| 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 | 35.2 | Very low | 38.6 | Very low | 232 Ų | 232 | 149.3 Ų | 149.3 | 100% | 1.143 | 84% | 0.841 | S | S | * | * | 0 | 100.9 | 0 | -62 | 169.7 | 82.7 | 0 | 0 | 106.1 | |||||
| 2 | S | 34.6 | Very low | 37.9 | Very low | 100 Ų | 100 | 145.9 Ų | 145.9 | 70% | 0.699 | 83% | 0.834 | S | S | * | * | 88 | 86.2 | 108.9 | -50.4 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 3 | H | 38.8 | Very low | 38.4 | Very low | 199 Ų | 199 | 143.7 Ų | 143.7 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | 73.4 | 114.5 | 83.3 | -72.3 | -63.1 | 0 | 0 | 0 | 113.9 | |||||
| 4 | G | 34.9 | Very low | 38.2 | Very low | 75 Ų | 75 | 145.4 Ų | 145.4 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | trans | -179.5 | 120.5 | 173 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 5 | P | 54.3 | Low | 37.9 | Very low | 128 Ų | 128 | 146.7 Ų | 146.7 | 83% | 0.831 | 83% | 0.828 | S | S | * | * | trans | -107.2 | 171.6 | -167.1 | 39.9 | -35.6 | 0 | 0 | 0 | 115.5 | ||||
| 6 | S | 38.3 | Very low | 37.5 | Very low | 114 Ų | 114 | 144.1 Ų | 144.1 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | trans | -70.1 | 163.8 | 171.8 | -40.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 7 | P | 52.8 | Low | 37.4 | Very low | 125 Ų | 125 | 147.4 Ų | 147.4 | 81% | 0.812 | 83% | 0.825 | S | S | * | * | trans | -107.3 | 153.5 | 144.5 | 35.2 | -28.8 | 0 | 0 | 0 | 112.6 | ||||
| 8 | R | 37.5 | Very low | 37.2 | Very low | 241 Ų | 241 | 142.9 Ų | 142.9 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | trans | -104.6 | 159.3 | 161.1 | -75.9 | -179 | 165.9 | -157.4 | -1.8 | 109.1 | ||||
| 9 | L | 34.3 | Very low | 37.1 | Very low | 176 Ų | 176 | 141.7 Ų | 141.7 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | 167.1 | 147.2 | 153.4 | -90 | 167.3 | 0 | 0 | 0 | 106.4 | ||||
| 10 | A | 34.1 | Very low | 37.1 | Very low | 74 Ų | 74 | 142.9 Ų | 142.9 | 61% | 0.612 | 82% | 0.82 | S | S | * | * | cis | -156.9 | 158.1 | -21.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 11 | E | 29.8 | Very low | 37 | Very low | 178 Ų | 178 | 143.8 Ų | 143.8 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | trans | 10.9 | 119.5 | 147.7 | -61.9 | 175.5 | 126 | 0 | 0 | 119.7 | ||||
| 12 | S | 29.8 | Very low | 37.1 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | 98.6 | 164.6 | 87.8 | -68.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 13 | P | 44.9 | Very low | 37.5 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | cis | -129.6 | 173.8 | 0.7 | 42.7 | -27.5 | 0 | 0 | 0 | 116.8 | ||||
| 14 | Q | 35.2 | Very low | 37.3 | Very low | 168 Ų | 168 | 140.2 Ų | 140.2 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -7.7 | 137.2 | 153.6 | -64.2 | -73.2 | -7.2 | 0 | 0 | 120.3 | ||||
| 15 | L | 33.7 | Very low | 37.1 | Very low | 165 Ų | 165 | 140.4 Ų | 140.4 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -145.9 | 120 | 134.2 | -100.5 | -174.7 | 0 | 0 | 0 | 111.3 | ||||
