 3.44Å; E282-A285 PolarHBondContact O-N 3.42Å; F283-A285 VanDerWaalsContact C-N 3.31Å; F283-A285 PolarHBondContact O-N 3.42Å; A285-S288 PolarHBondContact O-N 2.94Å; A285-D289 WeakPolarHBondContact O-CB 3.22Å; A285-D289 PolarHBondContact O-N 3.04Å |
| 286 | Y | 97.2 | Very high | 96.1 | Very high | 7 Ų | 7 | 40.3 Ų | 40.3 | 3% | 0.027 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -76.7 | -27.6 | 178.7 | -82.1 | -102.2 | 0 | 0 | 0 | 113 | N150 K153 E282 F283 L290 E312 H316 | N150-Y286 WeakPolarHBondContact OD1-CE2 3.29Å; K153-Y286 HydrophobicContact CD-CD2 4.25Å; K153-Y286 HydrophobicContact CD-CE1 4.2Å; K153-Y286 HydrophobicContact CD-CE2 3.87Å; E282-Y286 VanDerWaalsContact O-CD2 3.32Å; E282-Y286 WeakPolarHBondContact O-CD2 3.19Å; E282-Y286 PolarHBondContact O-N 3.4Å; F283-Y286 PolarHBondContact O-N 3.46Å; Y286-L290 WeakPolarHBondContact O-CB 3.39Å; Y286-L290 PolarHBondContact O-N 3.19Å; Y286-L290 VanDerWaalsContact O-N 3.08Å; Y286-E312 HydrophobicContact CD1-CB 3.65Å; Y286-E312 HydrophobicContact CE1-CB 3.63Å; Y286-E312 HydrophobicContact CE1-CG 4.21Å; Y286-H316 AromaticContact CD1-CD2 3.8Å; Y286-H316 AromaticContact CD2-CD2 3.59Å; Y286-H316 AromaticContact CD2-NE2 3.76Å; Y286-H316 AromaticContact CE1-CD2 3.89Å; Y286-H316 AromaticContact CE1-NE2 3.86Å; Y286-H316 AromaticContact CE2-CD2 3.71Å; Y286-H316 AromaticContact CE2-CE1 3.96Å; Y286-H316 AromaticContact CE2-NE2 3.36Å; Y286-H316 WeakPolarHBondContact CE2-NE2 3.33Å; Y286-H316 AromaticContact CG-CD2 3.62Å; Y286-H316 AromaticContact CZ-CD2 3.82Å; Y286-H316 AromaticContact CZ-NE2 3.38Å |
| 287 | R | 97.2 | Very high | 95.6 | Very high | 34 Ų | 34 | 45 Ų | 45 | 13% | 0.128 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.5 | -50.7 | 167.8 | -174.3 | -175.4 | 61.3 | 68.9 | 12.3 | 110.6 | S167 F283 D284 D289 L290 E291 Y313 | S167-R287 VanDerWaalsContact CB-NH2 3.28Å; S167-R287 PolarHBondContact O-NH2 3.1Å; S167-R287 VanDerWaalsContact O-NH2 3.11Å; S167-R287 PolarHBondContact OG-NH2 3.34Å; F283-R287 WeakPolarHBondContact O-CB 3.38Å; F283-R287 PolarHBondContact O-N 3.44Å; D284-R287 IonicContact OD1-NE 3.77Å; R287-D289 PolarHBondContact O-N 3.5Å; R287-L290 PolarHBondContact O-N 2.83Å; R287-E291 WeakPolarHBondContact CG-OE1 3.39Å; R287-E291 IonicContact CZ-OE1 3.89Å; R287-E291 IonicContact NH1-OE1 2.65Å; R287-E291 PolarHBondContact NH1-OE1 3.1Å; R287-E291 IonicContact NH1-OE2 3.62Å; R287-E291 PolarHBondContact NH1-OE2 3.46Å; R287-E291 WeakPolarHBondContact O-CG 3.42Å; R287-E291 PolarHBondContact O-N 3.2Å; R287-Y313 HydrophobicContact CB-CD2 4.03Å; R287-Y313 HydrophobicContact CB-CE2 3.83Å; R287-Y313 HydrophobicContact CG-CE2 3.96Å |
| 288 | S | 95.3 | Very high | 95.3 | Very high | 32 Ų | 32 | 48.7 Ų | 48.7 | 22% | 0.224 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.5 | -39.1 | 179.6 | -58.5 | 0 | 0 | 0 | 0 | 112.6 | Q157 D284 A285 E291 E292 | Q157-S288 PolarHBondContact OE1-OG 3.4Å; Q157-S288 VanDerWaalsContact OE1-OG 3.13Å; D284-S288 WeakPolarHBondContact O-CB 3.31Å; D284-S288 PolarHBondContact O-N 3.25Å; D284-S288 PolarHBondContact O-OG 3.5Å; A285-S288 PolarHBondContact O-N 2.94Å; S288-E291 PolarHBondContact O-N 3.12Å; S288-E292 WeakPolarHBondContact O-CB 3.48Å; S288-E292 PolarHBondContact O-N 3.19Å |
| 289 | D | 94.4 | Very high | 95.1 | Very high | 38 Ų | 38 | 48.8 Ų | 48.8 | 20% | 0.203 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 176.3 | -170.3 | 68.8 | 0 | 0 | 0 | 112.2 | K153 A285 R287 E292 L293 | K153-D289 VanDerWaalsContact CE-OD2 3.28Å; K153-D289 WeakPolarHBondContact CE-OD2 3.47Å; K153-D289 VanDerWaalsContact NZ-CG 3.34Å; K153-D289 IonicContact NZ-OD1 3.1Å; K153-D289 IonicContact NZ-OD2 3.57Å; K153-D289 PolarHBondContact NZ-OD2 3.28Å; A285-D289 WeakPolarHBondContact O-CB 3.22Å; A285-D289 PolarHBondContact O-N 3.04Å; R287-D289 PolarHBondContact O-N 3.5Å; D289-E292 PolarHBondContact O-N 3.46Å; D289-L293 WeakPolarHBondContact O-CB 3.45Å; D289-L293 WeakPolarHBondContact O-CG 3.34Å; D289-L293 PolarHBondContact O-N 3.25Å |
| 290 | L | 95.9 | Very high | 94.8 | Very high | 23 Ų | 23 | 52.8 Ų | 52.8 | 12% | 0.12 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 174.8 | 175.8 | 60.3 | 0 | 0 | 0 | 111.6 | Y286 R287 S294 I306 A309 Q310 Y313 | Y286-L290 WeakPolarHBondContact O-CB 3.39Å; Y286-L290 PolarHBondContact O-N 3.19Å; Y286-L290 VanDerWaalsContact O-N 3.08Å; R287-L290 PolarHBondContact O-N 2.83Å; L290-S294 WeakPolarHBondContact O-CB 3.43Å; L290-S294 PolarHBondContact O-N 3Å; L290-S294 PolarHBondContact O-OG 3.47Å; L290-I306 HydrophobicContact CD1-CG2 4.33Å; L290-A309 HydrophobicContact CD1-CB 4.01Å; L290-Q310 HydrophobicContact CD1-CB 4.49Å; L290-Q310 HydrophobicContact CD1-CG 3.56Å; L290-Q310 HydrophobicContact CD2-CG 4.01Å; L290-Q310 HydrophobicContact CG-CG 4.45Å; L290-Y313 HydrophobicContact CD2-CD1 3.91Å; L290-Y313 HydrophobicContact CD2-CG 3.88Å |
| 291 | E | 94.8 | Very high | 94.5 | Very high | 93 Ų | 93 | 54.2 Ų | 54.2 | 44% | 0.435 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 175 | -73.8 | 168.4 | -172.6 | 0 | 0 | 111.3 | R287 S288 S294 L295 | R287-E291 WeakPolarHBondContact CG-OE1 3.39Å; R287-E291 IonicContact CZ-OE1 3.89Å; R287-E291 IonicContact NH1-OE1 2.65Å; R287-E291 PolarHBondContact NH1-OE1 3.1Å; R287-E291 IonicContact NH1-OE2 3.62Å; R287-E291 PolarHBondContact NH1-OE2 3.46Å; R287-E291 WeakPolarHBondContact O-CG 3.42Å; R287-E291 PolarHBondContact O-N 3.2Å; S288-E291 PolarHBondContact O-N 3.12Å; E291-S294 WeakPolarHBondContact O-CB 3.37Å; E291-S294 PolarHBondContact O-N 2.71Å; E291-L295 WeakPolarHBondContact O-CG 3.39Å; E291-L295 PolarHBondContact O-N 3.02Å; E291-L295 VanDerWaalsContact O-N 3.17Å |
| 292 | E | 92.7 | Very high | 94.2 | Very high | 112 Ų | 112 | 53.3 Ų | 53.3 | 52% | 0.523 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62 | -48.7 | 178.1 | -173 | 174.3 | 170.2 | 0 | 0 | 111.7 | K156 S288 D289 S294 L295 | K156-E292 IonicContact NZ-OE1 2.7Å; K156-E292 IonicContact NZ-OE2 3.55Å; K156-E292 PolarHBondContact NZ-OE2 2.83Å; S288-E292 WeakPolarHBondContact O-CB 3.48Å; S288-E292 PolarHBondContact O-N 3.19Å; D289-E292 PolarHBondContact O-N 3.46Å; E292-S294 PolarHBondContact O-N 3.34Å; E292-L295 PolarHBondContact O-N 3.42Å |
| 293 | L | 93.5 | Very high | 94 | Very high | 54 Ų | 54 | 56.4 Ų | 56.4 | 28% | 0.283 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63 | -33.9 | 174.9 | -71.5 | 170.1 | 0 | 0 | 0 | 112 | D289 L295 G296 R298 I306 A309 | D289-L293 WeakPolarHBondContact O-CB 3.45Å; D289-L293 WeakPolarHBondContact O-CG 3.34Å; D289-L293 PolarHBondContact O-N 3.25Å; L293-L295 VanDerWaalsContact C-N 3.26Å; L293-L295 PolarHBondContact O-N 2.88Å; L293-G296 PolarHBondContact O-N 3.4Å; L293-R298 PolarHBondContact O-NH1 2.86Å; L293-I306 HydrophobicContact CB-CG1 4.08Å; L293-A309 HydrophobicContact CD1-CB 3.62Å |
| 294 | S | 93 | Very high | 93.8 | Very high | 39 Ų | 39 | 59.4 Ų | 59.4 | 27% | 0.273 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -70.3 | -18.8 | 178.6 | -65.4 | 0 | 0 | 0 | 0 | 113.2 | L290 E291 E292 R298 | L290-S294 WeakPolarHBondContact O-CB 3.43Å; L290-S294 PolarHBondContact O-N 3Å; L290-S294 PolarHBondContact O-OG 3.47Å; E291-S294 WeakPolarHBondContact O-CB 3.37Å; E291-S294 PolarHBondContact O-N 2.71Å; E292-S294 PolarHBondContact O-N 3.34Å; S294-R298 PolarHBondContact O-NH1 2.85Å; S294-R298 PolarHBondContact O-NH2 3.33Å |
| 295 | L | 93.1 | Very high | 93.6 | Very high | 159 Ų | 159 | 65.9 Ų | 65.9 | 83% | 0.832 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -86.9 | -11.7 | 173.3 | -66.3 | 170.3 | 0 | 0 | 0 | 112.9 | E291 E292 L293 | E291-L295 WeakPolarHBondContact O-CG 3.39Å; E291-L295 PolarHBondContact O-N 3.02Å; E291-L295 VanDerWaalsContact O-N 3.17Å; E292-L295 PolarHBondContact O-N 3.42Å; L293-L295 VanDerWaalsContact C-N 3.26Å; L293-L295 PolarHBondContact O-N 2.88Å |
| 296 | G | 89.5 | Confident | 93.5 | Very high | 27 Ų | 27 | 66.3 Ų | 66.3 | 28% | 0.278 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -78.2 | 172.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | L293 R298 | L293-G296 PolarHBondContact O-N 3.4Å; G296-R298 PolarHBondContact O-NH1 2.72Å |
| 297 | P | 88.3 | Confident | 93.4 | Very high | 102 Ų | 102 | 72.4 Ų | 72.4 | 66% | 0.662 | 39% | 0.391 | S | S | * | . | trans | -53.5 | 147.3 | 177.3 | -24.4 | 33.7 | 0 | 0 | 0 | 113 | D299 A302 | P297-D299 PolarHBondContact O-N 3.26Å; P297-A302 WeakPolarHBondContact O-CB 3.34Å | ||
