| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 47.4 | Very low | 50.8 | Low | 227 Ų | 227 | 138.5 Ų | 138.5 | 100% | 1.118 | 83% | 0.825 | S | S | * | * | 0 | 120.7 | 0 | -66 | -58.8 | 146.4 | 0 | 0 | 106 | |||||
| 2 | P | 65.2 | Low | 50.3 | Low | 133 Ų | 133 | 142.6 Ų | 142.6 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | cis | -110.7 | 155.4 | 31.1 | 29.2 | -13.2 | 0 | 0 | 0 | 115.1 | ||||
| 3 | S | 43.2 | Very low | 50.3 | Low | 96 Ų | 96 | 146.4 Ų | 146.4 | 67% | 0.671 | 83% | 0.831 | S | S | * | * | trans | -89.1 | -172.3 | 168.9 | 174.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 4 | L | 53.9 | Low | 49.8 | Very low | 166 Ų | 166 | 142.6 Ų | 142.6 | 87% | 0.869 | 82% | 0.818 | S | S | * | * | trans | 95.5 | 133.4 | 169.9 | -46.3 | 178.3 | 0 | 0 | 0 | 114.2 | ||||
| 5 | A | 52 | Low | 50 | Low | 86 Ų | 86 | 141.7 Ų | 141.7 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | cis | -172.3 | 139.6 | -16.8 | 0 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 6 | S | 46 | Very low | 49.6 | Very low | 121 Ų | 121 | 142.3 Ų | 142.3 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | -71.1 | 152.7 | 166.7 | -52 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 7 | P | 63.2 | Low | 49.5 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -125.3 | 147.4 | 144.4 | 33.4 | -20.9 | 0 | 0 | 0 | 112 | ||||
| 8 | S | 44.3 | Very low | 49.2 | Very low | 105 Ų | 105 | 136.6 Ų | 136.6 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | -92 | 164.8 | -179.2 | -39.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 9 | K | 47.3 | Very low | 49.1 | Very low | 191 Ų | 191 | 138.8 Ų | 138.8 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | trans | 83 | 143.3 | 142.8 | -72.3 | -172.3 | 176.3 | -172.8 | 0 | 120.8 | ||||
| 10 | L | 45 | Very low | 48.8 | Very low | 162 Ų | 162 | 136.9 Ų | 136.9 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | 97 | 108.7 | 153.9 | -51 | -173.2 | 0 | 0 | 0 | 117.1 | ||||
| 11 | S | 51 | Low | 48.4 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | -176.5 | 89 | 128.8 | 173.9 | 0 | 0 | 0 | 0 | 109 | |||||
| 12 | E | 45.4 | Very low | 48.3 | Very low | 188 Ų | 188 | 134.3 Ų | 134.3 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -64 | 134.4 | 160.3 | -68.9 | 166.7 | 150.7 | 0 | 0 | 108.9 | ||||
| 13 | F | 50.1 | Low | 47 | Very low | 192 Ų | 192 | 136 Ų | 136 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | trans | -132.1 | 104 | 157.6 | -127.5 | -88.4 | 0 | 0 | 0 | 107.6 | ||||
| 14 | S | 42.7 | Very low | 46.9 | Very low | 93 Ų | 93 | 138.3 Ų | 138.3 | 65% | 0.65 | 80% | 0.799 | S | S | * | * | trans | -86 | 133.7 | 169.1 | -157.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 15 | T | 52.4 | Low | 46.2 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -158.9 | 120.9 | 146.7 | 39.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 16 | D | 45 | Very low | 46.1 | Very low | 151 Ų | 151 | 138.6 Ų | 138.6 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | trans | -64.1 | 154.9 | 177.3 | -55 | -63.9 | 0 | 0 | 0 | 113.2 | ||||
| 17 | G | 46.5 | Very low | 46.5 | Very low | 74 Ų | 74 | 137.6 Ų | 137.6 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | -153.5 | 69.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 18 | S | 44.8 | Very low | 45.8 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -69.8 | 128 | 167.5 | -78.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 19 | H | 46.6 | Very low | 46.5 | Very low | 179 Ų | 179 | 141.4 Ų | 141.4 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | -138.2 | 96.1 | 153 | -75.7 | -90.2 | 0 | 0 | 0 | 105.7 | ||||
| 20 | S | 43.1 | Very low | 46.9 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | 56.8 | 86.7 | 90.3 | -48.3 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 21 | S | 41.3 | Very low | 47.7 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | 73.7 | 101 | 99.2 | -68.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 22 | E | 44.8 | Very low | 48.3 | Very low | 194 Ų | 194 | 136.1 Ų | 136.1 | 91% | 0.907 | 75% | 0.753 | S | S | * | * | trans | -147.3 | 109.5 | 132.5 | -77.2 | -155.3 | 152.6 | 0 | 0 | 109.1 | ||||
| 23 | L | 38.6 | Very low | 49.2 | Very low | 168 Ų | 168 | 131.6 Ų | 131.6 | 88% | 0.88 | 73% | 0.734 | S | S | * | * | trans | -76.9 | 123.4 | 169 | -80.2 | 157 | 0 | 0 | 0 | 108.3 | ||||
| 24 | I | 40.2 | Very low | 49.9 | Very low | 146 Ų | 146 | 127 Ų | 127 | 75% | 0.749 | 71% | 0.713 | S | S | * | * | trans | -109.1 | 102.3 | 157.6 | -66.2 | 172.3 | 0 | 0 | 0 | 106.4 | I26 | I24-I26 HydrophobicContact CG2-CG1 4.41Š| ||
| 25 | S | 39.4 | Very low | 50.7 | Low | 109 Ų | 109 | 127.7 Ų | 127.7 | 76% | 0.762 | 71% | 0.71 | S | S | * | * | trans | -63.7 | 122.3 | 171.1 | -63.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 26 | I | 51.2 | Low | 51.1 | Low | 149 Ų | 149 | 129.2 Ų | 129.2 | 76% | 0.764 | 70% | 0.701 | S | S | * | * | trans | -124.6 | 124.9 | 159.9 | -57.8 | 179.3 | 0 | 0 | 0 | 106.7 | I24 | I24-I26 HydrophobicContact CG2-CG1 4.41Š| ||
| 27 | P | 53.5 | Low | 51.5 | Low | 99 Ų | 99 | 129.2 Ų | 129.2 | 64% | 0.643 | 70% | 0.698 | S | S | * | * | trans | -86 | 135.7 | -162.5 | 1.2 | 19.1 | 0 | 0 | 0 | 112.6 | E29 | P27-E29 VanDerWaalsContact C-N 3.29Å; P27-E29 PolarHBondContact O-N 2.93Å | ||
| 28 | D | 48.2 | Very low | 52.1 | Low | 148 Ų | 148 | 134.8 Ų | 134.8 | 79% | 0.791 | 70% | 0.696 | S | S | * | * | trans | 35.7 | 24.4 | 131.8 | -61.1 | -17.8 | 0 | 0 | 0 | 122.3 | ||||
| 29 | E | 58.9 | Low | 52.2 | Low | 164 Ų | 164 | 137.8 Ų | 137.8 | 77% | 0.766 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -81.4 | -16.9 | 173.3 | -74.1 | -171.7 | 159.4 | 0 | 0 | 113.9 | P27 | P27-E29 VanDerWaalsContact C-N 3.29Å; P27-E29 PolarHBondContact O-N 2.93Å |
| 30 | Y | 55.8 | Low | 52.2 | Low | 188 Ų | 188 | 137.9 Ų | 137.9 | 74% | 0.737 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -81 | -34.8 | -175 | -166.8 | -102.1 | 0 | 0 | 0 | 114 | ||
| 31 | E | 62.6 | Low | 52.5 | Low | 105 Ų | 105 | 138.5 Ų | 138.5 | 49% | 0.491 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -82.7 | -27.4 | 179.5 | -74.2 | -63.7 | 148.8 | 0 | 0 | 112.5 | L33 K34 D35 | E31-L33 VanDerWaalsContact C-N 3.33Å; E31-L33 PolarHBondContact O-N 2.76Å; E31-K34 WeakPolarHBondContact O-CB 3.21Å; E31-K34 PolarHBondContact O-N 2.9Å; E31-K34 IonicContact OE1-NZ 3.87Å; E31-K34 PolarHBondContact OE1-NZ 2.84Å; E31-K34 VanDerWaalsContact OE2-CD 3.27Å; E31-K34 WeakPolarHBondContact OE2-CD 3.16Å; E31-K34 IonicContact OE2-NZ 3.95Å; E31-D35 PolarHBondContact O-N 2.96Å |
| 32 | A | 63.3 | Low | 52.5 | Low | 59 Ų | 59 | 140.5 Ų | 140.5 | 49% | 0.488 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -68.5 | -27.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R36 | A32-R36 PolarHBondContact O-N 2.85Å |
| 33 | L | 64.1 | Low | 52.8 | Low | 93 Ų | 93 | 137.6 Ų | 137.6 | 49% | 0.487 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -73.6 | -29.1 | 172.7 | -95.1 | 159.1 | 0 | 0 | 0 | 112.6 | E31 M37 | E31-L33 VanDerWaalsContact C-N 3.33Å; E31-L33 PolarHBondContact O-N 2.76Å; L33-M37 PolarHBondContact O-N 3.44Å |
| 34 | K | 64.8 | Low | 52.8 | Low | 94 Ų | 94 | 138 Ų | 138 | 41% | 0.409 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -73.3 | -35 | -179.3 | -135.7 | -179.9 | -162 | 172.1 | 0 | 112.4 | E31 R38 | E31-K34 WeakPolarHBondContact O-CB 3.21Å; E31-K34 PolarHBondContact O-N 2.9Å; E31-K34 IonicContact OE1-NZ 3.87Å; E31-K34 PolarHBondContact OE1-NZ 2.84Å; E31-K34 VanDerWaalsContact OE2-CD 3.27Å; E31-K34 WeakPolarHBondContact OE2-CD 3.16Å; E31-K34 IonicContact OE2-NZ 3.95Å; K34-R38 WeakPolarHBondContact O-CG 3.23Å; K34-R38 PolarHBondContact O-N 3.29Å |
| 35 | D | 58.9 | Low | 52.6 | Low | 108 Ų | 108 | 136.3 Ų | 136.3 | 58% | 0.578 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -77.8 | -33.2 | 175.6 | -89.5 | -12.6 | 0 | 0 | 0 | 112.7 | E31 M37 R38 Q39 | E31-D35 PolarHBondContact O-N 2.96Å; D35-M37 VanDerWaalsContact C-N 3.31Å; D35-M37 PolarHBondContact O-N 3.03Å; D35-R38 PolarHBondContact O-N 3.3Å; D35-R38 VanDerWaalsContact O-N 3.14Å; D35-Q39 PolarHBondContact O-N 2.91Å |
| 36 | R | 61.5 | Low | 52.8 | Low | 161 Ų | 161 | 134.7 Ų | 134.7 | 61% | 0.608 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -67.6 | -30.3 | 174.7 | -171.5 | 164.6 | 51.3 | -140.3 | -5.7 | 112.9 | A32 | A32-R36 PolarHBondContact O-N 2.85Å |
| 37 | M | 54.5 | Low | 52.1 | Low | 152 Ų | 152 | 133 Ų | 133 | 75% | 0.749 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -17.3 | 172.3 | -78.4 | -170.8 | 56.8 | 0 | 0 | 114.2 | L33 D35 | L33-M37 PolarHBondContact O-N 3.44Å; D35-M37 VanDerWaalsContact C-N 3.31Å; D35-M37 PolarHBondContact O-N 3.03Å |
| 38 | R | 57.2 | Low | 52.1 | Low | 191 Ų | 191 | 134.5 Ų | 134.5 | 72% | 0.721 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -10.9 | 176 | -75.9 | 176.4 | 174.2 | -143 | -1.9 | 113.2 | K34 D35 | K34-R38 WeakPolarHBondContact O-CG 3.23Å; K34-R38 PolarHBondContact O-N 3.29Å; D35-R38 PolarHBondContact O-N 3.3Å; D35-R38 VanDerWaalsContact O-N 3.14Å |
| 39 | Q | 47.5 | Very low | 51.9 | Low | 170 Ų | 170 | 133.4 Ų | 133.4 | 79% | 0.794 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -99 | -1.3 | -173 | -149.2 | 161.1 | 36.7 | 0 | 0 | 114.6 | D35 | D35-Q39 PolarHBondContact O-N 2.91Š|
| 40 | E | 46.1 | Very low | 51.4 | Low | 181 Ų | 181 | 132.2 Ų | 132.2 | 85% | 0.846 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -106.1 | 34.9 | 176.3 | -68.5 | -153.3 | 154.3 | 0 | 0 | 114.3 | ||
| 41 | V | 49.8 | Very low | 51 | Low | 114 Ų | 114 | 128.2 Ų | 128.2 | 69% | 0.691 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -111.2 | 4.3 | -178.8 | -171.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 42 | D | 40.7 | Very low | 50 | Low | 157 Ų | 157 | 130.6 Ų | 130.6 | 84% | 0.84 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -124.1 | 45.9 | -177.1 | -69.2 | -41.3 | 0 | 0 | 0 | 114.3 | ||
| 43 | V | 51.3 | Low | 49.2 | Very low | 133 Ų | 133 | 132.5 Ų | 132.5 | 81% | 0.806 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -145.9 | 127.7 | 162.5 | -169.5 | 0 | 0 | 0 | 0 | 111.1 | ||
| 44 | E | 38.9 | Very low | 48.1 | Very low | 176 Ų | 176 | 134.1 Ų | 134.1 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | trans | 70.7 | 80.9 | 165.1 | -82.3 | -177.7 | 141.5 | 0 | 0 | 119.6 | A46 | E44-A46 PolarHBondContact O-N 2.98Å; E44-A46 VanDerWaalsContact O-N 3.12Å | ||
| 45 | A | 35.5 | Very low | 47.1 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 93% | 0.926 | 77% | 0.768 | S | S | * | * | trans | -59.4 | 98.7 | 141.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 46 | A | 45.1 | Very low | 46.9 | Very low | 74 Ų | 74 | 138.5 Ų | 138.5 | 61% | 0.612 | 78% | 0.778 | S | S | * | * | trans | -145.6 | 103.9 | 159.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | E44 V48 | E44-A46 PolarHBondContact O-N 2.98Å; E44-A46 VanDerWaalsContact O-N 3.12Å; A46-V48 PolarHBondContact O-N 3.06Å | ||
| 47 | S | 36.4 | Very low | 46.2 | Very low | 114 Ų | 114 | 140 Ų | 140 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | -40.5 | 114.7 | 165.5 | 122.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 48 | V | 52.7 | Low | 45.4 | Very low | 131 Ų | 131 | 136.5 Ų | 136.5 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | -138.3 | 112.2 | 158.6 | -174.9 | 0 | 0 | 0 | 0 | 108.5 | A46 | A46-V48 PolarHBondContact O-N 3.06Š| ||
| 49 | N | 44.3 | Very low | 44.8 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 66% | 0.663 | 80% | 0.797 | S | S | * | * | trans | -67.4 | 133.3 | 169.3 | -59 | -77.1 | 0 | 0 | 0 | 109 | V51 | N49-V51 VanDerWaalsContact C-N 3.34Å; N49-V51 HydrophobicContact CB-CG2 3.72Å; N49-V51 PolarHBondContact O-N 3Å; N49-V51 VanDerWaalsContact O-N 3.09Å | ||
| 50 | P | 49 | Very low | 44.4 | Very low | 140 Ų | 140 | 134 Ų | 134 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -82.3 | 88.5 | 165.7 | 31.7 | -27.5 | 0 | 0 | 0 | 107.9 | ||||
| 51 | V | 46.7 | Very low | 44.5 | Very low | 103 Ų | 103 | 132.6 Ų | 132.6 | 62% | 0.624 | 79% | 0.792 | S | S | * | * | trans | -111.6 | 121.9 | 167.5 | -162.7 | 0 | 0 | 0 | 0 | 106.4 | N49 | N49-V51 VanDerWaalsContact C-N 3.34Å; N49-V51 HydrophobicContact CB-CG2 3.72Å; N49-V51 PolarHBondContact O-N 3Å; N49-V51 VanDerWaalsContact O-N 3.09Å | ||
| 52 | D | 42.2 | Very low | 44.5 | Very low | 156 Ų | 156 | 136.9 Ų | 136.9 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | 52 | 90.8 | 156.7 | -59.8 | -28 | 0 | 0 | 0 | 117.6 | ||||
| 53 | A | 45.2 | Very low | 45 | Very low | 99 Ų | 99 | 132.2 Ų | 132.2 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -145.5 | 59.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 54 | C | 42.6 | Very low | 45.1 | Very low | 127 Ų | 127 | 130 Ų | 130 | 86% | 0.858 | 78% | 0.777 | S | S | * | * | trans | -122.2 | 63.7 | 166.2 | -62.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 55 | H | 44.1 | Very low | 46.2 | Very low | 179 Ų | 179 | 125.6 Ų | 125.6 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | trans | -132.3 | 100.7 | 165.6 | -77.2 | -14.1 | 0 | 0 | 0 | 108.6 | ||||
| 56 | S | 53 | Low | 47.9 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -139.4 | 100.5 | 160.9 | -83.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 57 | F | 48.2 | Very low | 49.2 | Very low | 193 Ų | 193 | 127 Ų | 127 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | trans | 25.3 | 114.6 | 137 | -61.1 | -80.2 | 0 | 0 | 0 | 117.3 | N59 | F57-N59 PolarHBondContact O-N 3.08Š| ||
| 58 | G | 37.5 | Very low | 51.5 | Low | 77 Ų | 77 | 125 Ų | 125 | 79% | 0.794 | 73% | 0.734 | S | S | * | * | trans | -58.3 | 131 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 59 | N | 44 | Very low | 53.2 | Low | 155 Ų | 155 | 124.2 Ų | 124.2 | 83% | 0.829 | 72% | 0.724 | S | S | * | * | trans | -149.9 | 132.3 | 153.3 | -110.5 | -5.1 | 0 | 0 | 0 | 107.7 | F57 Q61 | F57-N59 PolarHBondContact O-N 3.08Å; N59-Q61 PolarHBondContact O-N 3.34Å | ||
| 60 | D | 39.7 | Very low | 55.4 | Low | 155 Ų | 155 | 123.8 Ų | 123.8 | 83% | 0.829 | 72% | 0.718 | S | S | * | * | trans | -47.4 | 115.4 | -177.9 | -55.2 | -70.6 | 0 | 0 | 0 | 112.8 | ||||
| 61 | Q | 48.6 | Very low | 57.4 | Low | 150 Ų | 150 | 122.1 Ų | 122.1 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | trans | -156.7 | 106.4 | 149.1 | -71.7 | -150 | 58.2 | 0 | 0 | 110.1 | N59 G63 N64 | N59-Q61 PolarHBondContact O-N 3.34Å; Q61-G63 PolarHBondContact O-N 3.44Å; Q61-N64 PolarHBondContact O-N 2.91Å | ||
| 62 | Q | 48.1 | Very low | 59.5 | Low | 205 Ų | 205 | 122.4 Ų | 122.4 | 96% | 0.958 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | 20.1 | 179 | -160.1 | 83.3 | 13.3 | 0 | 0 | 114.1 | ||
| 63 | G | 52.2 | Low | 62 | Low | 59 Ų | 59 | 120.5 Ų | 120.5 | 61% | 0.608 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.6 | -1.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q61 | Q61-G63 PolarHBondContact O-N 3.44Š|
| 64 | N | 54.2 | Low | 64.3 | Low | 87 Ų | 87 | 120.3 Ų | 120.3 | 47% | 0.465 | 66% | 0.664 | S | S | . | * | trans | -99.3 | -1.6 | -173.3 | -65.6 | -10 | 0 | 0 | 0 | 114.3 | Q61 T68 | Q61-N64 PolarHBondContact O-N 2.91Å; N64-T68 WeakPolarHBondContact O-CB 3.16Å; N64-T68 PolarHBondContact O-N 2.82Å; N64-T68 VanDerWaalsContact O-N 3.08Å; N64-T68 PolarHBondContact O-OG1 2.93Å | ||
| 65 | S | 60.2 | Low | 66.7 | Low | 82 Ų | 82 | 116 Ų | 116 | 57% | 0.573 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.8 | -34.9 | -178.2 | 50.5 | 0 | 0 | 0 | 0 | 112.5 | L69 | S65-L69 WeakPolarHBondContact O-CG 3.41Å; S65-L69 PolarHBondContact O-N 3.03Å |
| 66 | E | 72.3 | Confident | 69.1 | Low | 156 Ų | 156 | 112.3 Ų | 112.3 | 73% | 0.729 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70.8 | -43.4 | 179.4 | -163.8 | 170.9 | -170.6 | 0 | 0 | 111.2 | T68 L69 E70 | E66-T68 VanDerWaalsContact C-N 3.34Å; E66-T68 PolarHBondContact O-N 3.45Å; E66-L69 PolarHBondContact O-N 2.96Å; E66-E70 WeakPolarHBondContact O-CB 3.36Å; E66-E70 PolarHBondContact O-N 2.96Å |
| 67 | A | 72.9 | Confident | 71.1 | Confident | 61 Ų | 61 | 111.9 Ų | 111.9 | 50% | 0.504 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.7 | -35.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | H71 | A67-H71 VanDerWaalsContact O-CB 3.29Å; A67-H71 WeakPolarHBondContact O-CB 3.12Å; A67-H71 PolarHBondContact O-N 3.02Å |
| 68 | T | 84.1 | Confident | 73.3 | Confident | 72 Ų | 72 | 109.5 Ų | 109.5 | 44% | 0.442 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.5 | -44.3 | 174.9 | -53.1 | 0 | 0 | 0 | 0 | 111.3 | N64 E66 H71 E72 | N64-T68 WeakPolarHBondContact O-CB 3.16Å; N64-T68 PolarHBondContact O-N 2.82Å; N64-T68 VanDerWaalsContact O-N 3.08Å; N64-T68 PolarHBondContact O-OG1 2.93Å; E66-T68 VanDerWaalsContact C-N 3.34Å; E66-T68 PolarHBondContact O-N 3.45Å; T68-H71 PolarHBondContact O-N 2.66Å; T68-E72 WeakPolarHBondContact O-CG 3.39Å; T68-E72 PolarHBondContact O-N 2.67Å |
| 69 | L | 89.3 | Confident | 76 | Confident | 113 Ų | 113 | 111.8 Ų | 111.8 | 59% | 0.592 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.7 | -40.7 | 176.7 | -73.8 | 172.5 | 0 | 0 | 0 | 112.3 | S65 E66 H71 E72 L73 | S65-L69 WeakPolarHBondContact O-CG 3.41Å; S65-L69 PolarHBondContact O-N 3.03Å; E66-L69 PolarHBondContact O-N 2.96Å; L69-H71 VanDerWaalsContact C-N 3.34Å; L69-E72 PolarHBondContact O-N 3.13Å; L69-L73 WeakPolarHBondContact O-CB 3.35Å; L69-L73 PolarHBondContact O-N 3.23Å |
| 70 | E | 89.2 | Confident | 78.5 | Confident | 115 Ų | 115 | 110.1 Ų | 110.1 | 54% | 0.537 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.3 | -42.8 | 175.7 | -172.5 | 177.2 | -172.4 | 0 | 0 | 111.1 | E66 L73 Q74 | E66-E70 WeakPolarHBondContact O-CB 3.36Å; E66-E70 PolarHBondContact O-N 2.96Å; E70-L73 PolarHBondContact O-N 3.3Å; E70-Q74 WeakPolarHBondContact O-CG 3.32Å; E70-Q74 PolarHBondContact O-N 3.46Å |
| 71 | H | 91 | Very high | 81.1 | Confident | 106 Ų | 106 | 107.2 Ų | 107.2 | 49% | 0.491 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.4 | -43.6 | 174.3 | 178.1 | -88.9 | 0 | 0 | 0 | 112.4 | A67 T68 L69 L73 Q74 C75 | A67-H71 VanDerWaalsContact O-CB 3.29Å; A67-H71 WeakPolarHBondContact O-CB 3.12Å; A67-H71 PolarHBondContact O-N 3.02Å; T68-H71 PolarHBondContact O-N 2.66Å; L69-H71 VanDerWaalsContact C-N 3.34Å; H71-L73 VanDerWaalsContact C-N 3.35Å; H71-L73 PolarHBondContact O-N 2.9Å; H71-Q74 PolarHBondContact O-N 3.46Å; H71-C75 VanDerWaalsContact CE1-SG 3.53Å; H71-C75 PolarHBondContact O-N 3.33Å; H71-C75 PolarHBondContact O-SG 3.48Å; H71-C75 VanDerWaalsContact O-SG 3.38Å |
| 72 | E | 91.1 | Very high | 83.3 | Confident | 109 Ų | 109 | 105.6 Ų | 105.6 | 51% | 0.509 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 174.6 | -76.3 | -178.2 | -154.2 | 0 | 0 | 112.1 | T68 L69 C75 L76 | T68-E72 WeakPolarHBondContact O-CG 3.39Å; T68-E72 PolarHBondContact O-N 2.67Å; L69-E72 PolarHBondContact O-N 3.13Å; E72-C75 WeakPolarHBondContact O-CB 3.3Å; E72-C75 PolarHBondContact O-N 3.11Å; E72-L76 WeakPolarHBondContact O-CG 3.21Å; E72-L76 PolarHBondContact O-N 3.41Å |
| 73 | L | 94.3 | Very high | 85.6 | Confident | 115 Ų | 115 | 100 Ų | 100 | 60% | 0.602 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.5 | -41.8 | 175.3 | -174.3 | 68.6 | 0 | 0 | 0 | 111.6 | L69 E70 H71 L76 Q77 | L69-L73 WeakPolarHBondContact O-CB 3.35Å; L69-L73 PolarHBondContact O-N 3.23Å; E70-L73 PolarHBondContact O-N 3.3Å; H71-L73 VanDerWaalsContact C-N 3.35Å; H71-L73 PolarHBondContact O-N 2.9Å; L73-L76 PolarHBondContact O-N 3.33Å; L73-Q77 WeakPolarHBondContact O-CB 3.49Å; L73-Q77 PolarHBondContact O-N 3Å |
| 74 | Q | 93.6 | Very high | 87.6 | Confident | 95 Ų | 95 | 102.7 Ų | 102.7 | 44% | 0.444 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.3 | -35.8 | 174.9 | -72.3 | 176.8 | 14.8 | 0 | 0 | 112.4 | E70 H71 R78 | E70-Q74 WeakPolarHBondContact O-CG 3.32Å; E70-Q74 PolarHBondContact O-N 3.46Å; H71-Q74 PolarHBondContact O-N 3.46Å; Q74-R78 WeakPolarHBondContact O-CG 3.49Å; Q74-R78 PolarHBondContact O-N 3.09Å; Q74-R78 VanDerWaalsContact O-N 3.09Å; Q74-R78 PolarHBondContact O-NE 3.47Å |
| 75 | C | 92.2 | Very high | 89.6 | Confident | 38 Ų | 38 | 104 Ų | 104 | 26% | 0.257 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.7 | -49.1 | 171.1 | -74.5 | 0 | 0 | 0 | 0 | 111.2 | H71 E72 Q77 R78 E79 | H71-C75 VanDerWaalsContact CE1-SG 3.53Å; H71-C75 PolarHBondContact O-N 3.33Å; H71-C75 PolarHBondContact O-SG 3.48Å; H71-C75 VanDerWaalsContact O-SG 3.38Å; E72-C75 WeakPolarHBondContact O-CB 3.3Å; E72-C75 PolarHBondContact O-N 3.11Å; C75-Q77 VanDerWaalsContact C-N 3.32Å; C75-Q77 PolarHBondContact O-N 3.48Å; C75-R78 PolarHBondContact O-N 3.4Å; C75-R78 PolarHBondContact SG-NH2 3.33Å; C75-E79 PolarHBondContact O-N 3.34Å |
| 76 | L | 95.9 | Very high | 91.2 | Very high | 101 Ų | 101 | 103.7 Ų | 103.7 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.5 | -39.6 | 177.6 | -72.6 | 173.8 | 0 | 0 | 0 | 111.9 | E72 L73 E79 M80 | E72-L76 WeakPolarHBondContact O-CG 3.21Å; E72-L76 PolarHBondContact O-N 3.41Å; L73-L76 PolarHBondContact O-N 3.33Å; L76-E79 PolarHBondContact O-N 3.2Å; L76-M80 VanDerWaalsContact O-CG 3.31Å; L76-M80 WeakPolarHBondContact O-CG 3.48Å; L76-M80 PolarHBondContact O-N 3.22Å |
| 77 | Q | 94 | Very high | 92.3 | Very high | 106 Ų | 106 | 99.1 Ų | 99.1 | 50% | 0.495 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -45 | 176.3 | -173.8 | 176.7 | -25.7 | 0 | 0 | 111.5 | L73 C75 E79 M80 E81 | L73-Q77 WeakPolarHBondContact O-CB 3.49Å; L73-Q77 PolarHBondContact O-N 3Å; C75-Q77 VanDerWaalsContact C-N 3.32Å; C75-Q77 PolarHBondContact O-N 3.48Å; Q77-E79 PolarHBondContact O-N 3.01Å; Q77-M80 PolarHBondContact O-N 3.26Å; Q77-E81 PolarHBondContact NE2-OE1 3.24Å; Q77-E81 WeakPolarHBondContact O-CG 3.44Å; Q77-E81 PolarHBondContact O-N 3.03Å |