| 16 | S | 32.1 | Very low | 36.1 | Very low | 104 Ų | 104 | 139.7 Ų | 139.7 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | -93.7 | 133 | 173.1 | -178.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 17 | K | 36 | Very low | 36.1 | Very low | 201 Ų | 201 | 140.7 Ų | 140.7 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -139.8 | 93.3 | 163.4 | -74.5 | -168.2 | 177.3 | -178.2 | 0 | 109.4 | ||||
| 18 | G | 33.9 | Very low | 35.1 | Very low | 66 Ų | 66 | 139.9 Ų | 139.9 | 68% | 0.68 | 81% | 0.81 | S | S | * | * | trans | -79.9 | 162.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 19 | S | 33.9 | Very low | 35.2 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | 59.9 | 104.4 | 166.9 | -160.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 20 | L | 38.6 | Very low | 35.3 | Very low | 165 Ų | 165 | 135 Ų | 135 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | -164 | 163.5 | 123.8 | -104.8 | 167.7 | 0 | 0 | 0 | 109.6 | |||||
| 21 | L | 35.2 | Very low | 35.5 | Very low | 163 Ų | 163 | 143.3 Ų | 143.3 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | trans | 68.7 | 60.3 | 177.5 | -59.6 | 172.8 | 0 | 0 | 0 | 117.3 | ||||
| 22 | T | 36.3 | Very low | 35.7 | Very low | 139 Ų | 139 | 143.9 Ų | 143.9 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | -79 | 114.6 | 138.6 | -59.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 23 | I | 42.3 | Very low | 36.3 | Very low | 152 Ų | 152 | 141 Ų | 141 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | trans | -176.9 | 153.1 | 157.2 | -102 | 153.1 | 0 | 0 | 0 | 108.5 | ||||
| 24 | L | 34.7 | Very low | 36 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | trans | 66.6 | 74.9 | -172.5 | -57.6 | 177.5 | 0 | 0 | 0 | 115.2 | ||||
| 25 | G | 30.4 | Very low | 36.1 | Very low | 79 Ų | 79 | 137.7 Ų | 137.7 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | trans | -79.1 | 123.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 26 | S | 33.6 | Very low | 36.7 | Very low | 113 Ų | 113 | 137.3 Ų | 137.3 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -134.4 | 104.3 | 171.2 | -73.7 | 0 | 0 | 0 | 0 | 109.4 | S28 | S26-S28 PolarHBondContact O-N 3.06Š| ||
| 27 | P | 39.8 | Very low | 37 | Very low | 135 Ų | 135 | 137.5 Ų | 137.5 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | trans | -77.6 | 107.1 | -176.5 | 29.7 | -33 | 0 | 0 | 0 | 111.5 | ||||
| 28 | S | 30.7 | Very low | 37.6 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | -73.4 | 147.1 | 162.6 | -150.3 | 0 | 0 | 0 | 0 | 109.4 | S26 E30 | S26-S28 PolarHBondContact O-N 3.06Å; S28-E30 PolarHBondContact O-N 3.42Å | ||
| 29 | P | 40.2 | Very low | 38.3 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | trans | -78.3 | 115.9 | -164.8 | 29.5 | -34.5 | 0 | 0 | 0 | 112.8 | ||||
| 30 | E | 35.1 | Very low | 38.7 | Very low | 191 Ų | 191 | 138.1 Ų | 138.1 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | -71 | 144.5 | 171.6 | -74 | -149.9 | 115.3 | 0 | 0 | 113.1 | S28 M32 | S28-E30 PolarHBondContact O-N 3.42Å; E30-M32 PolarHBondContact O-N 2.78Å | ||