| 298 | R | 91.8 | Very high | 93.3 | Very high | 137 Ų | 137 | 76.9 Ų | 76.9 | 52% | 0.517 | 42% | 0.415 | S | S | . | . | trans | -99.9 | 38.8 | -174.7 | -66.5 | -71.1 | -171.3 | -110 | 11.4 | 113.6 | L293 S294 G296 M303 | L293-R298 PolarHBondContact O-NH1 2.86Å; S294-R298 PolarHBondContact O-NH1 2.85Å; S294-R298 PolarHBondContact O-NH2 3.33Å; G296-R298 PolarHBondContact O-NH1 2.72Å; R298-M303 HydrophobicContact CB-CE 3.86Å; R298-M303 HydrophobicContact CG-CE 4.07Å | ||
| 299 | D | 93.9 | Very high | 93.3 | Very high | 79 Ų | 79 | 75.8 Ų | 75.8 | 42% | 0.422 | 41% | 0.408 | S | S | . | . | trans | -73.9 | 166.7 | 175.2 | 68.8 | 56.1 | 0 | 0 | 0 | 112.3 | P297 A301 A302 M303 | P297-D299 PolarHBondContact O-N 3.26Å; D299-A301 VanDerWaalsContact C-N 3.28Å; D299-A301 PolarHBondContact O-N 3.23Å; D299-A301 WeakPolarHBondContact OD1-CA 3.43Å; D299-A301 WeakPolarHBondContact OD1-CB 3.43Å; D299-A301 PolarHBondContact OD1-N 2.9Å; D299-A302 WeakPolarHBondContact O-CB 3.34Å; D299-A302 PolarHBondContact O-N 3.14Å; D299-A302 VanDerWaalsContact O-N 3.13Å; D299-A302 WeakPolarHBondContact OD1-CB 3.28Å; D299-A302 PolarHBondContact OD1-N 3.36Å; D299-M303 WeakPolarHBondContact O-CG 3.35Å; D299-M303 PolarHBondContact O-N 3.37Å | ||
| 300 | A | 92.6 | Very high | 93.5 | Very high | 84 Ų | 84 | 78.3 Ų | 78.3 | 69% | 0.694 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -58.6 | -35.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | M303 V304 | A300-M303 PolarHBondContact O-N 3.16Å; A300-V304 PolarHBondContact O-N 3.4Å |
| 301 | A | 92.1 | Very high | 93.5 | Very high | 59 Ų | 59 | 83.1 Ų | 83.1 | 49% | 0.488 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -74.7 | -36 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D299 M303 V304 R305 | D299-A301 VanDerWaalsContact C-N 3.28Å; D299-A301 PolarHBondContact O-N 3.23Å; D299-A301 WeakPolarHBondContact OD1-CA 3.43Å; D299-A301 WeakPolarHBondContact OD1-CB 3.43Å; D299-A301 PolarHBondContact OD1-N 2.9Å; A301-M303 VanDerWaalsContact C-N 3.33Å; A301-V304 PolarHBondContact O-N 2.94Å; A301-R305 PolarHBondContact O-N 2.94Å |
| 302 | A | 91.3 | Very high | 93.6 | Very high | 7 Ų | 7 | 81.2 Ų | 81.2 | 6% | 0.058 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -65.1 | -37.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | P297 D299 V304 R305 I306 | P297-A302 WeakPolarHBondContact O-CB 3.34Å; D299-A302 WeakPolarHBondContact O-CB 3.34Å; D299-A302 PolarHBondContact O-N 3.14Å; D299-A302 VanDerWaalsContact O-N 3.13Å; D299-A302 WeakPolarHBondContact OD1-CB 3.28Å; D299-A302 PolarHBondContact OD1-N 3.36Å; A302-V304 PolarHBondContact O-N 2.68Å; A302-R305 PolarHBondContact O-N 2.95Å; A302-I306 WeakPolarHBondContact O-CD1 3.48Å; A302-I306 VanDerWaalsContact O-CG1 3.29Å; A302-I306 WeakPolarHBondContact O-CG1 3.28Å; A302-I306 PolarHBondContact O-N 3.42Å |
| 303 | M | 94.3 | Very high | 93.8 | Very high | 77 Ų | 77 | 77.9 Ų | 77.9 | 38% | 0.379 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59 | -47.6 | 175.9 | -72 | -56.6 | 93 | 0 | 0 | 111.7 | R298 D299 A300 A301 R305 I306 E307 | R298-M303 HydrophobicContact CB-CE 3.86Å; R298-M303 HydrophobicContact CG-CE 4.07Å; D299-M303 WeakPolarHBondContact O-CG 3.35Å; D299-M303 PolarHBondContact O-N 3.37Å; A300-M303 PolarHBondContact O-N 3.16Å; A301-M303 VanDerWaalsContact C-N 3.33Å; M303-R305 VanDerWaalsContact C-N 3.33Å; M303-R305 PolarHBondContact O-N 3.04Å; M303-I306 HydrophobicContact CE-CD1 3.59Å; M303-I306 PolarHBondContact O-N 2.88Å; M303-E307 PolarHBondContact O-N 2.87Å |
| 304 | V | 94.3 | Very high | 94.1 | Very high | 80 Ų | 80 | 79.6 Ų | 79.6 | 49% | 0.485 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 176.8 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | A300 A301 A302 I306 E307 M308 | A300-V304 PolarHBondContact O-N 3.4Å; A301-V304 PolarHBondContact O-N 2.94Å; A302-V304 PolarHBondContact O-N 2.68Å; V304-I306 VanDerWaalsContact C-N 3.35Å; V304-I306 PolarHBondContact O-N 2.6Å; V304-E307 PolarHBondContact O-N 2.97Å; V304-M308 HydrophobicContact CG1-SD 4.31Å; V304-M308 VanDerWaalsContact O-CG 3.32Å; V304-M308 WeakPolarHBondContact O-CG 3.35Å; V304-M308 PolarHBondContact O-N 3.13Å |
| 305 | R | 93 | Very high | 94.3 | Very high | 136 Ų | 136 | 80.7 Ų | 80.7 | 51% | 0.513 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 177.7 | -71.8 | -172.7 | -62.6 | -133.4 | -3.5 | 112.9 | A301 A302 M303 A309 | A301-R305 PolarHBondContact O-N 2.94Å; A302-R305 PolarHBondContact O-N 2.95Å; M303-R305 VanDerWaalsContact C-N 3.33Å; M303-R305 PolarHBondContact O-N 3.04Å; R305-A309 WeakPolarHBondContact O-CB 3.46Å; R305-A309 PolarHBondContact O-N 2.92Å |
| 306 | I | 95.4 | Very high | 94.5 | Very high | 13 Ų | 13 | 73.9 Ų | 73.9 | 7% | 0.067 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.8 | -44.3 | 177.3 | -71.2 | 160.2 | 0 | 0 | 0 | 110.2 | L290 L293 A302 M303 V304 M308 A309 Q310 | L290-I306 HydrophobicContact CD1-CG2 4.33Å; L293-I306 HydrophobicContact CB-CG1 4.08Å; A302-I306 WeakPolarHBondContact O-CD1 3.48Å; A302-I306 VanDerWaalsContact O-CG1 3.29Å; A302-I306 WeakPolarHBondContact O-CG1 3.28Å; A302-I306 PolarHBondContact O-N 3.42Å; M303-I306 HydrophobicContact CE-CD1 3.59Å; M303-I306 PolarHBondContact O-N 2.88Å; V304-I306 VanDerWaalsContact C-N 3.35Å; V304-I306 PolarHBondContact O-N 2.6Å; I306-M308 PolarHBondContact O-N 3.39Å; I306-A309 PolarHBondContact O-N 3.27Å; I306-Q310 HydrophobicContact CG2-CG 4.4Å; I306-Q310 VanDerWaalsContact O-CG 3.32Å; I306-Q310 WeakPolarHBondContact O-CG 3.45Å; I306-Q310 PolarHBondContact O-N 3.49Å |
| 307 | E | 95.6 | Very high | 94.9 | Very high | 135 Ų | 135 | 78.1 Ų | 78.1 | 63% | 0.631 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -59.7 | -44.9 | 176.2 | -173.2 | 177.5 | -170.8 | 0 | 0 | 111.5 | M303 V304 A309 Q310 Q311 | M303-E307 PolarHBondContact O-N 2.87Å; V304-E307 PolarHBondContact O-N 2.97Å; E307-A309 PolarHBondContact O-N 2.85Å; E307-Q310 WeakPolarHBondContact O-CB 3.41Å; E307-Q310 PolarHBondContact O-N 3.02Å; E307-Q311 PolarHBondContact O-N 2.71Å; E307-Q311 VanDerWaalsContact O-N 3.09Å |
| 308 | M | 94.6 | Very high | 95.4 | Very high | 129 Ų | 129 | 78.9 Ų | 78.9 | 64% | 0.635 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.2 | -42.5 | 173.9 | -68.7 | 179.3 | 73.5 | 0 | 0 | 112.5 | V304 I306 Q310 Q311 E312 | V304-M308 HydrophobicContact CG1-SD 4.31Å; V304-M308 VanDerWaalsContact O-CG 3.32Å; V304-M308 WeakPolarHBondContact O-CG 3.35Å; V304-M308 PolarHBondContact O-N 3.13Å; I306-M308 PolarHBondContact O-N 3.39Å; M308-Q310 VanDerWaalsContact C-N 3.34Å; M308-Q311 PolarHBondContact O-N 3.49Å; M308-E312 PolarHBondContact O-N 3.35Å; M308-E312 VanDerWaalsContact O-N 3.13Å |
| 309 | A | 95.6 | Very high | 95.8 | Very high | 9 Ų | 9 | 75.9 Ų | 75.9 | 7% | 0.074 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.6 | -35.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L290 L293 R305 I306 E307 E312 Y313 | L290-A309 HydrophobicContact CD1-CB 4.01Å; L293-A309 HydrophobicContact CD1-CB 3.62Å; R305-A309 WeakPolarHBondContact O-CB 3.46Å; R305-A309 PolarHBondContact O-N 2.92Å; I306-A309 PolarHBondContact O-N 3.27Å; E307-A309 PolarHBondContact O-N 2.85Å; A309-E312 PolarHBondContact O-N 3.4Å; A309-Y313 VanDerWaalsContact O-CB 3.31Å; A309-Y313 WeakPolarHBondContact O-CB 3.36Å; A309-Y313 PolarHBondContact O-N 3.46Å |
| 310 | Q | 97.4 | Very high | 96 | Very high | 91 Ų | 91 | 72.5 Ų | 72.5 | 43% | 0.425 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 173.8 | -75.9 | 176.5 | -16.5 | 0 | 0 | 111.5 | L290 I306 E307 M308 Y313 H314 | L290-Q310 HydrophobicContact CD1-CB 4.49Å; L290-Q310 HydrophobicContact CD1-CG 3.56Å; L290-Q310 HydrophobicContact CD2-CG 4.01Å; L290-Q310 HydrophobicContact CG-CG 4.45Å; I306-Q310 HydrophobicContact CG2-CG 4.4Å; I306-Q310 VanDerWaalsContact O-CG 3.32Å; I306-Q310 WeakPolarHBondContact O-CG 3.45Å; I306-Q310 PolarHBondContact O-N 3.49Å; E307-Q310 WeakPolarHBondContact O-CB 3.41Å; E307-Q310 PolarHBondContact O-N 3.02Å; M308-Q310 VanDerWaalsContact C-N 3.34Å; Q310-Y313 WeakPolarHBondContact O-CB 3.42Å; Q310-Y313 PolarHBondContact O-N 3.31Å; Q310-H314 PolarHBondContact O-N 2.88Å; Q310-H314 PolarHBondContact O-ND1 2.85Å |
| 311 | Q | 97.4 | Very high | 96.3 | Very high | 123 Ų | 123 | 72 Ų | 72 | 58% | 0.575 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.6 | -44.8 | 177.9 | -174.8 | 59.1 | 32.7 | 0 | 0 | 112.2 | E307 M308 H314 T315 | E307-Q311 PolarHBondContact O-N 2.71Å; E307-Q311 VanDerWaalsContact O-N 3.09Å; M308-Q311 PolarHBondContact O-N 3.49Å; Q311-H314 PolarHBondContact O-N 2.98Å; Q311-T315 PolarHBondContact O-N 3.4Å; Q311-T315 PolarHBondContact O-OG1 2.87Å |