| 78 | R | 94.6 | Very high | 93.5 | Very high | 143 Ų | 143 | 100.5 Ų | 100.5 | 54% | 0.54 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 174 | -76.2 | -177.4 | -72.9 | 157 | -7.5 | 112.6 | Q74 C75 E81 H82 | Q74-R78 WeakPolarHBondContact O-CG 3.49Å; Q74-R78 PolarHBondContact O-N 3.09Å; Q74-R78 VanDerWaalsContact O-N 3.09Å; Q74-R78 PolarHBondContact O-NE 3.47Å; C75-R78 PolarHBondContact O-N 3.4Å; C75-R78 PolarHBondContact SG-NH2 3.33Å; R78-E81 PolarHBondContact O-N 2.96Å; R78-H82 WeakPolarHBondContact O-CB 3.43Å; R78-H82 PolarHBondContact O-N 2.84Å |
| 79 | E | 94.3 | Very high | 94.1 | Very high | 125 Ų | 125 | 103.3 Ų | 103.3 | 58% | 0.584 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.2 | -41.4 | 175.3 | -74.1 | -174.8 | 179.1 | 0 | 0 | 111.7 | C75 L76 Q77 H82 V83 | C75-E79 PolarHBondContact O-N 3.34Å; L76-E79 PolarHBondContact O-N 3.2Å; Q77-E79 PolarHBondContact O-N 3.01Å; E79-H82 PolarHBondContact O-N 3.47Å; E79-V83 WeakPolarHBondContact O-CG2 3.41Å; E79-V83 PolarHBondContact O-N 3.05Å |
| 80 | M | 95.5 | Very high | 94.4 | Very high | 120 Ų | 120 | 102.9 Ų | 102.9 | 59% | 0.591 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.8 | -42.1 | 175.4 | -70 | -147.9 | -46.1 | 0 | 0 | 112.3 | L76 Q77 H82 V83 Q84 | L76-M80 VanDerWaalsContact O-CG 3.31Å; L76-M80 WeakPolarHBondContact O-CG 3.48Å; L76-M80 PolarHBondContact O-N 3.22Å; Q77-M80 PolarHBondContact O-N 3.26Å; M80-H82 VanDerWaalsContact C-N 3.31Å; M80-H82 PolarHBondContact O-N 3.19Å; M80-V83 PolarHBondContact O-N 3.39Å; M80-Q84 WeakPolarHBondContact O-CG 3.32Å; M80-Q84 PolarHBondContact O-N 3.03Å |
| 81 | E | 96.1 | Very high | 94.7 | Very high | 93 Ų | 93 | 101.9 Ų | 101.9 | 44% | 0.435 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61 | -41.4 | 174.7 | -74 | 170.7 | -169 | 0 | 0 | 111.1 | Q77 R78 Q84 L85 | Q77-E81 PolarHBondContact NE2-OE1 3.24Å; Q77-E81 WeakPolarHBondContact O-CG 3.44Å; Q77-E81 PolarHBondContact O-N 3.03Å; R78-E81 PolarHBondContact O-N 2.96Å; E81-Q84 PolarHBondContact O-N 3.41Å; E81-L85 WeakPolarHBondContact O-CG 3.46Å; E81-L85 PolarHBondContact O-N 2.79Å |
| 82 | H | 95 | Very high | 95 | Very high | 116 Ų | 116 | 103.3 Ų | 103.3 | 54% | 0.537 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64 | -42.9 | 175.5 | -174.7 | 65.4 | 0 | 0 | 0 | 112.6 | R78 E79 M80 Q84 L85 E86 | R78-H82 WeakPolarHBondContact O-CB 3.43Å; R78-H82 PolarHBondContact O-N 2.84Å; E79-H82 PolarHBondContact O-N 3.47Å; M80-H82 VanDerWaalsContact C-N 3.31Å; M80-H82 PolarHBondContact O-N 3.19Å; H82-Q84 VanDerWaalsContact C-N 3.32Å; H82-Q84 PolarHBondContact O-N 2.86Å; H82-L85 PolarHBondContact O-N 3.43Å; H82-E86 PolarHBondContact O-N 3.49Å |
| 83 | V | 95.3 | Very high | 95.2 | Very high | 87 Ų | 87 | 103 Ų | 103 | 53% | 0.527 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.6 | -39.1 | 176.4 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | E79 M80 E86 C87 | E79-V83 WeakPolarHBondContact O-CG2 3.41Å; E79-V83 PolarHBondContact O-N 3.05Å; M80-V83 PolarHBondContact O-N 3.39Å; V83-E86 PolarHBondContact O-N 2.98Å; V83-C87 PolarHBondContact O-N 3.25Å; V83-C87 PolarHBondContact O-SG 3.43Å |
| 84 | Q | 94.6 | Very high | 95.4 | Very high | 117 Ų | 117 | 103.6 Ų | 103.6 | 55% | 0.547 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -47.1 | 175.1 | -74.6 | 174.4 | -9.1 | 0 | 0 | 111.4 | M80 E81 H82 E86 C87 D88 | M80-Q84 WeakPolarHBondContact O-CG 3.32Å; M80-Q84 PolarHBondContact O-N 3.03Å; E81-Q84 PolarHBondContact O-N 3.41Å; H82-Q84 VanDerWaalsContact C-N 3.32Å; H82-Q84 PolarHBondContact O-N 2.86Å; Q84-E86 VanDerWaalsContact C-N 3.34Å; Q84-E86 PolarHBondContact O-N 3.01Å; Q84-C87 WeakPolarHBondContact O-CB 3.39Å; Q84-C87 PolarHBondContact O-N 3.47Å; Q84-C87 VanDerWaalsContact O-N 3.15Å; Q84-D88 PolarHBondContact O-N 3.27Å |
| 85 | L | 95.3 | Very high | 95.5 | Very high | 115 Ų | 115 | 103 Ų | 103 | 60% | 0.602 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.3 | -40.9 | 176.8 | -72.3 | 171.4 | 0 | 0 | 0 | 112.7 | E81 H82 D88 R89 | E81-L85 WeakPolarHBondContact O-CG 3.46Å; E81-L85 PolarHBondContact O-N 2.79Å; H82-L85 PolarHBondContact O-N 3.43Å; L85-D88 PolarHBondContact O-N 2.86Å; L85-R89 VanDerWaalsContact O-CB 3.28Å; L85-R89 WeakPolarHBondContact O-CB 3.36Å; L85-R89 PolarHBondContact O-N 2.96Å |
| 86 | E | 95.5 | Very high | 95.7 | Very high | 74 Ų | 74 | 109.1 Ų | 109.1 | 35% | 0.346 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.1 | -36.4 | 175.6 | -79.3 | -70 | 125.9 | 0 | 0 | 112.1 | H82 V83 Q84 R89 L90 | H82-E86 PolarHBondContact O-N 3.49Å; V83-E86 PolarHBondContact O-N 2.98Å; Q84-E86 VanDerWaalsContact C-N 3.34Å; Q84-E86 PolarHBondContact O-N 3.01Å; E86-R89 IonicContact OE1-NH1 3.28Å; E86-R89 PolarHBondContact OE1-NH1 3.14Å; E86-L90 WeakPolarHBondContact O-CB 3.36Å; E86-L90 VanDerWaalsContact O-CG 3.29Å; E86-L90 WeakPolarHBondContact O-CG 3.49Å; E86-L90 PolarHBondContact O-N 3.34Å |
| 87 | C | 95 | Very high | 95.7 | Very high | 61 Ų | 61 | 106.9 Ų | 106.9 | 41% | 0.412 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.1 | -48.4 | 172.1 | -67.7 | 0 | 0 | 0 | 0 | 111.6 | V83 Q84 R89 L90 I91 | V83-C87 PolarHBondContact O-N 3.25Å; V83-C87 PolarHBondContact O-SG 3.43Å; Q84-C87 WeakPolarHBondContact O-CB 3.39Å; Q84-C87 PolarHBondContact O-N 3.47Å; Q84-C87 VanDerWaalsContact O-N 3.15Å; C87-R89 VanDerWaalsContact C-N 3.34Å; C87-R89 PolarHBondContact O-N 3.17Å; C87-L90 PolarHBondContact O-N 2.74Å; C87-I91 VanDerWaalsContact O-CG1 3.28Å; C87-I91 WeakPolarHBondContact O-CG1 3.49Å; C87-I91 PolarHBondContact O-N 3.12Å |
| 88 | D | 97 | Very high | 95.8 | Very high | 89 Ų | 89 | 105.4 Ų | 105.4 | 48% | 0.476 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 179 | -72.9 | -20.6 | 0 | 0 | 0 | 111.2 | Q84 L85 L90 I91 E92 | Q84-D88 PolarHBondContact O-N 3.27Å; L85-D88 PolarHBondContact O-N 2.86Å; D88-L90 VanDerWaalsContact C-N 3.34Å; D88-L90 PolarHBondContact O-N 3.03Å; D88-I91 PolarHBondContact O-N 3.08Å; D88-E92 WeakPolarHBondContact O-CG 3.17Å; D88-E92 PolarHBondContact O-N 3.2Å |
| 89 | R | 96.7 | Very high | 95.8 | Very high | 132 Ų | 132 | 102.7 Ų | 102.7 | 50% | 0.498 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.2 | -42.7 | 174.6 | -175.5 | -176.3 | -175.6 | -171.7 | 2.2 | 112.4 | L85 E86 C87 Q93 | L85-R89 VanDerWaalsContact O-CB 3.28Å; L85-R89 WeakPolarHBondContact O-CB 3.36Å; L85-R89 PolarHBondContact O-N 2.96Å; E86-R89 IonicContact OE1-NH1 3.28Å; E86-R89 PolarHBondContact OE1-NH1 3.14Å; C87-R89 VanDerWaalsContact C-N 3.34Å; C87-R89 PolarHBondContact O-N 3.17Å; R89-Q93 WeakPolarHBondContact O-CB 3.33Å; R89-Q93 VanDerWaalsContact O-CG 3.28Å; R89-Q93 WeakPolarHBondContact O-CG 3.3Å; R89-Q93 PolarHBondContact O-N 3.21Å |
| 90 | L | 95.6 | Very high | 95.9 | Very high | 104 Ų | 104 | 99 Ų | 99 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.3 | -40.1 | 176.4 | -76 | 169.4 | 0 | 0 | 0 | 111.7 | E86 C87 D88 Q93 H94 | E86-L90 WeakPolarHBondContact O-CB 3.36Å; E86-L90 VanDerWaalsContact O-CG 3.29Å; E86-L90 WeakPolarHBondContact O-CG 3.49Å; E86-L90 PolarHBondContact O-N 3.34Å; C87-L90 PolarHBondContact O-N 2.74Å; D88-L90 VanDerWaalsContact C-N 3.34Å; D88-L90 PolarHBondContact O-N 3.03Å; L90-Q93 PolarHBondContact O-N 3.09Å; L90-H94 WeakPolarHBondContact O-CB 3.42Å; L90-H94 PolarHBondContact O-N 3.41Å |
| 91 | I | 96.5 | Very high | 95.9 | Very high | 93 Ų | 93 | 99 Ų | 99 | 48% | 0.477 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.5 | -47.1 | 175.7 | -68.6 | 164.1 | 0 | 0 | 0 | 110.3 | C87 D88 Q93 H94 I95 | C87-I91 VanDerWaalsContact O-CG1 3.28Å; C87-I91 WeakPolarHBondContact O-CG1 3.49Å; C87-I91 PolarHBondContact O-N 3.12Å; D88-I91 PolarHBondContact O-N 3.08Å; I91-Q93 PolarHBondContact O-N 3.47Å; I91-H94 PolarHBondContact O-N 2.87Å; I91-I95 HydrophobicContact CG2-CD1 3.78Å; I91-I95 HydrophobicContact CG2-CG1 4.41Å; I91-I95 WeakPolarHBondContact O-CG1 3.42Å; I91-I95 PolarHBondContact O-N 3.43Å |
| 92 | E | 96.7 | Very high | 95.8 | Very high | 136 Ų | 136 | 99.3 Ų | 99.3 | 64% | 0.636 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.1 | -42.5 | 176.6 | -74.5 | -174.6 | 174.4 | 0 | 0 | 112.3 | D88 H94 I95 K96 | D88-E92 WeakPolarHBondContact O-CG 3.17Å; D88-E92 PolarHBondContact O-N 3.2Å; E92-H94 VanDerWaalsContact C-N 3.32Å; E92-H94 PolarHBondContact O-N 2.97Å; E92-I95 PolarHBondContact O-N 3.2Å; E92-K96 VanDerWaalsContact O-CB 3.28Å; E92-K96 WeakPolarHBondContact O-CB 3.45Å; E92-K96 PolarHBondContact O-N 3Å |
| 93 | Q | 96 | Very high | 95.8 | Very high | 103 Ų | 103 | 96.4 Ų | 96.4 | 48% | 0.481 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 174.3 | -76.9 | 179.2 | 9.4 | 0 | 0 | 111.6 | R89 L90 I91 K96 A97 | R89-Q93 WeakPolarHBondContact O-CB 3.33Å; R89-Q93 VanDerWaalsContact O-CG 3.28Å; R89-Q93 WeakPolarHBondContact O-CG 3.3Å; R89-Q93 PolarHBondContact O-N 3.21Å; L90-Q93 PolarHBondContact O-N 3.09Å; I91-Q93 PolarHBondContact O-N 3.47Å; Q93-K96 PolarHBondContact O-N 3.45Å; Q93-A97 WeakPolarHBondContact O-CB 3.39Å; Q93-A97 PolarHBondContact O-N 2.97Å |
| 94 | H | 97.2 | Very high | 95.7 | Very high | 127 Ų | 127 | 98.7 Ų | 98.7 | 59% | 0.588 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.9 | -46.9 | 177.3 | -170.6 | -76.8 | 0 | 0 | 0 | 111.6 | L90 I91 E92 K96 A97 E98 | L90-H94 WeakPolarHBondContact O-CB 3.42Å; L90-H94 PolarHBondContact O-N 3.41Å; I91-H94 PolarHBondContact O-N 2.87Å; E92-H94 VanDerWaalsContact C-N 3.32Å; E92-H94 PolarHBondContact O-N 2.97Å; H94-K96 VanDerWaalsContact C-N 3.3Å; H94-K96 PolarHBondContact O-N 2.82Å; H94-A97 PolarHBondContact O-N 3.2Å; H94-E98 WeakPolarHBondContact O-CB 3.37Å; H94-E98 PolarHBondContact O-N 2.91Å |
| 95 | I | 96.3 | Very high | 95.7 | Very high | 83 Ų | 83 | 99.1 Ų | 99.1 | 43% | 0.426 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 176.6 | -68.4 | 168.4 | 0 | 0 | 0 | 110.4 | I91 E92 E98 N99 | I91-I95 HydrophobicContact CG2-CD1 3.78Å; I91-I95 HydrophobicContact CG2-CG1 4.41Å; I91-I95 WeakPolarHBondContact O-CG1 3.42Å; I91-I95 PolarHBondContact O-N 3.43Å; E92-I95 PolarHBondContact O-N 3.2Å; I95-E98 PolarHBondContact O-N 3.48Å; I95-N99 WeakPolarHBondContact O-CB 3.28Å; I95-N99 VanDerWaalsContact O-CG 3.23Å; I95-N99 PolarHBondContact O-N 3.4Å; I95-N99 PolarHBondContact O-ND2 2.84Å |
| 96 | K | 96.5 | Very high | 95.6 | Very high | 167 Ų | 167 | 100 Ų | 100 | 73% | 0.726 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.4 | -44.1 | 176.8 | -174.2 | 177.5 | -179.6 | 177.9 | 0 | 111.8 | E92 Q93 H94 N99 A100 | E92-K96 VanDerWaalsContact O-CB 3.28Å; E92-K96 WeakPolarHBondContact O-CB 3.45Å; E92-K96 PolarHBondContact O-N 3Å; Q93-K96 PolarHBondContact O-N 3.45Å; H94-K96 VanDerWaalsContact C-N 3.3Å; H94-K96 PolarHBondContact O-N 2.82Å; K96-N99 PolarHBondContact O-N 3.45Å; K96-A100 WeakPolarHBondContact O-CB 3.42Å; K96-A100 PolarHBondContact O-N 3.08Å |
| 97 | A | 95.6 | Very high | 95.5 | Very high | 54 Ų | 54 | 101 Ų | 101 | 45% | 0.446 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.7 | -42 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q93 H94 A100 M101 | Q93-A97 WeakPolarHBondContact O-CB 3.39Å; Q93-A97 PolarHBondContact O-N 2.97Å; H94-A97 PolarHBondContact O-N 3.2Å; A97-A100 PolarHBondContact O-N 2.91Å; A97-M101 WeakPolarHBondContact O-CG 3.49Å; A97-M101 PolarHBondContact O-N 3.21Å |
| 98 | E | 95.9 | Very high | 95.4 | Very high | 74 Ų | 74 | 100.3 Ų | 100.3 | 35% | 0.346 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | 176 | -170.3 | -170.4 | 154 | 0 | 0 | 111.1 | H94 I95 A100 M101 K102 | H94-E98 WeakPolarHBondContact O-CB 3.37Å; H94-E98 PolarHBondContact O-N 2.91Å; I95-E98 PolarHBondContact O-N 3.48Å; E98-A100 PolarHBondContact O-N 3.3Å; E98-M101 PolarHBondContact O-N 3.37Å; E98-K102 WeakPolarHBondContact O-CB 3.44Å; E98-K102 WeakPolarHBondContact O-CG 3.44Å; E98-K102 PolarHBondContact O-N 2.88Å; E98-K102 WeakPolarHBondContact OE1-CE 3.41Å; E98-K102 IonicContact OE1-NZ 3.35Å; E98-K102 PolarHBondContact OE1-NZ 3.41Å |
| 99 | N | 96.2 | Very high | 95.2 | Very high | 86 Ų | 86 | 99.5 Ų | 99.5 | 46% | 0.46 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.4 | -38.8 | 175.9 | -72.5 | -24.9 | 0 | 0 | 0 | 112.2 | I95 K96 K102 S103 | I95-N99 WeakPolarHBondContact O-CB 3.28Å; I95-N99 VanDerWaalsContact O-CG 3.23Å; I95-N99 PolarHBondContact O-N 3.4Å; I95-N99 PolarHBondContact O-ND2 2.84Å; K96-N99 PolarHBondContact O-N 3.45Å; N99-K102 PolarHBondContact O-N 3.37Å; N99-S103 PolarHBondContact O-N 3.25Å |
| 100 | A | 96.4 | Very high | 95 | Very high | 48 Ų | 48 | 97.6 Ų | 97.6 | 40% | 0.397 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K96 A97 E98 S103 Q104 | K96-A100 WeakPolarHBondContact O-CB 3.42Å; K96-A100 PolarHBondContact O-N 3.08Å; A97-A100 PolarHBondContact O-N 2.91Å; E98-A100 PolarHBondContact O-N 3.3Å; A100-S103 PolarHBondContact O-N 2.66Å; A100-Q104 WeakPolarHBondContact O-CG 3.46Å; A100-Q104 PolarHBondContact O-N 3.42Å |
| 101 | M | 94.1 | Very high | 94.8 | Very high | 121 Ų | 121 | 98.3 Ų | 98.3 | 60% | 0.596 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.7 | -42.1 | 174.5 | -71.6 | -143.1 | -58.8 | 0 | 0 | 112.3 | A97 E98 S103 Q104 L105 | A97-M101 WeakPolarHBondContact O-CG 3.49Å; A97-M101 PolarHBondContact O-N 3.21Å; E98-M101 PolarHBondContact O-N 3.37Å; M101-S103 VanDerWaalsContact C-N 3.32Å; M101-S103 PolarHBondContact O-N 3.28Å; M101-Q104 PolarHBondContact O-N 3.28Å; M101-L105 WeakPolarHBondContact O-CG 3.36Å; M101-L105 PolarHBondContact O-N 3.45Å |
| 102 | K | 94.6 | Very high | 94.7 | Very high | 99 Ų | 99 | 98 Ų | 98 | 43% | 0.43 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58 | -44.5 | 174.3 | -76.3 | 174.3 | -176.7 | 164.8 | 0 | 111.3 | E98 N99 L105 Q106 | E98-K102 WeakPolarHBondContact O-CB 3.44Å; E98-K102 WeakPolarHBondContact O-CG 3.44Å; E98-K102 PolarHBondContact O-N 2.88Å; E98-K102 WeakPolarHBondContact OE1-CE 3.41Å; E98-K102 IonicContact OE1-NZ 3.35Å; E98-K102 PolarHBondContact OE1-NZ 3.41Å; N99-K102 PolarHBondContact O-N 3.37Å; K102-L105 PolarHBondContact O-N 3.4Å; K102-Q106 WeakPolarHBondContact O-CG 3.48Å; K102-Q106 PolarHBondContact O-N 3.23Å |
| 103 | S | 94.5 | Very high | 94.4 | Very high | 55 Ų | 55 | 94.7 Ų | 94.7 | 39% | 0.385 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 175.4 | -177.7 | 0 | 0 | 0 | 0 | 112.2 | N99 A100 M101 L105 Q106 N107 | N99-S103 PolarHBondContact O-N 3.25Å; A100-S103 PolarHBondContact O-N 2.66Å; M101-S103 VanDerWaalsContact C-N 3.32Å; M101-S103 PolarHBondContact O-N 3.28Å; S103-L105 PolarHBondContact O-N 3.21Å; S103-Q106 PolarHBondContact O-N 3.45Å; S103-N107 VanDerWaalsContact O-CG 3.25Å; S103-N107 PolarHBondContact O-N 3.1Å; S103-N107 PolarHBondContact O-ND2 3.43Å |
| 104 | Q | 93.3 | Very high | 94.2 | Very high | 135 Ų | 135 | 92.7 Ų | 92.7 | 63% | 0.631 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.1 | -41.9 | 175 | -73.4 | 179.8 | 13.9 | 0 | 0 | 112.5 | A100 M101 N107 A108 | A100-Q104 WeakPolarHBondContact O-CG 3.46Å; A100-Q104 PolarHBondContact O-N 3.42Å; M101-Q104 PolarHBondContact O-N 3.28Å; Q104-N107 PolarHBondContact O-N 2.89Å; Q104-A108 WeakPolarHBondContact O-CB 3.42Å; Q104-A108 PolarHBondContact O-N 3.02Å |
| 105 | L | 94.3 | Very high | 93.9 | Very high | 125 Ų | 125 | 91.1 Ų | 91.1 | 65% | 0.654 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.3 | -39.4 | 176.1 | -74.8 | 172.1 | 0 | 0 | 0 | 112.1 | M101 K102 S103 A108 S109 | M101-L105 WeakPolarHBondContact O-CG 3.36Å; M101-L105 PolarHBondContact O-N 3.45Å; K102-L105 PolarHBondContact O-N 3.4Å; S103-L105 PolarHBondContact O-N 3.21Å; L105-A108 PolarHBondContact O-N 3.44Å; L105-S109 WeakPolarHBondContact O-CB 3.43Å; L105-S109 PolarHBondContact O-N 3.37Å |
| 106 | Q | 93.1 | Very high | 93.6 | Very high | 134 Ų | 134 | 91.4 Ų | 91.4 | 63% | 0.626 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.8 | -47.1 | 173.1 | -74 | 175.9 | -6.2 | 0 | 0 | 111.1 | K102 S103 A108 S109 V110 | K102-Q106 WeakPolarHBondContact O-CG 3.48Å; K102-Q106 PolarHBondContact O-N 3.23Å; S103-Q106 PolarHBondContact O-N 3.45Å; Q106-A108 PolarHBondContact O-N 3.31Å; Q106-S109 WeakPolarHBondContact O-CB 3.32Å; Q106-S109 PolarHBondContact O-N 2.79Å; Q106-V110 WeakPolarHBondContact O-CG2 3.42Å; Q106-V110 PolarHBondContact O-N 2.94Å |
| 107 | N | 93.4 | Very high | 93.2 | Very high | 96 Ų | 96 | 89.2 Ų | 89.2 | 51% | 0.513 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 176.5 | -67.8 | -19.9 | 0 | 0 | 0 | 111.9 | S103 Q104 S109 V110 L111 | S103-N107 VanDerWaalsContact O-CG 3.25Å; S103-N107 PolarHBondContact O-N 3.1Å; S103-N107 PolarHBondContact O-ND2 3.43Å; Q104-N107 PolarHBondContact O-N 2.89Å; N107-S109 PolarHBondContact O-N 3.34Å; N107-V110 PolarHBondContact O-N 3.42Å; N107-L111 WeakPolarHBondContact O-CG 3.37Å; N107-L111 PolarHBondContact O-N 2.87Å |
| 108 | A | 93.4 | Very high | 92.8 | Very high | 45 Ų | 45 | 90.9 Ų | 90.9 | 37% | 0.372 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.7 | -39.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q104 L105 Q106 L111 V112 | Q104-A108 WeakPolarHBondContact O-CB 3.42Å; Q104-A108 PolarHBondContact O-N 3.02Å; L105-A108 PolarHBondContact O-N 3.44Å; Q106-A108 PolarHBondContact O-N 3.31Å; A108-L111 PolarHBondContact O-N 3.11Å; A108-V112 VanDerWaalsContact O-CG2 3.31Å; A108-V112 WeakPolarHBondContact O-CG2 3.42Å; A108-V112 PolarHBondContact O-N 2.91Å |
| 109 | S | 93.2 | Very high | 92.2 | Very high | 73 Ų | 73 | 93.2 Ų | 93.2 | 51% | 0.51 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 175.5 | -176.4 | 0 | 0 | 0 | 0 | 112.2 | L105 Q106 N107 V112 S113 | L105-S109 WeakPolarHBondContact O-CB 3.43Å; L105-S109 PolarHBondContact O-N 3.37Å; Q106-S109 WeakPolarHBondContact O-CB 3.32Å; Q106-S109 PolarHBondContact O-N 2.79Å; N107-S109 PolarHBondContact O-N 3.34Å; S109-V112 PolarHBondContact O-N 3.07Å; S109-S113 WeakPolarHBondContact O-CB 3.45Å; S109-S113 PolarHBondContact O-N 2.8Å; S109-S113 PolarHBondContact O-OG 3.27Å |
| 110 | V | 93.2 | Very high | 91.7 | Very high | 92 Ų | 92 | 95 Ų | 95 | 56% | 0.558 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.7 | -43.1 | 174.8 | 175.4 | 0 | 0 | 0 | 0 | 111 | Q106 N107 S113 T114 | Q106-V110 WeakPolarHBondContact O-CG2 3.42Å; Q106-V110 PolarHBondContact O-N 2.94Å; N107-V110 PolarHBondContact O-N 3.42Å; V110-S113 PolarHBondContact O-N 3.42Å; V110-T114 PolarHBondContact O-N 3.16Å; V110-T114 PolarHBondContact O-OG1 3.06Å |
| 111 | L | 91.6 | Very high | 90.8 | Very high | 118 Ų | 118 | 97.8 Ų | 97.8 | 62% | 0.618 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.2 | -45 | 176.5 | -71.3 | 174.8 | 0 | 0 | 0 | 112.3 | N107 A108 S113 T114 V115 | N107-L111 WeakPolarHBondContact O-CG 3.37Å; N107-L111 PolarHBondContact O-N 2.87Å; A108-L111 PolarHBondContact O-N 3.11Å; L111-S113 VanDerWaalsContact C-N 3.31Å; L111-S113 PolarHBondContact O-N 3.13Å; L111-T114 PolarHBondContact O-N 2.84Å; L111-V115 WeakPolarHBondContact O-CG2 3.21Å; L111-V115 PolarHBondContact O-N 3.41Å |
| 112 | V | 92.5 | Very high | 89.9 | Confident | 86 Ų | 86 | 96.8 Ų | 96.8 | 52% | 0.521 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 176.4 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | A108 S109 T114 V115 N116 | A108-V112 VanDerWaalsContact O-CG2 3.31Å; A108-V112 WeakPolarHBondContact O-CG2 3.42Å; A108-V112 PolarHBondContact O-N 2.91Å; S109-V112 PolarHBondContact O-N 3.07Å; V112-T114 VanDerWaalsContact C-N 3.34Å; V112-T114 PolarHBondContact O-N 3.25Å; V112-V115 PolarHBondContact O-N 3.4Å; V112-N116 WeakPolarHBondContact O-CB 3.42Å; V112-N116 VanDerWaalsContact O-CG 3.3Å; V112-N116 PolarHBondContact O-N 2.8Å; V112-N116 PolarHBondContact O-ND2 3.39Å |
| 113 | S | 90.6 | Very high | 88.8 | Confident | 68 Ų | 68 | 94.5 Ų | 94.5 | 48% | 0.476 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 176.7 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | S109 V110 L111 N116 Q117 | S109-S113 WeakPolarHBondContact O-CB 3.45Å; S109-S113 PolarHBondContact O-N 2.8Å; S109-S113 PolarHBondContact O-OG 3.27Å; V110-S113 PolarHBondContact O-N 3.42Å; L111-S113 VanDerWaalsContact C-N 3.31Å; L111-S113 PolarHBondContact O-N 3.13Å; S113-N116 PolarHBondContact O-N 3.28Å; S113-Q117 WeakPolarHBondContact O-CB 3.45Å; S113-Q117 PolarHBondContact O-N 2.99Å |
| 114 | T | 92.4 | Very high | 87.1 | Confident | 61 Ų | 61 | 95.9 Ų | 95.9 | 37% | 0.374 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 177.1 | -52.3 | 0 | 0 | 0 | 0 | 111.6 | V110 L111 V112 N116 Q117 L118 | V110-T114 PolarHBondContact O-N 3.16Å; V110-T114 PolarHBondContact O-OG1 3.06Å; L111-T114 PolarHBondContact O-N 2.84Å; V112-T114 VanDerWaalsContact C-N 3.34Å; V112-T114 PolarHBondContact O-N 3.25Å; T114-N116 PolarHBondContact O-N 3.19Å; T114-Q117 PolarHBondContact O-N 3.4Å; T114-L118 HydrophobicContact CG2-CD1 4.48Å; T114-L118 WeakPolarHBondContact O-CG 3.49Å; T114-L118 PolarHBondContact O-N 2.88Å |
| 115 | V | 91.6 | Very high | 85.5 | Confident | 93 Ų | 93 | 94.5 Ų | 94.5 | 56% | 0.564 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.8 | -41.8 | 177.2 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | L111 V112 Q117 L118 H119 | L111-V115 WeakPolarHBondContact O-CG2 3.21Å; L111-V115 PolarHBondContact O-N 3.41Å; V112-V115 PolarHBondContact O-N 3.4Å; V115-Q117 VanDerWaalsContact C-N 3.34Å; V115-Q117 PolarHBondContact O-N 2.79Å; V115-L118 PolarHBondContact O-N 3.26Å; V115-H119 WeakPolarHBondContact O-CB 3.47Å; V115-H119 PolarHBondContact O-N 2.86Å |