| 31 | R | 38.3 | Very low | 39 | Very low | 250 Ų | 250 | 136.3 Ų | 136.3 | 94% | 0.943 | 81% | 0.808 | S | S | * | * | trans | -83.2 | 80.3 | -172.7 | -171.5 | -177.6 | -164 | -115 | 2.8 | 110.5 | G33 | R31-G33 PolarHBondContact O-N 3.4Š| ||
| 32 | M | 35.7 | Very low | 39.6 | Very low | 189 Ų | 189 | 133.8 Ų | 133.8 | 93% | 0.931 | 80% | 0.802 | S | S | * | * | trans | -61.8 | 103.2 | -179.2 | -166.5 | 169.2 | -73.1 | 0 | 0 | 111.7 | E30 | E30-M32 PolarHBondContact O-N 2.78Š| ||
| 33 | G | 41.5 | Very low | 40 | Very low | 49 Ų | 49 | 133.6 Ų | 133.6 | 51% | 0.505 | 80% | 0.803 | S | S | . | * | trans | -77.6 | 168.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R31 A35 | R31-G33 PolarHBondContact O-N 3.4Å; G33-A35 PolarHBondContact O-N 3.33Å | ||
| 34 | P | 39.4 | Very low | 39.9 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | trans | -69.1 | 117.6 | 176.1 | 29.1 | -32.9 | 0 | 0 | 0 | 110.3 | D36 | P34-D36 PolarHBondContact O-N 2.98Š| ||
| 35 | A | 36.5 | Very low | 40 | Very low | 92 Ų | 92 | 127.2 Ų | 127.2 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -88.9 | 88.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | G33 S37 | G33-A35 PolarHBondContact O-N 3.33Å; A35-S37 VanDerWaalsContact C-N 3.35Å; A35-S37 PolarHBondContact O-N 3.44Å | ||
| 36 | D | 46.9 | Very low | 40.7 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | trans | -67.4 | 93 | 169.1 | -80.5 | -45.5 | 0 | 0 | 0 | 109.6 | P34 | P34-D36 PolarHBondContact O-N 2.98Š| ||
| 37 | S | 38.3 | Very low | 41.2 | Very low | 107 Ų | 107 | 129.6 Ų | 129.6 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -151.8 | 75.5 | 178.2 | -72.6 | 0 | 0 | 0 | 0 | 110.6 | A35 | A35-S37 VanDerWaalsContact C-N 3.35Å; A35-S37 PolarHBondContact O-N 3.44Å | ||
| 38 | L | 48.7 | Very low | 41.7 | Very low | 168 Ų | 168 | 128.5 Ų | 128.5 | 88% | 0.88 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 141.9 | 165.1 | -68.7 | 173.1 | 0 | 0 | 0 | 109.8 | ||
| 39 | P | 48.1 | Very low | 42.7 | Very low | 106 Ų | 106 | 129.6 Ų | 129.6 | 69% | 0.688 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 151.1 | 169.4 | 30.1 | -34.6 | 0 | 0 | 0 | 110.5 | T41 | P39-T41 PolarHBondContact O-N 3.45Š|
| 40 | P | 42.7 | Very low | 43.2 | Very low | 127 Ų | 127 | 126.6 Ų | 126.6 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 130.1 | -177.3 | 27.1 | -34.5 | 0 | 0 | 0 | 111.8 | ||
| 41 | T | 45 | Very low | 44.2 | Very low | 126 Ų | 126 | 123.5 Ų | 123.5 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 139 | 170.4 | 48.8 | 0 | 0 | 0 | 0 | 110.9 | P39 | P39-T41 PolarHBondContact O-N 3.45Š|
| 42 | P | 48.3 | Very low | 44.8 | Very low | 111 Ų | 111 | 117.3 Ų | 117.3 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 148.9 | 170.2 | 29.2 | -34.7 | 0 | 0 | 0 | 110.8 | S44 | P42-S44 PolarHBondContact O-N 2.9Š|
| 43 | P | 44.2 | Very low | 45.7 | Very low | 135 Ų | 135 | 113.8 Ų | 113.8 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | trans | -72.7 | 96.5 | -177.9 | 29.4 | -34.6 | 0 | 0 | 0 | 111.3 | G45 | P43-G45 VanDerWaalsContact C-N 3.26Å; P43-G45 PolarHBondContact O-N 3.22Å | ||