| 312 | E | 95.9 | Very high | 96.6 | Very high | 53 Ų | 53 | 75.7 Ų | 75.7 | 25% | 0.248 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.7 | -39.2 | 176.8 | -68.6 | -79.9 | 129.4 | 0 | 0 | 111.3 | K146 Y286 M308 A309 H314 T315 H316 | K146-E312 WeakPolarHBondContact CE-OE2 3.43Å; K146-E312 IonicContact NZ-OE1 2.72Å; K146-E312 PolarHBondContact NZ-OE1 3.26Å; K146-E312 IonicContact NZ-OE2 2.92Å; K146-E312 PolarHBondContact NZ-OE2 2.94Å; K146-E312 VanDerWaalsContact NZ-OE2 3.1Å; Y286-E312 HydrophobicContact CD1-CB 3.65Å; Y286-E312 HydrophobicContact CE1-CB 3.63Å; Y286-E312 HydrophobicContact CE1-CG 4.21Å; M308-E312 PolarHBondContact O-N 3.35Å; M308-E312 VanDerWaalsContact O-N 3.13Å; A309-E312 PolarHBondContact O-N 3.4Å; E312-H314 VanDerWaalsContact C-N 3.34Å; E312-H314 PolarHBondContact O-N 3.22Å; E312-T315 WeakPolarHBondContact O-CB 3.39Å; E312-T315 PolarHBondContact O-N 3.47Å; E312-H316 PolarHBondContact O-CD2 3.45Å; E312-H316 VanDerWaalsContact O-CD2 3.23Å; E312-H316 PolarHBondContact O-N 2.93Å |
| 313 | Y | 97.7 | Very high | 96.9 | Very high | 43 Ų | 43 | 76.6 Ų | 76.6 | 17% | 0.169 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57 | -45.3 | 172.5 | 165.8 | -103.1 | 0 | 0 | 0 | 112 | F283 R287 L290 A309 Q310 T315 H316 R317 | F283-Y313 HydrophobicContact CD2-CD2 4.48Å; F283-Y313 HydrophobicContact CD2-CE2 4.07Å; F283-Y313 HydrophobicContact CE2-CD2 4.18Å; F283-Y313 AromaticContact CE2-CE2 3.36Å; F283-Y313 HydrophobicContact CE2-CE2 3.36Å; F283-Y313 AromaticContact CE2-CZ 3.88Å; F283-Y313 HydrophobicContact CZ-CE2 4.09Å; R287-Y313 HydrophobicContact CB-CD2 4.03Å; R287-Y313 HydrophobicContact CB-CE2 3.83Å; R287-Y313 HydrophobicContact CG-CE2 3.96Å; L290-Y313 HydrophobicContact CD2-CD1 3.91Å; L290-Y313 HydrophobicContact CD2-CG 3.88Å; A309-Y313 VanDerWaalsContact O-CB 3.31Å; A309-Y313 WeakPolarHBondContact O-CB 3.36Å; A309-Y313 PolarHBondContact O-N 3.46Å; Q310-Y313 WeakPolarHBondContact O-CB 3.42Å; Q310-Y313 PolarHBondContact O-N 3.31Å; Y313-T315 PolarHBondContact O-N 3.14Å; Y313-H316 PolarHBondContact O-N 2.94Å; Y313-R317 VanDerWaalsContact O-CB 3.32Å; Y313-R317 WeakPolarHBondContact O-CB 3.37Å; Y313-R317 PolarHBondContact O-N 3.46Å |
| 314 | H | 98.3 | Very high | 97.1 | Very high | 89 Ų | 89 | 76.9 Ų | 76.9 | 41% | 0.412 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 177.3 | -77.9 | 40.6 | 0 | 0 | 0 | 111.5 | Q310 Q311 E312 H316 R317 E318 | Q310-H314 PolarHBondContact O-N 2.88Å; Q310-H314 PolarHBondContact O-ND1 2.85Å; Q311-H314 PolarHBondContact O-N 2.98Å; E312-H314 VanDerWaalsContact C-N 3.34Å; E312-H314 PolarHBondContact O-N 3.22Å; H314-H316 PolarHBondContact O-N 3.17Å; H314-R317 WeakPolarHBondContact O-CB 3.33Å; H314-R317 PolarHBondContact O-N 2.72Å; H314-E318 WeakPolarHBondContact O-CG 3.4Å; H314-E318 PolarHBondContact O-N 2.96Å |
| 315 | T | 97.9 | Very high | 97.3 | Very high | 62 Ų | 62 | 75.9 Ų | 75.9 | 38% | 0.38 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.1 | -46.6 | 177.7 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | Q311 E312 Y313 K319 | Q311-T315 PolarHBondContact O-N 3.4Å; Q311-T315 PolarHBondContact O-OG1 2.87Å; E312-T315 WeakPolarHBondContact O-CB 3.39Å; E312-T315 PolarHBondContact O-N 3.47Å; Y313-T315 PolarHBondContact O-N 3.14Å; T315-K319 PolarHBondContact O-N 3.39Å; T315-K319 VanDerWaalsContact O-N 3.13Å |
| 316 | H | 98.1 | Very high | 97.6 | Very high | 17 Ų | 17 | 72.5 Ų | 72.5 | 8% | 0.079 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -72.1 | -32.7 | 178.9 | -76.2 | -74.4 | 0 | 0 | 0 | 112.8 | E282 Y286 E312 Y313 H314 K319 Y320 | E282-H316 IonicContact OE2-CE1 2.73Å; E282-H316 IonicContact OE2-ND1 2.78Å; E282-H316 PolarHBondContact OE2-ND1 3.18Å; Y286-H316 AromaticContact CD1-CD2 3.8Å; Y286-H316 AromaticContact CD2-CD2 3.59Å; Y286-H316 AromaticContact CD2-NE2 3.76Å; Y286-H316 AromaticContact CE1-CD2 3.89Å; Y286-H316 AromaticContact CE1-NE2 3.86Å; Y286-H316 AromaticContact CE2-CD2 3.71Å; Y286-H316 AromaticContact CE2-CE1 3.96Å; Y286-H316 AromaticContact CE2-NE2 3.36Å; Y286-H316 WeakPolarHBondContact CE2-NE2 3.33Å; Y286-H316 AromaticContact CG-CD2 3.62Å; Y286-H316 AromaticContact CZ-CD2 3.82Å; Y286-H316 AromaticContact CZ-NE2 3.38Å; E312-H316 PolarHBondContact O-CD2 3.45Å; E312-H316 VanDerWaalsContact O-CD2 3.23Å; E312-H316 PolarHBondContact O-N 2.93Å; Y313-H316 PolarHBondContact O-N 2.94Å; H314-H316 PolarHBondContact O-N 3.17Å; H316-K319 PolarHBondContact O-N 3.28Å; H316-Y320 WeakPolarHBondContact O-CB 3.5Å; H316-Y320 PolarHBondContact O-N 3.24Å |
| 317 | R | 98.4 | Very high | 97.8 | Very high | 116 Ų | 116 | 71.9 Ų | 71.9 | 44% | 0.438 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.4 | -48.6 | 172.8 | -175.3 | -178.5 | 173.9 | -154.5 | -2.1 | 111.7 | F283 Y313 H314 K319 Y320 E321 | F283-R317 HydrophobicContact CD2-CB 3.84Å; F283-R317 HydrophobicContact CD2-CG 4.28Å; F283-R317 HydrophobicContact CE2-CB 3.69Å; F283-R317 HydrophobicContact CE2-CG 3.75Å; F283-R317 HydrophobicContact CZ-CG 4.48Å; Y313-R317 VanDerWaalsContact O-CB 3.32Å; Y313-R317 WeakPolarHBondContact O-CB 3.37Å; Y313-R317 PolarHBondContact O-N 3.46Å; H314-R317 WeakPolarHBondContact O-CB 3.33Å; H314-R317 PolarHBondContact O-N 2.72Å; R317-K319 VanDerWaalsContact C-N 3.31Å; R317-K319 PolarHBondContact O-N 2.89Å; R317-Y320 PolarHBondContact O-N 3.03Å; R317-E321 HydrophobicContact CG-CG 4.5Å; R317-E321 WeakPolarHBondContact O-CG 3.3Å; R317-E321 PolarHBondContact O-N 2.98Å |
| 318 | E | 98.6 | Very high | 97.9 | Very high | 117 Ų | 117 | 67.1 Ų | 67.1 | 55% | 0.547 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.7 | -39.9 | 177.5 | -72.4 | 178.8 | 179.1 | 0 | 0 | 112.1 | H314 R322 | H314-E318 WeakPolarHBondContact O-CG 3.4Å; H314-E318 PolarHBondContact O-N 2.96Å; E318-R322 VanDerWaalsContact O-CB 3.27Å; E318-R322 WeakPolarHBondContact O-CB 3.46Å; E318-R322 PolarHBondContact O-N 2.97Å |
| 319 | K | 98.5 | Very high | 98.1 | Very high | 75 Ų | 75 | 64.7 Ų | 64.7 | 33% | 0.326 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61 | -46.1 | 174.1 | -176.2 | -176.2 | 173.9 | -170.1 | 0 | 112 | A279 E282 T315 H316 R317 L323 | A279-K319 HydrophobicContact CB-CD 4.45Å; A279-K319 HydrophobicContact CB-CG 4.24Å; E282-K319 IonicContact OE1-NZ 3.14Å; E282-K319 IonicContact OE2-NZ 2.74Å; E282-K319 PolarHBondContact OE2-NZ 2.94Å; T315-K319 PolarHBondContact O-N 3.39Å; T315-K319 VanDerWaalsContact O-N 3.13Å; H316-K319 PolarHBondContact O-N 3.28Å; R317-K319 VanDerWaalsContact C-N 3.31Å; R317-K319 PolarHBondContact O-N 2.89Å; K319-L323 HydrophobicContact CG-CD1 4.14Å; K319-L323 PolarHBondContact O-N 3.4Å; K319-L323 VanDerWaalsContact O-N 3.1Å |
| 320 | Y | 98.6 | Very high | 98.2 | Very high | 7 Ų | 7 | 67.1 Ų | 67.1 | 3% | 0.027 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.5 | -51.5 | 177.2 | 164.4 | -103.6 | 0 | 0 | 0 | 112 | T169 Y276 R280 F283 H316 R317 R322 L323 R324 | T169-Y320 HydrophobicContact CG2-CE1 4.21Å; T169-Y320 HydrophobicContact CG2-CE2 4.38Å; T169-Y320 VanDerWaalsContact CG2-OH 3.29Å; T169-Y320 WeakPolarHBondContact CG2-OH 3.15Å; Y276-Y320 HydrophobicContact CD2-CD2 4.38Å; Y276-Y320 HydrophobicContact CD2-CE2 4.21Å; Y276-Y320 HydrophobicContact CE2-CD2 4.01Å; Y276-Y320 AromaticContact CE2-CE2 3.42Å; Y276-Y320 HydrophobicContact CE2-CE2 3.42Å; Y276-Y320 VanDerWaalsContact CE2-CE2 3.42Å; R280-Y320 HydrophobicContact CB-CD2 3.85Å; R280-Y320 HydrophobicContact CB-CE2 3.8Å; R280-Y320 HydrophobicContact CG-CD2 4.28Å; R280-Y320 HydrophobicContact CG-CE2 3.83Å; F283-Y320 HydrophobicContact CB-CG 4.34Å; F283-Y320 HydrophobicContact CD1-CD1 4.26Å; F283-Y320 HydrophobicContact CD1-CG 4.4Å; F283-Y320 HydrophobicContact CG-CD1 4.47Å; F283-Y320 HydrophobicContact CG-CG 4.39Å; H316-Y320 WeakPolarHBondContact O-CB 3.5Å; H316-Y320 PolarHBondContact O-N 3.24Å; R317-Y320 PolarHBondContact O-N 3.03Å; Y320-R322 VanDerWaalsContact C-N 3.33Å; Y320-R322 PolarHBondContact O-N 3.24Å; Y320-L323 PolarHBondContact O-N 2.93Å; Y320-R324 WeakPolarHBondContact O-CB 3.32Å; Y320-R324 PolarHBondContact O-N 2.88Å |
| 321 | E | 98.5 | Very high | 98.3 | Very high | 75 Ų | 75 | 63.6 Ų | 63.6 | 35% | 0.35 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.6 | -38.2 | -178.4 | -67.9 | -64.6 | 170.6 | 0 | 0 | 112 | R317 R324 S325 | R317-E321 HydrophobicContact CG-CG 4.5Å; R317-E321 WeakPolarHBondContact O-CG 3.3Å; R317-E321 PolarHBondContact O-N 2.98Å; E321-R324 WeakPolarHBondContact O-CB 3.43Å; E321-R324 PolarHBondContact O-N 3.41Å; E321-R324 IonicContact OE2-NH1 3.48Å; E321-R324 PolarHBondContact OE2-NH1 3.32Å; E321-S325 PolarHBondContact O-N 3.37Å |
