| 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 | 41.6 | Very low | 49.1 | Very low | 238 Ų | 238 | 129.2 Ų | 129.2 | 100% | 1.172 | 83% | 0.832 | S | S | * | * | 0 | 138.3 | 0 | -81.2 | -171.6 | 172.1 | 0 | 0 | 107.3 | |||||
| 2 | P | 64.4 | Low | 48.6 | Very low | 106 Ų | 106 | 134.7 Ų | 134.7 | 69% | 0.688 | 83% | 0.834 | S | S | * | * | -104.9 | 169.5 | -93.3 | -7.2 | 26.2 | 0 | 0 | 0 | 114.6 | |||||
| 3 | D | 53.5 | Low | 47.8 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 86% | 0.861 | 84% | 0.836 | S | S | * | * | trans | 33.3 | 138 | 134.6 | -38 | -29.6 | 0 | 0 | 0 | 119.1 | ||||
| 4 | G | 48.2 | Very low | 47.8 | Very low | 65 Ų | 65 | 135.5 Ų | 135.5 | 67% | 0.67 | 83% | 0.834 | S | S | * | * | cis | 130.4 | 147.2 | 13.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 5 | L | 47.4 | Very low | 47.3 | Very low | 190 Ų | 190 | 137.2 Ų | 137.2 | 100% | 0.995 | 84% | 0.836 | S | S | * | * | trans | 77.5 | 142.9 | 163.9 | -56.2 | 159 | 0 | 0 | 0 | 119.7 | ||||
| 6 | G | 48.9 | Very low | 46.9 | Very low | 72 Ų | 72 | 140.6 Ų | 140.6 | 74% | 0.742 | 84% | 0.843 | S | S | * | * | trans | 129 | 80.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 7 | S | 48.8 | Very low | 47.2 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 85% | 0.853 | 84% | 0.844 | S | S | * | * | 71.9 | 134.5 | 87.7 | -172.6 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 8 | S | 47.5 | Very low | 47.1 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 71% | 0.706 | 84% | 0.837 | S | S | * | * | cis | -170.7 | 171.1 | -13.1 | -179.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 9 | S | 53.7 | Low | 47.3 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 82% | 0.818 | 84% | 0.844 | S | S | * | * | trans | 65.1 | 140 | 176.4 | 74.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 10 | G | 42.3 | Very low | 47.2 | Very low | 68 Ų | 68 | 139.4 Ų | 139.4 | 70% | 0.701 | 85% | 0.845 | S | S | * | * | cis | 123.1 | 90.3 | -10.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 11 | L | 43.7 | Very low | 47.5 | Very low | 181 Ų | 181 | 142.8 Ų | 142.8 | 95% | 0.948 | 85% | 0.849 | S | S | * | * | trans | -156.7 | 169 | 149.5 | -134.2 | 78 | 0 | 0 | 0 | 111.3 | ||||
| 12 | K | 43.6 | Very low | 47.6 | Very low | 195 Ų | 195 | 134.4 Ų | 134.4 | 85% | 0.848 | 82% | 0.823 | S | S | * | * | trans | -100.8 | 139.3 | -151.6 | -67.9 | -170.9 | 176.8 | -174 | 0 | 117.1 | ||||
| 13 | L | 37.2 | Very low | 46.5 | Very low | 166 Ų | 166 | 139 Ų | 139 | 87% | 0.869 | 83% | 0.832 | S | S | * | * | 40.9 | 111.3 | 126.4 | -168.4 | 70.8 | 0 | 0 | 0 | 120.5 | |||||
| 14 | S | 48.2 | Very low | 46.4 | Very low | 115 Ų | 115 | 136.8 Ų | 136.8 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | -165.6 | 156.5 | 130.9 | 50.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 15 | N | 40.5 | Very low | 46.1 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 86% | 0.861 | 83% | 0.829 | S | S | * | * | trans | -40.7 | 129.9 | -169.9 | -70.7 | 11.2 | 0 | 0 | 0 | 117.5 | ||||
| 16 | M | 40.6 | Very low | 45.6 | Very low | 192 Ų | 192 | 135.1 Ų | 135.1 | 95% | 0.946 | 82% | 0.821 | S | S | * | * | trans | -143.2 | 125.8 | 139.9 | -75.1 | -160.6 | 74.2 | 0 | 0 | 110.3 | ||||
| 17 | S | 51.6 | Low | 45.1 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | trans | -130.4 | 144.8 | 172.7 | 175.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 18 | G | 46 | Very low | 44.4 | Very low | 69 Ų | 69 | 135.4 Ų | 135.4 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | trans | 79.2 | 95.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 19 | F | 50.8 | Low | 44.3 | Very low | 221 Ų | 221 | 135.7 Ų | 135.7 | 97% | 0.969 | 82% | 0.815 | S | S | * | * | trans | -60.4 | 137.6 | 164.7 | -75.7 | -99.8 | 0 | 0 | 0 | 110.7 | ||||
| 20 | S | 45 | Very low | 43.5 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -125.9 | 121.7 | 168.2 | -170.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 21 | F | 53.1 | Low | 43.3 | Very low | 212 Ų | 212 | 140.6 Ų | 140.6 | 93% | 0.93 | 82% | 0.82 | S | S | * | * | trans | -115.1 | 145.5 | -179 | -149.2 | -92 | 0 | 0 | 0 | 111 | ||||
| 22 | G | 43.5 | Very low | 43.1 | Very low | 62 Ų | 62 | 142.1 Ų | 142.1 | 64% | 0.639 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 160.3 | -160.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 23 | K | 42.6 | Very low | 42.9 | Very low | 203 Ų | 203 | 136.1 Ų | 136.1 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 135 | 174.8 | -179.7 | -178.8 | -171.3 | 172.4 | 0 | 112.1 | ||
| 24 | P | 50.7 | Low | 43.1 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 126.8 | 140.5 | 32.2 | -24.4 | 0 | 0 | 0 | 108.5 | ||
| 25 | A | 42.3 | Very low | 43 | Very low | 88 Ų | 88 | 133.9 Ų | 133.9 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | 78.7 | 123.8 | 73.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 26 | T | 37.3 | Very low | 43.3 | Very low | 133 Ų | 133 | 131.4 Ų | 131.4 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | trans | -75.2 | 179.6 | -176 | 41.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 27 | T | 38 | Very low | 43.2 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | 105.9 | 137.7 | 147.5 | -17.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 28 | S | 34.9 | Very low | 42.7 | Very low | 77 Ų | 77 | 129.9 Ų | 129.9 | 54% | 0.538 | 79% | 0.794 | S | S | . | * | trans | 76.3 | 91.4 | 156.1 | -50.8 | 0 | 0 | 0 | 0 | 119.2 | F30 | S28-F30 WeakPolarHBondContact O-CD2 3.41Å; S28-F30 WeakPolarHBondContact O-CE2 3.49Å | ||
| 29 | A | 44.1 | Very low | 42.2 | Very low | 108 Ų | 108 | 133.7 Ų | 133.7 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 130.8 | 144.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 30 | F | 38.5 | Very low | 41.6 | Very low | 193 Ų | 193 | 129.1 Ų | 129.1 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 156.5 | -167.4 | -73.2 | -100.3 | 0 | 0 | 0 | 113.4 | S28 | S28-F30 WeakPolarHBondContact O-CD2 3.41Å; S28-F30 WeakPolarHBondContact O-CE2 3.49Å |
| 31 | A | 37.1 | Very low | 41.4 | Very low | 94 Ų | 94 | 128 Ų | 128 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 150.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 32 | F | 39.1 | Very low | 40.8 | Very low | 214 Ų | 214 | 121 Ų | 121 | 94% | 0.939 | 79% | 0.785 | S | S | * | * | trans | -154 | 113 | 151.7 | -131 | -98.3 | 0 | 0 | 0 | 105.3 | ||||
| 33 | G | 40.3 | Very low | 40.8 | Very low | 69 Ų | 69 | 124.8 Ų | 124.8 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | 84.4 | 125.3 | 91.1 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 34 | S | 41.5 | Very low | 40.7 | Very low | 126 Ų | 126 | 124 Ų | 124 | 88% | 0.881 | 79% | 0.793 | S | S | * | * | cis | -155.9 | 169.6 | 12 | 48.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 35 | S | 44.6 | Very low | 40.5 | Very low | 108 Ų | 108 | 124.1 Ų | 124.1 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -92.4 | -157.7 | -170.8 | 61.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 36 | P | 48.5 | Very low | 40.5 | Very low | 109 Ų | 109 | 125.5 Ų | 125.5 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | cis | -135.5 | 149.3 | -35.9 | 26.3 | -6.9 | 0 | 0 | 0 | 114.9 | ||||
| 37 | F | 38.7 | Very low | 40.5 | Very low | 223 Ų | 223 | 128.9 Ų | 128.9 | 98% | 0.978 | 80% | 0.796 | S | S | * | * | trans | -170.9 | 145.9 | 141.1 | -137.1 | -101.8 | 0 | 0 | 0 | 108.3 | ||||
| 38 | G | 40 | Very low | 40.5 | Very low | 61 Ų | 61 | 125.6 Ų | 125.6 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | cis | 179.2 | 125.7 | -7.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 39 | T | 35.6 | Very low | 40.8 | Very low | 148 Ų | 148 | 128.6 Ų | 128.6 | 91% | 0.908 | 80% | 0.802 | S | S | * | * | trans | -81.5 | 132.6 | -171.3 | 49.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 40 | S | 38.4 | Very low | 40.4 | Very low | 126 Ų | 126 | 129 Ų | 129 | 88% | 0.881 | 80% | 0.798 | S | S | * | * | trans | -157.3 | 159.5 | 146.8 | -158.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 41 | A | 41.3 | Very low | 40.3 | Very low | 100 Ų | 100 | 126.3 Ų | 126.3 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | -80.8 | 158.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 42 | G | 40.7 | Very low | 40.4 | Very low | 65 Ų | 65 | 127.1 Ų | 127.1 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | trans | 167 | 101 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 43 | T | 42.3 | Very low | 40.3 | Very low | 141 Ų | 141 | 123.4 Ų | 123.4 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | trans | 42.1 | 109.2 | 144.7 | 50.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 44 | K | 41.6 | Very low | 40.4 | Very low | 187 Ų | 187 | 127 Ų | 127 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 125.4 | 158.8 | 172.5 | -176.1 | 178.8 | 178 | 0 | 111.4 | ||
| 45 | P | 46.2 | Very low | 40.2 | Very low | 115 Ų | 115 | 126 Ų | 126 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 117.5 | 165.9 | 31.3 | -29.9 | 0 | 0 | 0 | 110.6 | ||
| 46 | T | 41.5 | Very low | 39.9 | Very low | 116 Ų | 116 | 127.6 Ų | 127.6 | 71% | 0.712 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 128.8 | 157.9 | -66.7 | 0 | 0 | 0 | 0 | 107.6 | ||
| 47 | F | 37.2 | Very low | 39.3 | Very low | 204 Ų | 204 | 131.6 Ų | 131.6 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | trans | -114 | 115.1 | 167.1 | -136.4 | -90.3 | 0 | 0 | 0 | 109.2 | ||||
| 48 | G | 39.1 | Very low | 39.2 | Very low | 53 Ų | 53 | 125.8 Ų | 125.8 | 55% | 0.546 | 79% | 0.787 | S | S | . | * | trans | -85.6 | 146 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S50 | G48-S50 PolarHBondContact O-N 3.08Š| ||
| 49 | V | 39.4 | Very low | 39.4 | Very low | 141 Ų | 141 | 129 Ų | 129 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | -75.9 | 113.3 | 161.1 | 158 | 0 | 0 | 0 | 0 | 107.9 | T51 | V49-T51 HydrophobicContact CG1-CG2 4.27Š| ||
| 50 | S | 36 | Very low | 39.5 | Very low | 117 Ų | 117 | 126 Ų | 126 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -98.4 | 115 | 163.4 | -70.1 | 0 | 0 | 0 | 0 | 109 | G48 | G48-S50 PolarHBondContact O-N 3.08Š| ||
| 51 | T | 36.9 | Very low | 39.8 | Very low | 136 Ų | 136 | 126.8 Ų | 126.8 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | trans | -82.4 | 115.7 | 168.1 | 43 | 0 | 0 | 0 | 0 | 109.9 | V49 | V49-T51 HydrophobicContact CG1-CG2 4.27Š| ||
| 52 | S | 39.1 | Very low | 39.4 | Very low | 110 Ų | 110 | 126.7 Ų | 126.7 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -134.6 | 111.4 | 165.3 | 63.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 53 | T | 37 | Very low | 39.5 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | -37.2 | 135.8 | 167.5 | 50.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 54 | T | 41.9 | Very low | 39.2 | Very low | 144 Ų | 144 | 127.4 Ų | 127.4 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | -139.8 | 134.2 | 130 | 42.1 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 55 | S | 37.4 | Very low | 39.2 | Very low | 107 Ų | 107 | 124.3 Ų | 124.3 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -85 | 163.2 | 171.8 | 59.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 56 | L | 38.1 | Very low | 38.6 | Very low | 141 Ų | 141 | 126 Ų | 126 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | -173.3 | 142.5 | 126.9 | -99 | 162.3 | 0 | 0 | 0 | 111.1 | |||||
| 57 | F | 37.4 | Very low | 38.3 | Very low | 192 Ų | 192 | 127 Ų | 127 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | trans | 70.6 | 95.3 | 173.3 | -55.8 | -67.5 | 0 | 0 | 0 | 119.6 | ||||
| 58 | S | 35.6 | Very low | 38.1 | Very low | 101 Ų | 101 | 121.3 Ų | 121.3 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -115.7 | 162.2 | 141.3 | -163.3 | 0 | 0 | 0 | 0 | 107 | A60 | S58-A60 PolarHBondContact OG-N 3.16Š| ||
| 59 | P | 45.6 | Very low | 37.7 | Very low | 128 Ų | 128 | 125.4 Ų | 125.4 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | -142.1 | 140 | 91.3 | 35.9 | -21.2 | 0 | 0 | 0 | 114.5 | |||||
| 60 | A | 36.3 | Very low | 37.2 | Very low | 87 Ų | 87 | 125 Ų | 125 | 72% | 0.719 | 80% | 0.803 | S | S | * | * | trans | -87.9 | 149.5 | 159.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | S58 | S58-A60 PolarHBondContact OG-N 3.16Š| ||
| 61 | V | 44.1 | Very low | 37 | Very low | 142 Ų | 142 | 125.1 Ų | 125.1 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | -126.4 | 116.7 | 158.6 | 174.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 62 | A | 34.7 | Very low | 37.1 | Very low | 97 Ų | 97 | 123.8 Ų | 123.8 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | -129.7 | 119.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 63 | S | 42 | Very low | 37 | Very low | 111 Ų | 111 | 123.9 Ų | 123.9 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -150.2 | 98.7 | 168.8 | -83.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 64 | S | 37.2 | Very low | 37.2 | Very low | 111 Ų | 111 | 124.7 Ų | 124.7 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -3.3 | 132.6 | 145.2 | 53.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 65 | S | 40.5 | Very low | 37.1 | Very low | 122 Ų | 122 | 124.8 Ų | 124.8 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | -172.1 | 159.3 | 118.2 | 38.7 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 66 | N | 34 | Very low | 37.3 | Very low | 151 Ų | 151 | 127.3 Ų | 127.3 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | trans | -79.1 | 170.3 | -173.7 | -83.3 | -17.2 | 0 | 0 | 0 | 114.1 | ||||
| 67 | T | 34 | Very low | 37.5 | Very low | 137 Ų | 137 | 127.6 Ų | 127.6 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | trans | 89.5 | 139.2 | 143 | 10 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 68 | A | 34.5 | Very low | 37.5 | Very low | 83 Ų | 83 | 123.1 Ų | 123.1 | 69% | 0.686 | 79% | 0.789 | S | S | * | * | trans | 79.1 | 103.2 | 152.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 69 | V | 29.6 | Very low | 38.1 | Very low | 140 Ų | 140 | 123.7 Ų | 123.7 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | 1.3 | 125.8 | 134 | -78.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 70 | C | 29.1 | Very low | 37.9 | Very low | 132 Ų | 132 | 122.4 Ų | 122.4 | 89% | 0.892 | 78% | 0.784 | S | S | * | * | trans | -153.1 | 123.1 | 147 | -107 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 71 | S | 32.3 | Very low | 38.1 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -101.5 | 128.6 | 174.7 | -54.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 72 | S | 38.5 | Very low | 37.7 | Very low | 108 Ų | 108 | 124.7 Ų | 124.7 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -151.8 | 95.4 | 167.3 | -60.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 73 | S | 37.1 | Very low | 38.1 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | 55.2 | 122.1 | 78.7 | 92.5 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 74 | L | 40.7 | Very low | 37.8 | Very low | 153 Ų | 153 | 127 Ų | 127 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | trans | -173.8 | 104.9 | 153.3 | -97.9 | 164.4 | 0 | 0 | 0 | 108.5 | ||||
| 75 | L | 40 | Very low | 38 | Very low | 146 Ų | 146 | 126.6 Ų | 126.6 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | 64.1 | 145.1 | 144.3 | -54 | 172.6 | 0 | 0 | 0 | 119.8 | ||||
| 76 | Q | 41.3 | Very low | 37.9 | Very low | 160 Ų | 160 | 126.2 Ų | 126.2 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | cis | -168.6 | 153.6 | -13.1 | 176.8 | 172 | -8 | 0 | 0 | 110.4 | ||||
| 77 | N | 43 | Very low | 38.2 | Very low | 147 Ų | 147 | 124.4 Ų | 124.4 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | trans | 95.8 | 111.8 | 157.2 | -134.1 | 65.5 | 0 | 0 | 0 | 121.2 | ||||
| 78 | S | 38.5 | Very low | 38.5 | Very low | 99 Ų | 99 | 120.7 Ų | 120.7 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | trans | -90.9 | -159 | 172.7 | -32.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 79 | P | 48.1 | Very low | 38.5 | Very low | 113 Ų | 113 | 127.3 Ų | 127.3 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | cis | -128.4 | 178 | -15.5 | 33.8 | -12.9 | 0 | 0 | 0 | 113.1 | ||||
| 80 | S | 39.6 | Very low | 38.8 | Very low | 100 Ų | 100 | 124 Ų | 124 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | 177.5 | 155.2 | 92.9 | -68.8 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 81 | L | 40.7 | Very low | 38.9 | Very low | 177 Ų | 177 | 124.2 Ų | 124.2 | 93% | 0.927 | 76% | 0.763 | S | S | * | * | trans | 83.8 | 127.4 | 158.5 | -69.7 | 150.5 | 0 | 0 | 0 | 119.5 | ||||
| 82 | S | 37.3 | Very low | 39 | Very low | 100 Ų | 100 | 125 Ų | 125 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | trans | -122.4 | 165.3 | -168.7 | 51 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 83 | L | 41.8 | Very low | 38.8 | Very low | 150 Ų | 150 | 123.8 Ų | 123.8 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | -167.3 | 129 | 123.2 | -124.9 | 70 | 0 | 0 | 0 | 113.4 | |||||
| 84 | T | 36 | Very low | 38.7 | Very low | 107 Ų | 107 | 124.6 Ų | 124.6 | 66% | 0.656 | 76% | 0.759 | S | S | * | * | trans | 35.7 | 112.3 | 140.5 | 49.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 85 | S | 41 | Very low | 38.5 | Very low | 103 Ų | 103 | 123 Ų | 123 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | 79.8 | 145.1 | 82.9 | 81.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 86 | T | 39.7 | Very low | 38.7 | Very low | 114 Ų | 114 | 121.8 Ų | 121.8 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | cis | -167.2 | 148.7 | 45.1 | -39.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 87 | S | 39.9 | Very low | 38.7 | Very low | 112 Ų | 112 | 121.6 Ų | 121.6 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | 38.8 | 142.7 | 152.9 | 60.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 88 | G | 40.2 | Very low | 38.5 | Very low | 60 Ų | 60 | 118.5 Ų | 118.5 | 62% | 0.619 | 76% | 0.758 | S | S | * | * | cis | 149.5 | 161.4 | 4.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 89 | F | 35 | Very low | 38.6 | Very low | 222 Ų | 222 | 123.5 Ų | 123.5 | 97% | 0.974 | 77% | 0.768 | S | S | * | * | trans | 64.2 | 156.8 | 179.5 | -54.6 | -85.1 | 0 | 0 | 0 | 115.5 | ||||
| 90 | G | 36.1 | Very low | 38.2 | Very low | 70 Ų | 70 | 121.6 Ų | 121.6 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | cis | -173.5 | 175.9 | 2.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 91 | T | 30.7 | Very low | 38.2 | Very low | 136 Ų | 136 | 124.6 Ų | 124.6 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | -114.1 | 171 | -160.2 | 52.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 92 | V | 33.9 | Very low | 38.2 | Very low | 135 Ų | 135 | 120.3 Ų | 120.3 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | 96.3 | 120.9 | 156.5 | -174.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 93 | A | 34.5 | Very low | 38.4 | Very low | 83 Ų | 83 | 120 Ų | 120 | 69% | 0.686 | 76% | 0.759 | S | S | * | * | trans | -36.1 | 164.3 | 165 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 94 | T | 36 | Very low | 38.2 | Very low | 130 Ų | 130 | 122.2 Ų | 122.2 | 80% | 0.798 | 76% | 0.763 | S | S | * | * | trans | -166.2 | 104.9 | 142.3 | 17.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 95 | T | 35.3 | Very low | 38.3 | Very low | 119 Ų | 119 | 121.3 Ų | 121.3 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | 61.7 | 118.3 | 93.7 | 60.9 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 96 | S | 44.7 | Very low | 38.1 | Very low | 121 Ų | 121 | 121.8 Ų | 121.8 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | trans | -146 | 139.4 | 146.6 | 53.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 97 | N | 40.1 | Very low | 37.9 | Very low | 156 Ų | 156 | 123.9 Ų | 123.9 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | -95 | -175.6 | -170.7 | -40.5 | -21.3 | 0 | 0 | 0 | 109.6 | ||||
| 98 | A | 40.7 | Very low | 37.9 | Very low | 81 Ų | 81 | 122.7 Ų | 122.7 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | cis | -157.7 | 153.8 | 0.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 99 | F | 40.2 | Very low | 37.8 | Very low | 204 Ų | 204 | 129 Ų | 129 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | -174.7 | 133 | 80.9 | -109.5 | -101.3 | 0 | 0 | 0 | 106.1 | |||||
| 100 | G | 38.6 | Very low | 38 | Very low | 73 Ų | 73 | 123.8 Ų | 123.8 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | 84.2 | 122.6 | 85 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 101 | L | 39.7 | Very low | 38.1 | Very low | 164 Ų | 164 | 125.4 Ų | 125.4 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | cis | -164.2 | 139.3 | 30.8 | 170.8 | 61.9 | 0 | 0 | 0 | 112.9 | ||||
| 102 | S | 41.9 | Very low | 38.3 | Very low | 87 Ų | 87 | 125 Ų | 125 | 61% | 0.608 | 77% | 0.769 | S | S | * | * | trans | 44.7 | 117.2 | 161.2 | 67.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 103 | S | 40.1 | Very low | 38.3 | Very low | 94 Ų | 94 | 124.8 Ų | 124.8 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | 79.4 | 138.6 | 81.6 | -145 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 104 | F | 37.5 | Very low | 38.6 | Very low | 195 Ų | 195 | 127.9 Ų | 127.9 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | cis | -143.8 | 169.8 | 33.8 | -32.6 | -90.6 | 0 | 0 | 0 | 111.5 | ||||
| 105 | A | 39.7 | Very low | 38.5 | Very low | 89 Ų | 89 | 126.4 Ų | 126.4 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | trans | -113.7 | 163.4 | -163 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 106 | S | 35.6 | Very low | 38.4 | Very low | 112 Ų | 112 | 126.7 Ų | 126.7 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | 72.3 | 153.1 | 167.2 | 82.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 107 | L | 36.8 | Very low | 38 | Very low | 159 Ų | 159 | 130.1 Ų | 130.1 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | cis | -156.5 | 149.7 | 15.5 | -168.5 | 65.1 | 0 | 0 | 0 | 111.8 | ||||
| 108 | A | 39.8 | Very low | 37.8 | Very low | 87 Ų | 87 | 125.6 Ų | 125.6 | 72% | 0.719 | 77% | 0.766 | S | S | * | * | trans | 44.8 | 128.9 | 153.8 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 109 | K | 36.2 | Very low | 37.7 | Very low | 191 Ų | 191 | 127 Ų | 127 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | trans | -49.1 | 142 | 157 | -172.6 | -153.4 | -176.8 | 80.5 | 0 | 113.8 | ||||