| 116 | N | 89.5 | Confident | 83.7 | Confident | 90 Ų | 90 | 94.4 Ų | 94.4 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 175.2 | -73.8 | -24.5 | 0 | 0 | 0 | 111.8 | V112 S113 T114 H119 L120 | V112-N116 WeakPolarHBondContact O-CB 3.42Å; V112-N116 VanDerWaalsContact O-CG 3.3Å; V112-N116 PolarHBondContact O-N 2.8Å; V112-N116 PolarHBondContact O-ND2 3.39Å; S113-N116 PolarHBondContact O-N 3.28Å; T114-N116 PolarHBondContact O-N 3.19Å; N116-H119 PolarHBondContact O-N 3.37Å; N116-L120 WeakPolarHBondContact O-CD1 3.42Å; N116-L120 WeakPolarHBondContact O-CG 3.39Å; N116-L120 PolarHBondContact O-N 2.88Å |
| 117 | Q | 88.6 | Confident | 81.7 | Confident | 121 Ų | 121 | 95.2 Ų | 95.2 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.9 | -43.4 | 175.5 | -168.5 | 175.2 | 32.3 | 0 | 0 | 111.8 | S113 T114 V115 L120 Q121 | S113-Q117 WeakPolarHBondContact O-CB 3.45Å; S113-Q117 PolarHBondContact O-N 2.99Å; T114-Q117 PolarHBondContact O-N 3.4Å; V115-Q117 VanDerWaalsContact C-N 3.34Å; V115-Q117 PolarHBondContact O-N 2.79Å; Q117-L120 PolarHBondContact O-N 2.83Å; Q117-Q121 WeakPolarHBondContact O-CG 3.36Å; Q117-Q121 PolarHBondContact O-N 3.05Å |
| 118 | L | 87.6 | Confident | 79.8 | Confident | 88 Ų | 88 | 94.9 Ų | 94.9 | 46% | 0.461 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 174.6 | -69.6 | 173.6 | 0 | 0 | 0 | 112.2 | T114 V115 Q121 N122 | T114-L118 HydrophobicContact CG2-CD1 4.48Å; T114-L118 WeakPolarHBondContact O-CG 3.49Å; T114-L118 PolarHBondContact O-N 2.88Å; V115-L118 PolarHBondContact O-N 3.26Å; L118-Q121 PolarHBondContact O-N 2.77Å; L118-N122 VanDerWaalsContact O-CG 3.28Å; L118-N122 PolarHBondContact O-N 3.43Å; L118-N122 PolarHBondContact O-ND2 3.42Å |
| 119 | H | 83 | Confident | 77.8 | Confident | 124 Ų | 124 | 98 Ų | 98 | 57% | 0.574 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.3 | -41 | 176.1 | -172.9 | 72.7 | 0 | 0 | 0 | 112 | V115 N116 N122 S123 | V115-H119 WeakPolarHBondContact O-CB 3.47Å; V115-H119 PolarHBondContact O-N 2.86Å; N116-H119 PolarHBondContact O-N 3.37Å; H119-N122 PolarHBondContact O-N 3.14Å; H119-S123 WeakPolarHBondContact O-CB 3.4Å; H119-S123 PolarHBondContact O-N 3.33Å; H119-S123 PolarHBondContact O-OG 2.89Å |
| 120 | L | 84.1 | Confident | 75.8 | Confident | 123 Ų | 123 | 98.8 Ų | 98.8 | 64% | 0.644 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64 | -41.5 | 174 | -74.1 | 157.7 | 0 | 0 | 0 | 111.7 | N116 Q117 S123 C124 | N116-L120 WeakPolarHBondContact O-CD1 3.42Å; N116-L120 WeakPolarHBondContact O-CG 3.39Å; N116-L120 PolarHBondContact O-N 2.88Å; Q117-L120 PolarHBondContact O-N 2.83Å; L120-S123 PolarHBondContact O-N 3.45Å; L120-C124 PolarHBondContact O-N 3.07Å; L120-C124 VanDerWaalsContact O-N 3.14Å |
| 121 | Q | 77.7 | Confident | 73.7 | Confident | 107 Ų | 107 | 101.4 Ų | 101.4 | 50% | 0.5 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.1 | -38.5 | 175.7 | -75.8 | -176.2 | -14 | 0 | 0 | 112.9 | Q117 L118 S123 C124 N125 | Q117-Q121 WeakPolarHBondContact O-CG 3.36Å; Q117-Q121 PolarHBondContact O-N 3.05Å; L118-Q121 PolarHBondContact O-N 2.77Å; Q121-S123 VanDerWaalsContact C-N 3.33Å; Q121-C124 PolarHBondContact O-SG 2.81Å; Q121-N125 PolarHBondContact O-N 2.95Å |
| 122 | N | 76.8 | Confident | 71.8 | Confident | 100 Ų | 100 | 102.2 Ų | 102.2 | 54% | 0.535 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70.7 | -32.6 | 176.4 | -69.6 | -20.8 | 0 | 0 | 0 | 111.8 | L118 H119 N125 I126 | L118-N122 VanDerWaalsContact O-CG 3.28Å; L118-N122 PolarHBondContact O-N 3.43Å; L118-N122 PolarHBondContact O-ND2 3.42Å; H119-N122 PolarHBondContact O-N 3.14Å; N122-N125 PolarHBondContact O-N 3.44Å; N122-I126 WeakPolarHBondContact O-CG1 3.37Å; N122-I126 PolarHBondContact O-N 3.47Å |
| 123 | S | 69.7 | Low | 69.4 | Low | 51 Ų | 51 | 103.1 Ų | 103.1 | 36% | 0.357 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -69.2 | -38.7 | 178.4 | -57 | 0 | 0 | 0 | 0 | 112.5 | H119 L120 Q121 N125 | H119-S123 WeakPolarHBondContact O-CB 3.4Å; H119-S123 PolarHBondContact O-N 3.33Å; H119-S123 PolarHBondContact O-OG 2.89Å; L120-S123 PolarHBondContact O-N 3.45Å; Q121-S123 VanDerWaalsContact C-N 3.33Å; S123-N125 VanDerWaalsContact C-N 3.35Å |
| 124 | C | 59.6 | Low | 67 | Low | 83 Ų | 83 | 111.6 Ų | 111.6 | 56% | 0.561 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -73.4 | -26.8 | 176.8 | 66.7 | 0 | 0 | 0 | 0 | 112.9 | L120 Q121 S128 | L120-C124 PolarHBondContact O-N 3.07Å; L120-C124 VanDerWaalsContact O-N 3.14Å; Q121-C124 PolarHBondContact O-SG 2.81Å; C124-S128 PolarHBondContact O-N 3.35Å |
| 125 | N | 60.2 | Low | 64.8 | Low | 107 Ų | 107 | 116.7 Ų | 116.7 | 57% | 0.572 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -74.5 | -31.7 | 176.9 | -130.8 | -15.6 | 0 | 0 | 0 | 112.7 | Q121 N122 S123 | Q121-N125 PolarHBondContact O-N 2.95Å; N122-N125 PolarHBondContact O-N 3.44Å; S123-N125 VanDerWaalsContact C-N 3.35Å |
| 126 | I | 56.9 | Low | 62.4 | Low | 122 Ų | 122 | 117.8 Ų | 117.8 | 63% | 0.626 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -72.2 | -36.6 | 178.5 | -64.3 | 167.4 | 0 | 0 | 0 | 111.6 | N122 S128 T129 | N122-I126 WeakPolarHBondContact O-CG1 3.37Å; N122-I126 PolarHBondContact O-N 3.47Å; I126-S128 VanDerWaalsContact C-N 3.32Å; I126-S128 PolarHBondContact O-N 3.39Å; I126-T129 PolarHBondContact O-N 3.45Å; I126-T129 PolarHBondContact O-OG1 3.38Å |
| 127 | Q | 51.4 | Low | 60.3 | Low | 152 Ų | 152 | 122 Ų | 122 | 71% | 0.71 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -72.5 | -22.4 | 177.5 | -75.8 | -175.7 | 1.6 | 0 | 0 | 114 | T129 C130 | Q127-T129 VanDerWaalsContact C-N 3.29Å; Q127-T129 PolarHBondContact O-N 3.49Å; Q127-C130 PolarHBondContact O-SG 3.21Å; Q127-C130 VanDerWaalsContact O-SG 3.38Å |
| 128 | S | 52.2 | Low | 58.2 | Low | 89 Ų | 89 | 122.2 Ų | 122.2 | 62% | 0.622 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -68.6 | -27.1 | 175.8 | 172.9 | 0 | 0 | 0 | 0 | 112.9 | C124 I126 | C124-S128 PolarHBondContact O-N 3.35Å; I126-S128 VanDerWaalsContact C-N 3.32Å; I126-S128 PolarHBondContact O-N 3.39Å |
| 129 | T | 51.7 | Low | 56.1 | Low | 110 Ų | 110 | 127.3 Ų | 127.3 | 68% | 0.675 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -2.8 | -169.6 | 61.1 | 0 | 0 | 0 | 0 | 115.4 | I126 Q127 | I126-T129 PolarHBondContact O-N 3.45Å; I126-T129 PolarHBondContact O-OG1 3.38Å; Q127-T129 VanDerWaalsContact C-N 3.29Å; Q127-T129 PolarHBondContact O-N 3.49Å |
| 130 | C | 50.5 | Low | 54.5 | Low | 90 Ų | 90 | 131.5 Ų | 131.5 | 61% | 0.608 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -101.2 | 8.5 | -173.3 | 53.6 | 0 | 0 | 0 | 0 | 116.5 | Q127 | Q127-C130 PolarHBondContact O-SG 3.21Å; Q127-C130 VanDerWaalsContact O-SG 3.38Å |
| 131 | N | 49.6 | Very low | 52.7 | Low | 146 Ų | 146 | 133.3 Ų | 133.3 | 78% | 0.781 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -106.8 | 17.6 | -176.7 | -75.6 | -23.2 | 0 | 0 | 0 | 116.3 | ||
| 132 | V | 51.3 | Low | 50.9 | Low | 135 Ų | 135 | 134.7 Ų | 134.7 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -127.8 | 121.9 | 179.1 | -175.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 133 | S | 42.1 | Very low | 49.5 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | trans | 85.3 | 103.6 | 162.1 | -160.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 134 | R | 40.7 | Very low | 48.4 | Very low | 246 Ų | 246 | 145.2 Ų | 145.2 | 93% | 0.928 | 76% | 0.764 | S | S | * | * | trans | -162.4 | 86.6 | 131.1 | -101.5 | 168.4 | -141.7 | -142.7 | 7.5 | 109.8 | ||||
| 135 | H | 45.5 | Very low | 47.7 | Very low | 169 Ų | 169 | 146 Ų | 146 | 78% | 0.782 | 77% | 0.771 | S | S | * | * | trans | -85.6 | 135.1 | 160.4 | -159 | -64.5 | 0 | 0 | 0 | 107.8 | ||||
| 136 | P | 42.3 | Very low | 46.8 | Very low | 116 Ų | 116 | 146.2 Ų | 146.2 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | -80.8 | 132.5 | -177.8 | 30.9 | -31.3 | 0 | 0 | 0 | 110.5 | ||||
| 137 | Q | 45.4 | Very low | 46.7 | Very low | 178 Ų | 178 | 146 Ų | 146 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -109.4 | 130.9 | 173.2 | -80.3 | -89 | -14.5 | 0 | 0 | 109.6 | ||||
| 138 | T | 43.6 | Very low | 46.2 | Very low | 126 Ų | 126 | 150.5 Ų | 150.5 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -74.5 | 131.4 | 174.8 | 47.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 139 | K | 44 | Very low | 45.9 | Very low | 195 Ų | 195 | 150.9 Ų | 150.9 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | 21.6 | 118.3 | 148.4 | -60 | -178.5 | 180 | 179.3 | 0 | 117.8 | ||||
| 140 | K | 50.5 | Low | 45.7 | Very low | 212 Ų | 212 | 153.8 Ų | 153.8 | 92% | 0.922 | 82% | 0.817 | S | S | * | * | trans | -168 | 135.9 | 131.6 | -99.3 | 155.3 | -167.6 | -174.3 | 0 | 110.7 | ||||
| 141 | N | 44.7 | Very low | 46.5 | Very low | 160 Ų | 160 | 155 Ų | 155 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | trans | -64.9 | 147.3 | -177.3 | -56.8 | -29 | 0 | 0 | 0 | 111.9 | ||||
| 142 | C | 41.1 | Very low | 46.8 | Very low | 136 Ų | 136 | 154 Ų | 154 | 92% | 0.919 | 83% | 0.825 | S | S | * | * | trans | -172.8 | 132.6 | 132.2 | -105.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 143 | V | 47.5 | Very low | 46.3 | Very low | 143 Ų | 143 | 159.5 Ų | 159.5 | 87% | 0.867 | 83% | 0.832 | S | S | * | * | trans | -82.6 | 131 | 177.6 | 173.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 144 | R | 45.1 | Very low | 46.8 | Very low | 229 Ų | 229 | 158.1 Ų | 158.1 | 86% | 0.864 | 83% | 0.834 | S | S | * | * | trans | -177.8 | 115.3 | 141.5 | -113.9 | -176.5 | 173.5 | -148.7 | -2.3 | 113.7 | ||||
| 145 | S | 45.1 | Very low | 47 | Very low | 99 Ų | 99 | 150.9 Ų | 150.9 | 69% | 0.692 | 83% | 0.827 | S | S | * | * | trans | 41.5 | 123 | 132.6 | 54.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 146 | S | 42.7 | Very low | 46.9 | Very low | 113 Ų | 113 | 154.2 Ų | 154.2 | 79% | 0.79 | 83% | 0.832 | S | S | * | * | trans | -45.2 | 179.6 | 151.6 | -47.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 147 | P | 54.7 | Low | 47.3 | Very low | 118 Ų | 118 | 155 Ų | 155 | 77% | 0.766 | 83% | 0.834 | S | S | * | * | cis | -145.7 | 173.7 | 9.1 | 37.6 | -14.8 | 0 | 0 | 0 | 118.2 | ||||
| 148 | R | 41.2 | Very low | 47.1 | Very low | 245 Ų | 245 | 152.3 Ų | 152.3 | 93% | 0.925 | 83% | 0.826 | S | S | * | * | trans | 53.1 | 115.6 | 141.3 | -166.6 | -179.6 | -82.1 | -130.4 | 0.9 | 120.5 | ||||
| 149 | A | 44.8 | Very low | 47.3 | Very low | 98 Ų | 98 | 154 Ų | 154 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | trans | -156.8 | 131.3 | 150.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 150 | L | 48.6 | Very low | 47.6 | Very low | 170 Ų | 170 | 152.1 Ų | 152.1 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | trans | -97.2 | 153.6 | 159.9 | -76.5 | 165.5 | 0 | 0 | 0 | 108.2 | ||||
| 151 | P | 65.7 | Low | 47.3 | Very low | 116 Ų | 116 | 153.8 Ų | 153.8 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | trans | -144.9 | -173.9 | 142.2 | 44.4 | -28.4 | 0 | 0 | 0 | 112.2 | ||||
| 152 | P | 56.6 | Low | 47 | Very low | 125 Ų | 125 | 149.3 Ų | 149.3 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | -129.6 | -179 | -88.5 | 33.8 | -12.2 | 0 | 0 | 0 | 114.1 | |||||
| 153 | R | 41.2 | Very low | 47.3 | Very low | 251 Ų | 251 | 151.6 Ų | 151.6 | 95% | 0.947 | 82% | 0.817 | S | S | * | * | trans | -72.9 | 143.9 | 171.4 | -77.5 | 175.1 | 166.4 | -124.2 | -0.2 | 113 | ||||
| 154 | G | 52 | Low | 47.1 | Very low | 76 Ų | 76 | 149.9 Ų | 149.9 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | trans | -142.6 | 131.2 | 149.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 155 | A | 46 | Very low | 47 | Very low | 94 Ų | 94 | 142.2 Ų | 142.2 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | cis | 106.6 | 104.6 | 41.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 156 | R | 42.3 | Very low | 47.2 | Very low | 239 Ų | 239 | 146.9 Ų | 146.9 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | trans | 63.3 | 143.1 | 152.4 | -57.3 | -179.5 | 167.2 | -178.3 | -5.3 | 116.3 | ||||
| 157 | V | 50.3 | Low | 47.1 | Very low | 131 Ų | 131 | 146 Ų | 146 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | -164.6 | 123.1 | 53.8 | 173.3 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 158 | D | 41.7 | Very low | 46.7 | Very low | 123 Ų | 123 | 148.1 Ų | 148.1 | 66% | 0.658 | 82% | 0.82 | S | S | * | * | trans | 16.9 | 132.6 | 130 | -80.9 | -43.8 | 0 | 0 | 0 | 126.2 | ||||
| 159 | H | 47.5 | Very low | 46.7 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | trans | 111.8 | 144 | 130.9 | -61.3 | -12.3 | 0 | 0 | 0 | 122.3 | ||||
| 160 | I | 49.6 | Very low | 46.6 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | trans | 88.5 | 93.5 | 158.1 | -40.1 | -168.7 | 0 | 0 | 0 | 115.7 | ||||
| 161 | R | 44.2 | Very low | 46.3 | Very low | 246 Ų | 246 | 141 Ų | 141 | 93% | 0.928 | 81% | 0.805 | S | S | * | * | 69.6 | 112.6 | 77.9 | -172.1 | 179.5 | -63.8 | -137.3 | -0.2 | 114.1 | |||||
| 162 | G | 40.3 | Very low | 45.2 | Very low | 67 Ų | 67 | 142.2 Ų | 142.2 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | trans | 163.6 | 115.7 | 159.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 163 | L | 47.1 | Very low | 44.8 | Very low | 183 Ų | 183 | 142 Ų | 142 | 96% | 0.958 | 80% | 0.803 | S | S | * | * | trans | 90.9 | 110.1 | 154.6 | -53.3 | 177.9 | 0 | 0 | 0 | 119.2 | ||||
| 164 | A | 42.4 | Very low | 45 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 88% | 0.884 | 79% | 0.79 | S | S | * | * | trans | -74.9 | 156 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 165 | G | 43.5 | Very low | 44.4 | Very low | 69 Ų | 69 | 140.6 Ų | 140.6 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | 164.4 | 86.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 166 | Q | 49.2 | Very low | 44 | Very low | 197 Ų | 197 | 142.2 Ų | 142.2 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | 74.4 | 116 | 149.2 | -52.8 | -166.4 | 47.2 | 0 | 0 | 119.8 | ||||
| 167 | S | 40.8 | Very low | 43.9 | Very low | 95 Ų | 95 | 139.1 Ų | 139.1 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | trans | -48.1 | 137.2 | 162.9 | 47.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 168 | N | 45 | Very low | 43.6 | Very low | 161 Ų | 161 | 139.4 Ų | 139.4 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | -162.7 | 112.2 | 114.6 | -92.7 | -34.7 | 0 | 0 | 0 | 109.1 | |||||
| 169 | V | 41.5 | Very low | 43.6 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | trans | -82.5 | 117.4 | -176.5 | 177.8 | 0 | 0 | 0 | 0 | 108.5 | V171 | V169-V171 HydrophobicContact CG1-CG2 4.36Å; V169-V171 PolarHBondContact O-N 3.3Å | ||
| 170 | S | 43.8 | Very low | 43.1 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -69.6 | 108.1 | 164.3 | 57 | 0 | 0 | 0 | 0 | 109.3 | L172 | S170-L172 PolarHBondContact O-N 3.14Š| ||
| 171 | V | 41.9 | Very low | 42.7 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | trans | -83.8 | 109 | 172.3 | 177.4 | 0 | 0 | 0 | 0 | 108.9 | V169 | V169-V171 HydrophobicContact CG1-CG2 4.36Å; V169-V171 PolarHBondContact O-N 3.3Å | ||
| 172 | L | 41.4 | Very low | 42.5 | Very low | 142 Ų | 142 | 129.8 Ų | 129.8 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | trans | -78.1 | 139 | 154 | -129.7 | 85.7 | 0 | 0 | 0 | 107.8 | S170 K174 | S170-L172 PolarHBondContact O-N 3.14Å; L172-K174 HydrophobicContact CD2-CG 4.31Å | ||
| 173 | P | 50.1 | Low | 42.8 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | -108.4 | 116.3 | 152.5 | 25.8 | -11.7 | 0 | 0 | 0 | 109.9 | ||||
| 174 | K | 45.1 | Very low | 42.4 | Very low | 159 Ų | 159 | 130.8 Ų | 130.8 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | -82.1 | 159.7 | 154.6 | -61 | 176.2 | 173 | 173.1 | 0 | 108.6 | L172 | L172-K174 HydrophobicContact CD2-CG 4.31Š| ||
| 175 | N | 37.6 | Very low | 42.5 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | trans | 85.9 | 119.5 | 155.9 | -42.9 | -32.6 | 0 | 0 | 0 | 116.4 | ||||
| 176 | T | 38.7 | Very low | 42.3 | Very low | 128 Ų | 128 | 138 Ų | 138 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | -164 | 114.7 | 104.7 | 4.8 | 0 | 0 | 0 | 0 | 111.1 | I178 | T176-I178 HydrophobicContact CG2-CD1 3.93Å; T176-I178 HydrophobicContact CG2-CG1 4.1Å | |||
| 177 | L | 40 | Very low | 41.9 | Very low | 173 Ų | 173 | 134 Ų | 134 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | trans | -101.9 | 113.3 | 159.7 | -164.8 | 91.4 | 0 | 0 | 0 | 104.8 | ||||
| 178 | I | 44.2 | Very low | 42.1 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | trans | -143.1 | 97.1 | 169.9 | -60.3 | -177.8 | 0 | 0 | 0 | 105.3 | T176 | T176-I178 HydrophobicContact CG2-CD1 3.93Å; T176-I178 HydrophobicContact CG2-CG1 4.1Å | ||
| 179 | T | 41.6 | Very low | 41.9 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 80% | 0.798 | 80% | 0.804 | S | S | * | * | 74 | 117.9 | 91.5 | -45.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 180 | G | 36.2 | Very low | 42 | Very low | 79 Ų | 79 | 144.7 Ų | 144.7 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | trans | 97.3 | 108.4 | 136.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 181 | G | 42 | Very low | 42 | Very low | 79 Ų | 79 | 144.8 Ų | 144.8 | 81% | 0.814 | 81% | 0.807 | S | S | * | * | trans | -179.7 | 65.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 182 | E | 40.2 | Very low | 42 | Very low | 196 Ų | 196 | 147 Ų | 147 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | -72.1 | 122.3 | 170.8 | -65.6 | -171 | 143.5 | 0 | 0 | 110.4 | ||||
| 183 | I | 45.6 | Very low | 42.6 | Very low | 168 Ų | 168 | 146.3 Ų | 146.3 | 86% | 0.862 | 82% | 0.818 | S | S | * | * | trans | -137.6 | 108.8 | 151.8 | -52.6 | 178 | 0 | 0 | 0 | 108.1 | ||||
| 184 | S | 40.6 | Very low | 42.2 | Very low | 103 Ų | 103 | 147 Ų | 147 | 72% | 0.72 | 82% | 0.819 | S | S | * | * | trans | -64.2 | 138.7 | 172.1 | -173.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 185 | R | 43.4 | Very low | 42.2 | Very low | 249 Ų | 249 | 146.6 Ų | 146.6 | 94% | 0.94 | 82% | 0.824 | S | S | * | * | trans | 165.5 | 135.4 | 135.4 | -89.7 | 163.9 | -165.2 | -163.5 | 6.4 | 111.7 | ||||
| 186 | G | 38.9 | Very low | 42.8 | Very low | 77 Ų | 77 | 148.9 Ų | 148.9 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | trans | 120.3 | 66.2 | 150.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 187 | S | 42 | Very low | 42.7 | Very low | 115 Ų | 115 | 148.5 Ų | 148.5 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -56.6 | 127.7 | 159.5 | 47.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 188 | Q | 43.8 | Very low | 43 | Very low | 185 Ų | 185 | 152.1 Ų | 152.1 | 86% | 0.864 | 83% | 0.829 | S | S | * | * | trans | -157.4 | 117.6 | 137.7 | -78.1 | -136.2 | 26.4 | 0 | 0 | 110 | ||||
| 189 | Q | 41.5 | Very low | 42.7 | Very low | 191 Ų | 191 | 154.7 Ų | 154.7 | 89% | 0.893 | 84% | 0.837 | S | S | * | * | trans | -78.3 | 141.9 | 170.4 | -68.4 | 171.3 | -15.1 | 0 | 0 | 109.8 | ||||
| 190 | R | 44.2 | Very low | 42.8 | Very low | 229 Ų | 229 | 154.1 Ų | 154.1 | 86% | 0.864 | 84% | 0.839 | S | S | * | * | trans | -151.9 | 138.7 | 147.1 | -157.2 | 175.4 | -77.2 | -152.4 | 0.5 | 111.4 | ||||
| 191 | P | 42.8 | Very low | 42.7 | Very low | 118 Ų | 118 | 156.3 Ų | 156.3 | 77% | 0.766 | 84% | 0.837 | S | S | * | * | trans | -95 | 161.6 | -166.5 | 4 | 18.3 | 0 | 0 | 0 | 113.8 | ||||
| 192 | L | 42.7 | Very low | 42.8 | Very low | 170 Ų | 170 | 159 Ų | 159 | 89% | 0.89 | 84% | 0.837 | S | S | * | * | trans | -64.5 | 146.8 | 173.1 | -61.6 | 168.7 | 0 | 0 | 0 | 112.7 | ||||
| 193 | P | 54.3 | Low | 43 | Very low | 126 Ų | 126 | 157.3 Ų | 157.3 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -104.4 | 137.1 | 163.8 | 34.6 | -24.7 | 0 | 0 | 0 | 112.7 | ||||
| 194 | V | 41.5 | Very low | 42.9 | Very low | 134 Ų | 134 | 155.2 Ų | 155.2 | 81% | 0.812 | 82% | 0.824 | S | S | * | * | trans | -104.8 | 121.3 | 167.5 | 169.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 195 | L | 44.3 | Very low | 43.2 | Very low | 151 Ų | 151 | 156.4 Ų | 156.4 | 79% | 0.791 | 83% | 0.829 | S | S | * | * | trans | -156.5 | 105.8 | 159.9 | -73.6 | -177.2 | 0 | 0 | 0 | 109.5 | ||||
| 196 | K | 49.6 | Very low | 43.3 | Very low | 187 Ų | 187 | 149.3 Ų | 149.3 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | 79.6 | 130.1 | 98.6 | -76.3 | -173.4 | -176.4 | 176.6 | 0 | 116 | |||||
| 197 | P | 37.8 | Very low | 43.6 | Very low | 121 Ų | 121 | 149.3 Ų | 149.3 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | trans | -88.4 | 147.2 | 178.6 | 35.6 | -31.3 | 0 | 0 | 0 | 111.7 | ||||
| 198 | R | 46.4 | Very low | 44 | Very low | 248 Ų | 248 | 151.5 Ų | 151.5 | 94% | 0.936 | 83% | 0.826 | S | S | * | * | trans | -136.7 | 129.7 | 166.7 | -78.1 | -167.7 | 171.4 | -167.5 | -2 | 111.1 | ||||
| 199 | H | 37.4 | Very low | 44 | Very low | 192 Ų | 192 | 150.3 Ų | 150.3 | 89% | 0.889 | 83% | 0.826 | S | S | * | * | trans | -71.9 | 143.5 | 168.9 | -71.5 | -100.1 | 0 | 0 | 0 | 110.9 | ||||
| 200 | S | 43 | Very low | 44.3 | Very low | 118 Ų | 118 | 144.7 Ų | 144.7 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | -157.7 | 119.5 | 149 | 59.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 201 | T | 35.4 | Very low | 44.4 | Very low | 126 Ų | 126 | 143.5 Ų | 143.5 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | -69.2 | 134.1 | 169.2 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 202 | V | 44.3 | Very low | 44.8 | Very low | 134 Ų | 134 | 149.1 Ų | 149.1 | 81% | 0.812 | 83% | 0.826 | S | S | * | * | trans | -153.7 | 113.2 | 149 | -178.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 203 | E | 43.4 | Very low | 44.8 | Very low | 162 Ų | 162 | 148.4 Ų | 148.4 | 76% | 0.757 | 82% | 0.823 | S | S | * | * | trans | 30.7 | 137.5 | 139.5 | -54.7 | -60.5 | 124.1 | 0 | 0 | 123.5 | ||||