| 44 | S | 39 | Very low | 46.1 | Very low | 114 Ų | 114 | 116.4 Ų | 116.4 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -77.5 | 75.4 | 173.1 | -164.2 | 0 | 0 | 0 | 0 | 111 | P42 T46 | P42-S44 PolarHBondContact O-N 2.9Å; S44-T46 PolarHBondContact O-N 3.21Å | ||
| 45 | G | 38 | Very low | 46.6 | Very low | 69 Ų | 69 | 118.2 Ų | 118.2 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | -87.2 | 94.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | P43 P47 | P43-G45 VanDerWaalsContact C-N 3.26Å; P43-G45 PolarHBondContact O-N 3.22Å; G45-P47 VanDerWaalsContact O-CD 3.26Å; G45-P47 WeakPolarHBondContact O-CD 3.45Å | ||
| 46 | T | 44.6 | Very low | 47.5 | Very low | 123 Ų | 123 | 119.6 Ų | 119.6 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -83 | 112.1 | 171.5 | 50.4 | 0 | 0 | 0 | 0 | 110.7 | S44 | S44-T46 PolarHBondContact O-N 3.21Š| ||
| 47 | P | 45 | Very low | 47.5 | Very low | 119 Ų | 119 | 120 Ų | 120 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 144.7 | 165 | 30.8 | -33.9 | 0 | 0 | 0 | 109.8 | G45 | G45-P47 VanDerWaalsContact O-CD 3.26Å; G45-P47 WeakPolarHBondContact O-CD 3.45Å |
| 48 | S | 48.6 | Very low | 48.4 | Very low | 112 Ų | 112 | 120.1 Ų | 120.1 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 143.2 | 173.1 | -56.9 | 0 | 0 | 0 | 0 | 111 | G50 | S48-G50 PolarHBondContact O-N 3.49Š|
| 49 | P | 51.8 | Low | 48.6 | Very low | 130 Ų | 130 | 118.1 Ų | 118.1 | 84% | 0.844 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 119.8 | 175.6 | 27.8 | -33.4 | 0 | 0 | 0 | 110.6 | ||
| 50 | G | 51.8 | Low | 48.5 | Very low | 60 Ų | 60 | 117.5 Ų | 117.5 | 62% | 0.619 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 170.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S48 | S48-G50 PolarHBondContact O-N 3.49Š|
| 51 | P | 55.7 | Low | 49 | Very low | 126 Ų | 126 | 117.8 Ų | 117.8 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 146.2 | 175 | 28.2 | -34.8 | 0 | 0 | 0 | 111.1 | ||
| 52 | P | 51.6 | Low | 49 | Very low | 120 Ų | 120 | 115.7 Ų | 115.7 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 143.3 | -174.5 | 28.9 | -35.2 | 0 | 0 | 0 | 112.1 | ||
| 53 | P | 54.3 | Low | 49.2 | Very low | 115 Ų | 115 | 119 Ų | 119 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 144.5 | 168.7 | 31.1 | -34.1 | 0 | 0 | 0 | 110.6 | ||
| 54 | A | 48.8 | Very low | 49.8 | Very low | 104 Ų | 104 | 120.2 Ų | 120.2 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -70 | 130.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 55 | L | 50.9 | Low | 50.5 | Low | 161 Ų | 161 | 117.5 Ų | 117.5 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 140 | 174 | -67.3 | 174.9 | 0 | 0 | 0 | 110.8 | ||
| 56 | P | 54.5 | Low | 51.3 | Low | 120 Ų | 120 | 120.9 Ų | 120.9 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 145.5 | 168.9 | -18.1 | 31.8 | 0 | 0 | 0 | 112 | ||