| 110 | P | 39.3 | Very low | 37.5 | Very low | 114 Ų | 114 | 123.1 Ų | 123.1 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | -138.6 | 134 | 113.8 | 33.1 | -18.8 | 0 | 0 | 0 | 112 | |||||
| 111 | S | 39.1 | Very low | 37.7 | Very low | 103 Ų | 103 | 125.3 Ų | 125.3 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | 60 | 123.8 | 86.7 | -156.1 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 112 | T | 34.5 | Very low | 37.6 | Very low | 128 Ų | 128 | 125.2 Ų | 125.2 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -66.6 | 143.8 | -176.9 | 47.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 113 | T | 34.7 | Very low | 37.7 | Very low | 130 Ų | 130 | 128 Ų | 128 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | trans | -165.6 | 128.8 | 133.8 | -72.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 114 | V | 39.3 | Very low | 37.6 | Very low | 149 Ų | 149 | 126.9 Ų | 126.9 | 90% | 0.903 | 78% | 0.783 | S | S | * | * | trans | -113.8 | 129.4 | 170.1 | -172.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 115 | S | 34.5 | Very low | 37.6 | Very low | 98 Ų | 98 | 126 Ų | 126 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | trans | -141.2 | 116.5 | 173.6 | -164.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 116 | T | 34.3 | Very low | 37.4 | Very low | 125 Ų | 125 | 124.9 Ų | 124.9 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | 48.8 | 109.4 | 129.8 | -38.4 | 0 | 0 | 0 | 0 | 121 | |||||
| 117 | F | 34.6 | Very low | 37.6 | Very low | 193 Ų | 193 | 125.4 Ų | 125.4 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -167.9 | 142.2 | 131.2 | -147.1 | -96.9 | 0 | 0 | 0 | 107.8 | T119 | F117-T119 HydrophobicContact CE1-CG2 3.97Å; F117-T119 HydrophobicContact CZ-CG2 4.2Å | ||
| 118 | G | 37.5 | Very low | 37.8 | Very low | 62 Ų | 62 | 124.4 Ų | 124.4 | 64% | 0.639 | 78% | 0.777 | S | S | * | * | cis | -156.4 | -154.6 | -10.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 119 | T | 37.9 | Very low | 37.8 | Very low | 111 Ų | 111 | 125 Ų | 125 | 68% | 0.681 | 78% | 0.777 | S | S | * | * | cis | -170.4 | 171.3 | -8.9 | -1.8 | 0 | 0 | 0 | 0 | 108.2 | F117 | F117-T119 HydrophobicContact CE1-CG2 3.97Å; F117-T119 HydrophobicContact CZ-CG2 4.2Å | ||
| 120 | S | 36.8 | Very low | 37.8 | Very low | 122 Ų | 122 | 121.9 Ų | 121.9 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | 81 | 134.1 | 179.2 | -44.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 121 | S | 42.7 | Very low | 38 | Very low | 118 Ų | 118 | 123 Ų | 123 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | cis | -150.5 | 153.5 | -6.2 | 51.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 122 | I | 36.4 | Very low | 38.1 | Very low | 163 Ų | 163 | 123.7 Ų | 123.7 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | trans | -122.3 | 134.8 | -173.9 | -54.4 | 167.7 | 0 | 0 | 0 | 110.1 | ||||
| 123 | T | 43.7 | Very low | 38.4 | Very low | 146 Ų | 146 | 122.6 Ų | 122.6 | 90% | 0.896 | 76% | 0.763 | S | S | * | * | trans | -146.8 | 112.4 | 156.4 | 31.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 124 | G | 39.5 | Very low | 38.7 | Very low | 69 Ų | 69 | 122.3 Ų | 122.3 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | trans | 81.3 | 154.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 125 | L | 35.8 | Very low | 38.8 | Very low | 178 Ų | 178 | 120.1 Ų | 120.1 | 93% | 0.932 | 75% | 0.752 | S | S | * | * | cis | -164.4 | 130.9 | -17.2 | -168.2 | 72.8 | 0 | 0 | 0 | 110.5 | ||||
| 126 | G | 37.3 | Very low | 39.2 | Very low | 64 Ų | 64 | 124.3 Ų | 124.3 | 66% | 0.66 | 76% | 0.761 | S | S | * | * | trans | 76.5 | 161.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 127 | T | 39.2 | Very low | 39.4 | Very low | 124 Ų | 124 | 123.9 Ų | 123.9 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | cis | -167 | 153.4 | -9.1 | 1.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 128 | N | 39.9 | Very low | 39.8 | Very low | 137 Ų | 137 | 118.1 Ų | 118.1 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | trans | 73.5 | 112.3 | 161.1 | -49 | -22.1 | 0 | 0 | 0 | 116.1 | ||||
| 129 | S | 40 | Very low | 39.8 | Very low | 101 Ų | 101 | 122.3 Ų | 122.3 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | 105.8 | 145.1 | 78.7 | -79.1 | 0 | 0 | 0 | 0 | 110 | |||||
| 130 | N | 37.2 | Very low | 39.9 | Very low | 125 Ų | 125 | 123.1 Ų | 123.1 | 67% | 0.668 | 76% | 0.758 | S | S | * | * | cis | -162.9 | 155.7 | 5.9 | -122.9 | 28.1 | 0 | 0 | 0 | 110.8 | ||||
| 131 | L | 42.2 | Very low | 40.1 | Very low | 136 Ų | 136 | 125.1 Ų | 125.1 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | trans | 64.4 | 117.5 | 151.8 | -54.1 | 161 | 0 | 0 | 0 | 118.4 | ||||
| 132 | T | 41.8 | Very low | 40.2 | Very low | 118 Ų | 118 | 124.4 Ų | 124.4 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | 59.3 | 135.1 | 59.5 | 71.7 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 133 | P | 41.7 | Very low | 40.3 | Very low | 106 Ų | 106 | 121.9 Ų | 121.9 | 69% | 0.688 | 74% | 0.744 | S | S | * | * | -151.3 | 156.5 | 54.7 | 46.3 | -27.4 | 0 | 0 | 0 | 119.6 | |||||
| 134 | T | 40 | Very low | 40.4 | Very low | 124 Ų | 124 | 120.9 Ų | 120.9 | 76% | 0.761 | 74% | 0.737 | S | S | * | * | trans | 49.3 | 150.1 | 130.1 | 65.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 135 | S | 41.6 | Very low | 40.5 | Very low | 102 Ų | 102 | 124.7 Ų | 124.7 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | cis | -175.4 | 178.8 | -6.1 | -97.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 136 | Q | 43.7 | Very low | 41.2 | Very low | 186 Ų | 186 | 120.5 Ų | 120.5 | 87% | 0.869 | 72% | 0.724 | S | S | * | * | trans | 90.7 | 107.5 | 171.1 | -51.9 | -176.4 | 10.4 | 0 | 0 | 113.5 | ||||
| 137 | S | 38.9 | Very low | 41.5 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | 74.6 | 136.1 | 55.2 | -150.8 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 138 | A | 41.9 | Very low | 41.9 | Very low | 72 Ų | 72 | 123.7 Ų | 123.7 | 60% | 0.595 | 73% | 0.727 | S | S | * | * | cis | -165.1 | 166.3 | 23.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 139 | L | 38.6 | Very low | 41.7 | Very low | 149 Ų | 149 | 122 Ų | 122 | 78% | 0.78 | 73% | 0.725 | S | S | * | * | trans | 80.3 | 123.4 | 142.2 | -65.6 | 161.5 | 0 | 0 | 0 | 123.5 | ||||
| 140 | N | 39.1 | Very low | 42 | Very low | 128 Ų | 128 | 124 Ų | 124 | 68% | 0.684 | 73% | 0.728 | S | S | * | * | trans | 82.3 | 142.6 | 133.4 | -71.9 | 16.2 | 0 | 0 | 0 | 121.9 | ||||
| 141 | Q | 41.6 | Very low | 42.3 | Very low | 165 Ų | 165 | 125.1 Ų | 125.1 | 77% | 0.771 | 73% | 0.733 | S | S | * | * | cis | -166.1 | -178.8 | -23.5 | -121.3 | -150 | -52 | 0 | 0 | 108.5 | ||||
| 142 | P | 45.2 | Very low | 42.1 | Very low | 102 Ų | 102 | 127.8 Ų | 127.8 | 66% | 0.662 | 74% | 0.739 | S | S | * | * | trans | -128.8 | -135.8 | -141 | 43.4 | -21.5 | 0 | 0 | 0 | 114.1 | ||||
| 143 | S | 38.4 | Very low | 42 | Very low | 110 Ų | 110 | 127.3 Ų | 127.3 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | trans | 83.4 | 141 | 175.5 | -78.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 144 | V | 44.8 | Very low | 42 | Very low | 126 Ų | 126 | 126.3 Ų | 126.3 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | cis | -150.6 | 141.2 | -3.9 | -95.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 145 | N | 41.3 | Very low | 41.8 | Very low | 149 Ų | 149 | 126.3 Ų | 126.3 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | 72.8 | 151 | 66.4 | -111.9 | 31.2 | 0 | 0 | 0 | 115.7 | |||||
| 146 | P | 50.4 | Low | 41.7 | Very low | 89 Ų | 89 | 127.2 Ų | 127.2 | 58% | 0.578 | 74% | 0.739 | S | S | * | * | -147.7 | -163.9 | -59.1 | 42.8 | -23.5 | 0 | 0 | 0 | 115.8 | |||||
| 147 | L | 44.5 | Very low | 41.5 | Very low | 156 Ų | 156 | 124.4 Ų | 124.4 | 82% | 0.817 | 74% | 0.735 | S | S | * | * | trans | 80.4 | 156.2 | 151.4 | -100.1 | 49.2 | 0 | 0 | 0 | 120.4 | ||||
| 148 | P | 47.1 | Very low | 41.2 | Very low | 100 Ų | 100 | 123.6 Ų | 123.6 | 65% | 0.649 | 73% | 0.729 | S | S | * | * | cis | -149.8 | 169.5 | -48.4 | 39.2 | -19.3 | 0 | 0 | 0 | 119.2 | ||||
| 149 | S | 36.7 | Very low | 41 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | 48.5 | 134.2 | 139.2 | 68 | 0 | 0 | 0 | 0 | 124 | ||||
| 150 | L | 44.6 | Very low | 41 | Very low | 144 Ų | 144 | 127.7 Ų | 127.7 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | -170.9 | 135.6 | 104.6 | -146.6 | 60.7 | 0 | 0 | 0 | 114.5 | |||||
| 151 | L | 44.1 | Very low | 40.9 | Very low | 148 Ų | 148 | 124.4 Ų | 124.4 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | trans | 34.7 | 154.2 | 151.8 | -86 | 50.1 | 0 | 0 | 0 | 122.2 | ||||
| 152 | K | 38.3 | Very low | 40.6 | Very low | 192 Ų | 192 | 122.3 Ų | 122.3 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | cis | 179.6 | 169.6 | -23.7 | -114.3 | -152.5 | 77.3 | 168.2 | 0 | 105.9 | ||||
| 153 | P | 40.5 | Very low | 40.5 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | trans | -124.1 | 173.8 | -155.9 | 43.9 | -33.3 | 0 | 0 | 0 | 117.3 | ||||
| 154 | A | 39.9 | Very low | 40.5 | Very low | 84 Ų | 84 | 126.9 Ų | 126.9 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | trans | -163.3 | 114.3 | 150.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 155 | T | 36.4 | Very low | 40.5 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 77% | 0.767 | 76% | 0.758 | S | S | * | * | 52.8 | 122.8 | 85.5 | 66.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 156 | T | 40.1 | Very low | 40.4 | Very low | 120 Ų | 120 | 130.3 Ų | 130.3 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | cis | -160.6 | 163.9 | 41.6 | 39.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 157 | T | 38.5 | Very low | 39.7 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | trans | 54.2 | 105.7 | 150.4 | 50.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 158 | S | 33.7 | Very low | 39.4 | Very low | 100 Ų | 100 | 129 Ų | 129 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | 83.2 | 105.4 | 76.4 | -173.1 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 159 | N | 38 | Very low | 38.9 | Very low | 160 Ų | 160 | 131.2 Ų | 131.2 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | -167.5 | 161.1 | 113.2 | -99.8 | 15.1 | 0 | 0 | 0 | 111.8 | |||||
| 160 | V | 37.6 | Very low | 39.1 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | trans | -105.1 | 134.3 | -168.4 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 161 | G | 36.8 | Very low | 38.9 | Very low | 58 Ų | 58 | 130.2 Ų | 130.2 | 60% | 0.598 | 78% | 0.783 | S | S | * | * | trans | 84 | 131.6 | 135.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 162 | S | 35.8 | Very low | 38.7 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | 68.9 | 148.5 | 162.3 | 82.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 163 | S | 43.8 | Very low | 39.2 | Very low | 98 Ų | 98 | 127.3 Ų | 127.3 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | cis | -144.5 | 174.7 | 10.1 | -95.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 164 | F | 38.1 | Very low | 39 | Very low | 209 Ų | 209 | 128 Ų | 128 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | trans | -35.2 | 134.9 | 167.3 | -68.6 | -101.4 | 0 | 0 | 0 | 115.3 | ||||
| 165 | T | 43.7 | Very low | 39.2 | Very low | 135 Ų | 135 | 132.7 Ų | 132.7 | 83% | 0.828 | 80% | 0.796 | S | S | * | * | trans | -117 | 110.8 | 169.6 | -60.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 166 | F | 39 | Very low | 39.3 | Very low | 212 Ų | 212 | 131.1 Ų | 131.1 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | trans | -91.3 | 121.1 | 162.1 | -154.2 | -93.6 | 0 | 0 | 0 | 107.9 | ||||
| 167 | G | 35.6 | Very low | 39.2 | Very low | 57 Ų | 57 | 131.6 Ų | 131.6 | 59% | 0.588 | 79% | 0.793 | S | S | * | * | trans | -88.3 | 123.9 | -166 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 168 | L | 39.3 | Very low | 39.3 | Very low | 161 Ų | 161 | 131.4 Ų | 131.4 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -168.8 | 91.8 | 148.6 | -116.3 | 148.4 | 0 | 0 | 0 | 111.7 | ||||
| 169 | T | 36.3 | Very low | 39.8 | Very low | 146 Ų | 146 | 133 Ų | 133 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | trans | -138.8 | 98.7 | 164.6 | 43.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 170 | T | 40.3 | Very low | 40.2 | Very low | 129 Ų | 129 | 130.8 Ų | 130.8 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -75.4 | 138 | 162.7 | -62.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 171 | A | 40.3 | Very low | 40.6 | Very low | 95 Ų | 95 | 129 Ų | 129 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -66.4 | 142.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 172 | I | 40.9 | Very low | 40.7 | Very low | 157 Ų | 157 | 133.3 Ų | 133.3 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | trans | -107.8 | 131.9 | 164.4 | -64.9 | 173.4 | 0 | 0 | 0 | 107.7 | ||||
| 173 | S | 47.9 | Very low | 41.2 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -123.2 | 136.2 | 165.6 | -164.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 174 | T | 37.4 | Very low | 40.8 | Very low | 124 Ų | 124 | 138.7 Ų | 138.7 | 76% | 0.761 | 80% | 0.802 | S | S | * | * | trans | -96.1 | 131.1 | -165.3 | 48.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 175 | Q | 43.4 | Very low | 40.5 | Very low | 182 Ų | 182 | 131.8 Ų | 131.8 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | trans | -161.9 | 121.6 | 141 | -163.1 | 149.3 | 77.1 | 0 | 0 | 114.9 | ||||
| 176 | S | 39.1 | Very low | 40.2 | Very low | 92 Ų | 92 | 132.3 Ų | 132.3 | 64% | 0.643 | 79% | 0.793 | S | S | * | * | trans | 54.4 | 113.6 | 143.6 | -62 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 177 | T | 38 | Very low | 40 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | 96 | 140 | 116.4 | 59 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 178 | V | 41.3 | Very low | 40.1 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | 87.4 | 72.5 | 158.2 | -154.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 179 | T | 43.6 | Very low | 40.1 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | 58.2 | 155.7 | 128.3 | 44.7 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 180 | P | 46.3 | Very low | 40.3 | Very low | 113 Ų | 113 | 130.8 Ų | 130.8 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -105.5 | -173.7 | -151.4 | 47.4 | -39.6 | 0 | 0 | 0 | 112.6 | ||||
| 181 | P | 45.8 | Very low | 40.2 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | cis | -143.4 | 161.8 | 25 | 42.4 | -21.1 | 0 | 0 | 0 | 121.9 | ||||
| 182 | I | 39.3 | Very low | 40.1 | Very low | 150 Ų | 150 | 132 Ų | 132 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -4.9 | 127.9 | 149.4 | -45.1 | 173 | 0 | 0 | 0 | 115.6 | ||||
| 183 | S | 45.6 | Very low | 40.2 | Very low | 122 Ų | 122 | 129 Ų | 129 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -143.6 | 135 | 157.4 | -80 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 184 | F | 35.4 | Very low | 39.8 | Very low | 210 Ų | 210 | 129.7 Ų | 129.7 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | -95.1 | 138.3 | -176.9 | -117.5 | -101.4 | 0 | 0 | 0 | 110.7 | ||||
| 185 | G | 33.1 | Very low | 40.2 | Very low | 64 Ų | 64 | 127.8 Ų | 127.8 | 66% | 0.66 | 79% | 0.794 | S | S | * | * | trans | 88.7 | 124.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 186 | T | 37.5 | Very low | 40.1 | Very low | 147 Ų | 147 | 123.7 Ų | 123.7 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | -168.8 | 139.5 | 116.9 | 24.1 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 187 | L | 32.9 | Very low | 40.6 | Very low | 174 Ų | 174 | 124.8 Ų | 124.8 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | trans | -76.1 | 145.3 | 172.9 | -68.5 | 154.3 | 0 | 0 | 0 | 109.6 | ||||
| 188 | S | 39.2 | Very low | 40.6 | Very low | 126 Ų | 126 | 125.1 Ų | 125.1 | 88% | 0.881 | 80% | 0.798 | S | S | * | * | trans | -152.5 | 119.6 | 158.9 | -81.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 189 | S | 38.5 | Very low | 40.9 | Very low | 112 Ų | 112 | 123.7 Ų | 123.7 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | -96.2 | 152.1 | 179.8 | 61.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 190 | T | 40.5 | Very low | 40.6 | Very low | 132 Ų | 132 | 122.7 Ų | 122.7 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | -130.2 | 106 | 163.9 | -43 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 191 | T | 37.9 | Very low | 40.6 | Very low | 115 Ų | 115 | 125.5 Ų | 125.5 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | trans | -6.3 | 150 | 140.9 | 46.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 192 | V | 39.2 | Very low | 40.4 | Very low | 133 Ų | 133 | 125.9 Ų | 125.9 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | cis | -161.6 | 170.2 | 22.4 | -111.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 193 | S | 42.4 | Very low | 40.3 | Very low | 94 Ų | 94 | 125.8 Ų | 125.8 | 66% | 0.657 | 81% | 0.806 | S | S | * | * | cis | -169.4 | 134.6 | 41.5 | -155.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 194 | T | 39.7 | Very low | 39.8 | Very low | 137 Ų | 137 | 125.8 Ų | 125.8 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | trans | 46.3 | 123.9 | 137.2 | 59.4 | 0 | 0 | 0 | 0 | 125 | ||||
| 195 | G | 45.1 | Very low | 39.9 | Very low | 84 Ų | 84 | 124.4 Ų | 124.4 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | trans | 176.2 | 109.1 | 152.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 196 | A | 41.8 | Very low | 40.3 | Very low | 96 Ų | 96 | 125.2 Ų | 125.2 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | trans | -103.7 | -174.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 197 | P | 48.9 | Very low | 40.1 | Very low | 115 Ų | 115 | 123.8 Ų | 123.8 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | cis | -133.7 | 147.7 | 10 | 42.9 | -24.4 | 0 | 0 | 0 | 116.8 | ||||
| 198 | T | 39.1 | Very low | 40.4 | Very low | 137 Ų | 137 | 124.7 Ų | 124.7 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | 77.8 | 106.9 | 91.2 | -47.3 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 199 | A | 46.1 | Very low | 40.3 | Very low | 93 Ų | 93 | 124 Ų | 124 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | 158.2 | 93.5 | 142.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 200 | S | 38.5 | Very low | 40 | Very low | 113 Ų | 113 | 123.4 Ų | 123.4 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | 63.7 | 103 | 83.7 | -163.8 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 201 | I | 46.1 | Very low | 40 | Very low | 172 Ų | 172 | 124.7 Ų | 124.7 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | -170.7 | 156.7 | 127.5 | -93.2 | 155.7 | 0 | 0 | 0 | 109.2 | |||||
| 202 | V | 40.4 | Very low | 39.9 | Very low | 117 Ų | 117 | 124.4 Ų | 124.4 | 71% | 0.709 | 79% | 0.787 | S | S | * | * | trans | -108.7 | 133.9 | -161.6 | 173 | 0 | 0 | 0 | 0 | 113.3 | V204 | V202-V204 HydrophobicContact CG1-CG2 4.36Š| ||
| 203 | N | 37.9 | Very low | 39.8 | Very low | 149 Ų | 149 | 123.9 Ų | 123.9 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | 173.8 | 106.5 | 135.7 | -114.5 | 43 | 0 | 0 | 0 | 108.9 | ||||
| 204 | V | 35.9 | Very low | 39.5 | Very low | 121 Ų | 121 | 125 Ų | 125 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | 57.1 | 90.6 | 78.9 | -171.9 | 0 | 0 | 0 | 0 | 114.7 | V202 | V202-V204 HydrophobicContact CG1-CG2 4.36Š| |||
| 205 | H | 37.3 | Very low | 39.4 | Very low | 182 Ų | 182 | 127.1 Ų | 127.1 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | -159.5 | 147.8 | 121.7 | -165.5 | 63.9 | 0 | 0 | 0 | 112.9 | |||||
| 206 | A | 40.5 | Very low | 39 | Very low | 80 Ų | 80 | 126.2 Ų | 126.2 | 66% | 0.661 | 79% | 0.792 | S | S | * | * | trans | -0.5 | 115.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 207 | S | 33.8 | Very low | 38.7 | Very low | 117 Ų | 117 | 128 Ų | 128 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -85.2 | 144.7 | 155.9 | 52.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 208 | Q | 39.1 | Very low | 38.1 | Very low | 193 Ų | 193 | 125.1 Ų | 125.1 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | trans | -147.3 | 139.6 | 143.3 | -163 | 158 | -29.1 | 0 | 0 | 110 | ||||
| 209 | P | 38.1 | Very low | 38.2 | Very low | 111 Ų | 111 | 125.1 Ų | 125.1 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | trans | -101.5 | 166.5 | -156.3 | 38.9 | -35.8 | 0 | 0 | 0 | 115.1 | ||||
| 210 | A | 32.2 | Very low | 37.8 | Very low | 101 Ų | 101 | 126.1 Ų | 126.1 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | trans | -61.2 | 142.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 211 | I | 40.4 | Very low | 38.1 | Very low | 158 Ų | 158 | 126.2 Ų | 126.2 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | -108.4 | 133.2 | 173.3 | -54.8 | 171.5 | 0 | 0 | 0 | 107.1 | ||||
| 212 | P | 36.3 | Very low | 37.8 | Very low | 110 Ų | 110 | 121 Ų | 121 | 71% | 0.714 | 76% | 0.758 | S | S | * | * | trans | -75.7 | 141.1 | -175.3 | 30 | -35.2 | 0 | 0 | 0 | 112.9 | S214 | P212-S214 PolarHBondContact O-N 3.13Š| ||
| 213 | S | 36.1 | Very low | 37.9 | Very low | 122 Ų | 122 | 120.8 Ų | 120.8 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | trans | 14.1 | 93 | 150.9 | -47.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 214 | S | 36.6 | Very low | 38.1 | Very low | 116 Ų | 116 | 118.4 Ų | 118.4 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | trans | -88.9 | 139.5 | 154.6 | 51.1 | 0 | 0 | 0 | 0 | 110.1 | P212 G216 | P212-S214 PolarHBondContact O-N 3.13Å; S214-G216 PolarHBondContact O-N 2.82Å | ||
| 215 | I | 36.6 | Very low | 38.2 | Very low | 182 Ų | 182 | 118.4 Ų | 118.4 | 93% | 0.933 | 75% | 0.754 | S | S | * | * | trans | -81 | 102.5 | 176.9 | -62.4 | 172 | 0 | 0 | 0 | 107.1 | ||||
| 216 | G | 37.5 | Very low | 38.5 | Very low | 65 Ų | 65 | 115.1 Ų | 115.1 | 67% | 0.67 | 75% | 0.751 | S | S | * | * | trans | -113.2 | 121.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111 | S214 G218 | S214-G216 PolarHBondContact O-N 2.82Å; G216-G218 VanDerWaalsContact C-N 3.26Å; G216-G218 PolarHBondContact O-N 3.04Å | ||