| 204 | V | 43.1 | Very low | 44.5 | Very low | 124 Ų | 124 | 147.8 Ų | 147.8 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | trans | -79.9 | 157 | 177.5 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 205 | P | 47.9 | Very low | 44.7 | Very low | 127 Ų | 127 | 146.3 Ų | 146.3 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | -133.1 | 153.3 | 125.2 | 33.9 | -21.2 | 0 | 0 | 0 | 113.7 | |||||
| 206 | A | 44.4 | Very low | 44.7 | Very low | 100 Ų | 100 | 147.5 Ų | 147.5 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | trans | -77.2 | 158.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 207 | G | 45 | Very low | 44.3 | Very low | 77 Ų | 77 | 147.6 Ų | 147.6 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | trans | 106.9 | 105.9 | 154.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 208 | D | 52 | Low | 44.5 | Very low | 161 Ų | 161 | 146.6 Ų | 146.6 | 86% | 0.861 | 82% | 0.82 | S | S | * | * | 174.4 | 142.3 | 98.1 | -162.9 | 12.5 | 0 | 0 | 0 | 110.6 | |||||
| 209 | D | 43.1 | Very low | 44.6 | Very low | 160 Ų | 160 | 141.3 Ų | 141.3 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | -79.6 | 125.7 | -167 | -70.9 | -56.5 | 0 | 0 | 0 | 112.5 | ||||
| 210 | G | 47.8 | Very low | 44.9 | Very low | 73 Ų | 73 | 138 Ų | 138 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | -138.1 | 78.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R212 | G210-R212 PolarHBondContact O-N 3.32Š| ||
| 211 | K | 46.5 | Very low | 44.8 | Very low | 205 Ų | 205 | 141.2 Ų | 141.2 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | trans | -35.9 | 127.9 | 168.2 | -82.7 | 169.8 | 174.4 | 170 | 0 | 113 | ||||
| 212 | R | 51.1 | Low | 45.3 | Very low | 235 Ų | 235 | 144.7 Ų | 144.7 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | -155.2 | 91.5 | 154.8 | -119.6 | 177.4 | -94.3 | 173.7 | -7 | 112.2 | G210 | G210-R212 PolarHBondContact O-N 3.32Š| ||
| 213 | D | 42.6 | Very low | 45.2 | Very low | 155 Ų | 155 | 148 Ų | 148 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | trans | 44.1 | 86.7 | 134.3 | -52.3 | -23 | 0 | 0 | 0 | 119.5 | ||||
| 214 | S | 48.4 | Very low | 45.1 | Very low | 113 Ų | 113 | 145.8 Ų | 145.8 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | trans | -101.2 | 97.9 | 150.8 | 62.8 | 0 | 0 | 0 | 0 | 109.4 | F216 | S214-F216 PolarHBondContact O-N 3.01Š| ||
| 215 | A | 44.5 | Very low | 44.9 | Very low | 103 Ų | 103 | 147.7 Ų | 147.7 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -70.1 | 91.2 | 170 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 216 | F | 44.6 | Very low | 44.4 | Very low | 177 Ų | 177 | 150.5 Ų | 150.5 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | trans | -88.6 | 109.6 | 167.3 | -160.5 | -95.4 | 0 | 0 | 0 | 108.1 | S214 S218 | S214-F216 PolarHBondContact O-N 3.01Å; F216-S218 PolarHBondContact O-N 2.92Å | ||
| 217 | F | 42 | Very low | 44.2 | Very low | 188 Ų | 188 | 155.3 Ų | 155.3 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | -69.5 | 92.2 | 177.1 | -125.4 | -91.3 | 0 | 0 | 0 | 109.3 | L219 | F217-L219 HydrophobicContact CD1-CD1 4.12Å; F217-L219 PolarHBondContact O-N 3.41Å | ||
| 218 | S | 42.5 | Very low | 43.8 | Very low | 101 Ų | 101 | 161 Ų | 161 | 71% | 0.706 | 82% | 0.821 | S | S | * | * | trans | -79.4 | 108.2 | 167.1 | -70.6 | 0 | 0 | 0 | 0 | 109 | F216 | F216-S218 PolarHBondContact O-N 2.92Š| ||
| 219 | L | 46.9 | Very low | 43.3 | Very low | 137 Ų | 137 | 159.8 Ų | 159.8 | 72% | 0.717 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 147.9 | 171 | -91.5 | 80.3 | 0 | 0 | 0 | 110.9 | F217 | F217-L219 HydrophobicContact CD1-CD1 4.12Å; F217-L219 PolarHBondContact O-N 3.41Å |
| 220 | P | 44.2 | Very low | 43.2 | Very low | 121 Ų | 121 | 156.5 Ų | 156.5 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 130.6 | -172.8 | -10.6 | 26.9 | 0 | 0 | 0 | 112 | Y222 | P220-Y222 PolarHBondContact O-N 3.32Š|
| 221 | H | 41.4 | Very low | 42.6 | Very low | 187 Ų | 187 | 161 Ų | 161 | 87% | 0.866 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 116.3 | 166.3 | -101.3 | -87.3 | 0 | 0 | 0 | 109.8 | ||
| 222 | Y | 46.6 | Very low | 42.4 | Very low | 199 Ų | 199 | 156.9 Ų | 156.9 | 78% | 0.78 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 128 | 164 | 56 | -86.4 | 0 | 0 | 0 | 108.9 | P220 | P220-Y222 PolarHBondContact O-N 3.32Š|
| 223 | K | 40.5 | Very low | 41.8 | Very low | 203 Ų | 203 | 151 Ų | 151 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 126 | 175.1 | -64.5 | -178.2 | 177.4 | -179.2 | 0 | 108.9 | ||
| 224 | T | 42.2 | Very low | 41.8 | Very low | 116 Ų | 116 | 153.6 Ų | 153.6 | 71% | 0.712 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 119.9 | 163.4 | 35.9 | 0 | 0 | 0 | 0 | 108.9 | E226 | T224-E226 PolarHBondContact O-N 3.02Š|
| 225 | N | 38.5 | Very low | 41.2 | Very low | 164 Ų | 164 | 152.8 Ų | 152.8 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 118.7 | 168.1 | -93.3 | -14.8 | 0 | 0 | 0 | 109.5 | ||
| 226 | E | 37.9 | Very low | 41.2 | Very low | 186 Ų | 186 | 156.6 Ų | 156.6 | 87% | 0.869 | 82% | 0.822 | S | S | * | * | trans | -81.8 | 115 | 166.4 | -66.2 | -174.4 | 157.5 | 0 | 0 | 108.6 | T224 | T224-E226 PolarHBondContact O-N 3.02Š| ||
| 227 | F | 40.8 | Very low | 41 | Very low | 201 Ų | 201 | 154.7 Ų | 154.7 | 88% | 0.882 | 82% | 0.82 | S | S | * | * | trans | -83 | 112 | 168.9 | -140.9 | -95.6 | 0 | 0 | 0 | 107.9 | ||||
| 228 | K | 36.3 | Very low | 41.2 | Very low | 195 Ų | 195 | 153 Ų | 153 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | trans | -67 | 129 | 171 | -79.1 | 176.9 | 172.3 | -178.9 | 0 | 109.7 | ||||
| 229 | V | 40.1 | Very low | 41 | Very low | 137 Ų | 137 | 151.5 Ų | 151.5 | 83% | 0.83 | 82% | 0.819 | S | S | * | * | trans | -130.6 | 117.5 | 149.8 | -178.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 230 | A | 42.6 | Very low | 40.8 | Very low | 90 Ų | 90 | 152.6 Ų | 152.6 | 74% | 0.744 | 82% | 0.82 | S | S | * | * | trans | -85.7 | 138.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 231 | D | 34.8 | Very low | 40.9 | Very low | 168 Ų | 168 | 153.8 Ų | 153.8 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | trans | -61.1 | 130.4 | 165.4 | -96.9 | -37 | 0 | 0 | 0 | 110.6 | ||||
| 232 | S | 42.7 | Very low | 40.6 | Very low | 118 Ų | 118 | 152 Ų | 152 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -130.9 | 88.5 | 165.7 | 60.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 233 | S | 38.3 | Very low | 40.2 | Very low | 112 Ų | 112 | 145.9 Ų | 145.9 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | -83.5 | 108 | 164.2 | 46.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 234 | K | 42.8 | Very low | 40.4 | Very low | 209 Ų | 209 | 146.2 Ų | 146.2 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | trans | -149.7 | 122.6 | 152.2 | -75.1 | -162.4 | -179.7 | 171.9 | 0 | 110.6 | ||||
| 235 | A | 35.4 | Very low | 40.3 | Very low | 96 Ų | 96 | 147.5 Ų | 147.5 | 79% | 0.793 | 80% | 0.801 | S | S | * | * | trans | -58.7 | 144.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 236 | L | 45.2 | Very low | 40.8 | Very low | 183 Ų | 183 | 149.4 Ų | 149.4 | 96% | 0.958 | 80% | 0.801 | S | S | * | * | trans | -155.5 | 156.8 | 139.2 | -83.1 | -169.9 | 0 | 0 | 0 | 109.4 | ||||
| 237 | D | 38.8 | Very low | 41 | Very low | 137 Ų | 137 | 145.3 Ų | 145.3 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | trans | -100.8 | 173.8 | -145.9 | -175.2 | 21.5 | 0 | 0 | 0 | 112.9 | ||||
| 238 | L | 47.1 | Very low | 41.1 | Very low | 154 Ų | 154 | 143 Ų | 143 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | 91.4 | 113.8 | 158 | -55.3 | 166.2 | 0 | 0 | 0 | 119.8 | ||||
| 239 | G | 39.2 | Very low | 41.6 | Very low | 68 Ų | 68 | 142.3 Ų | 142.3 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | 127.1 | 97.5 | 124.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 240 | E | 42.8 | Very low | 41.9 | Very low | 160 Ų | 160 | 140.9 Ų | 140.9 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | 24.4 | 146.4 | 131.6 | -66.1 | -173.2 | 125.6 | 0 | 0 | 119.8 | ||||
| 241 | K | 44.6 | Very low | 42.4 | Very low | 146 Ų | 146 | 142.7 Ų | 142.7 | 64% | 0.635 | 79% | 0.785 | S | S | * | * | cis | 179.3 | 145.1 | 2.7 | -109.5 | 170.3 | 178.4 | 161.4 | 0 | 104 | ||||
| 242 | N | 36.5 | Very low | 42.8 | Very low | 150 Ų | 150 | 142.2 Ų | 142.2 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | 59.6 | 154.8 | 145.1 | -55.2 | -10.1 | 0 | 0 | 0 | 118.3 | ||||
| 243 | A | 38.3 | Very low | 42.8 | Very low | 70 Ų | 70 | 144.2 Ų | 144.2 | 58% | 0.579 | 78% | 0.783 | S | S | * | * | cis | -179.6 | 158.4 | -18.2 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 244 | Y | 43.4 | Very low | 43.4 | Very low | 210 Ų | 210 | 145.8 Ų | 145.8 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | 74.5 | 108.9 | 161.3 | -61.2 | -72.5 | 0 | 0 | 0 | 121.4 | ||||
| 245 | D | 41.4 | Very low | 43.5 | Very low | 144 Ų | 144 | 143.6 Ų | 143.6 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | 57.1 | 119.3 | 123.9 | -65.9 | -22.8 | 0 | 0 | 0 | 122.1 | |||||
| 246 | K | 47.9 | Very low | 44.1 | Very low | 204 Ų | 204 | 147.5 Ų | 147.5 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | trans | -155.9 | 126 | 135.7 | -153.1 | 170.2 | -177 | 176.4 | 0 | 111.8 | ||||
| 247 | P | 43.3 | Very low | 44.2 | Very low | 99 Ų | 99 | 143.6 Ų | 143.6 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | trans | -92.3 | 173.9 | 173 | 36.5 | -30.2 | 0 | 0 | 0 | 112.1 | ||||
| 248 | D | 42.5 | Very low | 44.5 | Very low | 154 Ų | 154 | 147.3 Ų | 147.3 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | trans | 102.5 | 95.6 | 166.1 | -54.2 | -29.2 | 0 | 0 | 0 | 118.4 | ||||
| 249 | E | 45.9 | Very low | 44.4 | Very low | 179 Ų | 179 | 143.7 Ų | 143.7 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | trans | 177.4 | 127.1 | 131.9 | -105.7 | -81.5 | 136.6 | 0 | 0 | 110.9 | ||||
| 250 | P | 46.2 | Very low | 44.8 | Very low | 107 Ų | 107 | 143.9 Ų | 143.9 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | trans | -96.8 | 132.2 | -173.9 | 35.5 | -27.6 | 0 | 0 | 0 | 112.5 | ||||
| 251 | P | 53.6 | Low | 45.4 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | trans | -96 | 110 | 160.1 | 29.5 | -19 | 0 | 0 | 0 | 110 | ||||
| 252 | D | 44.1 | Very low | 45.7 | Very low | 159 Ų | 159 | 141.2 Ų | 141.2 | 85% | 0.85 | 75% | 0.751 | S | S | * | * | trans | 24.5 | 108.5 | 151.8 | -105.5 | -21 | 0 | 0 | 0 | 118.9 | D254 | D252-D254 PolarHBondContact O-N 3.39Š| ||
| 253 | L | 40.9 | Very low | 46.7 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -69.6 | 108.7 | 159.5 | -67.3 | 124.9 | 0 | 0 | 0 | 108.8 | ||
| 254 | D | 52 | Low | 47.5 | Very low | 144 Ų | 144 | 142.2 Ų | 142.2 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | -174.9 | -8.9 | 148.9 | -96.6 | -26.4 | 0 | 0 | 0 | 117.1 | D252 H256 | D252-D254 PolarHBondContact O-N 3.39Å; D254-H256 VanDerWaalsContact C-N 3.33Å; D254-H256 PolarHBondContact O-N 2.98Å | ||
| 255 | D | 45.3 | Very low | 48.5 | Very low | 163 Ų | 163 | 138 Ų | 138 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | trans | -87.4 | 18.4 | -173.4 | -83.8 | -18.9 | 0 | 0 | 0 | 116.8 | I257 | D255-I257 VanDerWaalsContact C-N 3.33Å; D255-I257 PolarHBondContact O-N 2.74Å | ||
| 256 | H | 47.2 | Very low | 49.6 | Very low | 179 Ų | 179 | 135.6 Ų | 135.6 | 83% | 0.829 | 75% | 0.751 | S | S | * | * | trans | -86.4 | 52.4 | 172.8 | -85.6 | -6.4 | 0 | 0 | 0 | 113.9 | D254 | D254-H256 VanDerWaalsContact C-N 3.33Å; D254-H256 PolarHBondContact O-N 2.98Å | ||
| 257 | I | 48.3 | Very low | 50.4 | Low | 101 Ų | 101 | 136 Ų | 136 | 52% | 0.518 | 75% | 0.748 | S | S | . | * | trans | -149.4 | 78.1 | 160.4 | -56 | 89 | 0 | 0 | 0 | 110.7 | D255 | D255-I257 VanDerWaalsContact C-N 3.33Å; D255-I257 PolarHBondContact O-N 2.74Å | ||
| 258 | Y | 45.2 | Very low | 52.2 | Low | 215 Ų | 215 | 133.9 Ų | 133.9 | 84% | 0.843 | 73% | 0.733 | S | S | * | * | trans | -118.2 | 76 | 160.8 | -142.1 | -94.9 | 0 | 0 | 0 | 110.1 | S260 | Y258-S260 PolarHBondContact O-N 3.3Š| ||
| 259 | A | 43.9 | Very low | 54.2 | Low | 78 Ų | 78 | 131.2 Ų | 131.2 | 65% | 0.645 | 72% | 0.719 | S | S | * | * | trans | -70.7 | 101.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 260 | S | 48.5 | Very low | 56.1 | Low | 71 Ų | 71 | 130 Ų | 130 | 50% | 0.497 | 72% | 0.717 | S | S | . | * | trans | -89.6 | 137.9 | 164.9 | -66.9 | 0 | 0 | 0 | 0 | 109.5 | Y258 S262 | Y258-S260 PolarHBondContact O-N 3.3Å; S260-S262 PolarHBondContact O-N 2.87Å | ||
| 261 | I | 54.6 | Low | 57.9 | Low | 177 Ų | 177 | 131.8 Ų | 131.8 | 91% | 0.908 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -70.8 | 24 | -167.5 | -40.6 | 168.2 | 0 | 0 | 0 | 112 | ||
| 262 | S | 51.4 | Low | 59.3 | Low | 73 Ų | 73 | 129.7 Ų | 129.7 | 51% | 0.51 | 70% | 0.703 | S | S | . | * | S | Bend | trans | -99.1 | 134.7 | -177.4 | -61.5 | 0 | 0 | 0 | 0 | 107.3 | S260 E264 | S260-S262 PolarHBondContact O-N 2.87Å; S262-E264 PolarHBondContact O-N 3.33Å |
| 263 | G | 56.8 | Low | 61.4 | Low | 93 Ų | 93 | 125.4 Ų | 125.4 | 96% | 0.959 | 68% | 0.68 | S | S | * | * | trans | -66.4 | 50.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 264 | E | 56.1 | Low | 63.5 | Low | 149 Ų | 149 | 124.9 Ų | 124.9 | 70% | 0.696 | 67% | 0.673 | S | S | * | * | trans | -92.4 | 140.9 | 172.7 | -76.9 | 174.1 | 157 | 0 | 0 | 109.4 | S262 V266 | S262-E264 PolarHBondContact O-N 3.33Å; E264-V266 PolarHBondContact O-N 2.96Å; E264-V266 VanDerWaalsContact O-N 3.09Å | ||
| 265 | T | 63.4 | Low | 65.1 | Low | 120 Ų | 120 | 121.6 Ų | 121.6 | 74% | 0.736 | 66% | 0.658 | S | S | * | * | trans | -64.5 | 109.4 | 178.6 | -37.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 266 | V | 64.2 | Low | 67 | Low | 95 Ų | 95 | 115.4 Ų | 115.4 | 58% | 0.576 | 63% | 0.626 | S | S | * | * | trans | -89.1 | 117.7 | 174.5 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | E264 | E264-V266 PolarHBondContact O-N 2.96Å; E264-V266 VanDerWaalsContact O-N 3.09Å | ||
| 267 | Y | 66.1 | Low | 68.8 | Low | 212 Ų | 212 | 110.2 Ų | 110.2 | 83% | 0.831 | 60% | 0.604 | S | S | * | * | trans | -74.2 | 135.8 | 170.6 | -62.7 | -79.7 | 0 | 0 | 0 | 109.3 | ||||
| 268 | T | 81 | Confident | 70.8 | Confident | 54 Ų | 54 | 113 Ų | 113 | 33% | 0.331 | 61% | 0.608 | S | S | . | * | trans | -130 | 147 | 177.4 | -171.8 | 0 | 0 | 0 | 0 | 109.5 | L273 T276 | T268-L273 HydrophobicContact CG2-CD1 3.7Å; T268-T276 HydrophobicContact CG2-CG2 4.39Å; T268-T276 PolarHBondContact OG1-OG1 3.49Å | ||
| 269 | N | 83.2 | Confident | 72.8 | Confident | 99 Ų | 99 | 109.2 Ų | 109.2 | 53% | 0.529 | 59% | 0.592 | S | S | . | * | trans | -75.8 | 153.3 | 176 | -63 | -28.2 | 0 | 0 | 0 | 109.9 | D271 N272 L273 | N269-D271 PolarHBondContact O-N 3.26Å; N269-N272 CarbonylContact O-C 3.55Å; N269-N272 PolarHBondContact O-N 2.97Å; N269-L273 PolarHBondContact O-N 2.94Å | ||
| 270 | L | 87.1 | Confident | 75 | Confident | 152 Ų | 152 | 110.6 Ų | 110.6 | 80% | 0.796 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -56.7 | -38.4 | 178.9 | -153.1 | 80.7 | 0 | 0 | 0 | 111.3 | N272 L273 | L270-N272 VanDerWaalsContact C-N 3.29Å; L270-N272 PolarHBondContact O-N 3.5Å; L270-L273 WeakPolarHBondContact O-CB 3.44Å; L270-L273 PolarHBondContact O-N 3.37Å |
| 271 | D | 84.1 | Confident | 77.1 | Confident | 145 Ų | 145 | 112 Ų | 112 | 78% | 0.775 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -67.8 | -28 | -179.9 | -51.4 | -38.9 | 0 | 0 | 0 | 112.8 | N269 | N269-D271 PolarHBondContact O-N 3.26Š|
| 272 | N | 81.9 | Confident | 78.9 | Confident | 84 Ų | 84 | 108.8 Ų | 108.8 | 45% | 0.449 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | -101.8 | 0.9 | -178.9 | -69.8 | -32.3 | 0 | 0 | 0 | 113.3 | N269 L270 Q274 T275 T276 | N269-N272 CarbonylContact O-C 3.55Å; N269-N272 PolarHBondContact O-N 2.97Å; L270-N272 VanDerWaalsContact C-N 3.29Å; L270-N272 PolarHBondContact O-N 3.5Å; N272-Q274 PolarHBondContact O-N 2.89Å; N272-T275 PolarHBondContact O-N 3.43Å; N272-T276 WeakPolarHBondContact O-CB 3.44Å; N272-T276 PolarHBondContact O-N 3.01Å; N272-T276 PolarHBondContact O-OG1 3.43Å |
| 273 | L | 87.6 | Confident | 80.4 | Confident | 70 Ų | 70 | 108.4 Ų | 108.4 | 37% | 0.366 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.5 | -46.9 | -174.2 | -179.9 | 63 | 0 | 0 | 0 | 111.9 | T268 N269 L270 T275 T276 I277 | T268-L273 HydrophobicContact CG2-CD1 3.7Å; N269-L273 PolarHBondContact O-N 2.94Å; L270-L273 WeakPolarHBondContact O-CB 3.44Å; L270-L273 PolarHBondContact O-N 3.37Å; L273-T275 PolarHBondContact O-N 2.89Å; L273-T276 PolarHBondContact O-N 3.33Å; L273-I277 HydrophobicContact CD1-CD1 3.78Å; L273-I277 HydrophobicContact CD1-CG1 4.11Å; L273-I277 HydrophobicContact CD2-CD1 4.46Å; L273-I277 HydrophobicContact CG-CD1 3.73Å; L273-I277 HydrophobicContact CG-CG1 4.42Å; L273-I277 WeakPolarHBondContact O-CB 3.4Å; L273-I277 VanDerWaalsContact O-CG1 3.22Å; L273-I277 WeakPolarHBondContact O-CG1 3.44Å; L273-I277 PolarHBondContact O-N 3.44Å |
| 274 | Q | 86.7 | Confident | 82 | Confident | 148 Ų | 148 | 109.5 Ų | 109.5 | 69% | 0.692 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.3 | -44.2 | -179.5 | -67.2 | -172.9 | 1.9 | 0 | 0 | 111.8 | N272 I277 R278 | N272-Q274 PolarHBondContact O-N 2.89Å; Q274-I277 PolarHBondContact O-N 3.34Å; Q274-R278 WeakPolarHBondContact O-CB 3.38Å; Q274-R278 PolarHBondContact O-N 3.03Å |
| 275 | T | 85.3 | Confident | 83.6 | Confident | 76 Ų | 76 | 110.4 Ų | 110.4 | 47% | 0.466 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.5 | -41 | 178.1 | -49.2 | 0 | 0 | 0 | 0 | 111.3 | N272 L273 R278 R279 | N272-T275 PolarHBondContact O-N 3.43Å; L273-T275 PolarHBondContact O-N 2.89Å; T275-R278 PolarHBondContact O-N 3.47Å; T275-R279 WeakPolarHBondContact O-CB 3.37Å; T275-R279 PolarHBondContact O-N 3.29Å |
| 276 | T | 85.4 | Confident | 84.9 | Confident | 32 Ų | 32 | 109.5 Ų | 109.5 | 20% | 0.196 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -63.8 | -47.5 | 176.7 | -54.3 | 0 | 0 | 0 | 0 | 111 | T268 N272 L273 R278 R279 Q280 | T268-T276 HydrophobicContact CG2-CG2 4.39Å; T268-T276 PolarHBondContact OG1-OG1 3.49Å; N272-T276 WeakPolarHBondContact O-CB 3.44Å; N272-T276 PolarHBondContact O-N 3.01Å; N272-T276 PolarHBondContact O-OG1 3.43Å; L273-T276 PolarHBondContact O-N 3.33Å; T276-R278 PolarHBondContact O-N 3.06Å; T276-R279 PolarHBondContact O-N 3.42Å; T276-Q280 WeakPolarHBondContact O-CB 3.44Å; T276-Q280 VanDerWaalsContact O-CG 3.27Å; T276-Q280 WeakPolarHBondContact O-CG 3.48Å; T276-Q280 PolarHBondContact O-N 2.86Å |
| 277 | I | 84.8 | Confident | 85.7 | Confident | 71 Ų | 71 | 106.8 Ų | 106.8 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 176.5 | -69.3 | 168.2 | 0 | 0 | 0 | 110.4 | L273 Q274 R279 Q280 Q281 | L273-I277 HydrophobicContact CD1-CD1 3.78Å; L273-I277 HydrophobicContact CD1-CG1 4.11Å; L273-I277 HydrophobicContact CD2-CD1 4.46Å; L273-I277 HydrophobicContact CG-CD1 3.73Å; L273-I277 HydrophobicContact CG-CG1 4.42Å; L273-I277 WeakPolarHBondContact O-CB 3.4Å; L273-I277 VanDerWaalsContact O-CG1 3.22Å; L273-I277 WeakPolarHBondContact O-CG1 3.44Å; L273-I277 PolarHBondContact O-N 3.44Å; Q274-I277 PolarHBondContact O-N 3.34Å; I277-R279 PolarHBondContact O-N 3.49Å; I277-Q280 PolarHBondContact O-N 2.93Å; I277-Q281 HydrophobicContact CG2-CG 4.38Å; I277-Q281 WeakPolarHBondContact O-CB 3.45Å; I277-Q281 VanDerWaalsContact O-CG 3.3Å; I277-Q281 WeakPolarHBondContact O-CG 3.34Å; I277-Q281 PolarHBondContact O-N 3.21Å |
| 278 | R | 89.8 | Confident | 86.6 | Confident | 158 Ų | 158 | 100.6 Ų | 100.6 | 60% | 0.596 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.1 | -46.5 | 179.1 | -174.9 | -174 | -65.9 | 146.9 | 0 | 111.5 | Q274 T275 T276 Q281 Q282 | Q274-R278 WeakPolarHBondContact O-CB 3.38Å; Q274-R278 PolarHBondContact O-N 3.03Å; T275-R278 PolarHBondContact O-N 3.47Å; T276-R278 PolarHBondContact O-N 3.06Å; R278-Q281 PolarHBondContact O-N 2.98Å; R278-Q282 PolarHBondContact O-N 2.88Å |
| 279 | R | 87.2 | Confident | 86.8 | Confident | 136 Ų | 136 | 103 Ų | 103 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 178.8 | -175.2 | -176 | -93.8 | 161 | -11.8 | 111.5 | T275 T276 I277 Q281 Q282 S283 | T275-R279 WeakPolarHBondContact O-CB 3.37Å; T275-R279 PolarHBondContact O-N 3.29Å; T276-R279 PolarHBondContact O-N 3.42Å; I277-R279 PolarHBondContact O-N 3.49Å; R279-Q281 PolarHBondContact O-N 2.79Å; R279-Q282 PolarHBondContact O-N 3.18Å; R279-S283 WeakPolarHBondContact O-CB 3.44Å; R279-S283 PolarHBondContact O-N 3.27Å |
| 280 | Q | 89 | Confident | 86.8 | Confident | 107 Ų | 107 | 104.2 Ų | 104.2 | 50% | 0.5 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 176 | -74.9 | 177.2 | -5.2 | 0 | 0 | 111.7 | T276 I277 S283 L284 | T276-Q280 WeakPolarHBondContact O-CB 3.44Å; T276-Q280 VanDerWaalsContact O-CG 3.27Å; T276-Q280 WeakPolarHBondContact O-CG 3.48Å; T276-Q280 PolarHBondContact O-N 2.86Å; I277-Q280 PolarHBondContact O-N 2.93Å; Q280-S283 PolarHBondContact O-N 3.4Å; Q280-L284 WeakPolarHBondContact O-CB 3.44Å; Q280-L284 PolarHBondContact O-N 3.03Å |
| 281 | Q | 92.7 | Very high | 86.6 | Confident | 100 Ų | 100 | 103.3 Ų | 103.3 | 47% | 0.467 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 174.8 | -72.6 | 175.4 | -8.2 | 0 | 0 | 112.3 | I277 R278 R279 L284 R285 | I277-Q281 HydrophobicContact CG2-CG 4.38Å; I277-Q281 WeakPolarHBondContact O-CB 3.45Å; I277-Q281 VanDerWaalsContact O-CG 3.3Å; I277-Q281 WeakPolarHBondContact O-CG 3.34Å; I277-Q281 PolarHBondContact O-N 3.21Å; R278-Q281 PolarHBondContact O-N 2.98Å; R279-Q281 PolarHBondContact O-N 2.79Å; Q281-L284 PolarHBondContact O-N 3.19Å; Q281-R285 WeakPolarHBondContact O-CG 3.31Å; Q281-R285 PolarHBondContact O-N 3.21Å |