| 57 | L | 48.6 | Very low | 52 | Low | 167 Ų | 167 | 116.9 Ų | 116.9 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 143.1 | 170.7 | -75.3 | 159.3 | 0 | 0 | 0 | 111 | ||
| 58 | P | 55.7 | Low | 53.2 | Low | 110 Ų | 110 | 115.9 Ų | 115.9 | 71% | 0.714 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 150.6 | 172.8 | 32.4 | -34.7 | 0 | 0 | 0 | 111.6 | ||
| 59 | P | 52.7 | Low | 54.5 | Low | 125 Ų | 125 | 118.3 Ų | 118.3 | 81% | 0.812 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 158.5 | 170.4 | 31.7 | -34.8 | 0 | 0 | 0 | 111.9 | ||
| 60 | A | 47.3 | Very low | 55.9 | Low | 93 Ų | 93 | 118.9 Ų | 118.9 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -67 | 150.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 61 | P | 53.7 | Low | 57.3 | Low | 133 Ų | 133 | 119.6 Ų | 119.6 | 86% | 0.864 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 140.7 | -171.5 | 31 | -35.8 | 0 | 0 | 0 | 113.5 | ||
| 62 | A | 44.6 | Very low | 58.6 | Low | 83 Ų | 83 | 120.7 Ų | 120.7 | 69% | 0.686 | 72% | 0.715 | S | S | * | * | trans | -130.3 | 94.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L64 | A62-L64 PolarHBondContact O-N 3.35Š| ||
| 63 | L | 52.6 | Low | 60.4 | Low | 179 Ų | 179 | 119.2 Ų | 119.2 | 94% | 0.937 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 45.1 | 41 | 144.9 | -58.1 | 176.2 | 0 | 0 | 0 | 119.6 | ||
| 64 | L | 55.6 | Low | 62.1 | Low | 162 Ų | 162 | 118.3 Ų | 118.3 | 85% | 0.848 | 68% | 0.684 | S | S | * | * | trans | -143 | 51.5 | 170.9 | -74.3 | 179.2 | 0 | 0 | 0 | 112.6 | A62 | A62-L64 PolarHBondContact O-N 3.35Š| ||
| 65 | A | 54.9 | Low | 64.1 | Low | 57 Ų | 57 | 117.9 Ų | 117.9 | 47% | 0.471 | 67% | 0.666 | S | S | . | * | trans | -150.6 | 87.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 66 | D | 55.1 | Low | 66.1 | Low | 140 Ų | 140 | 117.3 Ų | 117.3 | 75% | 0.749 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -120 | -66.9 | 153.6 | -92.3 | -33.5 | 0 | 0 | 0 | 109.3 | D68 W69 E70 | D66-D68 PolarHBondContact O-N 3.49Å; D66-D68 VanDerWaalsContact O-N 3.08Å; D66-W69 WeakPolarHBondContact O-CB 3.3Å; D66-W69 PolarHBondContact O-N 3.36Å; D66-E70 PolarHBondContact O-N 3.44Å |
| 67 | G | 58.9 | Low | 67.8 | Low | 39 Ų | 39 | 115.8 Ų | 115.8 | 40% | 0.402 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -61 | -22.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | W69 S71 | G67-W69 VanDerWaalsContact C-N 3.34Å; G67-S71 VanDerWaalsContact O-CB 3.29Å; G67-S71 WeakPolarHBondContact O-CB 3.43Å; G67-S71 PolarHBondContact O-N 3.15Å; G67-S71 PolarHBondContact O-OG 3.07Å |
| 68 | D | 69.1 | Low | 70 | Confident | 98 Ų | 98 | 113.9 Ų | 113.9 | 52% | 0.524 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -71.1 | -27.5 | 172.6 | -114.7 | 43.5 | 0 | 0 | 0 | 112.5 | D66 R72 | D66-D68 PolarHBondContact O-N 3.49Å; D66-D68 VanDerWaalsContact O-N 3.08Å; D68-R72 WeakPolarHBondContact O-CB 3.49Å; D68-R72 WeakPolarHBondContact O-CD 3.47Å; D68-R72 WeakPolarHBondContact O-CG 3.38Å; D68-R72 PolarHBondContact O-N 3.27Å |