| 217 | F | 34.6 | Very low | 38.5 | Very low | 133 Ų | 133 | 116.6 Ų | 116.6 | 58% | 0.583 | 76% | 0.756 | S | S | * | * | trans | -77.9 | 74.7 | 178.7 | -166.4 | -94.5 | 0 | 0 | 0 | 110 | L393 | F217-L393 HydrophobicContact CE1-CD1 4.2Å; F217-L393 HydrophobicContact CE1-CD2 4Å; F217-L393 HydrophobicContact CZ-CB 4.46Å; F217-L393 HydrophobicContact CZ-CD1 4.16Å; F217-L393 HydrophobicContact CZ-CD2 4.37Å | ||
| 218 | G | 36.9 | Very low | 38.7 | Very low | 55 Ų | 55 | 115.8 Ų | 115.8 | 57% | 0.567 | 76% | 0.757 | S | S | * | * | trans | -90.4 | 120.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G216 S220 | G216-G218 VanDerWaalsContact C-N 3.26Å; G216-G218 PolarHBondContact O-N 3.04Å; G218-S220 VanDerWaalsContact C-N 3.33Å; G218-S220 PolarHBondContact O-N 2.79Å; G218-S220 PolarHBondContact O-OG 3.3Å | ||
| 219 | V | 40.6 | Very low | 38.9 | Very low | 137 Ų | 137 | 114.2 Ų | 114.2 | 83% | 0.83 | 75% | 0.753 | S | S | * | * | trans | -60.2 | 88.6 | 173 | -76 | 0 | 0 | 0 | 0 | 111.3 | S221 | V219-S221 PolarHBondContact O-N 3.16Š| ||
| 220 | S | 37.7 | Very low | 38.9 | Very low | 115 Ų | 115 | 115.5 Ų | 115.5 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -77.2 | 98.9 | -175.6 | -65.9 | 0 | 0 | 0 | 0 | 110.3 | G218 A222 | G218-S220 VanDerWaalsContact C-N 3.33Å; G218-S220 PolarHBondContact O-N 2.79Å; G218-S220 PolarHBondContact O-OG 3.3Å; S220-A222 PolarHBondContact O-N 3.26Å | ||
| 221 | S | 45.4 | Very low | 39.5 | Very low | 114 Ų | 114 | 116.5 Ų | 116.5 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | -58 | 125.8 | 168.4 | -65.6 | 0 | 0 | 0 | 0 | 109.6 | V219 S223 | V219-S221 PolarHBondContact O-N 3.16Å; S221-S223 PolarHBondContact O-N 3.06Å; S221-S223 VanDerWaalsContact O-N 3.11Å | ||
| 222 | A | 40.2 | Very low | 39.4 | Very low | 63 Ų | 63 | 115.4 Ų | 115.4 | 52% | 0.521 | 76% | 0.761 | S | S | . | * | trans | -63.7 | 110.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S220 L224 I382 | S220-A222 PolarHBondContact O-N 3.26Å; A222-L224 PolarHBondContact O-N 2.85Å; A222-I382 HydrophobicContact CB-CD1 3.74Å; A222-I382 HydrophobicContact CB-CG1 4.46Å | ||
| 223 | S | 41.4 | Very low | 39.4 | Very low | 112 Ų | 112 | 114.6 Ų | 114.6 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | trans | -81.1 | 89 | 164.2 | 48.9 | 0 | 0 | 0 | 0 | 109.8 | S221 S225 | S221-S223 PolarHBondContact O-N 3.06Å; S221-S223 VanDerWaalsContact O-N 3.11Å; S223-S225 PolarHBondContact O-N 2.91Å; S223-S225 VanDerWaalsContact O-N 3.12Å | ||
| 224 | L | 42.3 | Very low | 39.6 | Very low | 100 Ų | 100 | 113.5 Ų | 113.5 | 52% | 0.524 | 76% | 0.762 | S | S | . | * | trans | -58.4 | 115.7 | 174.7 | -70.5 | 169.8 | 0 | 0 | 0 | 110.5 | A222 S226 L375 | A222-L224 PolarHBondContact O-N 2.85Å; L224-S226 PolarHBondContact O-N 2.92Å; L224-L375 HydrophobicContact CD1-CD2 4.45Å | ||
| 225 | S | 39.2 | Very low | 39.6 | Very low | 121 Ų | 121 | 114.1 Ų | 114.1 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | trans | -79.9 | 93.8 | 172.8 | -68.9 | 0 | 0 | 0 | 0 | 110.1 | S223 | S223-S225 PolarHBondContact O-N 2.91Å; S223-S225 VanDerWaalsContact O-N 3.12Å | ||
| 226 | S | 42.9 | Very low | 39.7 | Very low | 113 Ų | 113 | 113.1 Ų | 113.1 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | trans | -79.3 | 119.8 | 169 | 50 | 0 | 0 | 0 | 0 | 110.6 | L224 A228 | L224-S226 PolarHBondContact O-N 2.92Å; S226-A228 PolarHBondContact O-N 3.3Å | ||
| 227 | S | 40 | Very low | 39.5 | Very low | 110 Ų | 110 | 114 Ų | 114 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | -60.3 | 122.4 | -176.8 | -62.1 | 0 | 0 | 0 | 0 | 113.1 | I229 | S227-I229 PolarHBondContact O-N 3.16Å; S227-I229 VanDerWaalsContact O-N 3.1Å | ||
| 228 | A | 37.6 | Very low | 39.6 | Very low | 100 Ų | 100 | 115.8 Ų | 115.8 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | -73.8 | 96.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | S226 T230 | S226-A228 PolarHBondContact O-N 3.3Å; A228-T230 PolarHBondContact O-N 2.79Å | ||
| 229 | I | 45 | Very low | 39.6 | Very low | 160 Ų | 160 | 117.9 Ų | 117.9 | 82% | 0.821 | 77% | 0.771 | S | S | * | * | trans | -80.9 | 109.7 | 164.5 | 39.9 | 171 | 0 | 0 | 0 | 109.8 | S227 S231 | S227-I229 PolarHBondContact O-N 3.16Å; S227-I229 VanDerWaalsContact O-N 3.1Å; I229-S231 PolarHBondContact O-N 2.83Å | ||
| 230 | T | 37.7 | Very low | 39.4 | Very low | 139 Ų | 139 | 116.7 Ų | 116.7 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | -66.5 | 124.3 | 171.2 | 50 | 0 | 0 | 0 | 0 | 110.5 | A228 | A228-T230 PolarHBondContact O-N 2.79Š| ||
| 231 | S | 43.9 | Very low | 39.6 | Very low | 121 Ų | 121 | 121.8 Ų | 121.8 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | -132.5 | 128.1 | 162.9 | -165.4 | 0 | 0 | 0 | 0 | 110 | I229 | I229-S231 PolarHBondContact O-N 2.83Š| ||
| 232 | T | 40 | Very low | 39.3 | Very low | 136 Ų | 136 | 123.9 Ų | 123.9 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | -78.3 | 139.2 | -164.7 | -38.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 233 | A | 36.3 | Very low | 39.3 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -64.7 | 136.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 234 | A | 40 | Very low | 39.1 | Very low | 100 Ų | 100 | 128.1 Ų | 128.1 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | -124.8 | 95.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 235 | T | 35.3 | Very low | 38.8 | Very low | 129 Ų | 129 | 130.3 Ų | 130.3 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | -76.9 | 119.9 | 176.8 | -53.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 236 | I | 38.8 | Very low | 38.9 | Very low | 160 Ų | 160 | 130.3 Ų | 130.3 | 82% | 0.821 | 80% | 0.796 | S | S | * | * | trans | -126.2 | 121.1 | 157.3 | -60.4 | -178.1 | 0 | 0 | 0 | 107.7 | ||||
| 237 | A | 33.2 | Very low | 38.6 | Very low | 85 Ų | 85 | 129.4 Ų | 129.4 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | trans | -96 | 132.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 238 | M | 38 | Very low | 38.6 | Very low | 169 Ų | 169 | 132.6 Ų | 132.6 | 83% | 0.833 | 80% | 0.797 | S | S | * | * | trans | -135 | 101.7 | 156.9 | -65.4 | -169.3 | 85.8 | 0 | 0 | 106.2 | ||||
| 239 | T | 35.4 | Very low | 38.7 | Very low | 100 Ų | 100 | 132.6 Ų | 132.6 | 61% | 0.613 | 79% | 0.791 | S | S | * | * | 55.2 | 86.1 | 90.2 | 65.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 240 | S | 37.7 | Very low | 38.4 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | 35.8 | 109.3 | 130.1 | -48.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 241 | Y | 41.6 | Very low | 38.3 | Very low | 222 Ų | 222 | 132.8 Ų | 132.8 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | trans | -135 | 129 | 137.3 | -69.7 | -72.4 | 0 | 0 | 0 | 109.8 | ||||
| 242 | N | 38.9 | Very low | 37.8 | Very low | 158 Ų | 158 | 131.7 Ų | 131.7 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | -129.5 | 120.6 | 178.4 | -179 | 47.3 | 0 | 0 | 0 | 107.1 | ||||
| 243 | F | 39.7 | Very low | 37.7 | Very low | 196 Ų | 196 | 134.8 Ų | 134.8 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -140.9 | 134.2 | 180 | -106.9 | -83.9 | 0 | 0 | 0 | 111.2 | ||||
| 244 | G | 37.3 | Very low | 37.6 | Very low | 69 Ų | 69 | 135.9 Ų | 135.9 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | 78.5 | 75.3 | 143.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 245 | N | 37.1 | Very low | 37.6 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | trans | -61.1 | 140.6 | 144.2 | -170.4 | 24.6 | 0 | 0 | 0 | 108.3 | S247 | N245-S247 PolarHBondContact OD1-N 3.31Š| ||
| 246 | P | 41.4 | Very low | 37.7 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | -135 | 149.8 | 94.2 | 37.1 | -26.5 | 0 | 0 | 0 | 113.8 | |||||
| 247 | S | 36.7 | Very low | 37.8 | Very low | 94 Ų | 94 | 132 Ų | 132 | 66% | 0.657 | 80% | 0.799 | S | S | * | * | trans | -64.6 | 136.8 | 179.6 | 56.2 | 0 | 0 | 0 | 0 | 112.5 | N245 | N245-S247 PolarHBondContact OD1-N 3.31Š| ||
| 248 | L | 39 | Very low | 38.1 | Very low | 176 Ų | 176 | 134 Ų | 134 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -138.1 | 152.4 | 139.5 | -134.2 | 73.4 | 0 | 0 | 0 | 110.2 | ||||
| 249 | S | 39.9 | Very low | 38.3 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | trans | -87.4 | 170.2 | -159.6 | 53 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 250 | T | 37.8 | Very low | 38.4 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 80% | 0.798 | 82% | 0.82 | S | S | * | * | trans | 81.7 | 102.1 | 158.5 | 60.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 251 | L | 36 | Very low | 38.8 | Very low | 174 Ų | 174 | 132.6 Ų | 132.6 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | 74.4 | 93.4 | 126.9 | -152.6 | 71.1 | 0 | 0 | 0 | 119.5 | |||||
| 252 | A | 34.7 | Very low | 38.8 | Very low | 97 Ų | 97 | 128.2 Ų | 128.2 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | trans | -100.2 | 138.3 | 157.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 253 | K | 36.1 | Very low | 39 | Very low | 201 Ų | 201 | 125.6 Ų | 125.6 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -165.7 | 109 | 152.6 | -161.3 | 174.3 | -177 | 71.4 | 0 | 113.8 | ||||
| 254 | S | 35.6 | Very low | 39.1 | Very low | 116 Ų | 116 | 121.7 Ų | 121.7 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -168.4 | 100.9 | 147 | -163.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 255 | A | 39.6 | Very low | 39.2 | Very low | 93 Ų | 93 | 126.8 Ų | 126.8 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | 72.3 | 78.6 | 73.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 256 | A | 37.1 | Very low | 39.3 | Very low | 105 Ų | 105 | 123.2 Ų | 123.2 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | trans | -102.6 | 122.3 | 157.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 257 | A | 40.8 | Very low | 39.3 | Very low | 108 Ų | 108 | 124.7 Ų | 124.7 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | trans | -105.7 | 117.5 | 178 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 258 | S | 39.7 | Very low | 39.5 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | trans | -105.1 | 108.2 | 164.9 | 55.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 259 | G | 42.3 | Very low | 39.3 | Very low | 74 Ų | 74 | 122.3 Ų | 122.3 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | -157.5 | 82.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | G261 | G259-G261 PolarHBondContact O-N 3.14Š| ||
| 260 | F | 37.6 | Very low | 39.4 | Very low | 209 Ų | 209 | 128.8 Ų | 128.8 | 92% | 0.917 | 82% | 0.819 | S | S | * | * | trans | -70.9 | 115.8 | 178.1 | -169.9 | -96.6 | 0 | 0 | 0 | 109 | T262 | F260-T262 HydrophobicContact CE1-CG2 4.19Š| ||
| 261 | G | 45.3 | Very low | 39.5 | Very low | 67 Ų | 67 | 128.9 Ų | 128.9 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | trans | -145.4 | 121 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | G259 | G259-G261 PolarHBondContact O-N 3.14Š| ||
| 262 | T | 41.6 | Very low | 39.9 | Very low | 129 Ų | 129 | 129 Ų | 129 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | trans | -85.8 | 109.6 | -172.5 | 39.6 | 0 | 0 | 0 | 0 | 111.8 | F260 | F260-T262 HydrophobicContact CE1-CG2 4.19Š| ||
| 263 | S | 43.4 | Very low | 40.2 | Very low | 104 Ų | 104 | 127.4 Ų | 127.4 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -163.9 | 124.4 | 161.4 | 51.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 264 | S | 42.1 | Very low | 40.5 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | 20.8 | 105.1 | 157 | 60.5 | 0 | 0 | 0 | 0 | 119.6 | G266 | S264-G266 PolarHBondContact O-N 2.88Š| ||
| 265 | L | 38.8 | Very low | 40.5 | Very low | 175 Ų | 175 | 127.5 Ų | 127.5 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | trans | -78.4 | 92.8 | 161.2 | -87.6 | 148.3 | 0 | 0 | 0 | 111 | ||||
| 266 | G | 40.3 | Very low | 40.6 | Very low | 71 Ų | 71 | 127.2 Ų | 127.2 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | trans | -102.7 | 99.6 | 168 | 0 | 0 | 0 | 0 | 0 | 111.2 | S264 A268 | S264-G266 PolarHBondContact O-N 2.88Å; G266-A268 PolarHBondContact O-N 3.37Å | ||
| 267 | I | 40.9 | Very low | 40.6 | Very low | 152 Ų | 152 | 128.2 Ų | 128.2 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | trans | -85.1 | 112.4 | 176.9 | -60.3 | 175 | 0 | 0 | 0 | 109.1 | ||||
| 268 | A | 40.6 | Very low | 40.4 | Very low | 98 Ų | 98 | 129.2 Ų | 129.2 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | -119.5 | 120.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | G266 | G266-A268 PolarHBondContact O-N 3.37Š| ||
| 269 | T | 35.3 | Very low | 40.2 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -81.4 | 134 | -177.4 | 37.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 270 | R | 42.4 | Very low | 40 | Very low | 237 Ų | 237 | 129 Ų | 129 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | trans | -143.3 | 94.2 | 158.9 | -66.5 | -176.2 | 65.1 | -146.3 | -2.8 | 107.3 | ||||
| 271 | T | 38.9 | Very low | 40 | Very low | 131 Ų | 131 | 123.5 Ų | 123.5 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | 59.2 | 97.8 | 83 | -43.5 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 272 | L | 44.1 | Very low | 40.1 | Very low | 176 Ų | 176 | 128.8 Ų | 128.8 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -131.9 | 138 | 154.2 | -150.5 | 77.2 | 0 | 0 | 0 | 107.9 | ||||
| 273 | G | 41.1 | Very low | 40.1 | Very low | 64 Ų | 64 | 128.1 Ų | 128.1 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | trans | -93.8 | -179.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 274 | E | 42.1 | Very low | 40.2 | Very low | 186 Ų | 186 | 130 Ų | 130 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | trans | 69.9 | 88.6 | 168.7 | -66 | -173 | 120.4 | 0 | 0 | 118.7 | ||||
| 275 | T | 36.4 | Very low | 40.3 | Very low | 133 Ų | 133 | 129 Ų | 129 | 82% | 0.816 | 80% | 0.8 | S | S | * | * | 62.1 | 112.1 | 111.7 | -51.3 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 276 | A | 41.5 | Very low | 40.5 | Very low | 87 Ų | 87 | 129.9 Ų | 129.9 | 72% | 0.719 | 81% | 0.805 | S | S | * | * | trans | 85.5 | 118.4 | 148.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 277 | T | 37.5 | Very low | 40.2 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | 103.7 | 120.2 | 146.4 | -25.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 278 | T | 37 | Very low | 40.2 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | 64.9 | 95.3 | 159.9 | 38.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 279 | A | 35.2 | Very low | 40 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | 47.7 | 108.2 | 124.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 280 | A | 37.5 | Very low | 40.7 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | -177 | 122.3 | 101.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 281 | A | 38.9 | Very low | 40.6 | Very low | 93 Ų | 93 | 122.7 Ų | 122.7 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -94.5 | 129.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 282 | I | 47 | Very low | 40.7 | Very low | 178 Ų | 178 | 122.2 Ų | 122.2 | 91% | 0.913 | 78% | 0.78 | S | S | * | * | trans | -90.6 | 102.1 | 170.6 | -58.3 | 173.6 | 0 | 0 | 0 | 107 | ||||
| 283 | T | 41.3 | Very low | 40.4 | Very low | 115 Ų | 115 | 119.6 Ų | 119.6 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | -113.5 | 132.2 | 175.7 | -44.2 | 0 | 0 | 0 | 0 | 109.8 | S285 | T283-S285 PolarHBondContact O-N 3.32Š| ||
| 284 | T | 45.2 | Very low | 40.3 | Very low | 142 Ų | 142 | 122.1 Ų | 122.1 | 87% | 0.871 | 78% | 0.775 | S | S | * | * | trans | -58.5 | 116.9 | 172.7 | 46.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 285 | S | 43.3 | Very low | 40.1 | Very low | 95 Ų | 95 | 119.1 Ų | 119.1 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | trans | -154.5 | 110.8 | 158.2 | -175.3 | 0 | 0 | 0 | 0 | 109.8 | T283 | T283-S285 PolarHBondContact O-N 3.32Š| ||
| 286 | L | 43.4 | Very low | 40.3 | Very low | 192 Ų | 192 | 117.8 Ų | 117.8 | 100% | 1.005 | 77% | 0.765 | S | S | * | * | trans | -119.6 | 57.7 | 164.9 | -77.2 | 169.7 | 0 | 0 | 0 | 108.5 | ||||
| 287 | C | 34.9 | Very low | 40.8 | Very low | 93 Ų | 93 | 119.8 Ų | 119.8 | 63% | 0.628 | 76% | 0.762 | S | S | * | * | trans | -111.3 | 108.3 | 157.7 | -176.9 | 0 | 0 | 0 | 0 | 106.6 | T289 | C287-T289 PolarHBondContact O-N 2.88Š| ||
| 288 | A | 41.3 | Very low | 41.1 | Very low | 96 Ų | 96 | 119 Ų | 119 | 79% | 0.793 | 76% | 0.76 | S | S | * | * | trans | -71.2 | 84.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | I290 | A288-I290 PolarHBondContact O-N 3.49Å; A288-I290 VanDerWaalsContact O-N 3.09Å | ||
| 289 | T | 36 | Very low | 41.2 | Very low | 118 Ų | 118 | 117.7 Ų | 117.7 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | trans | -58.3 | 115.4 | 161.4 | -60.5 | 0 | 0 | 0 | 0 | 107.1 | C287 A291 | C287-T289 PolarHBondContact O-N 2.88Å; T289-A291 PolarHBondContact O-N 3.33Å | ||
| 290 | I | 50 | Low | 41.7 | Very low | 151 Ų | 151 | 117.1 Ų | 117.1 | 77% | 0.774 | 75% | 0.751 | S | S | * | * | trans | -65.1 | 87.3 | 167.8 | -61.8 | 170.6 | 0 | 0 | 0 | 106.4 | A288 T292 | A288-I290 PolarHBondContact O-N 3.49Å; A288-I290 VanDerWaalsContact O-N 3.09Å; I290-T292 PolarHBondContact O-N 3.03Å | ||
| 291 | A | 39.9 | Very low | 41.8 | Very low | 72 Ų | 72 | 117.1 Ų | 117.1 | 60% | 0.595 | 74% | 0.741 | S | S | * | * | trans | -65 | 112.3 | 157.3 | 0 | 0 | 0 | 0 | 0 | 105.4 | T289 T293 | T289-A291 PolarHBondContact O-N 3.33Å; A291-T293 PolarHBondContact O-N 3.41Å | ||
| 292 | T | 40.5 | Very low | 41.8 | Very low | 121 Ų | 121 | 118.6 Ų | 118.6 | 74% | 0.742 | 74% | 0.74 | S | S | * | * | trans | -60.7 | 85.5 | 165.9 | 46.7 | 0 | 0 | 0 | 0 | 108.3 | I290 T294 | I290-T292 PolarHBondContact O-N 3.03Å; T292-T294 PolarHBondContact O-N 2.97Å | ||
| 293 | T | 38.9 | Very low | 41.4 | Very low | 120 Ų | 120 | 116.1 Ų | 116.1 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | trans | -68.5 | 89.1 | 157.4 | 46.5 | 0 | 0 | 0 | 0 | 105.9 | A291 T295 | A291-T293 PolarHBondContact O-N 3.41Å; T293-T295 PolarHBondContact O-N 2.86Å | ||
| 294 | T | 38.9 | Very low | 41.4 | Very low | 118 Ų | 118 | 115.3 Ų | 115.3 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | trans | -50.9 | 115.3 | 150.6 | 42.7 | 0 | 0 | 0 | 0 | 105.6 | T292 S296 | T292-T294 PolarHBondContact O-N 2.97Å; T294-S296 PolarHBondContact O-N 2.8Å | ||
| 295 | T | 38.5 | Very low | 41.1 | Very low | 123 Ų | 123 | 114.3 Ų | 114.3 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | trans | -60.9 | 85.7 | 163.2 | 29.7 | 0 | 0 | 0 | 0 | 106.4 | T293 I297 | T293-T295 PolarHBondContact O-N 2.86Å; T295-I297 PolarHBondContact O-N 2.99Å | ||
| 296 | S | 39.5 | Very low | 41.3 | Very low | 104 Ų | 104 | 115.9 Ų | 115.9 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | -61.9 | 98 | 165 | 48.9 | 0 | 0 | 0 | 0 | 105.5 | T294 | T294-S296 PolarHBondContact O-N 2.8Š| ||
| 297 | I | 51.4 | Low | 41.1 | Very low | 129 Ų | 129 | 110.9 Ų | 110.9 | 66% | 0.662 | 72% | 0.718 | S | S | * | * | trans | -20.8 | 130.1 | 157.1 | -36.9 | 171.3 | 0 | 0 | 0 | 108.5 | T295 S299 | T295-I297 PolarHBondContact O-N 2.99Å; I297-S299 PolarHBondContact O-N 2.71Å | ||
| 298 | P | 44.4 | Very low | 41.4 | Very low | 112 Ų | 112 | 113.6 Ų | 113.6 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | -61.5 | 94.7 | 174.4 | 26.2 | -33.6 | 0 | 0 | 0 | 108.4 | A300 | P298-A300 PolarHBondContact O-N 2.99Š| ||
| 299 | S | 40.2 | Very low | 41.2 | Very low | 99 Ų | 99 | 113.8 Ų | 113.8 | 69% | 0.692 | 72% | 0.723 | S | S | * | * | trans | -68.2 | 89.3 | 170.9 | -175.5 | 0 | 0 | 0 | 0 | 106.1 | I297 T301 | I297-S299 PolarHBondContact O-N 2.71Å; S299-T301 PolarHBondContact O-N 2.9Å; S299-T301 PolarHBondContact O-OG1 3.38Å | ||
| 300 | A | 43.8 | Very low | 41.5 | Very low | 87 Ų | 87 | 113.1 Ų | 113.1 | 72% | 0.719 | 72% | 0.722 | S | S | * | * | trans | -60.1 | 85.4 | 170 | 0 | 0 | 0 | 0 | 0 | 107.6 | P298 T302 | P298-A300 PolarHBondContact O-N 2.99Å; A300-T302 PolarHBondContact O-N 3.5Å | ||
| 301 | T | 40.4 | Very low | 40.8 | Very low | 102 Ų | 102 | 111.9 Ų | 111.9 | 63% | 0.626 | 73% | 0.728 | S | S | * | * | trans | -79.6 | 64.9 | -176.6 | -55.1 | 0 | 0 | 0 | 0 | 108.2 | S299 T303 | S299-T301 PolarHBondContact O-N 2.9Å; S299-T301 PolarHBondContact O-OG1 3.38Å; T301-T303 VanDerWaalsContact C-N 3.27Å; T301-T303 HydrophobicContact CG2-CG2 3.89Å; T301-T303 PolarHBondContact O-N 2.92Å | ||
| 302 | T | 39.8 | Very low | 41.4 | Very low | 123 Ų | 123 | 116.2 Ų | 116.2 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | trans | -85.5 | 79.8 | 156.5 | 51.4 | 0 | 0 | 0 | 0 | 107.3 | A300 S304 | A300-T302 PolarHBondContact O-N 3.5Å; T302-S304 PolarHBondContact O-N 3.34Å | ||
| 303 | T | 37.6 | Very low | 42.1 | Very low | 126 Ų | 126 | 116.3 Ų | 116.3 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | trans | -68.1 | 67.7 | 164.8 | 44 | 0 | 0 | 0 | 0 | 110.1 | T301 S305 | T301-T303 VanDerWaalsContact C-N 3.27Å; T301-T303 HydrophobicContact CG2-CG2 3.89Å; T301-T303 PolarHBondContact O-N 2.92Å; T303-S305 PolarHBondContact O-N 2.97Å | ||
| 304 | S | 40.9 | Very low | 43.2 | Very low | 99 Ų | 99 | 115.5 Ų | 115.5 | 69% | 0.692 | 73% | 0.727 | S | S | * | * | trans | -72.5 | 105.1 | 156.7 | -79 | 0 | 0 | 0 | 0 | 107 | T302 V306 | T302-S304 PolarHBondContact O-N 3.34Å; S304-V306 VanDerWaalsContact C-N 3.32Å; S304-V306 PolarHBondContact O-N 3.09Å | ||
| 305 | S | 38.8 | Very low | 44.7 | Very low | 120 Ų | 120 | 113.8 Ų | 113.8 | 84% | 0.839 | 72% | 0.716 | S | S | * | * | trans | -64.8 | 87 | 177.5 | 54.6 | 0 | 0 | 0 | 0 | 110.9 | T303 S307 | T303-S305 PolarHBondContact O-N 2.97Å; S305-S307 PolarHBondContact O-N 2.84Å; S305-S307 VanDerWaalsContact O-N 3.16Å | ||
| 306 | V | 48.2 | Very low | 46.6 | Very low | 128 Ų | 128 | 116.3 Ų | 116.3 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | trans | -76.8 | 99.7 | 166 | -176.2 | 0 | 0 | 0 | 0 | 107.4 | S304 V308 | S304-V306 VanDerWaalsContact C-N 3.32Å; S304-V306 PolarHBondContact O-N 3.09Å; V306-V308 PolarHBondContact O-N 2.88Å; V306-V308 VanDerWaalsContact O-N 3.13Å | ||
| 307 | S | 40.1 | Very low | 48.5 | Very low | 87 Ų | 87 | 116.5 Ų | 116.5 | 61% | 0.608 | 71% | 0.706 | S | S | * | * | trans | -56.3 | 114.3 | 172.1 | 49 | 0 | 0 | 0 | 0 | 110.1 | S305 T309 | S305-S307 PolarHBondContact O-N 2.84Å; S305-S307 VanDerWaalsContact O-N 3.16Å; S307-T309 PolarHBondContact O-N 3.22Å | ||
| 308 | V | 40.4 | Very low | 50 | Low | 150 Ų | 150 | 114.9 Ų | 114.9 | 91% | 0.909 | 70% | 0.696 | S | S | * | * | trans | -70.6 | 78 | 173.9 | -77.3 | 0 | 0 | 0 | 0 | 110.7 | V306 | V306-V308 PolarHBondContact O-N 2.88Å; V306-V308 VanDerWaalsContact O-N 3.13Å | ||