| 322 | R | 98.6 | Very high | 98.3 | Very high | 136 Ų | 136 | 64.6 Ų | 64.6 | 51% | 0.513 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.7 | -51.9 | 174.3 | -171.3 | -174.2 | -54.8 | 98.5 | 4.3 | 111.4 | E318 Y320 R324 S325 D326 | E318-R322 VanDerWaalsContact O-CB 3.27Å; E318-R322 WeakPolarHBondContact O-CB 3.46Å; E318-R322 PolarHBondContact O-N 2.97Å; Y320-R322 VanDerWaalsContact C-N 3.33Å; Y320-R322 PolarHBondContact O-N 3.24Å; R322-R324 VanDerWaalsContact C-N 3.29Å; R322-R324 PolarHBondContact O-N 2.75Å; R322-S325 WeakPolarHBondContact O-CB 3.47Å; R322-S325 PolarHBondContact O-N 2.92Å; R322-S325 VanDerWaalsContact O-N 3.16Å; R322-D326 VanDerWaalsContact O-CG 3.24Å; R322-D326 PolarHBondContact O-N 3.23Å |
| 323 | L | 98.6 | Very high | 98.4 | Very high | 26 Ų | 26 | 68.5 Ų | 68.5 | 14% | 0.136 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.9 | -31.9 | -179.9 | -78.7 | 165.5 | 0 | 0 | 0 | 112.6 | H275 Y276 A279 K319 Y320 D326 V327 | H275-L323 HydrophobicContact CB-CD1 4.39Å; H275-L323 HydrophobicContact CB-CD2 4.09Å; Y276-L323 HydrophobicContact CD2-CB 4.48Å; A279-L323 HydrophobicContact CB-CD1 3.48Å; A279-L323 VanDerWaalsContact CB-CD1 3.48Å; K319-L323 HydrophobicContact CG-CD1 4.14Å; K319-L323 PolarHBondContact O-N 3.4Å; K319-L323 VanDerWaalsContact O-N 3.1Å; Y320-L323 PolarHBondContact O-N 2.93Å; L323-D326 PolarHBondContact O-N 2.89Å; L323-V327 WeakPolarHBondContact O-CG2 3.46Å; L323-V327 PolarHBondContact O-N 3.01Å |
| 324 | R | 98.7 | Very high | 98.5 | Very high | 83 Ų | 83 | 66.9 Ų | 66.9 | 31% | 0.313 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 172.5 | -174 | -175.3 | 173.6 | -159.4 | -0.6 | 111.3 | D171 L174 Y276 Y320 E321 R322 S328 | D171-R324 IonicContact OD2-CZ 3.73Å; D171-R324 IonicContact OD2-NE 3.33Å; D171-R324 PolarHBondContact OD2-NE 3.5Å; D171-R324 IonicContact OD2-NH2 2.73Å; D171-R324 PolarHBondContact OD2-NH2 3.41Å; L174-R324 HydrophobicContact CD2-CG 4.02Å; Y276-R324 HydrophobicContact CD2-CB 4.01Å; Y276-R324 HydrophobicContact CE2-CB 3.71Å; Y276-R324 HydrophobicContact CE2-CG 3.92Å; Y320-R324 WeakPolarHBondContact O-CB 3.32Å; Y320-R324 PolarHBondContact O-N 2.88Å; E321-R324 WeakPolarHBondContact O-CB 3.43Å; E321-R324 PolarHBondContact O-N 3.41Å; E321-R324 IonicContact OE2-NH1 3.48Å; E321-R324 PolarHBondContact OE2-NH1 3.32Å; R322-R324 VanDerWaalsContact C-N 3.29Å; R322-R324 PolarHBondContact O-N 2.75Å; R324-S328 PolarHBondContact O-N 3.13Å; R324-S328 VanDerWaalsContact O-N 3.12Å; R324-S328 PolarHBondContact O-OG 3.35Å |
| 325 | S | 98.5 | Very high | 98.5 | Very high | 59 Ų | 59 | 67 Ų | 67 | 41% | 0.413 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 173.4 | -177.7 | 0 | 0 | 0 | 0 | 111.5 | E321 R322 V327 S328 I329 | E321-S325 PolarHBondContact O-N 3.37Å; R322-S325 WeakPolarHBondContact O-CB 3.47Å; R322-S325 PolarHBondContact O-N 2.92Å; R322-S325 VanDerWaalsContact O-N 3.16Å; S325-V327 PolarHBondContact O-N 3.23Å; S325-S328 WeakPolarHBondContact O-CB 3.34Å; S325-S328 PolarHBondContact O-N 3.43Å; S325-I329 WeakPolarHBondContact O-CG1 3.5Å; S325-I329 PolarHBondContact O-N 3.42Å |
| 326 | D | 98.6 | Very high | 98.5 | Very high | 64 Ų | 64 | 69.2 Ų | 69.2 | 34% | 0.342 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.4 | -44.7 | -179.9 | -65.4 | -20.8 | 0 | 0 | 0 | 111.9 | T272 R322 L323 I329 K330 | T272-D326 HydrophobicContact CG2-CB 4.36Å; R322-D326 VanDerWaalsContact O-CG 3.24Å; R322-D326 PolarHBondContact O-N 3.23Å; L323-D326 PolarHBondContact O-N 2.89Å; D326-I329 PolarHBondContact O-N 3.36Å; D326-K330 WeakPolarHBondContact O-CB 3.49Å; D326-K330 WeakPolarHBondContact O-CG 3.38Å; D326-K330 PolarHBondContact O-N 3.19Å |
| 327 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62 | -45.8 | 175.6 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | L174 I178 T272 I273 Y276 L323 S325 I329 K330 L331 | L174-V327 HydrophobicContact CD1-CG1 3.92Å; L174-V327 HydrophobicContact CD2-CB 4.46Å; L174-V327 HydrophobicContact CD2-CG1 4.21Å; L174-V327 HydrophobicContact CG-CG1 4.27Å; I178-V327 HydrophobicContact CD1-CG1 4.47Å; T272-V327 HydrophobicContact CG2-CG2 3.98Å; I273-V327 HydrophobicContact CD1-CG1 4.49Å; I273-V327 HydrophobicContact CG1-CG1 3.68Å; I273-V327 HydrophobicContact CG1-CG2 4.1Å; Y276-V327 HydrophobicContact CG-CG2 4.07Å; L323-V327 WeakPolarHBondContact O-CG2 3.46Å; L323-V327 PolarHBondContact O-N 3.01Å; S325-V327 PolarHBondContact O-N 3.23Å; V327-I329 VanDerWaalsContact C-N 3.28Å; V327-I329 PolarHBondContact O-N 2.95Å; V327-K330 PolarHBondContact O-N 3.1Å; V327-L331 HydrophobicContact CG1-CD1 3.75Å; V327-L331 HydrophobicContact CG1-CG 4.19Å; V327-L331 WeakPolarHBondContact O-CB 3.43Å; V327-L331 VanDerWaalsContact O-CG 3.31Å; V327-L331 WeakPolarHBondContact O-CG 3.46Å; V327-L331 PolarHBondContact O-N 2.69Å |
| 328 | S | 98.5 | Very high | 98.4 | Very high | 35 Ų | 35 | 67.2 Ų | 67.2 | 25% | 0.245 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.6 | -40.5 | 179.8 | -58.3 | 0 | 0 | 0 | 0 | 112 | R324 S325 K332 | R324-S328 PolarHBondContact O-N 3.13Å; R324-S328 VanDerWaalsContact O-N 3.12Å; R324-S328 PolarHBondContact O-OG 3.35Å; S325-S328 WeakPolarHBondContact O-CB 3.34Å; S325-S328 PolarHBondContact O-N 3.43Å; S328-K332 WeakPolarHBondContact O-CG 3.29Å; S328-K332 PolarHBondContact O-N 3.2Å |
| 329 | I | 98.5 | Very high | 98.4 | Very high | 78 Ų | 78 | 65.4 Ų | 65.4 | 40% | 0.4 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -70 | -47.3 | 177.1 | -68.7 | 168.1 | 0 | 0 | 0 | 110.6 | S325 D326 V327 L331 K332 F333 | S325-I329 WeakPolarHBondContact O-CG1 3.5Å; S325-I329 PolarHBondContact O-N 3.42Å; D326-I329 PolarHBondContact O-N 3.36Å; V327-I329 VanDerWaalsContact C-N 3.28Å; V327-I329 PolarHBondContact O-N 2.95Å; I329-L331 VanDerWaalsContact C-N 3.33Å; I329-L331 PolarHBondContact O-N 2.89Å; I329-K332 PolarHBondContact O-N 2.9Å; I329-F333 HydrophobicContact CG2-CD2 3.58Å; I329-F333 HydrophobicContact CG2-CE2 3.34Å; I329-F333 VanDerWaalsContact O-CD2 3.28Å; I329-F333 WeakPolarHBondContact O-CD2 3.39Å; I329-F333 PolarHBondContact O-N 3.36Å; I329-F333 VanDerWaalsContact O-N 3.12Å |
| 330 | K | 98.4 | Very high | 98.4 | Very high | 61 Ų | 61 | 68.6 Ų | 68.6 | 27% | 0.265 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.5 | -39 | 179.4 | -80 | -159.9 | 176.1 | -166.1 | 0 | 112.8 | D268 T269 T272 D326 V327 K332 F333 L334 | D268-K330 IonicContact OD1-NZ 3.24Å; D268-K330 IonicContact OD2-NZ 2.77Å; D268-K330 PolarHBondContact OD2-NZ 3.17Å; T269-K330 HydrophobicContact CG2-CB 4.17Å; T272-K330 HydrophobicContact CG2-CD 4.02Å; T272-K330 WeakPolarHBondContact OG1-CD 3.27Å; T272-K330 WeakPolarHBondContact OG1-CE 3.46Å; T272-K330 PolarHBondContact OG1-NZ 3.06Å; D326-K330 WeakPolarHBondContact O-CB 3.49Å; D326-K330 WeakPolarHBondContact O-CG 3.38Å; D326-K330 PolarHBondContact O-N 3.19Å; V327-K330 PolarHBondContact O-N 3.1Å; K330-K332 VanDerWaalsContact C-N 3.32Å; K330-K332 PolarHBondContact O-N 3.36Å; K330-F333 PolarHBondContact O-N 3.31Å; K330-L334 VanDerWaalsContact O-CB 3.22Å; K330-L334 WeakPolarHBondContact O-CB 3.5Å; K330-L334 PolarHBondContact O-N 3.46Å |
| 331 | L | 98.8 | Very high | 98.4 | Very high | 17 Ų | 17 | 70 Ų | 70 | 9% | 0.089 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 176.2 | -75.3 | 169.8 | 0 | 0 | 0 | 111.9 | L174 Q177 I178 L181 T269 I273 V327 I329 L334 E335 | L174-L331 HydrophobicContact CD1-CD1 3.75Å; Q177-L331 HydrophobicContact CB-CD1 3.93Å; I178-L331 HydrophobicContact CG1-CD1 4.42Å; L181-L331 HydrophobicContact CB-CD2 4.29Å; L181-L331 HydrophobicContact CD2-CD2 3.72Å; T269-L331 HydrophobicContact CG2-CD2 4.04Å; T269-L331 HydrophobicContact CG2-CG 4.44Å; I273-L331 HydrophobicContact CD1-CD2 4.47Å; V327-L331 HydrophobicContact CG1-CD1 3.75Å; V327-L331 HydrophobicContact CG1-CG 4.19Å; V327-L331 WeakPolarHBondContact O-CB 3.43Å; V327-L331 VanDerWaalsContact O-CG 3.31Å; V327-L331 WeakPolarHBondContact O-CG 3.46Å; V327-L331 PolarHBondContact O-N 2.69Å; I329-L331 VanDerWaalsContact C-N 3.33Å; I329-L331 PolarHBondContact O-N 2.89Å; L331-L334 PolarHBondContact O-N 3.08Å; L331-E335 PolarHBondContact O-N 3.33Å |