| 69 | W | 75.7 | Confident | 71.9 | Confident | 163 Ų | 163 | 114.3 Ų | 114.3 | 62% | 0.617 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -78.2 | -46.6 | 173.6 | -74.2 | 116 | 0 | 0 | 0 | 111.6 | D66 G67 S71 R72 E73 | D66-W69 WeakPolarHBondContact O-CB 3.3Å; D66-W69 PolarHBondContact O-N 3.36Å; G67-W69 VanDerWaalsContact C-N 3.34Å; W69-S71 VanDerWaalsContact C-N 3.33Å; W69-S71 PolarHBondContact O-N 2.9Å; W69-R72 PolarHBondContact O-N 3.03Å; W69-R72 VanDerWaalsContact O-N 3.13Å; W69-E73 PolarHBondContact O-N 3.32Å |
| 70 | E | 81.6 | Confident | 73.9 | Confident | 142 Ų | 142 | 112.5 Ų | 112.5 | 66% | 0.664 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -57.3 | -47.6 | 176.1 | -63.2 | -174.8 | 136.4 | 0 | 0 | 110.6 | D66 R72 E73 E74 | D66-E70 PolarHBondContact O-N 3.44Å; E70-R72 VanDerWaalsContact C-N 3.27Å; E70-R72 PolarHBondContact O-N 2.86Å; E70-E73 PolarHBondContact O-N 2.99Å; E70-E74 WeakPolarHBondContact O-CB 3.36Å; E70-E74 WeakPolarHBondContact O-CG 3.47Å; E70-E74 PolarHBondContact O-N 3.22Å |
| 71 | S | 81.8 | Confident | 76.2 | Confident | 74 Ų | 74 | 113.8 Ų | 113.8 | 52% | 0.517 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -59.9 | -34.3 | 177.1 | -59.5 | 0 | 0 | 0 | 0 | 113.4 | G67 W69 L75 | G67-S71 VanDerWaalsContact O-CB 3.29Å; G67-S71 WeakPolarHBondContact O-CB 3.43Å; G67-S71 PolarHBondContact O-N 3.15Å; G67-S71 PolarHBondContact O-OG 3.07Å; W69-S71 VanDerWaalsContact C-N 3.33Å; W69-S71 PolarHBondContact O-N 2.9Å; S71-L75 WeakPolarHBondContact O-CB 3.46Å; S71-L75 PolarHBondContact O-N 3.37Å |
| 72 | R | 83.7 | Confident | 78.2 | Confident | 150 Ų | 150 | 112.5 Ų | 112.5 | 57% | 0.566 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -77.7 | -37.8 | 177.8 | -78.9 | 173.3 | 177.2 | -162.3 | -0.2 | 113 | D68 W69 E70 L75 R76 | D68-R72 WeakPolarHBondContact O-CB 3.49Å; D68-R72 WeakPolarHBondContact O-CD 3.47Å; D68-R72 WeakPolarHBondContact O-CG 3.38Å; D68-R72 PolarHBondContact O-N 3.27Å; W69-R72 PolarHBondContact O-N 3.03Å; W69-R72 VanDerWaalsContact O-N 3.13Å; E70-R72 VanDerWaalsContact C-N 3.27Å; E70-R72 PolarHBondContact O-N 2.86Å; R72-L75 PolarHBondContact O-N 2.99Å; R72-R76 PolarHBondContact O-N 3.18Å |
| 73 | E | 88.5 | Confident | 80.6 | Confident | 88 Ų | 88 | 111 Ų | 111 | 41% | 0.411 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -76.1 | -34.9 | 178.8 | -162.3 | 59.6 | -156.3 | 0 | 0 | 110.8 | W69 E70 L75 R76 L77 | W69-E73 PolarHBondContact O-N 3.32Å; E70-E73 PolarHBondContact O-N 2.99Å; E73-L75 VanDerWaalsContact C-N 3.32Å; E73-L75 PolarHBondContact O-N 2.79Å; E73-R76 WeakPolarHBondContact O-CB 3.42Å; E73-R76 PolarHBondContact O-N 3.49Å; E73-R76 WeakPolarHBondContact OE2-CD 3.32Å; E73-R76 IonicContact OE2-CZ 2.67Å; E73-R76 IonicContact OE2-NH1 2.83Å; E73-R76 PolarHBondContact OE2-NH1 3.49Å; E73-R76 VanDerWaalsContact OE2-NH1 3.09Å; E73-L77 WeakPolarHBondContact O-CB 3.37Å; E73-L77 VanDerWaalsContact O-CG 3.28Å; E73-L77 WeakPolarHBondContact O-CG 3.44Å; E73-L77 PolarHBondContact O-N 2.91Å |