| 309 | T | 36.6 | Very low | 52 | Low | 101 Ų | 101 | 113.8 Ų | 113.8 | 62% | 0.62 | 68% | 0.683 | S | S | * | * | trans | -128.4 | 132.1 | 172.3 | 51.7 | 0 | 0 | 0 | 0 | 109.7 | S307 | S307-T309 PolarHBondContact O-N 3.22Š| ||
| 310 | S | 41.9 | Very low | 54.2 | Low | 103 Ų | 103 | 113.5 Ų | 113.5 | 72% | 0.72 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 75.5 | 132.7 | -176.4 | 79 | 0 | 0 | 0 | 0 | 116.5 | Q312 | S310-Q312 PolarHBondContact O-N 2.68Å; S310-Q312 VanDerWaalsContact O-N 3.08Å |
| 311 | S | 36.6 | Very low | 56.3 | Low | 126 Ų | 126 | 116.1 Ų | 116.1 | 88% | 0.881 | 67% | 0.668 | S | S | * | * | trans | -71.4 | 92.8 | 174.1 | -175.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 312 | Q | 52 | Low | 58.7 | Low | 162 Ų | 162 | 114.9 Ų | 114.9 | 76% | 0.757 | 66% | 0.658 | S | S | * | * | trans | -93.4 | 112.4 | 175.3 | -63.6 | -153.4 | 91.5 | 0 | 0 | 109.7 | S310 L314 | S310-Q312 PolarHBondContact O-N 2.68Å; S310-Q312 VanDerWaalsContact O-N 3.08Å; Q312-L314 PolarHBondContact O-N 3.02Å | ||
| 313 | T | 55.5 | Low | 61 | Low | 124 Ų | 124 | 112.3 Ų | 112.3 | 76% | 0.761 | 64% | 0.642 | S | S | * | * | trans | -63.6 | 105.1 | 169.6 | 48.8 | 0 | 0 | 0 | 0 | 108.6 | T315 | T313-T315 PolarHBondContact O-N 3.24Å; T313-T315 VanDerWaalsContact O-N 3.16Å | ||
| 314 | L | 61.7 | Low | 63.6 | Low | 102 Ų | 102 | 111 Ų | 111 | 53% | 0.534 | 63% | 0.629 | S | S | . | * | trans | -53.1 | 123.5 | 171.2 | -68.5 | 175.1 | 0 | 0 | 0 | 108.4 | Q312 L322 | Q312-L314 PolarHBondContact O-N 3.02Å; L314-L322 HydrophobicContact CD1-CD1 4.47Å | ||
| 315 | T | 70.5 | Confident | 66.2 | Low | 83 Ų | 83 | 111.2 Ų | 111.2 | 51% | 0.509 | 62% | 0.618 | S | S | . | * | trans | -64.7 | 142.5 | 173.2 | -62.1 | 0 | 0 | 0 | 0 | 107.7 | T313 N317 Q318 L319 | T313-T315 PolarHBondContact O-N 3.24Å; T313-T315 VanDerWaalsContact O-N 3.16Å; T315-N317 HydrophobicContact CG2-CB 4.48Å; T315-N317 PolarHBondContact O-N 3.46Å; T315-Q318 WeakPolarHBondContact O-CA 3.39Å; T315-Q318 WeakPolarHBondContact O-CB 3.34Å; T315-Q318 PolarHBondContact O-N 3.43Å; T315-L319 PolarHBondContact O-N 3.47Å | ||
| 316 | Y | 77.6 | Confident | 68.9 | Low | 175 Ų | 175 | 113.2 Ų | 113.2 | 69% | 0.686 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -45.7 | -44 | -176.4 | -177.4 | -97.7 | 0 | 0 | 0 | 112.8 | Q318 L319 E320 | Y316-Q318 VanDerWaalsContact C-N 3.33Å; Y316-Q318 PolarHBondContact O-N 2.9Å; Y316-L319 PolarHBondContact O-N 3.13Å; Y316-L319 VanDerWaalsContact O-N 3.16Å; Y316-E320 PolarHBondContact O-N 3.27Å |
| 317 | N | 80.8 | Confident | 71 | Confident | 109 Ų | 109 | 110.2 Ų | 110.2 | 58% | 0.583 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -57.5 | -35.9 | 175.9 | -52.7 | -11.8 | 0 | 0 | 0 | 114.4 | T315 E321 | T315-N317 HydrophobicContact CG2-CB 4.48Å; T315-N317 PolarHBondContact O-N 3.46Å; N317-E321 WeakPolarHBondContact O-CB 3.14Å; N317-E321 PolarHBondContact O-N 2.89Å |
| 318 | Q | 82.4 | Confident | 73.6 | Confident | 94 Ų | 94 | 110.6 Ų | 110.6 | 44% | 0.439 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -75 | -34.3 | 178.6 | -63.9 | 175.9 | -60.1 | 0 | 0 | 111.7 | T315 Y316 L322 | T315-Q318 WeakPolarHBondContact O-CA 3.39Å; T315-Q318 WeakPolarHBondContact O-CB 3.34Å; T315-Q318 PolarHBondContact O-N 3.43Å; Y316-Q318 VanDerWaalsContact C-N 3.33Å; Y316-Q318 PolarHBondContact O-N 2.9Å; Q318-L322 WeakPolarHBondContact O-CB 3.47Å; Q318-L322 WeakPolarHBondContact O-CG 3.29Å; Q318-L322 PolarHBondContact O-N 2.73Å |
| 319 | L | 86.5 | Confident | 76.2 | Confident | 89 Ų | 89 | 107.6 Ų | 107.6 | 47% | 0.466 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.9 | -42 | 172 | -179.1 | 64 | 0 | 0 | 0 | 110.2 | T315 Y316 L322 V323 | T315-L319 PolarHBondContact O-N 3.47Å; Y316-L319 PolarHBondContact O-N 3.13Å; Y316-L319 VanDerWaalsContact O-N 3.16Å; L319-L322 PolarHBondContact O-N 2.83Å; L319-V323 HydrophobicContact CD1-CG2 4.46Å; L319-V323 WeakPolarHBondContact O-CB 3.48Å; L319-V323 VanDerWaalsContact O-CG2 3.28Å; L319-V323 WeakPolarHBondContact O-CG2 3.34Å; L319-V323 PolarHBondContact O-N 2.98Å |
| 320 | E | 85.7 | Confident | 79 | Confident | 94 Ų | 94 | 108.6 Ų | 108.6 | 44% | 0.439 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.7 | -42.3 | 174.6 | -172.1 | 173.3 | -169.7 | 0 | 0 | 111.9 | Y316 V323 N324 | Y316-E320 PolarHBondContact O-N 3.27Å; E320-V323 PolarHBondContact O-N 3.39Å; E320-N324 WeakPolarHBondContact O-CB 3.46Å; E320-N324 PolarHBondContact O-N 3.42Å; E320-N324 PolarHBondContact O-ND2 3.14Å; E320-N324 VanDerWaalsContact O-ND2 3.14Å |
| 321 | E | 89.1 | Confident | 81.5 | Confident | 142 Ų | 142 | 108.7 Ų | 108.7 | 66% | 0.664 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.2 | -42.1 | 173.9 | -172.8 | 174.9 | -165.3 | 0 | 0 | 112.6 | N317 N324 K325 | N317-E321 WeakPolarHBondContact O-CB 3.14Å; N317-E321 PolarHBondContact O-N 2.89Å; E321-N324 PolarHBondContact O-N 2.8Å; E321-K325 VanDerWaalsContact O-CB 3.29Å; E321-K325 WeakPolarHBondContact O-CB 3.28Å; E321-K325 PolarHBondContact O-N 3.12Å |
| 322 | L | 90.1 | Very high | 84.2 | Confident | 76 Ų | 76 | 106.5 Ų | 106.5 | 40% | 0.398 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.1 | -39.5 | 175.4 | -76 | 169.4 | 0 | 0 | 0 | 112.8 | L314 Q318 L319 K325 W326 | L314-L322 HydrophobicContact CD1-CD1 4.47Å; Q318-L322 WeakPolarHBondContact O-CB 3.47Å; Q318-L322 WeakPolarHBondContact O-CG 3.29Å; Q318-L322 PolarHBondContact O-N 2.73Å; L319-L322 PolarHBondContact O-N 2.83Å; L322-K325 WeakPolarHBondContact O-CB 3.27Å; L322-K325 PolarHBondContact O-N 2.66Å; L322-W326 PolarHBondContact O-N 3.43Å |
| 323 | V | 89 | Confident | 86.2 | Confident | 69 Ų | 69 | 103.4 Ų | 103.4 | 42% | 0.418 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64 | -48.8 | 174.4 | 168.7 | 0 | 0 | 0 | 0 | 109.9 | L319 E320 K325 W326 T327 | L319-V323 HydrophobicContact CD1-CG2 4.46Å; L319-V323 WeakPolarHBondContact O-CB 3.48Å; L319-V323 VanDerWaalsContact O-CG2 3.28Å; L319-V323 WeakPolarHBondContact O-CG2 3.34Å; L319-V323 PolarHBondContact O-N 2.98Å; E320-V323 PolarHBondContact O-N 3.39Å; V323-K325 VanDerWaalsContact C-N 3.27Å; V323-K325 PolarHBondContact O-N 2.85Å; V323-W326 PolarHBondContact O-N 3.29Å; V323-T327 WeakPolarHBondContact O-CB 3.25Å; V323-T327 PolarHBondContact O-N 2.92Å; V323-T327 PolarHBondContact O-OG1 2.65Å; V323-T327 VanDerWaalsContact O-OG1 3.09Å |
| 324 | N | 91.8 | Very high | 88 | Confident | 97 Ų | 97 | 102.8 Ų | 102.8 | 52% | 0.519 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.9 | -36.8 | 176 | -72.7 | -30.1 | 0 | 0 | 0 | 112.3 | E320 E321 L328 | E320-N324 WeakPolarHBondContact O-CB 3.46Å; E320-N324 PolarHBondContact O-N 3.42Å; E320-N324 PolarHBondContact O-ND2 3.14Å; E320-N324 VanDerWaalsContact O-ND2 3.14Å; E321-N324 PolarHBondContact O-N 2.8Å; N324-L328 WeakPolarHBondContact O-CB 3.31Å; N324-L328 PolarHBondContact O-N 3.02Å |
| 325 | K | 94.4 | Very high | 89.6 | Confident | 105 Ų | 105 | 106.8 Ų | 106.8 | 46% | 0.457 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.2 | -51.6 | 173.9 | 173.2 | 56.7 | 56.2 | 177.6 | 0 | 111.5 | E321 L322 V323 L328 E329 | E321-K325 VanDerWaalsContact O-CB 3.29Å; E321-K325 WeakPolarHBondContact O-CB 3.28Å; E321-K325 PolarHBondContact O-N 3.12Å; L322-K325 WeakPolarHBondContact O-CB 3.27Å; L322-K325 PolarHBondContact O-N 2.66Å; V323-K325 VanDerWaalsContact C-N 3.27Å; V323-K325 PolarHBondContact O-N 2.85Å; K325-L328 PolarHBondContact O-N 2.93Å; K325-E329 HydrophobicContact CD-CG 4.09Å; K325-E329 WeakPolarHBondContact CD-OE1 3.46Å; K325-E329 WeakPolarHBondContact O-CB 3.4Å; K325-E329 WeakPolarHBondContact O-CG 3.35Å; K325-E329 PolarHBondContact O-N 3.49Å |
| 326 | W | 95.6 | Very high | 90.8 | Very high | 162 Ų | 162 | 109 Ų | 109 | 61% | 0.614 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.2 | -34.1 | 178.2 | -69 | -17 | 0 | 0 | 0 | 113.1 | L322 V323 L330 | L322-W326 PolarHBondContact O-N 3.43Å; V323-W326 PolarHBondContact O-N 3.29Å; W326-L330 VanDerWaalsContact O-CB 3.31Å; W326-L330 WeakPolarHBondContact O-CB 3.37Å; W326-L330 VanDerWaalsContact O-CG 3.25Å; W326-L330 WeakPolarHBondContact O-CG 3.46Å; W326-L330 PolarHBondContact O-N 3.3Å |
| 327 | T | 93.4 | Very high | 91.6 | Very high | 64 Ų | 64 | 107.8 Ų | 107.8 | 39% | 0.393 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 172.6 | -63.1 | 0 | 0 | 0 | 0 | 111.1 | V323 L330 E331 | V323-T327 WeakPolarHBondContact O-CB 3.25Å; V323-T327 PolarHBondContact O-N 2.92Å; V323-T327 PolarHBondContact O-OG1 2.65Å; V323-T327 VanDerWaalsContact O-OG1 3.09Å; T327-L330 PolarHBondContact O-N 2.95Å; T327-E331 WeakPolarHBondContact O-CG 3.48Å; T327-E331 PolarHBondContact O-N 2.94Å |
| 328 | L | 94.2 | Very high | 92.3 | Very high | 96 Ų | 96 | 108.9 Ų | 108.9 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 177.6 | -170.4 | 153.9 | 0 | 0 | 0 | 112 | N324 K325 L330 E331 E332 | N324-L328 WeakPolarHBondContact O-CB 3.31Å; N324-L328 PolarHBondContact O-N 3.02Å; K325-L328 PolarHBondContact O-N 2.93Å; L328-L330 VanDerWaalsContact C-N 3.33Å; L328-L330 PolarHBondContact O-N 2.75Å; L328-E331 PolarHBondContact O-N 3.02Å; L328-E332 WeakPolarHBondContact O-CB 3.23Å; L328-E332 PolarHBondContact O-N 3.32Å |
| 329 | E | 95.7 | Very high | 92.9 | Very high | 87 Ų | 87 | 109.5 Ų | 109.5 | 41% | 0.407 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.1 | -37.9 | 173.5 | -75.2 | 173.1 | 177.2 | 0 | 0 | 111.7 | K325 E332 Q333 | K325-E329 HydrophobicContact CD-CG 4.09Å; K325-E329 WeakPolarHBondContact CD-OE1 3.46Å; K325-E329 WeakPolarHBondContact O-CB 3.4Å; K325-E329 WeakPolarHBondContact O-CG 3.35Å; K325-E329 PolarHBondContact O-N 3.49Å; E329-E332 PolarHBondContact O-N 3.36Å; E329-Q333 WeakPolarHBondContact O-CB 3.24Å; E329-Q333 VanDerWaalsContact O-CG 3.27Å; E329-Q333 WeakPolarHBondContact O-CG 3.25Å; E329-Q333 PolarHBondContact O-N 3.19Å |
| 330 | L | 94.6 | Very high | 93.3 | Very high | 122 Ų | 122 | 107.9 Ų | 107.9 | 64% | 0.639 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67 | -44.1 | 173.8 | -78.4 | 168.1 | 0 | 0 | 0 | 112.3 | W326 T327 L328 E332 Q333 E334 | W326-L330 VanDerWaalsContact O-CB 3.31Å; W326-L330 WeakPolarHBondContact O-CB 3.37Å; W326-L330 VanDerWaalsContact O-CG 3.25Å; W326-L330 WeakPolarHBondContact O-CG 3.46Å; W326-L330 PolarHBondContact O-N 3.3Å; T327-L330 PolarHBondContact O-N 2.95Å; L328-L330 VanDerWaalsContact C-N 3.33Å; L328-L330 PolarHBondContact O-N 2.75Å; L330-E332 VanDerWaalsContact C-N 3.3Å; L330-E332 PolarHBondContact O-N 2.93Å; L330-Q333 PolarHBondContact O-N 3.28Å; L330-E334 VanDerWaalsContact O-CB 3.24Å; L330-E334 WeakPolarHBondContact O-CB 3.25Å; L330-E334 PolarHBondContact O-N 3.41Å |
| 331 | E | 93.6 | Very high | 93.8 | Very high | 104 Ų | 104 | 105.4 Ų | 105.4 | 49% | 0.486 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.1 | -36.2 | 174.6 | -74.4 | 180 | -159.4 | 0 | 0 | 112.2 | T327 L328 R335 | T327-E331 WeakPolarHBondContact O-CG 3.48Å; T327-E331 PolarHBondContact O-N 2.94Å; L328-E331 PolarHBondContact O-N 3.02Å; E331-R335 PolarHBondContact O-N 3.41Å; E331-R335 VanDerWaalsContact O-N 3.13Å |
| 332 | E | 94.2 | Very high | 94.2 | Very high | 80 Ų | 80 | 102.5 Ų | 102.5 | 37% | 0.374 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71.3 | -45.8 | 175.7 | 178 | 168.2 | -158 | 0 | 0 | 111.8 | L328 E329 L330 E334 R335 Y336 | L328-E332 WeakPolarHBondContact O-CB 3.23Å; L328-E332 PolarHBondContact O-N 3.32Å; E329-E332 PolarHBondContact O-N 3.36Å; L330-E332 VanDerWaalsContact C-N 3.3Å; L330-E332 PolarHBondContact O-N 2.93Å; E332-E334 VanDerWaalsContact C-N 3.31Å; E332-E334 PolarHBondContact O-N 2.86Å; E332-R335 PolarHBondContact O-N 3.42Å; E332-Y336 HydrophobicContact CG-CD2 3.8Å; E332-Y336 HydrophobicContact CG-CE2 3.31Å; E332-Y336 VanDerWaalsContact O-CD2 3.23Å; E332-Y336 WeakPolarHBondContact O-CD2 3.27Å; E332-Y336 PolarHBondContact O-N 2.86Å; E332-Y336 VanDerWaalsContact OE1-CE2 3.27Å; E332-Y336 WeakPolarHBondContact OE1-CE2 3.42Å; E332-Y336 PolarHBondContact OE1-OH 2.78Å |
| 333 | Q | 94 | Very high | 94.5 | Very high | 97 Ų | 97 | 103.3 Ų | 103.3 | 45% | 0.453 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65 | -34 | 174.7 | -68.6 | -56.5 | -56.9 | 0 | 0 | 112.3 | E329 L330 Y336 F337 | E329-Q333 WeakPolarHBondContact O-CB 3.24Å; E329-Q333 VanDerWaalsContact O-CG 3.27Å; E329-Q333 WeakPolarHBondContact O-CG 3.25Å; E329-Q333 PolarHBondContact O-N 3.19Å; L330-Q333 PolarHBondContact O-N 3.28Å; Q333-Y336 PolarHBondContact O-N 3.26Å; Q333-F337 VanDerWaalsContact O-CB 3.25Å; Q333-F337 WeakPolarHBondContact O-CB 3.42Å; Q333-F337 PolarHBondContact O-N 2.85Å |
| 334 | E | 94.2 | Very high | 94.9 | Very high | 111 Ų | 111 | 104.4 Ų | 104.4 | 52% | 0.519 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61 | -46.1 | 172.2 | -179.6 | 175.4 | -165.7 | 0 | 0 | 110.8 | L330 E332 F337 F338 | L330-E334 VanDerWaalsContact O-CB 3.24Å; L330-E334 WeakPolarHBondContact O-CB 3.25Å; L330-E334 PolarHBondContact O-N 3.41Å; E332-E334 VanDerWaalsContact C-N 3.31Å; E332-E334 PolarHBondContact O-N 2.86Å; E334-F337 PolarHBondContact O-N 3.19Å; E334-F338 HydrophobicContact CG-CD2 3.78Å; E334-F338 HydrophobicContact CG-CE2 3.66Å; E334-F338 VanDerWaalsContact O-CD2 3.27Å; E334-F338 WeakPolarHBondContact O-CD2 3.4Å; E334-F338 PolarHBondContact O-N 3.43Å |
| 335 | R | 94.6 | Very high | 95.1 | Very high | 186 Ų | 186 | 103.4 Ų | 103.4 | 70% | 0.702 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.1 | -47.1 | 174.4 | -76.8 | -156.7 | -171.8 | 104.3 | 7.4 | 113 | E331 E332 F337 F338 D339 | E331-R335 PolarHBondContact O-N 3.41Å; E331-R335 VanDerWaalsContact O-N 3.13Å; E332-R335 PolarHBondContact O-N 3.42Å; R335-F337 VanDerWaalsContact C-N 3.28Å; R335-F337 PolarHBondContact O-N 2.74Å; R335-F338 PolarHBondContact O-N 2.98Å; R335-D339 PolarHBondContact O-N 3.33Å |
| 336 | Y | 95.1 | Very high | 95.3 | Very high | 131 Ų | 131 | 103.7 Ų | 103.7 | 51% | 0.514 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.7 | -35.5 | 177.5 | -70.8 | -56.8 | 0 | 0 | 0 | 112 | E332 Q333 D339 E340 | E332-Y336 HydrophobicContact CG-CD2 3.8Å; E332-Y336 HydrophobicContact CG-CE2 3.31Å; E332-Y336 VanDerWaalsContact O-CD2 3.23Å; E332-Y336 WeakPolarHBondContact O-CD2 3.27Å; E332-Y336 PolarHBondContact O-N 2.86Å; E332-Y336 VanDerWaalsContact OE1-CE2 3.27Å; E332-Y336 WeakPolarHBondContact OE1-CE2 3.42Å; E332-Y336 PolarHBondContact OE1-OH 2.78Å; Q333-Y336 PolarHBondContact O-N 3.26Å; Y336-D339 PolarHBondContact O-N 3.5Å; Y336-E340 VanDerWaalsContact O-CB 3.25Å; Y336-E340 WeakPolarHBondContact O-CB 3.27Å; Y336-E340 PolarHBondContact O-N 3.39Å |
| 337 | F | 94.9 | Very high | 95.3 | Very high | 149 Ų | 149 | 103.2 Ų | 103.2 | 65% | 0.654 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.4 | -40.4 | 175.7 | -176.2 | -96.7 | 0 | 0 | 0 | 112.1 | Q333 E334 R335 A341 | Q333-F337 VanDerWaalsContact O-CB 3.25Å; Q333-F337 WeakPolarHBondContact O-CB 3.42Å; Q333-F337 PolarHBondContact O-N 2.85Å; E334-F337 PolarHBondContact O-N 3.19Å; R335-F337 VanDerWaalsContact C-N 3.28Å; R335-F337 PolarHBondContact O-N 2.74Å; F337-A341 WeakPolarHBondContact O-CB 3.36Å; F337-A341 PolarHBondContact O-N 3.13Å |
| 338 | F | 95.4 | Very high | 95.5 | Very high | 132 Ų | 132 | 104 Ų | 104 | 58% | 0.579 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68 | -39.6 | 174.6 | -83.7 | -65.5 | 0 | 0 | 0 | 113.2 | E334 R335 A341 D342 | E334-F338 HydrophobicContact CG-CD2 3.78Å; E334-F338 HydrophobicContact CG-CE2 3.66Å; E334-F338 VanDerWaalsContact O-CD2 3.27Å; E334-F338 WeakPolarHBondContact O-CD2 3.4Å; E334-F338 PolarHBondContact O-N 3.43Å; R335-F338 PolarHBondContact O-N 2.98Å; F338-A341 PolarHBondContact O-N 2.94Å; F338-D342 PolarHBondContact O-N 3.44Å |
| 339 | D | 95.6 | Very high | 95.7 | Very high | 106 Ų | 106 | 104.2 Ų | 104.2 | 57% | 0.567 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.6 | -44.1 | 175.2 | -173 | 70.1 | 0 | 0 | 0 | 111.6 | R335 Y336 D342 R343 | R335-D339 PolarHBondContact O-N 3.33Å; Y336-D339 PolarHBondContact O-N 3.5Å; D339-D342 PolarHBondContact O-N 2.84Å; D339-R343 WeakPolarHBondContact O-CB 3.43Å; D339-R343 PolarHBondContact O-N 3.09Å |
| 340 | E | 95 | Very high | 95.7 | Very high | 55 Ų | 55 | 103.8 Ų | 103.8 | 26% | 0.257 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.6 | -41 | 174.4 | -173.1 | 65.3 | -133.1 | 0 | 0 | 111.7 | Y336 R343 I344 | Y336-E340 VanDerWaalsContact O-CB 3.25Å; Y336-E340 WeakPolarHBondContact O-CB 3.27Å; Y336-E340 PolarHBondContact O-N 3.39Å; E340-R343 PolarHBondContact O-N 3.38Å; E340-R343 IonicContact OE1-CZ 2.66Å; E340-R343 VanDerWaalsContact OE1-CZ 3.29Å; E340-R343 IonicContact OE1-NE 2.65Å; E340-R343 IonicContact OE1-NH2 3.09Å; E340-R343 PolarHBondContact OE1-NH2 3.01Å; E340-R343 IonicContact OE2-CZ 3.97Å; E340-R343 IonicContact OE2-NH1 3.12Å; E340-R343 PolarHBondContact OE2-NH1 2.88Å; E340-R343 VanDerWaalsContact OE2-NH1 3.12Å; E340-R343 IonicContact OE2-NH2 2.63Å; E340-R343 PolarHBondContact OE2-NH2 3.09Å; E340-I344 HydrophobicContact CG-CD1 3.94Å; E340-I344 WeakPolarHBondContact O-CB 3.23Å; E340-I344 VanDerWaalsContact O-CG1 3.23Å; E340-I344 WeakPolarHBondContact O-CG1 3.17Å; E340-I344 PolarHBondContact O-N 2.87Å |
| 341 | A | 96.4 | Very high | 95.8 | Very high | 42 Ų | 42 | 103.2 Ų | 103.2 | 35% | 0.347 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | F337 F338 I344 N345 | F337-A341 WeakPolarHBondContact O-CB 3.36Å; F337-A341 PolarHBondContact O-N 3.13Å; F338-A341 PolarHBondContact O-N 2.94Å; A341-I344 PolarHBondContact O-N 2.74Å; A341-N345 WeakPolarHBondContact O-CB 3.48Å; A341-N345 PolarHBondContact O-N 3.33Å |
| 342 | D | 96.4 | Very high | 96 | Very high | 81 Ų | 81 | 101.4 Ų | 101.4 | 43% | 0.433 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.7 | -40.7 | 174.4 | -168.5 | 64.7 | 0 | 0 | 0 | 111.5 | F338 D339 I344 N345 Q346 | F338-D342 PolarHBondContact O-N 3.44Å; D339-D342 PolarHBondContact O-N 2.84Å; D342-I344 PolarHBondContact O-N 2.78Å; D342-N345 WeakPolarHBondContact O-CB 3.44Å; D342-N345 PolarHBondContact O-N 3.34Å; D342-Q346 WeakPolarHBondContact O-CG 3.45Å; D342-Q346 PolarHBondContact O-N 3.14Å; D342-Q346 PolarHBondContact OD2-NE2 3.12Å |
| 343 | R | 97.2 | Very high | 96.1 | Very high | 93 Ų | 93 | 101 Ų | 101 | 35% | 0.351 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 173.8 | -167.5 | 177.5 | 79.7 | -144.1 | 4.5 | 112.3 | D339 E340 Q346 W347 | D339-R343 WeakPolarHBondContact O-CB 3.43Å; D339-R343 PolarHBondContact O-N 3.09Å; E340-R343 PolarHBondContact O-N 3.38Å; E340-R343 IonicContact OE1-CZ 2.66Å; E340-R343 VanDerWaalsContact OE1-CZ 3.29Å; E340-R343 IonicContact OE1-NE 2.65Å; E340-R343 IonicContact OE1-NH2 3.09Å; E340-R343 PolarHBondContact OE1-NH2 3.01Å; E340-R343 IonicContact OE2-CZ 3.97Å; E340-R343 IonicContact OE2-NH1 3.12Å; E340-R343 PolarHBondContact OE2-NH1 2.88Å; E340-R343 VanDerWaalsContact OE2-NH1 3.12Å; E340-R343 IonicContact OE2-NH2 2.63Å; E340-R343 PolarHBondContact OE2-NH2 3.09Å; R343-Q346 PolarHBondContact O-N 3.02Å; R343-W347 HydrophobicContact CG-CD2 4.26Å; R343-W347 HydrophobicContact CG-CH2 4.36Å; R343-W347 HydrophobicContact CG-CZ2 3.86Å; R343-W347 VanDerWaalsContact O-CG 3.3Å; R343-W347 PolarHBondContact O-N 2.98Å |
| 344 | I | 96.8 | Very high | 96.3 | Very high | 92 Ų | 92 | 100.4 Ų | 100.4 | 47% | 0.472 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 175 | -71.6 | 167.4 | 0 | 0 | 0 | 110.6 | E340 A341 D342 W347 D348 | E340-I344 HydrophobicContact CG-CD1 3.94Å; E340-I344 WeakPolarHBondContact O-CB 3.23Å; E340-I344 VanDerWaalsContact O-CG1 3.23Å; E340-I344 WeakPolarHBondContact O-CG1 3.17Å; E340-I344 PolarHBondContact O-N 2.87Å; A341-I344 PolarHBondContact O-N 2.74Å; D342-I344 PolarHBondContact O-N 2.78Å; I344-W347 PolarHBondContact O-N 3.09Å; I344-D348 WeakPolarHBondContact O-CB 3.38Å; I344-D348 PolarHBondContact O-N 3.08Å |
| 345 | N | 96.4 | Very high | 96.4 | Very high | 77 Ų | 77 | 97.3 Ų | 97.3 | 41% | 0.412 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.2 | -47 | 174.6 | -176.3 | 17.2 | 0 | 0 | 0 | 111.4 | A341 D342 W347 D348 Q349 | A341-N345 WeakPolarHBondContact O-CB 3.48Å; A341-N345 PolarHBondContact O-N 3.33Å; D342-N345 WeakPolarHBondContact O-CB 3.44Å; D342-N345 PolarHBondContact O-N 3.34Å; N345-W347 VanDerWaalsContact C-N 3.28Å; N345-W347 PolarHBondContact O-N 2.87Å; N345-D348 PolarHBondContact O-N 2.89Å; N345-D348 VanDerWaalsContact O-N 3.14Å; N345-Q349 WeakPolarHBondContact O-CG 3.33Å; N345-Q349 PolarHBondContact O-N 3.49Å; N345-Q349 PolarHBondContact OD1-NE2 3.41Å |
| 346 | Q | 97.3 | Very high | 96.5 | Very high | 110 Ų | 110 | 94.6 Ų | 94.6 | 51% | 0.514 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.9 | -38.4 | 174.9 | -68.7 | 177.7 | 47 | 0 | 0 | 112.5 | D342 R343 T350 | D342-Q346 WeakPolarHBondContact O-CG 3.45Å; D342-Q346 PolarHBondContact O-N 3.14Å; D342-Q346 PolarHBondContact OD2-NE2 3.12Å; R343-Q346 PolarHBondContact O-N 3.02Å; Q346-T350 WeakPolarHBondContact O-CB 3.46Å; Q346-T350 PolarHBondContact O-N 3.49Å; Q346-T350 VanDerWaalsContact O-N 3.08Å; Q346-T350 PolarHBondContact O-OG1 3.02Å |
| 347 | W | 96.6 | Very high | 96.6 | Very high | 153 Ų | 153 | 92.8 Ų | 92.8 | 58% | 0.58 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -69.2 | -38.7 | 174.4 | -69.3 | -9.9 | 0 | 0 | 0 | 112.8 | R343 I344 N345 T350 L351 | R343-W347 HydrophobicContact CG-CD2 4.26Å; R343-W347 HydrophobicContact CG-CH2 4.36Å; R343-W347 HydrophobicContact CG-CZ2 3.86Å; R343-W347 VanDerWaalsContact O-CG 3.3Å; R343-W347 PolarHBondContact O-N 2.98Å; I344-W347 PolarHBondContact O-N 3.09Å; N345-W347 VanDerWaalsContact C-N 3.28Å; N345-W347 PolarHBondContact O-N 2.87Å; W347-T350 PolarHBondContact O-N 2.83Å; W347-L351 WeakPolarHBondContact O-CB 3.31Å; W347-L351 PolarHBondContact O-N 3.35Å |
| 348 | D | 98 | Very high | 96.7 | Very high | 80 Ų | 80 | 91.1 Ų | 91.1 | 43% | 0.428 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.9 | -46.4 | 175.1 | -170.7 | 56.7 | 0 | 0 | 0 | 111.5 | I344 N345 T350 L351 I352 | I344-D348 WeakPolarHBondContact O-CB 3.38Å; I344-D348 PolarHBondContact O-N 3.08Å; N345-D348 PolarHBondContact O-N 2.89Å; N345-D348 VanDerWaalsContact O-N 3.14Å; D348-T350 VanDerWaalsContact C-N 3.3Å; D348-T350 PolarHBondContact O-N 3.49Å; D348-L351 WeakPolarHBondContact O-CB 3.38Å; D348-L351 PolarHBondContact O-N 3.16Å; D348-L351 VanDerWaalsContact O-N 3.09Å; D348-I352 VanDerWaalsContact O-CG1 3.31Å; D348-I352 WeakPolarHBondContact O-CG1 3.35Å; D348-I352 PolarHBondContact O-N 2.84Å |