| 332 | K | 98.1 | Very high | 98.4 | Very high | 144 Ų | 144 | 66.9 Ų | 66.9 | 63% | 0.626 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63.4 | -49.6 | 176 | -70.2 | 174.1 | -179.5 | 178.9 | 0 | 112 | S328 I329 K330 L334 E335 E336 | S328-K332 WeakPolarHBondContact O-CG 3.29Å; S328-K332 PolarHBondContact O-N 3.2Å; I329-K332 PolarHBondContact O-N 2.9Å; K330-K332 VanDerWaalsContact C-N 3.32Å; K330-K332 PolarHBondContact O-N 3.36Å; K332-L334 VanDerWaalsContact C-N 3.3Å; K332-L334 PolarHBondContact O-N 2.68Å; K332-E335 PolarHBondContact O-N 2.98Å; K332-E336 PolarHBondContact O-N 3.38Å |
| 333 | F | 98.3 | Very high | 98.4 | Very high | 135 Ų | 135 | 66.8 Ų | 66.8 | 59% | 0.592 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -61.5 | -39.5 | 176.7 | -77.4 | -63.2 | 0 | 0 | 0 | 112.5 | I329 K330 N337 | I329-F333 HydrophobicContact CG2-CD2 3.58Å; I329-F333 HydrophobicContact CG2-CE2 3.34Å; I329-F333 VanDerWaalsContact O-CD2 3.28Å; I329-F333 WeakPolarHBondContact O-CD2 3.39Å; I329-F333 PolarHBondContact O-N 3.36Å; I329-F333 VanDerWaalsContact O-N 3.12Å; K330-F333 PolarHBondContact O-N 3.31Å; F333-N337 WeakPolarHBondContact O-CB 3.45Å; F333-N337 PolarHBondContact O-N 2.7Å |
| 334 | L | 98.7 | Very high | 98.4 | Very high | 8 Ų | 8 | 71.7 Ų | 71.7 | 4% | 0.042 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64 | -41.9 | 177.2 | 178.7 | 63.8 | 0 | 0 | 0 | 111.2 | L181 T265 M266 T269 K330 L331 K332 N337 K338 | L181-L334 HydrophobicContact CD1-CD2 3.44Å; L181-L334 VanDerWaalsContact CD1-CD2 3.44Å; L181-L334 HydrophobicContact CD2-CD2 3.99Å; L181-L334 HydrophobicContact CG-CD2 4.36Å; T265-L334 HydrophobicContact CG2-CD1 3.74Å; M266-L334 HydrophobicContact CG-CD1 4.02Å; M266-L334 HydrophobicContact CG-CD2 4.25Å; T269-L334 HydrophobicContact CG2-CD2 3.92Å; K330-L334 VanDerWaalsContact O-CB 3.22Å; K330-L334 WeakPolarHBondContact O-CB 3.5Å; K330-L334 PolarHBondContact O-N 3.46Å; L331-L334 PolarHBondContact O-N 3.08Å; K332-L334 VanDerWaalsContact C-N 3.3Å; K332-L334 PolarHBondContact O-N 2.68Å; L334-N337 PolarHBondContact O-N 3.08Å; L334-K338 WeakPolarHBondContact O-CB 3.41Å; L334-K338 PolarHBondContact O-N 3.31Å |
| 335 | E | 98.2 | Very high | 98.4 | Very high | 91 Ų | 91 | 68.3 Ų | 68.3 | 43% | 0.425 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.9 | -47.2 | 179.2 | -175 | 56.9 | -154.8 | 0 | 0 | 111.3 | L331 K332 N337 K338 V339 | L331-E335 PolarHBondContact O-N 3.33Å; K332-E335 PolarHBondContact O-N 2.98Å; E335-N337 PolarHBondContact O-N 3.17Å; E335-K338 PolarHBondContact O-N 2.97Å; E335-K338 VanDerWaalsContact OE1-CE 3.31Å; E335-K338 WeakPolarHBondContact OE1-CE 3.32Å; E335-K338 IonicContact OE1-NZ 2.66Å; E335-K338 PolarHBondContact OE1-NZ 3.49Å; E335-K338 VanDerWaalsContact OE2-CE 3.27Å; E335-K338 WeakPolarHBondContact OE2-CE 3.27Å; E335-K338 IonicContact OE2-NZ 2.68Å; E335-K338 PolarHBondContact OE2-NZ 2.87Å; E335-V339 VanDerWaalsContact O-CG2 3.29Å; E335-V339 WeakPolarHBondContact O-CG2 3.37Å; E335-V339 PolarHBondContact O-N 2.92Å |
| 336 | E | 97.6 | Very high | 98.4 | Very high | 110 Ų | 110 | 69.7 Ų | 69.7 | 51% | 0.514 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 175.6 | -69.9 | -177.1 | -161.4 | 0 | 0 | 112.3 | K332 V339 K340 | K332-E336 PolarHBondContact O-N 3.38Å; E336-V339 PolarHBondContact O-N 3.4Å; E336-K340 WeakPolarHBondContact O-CG 3.47Å; E336-K340 PolarHBondContact O-N 2.65Å; E336-K340 VanDerWaalsContact O-N 3.12Å |
| 337 | N | 97.4 | Very high | 98.3 | Very high | 63 Ų | 63 | 69.8 Ų | 69.8 | 34% | 0.337 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 178.9 | -178 | -99.9 | 0 | 0 | 0 | 111.7 | F333 L334 E335 V339 K340 V341 | F333-N337 WeakPolarHBondContact O-CB 3.45Å; F333-N337 PolarHBondContact O-N 2.7Å; L334-N337 PolarHBondContact O-N 3.08Å; E335-N337 PolarHBondContact O-N 3.17Å; N337-V339 PolarHBondContact O-N 3.26Å; N337-K340 PolarHBondContact O-N 3.25Å; N337-V341 WeakPolarHBondContact O-CB 3.46Å; N337-V341 WeakPolarHBondContact O-CG2 3.17Å; N337-V341 PolarHBondContact O-N 2.87Å |
| 338 | K | 98.4 | Very high | 98.3 | Very high | 28 Ų | 28 | 72.7 Ų | 72.7 | 12% | 0.122 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58 | -49.1 | 178.3 | -178.7 | -153.4 | 72.5 | -177.2 | 0 | 110.7 | T184 Y188 L261 M266 L334 E335 M342 | T184-K338 HydrophobicContact CG2-CD 4.04Å; Y188-K338 HydrophobicContact CE2-CD 4.33Å; Y188-K338 HydrophobicContact CE2-CG 3.97Å; L261-K338 HydrophobicContact CD1-CB 4.42Å; L261-K338 HydrophobicContact CD2-CG 4.22Å; M266-K338 HydrophobicContact CE-CD 4.2Å; M266-K338 HydrophobicContact CE-CG 4Å; L334-K338 WeakPolarHBondContact O-CB 3.41Å; L334-K338 PolarHBondContact O-N 3.31Å; E335-K338 PolarHBondContact O-N 2.97Å; E335-K338 VanDerWaalsContact OE1-CE 3.31Å; E335-K338 WeakPolarHBondContact OE1-CE 3.32Å; E335-K338 IonicContact OE1-NZ 2.66Å; E335-K338 PolarHBondContact OE1-NZ 3.49Å; E335-K338 VanDerWaalsContact OE2-CE 3.27Å; E335-K338 WeakPolarHBondContact OE2-CE 3.27Å; E335-K338 IonicContact OE2-NZ 2.68Å; E335-K338 PolarHBondContact OE2-NZ 2.87Å; K338-M342 HydrophobicContact CG-CG 4.45Å; K338-M342 VanDerWaalsContact O-CB 3.27Å; K338-M342 WeakPolarHBondContact O-CB 3.28Å; K338-M342 VanDerWaalsContact O-CG 3.3Å; K338-M342 WeakPolarHBondContact O-CG 3.39Å; K338-M342 PolarHBondContact O-N 3.43Å |
| 339 | V | 98.5 | Very high | 98.3 | Very high | 79 Ų | 79 | 73.6 Ų | 73.6 | 48% | 0.479 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.6 | -48.2 | 179.1 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | E335 E336 N337 M342 H343 | E335-V339 VanDerWaalsContact O-CG2 3.29Å; E335-V339 WeakPolarHBondContact O-CG2 3.37Å; E335-V339 PolarHBondContact O-N 2.92Å; E336-V339 PolarHBondContact O-N 3.4Å; N337-V339 PolarHBondContact O-N 3.26Å; V339-M342 PolarHBondContact O-N 2.98Å; V339-H343 WeakPolarHBondContact O-CB 3.28Å; V339-H343 PolarHBondContact O-N 3.44Å |
| 340 | K | 98.1 | Very high | 98.3 | Very high | 141 Ų | 141 | 75.1 Ų | 75.1 | 61% | 0.613 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59.6 | -49.9 | 179.5 | -72 | 172.5 | -178.3 | 172.2 | 0 | 112.5 | E336 N337 K344 | E336-K340 WeakPolarHBondContact O-CG 3.47Å; E336-K340 PolarHBondContact O-N 2.65Å; E336-K340 VanDerWaalsContact O-N 3.12Å; N337-K340 PolarHBondContact O-N 3.25Å; K340-K344 PolarHBondContact O-N 2.96Å |
| 341 | V | 98.3 | Very high | 98.2 | Very high | 38 Ų | 38 | 75.8 Ų | 75.8 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.6 | -50.7 | -179.8 | 172.8 | 0 | 0 | 0 | 0 | 110.2 | L261 N337 H343 K344 Q345 | L261-V341 HydrophobicContact CB-CG1 4.31Å; L261-V341 HydrophobicContact CD2-CB 4.28Å; L261-V341 HydrophobicContact CD2-CG1 4.07Å; N337-V341 WeakPolarHBondContact O-CB 3.46Å; N337-V341 WeakPolarHBondContact O-CG2 3.17Å; N337-V341 PolarHBondContact O-N 2.87Å; V341-H343 PolarHBondContact O-N 3.27Å; V341-K344 PolarHBondContact O-N 3.43Å; V341-Q345 HydrophobicContact CG1-CG 4.04Å; V341-Q345 WeakPolarHBondContact O-CB 3.49Å; V341-Q345 VanDerWaalsContact O-CG 3.22Å; V341-Q345 WeakPolarHBondContact O-CG 3.36Å; V341-Q345 PolarHBondContact O-N 3.03Å |
| 342 | M | 98.6 | Very high | 98.2 | Very high | 9 Ų | 9 | 76 Ų | 76 | 4% | 0.044 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68.2 | -36.7 | -175.3 | -70 | -63.2 | -59.5 | 0 | 0 | 112.7 | Y188 V258 L261 K338 V339 K344 Q345 L346 | Y188-M342 HydrophobicContact CD2-SD 4.14Å; Y188-M342 HydrophobicContact CE1-CE 4.12Å; Y188-M342 HydrophobicContact CE2-CE 4.03Å; Y188-M342 HydrophobicContact CE2-CG 3.52Å; Y188-M342 HydrophobicContact CE2-SD 3.63Å; Y188-M342 WeakPolarHBondContact OH-CG 3.43Å; V258-M342 HydrophobicContact CG1-SD 4.5Å; V258-M342 HydrophobicContact CG2-SD 4.02Å; L261-M342 HydrophobicContact CD2-CG 3.66Å; L261-M342 HydrophobicContact CD2-SD 3.83Å; K338-M342 HydrophobicContact CG-CG 4.45Å; K338-M342 VanDerWaalsContact O-CB 3.27Å; K338-M342 WeakPolarHBondContact O-CB 3.28Å; K338-M342 VanDerWaalsContact O-CG 3.3Å; K338-M342 WeakPolarHBondContact O-CG 3.39Å; K338-M342 PolarHBondContact O-N 3.43Å; V339-M342 PolarHBondContact O-N 2.98Å; M342-K344 PolarHBondContact O-N 2.93Å; M342-Q345 PolarHBondContact O-N 3.41Å; M342-L346 HydrophobicContact CB-CD1 4.46Å; M342-L346 HydrophobicContact CE-CD1 4.2Å; M342-L346 HydrophobicContact CE-CD2 4.23Å; M342-L346 HydrophobicContact CE-CG 4.1Å; M342-L346 WeakPolarHBondContact O-CB 3.32Å; M342-L346 WeakPolarHBondContact O-CD1 3.5Å; M342-L346 WeakPolarHBondContact O-CG 3.41Å; M342-L346 PolarHBondContact O-N 3.29Å |
| 343 | H | 98.4 | Very high | 98.2 | Very high | 133 Ų | 133 | 71 Ų | 71 | 62% | 0.616 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -56.4 | -52.6 | 173.6 | 179.3 | 77.7 | 0 | 0 | 0 | 111.1 | V339 V341 Q345 L347 | V339-H343 WeakPolarHBondContact O-CB 3.28Å; V339-H343 PolarHBondContact O-N 3.44Å; V341-H343 PolarHBondContact O-N 3.27Å; H343-Q345 PolarHBondContact O-N 2.83Å; H343-L347 WeakPolarHBondContact O-CB 3.31Å; H343-L347 PolarHBondContact O-N 3.13Å; H343-L347 VanDerWaalsContact O-N 3.14Å |