| 74 | E | 89.9 | Confident | 82.7 | Confident | 97 Ų | 97 | 110.4 Ų | 110.4 | 45% | 0.453 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -57.9 | -43.1 | 165.4 | -76.4 | -158.7 | 156 | 0 | 0 | 112.2 | E70 L77 R78 | E70-E74 WeakPolarHBondContact O-CB 3.36Å; E70-E74 WeakPolarHBondContact O-CG 3.47Å; E70-E74 PolarHBondContact O-N 3.22Å; E74-L77 PolarHBondContact O-N 2.82Å; E74-R78 VanDerWaalsContact CD-NH2 3.29Å; E74-R78 WeakPolarHBondContact O-CG 3.3Å; E74-R78 PolarHBondContact O-N 3.06Å; E74-R78 IonicContact OE1-NH2 3.8Å; E74-R78 IonicContact OE2-CZ 2.84Å; E74-R78 IonicContact OE2-NH1 2.68Å; E74-R78 PolarHBondContact OE2-NH1 2.88Å; E74-R78 IonicContact OE2-NH2 3.66Å; E74-R78 PolarHBondContact OE2-NH2 3.41Å |
| 75 | L | 90.4 | Very high | 84.6 | Confident | 94 Ų | 94 | 105.6 Ų | 105.6 | 49% | 0.492 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63 | -44.9 | 177.7 | -178.7 | 62.7 | 0 | 0 | 0 | 111 | S71 R72 E73 L77 R78 E79 | S71-L75 WeakPolarHBondContact O-CB 3.46Å; S71-L75 PolarHBondContact O-N 3.37Å; R72-L75 PolarHBondContact O-N 2.99Å; E73-L75 VanDerWaalsContact C-N 3.32Å; E73-L75 PolarHBondContact O-N 2.79Å; L75-L77 PolarHBondContact O-N 3.31Å; L75-R78 PolarHBondContact O-N 3.1Å; L75-E79 WeakPolarHBondContact O-CG 3.49Å; L75-E79 PolarHBondContact O-N 3.26Å |
| 76 | R | 92.7 | Very high | 86.6 | Confident | 149 Ų | 149 | 110.5 Ų | 110.5 | 56% | 0.562 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59 | -42.6 | 172.7 | -87.5 | 174.6 | 155.4 | -173.5 | -4.4 | 113.2 | R72 E73 R78 E79 L80 | R72-R76 PolarHBondContact O-N 3.18Å; E73-R76 WeakPolarHBondContact O-CB 3.42Å; E73-R76 PolarHBondContact O-N 3.49Å; E73-R76 WeakPolarHBondContact OE2-CD 3.32Å; E73-R76 IonicContact OE2-CZ 2.67Å; E73-R76 IonicContact OE2-NH1 2.83Å; E73-R76 PolarHBondContact OE2-NH1 3.49Å; E73-R76 VanDerWaalsContact OE2-NH1 3.09Å; R76-R78 VanDerWaalsContact C-N 3.34Å; R76-E79 PolarHBondContact O-N 3.04Å; R76-L80 WeakPolarHBondContact O-CB 3.44Å; R76-L80 VanDerWaalsContact O-CG 3.27Å; R76-L80 WeakPolarHBondContact O-CG 3.38Å; R76-L80 PolarHBondContact O-N 2.77Å |
| 77 | L | 91.9 | Very high | 88.5 | Confident | 88 Ų | 88 | 106.2 Ų | 106.2 | 46% | 0.461 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 177.6 | -73.6 | 167.3 | 0 | 0 | 0 | 110.6 | E73 E74 L75 L80 E81 | E73-L77 WeakPolarHBondContact O-CB 3.37Å; E73-L77 VanDerWaalsContact O-CG 3.28Å; E73-L77 WeakPolarHBondContact O-CG 3.44Å; E73-L77 PolarHBondContact O-N 2.91Å; E74-L77 PolarHBondContact O-N 2.82Å; L75-L77 PolarHBondContact O-N 3.31Å; L77-L80 PolarHBondContact O-N 2.82Å; L77-E81 WeakPolarHBondContact O-CB 3.38Å; L77-E81 WeakPolarHBondContact O-CG 3.5Å; L77-E81 PolarHBondContact O-N 3.04Å |