| 282 | Q | 92.7 | Very high | 86.4 | Confident | 111 Ų | 111 | 98.8 Ų | 98.8 | 52% | 0.519 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 176.1 | -174.4 | 178.1 | 1.9 | 0 | 0 | 111.6 | R278 R279 R285 Q286 | R278-Q282 PolarHBondContact O-N 2.88Å; R279-Q282 PolarHBondContact O-N 3.18Å; Q282-R285 PolarHBondContact O-N 3.45Å; Q282-Q286 WeakPolarHBondContact O-CG 3.37Å; Q282-Q286 PolarHBondContact O-N 3.31Å |
| 283 | S | 82.7 | Confident | 86.1 | Confident | 64 Ų | 64 | 99.7 Ų | 99.7 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 176.1 | -178.3 | 0 | 0 | 0 | 0 | 111.9 | R279 Q280 R285 Q286 A287 | R279-S283 WeakPolarHBondContact O-CB 3.44Å; R279-S283 PolarHBondContact O-N 3.27Å; Q280-S283 PolarHBondContact O-N 3.4Å; S283-R285 PolarHBondContact O-N 2.94Å; S283-Q286 PolarHBondContact O-N 3.48Å; S283-A287 WeakPolarHBondContact O-CB 3.36Å; S283-A287 PolarHBondContact O-N 3.43Å |
| 284 | L | 90.9 | Very high | 85.2 | Confident | 116 Ų | 116 | 100.3 Ų | 100.3 | 61% | 0.607 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.5 | -45.6 | 175.2 | -178.9 | 66.7 | 0 | 0 | 0 | 111.8 | Q280 Q281 Q286 A287 V288 | Q280-L284 WeakPolarHBondContact O-CB 3.44Å; Q280-L284 PolarHBondContact O-N 3.03Å; Q281-L284 PolarHBondContact O-N 3.19Å; L284-Q286 VanDerWaalsContact C-N 3.33Å; L284-Q286 PolarHBondContact O-N 2.95Å; L284-A287 PolarHBondContact O-N 3.36Å; L284-V288 WeakPolarHBondContact O-CG2 3.28Å; L284-V288 PolarHBondContact O-N 2.84Å |
| 285 | R | 89.7 | Confident | 83.9 | Confident | 168 Ų | 168 | 98.2 Ų | 98.2 | 63% | 0.634 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59 | -44.5 | 175.8 | -74.4 | 179.6 | -178.6 | 136.8 | 0.1 | 111.6 | Q281 Q282 S283 V288 I289 | Q281-R285 WeakPolarHBondContact O-CG 3.31Å; Q281-R285 PolarHBondContact O-N 3.21Å; Q282-R285 PolarHBondContact O-N 3.45Å; S283-R285 PolarHBondContact O-N 2.94Å; R285-V288 PolarHBondContact O-N 3.36Å; R285-I289 VanDerWaalsContact O-CG1 3.31Å; R285-I289 WeakPolarHBondContact O-CG1 3.39Å; R285-I289 PolarHBondContact O-N 3.37Å |
| 286 | Q | 90.2 | Very high | 82.6 | Confident | 101 Ų | 101 | 102 Ų | 102 | 47% | 0.472 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 176.7 | -72.2 | 176.2 | -5 | 0 | 0 | 112 | Q282 S283 L284 V288 I289 Q290 | Q282-Q286 WeakPolarHBondContact O-CG 3.37Å; Q282-Q286 PolarHBondContact O-N 3.31Å; S283-Q286 PolarHBondContact O-N 3.48Å; L284-Q286 VanDerWaalsContact C-N 3.33Å; L284-Q286 PolarHBondContact O-N 2.95Å; Q286-V288 PolarHBondContact O-N 2.98Å; Q286-I289 PolarHBondContact O-N 2.86Å; Q286-Q290 WeakPolarHBondContact O-CG 3.45Å; Q286-Q290 PolarHBondContact O-N 2.84Å |
| 287 | A | 82.8 | Confident | 80.9 | Confident | 38 Ų | 38 | 106.4 Ų | 106.4 | 31% | 0.314 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S283 L284 Q290 Q291 | S283-A287 WeakPolarHBondContact O-CB 3.36Å; S283-A287 PolarHBondContact O-N 3.43Å; L284-A287 PolarHBondContact O-N 3.36Å; A287-Q290 PolarHBondContact O-N 3.39Å; A287-Q291 WeakPolarHBondContact O-CG 3.41Å; A287-Q291 PolarHBondContact O-N 3.5Å |
| 288 | V | 84.7 | Confident | 79.1 | Confident | 83 Ų | 83 | 110.3 Ų | 110.3 | 50% | 0.503 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 175.4 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | L284 R285 Q286 Q291 A292 | L284-V288 WeakPolarHBondContact O-CG2 3.28Å; L284-V288 PolarHBondContact O-N 2.84Å; R285-V288 PolarHBondContact O-N 3.36Å; Q286-V288 PolarHBondContact O-N 2.98Å; V288-Q291 PolarHBondContact O-N 2.89Å; V288-A292 PolarHBondContact O-N 2.96Å |
| 289 | I | 85.3 | Confident | 76.9 | Confident | 104 Ų | 104 | 106.7 Ų | 106.7 | 53% | 0.533 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.7 | -44 | 176.5 | -68.2 | 165.8 | 0 | 0 | 0 | 110.6 | R285 Q286 Q291 A292 L293 | R285-I289 VanDerWaalsContact O-CG1 3.31Å; R285-I289 WeakPolarHBondContact O-CG1 3.39Å; R285-I289 PolarHBondContact O-N 3.37Å; Q286-I289 PolarHBondContact O-N 2.86Å; I289-Q291 PolarHBondContact O-N 3.29Å; I289-A292 PolarHBondContact O-N 2.92Å; I289-L293 HydrophobicContact CG2-CD1 4.24Å; I289-L293 WeakPolarHBondContact O-CG 3.27Å; I289-L293 PolarHBondContact O-N 3.22Å |
| 290 | Q | 83.2 | Confident | 75 | Confident | 125 Ų | 125 | 109.1 Ų | 109.1 | 58% | 0.584 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.5 | -43.1 | 177 | -72.9 | 176.2 | 7.2 | 0 | 0 | 112.1 | Q286 A287 A292 L293 T294 | Q286-Q290 WeakPolarHBondContact O-CG 3.45Å; Q286-Q290 PolarHBondContact O-N 2.84Å; A287-Q290 PolarHBondContact O-N 3.39Å; Q290-A292 VanDerWaalsContact C-N 3.32Å; Q290-A292 PolarHBondContact O-N 3.44Å; Q290-L293 PolarHBondContact O-N 2.88Å; Q290-T294 WeakPolarHBondContact O-CG2 3.41Å; Q290-T294 PolarHBondContact O-N 3.28Å; Q290-T294 PolarHBondContact O-OG1 2.89Å |
| 291 | Q | 81.5 | Confident | 72.7 | Confident | 132 Ų | 132 | 110.3 Ų | 110.3 | 62% | 0.617 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.3 | -38.6 | 174.6 | -72.9 | 179 | 9.8 | 0 | 0 | 112.2 | A287 V288 I289 L293 T294 V295 | A287-Q291 WeakPolarHBondContact O-CG 3.41Å; A287-Q291 PolarHBondContact O-N 3.5Å; V288-Q291 PolarHBondContact O-N 2.89Å; I289-Q291 PolarHBondContact O-N 3.29Å; Q291-L293 VanDerWaalsContact C-N 3.32Å; Q291-L293 PolarHBondContact O-N 3.39Å; Q291-T294 PolarHBondContact O-N 2.95Å; Q291-T294 PolarHBondContact O-OG1 3.49Å; Q291-T294 VanDerWaalsContact O-OG1 3.07Å; Q291-V295 VanDerWaalsContact O-CG2 3.29Å; Q291-V295 WeakPolarHBondContact O-CG2 3.49Å; Q291-V295 PolarHBondContact O-N 3.43Å; Q291-V295 VanDerWaalsContact O-N 3.14Å |
| 292 | A | 79.4 | Confident | 70.4 | Confident | 51 Ų | 51 | 114.4 Ų | 114.4 | 42% | 0.421 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.4 | -34.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V288 I289 Q290 K296 | V288-A292 PolarHBondContact O-N 2.96Å; I289-A292 PolarHBondContact O-N 2.92Å; Q290-A292 VanDerWaalsContact C-N 3.32Å; Q290-A292 PolarHBondContact O-N 3.44Å; A292-K296 WeakPolarHBondContact O-CG 3.35Å; A292-K296 PolarHBondContact O-N 2.8Å |
| 293 | L | 77.6 | Confident | 67.6 | Low | 102 Ų | 102 | 114.2 Ų | 114.2 | 53% | 0.534 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -71.4 | -42.1 | 175.5 | -68.7 | 174.9 | 0 | 0 | 0 | 112.1 | I289 Q290 Q291 V295 K296 L297 | I289-L293 HydrophobicContact CG2-CD1 4.24Å; I289-L293 WeakPolarHBondContact O-CG 3.27Å; I289-L293 PolarHBondContact O-N 3.22Å; Q290-L293 PolarHBondContact O-N 2.88Å; Q291-L293 VanDerWaalsContact C-N 3.32Å; Q291-L293 PolarHBondContact O-N 3.39Å; L293-V295 PolarHBondContact O-N 2.89Å; L293-K296 PolarHBondContact O-N 3.41Å; L293-L297 WeakPolarHBondContact O-CG 3.39Å; L293-L297 PolarHBondContact O-N 2.87Å |
| 294 | T | 67.9 | Low | 65.5 | Low | 84 Ų | 84 | 116.7 Ų | 116.7 | 52% | 0.515 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -67.8 | -33.8 | 179.5 | 57.1 | 0 | 0 | 0 | 0 | 112.8 | Q290 Q291 K296 L297 H298 | Q290-T294 WeakPolarHBondContact O-CG2 3.41Å; Q290-T294 PolarHBondContact O-N 3.28Å; Q290-T294 PolarHBondContact O-OG1 2.89Å; Q291-T294 PolarHBondContact O-N 2.95Å; Q291-T294 PolarHBondContact O-OG1 3.49Å; Q291-T294 VanDerWaalsContact O-OG1 3.07Å; T294-K296 VanDerWaalsContact C-N 3.35Å; T294-L297 PolarHBondContact O-N 3.47Å; T294-H298 PolarHBondContact O-N 3.17Å |
| 295 | V | 59.6 | Low | 63 | Low | 103 Ų | 103 | 122.8 Ų | 122.8 | 62% | 0.624 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.3 | -32.7 | 174.1 | 175.5 | 0 | 0 | 0 | 0 | 111.8 | Q291 L293 | Q291-V295 VanDerWaalsContact O-CG2 3.29Å; Q291-V295 WeakPolarHBondContact O-CG2 3.49Å; Q291-V295 PolarHBondContact O-N 3.43Å; Q291-V295 VanDerWaalsContact O-N 3.14Å; L293-V295 PolarHBondContact O-N 2.89Å |
| 296 | K | 57.1 | Low | 60.7 | Low | 157 Ų | 157 | 125.5 Ų | 125.5 | 68% | 0.683 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -73.7 | -24.9 | 176.4 | -75.4 | -179.9 | -179 | -177.2 | 0 | 113.7 | A292 L293 T294 | A292-K296 WeakPolarHBondContact O-CG 3.35Å; A292-K296 PolarHBondContact O-N 2.8Å; L293-K296 PolarHBondContact O-N 3.41Å; T294-K296 VanDerWaalsContact C-N 3.35Å |
| 297 | L | 51.2 | Low | 58.4 | Low | 124 Ų | 124 | 124.7 Ų | 124.7 | 65% | 0.649 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -80.5 | -31.4 | 176.8 | -69.9 | 171.6 | 0 | 0 | 0 | 112.4 | L293 T294 A299 | L293-L297 WeakPolarHBondContact O-CG 3.39Å; L293-L297 PolarHBondContact O-N 2.87Å; T294-L297 PolarHBondContact O-N 3.47Å; L297-A299 VanDerWaalsContact C-N 3.32Å; L297-A299 PolarHBondContact O-N 2.91Å |
| 298 | H | 46.5 | Very low | 56.3 | Low | 152 Ų | 152 | 126.4 Ų | 126.4 | 70% | 0.704 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -79 | -10.5 | 177.7 | -110.7 | -73 | 0 | 0 | 0 | 114.9 | T294 | T294-H298 PolarHBondContact O-N 3.17Å |
| 299 | A | 44 | Very low | 54.3 | Low | 83 Ų | 83 | 134.5 Ų | 134.5 | 69% | 0.686 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -2.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L297 | L297-A299 VanDerWaalsContact C-N 3.32Å; L297-A299 PolarHBondContact O-N 2.91Å |
| 300 | K | 45.5 | Very low | 52 | Low | 186 Ų | 186 | 137.9 Ų | 137.9 | 81% | 0.809 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -117.4 | 0.8 | -179.2 | -81.2 | -173.4 | 173.2 | -174.3 | 0 | 115.4 | ||
| 301 | D | 42.7 | Very low | 50.2 | Low | 133 Ų | 133 | 137.6 Ų | 137.6 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | trans | -109.5 | 18.2 | -174.7 | -77.4 | -16.6 | 0 | 0 | 0 | 114.4 | ||||
| 302 | E | 42.6 | Very low | 48.2 | Very low | 185 Ų | 185 | 135.7 Ų | 135.7 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | trans | -102.4 | 56.3 | 170.7 | -64.5 | -161.7 | 172 | 0 | 0 | 111.4 | ||||
| 303 | C | 35.3 | Very low | 46.7 | Very low | 107 Ų | 107 | 142.3 Ų | 142.3 | 72% | 0.723 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -150.7 | 136.9 | 161.5 | -172 | 0 | 0 | 0 | 0 | 106.6 | ||
| 304 | C | 37.2 | Very low | 44.9 | Very low | 116 Ų | 116 | 149.5 Ų | 149.5 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | trans | 86.7 | 75.6 | 179.9 | -35.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 305 | R | 40.1 | Very low | 43.9 | Very low | 245 Ų | 245 | 149.9 Ų | 149.9 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | trans | -146.9 | 77.5 | 146.3 | -72.8 | -157.6 | -171.4 | -172.2 | 4.9 | 112.3 | ||||
| 306 | F | 40.4 | Very low | 42.9 | Very low | 224 Ų | 224 | 150.1 Ų | 150.1 | 98% | 0.982 | 80% | 0.798 | S | S | * | * | trans | -147.2 | 127 | 153.8 | -108.1 | -84.9 | 0 | 0 | 0 | 109.5 | ||||
| 307 | G | 42.6 | Very low | 42 | Very low | 85 Ų | 85 | 151.9 Ų | 151.9 | 88% | 0.876 | 81% | 0.811 | S | S | * | * | trans | 92.8 | 127 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 308 | G | 37.3 | Very low | 41.4 | Very low | 73 Ų | 73 | 151.7 Ų | 151.7 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | cis | 149.5 | 133 | 11.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 309 | R | 42.5 | Very low | 41.1 | Very low | 253 Ų | 253 | 154 Ų | 154 | 96% | 0.955 | 82% | 0.823 | S | S | * | * | trans | 81.1 | 119.2 | 172.4 | -65.9 | -174.3 | -168.8 | -126.9 | 1.4 | 120.2 | ||||
| 310 | H | 37.5 | Very low | 40.8 | Very low | 175 Ų | 175 | 155 Ų | 155 | 81% | 0.81 | 83% | 0.831 | S | S | * | * | trans | -57.9 | 152.7 | 153.6 | -104.8 | -96.8 | 0 | 0 | 0 | 112.2 | ||||
| 311 | P | 44.9 | Very low | 40.5 | Very low | 120 Ų | 120 | 151.3 Ų | 151.3 | 78% | 0.779 | 83% | 0.829 | S | S | * | * | -137.6 | 127.3 | 91.4 | 26.4 | -7.1 | 0 | 0 | 0 | 112.4 | |||||
| 312 | A | 39.6 | Very low | 40.2 | Very low | 92 Ų | 92 | 151.4 Ų | 151.4 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | 59.3 | 77 | 98.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 313 | E | 47.6 | Very low | 40 | Very low | 190 Ų | 190 | 148.1 Ų | 148.1 | 89% | 0.888 | 83% | 0.827 | S | S | * | * | trans | -144.1 | 128.2 | 153.7 | -161.3 | 167.3 | -170 | 0 | 0 | 109.5 | ||||
| 314 | R | 40.9 | Very low | 40.5 | Very low | 253 Ų | 253 | 150.6 Ų | 150.6 | 96% | 0.955 | 83% | 0.828 | S | S | * | * | trans | -81.4 | 116.4 | -179.5 | -75.5 | 175.1 | 174.5 | 167.3 | -1.8 | 108.9 | ||||
| 315 | A | 47.4 | Very low | 41.4 | Very low | 92 Ų | 92 | 150.9 Ų | 150.9 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | trans | -156.9 | 155.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 316 | P | 39 | Very low | 41.9 | Very low | 107 Ų | 107 | 144.8 Ų | 144.8 | 70% | 0.695 | 81% | 0.811 | S | S | * | * | trans | -89 | 157.7 | -133.7 | 34 | -35.8 | 0 | 0 | 0 | 115 | T318 | P316-T318 PolarHBondContact O-N 3.39Š| ||
| 317 | M | 36.4 | Very low | 43.2 | Very low | 194 Ų | 194 | 137.9 Ų | 137.9 | 96% | 0.956 | 79% | 0.787 | S | S | * | * | trans | -49.1 | 101 | 175.8 | -52.7 | -161.6 | 74.1 | 0 | 0 | 111.9 | ||||
| 318 | T | 39.5 | Very low | 44.7 | Very low | 121 Ų | 121 | 140 Ų | 140 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | trans | -118.6 | 100 | 169.4 | 44.5 | 0 | 0 | 0 | 0 | 108.7 | P316 A320 | P316-T318 PolarHBondContact O-N 3.39Å; T318-A320 PolarHBondContact O-N 2.99Å | ||
| 319 | K | 40.8 | Very low | 46.9 | Very low | 201 Ų | 201 | 140 Ų | 140 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | trans | 31.2 | 91.2 | 150.2 | -57.7 | -178.8 | -176.6 | 178.2 | 0 | 114.7 | S321 | K319-S321 PolarHBondContact O-N 3.45Š| ||
| 320 | A | 37.9 | Very low | 48.9 | Very low | 104 Ų | 104 | 133.7 Ų | 133.7 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | trans | -49 | 110.1 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | T318 N322 | T318-A320 PolarHBondContact O-N 2.99Å; A320-N322 PolarHBondContact O-N 2.87Å | ||
| 321 | S | 37.9 | Very low | 51.4 | Low | 108 Ų | 108 | 133.5 Ų | 133.5 | 76% | 0.755 | 73% | 0.727 | S | S | * | * | trans | -56.1 | 130.3 | 172.8 | 40.5 | 0 | 0 | 0 | 0 | 108.6 | K319 S323 | K319-S321 PolarHBondContact O-N 3.45Å; S321-S323 VanDerWaalsContact C-N 3.32Å; S321-S323 PolarHBondContact O-N 3.2Å | ||
| 322 | N | 36.5 | Very low | 53.5 | Low | 135 Ų | 135 | 133.1 Ų | 133.1 | 72% | 0.722 | 71% | 0.713 | S | S | * | * | trans | -52.5 | 91.6 | 171 | -94.9 | -29.3 | 0 | 0 | 0 | 110.3 | A320 Q324 | A320-N322 PolarHBondContact O-N 2.87Å; N322-Q324 HydrophobicContact CB-CG 4.11Å; N322-Q324 PolarHBondContact O-N 2.91Å | ||
| 323 | S | 38 | Very low | 56 | Low | 115 Ų | 115 | 132.5 Ų | 132.5 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | trans | -73.1 | 71.2 | 148 | 54.4 | 0 | 0 | 0 | 0 | 106.9 | S321 E325 | S321-S323 VanDerWaalsContact C-N 3.32Å; S321-S323 PolarHBondContact O-N 3.2Å; S323-E325 PolarHBondContact O-N 2.98Å | ||
| 324 | Q | 47.3 | Very low | 58.1 | Low | 159 Ų | 159 | 126.8 Ų | 126.8 | 74% | 0.743 | 67% | 0.672 | S | S | * | * | trans | -66.9 | 81 | 167.6 | -89.6 | -178.3 | -24.8 | 0 | 0 | 107.6 | N322 C326 | N322-Q324 HydrophobicContact CB-CG 4.11Å; N322-Q324 PolarHBondContact O-N 2.91Å; Q324-C326 PolarHBondContact O-N 3.41Å | ||
| 325 | E | 54.9 | Low | 60.6 | Low | 123 Ų | 123 | 122.6 Ų | 122.6 | 58% | 0.575 | 66% | 0.656 | S | S | * | * | trans | -53.8 | 111.9 | 157.9 | -163.5 | 171.2 | -155.8 | 0 | 0 | 105.6 | S323 V327 R359 | S323-E325 PolarHBondContact O-N 2.98Å; E325-V327 PolarHBondContact O-N 3.19Å; E325-R359 IonicContact OE1-CZ 3.05Å; E325-R359 IonicContact OE1-NH1 3.59Å; E325-R359 PolarHBondContact OE1-NH1 2.9Å; E325-R359 IonicContact OE1-NH2 2.77Å; E325-R359 PolarHBondContact OE1-NH2 3.3Å; E325-R359 IonicContact OE2-NH1 3.03Å | ||
| 326 | C | 52.1 | Low | 62.6 | Low | 117 Ų | 117 | 124.2 Ų | 124.2 | 79% | 0.791 | 64% | 0.643 | S | S | * | * | trans | -58.6 | 112 | -169.1 | 72.9 | 0 | 0 | 0 | 0 | 108.8 | Q324 K328 | Q324-C326 PolarHBondContact O-N 3.41Å; C326-K328 PolarHBondContact O-N 2.94Å | ||
| 327 | V | 66.8 | Low | 65.1 | Low | 79 Ų | 79 | 124.6 Ų | 124.6 | 48% | 0.479 | 66% | 0.655 | S | S | . | * | trans | -67.6 | 103.5 | -178.8 | 177.6 | 0 | 0 | 0 | 0 | 106.8 | E325 M329 P347 I352 | E325-V327 PolarHBondContact O-N 3.19Å; V327-M329 HydrophobicContact CG1-SD 4.34Å; V327-M329 WeakPolarHBondContact O-CG 3.41Å; V327-M329 PolarHBondContact O-N 3.45Å; V327-P347 HydrophobicContact CG1-CB 3.68Å; V327-P347 HydrophobicContact CG1-CG 4.39Å; V327-I352 HydrophobicContact CG1-CD1 4.1Å | ||
| 328 | K | 73.1 | Confident | 67.7 | Low | 128 Ų | 128 | 120.3 Ų | 120.3 | 56% | 0.557 | 64% | 0.636 | S | S | * | * | trans | -57.5 | 127.1 | 175.9 | -166.8 | 170.9 | 177 | -176.1 | 0 | 108.4 | C326 V348 | C326-K328 PolarHBondContact O-N 2.94Å; K328-V348 HydrophobicContact CB-CB 4.45Å; K328-V348 HydrophobicContact CB-CG2 4.43Å; K328-V348 HydrophobicContact CG-CG2 4.38Å; K328-V348 WeakPolarHBondContact O-CB 3.5Å; K328-V348 WeakPolarHBondContact O-CG2 3.42Å; K328-V348 PolarHBondContact O-N 2.93Å | ||
| 329 | M | 83.3 | Confident | 70.2 | Confident | 75 Ų | 75 | 116 Ų | 116 | 37% | 0.369 | 62% | 0.616 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.4 | 140.2 | -177.6 | -65.1 | -67.2 | -101.5 | 0 | 0 | 109.7 | V327 R345 P347 | V327-M329 HydrophobicContact CG1-SD 4.34Å; V327-M329 WeakPolarHBondContact O-CG 3.41Å; V327-M329 PolarHBondContact O-N 3.45Å; M329-R345 HydrophobicContact CE-CB 4.03Å; M329-P347 HydrophobicContact SD-CB 4.26Å; M329-P347 HydrophobicContact SD-CG 4Å |
| 330 | E | 86.3 | Confident | 72.6 | Confident | 120 Ų | 120 | 109.4 Ų | 109.4 | 56% | 0.561 | 59% | 0.592 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -120 | 140.2 | 173.4 | -179.3 | -178.8 | -172.8 | 0 | 0 | 110.2 | R346 V348 | E330-R346 PolarHBondContact N-O 3.13Å; E330-R346 PolarHBondContact O-N 3.15Å; E330-V348 HydrophobicContact CB-CG2 3.56Å |
| 331 | W | 89.7 | Confident | 75.2 | Confident | 171 Ų | 171 | 113.2 Ų | 113.2 | 65% | 0.648 | 58% | 0.584 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.6 | 114 | 175.5 | -65.1 | 100.5 | 0 | 0 | 0 | 109.8 | I343 R345 | W331-I343 HydrophobicContact CB-CG2 3.92Å; W331-I343 HydrophobicContact CD2-CG2 4.32Å; W331-I343 HydrophobicContact CE3-CG2 3.6Å; W331-I343 HydrophobicContact CZ3-CG2 4.42Å; W331-R345 HydrophobicContact CD2-CG 3.75Å; W331-R345 HydrophobicContact CE3-CB 4.46Å; W331-R345 HydrophobicContact CE3-CG 3.37Å; W331-R345 HydrophobicContact CH2-CG 3.37Å; W331-R345 HydrophobicContact CZ2-CG 3.67Å; W331-R345 HydrophobicContact CZ3-CB 4.49Å; W331-R345 HydrophobicContact CZ3-CG 3.22Å |
| 332 | K | 88.3 | Confident | 77.7 | Confident | 111 Ų | 111 | 111.4 Ų | 111.4 | 48% | 0.483 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.7 | 122.4 | 177.1 | -174.1 | 168.6 | -175.7 | 169.2 | 0 | 110.6 | K334 T344 | K332-K334 HydrophobicContact CG-CG 4.43Å; K332-T344 PolarHBondContact N-O 2.94Å; K332-T344 PolarHBondContact O-N 3.42Å |
| 333 | V | 91.5 | Very high | 80.2 | Confident | 79 Ų | 79 | 110.2 Ų | 110.2 | 48% | 0.479 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.2 | 126.4 | 169.9 | -173.3 | 0 | 0 | 0 | 0 | 109 | R341 Y342 I343 | V333-R341 HydrophobicContact CG1-CB 3.87Å; V333-R341 HydrophobicContact CG1-CG 4.21Å; V333-Y342 CarbonylContact C-O 3.59Å; V333-Y342 WeakPolarHBondContact CA-O 3.41Å; V333-I343 HydrophobicContact CG2-CG1 4.31Å |
| 334 | K | 91.8 | Very high | 82.7 | Confident | 70 Ų | 70 | 106.8 Ų | 106.8 | 30% | 0.304 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 143.5 | 173.8 | -67.1 | -178.9 | 73.3 | -161.9 | 0 | 109.2 | K332 R341 Y342 | K332-K334 HydrophobicContact CG-CG 4.43Å; K334-R341 WeakPolarHBondContact O-CA 3.44Å; K334-Y342 HydrophobicContact CB-CD1 4.36Å; K334-Y342 HydrophobicContact CB-CD2 4.33Å; K334-Y342 HydrophobicContact CB-CE1 3.8Å; K334-Y342 HydrophobicContact CB-CE2 3.77Å; K334-Y342 VanDerWaalsContact CB-CZ 3.47Å; K334-Y342 HydrophobicContact CD-CE2 3.91Å; K334-Y342 VanDerWaalsContact CE-OH 3.29Å; K334-Y342 WeakPolarHBondContact CE-OH 3.36Å; K334-Y342 HydrophobicContact CG-CE2 4.31Å; K334-Y342 PolarHBondContact N-O 3.46Å; K334-Y342 PolarHBondContact NZ-OH 2.93Å; K334-Y342 PolarHBondContact O-N 3.29Å |
| 335 | R | 93.2 | Very high | 84.6 | Confident | 166 Ų | 166 | 106 Ų | 106 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 137.5 | 170.7 | -68.3 | -172.4 | 70.1 | -131.9 | 1.6 | 109.5 | T340 R341 | R335-T340 WeakPolarHBondContact CA-O 3.39Å; R335-R341 HydrophobicContact CG-CG 4.13Å |
| 336 | R | 91.3 | Very high | 85.9 | Confident | 126 Ų | 126 | 105.4 Ų | 105.4 | 48% | 0.475 | 51% | 0.511 | S | S | . | . | trans | -91.1 | 165.1 | 171.3 | -173.6 | -175.1 | -69.1 | 124.3 | -11.5 | 108.9 | D338 G339 T340 Y342 | R336-D338 WeakPolarHBondContact CB-OD1 3.34Å; R336-D338 WeakPolarHBondContact CD-OD1 3.28Å; R336-D338 WeakPolarHBondContact CD-OD2 3.45Å; R336-D338 WeakPolarHBondContact CG-OD1 3.36Å; R336-D338 PolarHBondContact O-N 2.99Å; R336-G339 PolarHBondContact O-N 3.4Å; R336-T340 PolarHBondContact N-O 3.48Å; R336-T340 PolarHBondContact NH1-OG1 3.29Å; R336-Y342 HydrophobicContact CB-CD1 4.32Å; R336-Y342 HydrophobicContact CB-CE1 4.19Å | ||
| 337 | A | 90.4 | Very high | 87.3 | Confident | 115 Ų | 115 | 103.4 Ų | 103.4 | 95% | 0.95 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -26.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.2 | G339 | A337-G339 PolarHBondContact O-N 3.42Š|
| 338 | D | 92.1 | Very high | 87.7 | Confident | 104 Ų | 104 | 100.3 Ų | 100.3 | 56% | 0.556 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -0.5 | 173.9 | 63.7 | -1.6 | 0 | 0 | 0 | 114 | R336 T340 | R336-D338 WeakPolarHBondContact CB-OD1 3.34Å; R336-D338 WeakPolarHBondContact CD-OD1 3.28Å; R336-D338 WeakPolarHBondContact CD-OD2 3.45Å; R336-D338 WeakPolarHBondContact CG-OD1 3.36Å; R336-D338 PolarHBondContact O-N 2.99Å; D338-T340 VanDerWaalsContact C-N 3.34Å; D338-T340 VanDerWaalsContact CG-OG1 3.23Å; D338-T340 PolarHBondContact O-N 3.32Å; D338-T340 PolarHBondContact OD1-N 3.47Å; D338-T340 PolarHBondContact OD1-OG1 2.97Å; D338-T340 PolarHBondContact OD2-OG1 3.48Å; D338-T340 VanDerWaalsContact OD2-OG1 3.09Å |