| 344 | K | 98.3 | Very high | 98.2 | Very high | 130 Ų | 130 | 67 Ų | 67 | 57% | 0.565 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61 | -47.8 | 178.4 | -177.3 | 169.5 | -176.2 | 166.4 | 0 | 112.1 | K340 V341 M342 L347 L348 | K340-K344 PolarHBondContact O-N 2.96Å; V341-K344 PolarHBondContact O-N 3.43Å; M342-K344 PolarHBondContact O-N 2.93Å; K344-L347 PolarHBondContact O-N 3.39Å; K344-L348 HydrophobicContact CG-CD1 4.04Å; K344-L348 VanDerWaalsContact O-CG 3.31Å; K344-L348 WeakPolarHBondContact O-CG 3.44Å; K344-L348 PolarHBondContact O-N 3.25Å |
| 345 | Q | 98.6 | Very high | 98 | Very high | 11 Ų | 11 | 69.6 Ų | 69.6 | 5% | 0.051 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -69.5 | -39.4 | -175 | -66.1 | -53.9 | -42.2 | 0 | 0 | 112.7 | F254 S257 V258 V341 M342 H343 F349 | F254-Q345 HydrophobicContact CD2-CB 3.82Å; F254-Q345 WeakPolarHBondContact CD2-O 3.45Å; F254-Q345 HydrophobicContact CE2-CB 3.99Å; S257-Q345 PolarHBondContact OG-NE2 3.33Å; S257-Q345 PolarHBondContact OG-OE1 3.36Å; V258-Q345 HydrophobicContact CG2-CB 4.5Å; V341-Q345 HydrophobicContact CG1-CG 4.04Å; V341-Q345 WeakPolarHBondContact O-CB 3.49Å; V341-Q345 VanDerWaalsContact O-CG 3.22Å; V341-Q345 WeakPolarHBondContact O-CG 3.36Å; V341-Q345 PolarHBondContact O-N 3.03Å; M342-Q345 PolarHBondContact O-N 3.41Å; H343-Q345 PolarHBondContact O-N 2.83Å; Q345-F349 VanDerWaalsContact O-CB 3.3Å; Q345-F349 WeakPolarHBondContact O-CB 3.47Å; Q345-F349 PolarHBondContact O-N 3.04Å |
| 346 | L | 98.6 | Very high | 98 | Very high | 89 Ų | 89 | 66.2 Ų | 66.2 | 47% | 0.466 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.5 | -39.8 | 176.2 | -70.2 | 171 | 0 | 0 | 0 | 111.6 | F254 M342 F349 H350 | F254-L346 HydrophobicContact CE2-CD2 4.33Å; M342-L346 HydrophobicContact CB-CD1 4.46Å; M342-L346 HydrophobicContact CE-CD1 4.2Å; M342-L346 HydrophobicContact CE-CD2 4.23Å; M342-L346 HydrophobicContact CE-CG 4.1Å; M342-L346 WeakPolarHBondContact O-CB 3.32Å; M342-L346 WeakPolarHBondContact O-CD1 3.5Å; M342-L346 WeakPolarHBondContact O-CG 3.41Å; M342-L346 PolarHBondContact O-N 3.29Å; L346-F349 PolarHBondContact O-N 2.9Å; L346-H350 WeakPolarHBondContact O-CB 3.05Å; L346-H350 PolarHBondContact O-N 3.47Å |
| 347 | L | 98.3 | Very high | 97.9 | Very high | 65 Ų | 65 | 67.2 Ų | 67.2 | 34% | 0.34 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.7 | -47.5 | 177 | -174.7 | 62.7 | 0 | 0 | 0 | 111.7 | L35 H343 K344 F349 H350 N351 | L35-L347 HydrophobicContact CD1-CD2 4.14Å; H343-L347 WeakPolarHBondContact O-CB 3.31Å; H343-L347 PolarHBondContact O-N 3.13Å; H343-L347 VanDerWaalsContact O-N 3.14Å; K344-L347 PolarHBondContact O-N 3.39Å; L347-F349 VanDerWaalsContact C-N 3.32Å; L347-F349 PolarHBondContact O-N 2.98Å; L347-H350 PolarHBondContact O-N 3.49Å; L347-N351 WeakPolarHBondContact O-CB 3.29Å; L347-N351 VanDerWaalsContact O-CG 3.25Å; L347-N351 PolarHBondContact O-N 3.1Å |
| 348 | L | 97.9 | Very high | 97.7 | Very high | 62 Ų | 62 | 66.3 Ų | 66.3 | 33% | 0.325 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | 176.9 | -70.9 | 175.7 | 0 | 0 | 0 | 112 | F253 K344 N351 A352 | F253-L348 HydrophobicContact CE1-CD1 4.01Å; K344-L348 HydrophobicContact CG-CD1 4.04Å; K344-L348 VanDerWaalsContact O-CG 3.31Å; K344-L348 WeakPolarHBondContact O-CG 3.44Å; K344-L348 PolarHBondContact O-N 3.25Å; L348-N351 PolarHBondContact O-N 2.92Å; L348-A352 WeakPolarHBondContact O-CB 3.35Å; L348-A352 PolarHBondContact O-N 3.42Å |
| 349 | F | 98.4 | Very high | 97.4 | Very high | 53 Ų | 53 | 66.1 Ų | 66.1 | 23% | 0.232 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.5 | -48.9 | 175.7 | -179 | -91.2 | 0 | 0 | 0 | 111.4 | L198 I251 F254 Q345 L346 L347 N351 A352 I353 | L198-F349 HydrophobicContact CD2-CZ 4.31Å; I251-F349 HydrophobicContact CG1-CD2 4.41Å; I251-F349 HydrophobicContact CG1-CE2 3.97Å; I251-F349 HydrophobicContact CG2-CE2 4.07Å; F254-F349 HydrophobicContact CB-CD2 4.17Å; F254-F349 AromaticContact CD1-CD2 3.97Å; F254-F349 HydrophobicContact CD1-CD2 3.97Å; F254-F349 HydrophobicContact CD1-CE2 4.43Å; F254-F349 HydrophobicContact CD2-CB 3.83Å; F254-F349 HydrophobicContact CD2-CD2 4.21Å; F254-F349 HydrophobicContact CD2-CG 4.31Å; F254-F349 HydrophobicContact CE1-CD2 4.44Å; F254-F349 HydrophobicContact CE2-CB 4.22Å; F254-F349 HydrophobicContact CG-CB 4.27Å; F254-F349 AromaticContact CG-CD2 3.85Å; F254-F349 HydrophobicContact CG-CD2 3.85Å; F254-F349 HydrophobicContact CG-CG 4.4Å; Q345-F349 VanDerWaalsContact O-CB 3.3Å; Q345-F349 WeakPolarHBondContact O-CB 3.47Å; Q345-F349 PolarHBondContact O-N 3.04Å; L346-F349 PolarHBondContact O-N 2.9Å; L347-F349 VanDerWaalsContact C-N 3.32Å; L347-F349 PolarHBondContact O-N 2.98Å; F349-N351 PolarHBondContact O-N 3.4Å; F349-A352 PolarHBondContact O-N 3.47Å; F349-I353 HydrophobicContact CD1-CG1 4.28Å; F349-I353 HydrophobicContact CE1-CD1 4.5Å; F349-I353 HydrophobicContact CE1-CG1 3.94Å; F349-I353 HydrophobicContact CZ-CD1 4.26Å; F349-I353 HydrophobicContact CZ-CG1 4.14Å; F349-I353 VanDerWaalsContact O-CG1 3.28Å; F349-I353 WeakPolarHBondContact O-CG1 3.48Å; F349-I353 PolarHBondContact O-N 3.46Å; F349-I353 VanDerWaalsContact O-N 3.08Å |
| 350 | H | 98.1 | Very high | 97.1 | Very high | 110 Ų | 110 | 63 Ų | 63 | 51% | 0.509 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 178.5 | 177.8 | 71.1 | 0 | 0 | 0 | 112.6 | L346 L347 A352 I353 S354 | L346-H350 WeakPolarHBondContact O-CB 3.05Å; L346-H350 PolarHBondContact O-N 3.47Å; L347-H350 PolarHBondContact O-N 3.49Å; H350-A352 PolarHBondContact O-N 3.23Å; H350-I353 PolarHBondContact O-N 2.92Å; H350-S354 PolarHBondContact CE1-OG 3.48Å; H350-S354 PolarHBondContact NE2-OG 2.95Å; H350-S354 WeakPolarHBondContact O-CB 3.35Å; H350-S354 PolarHBondContact O-N 3.29Å; H350-S354 PolarHBondContact O-OG 3.45Å |
| 351 | N | 97.6 | Very high | 96.8 | Very high | 75 Ų | 75 | 62.7 Ų | 62.7 | 40% | 0.401 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 178.7 | -72.7 | -6.2 | 0 | 0 | 0 | 111.4 | L347 L348 F349 S354 A355 | L347-N351 WeakPolarHBondContact O-CB 3.29Å; L347-N351 VanDerWaalsContact O-CG 3.25Å; L347-N351 PolarHBondContact O-N 3.1Å; L348-N351 PolarHBondContact O-N 2.92Å; F349-N351 PolarHBondContact O-N 3.4Å; N351-S354 PolarHBondContact O-N 2.91Å; N351-A355 WeakPolarHBondContact O-CB 3.36Å; N351-A355 PolarHBondContact O-N 2.84Å |
| 352 | A | 98.1 | Very high | 96.2 | Very high | 21 Ų | 21 | 67.1 Ų | 67.1 | 17% | 0.174 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L247 A250 L348 F349 H350 A355 Y356 | L247-A352 HydrophobicContact CD1-CB 3.99Å; A250-A352 HydrophobicContact CB-CB 3.45Å; A250-A352 VanDerWaalsContact CB-CB 3.45Å; L348-A352 WeakPolarHBondContact O-CB 3.35Å; L348-A352 PolarHBondContact O-N 3.42Å; F349-A352 PolarHBondContact O-N 3.47Å; H350-A352 PolarHBondContact O-N 3.23Å; A352-A355 PolarHBondContact O-N 3.09Å; A352-Y356 WeakPolarHBondContact O-CB 3.47Å; A352-Y356 PolarHBondContact O-N 2.96Å |
| 353 | I | 97.9 | Very high | 95.4 | Very high | 41 Ų | 41 | 70.5 Ų | 70.5 | 21% | 0.21 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 176.6 | -67.2 | -74.1 | 0 | 0 | 0 | 110.5 | L247 I251 F349 H350 A355 Y356 F357 | L247-I353 HydrophobicContact CD1-CD1 3.85Å; L247-I353 HydrophobicContact CD1-CG1 4.32Å; L247-I353 HydrophobicContact CD2-CD1 4.16Å; I251-I353 HydrophobicContact CD1-CD1 4.48Å; F349-I353 HydrophobicContact CD1-CG1 4.28Å; F349-I353 HydrophobicContact CE1-CD1 4.5Å; F349-I353 HydrophobicContact CE1-CG1 3.94Å; F349-I353 HydrophobicContact CZ-CD1 4.26Å; F349-I353 HydrophobicContact CZ-CG1 4.14Å; F349-I353 VanDerWaalsContact O-CG1 3.28Å; F349-I353 WeakPolarHBondContact O-CG1 3.48Å; F349-I353 PolarHBondContact O-N 3.46Å; F349-I353 VanDerWaalsContact O-N 3.08Å; H350-I353 PolarHBondContact O-N 2.92Å; I353-A355 PolarHBondContact O-N 3.38Å; I353-Y356 PolarHBondContact O-N 2.9Å; I353-F357 HydrophobicContact CG2-CD2 3.98Å; I353-F357 HydrophobicContact CG2-CE2 3.93Å; I353-F357 VanDerWaalsContact O-CD2 3.24Å; I353-F357 WeakPolarHBondContact O-CD2 3.43Å; I353-F357 PolarHBondContact O-N 3.5Å |