| 349 | Q | 97.2 | Very high | 96.8 | Very high | 100 Ų | 100 | 88.4 Ų | 88.4 | 47% | 0.467 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -56.3 | -44.5 | 172.5 | -63.9 | -55 | -37 | 0 | 0 | 111.6 | N345 L351 I352 C353 | N345-Q349 WeakPolarHBondContact O-CG 3.33Å; N345-Q349 PolarHBondContact O-N 3.49Å; N345-Q349 PolarHBondContact OD1-NE2 3.41Å; Q349-L351 VanDerWaalsContact C-N 3.34Å; Q349-L351 PolarHBondContact O-N 3.42Å; Q349-I352 PolarHBondContact O-N 3.39Å; Q349-C353 PolarHBondContact O-N 3.3Å; Q349-C353 PolarHBondContact O-SG 2.84Å; Q349-C353 VanDerWaalsContact O-SG 3.35Å |
| 350 | T | 96.9 | Very high | 96.8 | Very high | 79 Ų | 79 | 85.6 Ų | 85.6 | 49% | 0.485 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 177.5 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | Q346 W347 D348 N354 | Q346-T350 WeakPolarHBondContact O-CB 3.46Å; Q346-T350 PolarHBondContact O-N 3.49Å; Q346-T350 VanDerWaalsContact O-N 3.08Å; Q346-T350 PolarHBondContact O-OG1 3.02Å; W347-T350 PolarHBondContact O-N 2.83Å; D348-T350 VanDerWaalsContact C-N 3.3Å; D348-T350 PolarHBondContact O-N 3.49Å; T350-N354 WeakPolarHBondContact O-CB 3.36Å; T350-N354 PolarHBondContact O-N 2.96Å; T350-N354 PolarHBondContact O-ND2 3.35Å; T350-N354 VanDerWaalsContact O-ND2 3.12Å |
| 351 | L | 97.2 | Very high | 96.8 | Very high | 110 Ų | 110 | 87.9 Ų | 87.9 | 58% | 0.576 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -66.6 | -42.2 | 176.2 | -176.1 | 149.7 | 0 | 0 | 0 | 111.5 | W347 D348 Q349 N354 A355 | W347-L351 WeakPolarHBondContact O-CB 3.31Å; W347-L351 PolarHBondContact O-N 3.35Å; D348-L351 WeakPolarHBondContact O-CB 3.38Å; D348-L351 PolarHBondContact O-N 3.16Å; D348-L351 VanDerWaalsContact O-N 3.09Å; Q349-L351 VanDerWaalsContact C-N 3.34Å; Q349-L351 PolarHBondContact O-N 3.42Å; L351-N354 PolarHBondContact O-N 3.31Å; L351-A355 WeakPolarHBondContact O-CB 3.38Å; L351-A355 PolarHBondContact O-N 3.46Å |
| 352 | I | 97.2 | Very high | 96.8 | Very high | 65 Ų | 65 | 93.3 Ų | 93.3 | 33% | 0.333 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.6 | -51.5 | 175.4 | -67.4 | 164.4 | 0 | 0 | 0 | 110.3 | D348 Q349 N354 A355 E356 | D348-I352 VanDerWaalsContact O-CG1 3.31Å; D348-I352 WeakPolarHBondContact O-CG1 3.35Å; D348-I352 PolarHBondContact O-N 2.84Å; Q349-I352 PolarHBondContact O-N 3.39Å; I352-N354 VanDerWaalsContact C-N 3.27Å; I352-N354 PolarHBondContact O-N 2.85Å; I352-A355 WeakPolarHBondContact O-CB 3.41Å; I352-A355 PolarHBondContact O-N 2.87Å; I352-E356 WeakPolarHBondContact O-CG 3.25Å; I352-E356 PolarHBondContact O-N 3.42Å |
| 353 | C | 96.7 | Very high | 96.8 | Very high | 71 Ų | 71 | 95.8 Ų | 95.8 | 48% | 0.48 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59 | -37.4 | 176.9 | -68.4 | 0 | 0 | 0 | 0 | 112.6 | Q349 N357 | Q349-C353 PolarHBondContact O-N 3.3Å; Q349-C353 PolarHBondContact O-SG 2.84Å; Q349-C353 VanDerWaalsContact O-SG 3.35Å; C353-N357 WeakPolarHBondContact O-CB 3.41Å; C353-N357 PolarHBondContact O-N 3.2Å |
| 354 | N | 96.6 | Very high | 96.8 | Very high | 86 Ų | 86 | 98 Ų | 98 | 46% | 0.46 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67 | -41.5 | 173.7 | -76.8 | -30.6 | 0 | 0 | 0 | 112 | T350 L351 I352 N357 I358 | T350-N354 WeakPolarHBondContact O-CB 3.36Å; T350-N354 PolarHBondContact O-N 2.96Å; T350-N354 PolarHBondContact O-ND2 3.35Å; T350-N354 VanDerWaalsContact O-ND2 3.12Å; L351-N354 PolarHBondContact O-N 3.31Å; I352-N354 VanDerWaalsContact C-N 3.27Å; I352-N354 PolarHBondContact O-N 2.85Å; N354-N357 PolarHBondContact O-N 3.35Å; N354-I358 WeakPolarHBondContact O-CB 3.38Å; N354-I358 WeakPolarHBondContact O-CD1 3.15Å; N354-I358 WeakPolarHBondContact O-CG1 3.35Å; N354-I358 PolarHBondContact O-N 2.93Å |
| 355 | A | 97.2 | Very high | 96.8 | Very high | 46 Ų | 46 | 98 Ų | 98 | 38% | 0.38 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L351 I352 T359 | L351-A355 WeakPolarHBondContact O-CB 3.38Å; L351-A355 PolarHBondContact O-N 3.46Å; I352-A355 WeakPolarHBondContact O-CB 3.41Å; I352-A355 PolarHBondContact O-N 2.87Å; A355-T359 WeakPolarHBondContact O-CB 3.19Å; A355-T359 PolarHBondContact O-N 2.88Å; A355-T359 PolarHBondContact O-OG1 3.2Å |
| 356 | E | 97.2 | Very high | 96.8 | Very high | 128 Ų | 128 | 99.3 Ų | 99.3 | 60% | 0.598 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.2 | -46.1 | 172.5 | -70.7 | -176.2 | 155.5 | 0 | 0 | 111.7 | I352 T359 A360 | I352-E356 WeakPolarHBondContact O-CG 3.25Å; I352-E356 PolarHBondContact O-N 3.42Å; E356-T359 WeakPolarHBondContact O-CB 3.34Å; E356-T359 PolarHBondContact O-N 3.05Å; E356-A360 WeakPolarHBondContact O-CB 3.35Å; E356-A360 PolarHBondContact O-N 3.34Å |
| 357 | N | 96.9 | Very high | 96.8 | Very high | 94 Ų | 94 | 100.1 Ų | 100.1 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64 | -43.8 | 177.3 | -172.5 | 20.5 | 0 | 0 | 0 | 111.9 | C353 N354 T359 A360 M361 | C353-N357 WeakPolarHBondContact O-CB 3.41Å; C353-N357 PolarHBondContact O-N 3.2Å; N354-N357 PolarHBondContact O-N 3.35Å; N357-T359 VanDerWaalsContact C-N 3.29Å; N357-T359 PolarHBondContact O-N 2.84Å; N357-A360 PolarHBondContact O-N 3.37Å; N357-M361 WeakPolarHBondContact O-CB 3.39Å; N357-M361 VanDerWaalsContact O-CG 3.24Å; N357-M361 WeakPolarHBondContact O-CG 3.41Å; N357-M361 PolarHBondContact O-N 3.28Å |
| 358 | I | 96.9 | Very high | 96.7 | Very high | 114 Ų | 114 | 96.5 Ų | 96.5 | 59% | 0.585 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.1 | -42.3 | 173.5 | -70.9 | 163.4 | 0 | 0 | 0 | 110.4 | N354 M361 Y362 | N354-I358 WeakPolarHBondContact O-CB 3.38Å; N354-I358 WeakPolarHBondContact O-CD1 3.15Å; N354-I358 WeakPolarHBondContact O-CG1 3.35Å; N354-I358 PolarHBondContact O-N 2.93Å; I358-M361 PolarHBondContact O-N 2.83Å; I358-Y362 WeakPolarHBondContact O-CB 3.44Å; I358-Y362 PolarHBondContact O-N 2.98Å |
| 359 | T | 96.6 | Very high | 96.6 | Very high | 75 Ų | 75 | 99.2 Ų | 99.2 | 46% | 0.46 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 176.9 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | A355 E356 N357 K363 | A355-T359 WeakPolarHBondContact O-CB 3.19Å; A355-T359 PolarHBondContact O-N 2.88Å; A355-T359 PolarHBondContact O-OG1 3.2Å; E356-T359 WeakPolarHBondContact O-CB 3.34Å; E356-T359 PolarHBondContact O-N 3.05Å; N357-T359 VanDerWaalsContact C-N 3.29Å; N357-T359 PolarHBondContact O-N 2.84Å; T359-K363 WeakPolarHBondContact O-CG 3.36Å; T359-K363 PolarHBondContact O-N 3.02Å; T359-K363 VanDerWaalsContact O-N 3.15Å |
| 360 | A | 96.6 | Very high | 96.5 | Very high | 46 Ų | 46 | 98.9 Ų | 98.9 | 38% | 0.38 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.2 | -39.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | E356 N357 K364 | E356-A360 WeakPolarHBondContact O-CB 3.35Å; E356-A360 PolarHBondContact O-N 3.34Å; N357-A360 PolarHBondContact O-N 3.37Å; A360-K364 WeakPolarHBondContact O-CG 3.48Å; A360-K364 PolarHBondContact O-N 3.4Å; A360-K364 VanDerWaalsContact O-N 3.16Å |
| 361 | M | 95.1 | Very high | 96.5 | Very high | 103 Ų | 103 | 100.2 Ų | 100.2 | 51% | 0.507 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 173.2 | -69.5 | -122.5 | 67.4 | 0 | 0 | 111.3 | N357 I358 K363 K364 V365 | N357-M361 WeakPolarHBondContact O-CB 3.39Å; N357-M361 VanDerWaalsContact O-CG 3.24Å; N357-M361 WeakPolarHBondContact O-CG 3.41Å; N357-M361 PolarHBondContact O-N 3.28Å; I358-M361 PolarHBondContact O-N 2.83Å; M361-K363 PolarHBondContact O-N 2.72Å; M361-K364 PolarHBondContact O-N 3.01Å; M361-K364 VanDerWaalsContact O-N 3.12Å; M361-V365 WeakPolarHBondContact O-CG2 3.33Å; M361-V365 PolarHBondContact O-N 3.32Å |
| 362 | Y | 96.8 | Very high | 96.4 | Very high | 156 Ų | 156 | 99.5 Ų | 99.5 | 61% | 0.612 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -56.8 | -48.4 | 176.2 | -176 | -84.9 | 0 | 0 | 0 | 111.5 | I358 K364 V365 E366 | I358-Y362 WeakPolarHBondContact O-CB 3.44Å; I358-Y362 PolarHBondContact O-N 2.98Å; Y362-K364 VanDerWaalsContact C-N 3.31Å; Y362-K364 PolarHBondContact O-N 2.84Å; Y362-V365 PolarHBondContact O-N 3.44Å; Y362-V365 VanDerWaalsContact O-N 3.13Å; Y362-E366 WeakPolarHBondContact O-CB 3.46Å; Y362-E366 PolarHBondContact O-N 3.26Å |
| 363 | K | 96.5 | Very high | 96.3 | Very high | 134 Ų | 134 | 98.7 Ų | 98.7 | 58% | 0.583 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.8 | -38.9 | 175.3 | -71.8 | 172.2 | -179.4 | 176.9 | 0 | 112.9 | T359 M361 M367 | T359-K363 WeakPolarHBondContact O-CG 3.36Å; T359-K363 PolarHBondContact O-N 3.02Å; T359-K363 VanDerWaalsContact O-N 3.15Å; M361-K363 PolarHBondContact O-N 2.72Å; K363-M367 WeakPolarHBondContact O-CB 3.4Å; K363-M367 PolarHBondContact O-N 3.23Å |
| 364 | K | 96.3 | Very high | 96.3 | Very high | 140 Ų | 140 | 101.2 Ų | 101.2 | 61% | 0.609 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.5 | -37.9 | 175.3 | -74 | 179.9 | 178 | -179.5 | 0 | 112.3 | A360 M361 Y362 C368 | A360-K364 WeakPolarHBondContact O-CG 3.48Å; A360-K364 PolarHBondContact O-N 3.4Å; A360-K364 VanDerWaalsContact O-N 3.16Å; M361-K364 PolarHBondContact O-N 3.01Å; M361-K364 VanDerWaalsContact O-N 3.12Å; Y362-K364 VanDerWaalsContact C-N 3.31Å; Y362-K364 PolarHBondContact O-N 2.84Å; K364-C368 VanDerWaalsContact O-CB 3.31Å; K364-C368 WeakPolarHBondContact O-CB 3.27Å; K364-C368 PolarHBondContact O-N 2.85Å |
| 365 | V | 97.1 | Very high | 96.3 | Very high | 90 Ų | 90 | 100 Ų | 100 | 55% | 0.545 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.1 | -42.9 | 176.1 | 171 | 0 | 0 | 0 | 0 | 111 | M361 Y362 C368 Q369 | M361-V365 WeakPolarHBondContact O-CG2 3.33Å; M361-V365 PolarHBondContact O-N 3.32Å; Y362-V365 PolarHBondContact O-N 3.44Å; Y362-V365 VanDerWaalsContact O-N 3.13Å; V365-C368 PolarHBondContact O-N 2.84Å; V365-Q369 WeakPolarHBondContact O-CB 3.15Å; V365-Q369 PolarHBondContact O-N 2.89Å |
| 366 | E | 96.4 | Very high | 96.3 | Very high | 106 Ų | 106 | 102.2 Ų | 102.2 | 50% | 0.495 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 174.7 | -177.6 | 174.5 | -137.5 | 0 | 0 | 111.7 | Y362 Q369 C370 | Y362-E366 WeakPolarHBondContact O-CB 3.46Å; Y362-E366 PolarHBondContact O-N 3.26Å; E366-Q369 PolarHBondContact O-N 2.94Å; E366-C370 WeakPolarHBondContact O-CB 3.36Å; E366-C370 PolarHBondContact O-N 3.19Å |
| 367 | M | 95.9 | Very high | 96.2 | Very high | 126 Ų | 126 | 102 Ų | 102 | 62% | 0.621 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.6 | -45.3 | 173.3 | -170.8 | -178.4 | 79.1 | 0 | 0 | 111.9 | K363 Q369 C370 E371 | K363-M367 WeakPolarHBondContact O-CB 3.4Å; K363-M367 PolarHBondContact O-N 3.23Å; M367-Q369 VanDerWaalsContact C-N 3.32Å; M367-Q369 PolarHBondContact O-N 3.48Å; M367-C370 WeakPolarHBondContact O-CB 3.31Å; M367-C370 PolarHBondContact O-N 2.87Å; M367-E371 PolarHBondContact O-N 3.41Å |
| 368 | C | 95.5 | Very high | 96.2 | Very high | 78 Ų | 78 | 99.8 Ų | 99.8 | 53% | 0.527 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.1 | -34.6 | 176.3 | -172.1 | 0 | 0 | 0 | 0 | 112.5 | K364 V365 Q372 | K364-C368 VanDerWaalsContact O-CB 3.31Å; K364-C368 WeakPolarHBondContact O-CB 3.27Å; K364-C368 PolarHBondContact O-N 2.85Å; V365-C368 PolarHBondContact O-N 2.84Å; C368-Q372 VanDerWaalsContact O-CB 3.26Å; C368-Q372 WeakPolarHBondContact O-CB 3.24Å; C368-Q372 PolarHBondContact O-N 3.23Å |
| 369 | Q | 96.2 | Very high | 96.1 | Very high | 136 Ų | 136 | 99.8 Ų | 99.8 | 64% | 0.636 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -70.1 | -39.7 | 175.9 | -174.6 | -179.8 | 13.4 | 0 | 0 | 111.4 | V365 E366 M367 Q372 S373 | V365-Q369 WeakPolarHBondContact O-CB 3.15Å; V365-Q369 PolarHBondContact O-N 2.89Å; E366-Q369 PolarHBondContact O-N 2.94Å; M367-Q369 VanDerWaalsContact C-N 3.32Å; M367-Q369 PolarHBondContact O-N 3.48Å; Q369-Q372 PolarHBondContact O-N 3.45Å; Q369-S373 WeakPolarHBondContact O-CB 3.47Å; Q369-S373 PolarHBondContact O-N 2.81Å |
| 370 | C | 95.5 | Very high | 96.1 | Very high | 93 Ų | 93 | 101.5 Ų | 101.5 | 63% | 0.628 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.7 | -44.7 | 173 | -171.9 | 0 | 0 | 0 | 0 | 111.2 | E366 M367 S373 R374 | E366-C370 WeakPolarHBondContact O-CB 3.36Å; E366-C370 PolarHBondContact O-N 3.19Å; M367-C370 WeakPolarHBondContact O-CB 3.31Å; M367-C370 PolarHBondContact O-N 2.87Å; C370-S373 PolarHBondContact O-N 3.23Å; C370-R374 WeakPolarHBondContact O-CB 3.38Å; C370-R374 PolarHBondContact O-N 2.92Å |
| 371 | E | 95.7 | Very high | 96 | Very high | 107 Ų | 107 | 105.4 Ų | 105.4 | 50% | 0.5 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 176 | -174 | 167.4 | -162.5 | 0 | 0 | 112.4 | M367 R374 L375 | M367-E371 PolarHBondContact O-N 3.41Å; E371-R374 WeakPolarHBondContact O-CB 3.36Å; E371-R374 PolarHBondContact O-N 2.71Å; E371-L375 WeakPolarHBondContact O-CG 3.34Å; E371-L375 PolarHBondContact O-N 3.26Å |
| 372 | Q | 95.3 | Very high | 96.1 | Very high | 96 Ų | 96 | 102.1 Ų | 102.1 | 45% | 0.449 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.5 | -46.7 | 173.9 | 177.8 | 60.1 | 34.7 | 0 | 0 | 111.7 | C368 Q369 R374 L375 E376 | C368-Q372 VanDerWaalsContact O-CB 3.26Å; C368-Q372 WeakPolarHBondContact O-CB 3.24Å; C368-Q372 PolarHBondContact O-N 3.23Å; Q369-Q372 PolarHBondContact O-N 3.45Å; Q372-R374 VanDerWaalsContact C-N 3.29Å; Q372-R374 PolarHBondContact O-N 3.4Å; Q372-L375 PolarHBondContact O-N 2.72Å; Q372-E376 WeakPolarHBondContact CG-OE1 3.49Å; Q372-E376 PolarHBondContact NE2-OE1 2.86Å; Q372-E376 WeakPolarHBondContact O-CG 3.43Å; Q372-E376 PolarHBondContact O-N 3.08Å |
| 373 | S | 96.1 | Very high | 96 | Very high | 48 Ų | 48 | 99.3 Ų | 99.3 | 34% | 0.336 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.8 | -30.7 | 177 | -170.8 | 0 | 0 | 0 | 0 | 112.6 | Q369 C370 Q377 | Q369-S373 WeakPolarHBondContact O-CB 3.47Å; Q369-S373 PolarHBondContact O-N 2.81Å; C370-S373 PolarHBondContact O-N 3.23Å; S373-Q377 VanDerWaalsContact O-CG 3.27Å; S373-Q377 WeakPolarHBondContact O-CG 3.47Å; S373-Q377 PolarHBondContact O-N 3.33Å; S373-Q377 PolarHBondContact O-NE2 2.82Å; S373-Q377 PolarHBondContact OG-NE2 2.76Å |
| 374 | R | 96.7 | Very high | 96 | Very high | 123 Ų | 123 | 94.5 Ų | 94.5 | 46% | 0.464 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.4 | -42.9 | 171.9 | -163.7 | -172.3 | 84.3 | 89.4 | 15.8 | 111.3 | C370 E371 Q372 Q377 E378 | C370-R374 WeakPolarHBondContact O-CB 3.38Å; C370-R374 PolarHBondContact O-N 2.92Å; E371-R374 WeakPolarHBondContact O-CB 3.36Å; E371-R374 PolarHBondContact O-N 2.71Å; Q372-R374 VanDerWaalsContact C-N 3.29Å; Q372-R374 PolarHBondContact O-N 3.4Å; R374-Q377 PolarHBondContact O-N 2.91Å; R374-E378 IonicContact CZ-OE1 3.69Å; R374-E378 IonicContact CZ-OE2 3.29Å; R374-E378 IonicContact NE-OE1 2.67Å; R374-E378 IonicContact NH1-OE1 3.15Å; R374-E378 PolarHBondContact NH1-OE1 3.4Å; R374-E378 IonicContact NH1-OE2 2.94Å; R374-E378 IonicContact NH2-OE1 3.06Å; R374-E378 PolarHBondContact NH2-OE1 2.83Å; R374-E378 VanDerWaalsContact NH2-OE1 3.15Å; R374-E378 IonicContact NH2-OE2 3.56Å; R374-E378 PolarHBondContact NH2-OE2 2.83Å; R374-E378 WeakPolarHBondContact O-CG 3.3Å; R374-E378 PolarHBondContact O-N 3.24Å |
| 375 | L | 96 | Very high | 95.9 | Very high | 60 Ų | 60 | 92 Ų | 92 | 31% | 0.314 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.8 | -38.3 | 175.9 | -70.8 | 172.2 | 0 | 0 | 0 | 112 | L224 E371 Q372 E378 L379 | L224-L375 HydrophobicContact CD1-CD2 4.45Å; E371-L375 WeakPolarHBondContact O-CG 3.34Å; E371-L375 PolarHBondContact O-N 3.26Å; Q372-L375 PolarHBondContact O-N 2.72Å; L375-E378 PolarHBondContact O-N 2.84Å; L375-L379 WeakPolarHBondContact O-CB 3.36Å; L375-L379 VanDerWaalsContact O-CG 3.28Å; L375-L379 WeakPolarHBondContact O-CG 3.39Å; L375-L379 PolarHBondContact O-N 3.49Å |
| 376 | E | 96.6 | Very high | 95.8 | Very high | 93 Ų | 93 | 93.5 Ų | 93.5 | 44% | 0.435 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.3 | -46.2 | 172.4 | -74.3 | 163.4 | -172 | 0 | 0 | 111.2 | Q372 E378 L379 D380 | Q372-E376 WeakPolarHBondContact CG-OE1 3.49Å; Q372-E376 PolarHBondContact NE2-OE1 2.86Å; Q372-E376 WeakPolarHBondContact O-CG 3.43Å; Q372-E376 PolarHBondContact O-N 3.08Å; E376-E378 PolarHBondContact O-N 2.83Å; E376-L379 PolarHBondContact O-N 3.25Å; E376-D380 WeakPolarHBondContact O-CB 3.22Å; E376-D380 PolarHBondContact O-N 3.37Å |
| 377 | Q | 96.2 | Very high | 95.7 | Very high | 124 Ų | 124 | 95.2 Ų | 95.2 | 58% | 0.579 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.2 | -37 | 174.9 | -70.6 | 166.2 | 46.1 | 0 | 0 | 113 | S373 R374 F381 | S373-Q377 VanDerWaalsContact O-CG 3.27Å; S373-Q377 WeakPolarHBondContact O-CG 3.47Å; S373-Q377 PolarHBondContact O-N 3.33Å; S373-Q377 PolarHBondContact O-NE2 2.82Å; S373-Q377 PolarHBondContact OG-NE2 2.76Å; R374-Q377 PolarHBondContact O-N 2.91Å; Q377-F381 VanDerWaalsContact O-CB 3.26Å; Q377-F381 WeakPolarHBondContact O-CB 3.17Å; Q377-F381 PolarHBondContact O-N 2.87Å |
| 378 | E | 95.8 | Very high | 95.6 | Very high | 48 Ų | 48 | 95.9 Ų | 95.9 | 22% | 0.224 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -68.4 | -36.6 | 174.8 | -76.3 | 177.5 | 173.7 | 0 | 0 | 111.7 | R374 L375 E376 I382 | R374-E378 IonicContact CZ-OE1 3.69Å; R374-E378 IonicContact CZ-OE2 3.29Å; R374-E378 IonicContact NE-OE1 2.67Å; R374-E378 IonicContact NH1-OE1 3.15Å; R374-E378 PolarHBondContact NH1-OE1 3.4Å; R374-E378 IonicContact NH1-OE2 2.94Å; R374-E378 IonicContact NH2-OE1 3.06Å; R374-E378 PolarHBondContact NH2-OE1 2.83Å; R374-E378 VanDerWaalsContact NH2-OE1 3.15Å; R374-E378 IonicContact NH2-OE2 3.56Å; R374-E378 PolarHBondContact NH2-OE2 2.83Å; R374-E378 WeakPolarHBondContact O-CG 3.3Å; R374-E378 PolarHBondContact O-N 3.24Å; L375-E378 PolarHBondContact O-N 2.84Å; E376-E378 PolarHBondContact O-N 2.83Å; E378-I382 WeakPolarHBondContact O-CB 3.3Å; E378-I382 WeakPolarHBondContact O-CD1 3.37Å; E378-I382 WeakPolarHBondContact O-CG1 3.29Å; E378-I382 PolarHBondContact O-N 2.89Å |
| 379 | L | 96 | Very high | 95.5 | Very high | 113 Ų | 113 | 96.5 Ų | 96.5 | 59% | 0.592 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -70.4 | -45 | 174.7 | -73 | 171.2 | 0 | 0 | 0 | 112.2 | L375 E376 F381 I382 E383 | L375-L379 WeakPolarHBondContact O-CB 3.36Å; L375-L379 VanDerWaalsContact O-CG 3.28Å; L375-L379 WeakPolarHBondContact O-CG 3.39Å; L375-L379 PolarHBondContact O-N 3.49Å; E376-L379 PolarHBondContact O-N 3.25Å; L379-F381 PolarHBondContact O-N 3.13Å; L379-I382 PolarHBondContact O-N 2.76Å; L379-E383 PolarHBondContact O-N 3.44Å |
| 380 | D | 96.4 | Very high | 95.4 | Very high | 112 Ų | 112 | 96.5 Ų | 96.5 | 60% | 0.599 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -58.7 | -38.7 | 173.6 | -76.8 | -11.4 | 0 | 0 | 0 | 111.1 | E376 G384 | E376-D380 WeakPolarHBondContact O-CB 3.22Å; E376-D380 PolarHBondContact O-N 3.37Å; D380-G384 PolarHBondContact O-N 3.16Å |
| 381 | F | 95.1 | Very high | 95.3 | Very high | 128 Ų | 128 | 95.8 Ų | 95.8 | 56% | 0.561 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.1 | -44.3 | 175.1 | 179.3 | -102.4 | 0 | 0 | 0 | 112.1 | Q377 L379 G384 Q385 | Q377-F381 VanDerWaalsContact O-CB 3.26Å; Q377-F381 WeakPolarHBondContact O-CB 3.17Å; Q377-F381 PolarHBondContact O-N 2.87Å; L379-F381 PolarHBondContact O-N 3.13Å; F381-G384 PolarHBondContact O-N 3.12Å; F381-Q385 HydrophobicContact CD1-CG 4.43Å; F381-Q385 HydrophobicContact CE1-CG 4.07Å; F381-Q385 HydrophobicContact CE2-CG 4.5Å; F381-Q385 HydrophobicContact CZ-CG 4.1Å; F381-Q385 WeakPolarHBondContact O-CG 3.16Å; F381-Q385 PolarHBondContact O-N 3.35Å |
| 382 | I | 96.6 | Very high | 95.1 | Very high | 34 Ų | 34 | 95.7 Ų | 95.7 | 17% | 0.174 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -65 | -41.3 | 176.2 | -70.5 | 162.5 | 0 | 0 | 0 | 111.1 | A222 E378 L379 G384 Q385 Q386 | A222-I382 HydrophobicContact CB-CD1 3.74Å; A222-I382 HydrophobicContact CB-CG1 4.46Å; E378-I382 WeakPolarHBondContact O-CB 3.3Å; E378-I382 WeakPolarHBondContact O-CD1 3.37Å; E378-I382 WeakPolarHBondContact O-CG1 3.29Å; E378-I382 PolarHBondContact O-N 2.89Å; L379-I382 PolarHBondContact O-N 2.76Å; I382-G384 VanDerWaalsContact C-N 3.32Å; I382-Q385 PolarHBondContact O-N 3.15Å; I382-Q386 HydrophobicContact CG2-CG 4.46Å; I382-Q386 WeakPolarHBondContact O-CB 3.49Å; I382-Q386 WeakPolarHBondContact O-CG 3.39Å; I382-Q386 PolarHBondContact O-N 2.87Å |
| 383 | E | 95.2 | Very high | 95 | Very high | 97 Ų | 97 | 93.6 Ų | 93.6 | 45% | 0.453 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 174.3 | -164.3 | -165 | 157.9 | 0 | 0 | 110.7 | L379 Q385 Q386 R387 | L379-E383 PolarHBondContact O-N 3.44Å; E383-Q385 PolarHBondContact O-N 2.86Å; E383-Q386 PolarHBondContact O-N 2.95Å; E383-R387 VanDerWaalsContact CD-NH2 3.31Å; E383-R387 WeakPolarHBondContact O-CB 3.47Å; E383-R387 PolarHBondContact O-N 3.45Å; E383-R387 IonicContact OE1-CZ 3.85Å; E383-R387 IonicContact OE1-NH2 3.98Å; E383-R387 PolarHBondContact OE1-NH2 3.43Å; E383-R387 IonicContact OE2-NH2 2.61Å |
| 384 | G | 95.4 | Very high | 94.7 | Very high | 32 Ų | 32 | 96.1 Ų | 96.1 | 33% | 0.33 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.2 | -46.8 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | D380 F381 I382 R387 E388 | D380-G384 PolarHBondContact O-N 3.16Å; F381-G384 PolarHBondContact O-N 3.12Å; I382-G384 VanDerWaalsContact C-N 3.32Å; G384-R387 PolarHBondContact O-N 2.83Å; G384-E388 WeakPolarHBondContact O-CB 3.31Å; G384-E388 PolarHBondContact O-N 2.82Å |
| 385 | Q | 94.7 | Very high | 94.3 | Very high | 89 Ų | 89 | 93.5 Ų | 93.5 | 42% | 0.416 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 175.8 | -72.8 | -172.3 | -42.1 | 0 | 0 | 112.6 | F381 I382 E383 E388 L389 | F381-Q385 HydrophobicContact CD1-CG 4.43Å; F381-Q385 HydrophobicContact CE1-CG 4.07Å; F381-Q385 HydrophobicContact CE2-CG 4.5Å; F381-Q385 HydrophobicContact CZ-CG 4.1Å; F381-Q385 WeakPolarHBondContact O-CG 3.16Å; F381-Q385 PolarHBondContact O-N 3.35Å; I382-Q385 PolarHBondContact O-N 3.15Å; E383-Q385 PolarHBondContact O-N 2.86Å; Q385-E388 PolarHBondContact O-N 2.99Å; Q385-L389 WeakPolarHBondContact O-CB 3.33Å; Q385-L389 VanDerWaalsContact O-CG 3.28Å; Q385-L389 WeakPolarHBondContact O-CG 3.45Å; Q385-L389 PolarHBondContact O-N 2.94Å |