| 339 | G | 90.9 | Very high | 88.1 | Confident | 31 Ų | 31 | 102.2 Ų | 102.2 | 32% | 0.32 | 48% | 0.481 | S | S | . | . | S | Bend | trans | 88 | -10.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | R336 A337 | R336-G339 PolarHBondContact O-N 3.4Å; A337-G339 PolarHBondContact O-N 3.42Å |
| 340 | T | 90.4 | Very high | 87.8 | Confident | 61 Ų | 61 | 107.4 Ų | 107.4 | 37% | 0.374 | 50% | 0.502 | S | S | . | . | trans | -70.1 | 154.9 | 176.6 | 63.2 | 0 | 0 | 0 | 0 | 111.9 | R335 R336 D338 | R335-T340 WeakPolarHBondContact CA-O 3.39Å; R336-T340 PolarHBondContact N-O 3.48Å; R336-T340 PolarHBondContact NH1-OG1 3.29Å; D338-T340 VanDerWaalsContact C-N 3.34Å; D338-T340 VanDerWaalsContact CG-OG1 3.23Å; D338-T340 PolarHBondContact O-N 3.32Å; D338-T340 PolarHBondContact OD1-N 3.47Å; D338-T340 PolarHBondContact OD1-OG1 2.97Å; D338-T340 PolarHBondContact OD2-OG1 3.48Å; D338-T340 VanDerWaalsContact OD2-OG1 3.09Å | ||
| 341 | R | 92.4 | Very high | 87.3 | Confident | 185 Ų | 185 | 105.6 Ų | 105.6 | 70% | 0.698 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111 | 135.7 | -179 | -66.1 | 175.8 | -172.8 | -115.4 | 3.5 | 109.8 | V333 K334 R335 | V333-R341 HydrophobicContact CG1-CB 3.87Å; V333-R341 HydrophobicContact CG1-CG 4.21Å; K334-R341 WeakPolarHBondContact O-CA 3.44Å; R335-R341 HydrophobicContact CG-CG 4.13Å |
| 342 | Y | 91.4 | Very high | 86.8 | Confident | 70 Ų | 70 | 100.8 Ų | 100.8 | 28% | 0.275 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 150.1 | 170.9 | 65 | -87.3 | 0 | 0 | 0 | 110.3 | V333 K334 R336 T344 | V333-Y342 CarbonylContact C-O 3.59Å; V333-Y342 WeakPolarHBondContact CA-O 3.41Å; K334-Y342 HydrophobicContact CB-CD1 4.36Å; K334-Y342 HydrophobicContact CB-CD2 4.33Å; K334-Y342 HydrophobicContact CB-CE1 3.8Å; K334-Y342 HydrophobicContact CB-CE2 3.77Å; K334-Y342 VanDerWaalsContact CB-CZ 3.47Å; K334-Y342 HydrophobicContact CD-CE2 3.91Å; K334-Y342 VanDerWaalsContact CE-OH 3.29Å; K334-Y342 WeakPolarHBondContact CE-OH 3.36Å; K334-Y342 HydrophobicContact CG-CE2 4.31Å; K334-Y342 PolarHBondContact N-O 3.46Å; K334-Y342 PolarHBondContact NZ-OH 2.93Å; K334-Y342 PolarHBondContact O-N 3.29Å; R336-Y342 HydrophobicContact CB-CD1 4.32Å; R336-Y342 HydrophobicContact CB-CE1 4.19Å; Y342-T344 WeakPolarHBondContact CD2-OG1 3.43Å; Y342-T344 WeakPolarHBondContact CE2-OG1 3.36Å |
| 343 | I | 89.5 | Confident | 86.5 | Confident | 109 Ų | 109 | 99.3 Ų | 99.3 | 56% | 0.559 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 132.3 | -178.2 | -42.3 | -177.6 | 0 | 0 | 0 | 108.2 | W331 V333 | W331-I343 HydrophobicContact CB-CG2 3.92Å; W331-I343 HydrophobicContact CD2-CG2 4.32Å; W331-I343 HydrophobicContact CE3-CG2 3.6Å; W331-I343 HydrophobicContact CZ3-CG2 4.42Å; V333-I343 HydrophobicContact CG2-CG1 4.31Å |
| 344 | T | 89.2 | Confident | 86.2 | Confident | 44 Ų | 44 | 102.4 Ų | 102.4 | 27% | 0.27 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 129.5 | 176.5 | -51.2 | 0 | 0 | 0 | 0 | 109.8 | K332 Y342 R346 | K332-T344 PolarHBondContact N-O 2.94Å; K332-T344 PolarHBondContact O-N 3.42Å; Y342-T344 WeakPolarHBondContact CD2-OG1 3.43Å; Y342-T344 WeakPolarHBondContact CE2-OG1 3.36Å; T344-R346 HydrophobicContact CG2-CG 4.29Å |
| 345 | R | 88.3 | Confident | 85.8 | Confident | 142 Ų | 142 | 102.5 Ų | 102.5 | 54% | 0.536 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 128.9 | 167.3 | -71.3 | 174.8 | 64.7 | -173 | -3.4 | 109.4 | M329 W331 | M329-R345 HydrophobicContact CE-CB 4.03Å; W331-R345 HydrophobicContact CD2-CG 3.75Å; W331-R345 HydrophobicContact CE3-CB 4.46Å; W331-R345 HydrophobicContact CE3-CG 3.37Å; W331-R345 HydrophobicContact CH2-CG 3.37Å; W331-R345 HydrophobicContact CZ2-CG 3.67Å; W331-R345 HydrophobicContact CZ3-CB 4.49Å; W331-R345 HydrophobicContact CZ3-CG 3.22Å |
| 346 | R | 82 | Confident | 85.5 | Confident | 110 Ų | 110 | 102.5 Ų | 102.5 | 42% | 0.415 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 137.3 | 174 | -66.4 | -170.9 | 172.6 | -151.2 | -9.5 | 110.2 | E330 T344 V348 | E330-R346 PolarHBondContact N-O 3.13Å; E330-R346 PolarHBondContact O-N 3.15Å; T344-R346 HydrophobicContact CG2-CG 4.29Å; R346-V348 PolarHBondContact O-N 3.38Å |
| 347 | P | 81.4 | Confident | 85.2 | Confident | 76 Ų | 76 | 99.3 Ų | 99.3 | 49% | 0.494 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 134.8 | 166.3 | -26.3 | 35.8 | 0 | 0 | 0 | 110.4 | V327 M329 R349 | V327-P347 HydrophobicContact CG1-CB 3.68Å; V327-P347 HydrophobicContact CG1-CG 4.39Å; M329-P347 HydrophobicContact SD-CB 4.26Å; M329-P347 HydrophobicContact SD-CG 4Å; P347-R349 PolarHBondContact O-N 3.18Å |
| 348 | V | 75.6 | Confident | 84.7 | Confident | 13 Ų | 13 | 98.7 Ų | 98.7 | 8% | 0.079 | 47% | 0.465 | C | S | . | . | trans | -78.5 | 61.6 | 174.7 | -168.2 | 0 | 0 | 0 | 0 | 109.3 | K328 E330 R346 K350 Q351 I352 | K328-V348 HydrophobicContact CB-CB 4.45Å; K328-V348 HydrophobicContact CB-CG2 4.43Å; K328-V348 HydrophobicContact CG-CG2 4.38Å; K328-V348 WeakPolarHBondContact O-CB 3.5Å; K328-V348 WeakPolarHBondContact O-CG2 3.42Å; K328-V348 PolarHBondContact O-N 2.93Å; E330-V348 HydrophobicContact CB-CG2 3.56Å; R346-V348 PolarHBondContact O-N 3.38Å; V348-K350 PolarHBondContact O-N 3.38Å; V348-K350 VanDerWaalsContact O-N 3.14Å; V348-Q351 HydrophobicContact CG1-CB 3.69Å; V348-Q351 VanDerWaalsContact CG1-CD 3.44Å; V348-Q351 HydrophobicContact CG1-CG 3.46Å; V348-Q351 VanDerWaalsContact CG1-CG 3.46Å; V348-Q351 PolarHBondContact O-N 2.93Å; V348-Q351 VanDerWaalsContact O-N 3.08Å; V348-I352 PolarHBondContact O-N 3.3Å | ||
| 349 | R | 80.5 | Confident | 84.3 | Confident | 169 Ų | 169 | 99.7 Ų | 99.7 | 64% | 0.638 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -57.7 | -29.5 | 179.2 | -177.7 | 177.4 | 168.3 | 90.6 | -0.3 | 111.6 | P347 I352 L353 | P347-R349 PolarHBondContact O-N 3.18Å; R349-I352 PolarHBondContact O-N 3.3Å; R349-L353 HydrophobicContact CG-CD1 3.79Å; R349-L353 HydrophobicContact CG-CG 3.95Å; R349-L353 VanDerWaalsContact O-CB 3.26Å; R349-L353 WeakPolarHBondContact O-CB 3.46Å; R349-L353 WeakPolarHBondContact O-CG 3.47Å; R349-L353 PolarHBondContact O-N 2.89Å |
| 350 | K | 77.5 | Confident | 83.9 | Confident | 184 Ų | 184 | 101.1 Ų | 101.1 | 80% | 0.8 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.1 | -37 | 177.5 | -68.5 | -170.3 | 176.2 | -169.9 | 0 | 112.9 | V348 K354 | V348-K350 PolarHBondContact O-N 3.38Å; V348-K350 VanDerWaalsContact O-N 3.14Å; K350-K354 VanDerWaalsContact O-CB 3.28Å; K350-K354 WeakPolarHBondContact O-CB 3.28Å; K350-K354 PolarHBondContact O-N 3.45Å; K350-K354 VanDerWaalsContact O-N 3.08Å |
| 351 | Q | 75.9 | Confident | 83.5 | Confident | 82 Ų | 82 | 100.4 Ų | 100.4 | 38% | 0.383 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -72.1 | -48.9 | 175.6 | -73.1 | 176.2 | 17.1 | 0 | 0 | 109.5 | V348 L353 K354 D355 | V348-Q351 HydrophobicContact CG1-CB 3.69Å; V348-Q351 VanDerWaalsContact CG1-CD 3.44Å; V348-Q351 HydrophobicContact CG1-CG 3.46Å; V348-Q351 VanDerWaalsContact CG1-CG 3.46Å; V348-Q351 PolarHBondContact O-N 2.93Å; V348-Q351 VanDerWaalsContact O-N 3.08Å; Q351-L353 VanDerWaalsContact C-N 3.29Å; Q351-L353 PolarHBondContact O-N 2.77Å; Q351-K354 CarbonylContact O-C 3.59Å; Q351-K354 WeakPolarHBondContact O-CA 3.33Å; Q351-K354 WeakPolarHBondContact O-CB 3.29Å; Q351-K354 PolarHBondContact O-N 3.26Å; Q351-D355 WeakPolarHBondContact O-CB 3.43Å; Q351-D355 PolarHBondContact O-N 3.3Å |
| 352 | I | 79.4 | Confident | 82.7 | Confident | 70 Ų | 70 | 96.4 Ų | 96.4 | 36% | 0.359 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58 | -40.6 | 178 | -58.1 | 167.3 | 0 | 0 | 0 | 112.1 | V327 V348 R349 R356 | V327-I352 HydrophobicContact CG1-CD1 4.1Å; V348-I352 PolarHBondContact O-N 3.3Å; R349-I352 PolarHBondContact O-N 3.3Å; I352-R356 WeakPolarHBondContact O-CB 3.33Å; I352-R356 PolarHBondContact O-N 2.64Å |
| 353 | L | 81.9 | Confident | 82.1 | Confident | 79 Ų | 79 | 100.2 Ų | 100.2 | 41% | 0.414 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.6 | -36.9 | 176.2 | -73.6 | 177.1 | 0 | 0 | 0 | 112.5 | R349 Q351 A357 | R349-L353 HydrophobicContact CG-CD1 3.79Å; R349-L353 HydrophobicContact CG-CG 3.95Å; R349-L353 VanDerWaalsContact O-CB 3.26Å; R349-L353 WeakPolarHBondContact O-CB 3.46Å; R349-L353 WeakPolarHBondContact O-CG 3.47Å; R349-L353 PolarHBondContact O-N 2.89Å; Q351-L353 VanDerWaalsContact C-N 3.29Å; Q351-L353 PolarHBondContact O-N 2.77Å; L353-A357 VanDerWaalsContact O-CB 3.28Å; L353-A357 WeakPolarHBondContact O-CB 3.44Å; L353-A357 PolarHBondContact O-N 3Å |
| 354 | K | 85.5 | Confident | 81.6 | Confident | 145 Ų | 145 | 104 Ų | 104 | 63% | 0.63 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -66.6 | -50 | 175.8 | -173.2 | -172.5 | 175.5 | -162.9 | 0 | 110.2 | K350 Q351 R356 A357 E358 | K350-K354 VanDerWaalsContact O-CB 3.28Å; K350-K354 WeakPolarHBondContact O-CB 3.28Å; K350-K354 PolarHBondContact O-N 3.45Å; K350-K354 VanDerWaalsContact O-N 3.08Å; Q351-K354 CarbonylContact O-C 3.59Å; Q351-K354 WeakPolarHBondContact O-CA 3.33Å; Q351-K354 WeakPolarHBondContact O-CB 3.29Å; Q351-K354 PolarHBondContact O-N 3.26Å; K354-R356 VanDerWaalsContact C-N 3.31Å; K354-R356 PolarHBondContact O-N 3.33Å; K354-A357 WeakPolarHBondContact O-CB 3.45Å; K354-A357 PolarHBondContact O-N 2.94Å; K354-A357 VanDerWaalsContact O-N 3.09Å; K354-E358 WeakPolarHBondContact O-CB 3.49Å; K354-E358 PolarHBondContact O-N 2.93Å |
| 355 | D | 82.7 | Confident | 79.9 | Confident | 72 Ų | 72 | 107.5 Ų | 107.5 | 39% | 0.385 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 178.8 | -60.3 | -3.6 | 0 | 0 | 0 | 110.6 | Q351 E358 R359 | Q351-D355 WeakPolarHBondContact O-CB 3.43Å; Q351-D355 PolarHBondContact O-N 3.3Å; D355-E358 PolarHBondContact O-N 3.09Å; D355-R359 WeakPolarHBondContact O-CB 3.34Å; D355-R359 WeakPolarHBondContact O-CG 3.33Å; D355-R359 PolarHBondContact O-N 2.85Å |
| 356 | R | 86.4 | Confident | 78.5 | Confident | 166 Ų | 166 | 104.3 Ų | 104.3 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.3 | -41.9 | 172.9 | -176.5 | 177.6 | -178.5 | -179.9 | 1.7 | 112.4 | I352 K354 E358 L360 | I352-R356 WeakPolarHBondContact O-CB 3.33Å; I352-R356 PolarHBondContact O-N 2.64Å; K354-R356 VanDerWaalsContact C-N 3.31Å; K354-R356 PolarHBondContact O-N 3.33Å; R356-E358 VanDerWaalsContact C-N 3.31Å; R356-L360 HydrophobicContact CG-CD1 4.32Å; R356-L360 WeakPolarHBondContact O-CB 3.42Å; R356-L360 WeakPolarHBondContact O-CG 3.33Å; R356-L360 PolarHBondContact O-N 2.94Å |
| 357 | A | 85 | Confident | 77.2 | Confident | 59 Ų | 59 | 105.1 Ų | 105.1 | 49% | 0.488 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.1 | -37.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L353 K354 A361 | L353-A357 VanDerWaalsContact O-CB 3.28Å; L353-A357 WeakPolarHBondContact O-CB 3.44Å; L353-A357 PolarHBondContact O-N 3Å; K354-A357 WeakPolarHBondContact O-CB 3.45Å; K354-A357 PolarHBondContact O-N 2.94Å; K354-A357 VanDerWaalsContact O-N 3.09Å; A357-A361 WeakPolarHBondContact O-CB 3.38Å; A357-A361 PolarHBondContact O-N 3.24Å |
| 358 | E | 81.7 | Confident | 75.7 | Confident | 102 Ų | 102 | 105.3 Ų | 105.3 | 48% | 0.477 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.6 | -45.3 | 174.9 | -174.8 | 171.1 | -176.2 | 0 | 0 | 111.7 | K354 D355 R356 L360 A361 N362 | K354-E358 WeakPolarHBondContact O-CB 3.49Å; K354-E358 PolarHBondContact O-N 2.93Å; D355-E358 PolarHBondContact O-N 3.09Å; R356-E358 VanDerWaalsContact C-N 3.31Å; E358-L360 PolarHBondContact O-N 3.25Å; E358-A361 WeakPolarHBondContact O-CB 3.07Å; E358-A361 PolarHBondContact O-N 3.41Å; E358-A361 VanDerWaalsContact O-N 3.1Å; E358-N362 VanDerWaalsContact O-CG 3.31Å; E358-N362 PolarHBondContact O-N 2.98Å |
| 359 | R | 83.3 | Confident | 74.8 | Confident | 124 Ų | 124 | 110.6 Ų | 110.6 | 47% | 0.468 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -57.7 | -47.2 | 171.6 | -72.7 | -179.2 | -162.4 | 165.1 | 7.8 | 111.6 | E325 D355 A361 N362 E363 | E325-R359 IonicContact OE1-CZ 3.05Å; E325-R359 IonicContact OE1-NH1 3.59Å; E325-R359 PolarHBondContact OE1-NH1 2.9Å; E325-R359 IonicContact OE1-NH2 2.77Å; E325-R359 PolarHBondContact OE1-NH2 3.3Å; E325-R359 IonicContact OE2-NH1 3.03Å; D355-R359 WeakPolarHBondContact O-CB 3.34Å; D355-R359 WeakPolarHBondContact O-CG 3.33Å; D355-R359 PolarHBondContact O-N 2.85Å; R359-A361 VanDerWaalsContact C-N 3.28Å; R359-A361 PolarHBondContact O-N 3.27Å; R359-N362 PolarHBondContact O-N 3.34Å; R359-E363 WeakPolarHBondContact O-CB 3.28Å; R359-E363 WeakPolarHBondContact O-CG 3.41Å; R359-E363 PolarHBondContact O-N 2.85Å |
| 360 | L | 82 | Confident | 73.8 | Confident | 62 Ų | 62 | 107.2 Ų | 107.2 | 33% | 0.325 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.8 | -32.7 | 175.1 | -76.2 | 170.9 | 0 | 0 | 0 | 113 | R356 E358 R364 | R356-L360 HydrophobicContact CG-CD1 4.32Å; R356-L360 WeakPolarHBondContact O-CB 3.42Å; R356-L360 WeakPolarHBondContact O-CG 3.33Å; R356-L360 PolarHBondContact O-N 2.94Å; E358-L360 PolarHBondContact O-N 3.25Å; L360-R364 VanDerWaalsContact O-CB 3.31Å; L360-R364 WeakPolarHBondContact O-CB 3.33Å; L360-R364 VanDerWaalsContact O-CD 3.3Å; L360-R364 WeakPolarHBondContact O-CD 3.31Å; L360-R364 WeakPolarHBondContact O-CG 3.29Å; L360-R364 PolarHBondContact O-N 3.34Å |
| 361 | A | 81.2 | Confident | 72.7 | Confident | 46 Ų | 46 | 103.4 Ų | 103.4 | 38% | 0.38 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.2 | -45.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | A357 E358 R359 R364 F365 | A357-A361 WeakPolarHBondContact O-CB 3.38Å; A357-A361 PolarHBondContact O-N 3.24Å; E358-A361 WeakPolarHBondContact O-CB 3.07Å; E358-A361 PolarHBondContact O-N 3.41Å; E358-A361 VanDerWaalsContact O-N 3.1Å; R359-A361 VanDerWaalsContact C-N 3.28Å; R359-A361 PolarHBondContact O-N 3.27Å; A361-R364 CarbonylContact O-C 3.54Å; A361-R364 PolarHBondContact O-N 3.41Å; A361-F365 WeakPolarHBondContact O-CB 3.46Å; A361-F365 WeakPolarHBondContact O-CD2 3.45Å; A361-F365 PolarHBondContact O-N 2.9Å |
| 362 | N | 77.4 | Confident | 71.9 | Confident | 100 Ų | 100 | 105 Ų | 105 | 54% | 0.535 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.1 | -41 | 178.2 | -67.3 | -14.3 | 0 | 0 | 0 | 112.7 | E358 R359 R364 F365 | E358-N362 VanDerWaalsContact O-CG 3.31Å; E358-N362 PolarHBondContact O-N 2.98Å; R359-N362 PolarHBondContact O-N 3.34Å; N362-R364 VanDerWaalsContact C-N 3.3Å; N362-R364 PolarHBondContact O-N 3.11Å; N362-F365 WeakPolarHBondContact O-CA 3.41Å; N362-F365 WeakPolarHBondContact O-CB 3.46Å; N362-F365 PolarHBondContact O-N 2.89Å |
| 363 | E | 78.4 | Confident | 70.9 | Confident | 151 Ų | 151 | 105 Ų | 105 | 71% | 0.706 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.1 | -31.1 | 175.7 | -73.3 | 171.2 | -166.7 | 0 | 0 | 112.4 | R359 F365 | R359-E363 WeakPolarHBondContact O-CB 3.28Å; R359-E363 WeakPolarHBondContact O-CG 3.41Å; R359-E363 PolarHBondContact O-N 2.85Å; E363-F365 VanDerWaalsContact C-N 3.26Å |
| 364 | R | 77.9 | Confident | 69.8 | Low | 189 Ų | 189 | 105.3 Ų | 105.3 | 71% | 0.713 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -6.3 | 172.8 | -68.2 | 172 | -178.5 | 176.7 | -1.2 | 112.4 | L360 A361 N362 G366 | L360-R364 VanDerWaalsContact O-CB 3.31Å; L360-R364 WeakPolarHBondContact O-CB 3.33Å; L360-R364 VanDerWaalsContact O-CD 3.3Å; L360-R364 WeakPolarHBondContact O-CD 3.31Å; L360-R364 WeakPolarHBondContact O-CG 3.29Å; L360-R364 PolarHBondContact O-N 3.34Å; A361-R364 CarbonylContact O-C 3.54Å; A361-R364 PolarHBondContact O-N 3.41Å; N362-R364 VanDerWaalsContact C-N 3.3Å; N362-R364 PolarHBondContact O-N 3.11Å; R364-G366 VanDerWaalsContact C-N 3.28Å; R364-G366 PolarHBondContact O-N 3.49Å |
| 365 | F | 54.8 | Low | 68.4 | Low | 116 Ų | 116 | 102.7 Ų | 102.7 | 51% | 0.509 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.9 | 81.5 | 179 | -125.8 | -90.4 | 0 | 0 | 0 | 109.2 | A361 N362 E363 D371 | A361-F365 WeakPolarHBondContact O-CB 3.46Å; A361-F365 WeakPolarHBondContact O-CD2 3.45Å; A361-F365 PolarHBondContact O-N 2.9Å; N362-F365 WeakPolarHBondContact O-CA 3.41Å; N362-F365 WeakPolarHBondContact O-CB 3.46Å; N362-F365 PolarHBondContact O-N 2.89Å; E363-F365 VanDerWaalsContact C-N 3.26Å; F365-D371 HydrophobicContact CE1-CB 4.4Å; F365-D371 HydrophobicContact CZ-CB 3.9Å |
| 366 | G | 58 | Low | 67.3 | Low | 75 Ų | 75 | 104.3 Ų | 104.3 | 77% | 0.773 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -155.9 | -1.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R364 | R364-G366 VanDerWaalsContact C-N 3.28Å; R364-G366 PolarHBondContact O-N 3.49Å |
| 367 | C | 54.5 | Low | 65.9 | Low | 127 Ų | 127 | 104.5 Ų | 104.5 | 86% | 0.858 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -158.1 | 14.9 | -178.7 | -145.1 | 0 | 0 | 0 | 0 | 114.7 | ||
| 368 | S | 49.3 | Very low | 64.5 | Low | 80 Ų | 80 | 110.6 Ų | 110.6 | 56% | 0.559 | 61% | 0.613 | S | S | * | * | trans | -120.2 | 106.5 | -171.5 | -169.8 | 0 | 0 | 0 | 0 | 113.6 | D370 | S368-D370 PolarHBondContact O-N 2.95Š| ||
| 369 | T | 57.7 | Low | 63.3 | Low | 125 Ų | 125 | 112.8 Ų | 112.8 | 77% | 0.767 | 63% | 0.633 | S | S | * | * | trans | -66.8 | 52.7 | 177.2 | -46.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 370 | D | 59.6 | Low | 62.5 | Low | 98 Ų | 98 | 109.7 Ų | 109.7 | 52% | 0.524 | 64% | 0.64 | S | S | . | * | trans | -125.4 | 5.2 | -176.5 | -151.1 | 34.6 | 0 | 0 | 0 | 115.6 | S368 D372 R392 | S368-D370 PolarHBondContact O-N 2.95Å; D370-D372 VanDerWaalsContact C-N 3.33Å; D370-D372 PolarHBondContact O-N 3.3Å; D370-R392 IonicContact OD1-NH2 3.84Å | ||
| 371 | D | 54.2 | Low | 62.2 | Low | 103 Ų | 103 | 115.7 Ų | 115.7 | 55% | 0.551 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -79 | -12 | -178.9 | -154.8 | 29.2 | 0 | 0 | 0 | 114.4 | F365 A373 | F365-D371 HydrophobicContact CE1-CB 4.4Å; F365-D371 HydrophobicContact CZ-CB 3.9Å; D371-A373 PolarHBondContact O-N 3.33Å |
| 372 | D | 59.7 | Low | 61.5 | Low | 117 Ų | 117 | 123.5 Ų | 123.5 | 63% | 0.626 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -72 | -8.6 | 177.6 | -64.3 | -37.1 | 0 | 0 | 0 | 113.2 | D370 | D370-D372 VanDerWaalsContact C-N 3.33Å; D370-D372 PolarHBondContact O-N 3.3Å |
| 373 | A | 57.1 | Low | 61.4 | Low | 70 Ų | 70 | 124.1 Ų | 124.1 | 58% | 0.579 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -82.6 | -17.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | D371 | D371-A373 PolarHBondContact O-N 3.33Š|
| 374 | A | 58.6 | Low | 61.6 | Low | 85 Ų | 85 | 119.5 Ų | 119.5 | 70% | 0.702 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -99.2 | -14.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 375 | S | 57.3 | Low | 61.2 | Low | 89 Ų | 89 | 118.8 Ų | 118.8 | 62% | 0.622 | 66% | 0.66 | S | S | * | * | trans | -107.6 | 4.3 | -170.1 | 77.4 | 0 | 0 | 0 | 0 | 116.5 | L377 | S375-L377 PolarHBondContact O-N 2.73Š| ||
| 376 | E | 59.1 | Low | 62.5 | Low | 107 Ų | 107 | 119.7 Ų | 119.7 | 50% | 0.5 | 67% | 0.667 | S | S | . | * | trans | -74.1 | 13.8 | -175.8 | -75.2 | -176 | 147.4 | 0 | 0 | 116 | K378 R388 | E376-K378 VanDerWaalsContact C-N 3.26Å; E376-K378 PolarHBondContact O-N 3.43Å; E376-R388 WeakPolarHBondContact OE2-CD 3.38Å; E376-R388 IonicContact OE2-CZ 4Å; E376-R388 VanDerWaalsContact OE2-CZ 3.31Å; E376-R388 IonicContact OE2-NE 2.79Å; E376-R388 IonicContact OE2-NH1 3.24Å; E376-R388 PolarHBondContact OE2-NH1 3.05Å | ||
| 377 | L | 57 | Low | 63.6 | Low | 169 Ų | 169 | 118.7 Ų | 118.7 | 89% | 0.885 | 64% | 0.641 | S | S | * | * | trans | -83.3 | 57.7 | 174.4 | -92 | 149.4 | 0 | 0 | 0 | 111.8 | S375 | S375-L377 PolarHBondContact O-N 2.73Š| ||
| 378 | K | 56.2 | Low | 64.6 | Low | 187 Ų | 187 | 117.6 Ų | 117.6 | 81% | 0.813 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -156.1 | 96.2 | 172.4 | -147.5 | 84.4 | 172.4 | -174.4 | 0 | 112.2 | E376 | E376-K378 VanDerWaalsContact C-N 3.26Å; E376-K378 PolarHBondContact O-N 3.43Å |
| 379 | V | 55.3 | Low | 66 | Low | 149 Ų | 149 | 121.1 Ų | 121.1 | 90% | 0.903 | 62% | 0.621 | S | S | * | * | S | Bend | trans | 43.5 | 91.7 | 155.7 | -167.4 | 0 | 0 | 0 | 0 | 116.8 | ||
| 380 | G | 66.4 | Low | 67.4 | Low | 59 Ų | 59 | 118.7 Ų | 118.7 | 61% | 0.608 | 60% | 0.6 | S | S | * | * | S | Bend | trans | 176.5 | 162.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y382 | G380-Y382 PolarHBondContact O-N 3.08Š|
| 381 | R | 76.4 | Confident | 68.5 | Low | 188 Ų | 188 | 119 Ų | 119 | 71% | 0.709 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -52 | 124.1 | 175.1 | 174.3 | 176.2 | 173.9 | -125.6 | -11.1 | 109.8 | W383 E387 | R381-W383 PolarHBondContact O-N 3.28Å; R381-E387 IonicContact NH2-OE1 3.09Å; R381-E387 PolarHBondContact NH2-OE1 2.83Å |
| 382 | Y | 67.5 | Low | 69.7 | Low | 209 Ų | 209 | 120.5 Ų | 120.5 | 82% | 0.82 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 124 | 176.1 | -62.8 | -77.9 | 0 | 0 | 0 | 110.5 | G380 | G380-Y382 PolarHBondContact O-N 3.08Š|
| 383 | W | 75.2 | Confident | 71 | Confident | 114 Ų | 114 | 120 Ų | 120 | 43% | 0.432 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -79 | 124.7 | 158.1 | -63.5 | 102.5 | 0 | 0 | 0 | 108 | R381 E387 R388 | R381-W383 PolarHBondContact O-N 3.28Å; W383-E387 HydrophobicContact CB-CB 4.18Å; W383-E387 HydrophobicContact CD2-CB 4.48Å; W383-E387 HydrophobicContact CE3-CB 3.65Å; W383-E387 HydrophobicContact CE3-CG 4.07Å; W383-E387 HydrophobicContact CZ3-CB 4.43Å; W383-R388 HydrophobicContact CB-CG 3.94Å; W383-R388 PolarHBondContact O-NE 2.93Å; W383-R388 VanDerWaalsContact O-NE 3.1Å; W383-R388 PolarHBondContact O-NH2 2.87Å |