| 354 | S | 97.8 | Very high | 94.7 | Very high | 49 Ų | 49 | 68.4 Ų | 68.4 | 34% | 0.343 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | -179.5 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | H350 N351 Y356 F357 A358 | H350-S354 PolarHBondContact CE1-OG 3.48Å; H350-S354 PolarHBondContact NE2-OG 2.95Å; H350-S354 WeakPolarHBondContact O-CB 3.35Å; H350-S354 PolarHBondContact O-N 3.29Å; H350-S354 PolarHBondContact O-OG 3.45Å; N351-S354 PolarHBondContact O-N 2.91Å; S354-Y356 PolarHBondContact O-N 2.97Å; S354-F357 PolarHBondContact O-N 3.28Å; S354-A358 VanDerWaalsContact O-CB 3.22Å; S354-A358 WeakPolarHBondContact O-CB 3.46Å; S354-A358 PolarHBondContact O-N 3.26Å |
| 355 | A | 95.9 | Very high | 94 | Very high | 64 Ų | 64 | 68 Ų | 68 | 53% | 0.529 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N351 A352 I353 G359 | N351-A355 WeakPolarHBondContact O-CB 3.36Å; N351-A355 PolarHBondContact O-N 2.84Å; A352-A355 PolarHBondContact O-N 3.09Å; I353-A355 PolarHBondContact O-N 3.38Å; A355-G359 WeakPolarHBondContact O-CA 3.47Å; A355-G359 PolarHBondContact O-N 3.13Å |
| 356 | Y | 96.9 | Very high | 92.9 | Very high | 20 Ų | 20 | 72.5 Ų | 72.5 | 8% | 0.078 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58.8 | -52.2 | 175.5 | 172.7 | -101.6 | 0 | 0 | 0 | 111.5 | F202 N243 L247 A352 I353 S354 N360 | F202-Y356 HydrophobicContact CE2-CE1 4.34Å; F202-Y356 HydrophobicContact CZ-CE1 4.12Å; F202-Y356 AromaticContact CZ-CE2 3.81Å; F202-Y356 HydrophobicContact CZ-CE2 3.81Å; F202-Y356 AromaticContact CZ-CZ 3.57Å; N243-Y356 HydrophobicContact CB-CD2 4.01Å; N243-Y356 HydrophobicContact CB-CE2 4.14Å; L247-Y356 HydrophobicContact CB-CD2 4.04Å; L247-Y356 HydrophobicContact CB-CG 4.26Å; L247-Y356 HydrophobicContact CD2-CD1 3.76Å; L247-Y356 HydrophobicContact CD2-CD2 3.99Å; L247-Y356 HydrophobicContact CD2-CE1 4.32Å; L247-Y356 HydrophobicContact CD2-CG 3.57Å; L247-Y356 HydrophobicContact CG-CG 4.46Å; A352-Y356 WeakPolarHBondContact O-CB 3.47Å; A352-Y356 PolarHBondContact O-N 2.96Å; I353-Y356 PolarHBondContact O-N 2.9Å; S354-Y356 PolarHBondContact O-N 2.97Å; Y356-N360 WeakPolarHBondContact CD2-ND2 3.32Å; Y356-N360 WeakPolarHBondContact CE1-ND2 3.48Å; Y356-N360 WeakPolarHBondContact CE2-ND2 3.48Å; Y356-N360 WeakPolarHBondContact O-CB 3.46Å; Y356-N360 PolarHBondContact O-N 3.46Å; Y356-N360 PolarHBondContact O-ND2 3.18Å |
| 357 | F | 96 | Very high | 91.7 | Very high | 130 Ų | 130 | 69.1 Ų | 69.1 | 57% | 0.57 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -70.2 | -42.4 | -177.8 | -72.8 | -68.8 | 0 | 0 | 0 | 112.8 | I353 S354 N360 Q361 | I353-F357 HydrophobicContact CG2-CD2 3.98Å; I353-F357 HydrophobicContact CG2-CE2 3.93Å; I353-F357 VanDerWaalsContact O-CD2 3.24Å; I353-F357 WeakPolarHBondContact O-CD2 3.43Å; I353-F357 PolarHBondContact O-N 3.5Å; S354-F357 PolarHBondContact O-N 3.28Å; F357-N360 PolarHBondContact O-N 3.35Å; F357-Q361 WeakPolarHBondContact O-CB 3.35Å; F357-Q361 PolarHBondContact O-N 3.5Å |
| 358 | A | 94.1 | Very high | 90.4 | Very high | 44 Ų | 44 | 71 Ų | 71 | 36% | 0.364 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.8 | -43.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S354 N360 Q361 Q362 | S354-A358 VanDerWaalsContact O-CB 3.22Å; S354-A358 WeakPolarHBondContact O-CB 3.46Å; S354-A358 PolarHBondContact O-N 3.26Å; A358-N360 PolarHBondContact O-N 2.89Å; A358-Q361 PolarHBondContact O-N 3.22Å; A358-Q362 WeakPolarHBondContact O-CG 3.32Å; A358-Q362 PolarHBondContact O-N 3.24Å; A358-Q362 VanDerWaalsContact O-N 3.09Å |
| 359 | G | 91 | Very high | 89 | Confident | 24 Ų | 24 | 73 Ų | 73 | 25% | 0.247 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.4 | -41.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A355 Q363 | A355-G359 WeakPolarHBondContact O-CA 3.47Å; A355-G359 PolarHBondContact O-N 3.13Å; G359-Q363 PolarHBondContact O-N 2.77Å |
| 360 | N | 92.6 | Very high | 87.4 | Confident | 14 Ų | 14 | 75.6 Ų | 75.6 | 8% | 0.075 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 174.6 | -72.4 | -24.1 | 0 | 0 | 0 | 112.4 | L240 N243 Y356 F357 A358 Q363 L364 | L240-N360 HydrophobicContact CD2-CB 4.04Å; N243-N360 WeakPolarHBondContact CB-OD1 3.47Å; N243-N360 PolarHBondContact ND2-OD1 3.36Å; Y356-N360 WeakPolarHBondContact CD2-ND2 3.32Å; Y356-N360 WeakPolarHBondContact CE1-ND2 3.48Å; Y356-N360 WeakPolarHBondContact CE2-ND2 3.48Å; Y356-N360 WeakPolarHBondContact O-CB 3.46Å; Y356-N360 PolarHBondContact O-N 3.46Å; Y356-N360 PolarHBondContact O-ND2 3.18Å; F357-N360 PolarHBondContact O-N 3.35Å; A358-N360 PolarHBondContact O-N 2.89Å; N360-Q363 PolarHBondContact O-N 3.01Å; N360-L364 WeakPolarHBondContact O-CB 3.49Å; N360-L364 PolarHBondContact O-N 3.49Å |
| 361 | Q | 91.9 | Very high | 85.8 | Confident | 135 Ų | 135 | 74.2 Ų | 74.2 | 63% | 0.631 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -60.9 | -51 | 177.9 | -179.8 | -177.7 | -12 | 0 | 0 | 111.6 | F357 A358 Q363 L364 E365 | F357-Q361 WeakPolarHBondContact O-CB 3.35Å; F357-Q361 PolarHBondContact O-N 3.5Å; A358-Q361 PolarHBondContact O-N 3.22Å; Q361-Q363 VanDerWaalsContact C-N 3.27Å; Q361-Q363 PolarHBondContact O-N 3.41Å; Q361-L364 PolarHBondContact O-N 3.49Å; Q361-E365 PolarHBondContact O-N 2.91Å |
| 362 | Q | 84.4 | Confident | 84 | Confident | 131 Ų | 131 | 76.7 Ų | 76.7 | 61% | 0.612 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -58.3 | -42.3 | -178.4 | -71.6 | 175.4 | 2.8 | 0 | 0 | 111.8 | A358 Q366 | A358-Q362 WeakPolarHBondContact O-CG 3.32Å; A358-Q362 PolarHBondContact O-N 3.24Å; A358-Q362 VanDerWaalsContact O-N 3.09Å; Q362-Q366 PolarHBondContact O-N 3.49Å |
| 363 | Q | 81.8 | Confident | 82.1 | Confident | 80 Ų | 80 | 81.2 Ų | 81.2 | 37% | 0.374 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -78.7 | -33.5 | -176.6 | -164.3 | 76.9 | 36.6 | 0 | 0 | 112.1 | L239 G359 N360 Q361 E365 Q366 T367 | L239-Q363 HydrophobicContact CD1-CB 4.13Å; L239-Q363 HydrophobicContact CD1-CG 3.58Å; L239-Q363 HydrophobicContact CD2-CB 3.56Å; L239-Q363 HydrophobicContact CD2-CG 3.22Å; L239-Q363 HydrophobicContact CG-CB 4.38Å; L239-Q363 HydrophobicContact CG-CG 3.95Å; G359-Q363 PolarHBondContact O-N 2.77Å; N360-Q363 PolarHBondContact O-N 3.01Å; Q361-Q363 VanDerWaalsContact C-N 3.27Å; Q361-Q363 PolarHBondContact O-N 3.41Å; Q363-E365 VanDerWaalsContact C-N 3.33Å; Q363-Q366 WeakPolarHBondContact O-CB 3.44Å; Q363-Q366 PolarHBondContact O-N 3.47Å; Q363-T367 PolarHBondContact O-N 3.46Å; Q363-T367 VanDerWaalsContact O-N 3.14Å; Q363-T367 PolarHBondContact O-OG1 3.2Å |
| 364 | L | 83.8 | Confident | 80.1 | Confident | 88 Ų | 88 | 85.1 Ų | 85.1 | 46% | 0.461 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.2 | -37.2 | 172.8 | -175.5 | 64.6 | 0 | 0 | 0 | 111.9 | T236 N360 Q361 Q366 T367 L368 | T236-L364 HydrophobicContact CG2-CD1 3.87Å; N360-L364 WeakPolarHBondContact O-CB 3.49Å; N360-L364 PolarHBondContact O-N 3.49Å; Q361-L364 PolarHBondContact O-N 3.49Å; L364-Q366 VanDerWaalsContact C-N 3.29Å; L364-Q366 PolarHBondContact O-N 2.89Å; L364-T367 PolarHBondContact O-N 2.98Å; L364-L368 PolarHBondContact O-N 2.76Å |
| 365 | E | 84.2 | Confident | 78.1 | Confident | 122 Ų | 122 | 85.9 Ų | 85.9 | 57% | 0.57 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -60.3 | -39.8 | 174.2 | -172.6 | 171 | -167.6 | 0 | 0 | 111.5 | Q361 Q363 L368 I369 | Q361-E365 PolarHBondContact O-N 2.91Å; Q363-E365 VanDerWaalsContact C-N 3.33Å; E365-L368 PolarHBondContact O-N 3.34Å; E365-I369 WeakPolarHBondContact O-CG1 3.27Å; E365-I369 PolarHBondContact O-N 2.9Å |
| 366 | Q | 75.3 | Confident | 76.2 | Confident | 106 Ų | 106 | 90.1 Ų | 90.1 | 50% | 0.495 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 173.6 | -66.7 | 178.1 | 0.5 | 0 | 0 | 112.4 | Q362 Q363 L364 I369 Q370 | Q362-Q366 PolarHBondContact O-N 3.49Å; Q363-Q366 WeakPolarHBondContact O-CB 3.44Å; Q363-Q366 PolarHBondContact O-N 3.47Å; L364-Q366 VanDerWaalsContact C-N 3.29Å; L364-Q366 PolarHBondContact O-N 2.89Å; Q366-I369 PolarHBondContact O-N 2.98Å; Q366-Q370 PolarHBondContact O-N 3.22Å |
| 367 | T | 73.4 | Confident | 74.4 | Confident | 18 Ų | 18 | 93.5 Ų | 93.5 | 11% | 0.11 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -65.7 | -37.7 | 176 | -53.2 | 0 | 0 | 0 | 0 | 111.9 | Q363 L364 I369 Q370 F371 | Q363-T367 PolarHBondContact O-N 3.46Å; Q363-T367 VanDerWaalsContact O-N 3.14Å; Q363-T367 PolarHBondContact O-OG1 3.2Å; L364-T367 PolarHBondContact O-N 2.98Å; T367-I369 VanDerWaalsContact C-N 3.34Å; T367-I369 PolarHBondContact O-N 3.08Å; T367-Q370 WeakPolarHBondContact O-CB 3.43Å; T367-Q370 PolarHBondContact O-N 2.99Å; T367-Q370 VanDerWaalsContact O-N 3.15Å; T367-F371 PolarHBondContact O-N 3.31Å |