| 386 | Q | 94.5 | Very high | 93.9 | Very high | 120 Ų | 120 | 95 Ų | 95 | 56% | 0.561 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.1 | -44.2 | 176.1 | -75.2 | 176.1 | -5.5 | 0 | 0 | 111.1 | I382 E383 L389 E390 | I382-Q386 HydrophobicContact CG2-CG 4.46Å; I382-Q386 WeakPolarHBondContact O-CB 3.49Å; I382-Q386 WeakPolarHBondContact O-CG 3.39Å; I382-Q386 PolarHBondContact O-N 2.87Å; E383-Q386 PolarHBondContact O-N 2.95Å; Q386-L389 PolarHBondContact O-N 3.26Å; Q386-E390 WeakPolarHBondContact O-CB 3.14Å; Q386-E390 PolarHBondContact O-N 3.45Å |
| 387 | R | 94.9 | Very high | 93.5 | Very high | 142 Ų | 142 | 95.4 Ų | 95.4 | 54% | 0.536 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.1 | -35 | 177.2 | -162.4 | -174.9 | -59 | 144.6 | -0.4 | 112.6 | E383 G384 S391 | E383-R387 VanDerWaalsContact CD-NH2 3.31Å; E383-R387 WeakPolarHBondContact O-CB 3.47Å; E383-R387 PolarHBondContact O-N 3.45Å; E383-R387 IonicContact OE1-CZ 3.85Å; E383-R387 IonicContact OE1-NH2 3.98Å; E383-R387 PolarHBondContact OE1-NH2 3.43Å; E383-R387 IonicContact OE2-NH2 2.61Å; G384-R387 PolarHBondContact O-N 2.83Å; R387-S391 WeakPolarHBondContact O-CB 3.4Å; R387-S391 PolarHBondContact O-N 3.47Å |
| 388 | E | 93.1 | Very high | 93.1 | Very high | 140 Ų | 140 | 95.6 Ų | 95.6 | 65% | 0.654 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67 | -41.8 | 172.6 | -174.2 | 175.6 | -172.7 | 0 | 0 | 111.4 | G384 Q385 S391 L392 | G384-E388 WeakPolarHBondContact O-CB 3.31Å; G384-E388 PolarHBondContact O-N 2.82Å; Q385-E388 PolarHBondContact O-N 2.99Å; E388-S391 PolarHBondContact O-N 3.4Å; E388-L392 VanDerWaalsContact O-CB 3.32Å; E388-L392 WeakPolarHBondContact O-CB 3.45Å; E388-L392 PolarHBondContact O-N 3.06Å |
| 389 | L | 93.5 | Very high | 92.6 | Very high | 91 Ų | 91 | 96 Ų | 96 | 48% | 0.476 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 175.6 | -74.2 | 167.5 | 0 | 0 | 0 | 112.4 | Q385 Q386 L392 L393 | Q385-L389 WeakPolarHBondContact O-CB 3.33Å; Q385-L389 VanDerWaalsContact O-CG 3.28Å; Q385-L389 WeakPolarHBondContact O-CG 3.45Å; Q385-L389 PolarHBondContact O-N 2.94Å; Q386-L389 PolarHBondContact O-N 3.26Å; L389-L392 PolarHBondContact O-N 2.81Å; L389-L393 VanDerWaalsContact O-CB 3.28Å; L389-L393 WeakPolarHBondContact O-CB 3.32Å; L389-L393 PolarHBondContact O-N 3.5Å |
| 390 | E | 94.1 | Very high | 92 | Very high | 136 Ų | 136 | 95.6 Ų | 95.6 | 64% | 0.636 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.3 | -45.3 | 173.9 | -173.8 | 177.2 | -161.6 | 0 | 0 | 111.2 | Q386 L392 L393 E394 | Q386-E390 WeakPolarHBondContact O-CB 3.14Å; Q386-E390 PolarHBondContact O-N 3.45Å; E390-L392 VanDerWaalsContact C-N 3.27Å; E390-L392 PolarHBondContact O-N 2.69Å; E390-L393 PolarHBondContact O-N 2.78Å; E390-L393 VanDerWaalsContact O-N 3.1Å; E390-E394 PolarHBondContact O-N 2.94Å |
| 391 | S | 92.7 | Very high | 91.2 | Very high | 79 Ų | 79 | 96.8 Ų | 96.8 | 55% | 0.552 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.4 | -27.9 | 174.5 | -178.8 | 0 | 0 | 0 | 0 | 113.4 | R387 E388 P395 | R387-S391 WeakPolarHBondContact O-CB 3.4Å; R387-S391 PolarHBondContact O-N 3.47Å; E388-S391 PolarHBondContact O-N 3.4Å; S391-P395 WeakPolarHBondContact O-CD 3.38Å; S391-P395 WeakPolarHBondContact O-CG 3.25Å |
| 392 | L | 92.9 | Very high | 90.5 | Very high | 105 Ų | 105 | 98 Ų | 98 | 55% | 0.55 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -82.8 | -29.5 | 172.4 | -178 | 61.1 | 0 | 0 | 0 | 112.3 | E388 L389 E390 P395 L396 | E388-L392 VanDerWaalsContact O-CB 3.32Å; E388-L392 WeakPolarHBondContact O-CB 3.45Å; E388-L392 PolarHBondContact O-N 3.06Å; L389-L392 PolarHBondContact O-N 2.81Å; E390-L392 VanDerWaalsContact C-N 3.27Å; E390-L392 PolarHBondContact O-N 2.69Å; L392-P395 WeakPolarHBondContact O-CD 3.26Å; L392-L396 HydrophobicContact CG-CD1 4.48Å; L392-L396 WeakPolarHBondContact O-CD1 3.46Å; L392-L396 WeakPolarHBondContact O-CG 3.26Å |
| 393 | L | 91.9 | Very high | 89.4 | Confident | 51 Ų | 51 | 102.3 Ų | 102.3 | 27% | 0.267 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -72.2 | -41.1 | 177.5 | -174.3 | 64 | 0 | 0 | 0 | 111.7 | F217 L389 E390 L396 E397 | F217-L393 HydrophobicContact CE1-CD1 4.2Å; F217-L393 HydrophobicContact CE1-CD2 4Å; F217-L393 HydrophobicContact CZ-CB 4.46Å; F217-L393 HydrophobicContact CZ-CD1 4.16Å; F217-L393 HydrophobicContact CZ-CD2 4.37Å; L389-L393 VanDerWaalsContact O-CB 3.28Å; L389-L393 WeakPolarHBondContact O-CB 3.32Å; L389-L393 PolarHBondContact O-N 3.5Å; E390-L393 PolarHBondContact O-N 2.78Å; E390-L393 VanDerWaalsContact O-N 3.1Å; L393-L396 CarbonylContact O-C 3.52Å; L393-L396 WeakPolarHBondContact O-CA 3.48Å; L393-L396 WeakPolarHBondContact O-CB 3.4Å; L393-L396 PolarHBondContact O-N 3.42Å; L393-E397 HydrophobicContact CD1-CG 4.38Å; L393-E397 HydrophobicContact CG-CG 4.11Å; L393-E397 PolarHBondContact O-N 3.15Å |
| 394 | E | 90.7 | Very high | 88.4 | Confident | 101 Ų | 101 | 102.6 Ų | 102.6 | 47% | 0.472 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.7 | -40.7 | -177.7 | -165.5 | -142.9 | 124.8 | 0 | 0 | 113.9 | E390 R398 | E390-E394 PolarHBondContact O-N 2.94Å; E394-R398 WeakPolarHBondContact O-CB 3.38Å; E394-R398 PolarHBondContact O-N 3.26Å; E394-R398 IonicContact OE1-CZ 3.24Å; E394-R398 VanDerWaalsContact OE1-CZ 3.24Å; E394-R398 IonicContact OE1-NH1 3.76Å; E394-R398 PolarHBondContact OE1-NH1 3.45Å; E394-R398 IonicContact OE1-NH2 2.66Å; E394-R398 PolarHBondContact OE1-NH2 3.26Å |
| 395 | P | 88.5 | Confident | 87.1 | Confident | 68 Ų | 68 | 106.5 Ų | 106.5 | 44% | 0.442 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.1 | -34.7 | 168.5 | -23.8 | 34.5 | 0 | 0 | 0 | 114.2 | S391 L392 R398 A399 | S391-P395 WeakPolarHBondContact O-CD 3.38Å; S391-P395 WeakPolarHBondContact O-CG 3.25Å; L392-P395 WeakPolarHBondContact O-CD 3.26Å; P395-R398 PolarHBondContact O-N 3.3Å; P395-A399 WeakPolarHBondContact O-CB 3.31Å; P395-A399 PolarHBondContact O-N 3.02Å |
| 396 | L | 87.4 | Confident | 85.6 | Confident | 93 Ų | 93 | 103.6 Ų | 103.6 | 49% | 0.487 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -70.2 | -42.4 | 177.3 | -69.5 | 170.5 | 0 | 0 | 0 | 111 | L392 L393 R398 A399 V400 | L392-L396 HydrophobicContact CG-CD1 4.48Å; L392-L396 WeakPolarHBondContact O-CD1 3.46Å; L392-L396 WeakPolarHBondContact O-CG 3.26Å; L393-L396 CarbonylContact O-C 3.52Å; L393-L396 WeakPolarHBondContact O-CA 3.48Å; L393-L396 WeakPolarHBondContact O-CB 3.4Å; L393-L396 PolarHBondContact O-N 3.42Å; L396-R398 VanDerWaalsContact C-N 3.32Å; L396-R398 PolarHBondContact O-N 2.79Å; L396-A399 PolarHBondContact O-N 2.71Å; L396-V400 WeakPolarHBondContact O-CB 3.48Å; L396-V400 VanDerWaalsContact O-CG2 3.3Å; L396-V400 WeakPolarHBondContact O-CG2 3.43Å; L396-V400 PolarHBondContact O-N 3.4Å |
| 397 | E | 88.8 | Confident | 84.2 | Confident | 101 Ų | 101 | 106.7 Ų | 106.7 | 47% | 0.472 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -58.4 | -44.3 | 171 | -71.9 | 179.6 | 176.6 | 0 | 0 | 111.1 | L393 A399 V400 N401 | L393-E397 HydrophobicContact CD1-CG 4.38Å; L393-E397 HydrophobicContact CG-CG 4.11Å; L393-E397 PolarHBondContact O-N 3.15Å; E397-A399 PolarHBondContact O-N 2.89Å; E397-V400 PolarHBondContact O-N 2.94Å; E397-N401 PolarHBondContact O-N 3.48Å; E397-N401 PolarHBondContact O-ND2 2.81Å |
| 398 | R | 86.4 | Confident | 83.1 | Confident | 127 Ų | 127 | 105.3 Ų | 105.3 | 48% | 0.479 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.9 | -44.4 | 175.5 | -172.6 | 175 | -73.2 | 105.1 | -5 | 111.9 | E394 P395 L396 N401 E402 | E394-R398 WeakPolarHBondContact O-CB 3.38Å; E394-R398 PolarHBondContact O-N 3.26Å; E394-R398 IonicContact OE1-CZ 3.24Å; E394-R398 VanDerWaalsContact OE1-CZ 3.24Å; E394-R398 IonicContact OE1-NH1 3.76Å; E394-R398 PolarHBondContact OE1-NH1 3.45Å; E394-R398 IonicContact OE1-NH2 2.66Å; E394-R398 PolarHBondContact OE1-NH2 3.26Å; P395-R398 PolarHBondContact O-N 3.3Å; L396-R398 VanDerWaalsContact C-N 3.32Å; L396-R398 PolarHBondContact O-N 2.79Å; R398-N401 PolarHBondContact O-N 3.3Å; R398-E402 PolarHBondContact O-N 2.94Å; R398-E402 VanDerWaalsContact O-N 3.09Å |
| 399 | A | 85.4 | Confident | 82.2 | Confident | 57 Ų | 57 | 105.4 Ų | 105.4 | 47% | 0.471 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.7 | -33.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | P395 L396 E397 E402 L403 | P395-A399 WeakPolarHBondContact O-CB 3.31Å; P395-A399 PolarHBondContact O-N 3.02Å; L396-A399 PolarHBondContact O-N 2.71Å; E397-A399 PolarHBondContact O-N 2.89Å; A399-E402 PolarHBondContact O-N 2.86Å; A399-L403 PolarHBondContact O-N 2.95Å |
| 400 | V | 83 | Confident | 81.3 | Confident | 104 Ų | 104 | 104.8 Ų | 104.8 | 63% | 0.63 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.2 | -39.8 | 173.1 | 166.3 | 0 | 0 | 0 | 0 | 111.1 | L396 E397 E402 L403 | L396-V400 WeakPolarHBondContact O-CB 3.48Å; L396-V400 VanDerWaalsContact O-CG2 3.3Å; L396-V400 WeakPolarHBondContact O-CG2 3.43Å; L396-V400 PolarHBondContact O-N 3.4Å; E397-V400 PolarHBondContact O-N 2.94Å; V400-E402 VanDerWaalsContact C-N 3.31Å; V400-E402 PolarHBondContact O-N 2.79Å; V400-L403 WeakPolarHBondContact O-CB 3.31Å; V400-L403 PolarHBondContact O-N 2.94Å |
| 401 | N | 80.3 | Confident | 80.8 | Confident | 137 Ų | 137 | 101.2 Ų | 101.2 | 73% | 0.733 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -69.5 | -25.4 | 175.6 | -77.4 | -72.9 | 0 | 0 | 0 | 113.5 | E397 R398 | E397-N401 PolarHBondContact O-N 3.48Å; E397-N401 PolarHBondContact O-ND2 2.81Å; R398-N401 PolarHBondContact O-N 3.3Å |
| 402 | E | 80.2 | Confident | 80.2 | Confident | 153 Ų | 153 | 104 Ų | 104 | 72% | 0.715 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -80.9 | -13.5 | 173 | -73.7 | -177.5 | -172 | 0 | 0 | 113.4 | R398 A399 V400 | R398-E402 PolarHBondContact O-N 2.94Å; R398-E402 VanDerWaalsContact O-N 3.09Å; A399-E402 PolarHBondContact O-N 2.86Å; V400-E402 VanDerWaalsContact C-N 3.31Å; V400-E402 PolarHBondContact O-N 2.79Å |
| 403 | L | 74.6 | Confident | 79.8 | Confident | 126 Ų | 126 | 104.2 Ų | 104.2 | 66% | 0.66 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -69.1 | 131 | 178.9 | -166 | 68.8 | 0 | 0 | 0 | 110 | A399 V400 | A399-L403 PolarHBondContact O-N 2.95Å; V400-L403 WeakPolarHBondContact O-CB 3.31Å; V400-L403 PolarHBondContact O-N 2.94Å |
| 404 | P | 72.8 | Confident | 79.6 | Confident | 103 Ų | 103 | 109.4 Ų | 109.4 | 67% | 0.669 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 136 | 178.9 | -24.3 | 33.9 | 0 | 0 | 0 | 111.1 | G406 | P404-G406 PolarHBondContact O-N 3.26Š|
| 405 | P | 68.7 | Low | 79.4 | Confident | 113 Ų | 113 | 109.1 Ų | 109.1 | 73% | 0.734 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 139.5 | 174.6 | 25.3 | -33.9 | 0 | 0 | 0 | 109.8 | Q407 | P405-Q407 PolarHBondContact O-N 3.49Š|
| 406 | G | 64.5 | Low | 79.4 | Confident | 29 Ų | 29 | 108.4 Ų | 108.4 | 30% | 0.299 | 57% | 0.566 | S | S | . | * | trans | -44 | 122 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P404 Y412 | P404-G406 PolarHBondContact O-N 3.26Å; G406-Y412 WeakPolarHBondContact O-CE2 3.45Å; G406-Y412 PolarHBondContact O-OH 2.73Å | ||
| 407 | Q | 64.9 | Low | 79.6 | Confident | 184 Ų | 184 | 109.6 Ų | 109.6 | 86% | 0.86 | 57% | 0.571 | S | S | * | * | trans | -89.1 | -18.8 | -171.7 | -166.6 | 174 | -1.2 | 0 | 0 | 112 | P405 D411 | P405-Q407 PolarHBondContact O-N 3.49Å; Q407-D411 PolarHBondContact N-OD2 3.32Å; Q407-D411 VanDerWaalsContact N-OD2 3.15Å | ||
| 408 | L | 70.8 | Confident | 79.8 | Confident | 114 Ų | 114 | 110.2 Ų | 110.2 | 60% | 0.597 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -105.9 | 146.7 | -177.9 | -56.8 | -179.1 | 0 | 0 | 0 | 111.1 | S410 D411 Y412 | L408-S410 PolarHBondContact O-N 2.88Å; L408-S410 VanDerWaalsContact O-N 3.17Å; L408-D411 WeakPolarHBondContact CB-OD2 3.44Å; L408-D411 PolarHBondContact N-OD2 2.84Å; L408-D411 VanDerWaalsContact O-CB 3.26Å; L408-D411 WeakPolarHBondContact O-CB 3.28Å; L408-D411 PolarHBondContact O-N 2.88Å; L408-Y412 VanDerWaalsContact O-CD2 3.3Å; L408-Y412 WeakPolarHBondContact O-CD2 3.25Å |
| 409 | H | 73.4 | Confident | 80.1 | Confident | 141 Ų | 141 | 108.9 Ų | 108.9 | 65% | 0.653 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -54.9 | -36.8 | 178.7 | -174.1 | 51.2 | 0 | 0 | 0 | 112.9 | D411 Y412 E413 | H409-D411 PolarHBondContact O-N 3.42Å; H409-Y412 PolarHBondContact O-N 2.87Å; H409-Y412 VanDerWaalsContact O-N 3.15Å; H409-E413 IonicContact NE2-OE1 3.84Å; H409-E413 PolarHBondContact O-N 3.15Å |
| 410 | S | 76.5 | Confident | 80.5 | Confident | 78 Ų | 78 | 111.4 Ų | 111.4 | 55% | 0.545 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.8 | -20.8 | 175.9 | -53 | 0 | 0 | 0 | 0 | 114.2 | L408 R414 | L408-S410 PolarHBondContact O-N 2.88Å; L408-S410 VanDerWaalsContact O-N 3.17Å; S410-R414 WeakPolarHBondContact O-CB 3.24Å; S410-R414 PolarHBondContact O-N 2.84Å |
| 411 | D | 82.4 | Confident | 81 | Confident | 61 Ų | 61 | 109.1 Ų | 109.1 | 33% | 0.326 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -72.7 | -42.6 | 173.6 | -53.2 | -30.5 | 0 | 0 | 0 | 109.6 | Q407 L408 H409 R414 E415 | Q407-D411 PolarHBondContact N-OD2 3.32Å; Q407-D411 VanDerWaalsContact N-OD2 3.15Å; L408-D411 WeakPolarHBondContact CB-OD2 3.44Å; L408-D411 PolarHBondContact N-OD2 2.84Å; L408-D411 VanDerWaalsContact O-CB 3.26Å; L408-D411 WeakPolarHBondContact O-CB 3.28Å; L408-D411 PolarHBondContact O-N 2.88Å; H409-D411 PolarHBondContact O-N 3.42Å; D411-R414 PolarHBondContact O-N 3.31Å; D411-E415 VanDerWaalsContact O-CB 3.26Å; D411-E415 WeakPolarHBondContact O-CB 3.35Å; D411-E415 PolarHBondContact O-N 3.23Å |
| 412 | Y | 80.5 | Confident | 81.6 | Confident | 137 Ų | 137 | 107 Ų | 107 | 54% | 0.537 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.6 | -41 | 176.9 | -64.5 | -89.9 | 0 | 0 | 0 | 112.7 | G406 L408 H409 E415 A416 | G406-Y412 WeakPolarHBondContact O-CE2 3.45Å; G406-Y412 PolarHBondContact O-OH 2.73Å; L408-Y412 VanDerWaalsContact O-CD2 3.3Å; L408-Y412 WeakPolarHBondContact O-CD2 3.25Å; H409-Y412 PolarHBondContact O-N 2.87Å; H409-Y412 VanDerWaalsContact O-N 3.15Å; Y412-E415 PolarHBondContact O-N 2.89Å; Y412-A416 WeakPolarHBondContact O-CB 3.26Å; Y412-A416 PolarHBondContact O-N 3.25Å |
| 413 | E | 84 | Confident | 82.3 | Confident | 111 Ų | 111 | 103.8 Ų | 103.8 | 52% | 0.519 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65 | -40.8 | 175.8 | -67.4 | -174.1 | 143.9 | 0 | 0 | 111.8 | H409 I417 | H409-E413 IonicContact NE2-OE1 3.84Å; H409-E413 PolarHBondContact O-N 3.15Å; E413-I417 WeakPolarHBondContact O-CG1 3.48Å; E413-I417 PolarHBondContact O-N 2.79Å |
| 414 | R | 88.5 | Confident | 83.3 | Confident | 159 Ų | 159 | 101.5 Ų | 101.5 | 60% | 0.6 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.3 | -46.5 | 175.6 | 174.9 | -178 | -62.8 | -79.3 | -1.7 | 111.6 | S410 D411 A416 I417 F418 | S410-R414 WeakPolarHBondContact O-CB 3.24Å; S410-R414 PolarHBondContact O-N 2.84Å; D411-R414 PolarHBondContact O-N 3.31Å; R414-A416 VanDerWaalsContact C-N 3.34Å; R414-I417 PolarHBondContact O-N 2.83Å; R414-F418 HydrophobicContact CG-CD2 3.8Å; R414-F418 HydrophobicContact CG-CE2 3.5Å; R414-F418 WeakPolarHBondContact O-CD2 3.45Å; R414-F418 PolarHBondContact O-N 2.94Å; R414-F418 VanDerWaalsContact O-N 3.09Å |
| 415 | E | 86.7 | Confident | 84.3 | Confident | 95 Ų | 95 | 102.2 Ų | 102.2 | 44% | 0.444 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 179.1 | -176.6 | 57.2 | -154.9 | 0 | 0 | 111 | D411 Y412 I417 F418 Q419 | D411-E415 VanDerWaalsContact O-CB 3.26Å; D411-E415 WeakPolarHBondContact O-CB 3.35Å; D411-E415 PolarHBondContact O-N 3.23Å; Y412-E415 PolarHBondContact O-N 2.89Å; E415-I417 VanDerWaalsContact C-N 3.29Å; E415-I417 PolarHBondContact O-N 2.89Å; E415-F418 PolarHBondContact O-N 3.3Å; E415-Q419 HydrophobicContact CG-CG 4.36Å; E415-Q419 VanDerWaalsContact CG-NE2 3.33Å; E415-Q419 WeakPolarHBondContact O-CB 3.45Å; E415-Q419 VanDerWaalsContact O-CG 3.3Å; E415-Q419 WeakPolarHBondContact O-CG 3.28Å; E415-Q419 PolarHBondContact O-N 2.85Å; E415-Q419 WeakPolarHBondContact OE1-CG 3.4Å; E415-Q419 PolarHBondContact OE1-NE2 2.9Å |
| 416 | A | 88 | Confident | 85.5 | Confident | 54 Ų | 54 | 102.8 Ų | 102.8 | 45% | 0.446 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.2 | -35.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y412 R414 L420 | Y412-A416 WeakPolarHBondContact O-CB 3.26Å; Y412-A416 PolarHBondContact O-N 3.25Å; R414-A416 VanDerWaalsContact C-N 3.34Å; A416-L420 WeakPolarHBondContact O-CB 3.41Å; A416-L420 PolarHBondContact O-N 3.4Å |
| 417 | I | 91.7 | Very high | 87 | Confident | 118 Ų | 118 | 107.9 Ų | 107.9 | 61% | 0.605 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -70.3 | -41.3 | 175.6 | -66.6 | 165.4 | 0 | 0 | 0 | 111.1 | E413 R414 E415 L420 A421 | E413-I417 WeakPolarHBondContact O-CG1 3.48Å; E413-I417 PolarHBondContact O-N 2.79Å; R414-I417 PolarHBondContact O-N 2.83Å; E415-I417 VanDerWaalsContact C-N 3.29Å; E415-I417 PolarHBondContact O-N 2.89Å; I417-L420 PolarHBondContact O-N 3.21Å; I417-A421 PolarHBondContact O-N 3.35Å |
| 418 | F | 92.1 | Very high | 88.4 | Confident | 114 Ų | 114 | 104 Ų | 104 | 50% | 0.5 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.5 | -39.6 | 176.1 | -73.1 | -55.2 | 0 | 0 | 0 | 112.4 | R414 E415 L420 A421 T422 | R414-F418 HydrophobicContact CG-CD2 3.8Å; R414-F418 HydrophobicContact CG-CE2 3.5Å; R414-F418 WeakPolarHBondContact O-CD2 3.45Å; R414-F418 PolarHBondContact O-N 2.94Å; R414-F418 VanDerWaalsContact O-N 3.09Å; E415-F418 PolarHBondContact O-N 3.3Å; F418-L420 VanDerWaalsContact C-N 3.33Å; F418-L420 PolarHBondContact O-N 2.93Å; F418-A421 WeakPolarHBondContact O-CB 3.39Å; F418-A421 PolarHBondContact O-N 3.26Å; F418-A421 VanDerWaalsContact O-N 3.12Å; F418-T422 PolarHBondContact O-N 3.05Å; F418-T422 PolarHBondContact O-OG1 3.34Å; F418-T422 VanDerWaalsContact O-OG1 3.14Å |
| 419 | Q | 92.9 | Very high | 89.5 | Confident | 98 Ų | 98 | 100.2 Ų | 100.2 | 46% | 0.458 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.9 | -38 | 173.7 | -71.2 | 173.6 | -1.5 | 0 | 0 | 111.8 | E415 T422 N423 | E415-Q419 HydrophobicContact CG-CG 4.36Å; E415-Q419 VanDerWaalsContact CG-NE2 3.33Å; E415-Q419 WeakPolarHBondContact O-CB 3.45Å; E415-Q419 VanDerWaalsContact O-CG 3.3Å; E415-Q419 WeakPolarHBondContact O-CG 3.28Å; E415-Q419 PolarHBondContact O-N 2.85Å; E415-Q419 WeakPolarHBondContact OE1-CG 3.4Å; E415-Q419 PolarHBondContact OE1-NE2 2.9Å; Q419-T422 PolarHBondContact O-N 3.21Å; Q419-N423 WeakPolarHBondContact O-CB 3.39Å; Q419-N423 PolarHBondContact O-N 2.82Å; Q419-N423 PolarHBondContact O-ND2 2.86Å |
| 420 | L | 93.7 | Very high | 90.5 | Very high | 110 Ų | 110 | 99.4 Ų | 99.4 | 58% | 0.576 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.9 | -42.1 | 170.5 | 179.9 | 61.6 | 0 | 0 | 0 | 111.8 | A416 I417 F418 N423 V424 | A416-L420 WeakPolarHBondContact O-CB 3.41Å; A416-L420 PolarHBondContact O-N 3.4Å; I417-L420 PolarHBondContact O-N 3.21Å; F418-L420 VanDerWaalsContact C-N 3.33Å; F418-L420 PolarHBondContact O-N 2.93Å; L420-N423 PolarHBondContact O-N 3.41Å; L420-V424 HydrophobicContact CD1-CG2 4.29Å; L420-V424 WeakPolarHBondContact O-CG2 3.42Å; L420-V424 PolarHBondContact O-N 3.29Å |
| 421 | A | 94.6 | Very high | 91.3 | Very high | 57 Ų | 57 | 100 Ų | 100 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I417 F418 N423 V424 D425 | I417-A421 PolarHBondContact O-N 3.35Å; F418-A421 WeakPolarHBondContact O-CB 3.39Å; F418-A421 PolarHBondContact O-N 3.26Å; F418-A421 VanDerWaalsContact O-N 3.12Å; A421-N423 VanDerWaalsContact C-N 3.35Å; A421-N423 PolarHBondContact O-N 3.43Å; A421-V424 PolarHBondContact O-N 3.46Å; A421-D425 PolarHBondContact O-N 3.45Å |
| 422 | T | 92.2 | Very high | 91.9 | Very high | 92 Ų | 92 | 103 Ų | 103 | 56% | 0.564 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.6 | -40.9 | 174.6 | -57 | 0 | 0 | 0 | 0 | 112 | F418 Q419 D425 L426 | F418-T422 PolarHBondContact O-N 3.05Å; F418-T422 PolarHBondContact O-OG1 3.34Å; F418-T422 VanDerWaalsContact O-OG1 3.14Å; Q419-T422 PolarHBondContact O-N 3.21Å; T422-D425 PolarHBondContact O-N 2.83Å; T422-L426 WeakPolarHBondContact O-CB 3.27Å; T422-L426 PolarHBondContact O-N 3.46Å |
| 423 | N | 94.9 | Very high | 92.5 | Very high | 86 Ų | 86 | 100.1 Ų | 100.1 | 46% | 0.46 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.3 | -39.8 | 177.2 | -70.6 | -21.3 | 0 | 0 | 0 | 111.8 | Q419 L420 A421 L426 E427 | Q419-N423 WeakPolarHBondContact O-CB 3.39Å; Q419-N423 PolarHBondContact O-N 2.82Å; Q419-N423 PolarHBondContact O-ND2 2.86Å; L420-N423 PolarHBondContact O-N 3.41Å; A421-N423 VanDerWaalsContact C-N 3.35Å; A421-N423 PolarHBondContact O-N 3.43Å; N423-L426 PolarHBondContact O-N 3.47Å; N423-E427 WeakPolarHBondContact O-CB 3.21Å; N423-E427 WeakPolarHBondContact O-CG 3.39Å; N423-E427 PolarHBondContact O-N 2.82Å |
| 424 | V | 94.6 | Very high | 93 | Very high | 78 Ų | 78 | 98.4 Ų | 98.4 | 47% | 0.473 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.7 | -36.8 | 175.8 | 169.8 | 0 | 0 | 0 | 0 | 111.8 | L420 A421 E427 L428 | L420-V424 HydrophobicContact CD1-CG2 4.29Å; L420-V424 WeakPolarHBondContact O-CG2 3.42Å; L420-V424 PolarHBondContact O-N 3.29Å; A421-V424 PolarHBondContact O-N 3.46Å; V424-E427 PolarHBondContact O-N 3.38Å; V424-L428 WeakPolarHBondContact O-CB 3.26Å; V424-L428 PolarHBondContact O-N 2.84Å |
| 425 | D | 94 | Very high | 93.3 | Very high | 117 Ų | 117 | 95.6 Ų | 95.6 | 63% | 0.626 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66 | -42.4 | 173.4 | -170.1 | 61.4 | 0 | 0 | 0 | 111.6 | A421 T422 L428 G429 | A421-D425 PolarHBondContact O-N 3.45Å; T422-D425 PolarHBondContact O-N 2.83Å; D425-L428 PolarHBondContact O-N 3.03Å; D425-G429 PolarHBondContact O-N 2.94Å |
| 426 | L | 94.8 | Very high | 93.6 | Very high | 125 Ų | 125 | 99.9 Ų | 99.9 | 65% | 0.654 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.2 | -41 | 174.7 | -170.9 | 68.2 | 0 | 0 | 0 | 112.2 | T422 N423 L428 G429 Q430 | T422-L426 WeakPolarHBondContact O-CB 3.27Å; T422-L426 PolarHBondContact O-N 3.46Å; N423-L426 PolarHBondContact O-N 3.47Å; L426-L428 VanDerWaalsContact C-N 3.33Å; L426-G429 PolarHBondContact O-N 3.46Å; L426-Q430 WeakPolarHBondContact O-CB 3.35Å; L426-Q430 PolarHBondContact O-N 3.38Å |
| 427 | E | 95.3 | Very high | 93.8 | Very high | 136 Ų | 136 | 102.4 Ų | 102.4 | 64% | 0.636 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.3 | -39.1 | 172.6 | -78.4 | 179.8 | -177.5 | 0 | 0 | 111.4 | N423 V424 Q430 L431 | N423-E427 WeakPolarHBondContact O-CB 3.21Å; N423-E427 WeakPolarHBondContact O-CG 3.39Å; N423-E427 PolarHBondContact O-N 2.82Å; V424-E427 PolarHBondContact O-N 3.38Å; E427-Q430 PolarHBondContact O-N 3.24Å; E427-L431 WeakPolarHBondContact O-CB 3.43Å; E427-L431 PolarHBondContact O-N 2.61Å |