| 384 | S | 81.1 | Confident | 72.4 | Confident | 54 Ų | 54 | 123.6 Ų | 123.6 | 38% | 0.378 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -56.2 | 157.2 | 170.5 | 61.6 | 0 | 0 | 0 | 0 | 110.7 | E386 E387 R388 | S384-E386 PolarHBondContact O-N 3.01Å; S384-E386 VanDerWaalsContact O-N 3.13Å; S384-E387 WeakPolarHBondContact CB-OE2 3.49Å; S384-E387 PolarHBondContact N-OE2 3.05Å; S384-E387 PolarHBondContact O-N 3.44Å; S384-E387 WeakPolarHBondContact OG-CB 3.41Å; S384-E387 WeakPolarHBondContact OG-CG 3.36Å; S384-E387 PolarHBondContact OG-N 2.89Å; S384-E387 VanDerWaalsContact OG-N 3.11Å; S384-E387 PolarHBondContact OG-OE2 2.83Å; S384-R388 PolarHBondContact O-N 3.23Å |
| 385 | K | 71.2 | Confident | 73.8 | Confident | 173 Ų | 173 | 122.6 Ų | 122.6 | 75% | 0.752 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -53.9 | -33.5 | 176.4 | -174.7 | 178.3 | -179.8 | 179.4 | 0 | 111.7 | R389 | K385-R389 PolarHBondContact O-N 3.1Å |
| 386 | E | 80.7 | Confident | 75.3 | Confident | 136 Ų | 136 | 125.1 Ų | 125.1 | 64% | 0.636 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -73.1 | -45.1 | 176 | -173.6 | 155.6 | -136 | 0 | 0 | 112.3 | S384 R388 R389 Q390 | S384-E386 PolarHBondContact O-N 3.01Å; S384-E386 VanDerWaalsContact O-N 3.13Å; E386-R388 VanDerWaalsContact C-N 3.32Å; E386-R388 PolarHBondContact O-N 2.85Å; E386-R389 WeakPolarHBondContact O-CB 3.08Å; E386-R389 PolarHBondContact O-N 3.32Å; E386-R389 VanDerWaalsContact O-N 3.16Å; E386-Q390 WeakPolarHBondContact O-CG 3.48Å; E386-Q390 PolarHBondContact O-N 3.19Å |
| 387 | E | 82.4 | Confident | 76.8 | Confident | 53 Ų | 53 | 124.2 Ų | 124.2 | 25% | 0.248 | 57% | 0.572 | C | S | . | * | H | α-helix | trans | -62.2 | -37.8 | 174.8 | -75.2 | 167.4 | 128.2 | 0 | 0 | 112.5 | R381 W383 S384 R389 Q390 H391 | R381-E387 IonicContact NH2-OE1 3.09Å; R381-E387 PolarHBondContact NH2-OE1 2.83Å; W383-E387 HydrophobicContact CB-CB 4.18Å; W383-E387 HydrophobicContact CD2-CB 4.48Å; W383-E387 HydrophobicContact CE3-CB 3.65Å; W383-E387 HydrophobicContact CE3-CG 4.07Å; W383-E387 HydrophobicContact CZ3-CB 4.43Å; S384-E387 WeakPolarHBondContact CB-OE2 3.49Å; S384-E387 PolarHBondContact N-OE2 3.05Å; S384-E387 PolarHBondContact O-N 3.44Å; S384-E387 WeakPolarHBondContact OG-CB 3.41Å; S384-E387 WeakPolarHBondContact OG-CG 3.36Å; S384-E387 PolarHBondContact OG-N 2.89Å; S384-E387 VanDerWaalsContact OG-N 3.11Å; S384-E387 PolarHBondContact OG-OE2 2.83Å; E387-R389 VanDerWaalsContact C-N 3.34Å; E387-Q390 PolarHBondContact O-N 3.4Å; E387-H391 WeakPolarHBondContact O-CB 3.14Å; E387-H391 PolarHBondContact O-N 3.09Å |
| 388 | R | 75.6 | Confident | 78.4 | Confident | 105 Ų | 105 | 125.2 Ų | 125.2 | 40% | 0.396 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62 | -42.2 | 173.7 | -96.4 | 176.4 | -80.9 | 172.2 | -5.3 | 111.9 | E376 W383 S384 E386 H391 R392 | E376-R388 WeakPolarHBondContact OE2-CD 3.38Å; E376-R388 IonicContact OE2-CZ 4Å; E376-R388 VanDerWaalsContact OE2-CZ 3.31Å; E376-R388 IonicContact OE2-NE 2.79Å; E376-R388 IonicContact OE2-NH1 3.24Å; E376-R388 PolarHBondContact OE2-NH1 3.05Å; W383-R388 HydrophobicContact CB-CG 3.94Å; W383-R388 PolarHBondContact O-NE 2.93Å; W383-R388 VanDerWaalsContact O-NE 3.1Å; W383-R388 PolarHBondContact O-NH2 2.87Å; S384-R388 PolarHBondContact O-N 3.23Å; E386-R388 VanDerWaalsContact C-N 3.32Å; E386-R388 PolarHBondContact O-N 2.85Å; R388-H391 PolarHBondContact O-N 2.85Å; R388-R392 WeakPolarHBondContact O-CB 3.48Å; R388-R392 PolarHBondContact O-N 2.79Å |
| 389 | R | 78.6 | Confident | 79.9 | Confident | 154 Ų | 154 | 123.5 Ų | 123.5 | 58% | 0.581 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.8 | -47.3 | 173 | -175.8 | -177.4 | -66.3 | -157.3 | -2.7 | 111 | K385 E386 E387 H391 R392 E393 | K385-R389 PolarHBondContact O-N 3.1Å; E386-R389 WeakPolarHBondContact O-CB 3.08Å; E386-R389 PolarHBondContact O-N 3.32Å; E386-R389 VanDerWaalsContact O-N 3.16Å; E387-R389 VanDerWaalsContact C-N 3.34Å; R389-H391 VanDerWaalsContact C-N 3.33Å; R389-H391 PolarHBondContact O-N 2.96Å; R389-R392 WeakPolarHBondContact O-CB 3.4Å; R389-R392 PolarHBondContact O-N 3.24Å; R389-E393 WeakPolarHBondContact O-CG 3.39Å; R389-E393 PolarHBondContact O-N 3.08Å |
| 390 | Q | 85.5 | Confident | 81.6 | Confident | 74 Ų | 74 | 123.4 Ų | 123.4 | 35% | 0.346 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.5 | -39.3 | 177.2 | -72.5 | -174.6 | 21.9 | 0 | 0 | 112.3 | E386 E387 E393 R394 | E386-Q390 WeakPolarHBondContact O-CG 3.48Å; E386-Q390 PolarHBondContact O-N 3.19Å; E387-Q390 PolarHBondContact O-N 3.4Å; Q390-E393 PolarHBondContact O-N 3.45Å; Q390-R394 WeakPolarHBondContact O-CB 3.47Å; Q390-R394 VanDerWaalsContact O-CG 3.28Å; Q390-R394 WeakPolarHBondContact O-CG 3.28Å; Q390-R394 PolarHBondContact O-N 3.39Å |
| 391 | H | 82.8 | Confident | 82.8 | Confident | 104 Ų | 104 | 128.2 Ų | 128.2 | 48% | 0.481 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 177.2 | -168.2 | 75.7 | 0 | 0 | 0 | 111 | E387 R388 R389 E393 R394 C395 | E387-H391 WeakPolarHBondContact O-CB 3.14Å; E387-H391 PolarHBondContact O-N 3.09Å; R388-H391 PolarHBondContact O-N 2.85Å; R389-H391 VanDerWaalsContact C-N 3.33Å; R389-H391 PolarHBondContact O-N 2.96Å; H391-E393 VanDerWaalsContact C-N 3.31Å; H391-E393 PolarHBondContact O-N 3.36Å; H391-R394 PolarHBondContact O-N 2.9Å; H391-C395 WeakPolarHBondContact O-CB 3.31Å; H391-C395 PolarHBondContact O-N 3.46Å; H391-C395 PolarHBondContact O-SG 3.44Å |
| 392 | R | 80.9 | Confident | 83.4 | Confident | 134 Ų | 134 | 125.5 Ų | 125.5 | 51% | 0.506 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.6 | -41.6 | 173.8 | -170.4 | -176.7 | -69.7 | -175.3 | -8.3 | 111.6 | D370 R388 R389 K396 | D370-R392 IonicContact OD1-NH2 3.84Å; R388-R392 WeakPolarHBondContact O-CB 3.48Å; R388-R392 PolarHBondContact O-N 2.79Å; R389-R392 WeakPolarHBondContact O-CB 3.4Å; R389-R392 PolarHBondContact O-N 3.24Å; R392-K396 WeakPolarHBondContact O-CG 3.48Å; R392-K396 PolarHBondContact O-N 2.93Å |
| 393 | E | 86.9 | Confident | 84.5 | Confident | 107 Ų | 107 | 121.7 Ų | 121.7 | 50% | 0.5 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.7 | -45.9 | 176.3 | -74.8 | 172.8 | 175.8 | 0 | 0 | 112.3 | R389 Q390 H391 C395 K396 E397 | R389-E393 WeakPolarHBondContact O-CG 3.39Å; R389-E393 PolarHBondContact O-N 3.08Å; Q390-E393 PolarHBondContact O-N 3.45Å; H391-E393 VanDerWaalsContact C-N 3.31Å; H391-E393 PolarHBondContact O-N 3.36Å; E393-C395 VanDerWaalsContact C-N 3.32Å; E393-C395 PolarHBondContact O-N 3.23Å; E393-K396 CarbonylContact O-C 3.6Å; E393-K396 WeakPolarHBondContact O-CB 3.41Å; E393-K396 PolarHBondContact O-N 2.84Å; E393-E397 WeakPolarHBondContact O-CB 3.35Å; E393-E397 PolarHBondContact O-N 2.78Å |
| 394 | R | 86.7 | Confident | 85.1 | Confident | 146 Ų | 146 | 120.7 Ų | 120.7 | 55% | 0.551 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.9 | -38.5 | 174.7 | -71.5 | 177.6 | -159.8 | 169.8 | 8.5 | 112.1 | Q390 H391 E397 R398 | Q390-R394 WeakPolarHBondContact O-CB 3.47Å; Q390-R394 VanDerWaalsContact O-CG 3.28Å; Q390-R394 WeakPolarHBondContact O-CG 3.28Å; Q390-R394 PolarHBondContact O-N 3.39Å; H391-R394 PolarHBondContact O-N 2.9Å; R394-E397 PolarHBondContact O-N 2.89Å; R394-R398 WeakPolarHBondContact O-CB 3.44Å; R394-R398 PolarHBondContact O-N 3Å |
| 395 | C | 86.3 | Confident | 85.5 | Confident | 63 Ų | 63 | 123.8 Ų | 123.8 | 43% | 0.426 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 174.1 | -77.1 | 0 | 0 | 0 | 0 | 111.9 | H391 E393 E397 R398 K399 | H391-C395 WeakPolarHBondContact O-CB 3.31Å; H391-C395 PolarHBondContact O-N 3.46Å; H391-C395 PolarHBondContact O-SG 3.44Å; E393-C395 VanDerWaalsContact C-N 3.32Å; E393-C395 PolarHBondContact O-N 3.23Å; C395-E397 VanDerWaalsContact C-N 3.34Å; C395-R398 PolarHBondContact O-N 3.08Å; C395-K399 PolarHBondContact O-N 3.17Å |
| 396 | K | 89.1 | Confident | 86.1 | Confident | 142 Ų | 142 | 121.2 Ų | 121.2 | 62% | 0.617 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.4 | -41.5 | 172.6 | -74.9 | 178.1 | 179 | -173.9 | 0 | 111.8 | R392 E393 K399 K400 | R392-K396 WeakPolarHBondContact O-CG 3.48Å; R392-K396 PolarHBondContact O-N 2.93Å; E393-K396 CarbonylContact O-C 3.6Å; E393-K396 WeakPolarHBondContact O-CB 3.41Å; E393-K396 PolarHBondContact O-N 2.84Å; K396-K399 PolarHBondContact O-N 3.43Å; K396-K400 WeakPolarHBondContact O-CB 3.3Å; K396-K400 PolarHBondContact O-N 2.98Å |
| 397 | E | 91.6 | Very high | 86.3 | Confident | 89 Ų | 89 | 122.6 Ų | 122.6 | 42% | 0.416 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 177.7 | -172.1 | -176.1 | -176.7 | 0 | 0 | 111.6 | E393 R394 C395 K399 K400 R401 | E393-E397 WeakPolarHBondContact O-CB 3.35Å; E393-E397 PolarHBondContact O-N 2.78Å; R394-E397 PolarHBondContact O-N 2.89Å; C395-E397 VanDerWaalsContact C-N 3.34Å; E397-K399 VanDerWaalsContact C-N 3.32Å; E397-K399 PolarHBondContact O-N 3.23Å; E397-K400 PolarHBondContact O-N 3.14Å; E397-R401 WeakPolarHBondContact O-CB 3.47Å; E397-R401 WeakPolarHBondContact O-CG 3.15Å; E397-R401 PolarHBondContact O-N 3.14Å; E397-R401 IonicContact OE1-CZ 2.66Å; E397-R401 VanDerWaalsContact OE1-CZ 3.3Å; E397-R401 IonicContact OE1-NE 3.47Å; E397-R401 PolarHBondContact OE1-NE 2.81Å; E397-R401 IonicContact OE1-NH2 2.67Å; E397-R401 PolarHBondContact OE1-NH2 3.42Å |
| 398 | R | 90.3 | Very high | 86.3 | Confident | 189 Ų | 189 | 128 Ų | 128 | 71% | 0.713 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -58.9 | -44.4 | 174.6 | -179.2 | 179.5 | 165.9 | -159.9 | -3.9 | 111.3 | R394 C395 R401 Q402 | R394-R398 WeakPolarHBondContact O-CB 3.44Å; R394-R398 PolarHBondContact O-N 3Å; C395-R398 PolarHBondContact O-N 3.08Å; R398-R401 PolarHBondContact O-N 3.47Å; R398-Q402 WeakPolarHBondContact O-CB 3.49Å; R398-Q402 PolarHBondContact O-N 3.34Å |
| 399 | K | 87.6 | Confident | 86.6 | Confident | 151 Ų | 151 | 130.2 Ų | 130.2 | 66% | 0.657 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.7 | -46.5 | 175.7 | -172 | 176.2 | 178.7 | 177.6 | 0 | 111.4 | C395 K396 E397 R401 Q402 E403 | C395-K399 PolarHBondContact O-N 3.17Å; K396-K399 PolarHBondContact O-N 3.43Å; E397-K399 VanDerWaalsContact C-N 3.32Å; E397-K399 PolarHBondContact O-N 3.23Å; K399-R401 PolarHBondContact O-N 3.29Å; K399-Q402 WeakPolarHBondContact O-CB 3.33Å; K399-Q402 PolarHBondContact O-N 2.97Å; K399-E403 WeakPolarHBondContact O-CB 3.26Å; K399-E403 PolarHBondContact O-N 3.04Å |
| 400 | K | 90.8 | Very high | 86.5 | Confident | 148 Ų | 148 | 126.8 Ų | 126.8 | 64% | 0.643 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -59.5 | -43.6 | 176.2 | -174.3 | -179.1 | 178.3 | -177 | 0 | 112.1 | K396 E397 E403 E404 | K396-K400 WeakPolarHBondContact O-CB 3.3Å; K396-K400 PolarHBondContact O-N 2.98Å; E397-K400 PolarHBondContact O-N 3.14Å; K400-E403 PolarHBondContact O-N 3.28Å; K400-E404 WeakPolarHBondContact O-CB 3.45Å; K400-E404 PolarHBondContact O-N 3.33Å |
| 401 | R | 91.2 | Very high | 85.8 | Confident | 159 Ų | 159 | 128.9 Ų | 128.9 | 60% | 0.6 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.8 | -40.2 | 175.7 | -73.7 | -179.3 | -171.9 | -172.6 | 2.1 | 111.9 | E397 R398 K399 L405 | E397-R401 WeakPolarHBondContact O-CB 3.47Å; E397-R401 WeakPolarHBondContact O-CG 3.15Å; E397-R401 PolarHBondContact O-N 3.14Å; E397-R401 IonicContact OE1-CZ 2.66Å; E397-R401 VanDerWaalsContact OE1-CZ 3.3Å; E397-R401 IonicContact OE1-NE 3.47Å; E397-R401 PolarHBondContact OE1-NE 2.81Å; E397-R401 IonicContact OE1-NH2 2.67Å; E397-R401 PolarHBondContact OE1-NH2 3.42Å; R398-R401 PolarHBondContact O-N 3.47Å; K399-R401 PolarHBondContact O-N 3.29Å; R401-L405 WeakPolarHBondContact O-CB 3.28Å; R401-L405 PolarHBondContact O-N 3.49Å |
| 402 | Q | 90.1 | Very high | 84.9 | Confident | 131 Ų | 131 | 133.2 Ų | 133.2 | 61% | 0.612 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.3 | -42.4 | 176.3 | -174.8 | 177.9 | 1.4 | 0 | 0 | 111.5 | R398 K399 L405 L406 | R398-Q402 WeakPolarHBondContact O-CB 3.49Å; R398-Q402 PolarHBondContact O-N 3.34Å; K399-Q402 WeakPolarHBondContact O-CB 3.33Å; K399-Q402 PolarHBondContact O-N 2.97Å; Q402-L405 PolarHBondContact O-N 3.19Å; Q402-L406 PolarHBondContact O-N 3.07Å |
| 403 | E | 89.6 | Confident | 84.1 | Confident | 129 Ų | 129 | 135.7 Ų | 135.7 | 60% | 0.603 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.4 | -43.8 | 175.7 | -174.3 | -179.8 | 176.6 | 0 | 0 | 111.9 | K399 K400 L405 L406 R407 | K399-E403 WeakPolarHBondContact O-CB 3.26Å; K399-E403 PolarHBondContact O-N 3.04Å; K400-E403 PolarHBondContact O-N 3.28Å; E403-L405 VanDerWaalsContact C-N 3.34Å; E403-L405 PolarHBondContact O-N 2.97Å; E403-L406 WeakPolarHBondContact O-CB 3.19Å; E403-L406 PolarHBondContact O-N 3.47Å; E403-R407 WeakPolarHBondContact O-CB 3.36Å; E403-R407 PolarHBondContact O-N 2.98Å |
| 404 | E | 89.2 | Confident | 82.8 | Confident | 93 Ų | 93 | 136.4 Ų | 136.4 | 44% | 0.435 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -62.2 | -40.5 | 175.1 | -173.6 | -178.3 | 170.2 | 0 | 0 | 111.9 | K400 R407 R408 | K400-E404 WeakPolarHBondContact O-CB 3.45Å; K400-E404 PolarHBondContact O-N 3.33Å; E404-R407 PolarHBondContact O-N 3.36Å; E404-R408 WeakPolarHBondContact O-CB 3.37Å; E404-R408 WeakPolarHBondContact O-CG 3.21Å; E404-R408 PolarHBondContact O-N 3.48Å; E404-R408 IonicContact OE1-CZ 3.3Å; E404-R408 IonicContact OE1-NE 2.66Å; E404-R408 IonicContact OE1-NH2 2.88Å |
| 405 | L | 87.8 | Confident | 81.7 | Confident | 119 Ų | 119 | 132.9 Ų | 132.9 | 62% | 0.623 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63 | -43 | 174.7 | -170.8 | 156 | 0 | 0 | 0 | 111.1 | R401 Q402 E403 R408 K409 | R401-L405 WeakPolarHBondContact O-CB 3.28Å; R401-L405 PolarHBondContact O-N 3.49Å; Q402-L405 PolarHBondContact O-N 3.19Å; E403-L405 VanDerWaalsContact C-N 3.34Å; E403-L405 PolarHBondContact O-N 2.97Å; L405-R408 PolarHBondContact O-N 3.45Å; L405-K409 WeakPolarHBondContact O-CB 3.37Å; L405-K409 PolarHBondContact O-N 3.2Å |
| 406 | L | 84.6 | Confident | 80.8 | Confident | 120 Ų | 120 | 134.4 Ų | 134.4 | 63% | 0.628 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -62.6 | -44.2 | 176.4 | -162.2 | 90.5 | 0 | 0 | 0 | 111.1 | Q402 E403 K409 A410 | Q402-L406 PolarHBondContact O-N 3.07Å; E403-L406 WeakPolarHBondContact O-CB 3.19Å; E403-L406 PolarHBondContact O-N 3.47Å; L406-K409 WeakPolarHBondContact O-CB 3.34Å; L406-K409 PolarHBondContact O-N 3.39Å; L406-A410 PolarHBondContact O-N 3.03Å |
| 407 | R | 84.5 | Confident | 80.1 | Confident | 164 Ų | 164 | 135.2 Ų | 135.2 | 62% | 0.619 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.8 | -47.7 | 176.7 | -177 | -179 | 162.8 | -167.9 | -5.9 | 111.7 | E403 E404 K409 A410 E411 | E403-R407 WeakPolarHBondContact O-CB 3.36Å; E403-R407 PolarHBondContact O-N 2.98Å; E404-R407 PolarHBondContact O-N 3.36Å; R407-K409 PolarHBondContact O-N 2.96Å; R407-A410 PolarHBondContact O-N 3.24Å; R407-A410 VanDerWaalsContact O-N 3.08Å; R407-E411 HydrophobicContact CG-CG 4.49Å; R407-E411 IonicContact CZ-OE1 3.82Å; R407-E411 IonicContact NE-OE1 3.5Å; R407-E411 PolarHBondContact NE-OE1 2.86Å; R407-E411 IonicContact NH2-OE1 2.64Å; R407-E411 PolarHBondContact NH2-OE1 2.93Å; R407-E411 WeakPolarHBondContact O-CG 3.38Å; R407-E411 PolarHBondContact O-N 3.48Å |
| 408 | R | 83.8 | Confident | 79.4 | Confident | 168 Ų | 168 | 138.2 Ų | 138.2 | 63% | 0.634 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -58.9 | -36.4 | 173.4 | -80.8 | -173.8 | 171.4 | -174.7 | -0.2 | 112.2 | E404 L405 R412 | E404-R408 WeakPolarHBondContact O-CB 3.37Å; E404-R408 WeakPolarHBondContact O-CG 3.21Å; E404-R408 PolarHBondContact O-N 3.48Å; E404-R408 IonicContact OE1-CZ 3.3Å; E404-R408 IonicContact OE1-NE 2.66Å; E404-R408 IonicContact OE1-NH2 2.88Å; L405-R408 PolarHBondContact O-N 3.45Å; R408-R412 WeakPolarHBondContact O-CG 3.29Å; R408-R412 PolarHBondContact O-N 2.96Å |
| 409 | K | 80.1 | Confident | 78.8 | Confident | 150 Ų | 150 | 133.4 Ų | 133.4 | 65% | 0.652 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.5 | -36.5 | 176.2 | -170.7 | -178.3 | 176.7 | -171.4 | 0 | 111.7 | L405 L406 R407 | L405-K409 WeakPolarHBondContact O-CB 3.37Å; L405-K409 PolarHBondContact O-N 3.2Å; L406-K409 WeakPolarHBondContact O-CB 3.34Å; L406-K409 PolarHBondContact O-N 3.39Å; R407-K409 PolarHBondContact O-N 2.96Å |
| 410 | A | 77 | Confident | 78.6 | Confident | 82 Ų | 82 | 130.5 Ų | 130.5 | 68% | 0.678 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -73.6 | -33.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L406 R407 R412 | L406-A410 PolarHBondContact O-N 3.03Å; R407-A410 PolarHBondContact O-N 3.24Å; R407-A410 VanDerWaalsContact O-N 3.08Å; A410-R412 VanDerWaalsContact C-N 3.26Å; A410-R412 PolarHBondContact O-N 2.84Å |
| 411 | E | 71.3 | Confident | 78.3 | Confident | 119 Ų | 119 | 129.1 Ų | 129.1 | 56% | 0.556 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -75.2 | -10.9 | 176.5 | -71.3 | 173.7 | -179.5 | 0 | 0 | 113.3 | R407 K413 | R407-E411 HydrophobicContact CG-CG 4.49Å; R407-E411 IonicContact CZ-OE1 3.82Å; R407-E411 IonicContact NE-OE1 3.5Å; R407-E411 PolarHBondContact NE-OE1 2.86Å; R407-E411 IonicContact NH2-OE1 2.64Å; R407-E411 PolarHBondContact NH2-OE1 2.93Å; R407-E411 WeakPolarHBondContact O-CG 3.38Å; R407-E411 PolarHBondContact O-N 3.48Å; E411-K413 PolarHBondContact O-N 2.94Å |
| 412 | R | 64.6 | Low | 78.1 | Confident | 195 Ų | 195 | 128.4 Ų | 128.4 | 74% | 0.736 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -68.7 | 120 | 169.8 | -73.1 | 177 | 84.3 | 147.3 | 6.3 | 108.3 | R408 A410 | R408-R412 WeakPolarHBondContact O-CG 3.29Å; R408-R412 PolarHBondContact O-N 2.96Å; A410-R412 VanDerWaalsContact C-N 3.26Å; A410-R412 PolarHBondContact O-N 2.84Å |
| 413 | K | 62.2 | Low | 77.9 | Confident | 185 Ų | 185 | 125.4 Ų | 125.4 | 80% | 0.804 | 61% | 0.605 | S | S | * | * | trans | -39.2 | 139.5 | 174.6 | -65.1 | 179.4 | -179.7 | -179.1 | 0 | 110.7 | E411 L415 | E411-K413 PolarHBondContact O-N 2.94Å; K413-L415 PolarHBondContact O-N 3.45Å; K413-L415 VanDerWaalsContact O-N 3.08Å | ||
| 414 | P | 60.6 | Low | 77.8 | Confident | 123 Ų | 123 | 122 Ų | 122 | 80% | 0.799 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 124 | 177 | 22.9 | -32.8 | 0 | 0 | 0 | 108.2 | T416 | P414-T416 PolarHBondContact O-N 2.89Š|
| 415 | L | 64 | Low | 77.7 | Confident | 72 Ų | 72 | 124.3 Ų | 124.3 | 38% | 0.377 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -54.7 | 126 | 178.5 | -64.4 | 163.2 | 0 | 0 | 0 | 106.9 | K413 Q419 I420 L423 | K413-L415 PolarHBondContact O-N 3.45Å; K413-L415 VanDerWaalsContact O-N 3.08Å; L415-Q419 HydrophobicContact CB-CB 4.26Å; L415-Q419 HydrophobicContact CB-CG 4.45Å; L415-Q419 HydrophobicContact CD2-CG 3.91Å; L415-I420 HydrophobicContact CB-CD1 4.41Å; L415-I420 HydrophobicContact CB-CG1 3.74Å; L415-I420 WeakPolarHBondContact O-CD1 3.44Å; L415-L423 HydrophobicContact CD1-CD1 3.72Å; L415-L423 HydrophobicContact CD2-CD1 4.4Å |
| 416 | T | 67.6 | Low | 77.6 | Confident | 95 Ų | 95 | 123.7 Ų | 123.7 | 58% | 0.583 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 144.3 | 173.8 | -48.6 | 0 | 0 | 0 | 0 | 108.8 | P414 Q418 Q419 I420 | P414-T416 PolarHBondContact O-N 2.89Å; T416-Q418 PolarHBondContact O-N 2.88Å; T416-Q419 WeakPolarHBondContact O-CA 3.45Å; T416-Q419 VanDerWaalsContact O-CB 3.3Å; T416-Q419 WeakPolarHBondContact O-CB 3.5Å; T416-Q419 PolarHBondContact O-N 2.84Å; T416-I420 PolarHBondContact O-N 3.04Å; T416-I420 VanDerWaalsContact O-N 3.14Å |
| 417 | E | 72.8 | Confident | 77.8 | Confident | 159 Ų | 159 | 124.7 Ų | 124.7 | 74% | 0.743 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -48.9 | -38.9 | -177 | -67.2 | -178.9 | 163 | 0 | 0 | 112.9 | Q419 I420 L421 | E417-Q419 VanDerWaalsContact C-N 3.31Å; E417-Q419 PolarHBondContact O-N 2.83Å; E417-I420 PolarHBondContact O-N 3.26Å; E417-I420 VanDerWaalsContact O-N 3.17Å; E417-L421 WeakPolarHBondContact O-CG 3.43Å; E417-L421 PolarHBondContact O-N 3.4Å |
| 418 | Q | 77.8 | Confident | 77.7 | Confident | 151 Ų | 151 | 122.2 Ų | 122.2 | 71% | 0.706 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -58 | -39 | 173.8 | -67.7 | -175.6 | -26.7 | 0 | 0 | 113.3 | T416 Q422 | T416-Q418 PolarHBondContact O-N 2.88Å; Q418-Q422 WeakPolarHBondContact O-CG 3.43Å; Q418-Q422 PolarHBondContact O-N 3.01Å |
| 419 | Q | 78.6 | Confident | 77.4 | Confident | 88 Ų | 88 | 118.2 Ų | 118.2 | 41% | 0.411 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -73.6 | -33.4 | 178.3 | -165.1 | 169.2 | 26.9 | 0 | 0 | 111.7 | L415 T416 E417 L423 | L415-Q419 HydrophobicContact CB-CB 4.26Å; L415-Q419 HydrophobicContact CB-CG 4.45Å; L415-Q419 HydrophobicContact CD2-CG 3.91Å; T416-Q419 WeakPolarHBondContact O-CA 3.45Å; T416-Q419 VanDerWaalsContact O-CB 3.3Å; T416-Q419 WeakPolarHBondContact O-CB 3.5Å; T416-Q419 PolarHBondContact O-N 2.84Å; E417-Q419 VanDerWaalsContact C-N 3.31Å; E417-Q419 PolarHBondContact O-N 2.83Å; Q419-L423 HydrophobicContact CG-CD1 4.28Å; Q419-L423 WeakPolarHBondContact O-CB 3.31Å; Q419-L423 WeakPolarHBondContact O-CD1 3.4Å; Q419-L423 WeakPolarHBondContact O-CG 3.4Å; Q419-L423 PolarHBondContact O-N 2.97Å |
| 420 | I | 82 | Confident | 77.3 | Confident | 91 Ų | 91 | 119.5 Ų | 119.5 | 47% | 0.467 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.2 | -46.1 | 172.9 | -60.7 | 174.6 | 0 | 0 | 0 | 110 | L415 T416 E417 L423 S424 | L415-I420 HydrophobicContact CB-CD1 4.41Å; L415-I420 HydrophobicContact CB-CG1 3.74Å; L415-I420 WeakPolarHBondContact O-CD1 3.44Å; T416-I420 PolarHBondContact O-N 3.04Å; T416-I420 VanDerWaalsContact O-N 3.14Å; E417-I420 PolarHBondContact O-N 3.26Å; E417-I420 VanDerWaalsContact O-N 3.17Å; I420-L423 PolarHBondContact O-N 3.44Å; I420-S424 WeakPolarHBondContact O-CB 3.49Å; I420-S424 PolarHBondContact O-N 3.36Å; I420-S424 PolarHBondContact O-OG 2.96Å |