| 368 | L | 70.3 | Confident | 72.5 | Confident | 104 Ų | 104 | 91.8 Ų | 91.8 | 55% | 0.545 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.8 | -38.7 | 178.2 | -156.2 | 91.6 | 0 | 0 | 0 | 112.1 | L364 E365 Q370 F371 N372 | L364-L368 PolarHBondContact O-N 2.76Å; E365-L368 PolarHBondContact O-N 3.34Å; L368-Q370 VanDerWaalsContact C-N 3.28Å; L368-Q370 PolarHBondContact O-N 3.11Å; L368-F371 WeakPolarHBondContact O-CB 3.47Å; L368-F371 PolarHBondContact O-N 3.33Å; L368-N372 PolarHBondContact O-N 3.02Å; L368-N372 VanDerWaalsContact O-N 3.07Å |
| 369 | I | 69.7 | Low | 70.7 | Confident | 105 Ų | 105 | 92.3 Ų | 92.3 | 54% | 0.538 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 174.8 | -66.6 | 164.9 | 0 | 0 | 0 | 110.5 | E365 Q366 T367 V373 | E365-I369 WeakPolarHBondContact O-CG1 3.27Å; E365-I369 PolarHBondContact O-N 2.9Å; Q366-I369 PolarHBondContact O-N 2.98Å; T367-I369 VanDerWaalsContact C-N 3.34Å; T367-I369 PolarHBondContact O-N 3.08Å; I369-V373 WeakPolarHBondContact O-CG2 3.31Å; I369-V373 PolarHBondContact O-N 3.39Å |
| 370 | Q | 64.5 | Low | 69.2 | Low | 106 Ų | 106 | 94.4 Ų | 94.4 | 50% | 0.495 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 176.4 | -67.7 | -178.5 | -8 | 0 | 0 | 112.4 | Y232 Q366 T367 L368 V373 K374 | Y232-Q370 HydrophobicContact CE1-CB 4.24Å; Q366-Q370 PolarHBondContact O-N 3.22Å; T367-Q370 WeakPolarHBondContact O-CB 3.43Å; T367-Q370 PolarHBondContact O-N 2.99Å; T367-Q370 VanDerWaalsContact O-N 3.15Å; L368-Q370 VanDerWaalsContact C-N 3.28Å; L368-Q370 PolarHBondContact O-N 3.11Å; Q370-V373 PolarHBondContact O-N 3.04Å; Q370-K374 PolarHBondContact O-N 3.35Å |
| 371 | F | 65.3 | Low | 67.6 | Low | 81 Ų | 81 | 100.3 Ų | 100.3 | 36% | 0.355 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.3 | -46.6 | 177.2 | -171.3 | -92.5 | 0 | 0 | 0 | 111.8 | Y232 T367 L368 V373 L375 | Y232-F371 AromaticContact CD2-CD2 3.7Å; Y232-F371 HydrophobicContact CD2-CD2 3.7Å; Y232-F371 HydrophobicContact CD2-CE2 4.43Å; Y232-F371 HydrophobicContact CE2-CD2 4.36Å; Y232-F371 HydrophobicContact CG-CD2 4.39Å; T367-F371 PolarHBondContact O-N 3.31Å; L368-F371 WeakPolarHBondContact O-CB 3.47Å; L368-F371 PolarHBondContact O-N 3.33Å; F371-V373 VanDerWaalsContact C-N 3.28Å; F371-V373 PolarHBondContact O-N 3.01Å; F371-L375 HydrophobicContact CD1-CD1 3.74Å; F371-L375 HydrophobicContact CD2-CD1 3.59Å; F371-L375 HydrophobicContact CE1-CD1 3.41Å; F371-L375 VanDerWaalsContact CE1-CD1 3.41Å; F371-L375 HydrophobicContact CE2-CD1 3.27Å; F371-L375 HydrophobicContact CG-CD1 3.82Å; F371-L375 HydrophobicContact CZ-CD1 3.16Å |
| 372 | N | 59.6 | Low | 66 | Low | 127 Ų | 127 | 102 Ų | 102 | 68% | 0.679 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -71 | -17.4 | -176.7 | -84.9 | 27.5 | 0 | 0 | 0 | 114.6 | L368 | L368-N372 PolarHBondContact O-N 3.02Å; L368-N372 VanDerWaalsContact O-N 3.07Å |
| 373 | V | 57.7 | Low | 64.7 | Low | 117 Ų | 117 | 99.2 Ų | 99.2 | 71% | 0.709 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -94.7 | -21.2 | -177.9 | 174.2 | 0 | 0 | 0 | 0 | 112.5 | I369 Q370 F371 | I369-V373 WeakPolarHBondContact O-CG2 3.31Å; I369-V373 PolarHBondContact O-N 3.39Å; Q370-V373 PolarHBondContact O-N 3.04Å; F371-V373 VanDerWaalsContact C-N 3.28Å; F371-V373 PolarHBondContact O-N 3.01Å |
| 374 | K | 55.5 | Low | 63.9 | Low | 123 Ų | 123 | 98.5 Ų | 98.5 | 54% | 0.535 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -113.1 | -15.9 | -166.1 | -76.5 | -177.9 | 170.3 | -173.1 | 0 | 117.1 | Y232 Q370 K376 | Y232-K374 VanDerWaalsContact OH-CB 3.24Å; Y232-K374 WeakPolarHBondContact OH-CB 3.27Å; Y232-K374 WeakPolarHBondContact OH-CD 3.43Å; Q370-K374 PolarHBondContact O-N 3.35Å; K374-K376 PolarHBondContact O-N 2.83Å; K374-K376 VanDerWaalsContact O-N 3.08Å |
| 375 | L | 55.8 | Low | 63.2 | Low | 64 Ų | 64 | 102.4 Ų | 102.4 | 34% | 0.335 | 54% | 0.539 | S | S | . | . | trans | -83.2 | 95.1 | -175.3 | -69.9 | 166.9 | 0 | 0 | 0 | 112.4 | D228 E229 F371 | D228-L375 HydrophobicContact CB-CD2 4.43Å; E229-L375 HydrophobicContact CG-CD2 3.84Å; E229-L375 WeakPolarHBondContact OE1-CD2 3.13Å; F371-L375 HydrophobicContact CD1-CD1 3.74Å; F371-L375 HydrophobicContact CD2-CD1 3.59Å; F371-L375 HydrophobicContact CE1-CD1 3.41Å; F371-L375 VanDerWaalsContact CE1-CD1 3.41Å; F371-L375 HydrophobicContact CE2-CD1 3.27Å; F371-L375 HydrophobicContact CG-CD1 3.82Å; F371-L375 HydrophobicContact CZ-CD1 3.16Å | ||
| 376 | K | 56.5 | Low | 62.5 | Low | 153 Ų | 153 | 103 Ų | 103 | 67% | 0.665 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -77.5 | 139.1 | 155.5 | -78.3 | -175.4 | 176.6 | -176.7 | 0 | 108.6 | K374 | K374-K376 PolarHBondContact O-N 2.83Å; K374-K376 VanDerWaalsContact O-N 3.08Å |
| 377 | P | 58.2 | Low | 62.2 | Low | 92 Ų | 92 | 104.9 Ų | 104.9 | 60% | 0.597 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 131.3 | -179.7 | 20.6 | -28.4 | 0 | 0 | 0 | 110.5 | G379 S380 | P377-G379 PolarHBondContact O-N 3.45Å; P377-S380 PolarHBondContact O-N 2.8Å; P377-S380 VanDerWaalsContact O-N 3.15Å |
| 378 | P | 56.3 | Low | 61.6 | Low | 94 Ų | 94 | 110.6 Ų | 110.6 | 61% | 0.61 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | 124.3 | 178 | 18.7 | -27.2 | 0 | 0 | 0 | 109.4 | ||
| 379 | G | 57.8 | Low | 60.5 | Low | 55 Ų | 55 | 115.5 Ų | 115.5 | 57% | 0.567 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 97 | 7.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | P377 D381 K382 | P377-G379 PolarHBondContact O-N 3.45Å; G379-D381 PolarHBondContact O-N 3.39Å; G379-D381 VanDerWaalsContact O-N 3.13Å; G379-K382 PolarHBondContact O-N 3.37Å |
| 380 | S | 58.7 | Low | 60.1 | Low | 68 Ų | 68 | 116.1 Ų | 116.1 | 48% | 0.476 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60 | -23.4 | 175.6 | 68.2 | 0 | 0 | 0 | 0 | 114.5 | P377 | P377-S380 PolarHBondContact O-N 2.8Å; P377-S380 VanDerWaalsContact O-N 3.15Å |
| 381 | D | 59.1 | Low | 59.8 | Low | 138 Ų | 138 | 116.6 Ų | 116.6 | 74% | 0.738 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | -1.1 | -172.3 | -63 | -4.4 | 0 | 0 | 0 | 113 | G379 | G379-D381 PolarHBondContact O-N 3.39Å; G379-D381 VanDerWaalsContact O-N 3.13Å |
| 382 | K | 58.8 | Low | 59.5 | Low | 170 Ų | 170 | 118.6 Ų | 118.6 | 74% | 0.739 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -137.2 | 127.6 | 178.7 | -68.3 | -177.3 | -179.1 | 175.4 | 0 | 110.4 | G379 | G379-K382 PolarHBondContact O-N 3.37Š|
| 383 | P | 57.4 | Low | 59.5 | Low | 73 Ų | 73 | 118.1 Ų | 118.1 | 47% | 0.474 | 62% | 0.62 | S | S | . | * | trans | -57.8 | 150.3 | 178.9 | 24.2 | -31.8 | 0 | 0 | 0 | 110.7 | E387 E388 | P383-E387 HydrophobicContact CB-CB 4.23Å; P383-E388 HydrophobicContact CG-CG 4.16Å | ||
| 384 | S | 63.6 | Low | 59.7 | Low | 64 Ų | 64 | 118.1 Ų | 118.1 | 45% | 0.448 | 61% | 0.614 | S | S | . | * | trans | -60.6 | 144.3 | 174.1 | -174.2 | 0 | 0 | 0 | 0 | 109 | L386 E387 | S384-L386 PolarHBondContact O-N 3.46Å; S384-E387 PolarHBondContact N-OE2 3.43Å; S384-E387 VanDerWaalsContact N-OE2 3.08Å; S384-E387 WeakPolarHBondContact O-CA 3.28Å; S384-E387 WeakPolarHBondContact O-CB 3.28Å; S384-E387 PolarHBondContact O-N 2.74Å | ||
| 385 | W | 70.4 | Confident | 59.9 | Low | 170 Ų | 170 | 117.8 Ų | 117.8 | 64% | 0.644 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -55.8 | -23.9 | 176.8 | 176.9 | 80.3 | 0 | 0 | 0 | 112.9 | E387 E388 | W385-E387 VanDerWaalsContact C-N 3.31Å; W385-E388 PolarHBondContact O-N 3.1Å |
| 386 | L | 69.6 | Low | 60.2 | Low | 135 Ų | 135 | 121.6 Ų | 121.6 | 71% | 0.707 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -72.2 | -19.4 | 173.4 | -76.1 | 164.2 | 0 | 0 | 0 | 114.2 | S384 | S384-L386 PolarHBondContact O-N 3.46Š|
| 387 | E | 67.5 | Low | 60.5 | Low | 145 Ų | 145 | 119.2 Ų | 119.2 | 68% | 0.678 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -90.2 | -9.8 | 177.1 | -65.5 | 173.8 | 152 | 0 | 0 | 112.3 | P383 S384 W385 | P383-E387 HydrophobicContact CB-CB 4.23Å; S384-E387 PolarHBondContact N-OE2 3.43Å; S384-E387 VanDerWaalsContact N-OE2 3.08Å; S384-E387 WeakPolarHBondContact O-CA 3.28Å; S384-E387 WeakPolarHBondContact O-CB 3.28Å; S384-E387 PolarHBondContact O-N 2.74Å; W385-E387 VanDerWaalsContact C-N 3.31Å |
| 388 | E | 61.2 | Low | 60.7 | Low | 138 Ų | 138 | 121.5 Ų | 121.5 | 65% | 0.645 | 64% | 0.641 | S | S | * | * | trans | -93.7 | 4.6 | 177.6 | -75.6 | -174.9 | 161.7 | 0 | 0 | 114.2 | P383 W385 | P383-E388 HydrophobicContact CG-CG 4.16Å; W385-E388 PolarHBondContact O-N 3.1Å | ||
| 389 | Q | 48.3 | Very low | 61.1 | Low | 208 Ų | 208 | 124 Ų | 124 | 97% | 0.972 | 64% | 0.644 | S | S | * | * | trans | -107.8 | 0 | 179.8 | -75.2 | -125.5 | -17.9 | 0 | 0 | 114.9 |
Retrieved 389 of 389 residues in 338.1 ms
(Link to these results)