| 428 | L | 94.5 | Very high | 93.8 | Very high | 104 Ų | 104 | 100.1 Ų | 100.1 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.8 | -39.4 | 175.4 | -176.9 | 61.2 | 0 | 0 | 0 | 112.2 | V424 D425 L426 L431 L432 | V424-L428 WeakPolarHBondContact O-CB 3.26Å; V424-L428 PolarHBondContact O-N 2.84Å; D425-L428 PolarHBondContact O-N 3.03Å; L426-L428 VanDerWaalsContact C-N 3.33Å; L428-L431 PolarHBondContact O-N 2.92Å; L428-L432 WeakPolarHBondContact O-CB 3.48Å; L428-L432 PolarHBondContact O-N 3.36Å |
| 429 | G | 94.7 | Very high | 93.6 | Very high | 34 Ų | 34 | 96.8 Ų | 96.8 | 35% | 0.351 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.8 | -39.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D425 L426 L432 T433 | D425-G429 PolarHBondContact O-N 2.94Å; L426-G429 PolarHBondContact O-N 3.46Å; G429-L432 PolarHBondContact O-N 3.01Å; G429-T433 PolarHBondContact O-N 2.86Å; G429-T433 PolarHBondContact O-OG1 3.18Å |
| 430 | Q | 93.9 | Very high | 93.4 | Very high | 123 Ų | 123 | 96.3 Ų | 96.3 | 58% | 0.575 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68 | -39.5 | 173.2 | -176.3 | 56.9 | 66.5 | 0 | 0 | 111.5 | L426 E427 T433 D434 | L426-Q430 WeakPolarHBondContact O-CB 3.35Å; L426-Q430 PolarHBondContact O-N 3.38Å; E427-Q430 PolarHBondContact O-N 3.24Å; Q430-T433 WeakPolarHBondContact O-CB 3.39Å; Q430-T433 PolarHBondContact O-N 3.15Å; Q430-D434 WeakPolarHBondContact O-CB 3.4Å; Q430-D434 PolarHBondContact O-N 3.26Å |
| 431 | L | 93.5 | Very high | 93.1 | Very high | 91 Ų | 91 | 95.7 Ų | 95.7 | 48% | 0.476 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66 | -38.9 | 174.3 | -176.3 | 154.4 | 0 | 0 | 0 | 111.7 | E427 L428 T433 D434 L435 | E427-L431 WeakPolarHBondContact O-CB 3.43Å; E427-L431 PolarHBondContact O-N 2.61Å; L428-L431 PolarHBondContact O-N 2.92Å; L431-T433 VanDerWaalsContact C-N 3.28Å; L431-T433 PolarHBondContact O-N 3.39Å; L431-D434 PolarHBondContact O-N 2.81Å; L431-L435 HydrophobicContact CD2-CD1 3.6Å; L431-L435 HydrophobicContact CD2-CG 3.97Å; L431-L435 WeakPolarHBondContact O-CB 3.26Å; L431-L435 WeakPolarHBondContact O-CG 3.36Å; L431-L435 PolarHBondContact O-N 2.95Å |
| 432 | L | 94 | Very high | 92.7 | Very high | 123 Ų | 123 | 96.5 Ų | 96.5 | 64% | 0.644 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.9 | -39.7 | 172.5 | -172 | 93 | 0 | 0 | 0 | 111.1 | L428 G429 R436 | L428-L432 WeakPolarHBondContact O-CB 3.48Å; L428-L432 PolarHBondContact O-N 3.36Å; G429-L432 PolarHBondContact O-N 3.01Å; L432-R436 WeakPolarHBondContact O-CB 3.34Å; L432-R436 PolarHBondContact O-N 3.46Å |
| 433 | T | 93.6 | Very high | 92.2 | Very high | 78 Ų | 78 | 96.4 Ų | 96.4 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.3 | -42.5 | 177.2 | -55.4 | 0 | 0 | 0 | 0 | 111.3 | G429 Q430 L431 R436 E437 | G429-T433 PolarHBondContact O-N 2.86Å; G429-T433 PolarHBondContact O-OG1 3.18Å; Q430-T433 WeakPolarHBondContact O-CB 3.39Å; Q430-T433 PolarHBondContact O-N 3.15Å; L431-T433 VanDerWaalsContact C-N 3.28Å; L431-T433 PolarHBondContact O-N 3.39Å; T433-R436 WeakPolarHBondContact O-CB 3.42Å; T433-R436 PolarHBondContact O-N 2.63Å; T433-E437 PolarHBondContact O-N 3.38Å |
| 434 | D | 94.9 | Very high | 91.6 | Very high | 75 Ų | 75 | 96.6 Ų | 96.6 | 40% | 0.401 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 172.9 | -178.1 | 43.6 | 0 | 0 | 0 | 111.5 | Q430 L431 R436 E437 I438 | Q430-D434 WeakPolarHBondContact O-CB 3.4Å; Q430-D434 PolarHBondContact O-N 3.26Å; L431-D434 PolarHBondContact O-N 2.81Å; D434-R436 VanDerWaalsContact C-N 3.27Å; D434-R436 PolarHBondContact O-N 2.91Å; D434-E437 CarbonylContact O-C 3.58Å; D434-E437 PolarHBondContact O-N 2.85Å; D434-E437 VanDerWaalsContact O-N 3.15Å; D434-I438 WeakPolarHBondContact O-CB 3.19Å; D434-I438 VanDerWaalsContact O-CG1 3.24Å; D434-I438 WeakPolarHBondContact O-CG1 3.24Å; D434-I438 PolarHBondContact O-N 3.42Å |
| 435 | L | 94.5 | Very high | 90.9 | Very high | 100 Ų | 100 | 96.9 Ų | 96.9 | 52% | 0.524 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.5 | -34.3 | 173.1 | -75.7 | -177.8 | 0 | 0 | 0 | 112.7 | L431 A439 | L431-L435 HydrophobicContact CD2-CD1 3.6Å; L431-L435 HydrophobicContact CD2-CG 3.97Å; L431-L435 WeakPolarHBondContact O-CB 3.26Å; L431-L435 WeakPolarHBondContact O-CG 3.36Å; L431-L435 PolarHBondContact O-N 2.95Å; L435-A439 VanDerWaalsContact O-CB 3.26Å; L435-A439 WeakPolarHBondContact O-CB 3.48Å; L435-A439 PolarHBondContact O-N 3.23Å |
| 436 | R | 92.5 | Very high | 90.2 | Very high | 184 Ų | 184 | 94.6 Ų | 94.6 | 69% | 0.694 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.7 | -43.5 | 173.3 | -174.6 | 175.8 | -176 | 145.2 | 1.5 | 111.2 | L432 T433 D434 A439 D440 | L432-R436 WeakPolarHBondContact O-CB 3.34Å; L432-R436 PolarHBondContact O-N 3.46Å; T433-R436 WeakPolarHBondContact O-CB 3.42Å; T433-R436 PolarHBondContact O-N 2.63Å; D434-R436 VanDerWaalsContact C-N 3.27Å; D434-R436 PolarHBondContact O-N 2.91Å; R436-A439 WeakPolarHBondContact O-CB 3.26Å; R436-A439 PolarHBondContact O-N 2.91Å; R436-D440 PolarHBondContact O-N 2.67Å |
| 437 | E | 92.9 | Very high | 89.2 | Confident | 108 Ų | 108 | 91 Ų | 91 | 51% | 0.505 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 175.2 | -164.2 | -175.7 | 152.4 | 0 | 0 | 111 | T433 D434 A439 D440 Q441 | T433-E437 PolarHBondContact O-N 3.38Å; D434-E437 CarbonylContact O-C 3.58Å; D434-E437 PolarHBondContact O-N 2.85Å; D434-E437 VanDerWaalsContact O-N 3.15Å; E437-A439 VanDerWaalsContact C-N 3.3Å; E437-A439 PolarHBondContact O-N 3.38Å; E437-D440 CarbonylContact O-C 3.57Å; E437-D440 PolarHBondContact O-N 2.86Å; E437-D440 VanDerWaalsContact O-N 3.15Å; E437-Q441 HydrophobicContact CG-CG 4.29Å; E437-Q441 VanDerWaalsContact O-CB 3.32Å; E437-Q441 WeakPolarHBondContact O-CB 3.23Å; E437-Q441 VanDerWaalsContact O-CG 3.26Å; E437-Q441 WeakPolarHBondContact O-CG 3.21Å; E437-Q441 PolarHBondContact O-N 2.82Å; E437-Q441 PolarHBondContact OE1-NE2 3.45Å |
| 438 | I | 91.7 | Very high | 88.1 | Confident | 69 Ų | 69 | 90 Ų | 90 | 35% | 0.354 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61 | -38.2 | 173.8 | -69.1 | 165.5 | 0 | 0 | 0 | 110.9 | D434 T442 | D434-I438 WeakPolarHBondContact O-CB 3.19Å; D434-I438 VanDerWaalsContact O-CG1 3.24Å; D434-I438 WeakPolarHBondContact O-CG1 3.24Å; D434-I438 PolarHBondContact O-N 3.42Å; I438-T442 WeakPolarHBondContact O-CB 3.34Å; I438-T442 PolarHBondContact O-N 3.1Å; I438-T442 PolarHBondContact O-OG1 3.24Å |
| 439 | A | 87.5 | Confident | 87 | Confident | 44 Ų | 44 | 88.8 Ų | 88.8 | 36% | 0.364 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L435 R436 E437 T442 N443 | L435-A439 VanDerWaalsContact O-CB 3.26Å; L435-A439 WeakPolarHBondContact O-CB 3.48Å; L435-A439 PolarHBondContact O-N 3.23Å; R436-A439 WeakPolarHBondContact O-CB 3.26Å; R436-A439 PolarHBondContact O-N 2.91Å; E437-A439 VanDerWaalsContact C-N 3.3Å; E437-A439 PolarHBondContact O-N 3.38Å; A439-T442 PolarHBondContact O-N 2.91Å; A439-N443 VanDerWaalsContact O-CB 3.25Å; A439-N443 WeakPolarHBondContact O-CB 3.39Å; A439-N443 PolarHBondContact O-N 3.47Å; A439-N443 PolarHBondContact O-ND2 2.81Å |
| 440 | D | 88.4 | Confident | 85.6 | Confident | 88 Ų | 88 | 90.6 Ų | 90.6 | 47% | 0.471 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.1 | -36.5 | 177.3 | -73.9 | -29.3 | 0 | 0 | 0 | 112.5 | R436 E437 N443 T444 | R436-D440 PolarHBondContact O-N 2.67Å; E437-D440 CarbonylContact O-C 3.57Å; E437-D440 PolarHBondContact O-N 2.86Å; E437-D440 VanDerWaalsContact O-N 3.15Å; D440-N443 PolarHBondContact O-N 3.5Å; D440-T444 WeakPolarHBondContact O-CB 3.36Å; D440-T444 VanDerWaalsContact O-CG2 3.31Å; D440-T444 WeakPolarHBondContact O-CG2 3.43Å; D440-T444 PolarHBondContact O-N 2.85Å; D440-T444 PolarHBondContact O-OG1 3.19Å |
| 441 | Q | 87.9 | Confident | 84 | Confident | 97 Ų | 97 | 87.1 Ų | 87.1 | 45% | 0.453 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.5 | -40.1 | 170.9 | -73.2 | -177.9 | 19.7 | 0 | 0 | 111.6 | E437 T444 T445 | E437-Q441 HydrophobicContact CG-CG 4.29Å; E437-Q441 VanDerWaalsContact O-CB 3.32Å; E437-Q441 WeakPolarHBondContact O-CB 3.23Å; E437-Q441 VanDerWaalsContact O-CG 3.26Å; E437-Q441 WeakPolarHBondContact O-CG 3.21Å; E437-Q441 PolarHBondContact O-N 2.82Å; E437-Q441 PolarHBondContact OE1-NE2 3.45Å; Q441-T444 VanDerWaalsContact CA-OG1 3.29Å; Q441-T444 WeakPolarHBondContact CA-OG1 3.41Å; Q441-T444 PolarHBondContact O-OG1 3.32Å; Q441-T444 VanDerWaalsContact O-OG1 3.08Å; Q441-T445 WeakPolarHBondContact O-CB 3.22Å; Q441-T445 PolarHBondContact O-N 3.12Å; Q441-T445 PolarHBondContact O-OG1 3.21Å |
| 442 | T | 87.1 | Confident | 82 | Confident | 74 Ų | 74 | 84.5 Ų | 84.5 | 45% | 0.454 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -68.5 | -42.5 | 175.4 | -61.9 | 0 | 0 | 0 | 0 | 110.6 | I438 A439 T446 | I438-T442 WeakPolarHBondContact O-CB 3.34Å; I438-T442 PolarHBondContact O-N 3.1Å; I438-T442 PolarHBondContact O-OG1 3.24Å; A439-T442 PolarHBondContact O-N 2.91Å; T442-T446 VanDerWaalsContact O-CB 3.22Å; T442-T446 WeakPolarHBondContact O-CB 3.49Å; T442-T446 PolarHBondContact O-N 2.85Å; T442-T446 PolarHBondContact O-OG1 3.27Å |
| 443 | N | 82 | Confident | 80 | Confident | 90 Ų | 90 | 86.8 Ų | 86.8 | 48% | 0.481 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.4 | -50.5 | 174.8 | -76.3 | -33.7 | 0 | 0 | 0 | 110.8 | A439 D440 T445 T446 M447 | A439-N443 VanDerWaalsContact O-CB 3.25Å; A439-N443 WeakPolarHBondContact O-CB 3.39Å; A439-N443 PolarHBondContact O-N 3.47Å; A439-N443 PolarHBondContact O-ND2 2.81Å; D440-N443 PolarHBondContact O-N 3.5Å; N443-T445 PolarHBondContact O-N 3.07Å; N443-T446 PolarHBondContact O-N 3.32Å; N443-M447 WeakPolarHBondContact O-CB 3.34Å; N443-M447 WeakPolarHBondContact O-CG 3.49Å; N443-M447 PolarHBondContact O-N 3.49Å |
| 444 | T | 80.8 | Confident | 78 | Confident | 90 Ų | 90 | 89.7 Ų | 89.7 | 55% | 0.552 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64 | -40 | 178.1 | 48.9 | 0 | 0 | 0 | 0 | 112.4 | D440 Q441 M447 N448 | D440-T444 WeakPolarHBondContact O-CB 3.36Å; D440-T444 VanDerWaalsContact O-CG2 3.31Å; D440-T444 WeakPolarHBondContact O-CG2 3.43Å; D440-T444 PolarHBondContact O-N 2.85Å; D440-T444 PolarHBondContact O-OG1 3.19Å; Q441-T444 VanDerWaalsContact CA-OG1 3.29Å; Q441-T444 WeakPolarHBondContact CA-OG1 3.41Å; Q441-T444 PolarHBondContact O-OG1 3.32Å; Q441-T444 VanDerWaalsContact O-OG1 3.08Å; T444-M447 PolarHBondContact O-N 3.36Å; T444-N448 VanDerWaalsContact O-CB 3.27Å; T444-N448 WeakPolarHBondContact O-CB 3.41Å; T444-N448 PolarHBondContact O-N 2.85Å |
| 445 | T | 81 | Confident | 76 | Confident | 85 Ų | 85 | 91.1 Ų | 91.1 | 52% | 0.521 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 172.7 | -61.4 | 0 | 0 | 0 | 0 | 111.2 | Q441 N443 M447 N448 V449 | Q441-T445 WeakPolarHBondContact O-CB 3.22Å; Q441-T445 PolarHBondContact O-N 3.12Å; Q441-T445 PolarHBondContact O-OG1 3.21Å; N443-T445 PolarHBondContact O-N 3.07Å; T445-M447 PolarHBondContact O-N 3.33Å; T445-N448 PolarHBondContact O-N 3.11Å; T445-V449 HydrophobicContact CG2-CG2 4.41Å; T445-V449 WeakPolarHBondContact O-CG2 3.41Å; T445-V449 PolarHBondContact O-N 3.28Å |
| 446 | T | 77.9 | Confident | 73.7 | Confident | 69 Ų | 69 | 91.2 Ų | 91.2 | 42% | 0.423 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 177.7 | -60.2 | 0 | 0 | 0 | 0 | 111.7 | T442 N443 T450 | T442-T446 VanDerWaalsContact O-CB 3.22Å; T442-T446 WeakPolarHBondContact O-CB 3.49Å; T442-T446 PolarHBondContact O-N 2.85Å; T442-T446 PolarHBondContact O-OG1 3.27Å; N443-T446 PolarHBondContact O-N 3.32Å; T446-T450 WeakPolarHBondContact O-CB 3.09Å; T446-T450 PolarHBondContact O-N 2.93Å; T446-T450 PolarHBondContact O-OG1 3.32Å |
| 447 | M | 73.7 | Confident | 71.2 | Confident | 50 Ų | 50 | 90.4 Ų | 90.4 | 25% | 0.246 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 174.3 | -65.6 | -72.9 | 128.8 | 0 | 0 | 111.1 | N443 T444 T445 T450 T451 N488 | N443-M447 WeakPolarHBondContact O-CB 3.34Å; N443-M447 WeakPolarHBondContact O-CG 3.49Å; N443-M447 PolarHBondContact O-N 3.49Å; T444-M447 PolarHBondContact O-N 3.36Å; T445-M447 PolarHBondContact O-N 3.33Å; M447-T450 PolarHBondContact O-N 2.88Å; M447-T451 PolarHBondContact O-N 2.89Å; M447-T451 PolarHBondContact O-OG1 2.89Å; M447-N488 HydrophobicContact SD-CB 3.8Å; M447-N488 VanDerWaalsContact SD-CG 3.59Å |
| 448 | N | 72.9 | Confident | 68.9 | Low | 114 Ų | 114 | 92 Ų | 92 | 61% | 0.61 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.9 | -34.3 | -179.7 | -168.6 | 46.8 | 0 | 0 | 0 | 113 | T444 T445 T451 G452 | T444-N448 VanDerWaalsContact O-CB 3.27Å; T444-N448 WeakPolarHBondContact O-CB 3.41Å; T444-N448 PolarHBondContact O-N 2.85Å; T445-N448 PolarHBondContact O-N 3.11Å; N448-T451 PolarHBondContact O-OG1 2.88Å; N448-G452 WeakPolarHBondContact O-CA 3.43Å; N448-G452 PolarHBondContact O-N 3.12Å |
| 449 | V | 71.3 | Confident | 66.7 | Low | 78 Ų | 78 | 94.2 Ų | 94.2 | 47% | 0.473 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.3 | -42 | 170.9 | 169.9 | 0 | 0 | 0 | 0 | 110.3 | T445 T451 G452 F453 | T445-V449 HydrophobicContact CG2-CG2 4.41Å; T445-V449 WeakPolarHBondContact O-CG2 3.41Å; T445-V449 PolarHBondContact O-N 3.28Å; V449-T451 PolarHBondContact O-N 3.42Å; V449-G452 PolarHBondContact O-N 2.67Å; V449-F453 HydrophobicContact CG1-CD2 4.16Å; V449-F453 HydrophobicContact CG1-CE2 4.32Å; V449-F453 PolarHBondContact O-N 3.26Å |
| 450 | T | 65.4 | Low | 64.6 | Low | 73 Ų | 73 | 97.5 Ų | 97.5 | 45% | 0.448 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.8 | -36.1 | -179.5 | -55.8 | 0 | 0 | 0 | 0 | 112.4 | T446 M447 | T446-T450 WeakPolarHBondContact O-CB 3.09Å; T446-T450 PolarHBondContact O-N 2.93Å; T446-T450 PolarHBondContact O-OG1 3.32Å; M447-T450 PolarHBondContact O-N 2.88Å |
| 451 | T | 60.2 | Low | 62.3 | Low | 50 Ų | 50 | 99.3 Ų | 99.3 | 31% | 0.307 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -82.9 | -36.3 | 174.7 | 56.8 | 0 | 0 | 0 | 0 | 113 | M447 N448 V449 F453 N454 N488 | M447-T451 PolarHBondContact O-N 2.89Å; M447-T451 PolarHBondContact O-OG1 2.89Å; N448-T451 PolarHBondContact O-OG1 2.88Å; V449-T451 PolarHBondContact O-N 3.42Å; T451-F453 VanDerWaalsContact C-N 3.35Å; T451-F453 PolarHBondContact O-N 3.36Å; T451-N454 PolarHBondContact O-N 2.83Å; T451-N488 WeakPolarHBondContact CG2-ND2 3.34Å |
| 452 | G | 52.4 | Low | 60.1 | Low | 35 Ų | 35 | 100 Ų | 100 | 36% | 0.361 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.3 | -31.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | N448 V449 N454 S455 | N448-G452 WeakPolarHBondContact O-CA 3.43Å; N448-G452 PolarHBondContact O-N 3.12Å; V449-G452 PolarHBondContact O-N 2.67Å; G452-N454 PolarHBondContact O-N 2.79Å; G452-N454 VanDerWaalsContact O-N 3.09Å; G452-S455 PolarHBondContact O-N 2.86Å; G452-S455 VanDerWaalsContact O-N 3.13Å |
| 453 | F | 52.7 | Low | 58 | Low | 172 Ų | 172 | 102.7 Ų | 102.7 | 75% | 0.754 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -14.6 | 179.5 | -105.7 | -82.3 | 0 | 0 | 0 | 114.8 | V449 T451 | V449-F453 HydrophobicContact CG1-CD2 4.16Å; V449-F453 HydrophobicContact CG1-CE2 4.32Å; V449-F453 PolarHBondContact O-N 3.26Å; T451-F453 VanDerWaalsContact C-N 3.35Å; T451-F453 PolarHBondContact O-N 3.36Å |
| 454 | N | 51.4 | Low | 56.3 | Low | 138 Ų | 138 | 106 Ų | 106 | 74% | 0.738 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | 7.3 | 177 | -69 | -59.5 | 0 | 0 | 0 | 114.3 | T451 G452 | T451-N454 PolarHBondContact O-N 2.83Å; G452-N454 PolarHBondContact O-N 2.79Å; G452-N454 VanDerWaalsContact O-N 3.09Å |
| 455 | S | 51.3 | Low | 54.5 | Low | 106 Ų | 106 | 106.1 Ų | 106.1 | 74% | 0.741 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -126.8 | 3.4 | -179.1 | -72.7 | 0 | 0 | 0 | 0 | 115.3 | G452 D457 | G452-S455 PolarHBondContact O-N 2.86Å; G452-S455 VanDerWaalsContact O-N 3.13Å; S455-D457 PolarHBondContact O-N 3.5Å |
| 456 | S | 47.9 | Very low | 52.5 | Low | 102 Ų | 102 | 107.9 Ų | 107.9 | 71% | 0.713 | 65% | 0.647 | S | S | * | * | trans | -99.6 | 59 | -177.6 | -176.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 457 | D | 39.8 | Very low | 51.1 | Low | 166 Ų | 166 | 112.5 Ų | 112.5 | 89% | 0.888 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -151.8 | 35 | 174.6 | -112.4 | -16.9 | 0 | 0 | 0 | 114.6 | S455 | S455-D457 PolarHBondContact O-N 3.5Š|
| 458 | N | 43 | Very low | 49.4 | Very low | 142 Ų | 142 | 116.8 Ų | 116.8 | 76% | 0.759 | 68% | 0.681 | S | S | * | * | trans | -159.6 | 93.4 | 158.2 | -166.7 | 5.2 | 0 | 0 | 0 | 112.6 | T460 | N458-T460 PolarHBondContact OD1-N 3.17Š| ||
| 459 | S | 46.2 | Very low | 47.9 | Very low | 116 Ų | 116 | 118.5 Ų | 118.5 | 81% | 0.811 | 69% | 0.69 | S | S | * | * | trans | -124.6 | 74 | 156.7 | -167.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 460 | T | 42.5 | Very low | 46.5 | Very low | 112 Ų | 112 | 120.8 Ų | 120.8 | 69% | 0.687 | 70% | 0.704 | S | S | * | * | trans | 36.9 | 90.7 | 142.4 | 42.7 | 0 | 0 | 0 | 0 | 117.1 | N458 | N458-T460 PolarHBondContact OD1-N 3.17Š| ||
| 461 | T | 40.6 | Very low | 45.2 | Very low | 126 Ų | 126 | 125.9 Ų | 125.9 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | trans | -47.9 | 157 | 148.6 | -14.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 462 | T | 42.9 | Very low | 44.6 | Very low | 112 Ų | 112 | 130.9 Ų | 130.9 | 69% | 0.687 | 75% | 0.748 | S | S | * | * | trans | 82.5 | 101.6 | 142.1 | -56.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 463 | T | 42.4 | Very low | 44.1 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | 75.8 | 129.8 | 140.5 | 58.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 464 | N | 46.4 | Very low | 43.5 | Very low | 159 Ų | 159 | 130.3 Ų | 130.3 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | trans | -60.5 | 159.7 | 162.1 | -59.5 | -39.6 | 0 | 0 | 0 | 113.4 | ||||
| 465 | A | 43.6 | Very low | 43.2 | Very low | 92 Ų | 92 | 130.7 Ų | 130.7 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | trans | 86.1 | 141.6 | 154.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 466 | T | 39.1 | Very low | 43.1 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | 82 | 88.1 | 159.3 | -5.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 467 | K | 48.2 | Very low | 42.9 | Very low | 166 Ų | 166 | 136.8 Ų | 136.8 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | 60.5 | 136.5 | 124.3 | -75.2 | 178.9 | 151.8 | -128.2 | 0 | 121.8 | |||||
| 468 | E | 37.4 | Very low | 43.2 | Very low | 141 Ų | 141 | 135.9 Ų | 135.9 | 66% | 0.659 | 76% | 0.764 | S | S | * | * | trans | 79.9 | 126.6 | 139 | -73.3 | 160.7 | -149.4 | 0 | 0 | 119.3 | ||||
| 469 | N | 40.9 | Very low | 43.7 | Very low | 150 Ų | 150 | 134.2 Ų | 134.2 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | trans | 47.8 | 114.7 | 155 | -65.4 | -14.7 | 0 | 0 | 0 | 119.2 | ||||
| 470 | T | 42.4 | Very low | 43.9 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | -176.2 | 126.1 | 107.3 | -77.1 | 0 | 0 | 0 | 0 | 110 | I472 | T470-I472 HydrophobicContact CG2-CD1 4.42Š| |||
| 471 | M | 38 | Very low | 44.7 | Very low | 179 Ų | 179 | 131.3 Ų | 131.3 | 88% | 0.882 | 74% | 0.744 | S | S | * | * | trans | -68.6 | 138.3 | 163.8 | -53.8 | 174.5 | -170.6 | 0 | 0 | 108.6 | ||||
| 472 | I | 48.6 | Very low | 45.7 | Very low | 156 Ų | 156 | 129.6 Ų | 129.6 | 80% | 0.8 | 73% | 0.73 | S | S | * | * | trans | -176.5 | 130.7 | 147.8 | -99.2 | 148.8 | 0 | 0 | 0 | 111.1 | T470 | T470-I472 HydrophobicContact CG2-CD1 4.42Š| ||
| 473 | N | 40.3 | Very low | 46.8 | Very low | 125 Ų | 125 | 129.6 Ų | 129.6 | 67% | 0.668 | 73% | 0.726 | S | S | * | * | trans | 60.1 | 107.8 | 153.7 | -167.4 | 25.1 | 0 | 0 | 0 | 121 | N475 | N473-N475 PolarHBondContact OD1-N 2.84Å; N473-N475 VanDerWaalsContact OD1-N 3.14Å | ||
| 474 | G | 39.8 | Very low | 48.5 | Very low | 70 Ų | 70 | 124.4 Ų | 124.4 | 72% | 0.722 | 70% | 0.698 | S | S | * | * | trans | -113.2 | 6.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | N476 | G474-N476 PolarHBondContact O-N 2.83Š| ||
| 475 | N | 45.2 | Very low | 50.1 | Low | 145 Ų | 145 | 120.4 Ų | 120.4 | 78% | 0.775 | 68% | 0.677 | S | S | * | * | trans | -102.4 | 46.5 | -160.4 | -65.6 | 7.7 | 0 | 0 | 0 | 114 | N473 | N473-N475 PolarHBondContact OD1-N 2.84Å; N473-N475 VanDerWaalsContact OD1-N 3.14Å | ||
| 476 | N | 49.1 | Very low | 52.1 | Low | 132 Ų | 132 | 120 Ų | 120 | 71% | 0.706 | 66% | 0.661 | S | S | * | * | trans | -153.9 | 25.1 | 179.6 | -116.4 | -13.7 | 0 | 0 | 0 | 117.9 | G474 | G474-N476 PolarHBondContact O-N 2.83Š| ||
| 477 | K | 45.3 | Very low | 54.2 | Low | 204 Ų | 204 | 119.5 Ų | 119.5 | 89% | 0.887 | 65% | 0.651 | S | S | * | * | trans | -104 | 57 | 178.5 | -164.5 | 177 | 179.8 | -74.6 | 0 | 113.1 | ||||
| 478 | L | 46.3 | Very low | 56 | Low | 148 Ų | 148 | 112.5 Ų | 112.5 | 78% | 0.775 | 62% | 0.622 | S | S | * | * | trans | -136.9 | -5 | 179.4 | -149.9 | 71.6 | 0 | 0 | 0 | 115.8 | ||||
| 479 | T | 53 | Low | 58.4 | Low | 107 Ų | 107 | 111.5 Ų | 111.5 | 66% | 0.656 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -84.8 | -24.3 | -175.4 | 48.3 | 0 | 0 | 0 | 0 | 114.2 | ||
| 480 | S | 50.6 | Low | 60.6 | Low | 96 Ų | 96 | 107.9 Ų | 107.9 | 67% | 0.671 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -81.5 | -22.9 | -173.6 | -161.8 | 0 | 0 | 0 | 0 | 115 | ||
| 481 | S | 58.3 | Low | 62.8 | Low | 71 Ų | 71 | 105.3 Ų | 105.3 | 50% | 0.497 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.8 | -45.7 | 179.9 | -164.3 | 0 | 0 | 0 | 0 | 111.8 | N483 G484 D485 | S481-N483 PolarHBondContact O-N 2.85Å; S481-G484 WeakPolarHBondContact O-CA 3.49Å; S481-G484 PolarHBondContact O-N 2.66Å; S481-D485 PolarHBondContact O-N 2.77Å; S481-D485 PolarHBondContact OG-OD2 2.85Å |
| 482 | N | 62.6 | Low | 65.2 | Low | 89 Ų | 89 | 105.2 Ų | 105.2 | 48% | 0.476 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -55.1 | -32.9 | -170.4 | -60.7 | -60.7 | 0 | 0 | 0 | 113.8 | D485 I486 | N482-D485 PolarHBondContact O-N 3.35Å; N482-I486 WeakPolarHBondContact O-CB 3.24Å; N482-I486 WeakPolarHBondContact O-CD1 3.31Å; N482-I486 WeakPolarHBondContact O-CG1 3.33Å; N482-I486 PolarHBondContact O-N 3.22Å |
| 483 | N | 65.8 | Low | 67.2 | Low | 113 Ų | 113 | 101.5 Ų | 101.5 | 60% | 0.604 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -71.3 | -37.5 | 177.9 | -71.8 | -22.9 | 0 | 0 | 0 | 112.1 | S481 M487 | S481-N483 PolarHBondContact O-N 2.85Å; N483-M487 WeakPolarHBondContact O-CB 3.31Å; N483-M487 VanDerWaalsContact O-CG 3.25Å; N483-M487 WeakPolarHBondContact O-CG 3.33Å; N483-M487 PolarHBondContact O-N 3Å |