| 421 | L | 85.5 | Confident | 77.1 | Confident | 119 Ų | 119 | 123.7 Ų | 123.7 | 62% | 0.623 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.7 | -43.3 | 176.8 | -70 | 172.5 | 0 | 0 | 0 | 112.2 | E417 L423 S424 Y425 | E417-L421 WeakPolarHBondContact O-CG 3.43Å; E417-L421 PolarHBondContact O-N 3.4Å; L421-L423 PolarHBondContact O-N 3.32Å; L421-S424 WeakPolarHBondContact CA-OG 3.36Å; L421-S424 PolarHBondContact O-N 3.27Å; L421-S424 PolarHBondContact O-OG 3.48Å; L421-Y425 PolarHBondContact O-N 2.81Å |
| 422 | Q | 87 | Confident | 76.9 | Confident | 143 Ų | 143 | 122.1 Ų | 122.1 | 67% | 0.668 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.4 | -41.7 | 174.8 | -76.4 | -179.2 | -11 | 0 | 0 | 112.4 | Q418 K426 | Q418-Q422 WeakPolarHBondContact O-CG 3.43Å; Q418-Q422 PolarHBondContact O-N 3.01Å; Q422-K426 WeakPolarHBondContact O-CB 3.4Å; Q422-K426 PolarHBondContact O-N 2.94Å |
| 423 | L | 86.3 | Confident | 76.9 | Confident | 68 Ų | 68 | 115.2 Ų | 115.2 | 36% | 0.356 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -70.5 | -35.1 | 178.2 | -72 | 171.5 | 0 | 0 | 0 | 112.4 | L415 Q419 I420 L421 K426 K427 | L415-L423 HydrophobicContact CD1-CD1 3.72Å; L415-L423 HydrophobicContact CD2-CD1 4.4Å; Q419-L423 HydrophobicContact CG-CD1 4.28Å; Q419-L423 WeakPolarHBondContact O-CB 3.31Å; Q419-L423 WeakPolarHBondContact O-CD1 3.4Å; Q419-L423 WeakPolarHBondContact O-CG 3.4Å; Q419-L423 PolarHBondContact O-N 2.97Å; I420-L423 PolarHBondContact O-N 3.44Å; L421-L423 PolarHBondContact O-N 3.32Å; L423-K426 PolarHBondContact O-N 3.48Å; L423-K427 VanDerWaalsContact O-CB 3.32Å; L423-K427 WeakPolarHBondContact O-CB 3.36Å; L423-K427 PolarHBondContact O-N 3.48Å |
| 424 | S | 86.4 | Confident | 77.1 | Confident | 58 Ų | 58 | 113.1 Ų | 113.1 | 41% | 0.406 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.3 | -44.7 | 176.3 | 73.5 | 0 | 0 | 0 | 0 | 110.8 | I420 L421 K426 K427 M428 | I420-S424 WeakPolarHBondContact O-CB 3.49Å; I420-S424 PolarHBondContact O-N 3.36Å; I420-S424 PolarHBondContact O-OG 2.96Å; L421-S424 WeakPolarHBondContact CA-OG 3.36Å; L421-S424 PolarHBondContact O-N 3.27Å; L421-S424 PolarHBondContact O-OG 3.48Å; S424-K426 PolarHBondContact O-N 2.9Å; S424-K427 PolarHBondContact O-N 2.92Å; S424-M428 WeakPolarHBondContact O-CB 3.46Å; S424-M428 PolarHBondContact O-N 2.91Å |
| 425 | Y | 87 | Confident | 77.3 | Confident | 142 Ų | 142 | 113.2 Ų | 113.2 | 56% | 0.557 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -58.9 | -46.4 | 172.9 | -177.4 | -102.6 | 0 | 0 | 0 | 111.7 | L421 K427 M428 L429 | L421-Y425 PolarHBondContact O-N 2.81Å; Y425-K427 VanDerWaalsContact C-N 3.34Å; Y425-K427 PolarHBondContact O-N 3.4Å; Y425-M428 WeakPolarHBondContact O-CB 3.46Å; Y425-M428 PolarHBondContact O-N 2.95Å; Y425-L429 HydrophobicContact CD1-CD1 4.49Å; Y425-L429 HydrophobicContact CE1-CD1 3.95Å; Y425-L429 HydrophobicContact CE1-CD2 4.35Å; Y425-L429 HydrophobicContact CE2-CD1 3.99Å; Y425-L429 PolarHBondContact O-N 3.03Å |
| 426 | K | 86.3 | Confident | 77.3 | Confident | 106 Ų | 106 | 111.6 Ų | 111.6 | 46% | 0.461 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.1 | -38.5 | 175.7 | -169.4 | 178.1 | 72.3 | -179.5 | 0 | 112.8 | Q422 L423 S424 R430 | Q422-K426 WeakPolarHBondContact O-CB 3.4Å; Q422-K426 PolarHBondContact O-N 2.94Å; L423-K426 PolarHBondContact O-N 3.48Å; S424-K426 PolarHBondContact O-N 2.9Å; K426-R430 WeakPolarHBondContact O-CG 3.17Å; K426-R430 PolarHBondContact O-N 3.48Å |
| 427 | K | 87.9 | Confident | 77.1 | Confident | 140 Ų | 140 | 112 Ų | 112 | 61% | 0.609 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.6 | -38.6 | 177 | -172.9 | -179.3 | 179.5 | -174.5 | 0 | 111.2 | L423 S424 Y425 R430 R431 | L423-K427 VanDerWaalsContact O-CB 3.32Å; L423-K427 WeakPolarHBondContact O-CB 3.36Å; L423-K427 PolarHBondContact O-N 3.48Å; S424-K427 PolarHBondContact O-N 2.92Å; Y425-K427 VanDerWaalsContact C-N 3.34Å; Y425-K427 PolarHBondContact O-N 3.4Å; K427-R430 PolarHBondContact O-N 3.06Å; K427-R431 PolarHBondContact O-N 3.31Å |
| 428 | M | 82.3 | Confident | 76.8 | Confident | 113 Ų | 113 | 110.7 Ų | 110.7 | 56% | 0.557 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60 | -49.1 | 174.7 | -171.2 | -159.6 | -54.5 | 0 | 0 | 110.8 | S424 Y425 R430 R431 Q432 | S424-M428 WeakPolarHBondContact O-CB 3.46Å; S424-M428 PolarHBondContact O-N 2.91Å; Y425-M428 WeakPolarHBondContact O-CB 3.46Å; Y425-M428 PolarHBondContact O-N 2.95Å; M428-R430 VanDerWaalsContact C-N 3.31Å; M428-R430 PolarHBondContact O-N 3.36Å; M428-R431 PolarHBondContact O-N 2.9Å; M428-Q432 PolarHBondContact O-N 3.03Å |
| 429 | L | 78.2 | Confident | 76.4 | Confident | 84 Ų | 84 | 110.5 Ų | 110.5 | 44% | 0.44 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.5 | -40 | 176.5 | -109.1 | 69.4 | 0 | 0 | 0 | 112.8 | Y425 Q432 G433 | Y425-L429 HydrophobicContact CD1-CD1 4.49Å; Y425-L429 HydrophobicContact CE1-CD1 3.95Å; Y425-L429 HydrophobicContact CE1-CD2 4.35Å; Y425-L429 HydrophobicContact CE2-CD1 3.99Å; Y425-L429 PolarHBondContact O-N 3.03Å; L429-Q432 PolarHBondContact O-N 3.35Å; L429-G433 PolarHBondContact O-N 3.44Å; L429-G433 VanDerWaalsContact O-N 3.09Å |
| 430 | R | 78.5 | Confident | 76.1 | Confident | 176 Ų | 176 | 116 Ų | 116 | 66% | 0.664 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.7 | -43 | 177.2 | -73 | -179.6 | 179.1 | -147.8 | -3.4 | 112.5 | K426 K427 M428 Q432 G433 Q434 | K426-R430 WeakPolarHBondContact O-CG 3.17Å; K426-R430 PolarHBondContact O-N 3.48Å; K427-R430 PolarHBondContact O-N 3.06Å; M428-R430 VanDerWaalsContact C-N 3.31Å; M428-R430 PolarHBondContact O-N 3.36Å; R430-Q432 VanDerWaalsContact C-N 3.28Å; R430-Q432 PolarHBondContact O-N 3.3Å; R430-G433 PolarHBondContact O-N 2.9Å; R430-Q434 WeakPolarHBondContact O-CB 3.29Å; R430-Q434 PolarHBondContact O-N 2.99Å |
| 431 | R | 72.4 | Confident | 75.8 | Confident | 170 Ų | 170 | 113.9 Ų | 113.9 | 64% | 0.642 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.8 | -38.4 | 175.6 | -80.4 | -169.7 | 144.2 | -162.7 | -7.3 | 111.6 | K427 M428 G433 Q434 Q435 | K427-R431 PolarHBondContact O-N 3.31Å; M428-R431 PolarHBondContact O-N 2.9Å; R431-G433 VanDerWaalsContact C-N 3.33Å; R431-G433 PolarHBondContact O-N 3.27Å; R431-Q434 PolarHBondContact O-N 3.43Å; R431-Q435 PolarHBondContact O-N 3.49Å |
| 432 | Q | 67.4 | Low | 75.4 | Confident | 87 Ų | 87 | 111.2 Ų | 111.2 | 41% | 0.407 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.1 | -37.3 | 176.4 | -165.7 | 176.8 | 6.6 | 0 | 0 | 112.2 | M428 L429 R430 | M428-Q432 PolarHBondContact O-N 3.03Å; L429-Q432 PolarHBondContact O-N 3.35Å; R430-Q432 VanDerWaalsContact C-N 3.28Å; R430-Q432 PolarHBondContact O-N 3.3Å |
| 433 | G | 64.6 | Low | 74.8 | Confident | 49 Ų | 49 | 110.2 Ų | 110.2 | 51% | 0.505 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -75.3 | -28.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L429 R430 R431 L436 | L429-G433 PolarHBondContact O-N 3.44Å; L429-G433 VanDerWaalsContact O-N 3.09Å; R430-G433 PolarHBondContact O-N 2.9Å; R431-G433 VanDerWaalsContact C-N 3.33Å; R431-G433 PolarHBondContact O-N 3.27Å; G433-L436 WeakPolarHBondContact O-CB 3.3Å; G433-L436 PolarHBondContact O-N 2.91Å |
| 434 | Q | 66.1 | Low | 74.3 | Confident | 141 Ų | 141 | 114.6 Ų | 114.6 | 66% | 0.659 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -75.6 | -28.7 | -175.9 | -155.6 | 172.5 | 6.1 | 0 | 0 | 113 | R430 R431 L436 L437 | R430-Q434 WeakPolarHBondContact O-CB 3.29Å; R430-Q434 PolarHBondContact O-N 2.99Å; R431-Q434 PolarHBondContact O-N 3.43Å; Q434-L436 PolarHBondContact O-N 3.38Å; Q434-L436 VanDerWaalsContact O-N 3.11Å; Q434-L437 PolarHBondContact O-N 2.89Å |
| 435 | Q | 64.1 | Low | 73.9 | Confident | 126 Ų | 126 | 115.8 Ų | 115.8 | 59% | 0.589 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -17.2 | 176.1 | -71.7 | -175 | 3.5 | 0 | 0 | 113.7 | R431 L437 | R431-Q435 PolarHBondContact O-N 3.49Å; Q435-L437 VanDerWaalsContact C-N 3.31Å; Q435-L437 PolarHBondContact O-N 3.37Å |
| 436 | L | 63.9 | Low | 73.2 | Confident | 37 Ų | 37 | 110 Ų | 110 | 19% | 0.194 | 52% | 0.521 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -26.9 | -177.8 | -156.7 | 76.2 | 0 | 0 | 0 | 112.8 | G433 Q434 F446 A459 L462 | G433-L436 WeakPolarHBondContact O-CB 3.3Å; G433-L436 PolarHBondContact O-N 2.91Å; Q434-L436 PolarHBondContact O-N 3.38Å; Q434-L436 VanDerWaalsContact O-N 3.11Å; L436-F446 HydrophobicContact CD1-CE2 3.98Å; L436-F446 HydrophobicContact CD1-CZ 4.22Å; L436-F446 HydrophobicContact CD2-CE1 4.24Å; L436-F446 HydrophobicContact CD2-CE2 3.86Å; L436-F446 HydrophobicContact CD2-CZ 3.4Å; L436-F446 VanDerWaalsContact CD2-CZ 3.4Å; L436-F446 HydrophobicContact CG-CE2 3.59Å; L436-F446 HydrophobicContact CG-CZ 3.71Å; L436-A459 HydrophobicContact CD1-CB 4.35Å; L436-A459 HydrophobicContact CD2-CB 4.06Å; L436-L462 HydrophobicContact CD2-CD1 3.34Å; L436-L462 HydrophobicContact CD2-CG 4.43Å |
| 437 | L | 64.8 | Low | 72.5 | Confident | 105 Ų | 105 | 110.2 Ų | 110.2 | 55% | 0.55 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -106.6 | 0.4 | -179.2 | -61.8 | 176.9 | 0 | 0 | 0 | 113.3 | Q434 Q435 | Q434-L437 PolarHBondContact O-N 2.89Å; Q435-L437 VanDerWaalsContact C-N 3.31Å; Q435-L437 PolarHBondContact O-N 3.37Å |
| 438 | D | 65.8 | Low | 71.9 | Confident | 131 Ų | 131 | 106.5 Ų | 106.5 | 70% | 0.701 | 52% | 0.523 | S | S | * | . | trans | -95.4 | 6.9 | -171.6 | -147.3 | 20 | 0 | 0 | 0 | 113.5 | F440 | D438-F440 VanDerWaalsContact C-N 3.34Å; D438-F440 PolarHBondContact O-N 2.79Å | ||
| 439 | R | 69.3 | Low | 71.3 | Confident | 147 Ų | 147 | 106 Ų | 106 | 56% | 0.555 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -92.2 | 19.1 | -176.3 | -71.8 | -172.7 | 172 | 169.1 | -4.6 | 114.7 | T441 E455 | R439-T441 PolarHBondContact O-N 2.67Å; R439-E455 IonicContact CZ-OE2 3.31Å; R439-E455 IonicContact NH1-OE2 2.79Å; R439-E455 PolarHBondContact NH1-OE2 2.88Å; R439-E455 IonicContact NH2-OE2 3.72Å; R439-E455 PolarHBondContact NH2-OE2 3.34Å |
| 440 | F | 73.1 | Confident | 70.4 | Confident | 202 Ų | 202 | 102.5 Ų | 102.5 | 89% | 0.886 | 50% | 0.503 | S | S | * | . | S | Bend | trans | 56.1 | 2.8 | -165.5 | -58.8 | -84.4 | 0 | 0 | 0 | 114.5 | D438 T442 | D438-F440 VanDerWaalsContact C-N 3.34Å; D438-F440 PolarHBondContact O-N 2.79Å; F440-T442 PolarHBondContact O-N 2.95Å |
| 441 | T | 74.9 | Confident | 69.5 | Low | 47 Ų | 47 | 101.1 Ų | 101.1 | 29% | 0.288 | 51% | 0.508 | S | S | . | . | trans | -66.3 | 117.4 | 175.4 | -54.5 | 0 | 0 | 0 | 0 | 108.4 | R439 E445 F446 | R439-T441 PolarHBondContact O-N 2.67Å; T441-E445 WeakPolarHBondContact CA-OE2 3.47Å; T441-E445 HydrophobicContact CG2-CB 3.69Å; T441-F446 HydrophobicContact CG2-CB 4Å | ||
| 442 | T | 77.5 | Confident | 69 | Low | 64 Ų | 64 | 102.8 Ų | 102.8 | 39% | 0.393 | 52% | 0.515 | S | S | . | . | trans | -63.2 | 153.6 | 176.5 | 60.2 | 0 | 0 | 0 | 0 | 110.2 | F440 Q444 E445 F446 | F440-T442 PolarHBondContact O-N 2.95Å; T442-Q444 PolarHBondContact O-N 3.09Å; T442-Q444 VanDerWaalsContact O-N 3.13Å; T442-E445 WeakPolarHBondContact CG2-OE1 3.34Å; T442-E445 PolarHBondContact N-OE2 3.48Å; T442-E445 PolarHBondContact O-N 3.31Å; T442-E445 VanDerWaalsContact O-N 3.08Å; T442-E445 WeakPolarHBondContact OG1-CB 3.5Å; T442-E445 WeakPolarHBondContact OG1-CG 3.44Å; T442-E445 PolarHBondContact OG1-N 3.45Å; T442-E445 PolarHBondContact OG1-OE1 2.86Å; T442-F446 WeakPolarHBondContact O-CB 3.34Å; T442-F446 PolarHBondContact O-N 3.42Å | ||
| 443 | I | 73.5 | Confident | 68.4 | Low | 122 Ų | 122 | 102.9 Ų | 102.9 | 63% | 0.626 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -54.1 | -35.8 | 173.2 | -62 | 171.5 | 0 | 0 | 0 | 109.9 | F446 L447 | I443-F446 PolarHBondContact O-N 2.92Å; I443-L447 HydrophobicContact CG2-CD1 3.96Å; I443-L447 HydrophobicContact CG2-CG 4.35Å; I443-L447 WeakPolarHBondContact O-CB 3.33Å; I443-L447 WeakPolarHBondContact O-CG 3.22Å; I443-L447 PolarHBondContact O-N 3.47Å |
| 444 | Q | 77.2 | Confident | 68.2 | Low | 159 Ų | 159 | 104.4 Ų | 104.4 | 74% | 0.743 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.3 | -49 | 175.7 | -174.7 | 175.8 | -17.9 | 0 | 0 | 112.6 | T442 F446 L447 A448 | T442-Q444 PolarHBondContact O-N 3.09Å; T442-Q444 VanDerWaalsContact O-N 3.13Å; Q444-F446 VanDerWaalsContact C-N 3.28Å; Q444-F446 PolarHBondContact O-N 2.68Å; Q444-L447 PolarHBondContact O-N 2.74Å; Q444-A448 WeakPolarHBondContact O-CB 3.43Å; Q444-A448 PolarHBondContact O-N 2.91Å |
| 445 | E | 76.7 | Confident | 67.8 | Low | 84 Ų | 84 | 103.1 Ų | 103.1 | 39% | 0.393 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.1 | -39 | 174.3 | -77.4 | 156.7 | -139.9 | 0 | 0 | 111.8 | T441 T442 A448 H449 | T441-E445 WeakPolarHBondContact CA-OE2 3.47Å; T441-E445 HydrophobicContact CG2-CB 3.69Å; T442-E445 WeakPolarHBondContact CG2-OE1 3.34Å; T442-E445 PolarHBondContact N-OE2 3.48Å; T442-E445 PolarHBondContact O-N 3.31Å; T442-E445 VanDerWaalsContact O-N 3.08Å; T442-E445 WeakPolarHBondContact OG1-CB 3.5Å; T442-E445 WeakPolarHBondContact OG1-CG 3.44Å; T442-E445 PolarHBondContact OG1-N 3.45Å; T442-E445 PolarHBondContact OG1-OE1 2.86Å; E445-A448 PolarHBondContact O-N 3.35Å; E445-H449 WeakPolarHBondContact O-CB 3.27Å; E445-H449 PolarHBondContact O-CD2 3.18Å; E445-H449 VanDerWaalsContact O-CD2 3.3Å; E445-H449 PolarHBondContact O-N 2.95Å |
| 446 | F | 72.1 | Confident | 67.5 | Low | 20 Ų | 20 | 98.2 Ų | 98.2 | 9% | 0.088 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 177.4 | -173.1 | -97.5 | 0 | 0 | 0 | 111.4 | L436 T441 T442 I443 Q444 G450 A459 L463 | L436-F446 HydrophobicContact CD1-CE2 3.98Å; L436-F446 HydrophobicContact CD1-CZ 4.22Å; L436-F446 HydrophobicContact CD2-CE1 4.24Å; L436-F446 HydrophobicContact CD2-CE2 3.86Å; L436-F446 HydrophobicContact CD2-CZ 3.4Å; L436-F446 VanDerWaalsContact CD2-CZ 3.4Å; L436-F446 HydrophobicContact CG-CE2 3.59Å; L436-F446 HydrophobicContact CG-CZ 3.71Å; T441-F446 HydrophobicContact CG2-CB 4Å; T442-F446 WeakPolarHBondContact O-CB 3.34Å; T442-F446 PolarHBondContact O-N 3.42Å; I443-F446 PolarHBondContact O-N 2.92Å; Q444-F446 VanDerWaalsContact C-N 3.28Å; Q444-F446 PolarHBondContact O-N 2.68Å; F446-G450 WeakPolarHBondContact O-CA 3.41Å; F446-G450 PolarHBondContact O-N 3.34Å; F446-A459 HydrophobicContact CE1-CB 4.47Å; F446-A459 HydrophobicContact CE2-CB 4.5Å; F446-A459 HydrophobicContact CZ-CB 3.66Å; F446-L463 HydrophobicContact CE1-CD1 4.5Å |
| 447 | L | 73.1 | Confident | 67.2 | Low | 110 Ų | 110 | 105.1 Ų | 105.1 | 58% | 0.576 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69 | -33.6 | 174.8 | -69 | 172.7 | 0 | 0 | 0 | 112.5 | I443 Q444 L463 | I443-L447 HydrophobicContact CG2-CD1 3.96Å; I443-L447 HydrophobicContact CG2-CG 4.35Å; I443-L447 WeakPolarHBondContact O-CB 3.33Å; I443-L447 WeakPolarHBondContact O-CG 3.22Å; I443-L447 PolarHBondContact O-N 3.47Å; Q444-L447 PolarHBondContact O-N 2.74Å; L447-L463 HydrophobicContact CD2-CD2 3.99Å |
| 448 | A | 75 | Confident | 66.9 | Low | 63 Ų | 63 | 108.9 Ų | 108.9 | 52% | 0.521 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -76.6 | -29.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q444 E445 | Q444-A448 WeakPolarHBondContact O-CB 3.43Å; Q444-A448 PolarHBondContact O-N 2.91Å; E445-A448 PolarHBondContact O-N 3.35Å |
| 449 | H | 69.4 | Low | 66.5 | Low | 102 Ų | 102 | 102.7 Ų | 102.7 | 47% | 0.472 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -117.3 | 0 | -173.6 | -57.6 | -45.6 | 0 | 0 | 0 | 114.4 | E445 N451 R452 | E445-H449 WeakPolarHBondContact O-CB 3.27Å; E445-H449 PolarHBondContact O-CD2 3.18Å; E445-H449 VanDerWaalsContact O-CD2 3.3Å; E445-H449 PolarHBondContact O-N 2.95Å; H449-N451 PolarHBondContact O-N 3.09Å; H449-R452 PolarHBondContact O-N 3.45Å |
| 450 | G | 59.9 | Low | 66 | Low | 11 Ų | 11 | 101.5 Ų | 101.5 | 11% | 0.113 | 50% | 0.504 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 1.9 | -166.3 | 0 | 0 | 0 | 0 | 0 | 119 | F446 N456 | F446-G450 WeakPolarHBondContact O-CA 3.41Å; F446-G450 PolarHBondContact O-N 3.34Å; G450-N456 VanDerWaalsContact O-CB 3.23Å; G450-N456 WeakPolarHBondContact O-CB 3.42Å |
| 451 | N | 59.7 | Low | 65.5 | Low | 146 Ų | 146 | 94.9 Ų | 94.9 | 78% | 0.781 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.4 | 3.7 | 173.4 | -86.6 | -6 | 0 | 0 | 0 | 114.4 | H449 | H449-N451 PolarHBondContact O-N 3.09Š|
| 452 | R | 60.9 | Low | 64.9 | Low | 206 Ų | 206 | 98 Ų | 98 | 78% | 0.777 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -94.9 | -7.6 | -170.6 | -67.1 | -170.6 | 178.6 | 176.3 | 0.8 | 115.5 | H449 | H449-R452 PolarHBondContact O-N 3.45Š|
| 453 | T | 55.2 | Low | 64 | Low | 89 Ų | 89 | 99.6 Ų | 99.6 | 55% | 0.546 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -126.5 | 141.6 | 177.2 | 58.5 | 0 | 0 | 0 | 0 | 111.1 | E455 N456 | T453-E455 PolarHBondContact O-N 3.23Å; T453-N456 PolarHBondContact N-ND2 3.34Å; T453-N456 PolarHBondContact O-N 3.02Å; T453-N456 PolarHBondContact O-ND2 3.38Å; T453-N456 PolarHBondContact OG1-ND2 3.03Å |
| 454 | A | 59.3 | Low | 63.4 | Low | 81 Ų | 81 | 98.1 Ų | 98.1 | 67% | 0.669 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -7.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y457 | A454-Y457 HydrophobicContact CB-CE2 4.48Å; A454-Y457 WeakPolarHBondContact O-CD2 3.48Å; A454-Y457 WeakPolarHBondContact O-CE2 3.33Å |
| 455 | E | 58.4 | Low | 62.3 | Low | 114 Ų | 114 | 96.4 Ų | 96.4 | 53% | 0.533 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -7.5 | 176.3 | -58.1 | -153.4 | 155 | 0 | 0 | 113.8 | R439 T453 | R439-E455 IonicContact CZ-OE2 3.31Å; R439-E455 IonicContact NH1-OE2 2.79Å; R439-E455 PolarHBondContact NH1-OE2 2.88Å; R439-E455 IonicContact NH2-OE2 3.72Å; R439-E455 PolarHBondContact NH2-OE2 3.34Å; T453-E455 PolarHBondContact O-N 3.23Å |
| 456 | N | 57 | Low | 61.5 | Low | 23 Ų | 23 | 99 Ų | 99 | 12% | 0.123 | 53% | 0.534 | C | S | . | . | G | 310 helix | trans | -84.4 | -2.8 | -175.2 | -68 | -58.3 | 0 | 0 | 0 | 116 | G450 T453 R458 A459 | G450-N456 VanDerWaalsContact O-CB 3.23Å; G450-N456 WeakPolarHBondContact O-CB 3.42Å; T453-N456 PolarHBondContact N-ND2 3.34Å; T453-N456 PolarHBondContact O-N 3.02Å; T453-N456 PolarHBondContact O-ND2 3.38Å; T453-N456 PolarHBondContact OG1-ND2 3.03Å; N456-R458 PolarHBondContact O-N 2.74Å; N456-A459 VanDerWaalsContact O-CB 3.3Å; N456-A459 WeakPolarHBondContact O-CB 3.36Å; N456-A459 PolarHBondContact O-N 2.85Å |
| 457 | Y | 58.6 | Low | 61.4 | Low | 181 Ų | 181 | 104.1 Ų | 104.1 | 71% | 0.71 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -59.6 | -20.9 | 175.1 | -61.7 | -76.5 | 0 | 0 | 0 | 112.9 | A454 A459 | A454-Y457 HydrophobicContact CB-CE2 4.48Å; A454-Y457 WeakPolarHBondContact O-CD2 3.48Å; A454-Y457 WeakPolarHBondContact O-CE2 3.33Å; Y457-A459 VanDerWaalsContact C-N 3.33Å |
| 458 | R | 58.4 | Low | 60.4 | Low | 184 Ų | 184 | 109.2 Ų | 109.2 | 69% | 0.694 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -80.7 | -11.2 | 176.5 | -61.4 | -170.1 | -179.3 | -179 | 2.2 | 113.9 | N456 | N456-R458 PolarHBondContact O-N 2.74Š|
| 459 | A | 57.7 | Low | 59.7 | Low | 2 Ų | 2 | 111.5 Ų | 111.5 | 2% | 0.017 | 61% | 0.607 | C | S | . | * | G | 310 helix | trans | -87.9 | -8.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | L436 F446 N456 Y457 G461 L462 | L436-A459 HydrophobicContact CD1-CB 4.35Å; L436-A459 HydrophobicContact CD2-CB 4.06Å; F446-A459 HydrophobicContact CE1-CB 4.47Å; F446-A459 HydrophobicContact CE2-CB 4.5Å; F446-A459 HydrophobicContact CZ-CB 3.66Å; N456-A459 VanDerWaalsContact O-CB 3.3Å; N456-A459 WeakPolarHBondContact O-CB 3.36Å; N456-A459 PolarHBondContact O-N 2.85Å; Y457-A459 VanDerWaalsContact C-N 3.33Å; A459-G461 PolarHBondContact O-N 3.19Å; A459-L462 PolarHBondContact O-N 3.2Å |
| 460 | L | 59 | Low | 59.2 | Low | 122 Ų | 122 | 112 Ų | 112 | 64% | 0.639 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -22.5 | -174.6 | -66.8 | 172.9 | 0 | 0 | 0 | 113.9 | ||
| 461 | G | 62.1 | Low | 59.2 | Low | 62 Ų | 62 | 117.6 Ų | 117.6 | 64% | 0.639 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -15 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | A459 | A459-G461 PolarHBondContact O-N 3.19Š|
| 462 | L | 61.5 | Low | 59.1 | Low | 113 Ų | 113 | 115.9 Ų | 115.9 | 59% | 0.592 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -21.4 | 179.5 | -69.2 | 179.2 | 0 | 0 | 0 | 113.4 | L436 A459 | L436-L462 HydrophobicContact CD2-CD1 3.34Å; L436-L462 HydrophobicContact CD2-CG 4.43Å; A459-L462 PolarHBondContact O-N 3.2Å |
| 463 | L | 60.5 | Low | 59 | Low | 98 Ų | 98 | 110.3 Ų | 110.3 | 51% | 0.513 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -98 | 10.1 | -177.2 | -76.1 | 126.1 | 0 | 0 | 0 | 113.4 | F446 L447 V465 | F446-L463 HydrophobicContact CE1-CD1 4.5Å; L447-L463 HydrophobicContact CD2-CD2 3.99Å; L463-V465 VanDerWaalsContact C-N 3.29Å; L463-V465 PolarHBondContact O-N 3.44Å |
| 464 | S | 59.9 | Low | 59.3 | Low | 90 Ų | 90 | 111.7 Ų | 111.7 | 63% | 0.629 | 63% | 0.63 | S | S | * | * | trans | -82.5 | 71.4 | 174.8 | 66.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 465 | V | 55.3 | Low | 59.3 | Low | 123 Ų | 123 | 113.9 Ų | 113.9 | 75% | 0.745 | 63% | 0.627 | S | S | * | * | trans | -126.9 | 103.7 | 160.6 | -178 | 0 | 0 | 0 | 0 | 107.9 | L463 | L463-V465 VanDerWaalsContact C-N 3.29Å; L463-V465 PolarHBondContact O-N 3.44Å | ||
| 466 | T | 58.3 | Low | 59.4 | Low | 138 Ų | 138 | 113.9 Ų | 113.9 | 85% | 0.847 | 63% | 0.634 | S | S | * | * | trans | -92.2 | 126.8 | 167.9 | 49 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 467 | T | 70.1 | Confident | 59.6 | Low | 128 Ų | 128 | 121.5 Ų | 121.5 | 79% | 0.785 | 68% | 0.677 | S | S | * | * | trans | -96.2 | 145.2 | 161.6 | 54 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 468 | V | 53.4 | Low | 59.6 | Low | 217 Ų | 217 | 116.1 Ų | 116.1 | 100% | 1.315 | 67% | 0.674 | S | S | * | * | trans | -71.7 | 0 | 175.9 | -174.5 | 0 | 0 | 0 | 0 | 110.4 |
Retrieved 468 of 468 residues in 228.2 ms
(Link to these results)