| 484 | G | 76.5 | Confident | 69.6 | Low | 22 Ų | 22 | 100.6 Ų | 100.6 | 23% | 0.227 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S481 M487 N488 | S481-G484 WeakPolarHBondContact O-CA 3.49Å; S481-G484 PolarHBondContact O-N 2.66Å; G484-M487 PolarHBondContact O-N 3.38Å; G484-N488 WeakPolarHBondContact O-CB 3.18Å; G484-N488 PolarHBondContact O-N 2.94Å; G484-N488 PolarHBondContact O-ND2 3.32Å |
| 485 | D | 81.4 | Confident | 72 | Confident | 75 Ų | 75 | 101.3 Ų | 101.3 | 40% | 0.401 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 179.8 | -59.5 | -45.9 | 0 | 0 | 0 | 112.5 | S481 N482 N488 Q489 | S481-D485 PolarHBondContact O-N 2.77Å; S481-D485 PolarHBondContact OG-OD2 2.85Å; N482-D485 PolarHBondContact O-N 3.35Å; D485-N488 PolarHBondContact O-N 2.88Å; D485-Q489 WeakPolarHBondContact O-CB 3.4Å; D485-Q489 PolarHBondContact O-N 2.81Å |
| 486 | I | 85 | Confident | 74.2 | Confident | 82 Ų | 82 | 98.2 Ų | 98.2 | 42% | 0.421 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65 | -44.1 | 173.3 | -70.2 | 162 | 0 | 0 | 0 | 110.8 | N482 Q489 I490 | N482-I486 WeakPolarHBondContact O-CB 3.24Å; N482-I486 WeakPolarHBondContact O-CD1 3.31Å; N482-I486 WeakPolarHBondContact O-CG1 3.33Å; N482-I486 PolarHBondContact O-N 3.22Å; I486-Q489 PolarHBondContact O-N 2.9Å; I486-I490 HydrophobicContact CG2-CD1 3.74Å; I486-I490 HydrophobicContact CG2-CG1 4.36Å; I486-I490 VanDerWaalsContact O-CG1 3.31Å; I486-I490 WeakPolarHBondContact O-CG1 2.97Å; I486-I490 PolarHBondContact O-N 3.37Å |
| 487 | M | 84.4 | Confident | 76.5 | Confident | 113 Ų | 113 | 97 Ų | 97 | 56% | 0.557 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.1 | -41.7 | 176.8 | -73.2 | -62.8 | -66.5 | 0 | 0 | 111.6 | N483 G484 Q489 I490 T491 | N483-M487 WeakPolarHBondContact O-CB 3.31Å; N483-M487 VanDerWaalsContact O-CG 3.25Å; N483-M487 WeakPolarHBondContact O-CG 3.33Å; N483-M487 PolarHBondContact O-N 3Å; G484-M487 PolarHBondContact O-N 3.38Å; M487-Q489 VanDerWaalsContact C-N 3.32Å; M487-Q489 PolarHBondContact O-N 2.94Å; M487-I490 PolarHBondContact O-N 3.49Å; M487-T491 WeakPolarHBondContact O-CB 3.46Å; M487-T491 PolarHBondContact O-N 2.86Å; M487-T491 PolarHBondContact O-OG1 2.87Å |
| 488 | N | 85.3 | Confident | 78.7 | Confident | 18 Ų | 18 | 93.4 Ų | 93.4 | 10% | 0.096 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -61.2 | -39.9 | 173.3 | -71 | -24.3 | 0 | 0 | 0 | 111.9 | M447 T451 G484 D485 R492 | M447-N488 HydrophobicContact SD-CB 3.8Å; M447-N488 VanDerWaalsContact SD-CG 3.59Å; T451-N488 WeakPolarHBondContact CG2-ND2 3.34Å; G484-N488 WeakPolarHBondContact O-CB 3.18Å; G484-N488 PolarHBondContact O-N 2.94Å; G484-N488 PolarHBondContact O-ND2 3.32Å; D485-N488 PolarHBondContact O-N 2.88Å; N488-R492 WeakPolarHBondContact O-CB 3.35Å; N488-R492 PolarHBondContact O-N 3.21Å |
| 489 | Q | 87 | Confident | 81.1 | Confident | 120 Ų | 120 | 92 Ų | 92 | 56% | 0.561 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.1 | -45.9 | 175.3 | -171.8 | 179.7 | 38.8 | 0 | 0 | 111.8 | D485 I486 M487 R492 I493 | D485-Q489 WeakPolarHBondContact O-CB 3.4Å; D485-Q489 PolarHBondContact O-N 2.81Å; I486-Q489 PolarHBondContact O-N 2.9Å; M487-Q489 VanDerWaalsContact C-N 3.32Å; M487-Q489 PolarHBondContact O-N 2.94Å; Q489-R492 PolarHBondContact O-N 3.43Å; Q489-I493 HydrophobicContact CG-CD1 3.93Å; Q489-I493 VanDerWaalsContact O-CG1 3.3Å; Q489-I493 WeakPolarHBondContact O-CG1 3.28Å; Q489-I493 PolarHBondContact O-N 2.89Å |
| 490 | I | 88 | Confident | 83 | Confident | 75 Ų | 75 | 89.8 Ų | 89.8 | 39% | 0.385 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.6 | -46.8 | 175.7 | -69.6 | 167.3 | 0 | 0 | 0 | 110.1 | I486 M487 R492 I493 L494 | I486-I490 HydrophobicContact CG2-CD1 3.74Å; I486-I490 HydrophobicContact CG2-CG1 4.36Å; I486-I490 VanDerWaalsContact O-CG1 3.31Å; I486-I490 WeakPolarHBondContact O-CG1 2.97Å; I486-I490 PolarHBondContact O-N 3.37Å; M487-I490 PolarHBondContact O-N 3.49Å; I490-R492 VanDerWaalsContact C-N 3.32Å; I490-R492 PolarHBondContact O-N 2.98Å; I490-I493 PolarHBondContact O-N 3.1Å; I490-L494 HydrophobicContact CG2-CD1 3.72Å; I490-L494 HydrophobicContact CG2-CG 4.19Å; I490-L494 WeakPolarHBondContact O-CB 3.28Å; I490-L494 VanDerWaalsContact O-CG 3.3Å; I490-L494 WeakPolarHBondContact O-CG 3.32Å; I490-L494 PolarHBondContact O-N 3.34Å |
| 491 | T | 87.7 | Confident | 85.2 | Confident | 72 Ų | 72 | 90.7 Ų | 90.7 | 44% | 0.442 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 176.4 | -62.3 | 0 | 0 | 0 | 0 | 111.8 | M487 N495 | M487-T491 WeakPolarHBondContact O-CB 3.46Å; M487-T491 PolarHBondContact O-N 2.86Å; M487-T491 PolarHBondContact O-OG1 2.87Å; T491-N495 WeakPolarHBondContact O-CB 3.46Å; T491-N495 PolarHBondContact O-N 3.33Å |
| 492 | R | 87.9 | Confident | 86.9 | Confident | 176 Ų | 176 | 92.1 Ų | 92.1 | 66% | 0.664 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.6 | -44.2 | 175.1 | -171.6 | -177.2 | -63.6 | -171.1 | -0.3 | 112.3 | N488 Q489 I490 N495 C496 | N488-R492 WeakPolarHBondContact O-CB 3.35Å; N488-R492 PolarHBondContact O-N 3.21Å; Q489-R492 PolarHBondContact O-N 3.43Å; I490-R492 VanDerWaalsContact C-N 3.32Å; I490-R492 PolarHBondContact O-N 2.98Å; R492-N495 PolarHBondContact O-N 2.66Å; R492-C496 WeakPolarHBondContact O-CB 3.39Å; R492-C496 PolarHBondContact O-N 3.01Å |
| 493 | I | 90.7 | Very high | 88.4 | Confident | 78 Ų | 78 | 96 Ų | 96 | 40% | 0.4 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.9 | -46.5 | 177.8 | -68.5 | 165.5 | 0 | 0 | 0 | 110.5 | Q489 I490 N495 C496 H497 | Q489-I493 HydrophobicContact CG-CD1 3.93Å; Q489-I493 VanDerWaalsContact O-CG1 3.3Å; Q489-I493 WeakPolarHBondContact O-CG1 3.28Å; Q489-I493 PolarHBondContact O-N 2.89Å; I490-I493 PolarHBondContact O-N 3.1Å; I493-N495 VanDerWaalsContact C-N 3.34Å; I493-N495 PolarHBondContact O-N 3.22Å; I493-C496 PolarHBondContact O-N 2.85Å; I493-H497 WeakPolarHBondContact O-CB 3.34Å; I493-H497 PolarHBondContact O-CD2 2.98Å; I493-H497 PolarHBondContact O-N 3.38Å |
| 494 | L | 91.2 | Very high | 89.8 | Confident | 107 Ų | 107 | 94.3 Ų | 94.3 | 56% | 0.56 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.1 | -39.3 | 177.3 | -70.9 | 174.8 | 0 | 0 | 0 | 112.1 | I490 H497 M498 | I490-L494 HydrophobicContact CG2-CD1 3.72Å; I490-L494 HydrophobicContact CG2-CG 4.19Å; I490-L494 WeakPolarHBondContact O-CB 3.28Å; I490-L494 VanDerWaalsContact O-CG 3.3Å; I490-L494 WeakPolarHBondContact O-CG 3.32Å; I490-L494 PolarHBondContact O-N 3.34Å; L494-H497 PolarHBondContact O-N 3.35Å; L494-M498 WeakPolarHBondContact O-CB 3.38Å; L494-M498 PolarHBondContact O-N 3.42Å |
| 495 | N | 91.1 | Very high | 90.7 | Very high | 85 Ų | 85 | 99.1 Ų | 99.1 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 174.8 | -174.5 | -47.7 | 0 | 0 | 0 | 111.2 | T491 R492 I493 M498 H499 | T491-N495 WeakPolarHBondContact O-CB 3.46Å; T491-N495 PolarHBondContact O-N 3.33Å; R492-N495 PolarHBondContact O-N 2.66Å; I493-N495 VanDerWaalsContact C-N 3.34Å; I493-N495 PolarHBondContact O-N 3.22Å; N495-M498 WeakPolarHBondContact O-CB 3.43Å; N495-M498 PolarHBondContact O-N 2.86Å; N495-H499 PolarHBondContact O-N 3.37Å; N495-H499 PolarHBondContact O-ND1 3.29Å; N495-H499 PolarHBondContact OD1-CE1 2.97Å; N495-H499 PolarHBondContact OD1-ND1 3.44Å |
| 496 | C | 91.6 | Very high | 91.3 | Very high | 80 Ų | 80 | 101.6 Ų | 101.6 | 54% | 0.541 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 173.8 | -176.9 | 0 | 0 | 0 | 0 | 112.2 | R492 I493 M498 H499 S500 | R492-C496 WeakPolarHBondContact O-CB 3.39Å; R492-C496 PolarHBondContact O-N 3.01Å; I493-C496 PolarHBondContact O-N 2.85Å; C496-M498 VanDerWaalsContact C-N 3.34Å; C496-M498 PolarHBondContact O-N 3.47Å; C496-H499 PolarHBondContact O-N 2.82Å; C496-S500 WeakPolarHBondContact O-CB 3.41Å; C496-S500 PolarHBondContact O-N 3.12Å |
| 497 | H | 95.8 | Very high | 91.8 | Very high | 105 Ų | 105 | 100 Ų | 100 | 49% | 0.486 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.9 | -39.1 | 174.7 | -71.8 | -172.6 | 0 | 0 | 0 | 111.9 | I493 L494 S500 L501 | I493-H497 WeakPolarHBondContact O-CB 3.34Å; I493-H497 PolarHBondContact O-CD2 2.98Å; I493-H497 PolarHBondContact O-N 3.38Å; L494-H497 PolarHBondContact O-N 3.35Å; H497-S500 PolarHBondContact O-N 3.01Å; H497-L501 VanDerWaalsContact O-CB 3.31Å; H497-L501 WeakPolarHBondContact O-CB 3.3Å; H497-L501 VanDerWaalsContact O-CG 3.25Å; H497-L501 WeakPolarHBondContact O-CG 3.4Å; H497-L501 PolarHBondContact O-N 2.74Å |
| 498 | M | 93.5 | Very high | 92.3 | Very high | 130 Ų | 130 | 98.1 Ų | 98.1 | 64% | 0.64 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.1 | -43.7 | 174 | -176.9 | -170.6 | -178.8 | 0 | 0 | 111.6 | L494 N495 C496 L501 N502 | L494-M498 WeakPolarHBondContact O-CB 3.38Å; L494-M498 PolarHBondContact O-N 3.42Å; N495-M498 WeakPolarHBondContact O-CB 3.43Å; N495-M498 PolarHBondContact O-N 2.86Å; C496-M498 VanDerWaalsContact C-N 3.34Å; C496-M498 PolarHBondContact O-N 3.47Å; M498-L501 PolarHBondContact O-N 2.94Å; M498-N502 VanDerWaalsContact O-CB 3.28Å; M498-N502 WeakPolarHBondContact O-CB 3.44Å; M498-N502 PolarHBondContact O-N 3.44Å |
| 499 | H | 94.9 | Very high | 92.7 | Very high | 118 Ų | 118 | 100.6 Ų | 100.6 | 55% | 0.546 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.9 | -43.2 | 176.6 | -77.6 | 71.2 | 0 | 0 | 0 | 111.9 | N495 C496 N502 W503 | N495-H499 PolarHBondContact O-N 3.37Å; N495-H499 PolarHBondContact O-ND1 3.29Å; N495-H499 PolarHBondContact OD1-CE1 2.97Å; N495-H499 PolarHBondContact OD1-ND1 3.44Å; C496-H499 PolarHBondContact O-N 2.82Å; H499-N502 PolarHBondContact O-N 3.14Å; H499-W503 WeakPolarHBondContact O-CB 3.3Å; H499-W503 PolarHBondContact O-N 2.89Å |
| 500 | S | 94.8 | Very high | 93 | Very high | 60 Ų | 60 | 98.6 Ų | 98.6 | 42% | 0.42 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 174.9 | -177.5 | 0 | 0 | 0 | 0 | 111.8 | C496 H497 N502 W503 I504 | C496-S500 WeakPolarHBondContact O-CB 3.41Å; C496-S500 PolarHBondContact O-N 3.12Å; H497-S500 PolarHBondContact O-N 3.01Å; S500-N502 PolarHBondContact O-N 2.77Å; S500-W503 PolarHBondContact O-N 3.3Å; S500-I504 VanDerWaalsContact O-CG1 3.26Å; S500-I504 WeakPolarHBondContact O-CG1 3.46Å; S500-I504 PolarHBondContact O-N 2.93Å |
| 501 | L | 95.4 | Very high | 93.2 | Very high | 116 Ų | 116 | 99.6 Ų | 99.6 | 61% | 0.607 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.1 | -37.5 | 175.7 | -73.5 | 171.4 | 0 | 0 | 0 | 112.6 | H497 M498 I504 H505 | H497-L501 VanDerWaalsContact O-CB 3.31Å; H497-L501 WeakPolarHBondContact O-CB 3.3Å; H497-L501 VanDerWaalsContact O-CG 3.25Å; H497-L501 WeakPolarHBondContact O-CG 3.4Å; H497-L501 PolarHBondContact O-N 2.74Å; M498-L501 PolarHBondContact O-N 2.94Å; L501-I504 PolarHBondContact O-N 3.28Å; L501-H505 WeakPolarHBondContact O-CB 3.38Å; L501-H505 PolarHBondContact O-N 3.49Å |
| 502 | N | 94.8 | Very high | 93.3 | Very high | 100 Ų | 100 | 100.5 Ų | 100.5 | 54% | 0.535 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.4 | -39.4 | 175.8 | -166.3 | 14.5 | 0 | 0 | 0 | 111.5 | M498 H499 S500 H505 H506 | M498-N502 VanDerWaalsContact O-CB 3.28Å; M498-N502 WeakPolarHBondContact O-CB 3.44Å; M498-N502 PolarHBondContact O-N 3.44Å; H499-N502 PolarHBondContact O-N 3.14Å; S500-N502 PolarHBondContact O-N 2.77Å; N502-H505 PolarHBondContact O-N 2.79Å; N502-H506 WeakPolarHBondContact O-CB 3.5Å; N502-H506 PolarHBondContact O-N 2.92Å |
| 503 | W | 94.1 | Very high | 93.5 | Very high | 171 Ų | 171 | 95.1 Ų | 95.1 | 65% | 0.648 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.9 | -46.7 | 172.5 | -177 | 89.5 | 0 | 0 | 0 | 111.7 | H499 S500 H505 H506 N507 | H499-W503 WeakPolarHBondContact O-CB 3.3Å; H499-W503 PolarHBondContact O-N 2.89Å; S500-W503 PolarHBondContact O-N 3.3Å; W503-H505 VanDerWaalsContact C-N 3.32Å; W503-H505 PolarHBondContact O-N 2.83Å; W503-H506 PolarHBondContact O-N 2.93Å; W503-N507 WeakPolarHBondContact CH2-ND2 3.4Å; W503-N507 VanDerWaalsContact O-CB 3.24Å; W503-N507 WeakPolarHBondContact O-CB 3.39Å; W503-N507 PolarHBondContact O-N 3.09Å |
| 504 | I | 95 | Very high | 93.6 | Very high | 78 Ų | 78 | 99 Ų | 99 | 40% | 0.4 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 174.6 | -68 | 166.1 | 0 | 0 | 0 | 110.3 | S500 L501 T508 | S500-I504 VanDerWaalsContact O-CG1 3.26Å; S500-I504 WeakPolarHBondContact O-CG1 3.46Å; S500-I504 PolarHBondContact O-N 2.93Å; L501-I504 PolarHBondContact O-N 3.28Å; I504-T508 WeakPolarHBondContact O-CB 3.41Å; I504-T508 PolarHBondContact O-N 3.44Å; I504-T508 PolarHBondContact O-OG1 3.03Å |
| 505 | H | 95.3 | Very high | 93.5 | Very high | 123 Ų | 123 | 98.9 Ų | 98.9 | 57% | 0.569 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.8 | -46.8 | 178.7 | 177.4 | -95.1 | 0 | 0 | 0 | 112 | L501 N502 W503 T508 Q509 | L501-H505 WeakPolarHBondContact O-CB 3.38Å; L501-H505 PolarHBondContact O-N 3.49Å; N502-H505 PolarHBondContact O-N 2.79Å; W503-H505 VanDerWaalsContact C-N 3.32Å; W503-H505 PolarHBondContact O-N 2.83Å; H505-T508 PolarHBondContact O-N 3.24Å; H505-Q509 WeakPolarHBondContact O-CB 3.43Å; H505-Q509 PolarHBondContact O-N 3.46Å |
| 506 | H | 94.4 | Very high | 93.4 | Very high | 126 Ų | 126 | 99.6 Ų | 99.6 | 58% | 0.583 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.1 | -46 | 177.3 | -175.6 | 67.4 | 0 | 0 | 0 | 112 | N502 W503 Q509 E510 | N502-H506 WeakPolarHBondContact O-CB 3.5Å; N502-H506 PolarHBondContact O-N 2.92Å; W503-H506 PolarHBondContact O-N 2.93Å; H506-Q509 PolarHBondContact O-N 3.26Å; H506-E510 PolarHBondContact O-N 3.34Å |
| 507 | N | 94.2 | Very high | 93.2 | Very high | 48 Ų | 48 | 101.7 Ų | 101.7 | 26% | 0.257 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 176.1 | -171 | -15.6 | 0 | 0 | 0 | 111.3 | W503 Q509 E510 I511 | W503-N507 WeakPolarHBondContact CH2-ND2 3.4Å; W503-N507 VanDerWaalsContact O-CB 3.24Å; W503-N507 WeakPolarHBondContact O-CB 3.39Å; W503-N507 PolarHBondContact O-N 3.09Å; N507-Q509 VanDerWaalsContact C-N 3.33Å; N507-Q509 PolarHBondContact O-N 3.38Å; N507-E510 PolarHBondContact O-N 3.2Å; N507-I511 WeakPolarHBondContact O-CB 3.39Å; N507-I511 VanDerWaalsContact O-CG1 3.31Å; N507-I511 WeakPolarHBondContact O-CG1 3.26Å; N507-I511 PolarHBondContact O-N 3.17Å; N507-I511 VanDerWaalsContact OD1-CD1 3.26Å; N507-I511 WeakPolarHBondContact OD1-CD1 3.48Å |
| 508 | T | 95.1 | Very high | 92.5 | Very high | 75 Ų | 75 | 104 Ų | 104 | 46% | 0.46 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -39.5 | 174.3 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | I504 H505 M512 | I504-T508 WeakPolarHBondContact O-CB 3.41Å; I504-T508 PolarHBondContact O-N 3.44Å; I504-T508 PolarHBondContact O-OG1 3.03Å; H505-T508 PolarHBondContact O-N 3.24Å; T508-M512 VanDerWaalsContact O-CB 3.31Å; T508-M512 WeakPolarHBondContact O-CB 3.35Å; T508-M512 PolarHBondContact O-N 2.95Å |
| 509 | Q | 93.7 | Very high | 91.5 | Very high | 69 Ų | 69 | 103.6 Ų | 103.6 | 32% | 0.322 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67 | -43 | 175.5 | -177.4 | 60.1 | 37.5 | 0 | 0 | 111.4 | H505 H506 N507 M512 D513 | H505-Q509 WeakPolarHBondContact O-CB 3.43Å; H505-Q509 PolarHBondContact O-N 3.46Å; H506-Q509 PolarHBondContact O-N 3.26Å; N507-Q509 VanDerWaalsContact C-N 3.33Å; N507-Q509 PolarHBondContact O-N 3.38Å; Q509-M512 WeakPolarHBondContact O-CB 3.33Å; Q509-M512 PolarHBondContact O-N 3.49Å; Q509-D513 PolarHBondContact NE2-OD1 3.42Å; Q509-D513 VanDerWaalsContact NE2-OD1 3.12Å; Q509-D513 PolarHBondContact NE2-OD2 3.21Å; Q509-D513 PolarHBondContact O-N 3.23Å |
| 510 | E | 93 | Very high | 89.7 | Confident | 79 Ų | 79 | 101 Ų | 101 | 37% | 0.369 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 175.3 | -163.3 | -162.7 | 151.3 | 0 | 0 | 111.4 | H506 N507 M512 D513 R514 | H506-E510 PolarHBondContact O-N 3.34Å; N507-E510 PolarHBondContact O-N 3.2Å; E510-M512 VanDerWaalsContact C-N 3.34Å; E510-M512 PolarHBondContact O-N 2.85Å; E510-D513 PolarHBondContact O-N 3.47Å; E510-R514 WeakPolarHBondContact O-CB 3.22Å; E510-R514 VanDerWaalsContact O-CG 3.24Å; E510-R514 WeakPolarHBondContact O-CG 3.36Å; E510-R514 PolarHBondContact O-N 3.25Å; E510-R514 IonicContact OE1-CZ 2.66Å; E510-R514 IonicContact OE1-NE 2.89Å; E510-R514 PolarHBondContact OE1-NE 3.31Å; E510-R514 IonicContact OE1-NH2 2.77Å; E510-R514 PolarHBondContact OE1-NH2 3.09Å |
| 511 | I | 92.5 | Very high | 87.8 | Confident | 96 Ų | 96 | 104 Ų | 104 | 49% | 0.492 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 173.3 | -69.2 | 168.7 | 0 | 0 | 0 | 110.7 | N507 L515 | N507-I511 WeakPolarHBondContact O-CB 3.39Å; N507-I511 VanDerWaalsContact O-CG1 3.31Å; N507-I511 WeakPolarHBondContact O-CG1 3.26Å; N507-I511 PolarHBondContact O-N 3.17Å; N507-I511 VanDerWaalsContact OD1-CD1 3.26Å; N507-I511 WeakPolarHBondContact OD1-CD1 3.48Å; I511-L515 WeakPolarHBondContact O-CB 3.36Å; I511-L515 PolarHBondContact O-N 3.28Å |
| 512 | M | 91.3 | Very high | 85.6 | Confident | 90 Ų | 90 | 107.1 Ų | 107.1 | 44% | 0.443 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65 | -40.4 | 177.2 | -171.5 | -174.1 | -65.3 | 0 | 0 | 111.9 | T508 Q509 E510 L515 K516 | T508-M512 VanDerWaalsContact O-CB 3.31Å; T508-M512 WeakPolarHBondContact O-CB 3.35Å; T508-M512 PolarHBondContact O-N 2.95Å; Q509-M512 WeakPolarHBondContact O-CB 3.33Å; Q509-M512 PolarHBondContact O-N 3.49Å; E510-M512 VanDerWaalsContact C-N 3.34Å; E510-M512 PolarHBondContact O-N 2.85Å; M512-L515 CarbonylContact O-C 3.54Å; M512-L515 PolarHBondContact O-N 3.15Å; M512-K516 WeakPolarHBondContact O-CG 3.26Å; M512-K516 PolarHBondContact O-N 2.89Å |
| 513 | D | 91.6 | Very high | 85.1 | Confident | 64 Ų | 64 | 107.5 Ų | 107.5 | 34% | 0.342 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -74.2 | -38.8 | 179 | -69.2 | -29 | 0 | 0 | 0 | 111.6 | Q509 E510 L515 K516 V517 | Q509-D513 PolarHBondContact NE2-OD1 3.42Å; Q509-D513 VanDerWaalsContact NE2-OD1 3.12Å; Q509-D513 PolarHBondContact NE2-OD2 3.21Å; Q509-D513 PolarHBondContact O-N 3.23Å; E510-D513 PolarHBondContact O-N 3.47Å; D513-L515 VanDerWaalsContact C-N 3.25Å; D513-L515 PolarHBondContact O-N 3.28Å; D513-K516 PolarHBondContact O-N 2.78Å; D513-K516 IonicContact OD1-NZ 3.13Å; D513-K516 PolarHBondContact OD1-NZ 3.27Å; D513-V517 WeakPolarHBondContact O-CG2 3.01Å; D513-V517 PolarHBondContact O-N 3.29Å |
| 514 | R | 92.2 | Very high | 84.6 | Confident | 158 Ų | 158 | 104.2 Ų | 104.2 | 60% | 0.596 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -57.6 | -38.9 | 166.2 | -73 | 171.6 | 179.4 | -106.9 | 7.4 | 111.5 | E510 V517 L518 | E510-R514 WeakPolarHBondContact O-CB 3.22Å; E510-R514 VanDerWaalsContact O-CG 3.24Å; E510-R514 WeakPolarHBondContact O-CG 3.36Å; E510-R514 PolarHBondContact O-N 3.25Å; E510-R514 IonicContact OE1-CZ 2.66Å; E510-R514 IonicContact OE1-NE 2.89Å; E510-R514 PolarHBondContact OE1-NE 3.31Å; E510-R514 IonicContact OE1-NH2 2.77Å; E510-R514 PolarHBondContact OE1-NH2 3.09Å; R514-V517 PolarHBondContact O-N 3.36Å; R514-L518 WeakPolarHBondContact O-CG 3.3Å; R514-L518 PolarHBondContact O-N 3.21Å |
| 515 | L | 89 | Confident | 84.1 | Confident | 105 Ų | 105 | 105.6 Ų | 105.6 | 55% | 0.55 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -71 | -35.4 | 176.8 | -175.1 | 141.6 | 0 | 0 | 0 | 112.6 | I511 M512 D513 L518 N519 | I511-L515 WeakPolarHBondContact O-CB 3.36Å; I511-L515 PolarHBondContact O-N 3.28Å; M512-L515 CarbonylContact O-C 3.54Å; M512-L515 PolarHBondContact O-N 3.15Å; D513-L515 VanDerWaalsContact C-N 3.25Å; D513-L515 PolarHBondContact O-N 3.28Å; L515-L518 PolarHBondContact O-N 3.34Å; L515-N519 VanDerWaalsContact O-CB 3.22Å; L515-N519 WeakPolarHBondContact O-CB 3.48Å; L515-N519 PolarHBondContact O-N 3.22Å |
| 516 | K | 89.5 | Confident | 83.4 | Confident | 101 Ų | 101 | 104.6 Ų | 104.6 | 44% | 0.439 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.5 | -44 | 170.7 | -71.3 | 168.5 | -165.8 | 156.7 | 0 | 111.7 | M512 D513 L518 N519 G520 | M512-K516 WeakPolarHBondContact O-CG 3.26Å; M512-K516 PolarHBondContact O-N 2.89Å; D513-K516 PolarHBondContact O-N 2.78Å; D513-K516 IonicContact OD1-NZ 3.13Å; D513-K516 PolarHBondContact OD1-NZ 3.27Å; K516-L518 VanDerWaalsContact C-N 3.34Å; K516-N519 PolarHBondContact O-N 3.2Å; K516-G520 PolarHBondContact O-N 3.44Å |
| 517 | V | 87.8 | Confident | 82.7 | Confident | 124 Ų | 124 | 103.3 Ų | 103.3 | 75% | 0.752 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.5 | -42.5 | 175.8 | 172.2 | 0 | 0 | 0 | 0 | 111 | D513 R514 | D513-V517 WeakPolarHBondContact O-CG2 3.01Å; D513-V517 PolarHBondContact O-N 3.29Å; R514-V517 PolarHBondContact O-N 3.36Å |
| 518 | L | 80.1 | Confident | 81.9 | Confident | 152 Ų | 152 | 106.9 Ų | 106.9 | 80% | 0.796 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.4 | -34 | 175.5 | -74.5 | 166.6 | 0 | 0 | 0 | 113.4 | R514 L515 K516 G520 | R514-L518 WeakPolarHBondContact O-CG 3.3Å; R514-L518 PolarHBondContact O-N 3.21Å; L515-L518 PolarHBondContact O-N 3.34Å; K516-L518 VanDerWaalsContact C-N 3.34Å; L518-G520 PolarHBondContact O-N 3.17Å |
| 519 | N | 73.8 | Confident | 81 | Confident | 123 Ų | 123 | 109.2 Ų | 109.2 | 66% | 0.658 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | 11.5 | -177.6 | -156.1 | 53 | 0 | 0 | 0 | 113.8 | L515 K516 V521 | L515-N519 VanDerWaalsContact O-CB 3.22Å; L515-N519 WeakPolarHBondContact O-CB 3.48Å; L515-N519 PolarHBondContact O-N 3.22Å; K516-N519 PolarHBondContact O-N 3.2Å; N519-V521 VanDerWaalsContact C-N 3.34Å; N519-V521 PolarHBondContact O-N 2.93Å |
| 520 | G | 56.9 | Low | 80 | Confident | 62 Ų | 62 | 112.3 Ų | 112.3 | 64% | 0.639 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68 | 22.3 | 160.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | K516 L518 S522 | K516-G520 PolarHBondContact O-N 3.44Å; L518-G520 PolarHBondContact O-N 3.17Å; G520-S522 PolarHBondContact O-N 3.15Å |
| 521 | V | 54.5 | Low | 78.9 | Confident | 125 Ų | 125 | 115.1 Ų | 115.1 | 76% | 0.758 | 64% | 0.644 | S | S | * | * | trans | -91.6 | 79 | 171.6 | -171.3 | 0 | 0 | 0 | 0 | 109.4 | N519 | N519-V521 VanDerWaalsContact C-N 3.34Å; N519-V521 PolarHBondContact O-N 2.93Å | ||
| 522 | S | 48.3 | Very low | 77.7 | Confident | 181 Ų | 181 | 116.8 Ų | 116.8 | 100% | 1.266 | 66% | 0.658 | S | S | * | * | trans | -102.4 | 0 | 147.1 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | G520 | G520-S522 PolarHBondContact O-N 3.15Š|
Retrieved 522 of 522 residues in 108.2 ms
(Link to these results)