| 78 | R | 94 | Very high | 90.3 | Very high | 128 Ų | 128 | 106.4 Ų | 106.4 | 48% | 0.483 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 173.6 | -69.2 | 169.4 | -175 | 127.2 | 9.9 | 112.4 | E74 L75 R76 L80 E81 E82 | E74-R78 VanDerWaalsContact CD-NH2 3.29Å; E74-R78 WeakPolarHBondContact O-CG 3.3Å; E74-R78 PolarHBondContact O-N 3.06Å; E74-R78 IonicContact OE1-NH2 3.8Å; E74-R78 IonicContact OE2-CZ 2.84Å; E74-R78 IonicContact OE2-NH1 2.68Å; E74-R78 PolarHBondContact OE2-NH1 2.88Å; E74-R78 IonicContact OE2-NH2 3.66Å; E74-R78 PolarHBondContact OE2-NH2 3.41Å; L75-R78 PolarHBondContact O-N 3.1Å; R76-R78 VanDerWaalsContact C-N 3.34Å; R78-L80 PolarHBondContact O-N 3.41Å; R78-E81 PolarHBondContact O-N 3.31Å; R78-E82 PolarHBondContact O-N 2.8Å |
| 79 | E | 95.1 | Very high | 91.6 | Very high | 119 Ų | 119 | 106.6 Ų | 106.6 | 56% | 0.556 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.4 | -39.8 | 174.5 | -74.3 | -179.5 | 162.7 | 0 | 0 | 112.3 | L75 R76 A83 | L75-E79 WeakPolarHBondContact O-CG 3.49Å; L75-E79 PolarHBondContact O-N 3.26Å; R76-E79 PolarHBondContact O-N 3.04Å; E79-A83 WeakPolarHBondContact O-CB 3.48Å; E79-A83 PolarHBondContact O-N 2.73Å |
| 80 | L | 95.7 | Very high | 92.5 | Very high | 87 Ų | 87 | 105 Ų | 105 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69 | -37.6 | 175.4 | -74.5 | 169.5 | 0 | 0 | 0 | 112.2 | R76 L77 R78 A83 R84 | R76-L80 WeakPolarHBondContact O-CB 3.44Å; R76-L80 VanDerWaalsContact O-CG 3.27Å; R76-L80 WeakPolarHBondContact O-CG 3.38Å; R76-L80 PolarHBondContact O-N 2.77Å; L77-L80 PolarHBondContact O-N 2.82Å; R78-L80 PolarHBondContact O-N 3.41Å; L80-A83 PolarHBondContact O-N 2.82Å; L80-R84 WeakPolarHBondContact O-CB 3.31Å; L80-R84 WeakPolarHBondContact O-CD 3.22Å; L80-R84 WeakPolarHBondContact O-CG 3.24Å; L80-R84 PolarHBondContact O-N 2.82Å |
| 81 | E | 95.3 | Very high | 93.2 | Very high | 120 Ų | 120 | 102.5 Ų | 102.5 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67 | -42.6 | 173.4 | -75.6 | -179.2 | 167.1 | 0 | 0 | 111.8 | L77 R78 R84 A85 | L77-E81 WeakPolarHBondContact O-CB 3.38Å; L77-E81 WeakPolarHBondContact O-CG 3.5Å; L77-E81 PolarHBondContact O-N 3.04Å; R78-E81 PolarHBondContact O-N 3.31Å; E81-R84 PolarHBondContact O-N 3.45Å; E81-A85 WeakPolarHBondContact O-CB 3.46Å; E81-A85 PolarHBondContact O-N 2.95Å |
| 82 | E | 96.1 | Very high | 94 | Very high | 105 Ų | 105 | 104.9 Ų | 104.9 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 171 | -81.9 | -154.1 | -134 | 0 | 0 | 112.1 | R78 R84 A85 R86 | R78-E82 PolarHBondContact O-N 2.8Å; E82-R84 PolarHBondContact O-N 3.07Å; E82-A85 PolarHBondContact O-N 3.3Å; E82-R86 WeakPolarHBondContact O-CB 3.41Å; E82-R86 WeakPolarHBondContact O-CD 3.43Å; E82-R86 WeakPolarHBondContact O-CG 3.36Å; E82-R86 PolarHBondContact O-N 3.43Å; E82-R86 IonicContact OE2-CZ 3.74Å; E82-R86 IonicContact OE2-NE 3.15Å; E82-R86 PolarHBondContact OE2-NE 3.2Å; E82-R86 IonicContact OE2-NH2 3.74Å; E82-R86 PolarHBondContact OE2-NH2 2.86Å |
| 83 | A | 94.7 | Very high | 94.6 | Very high | 53 Ų | 53 | 100.7 Ų | 100.7 | 44% | 0.438 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E79 L80 R86 A87 | E79-A83 WeakPolarHBondContact O-CB 3.48Å; E79-A83 PolarHBondContact O-N 2.73Å; L80-A83 PolarHBondContact O-N 2.82Å; A83-R86 PolarHBondContact O-N 3.31Å; A83-A87 WeakPolarHBondContact O-CB 3.36Å; A83-A87 PolarHBondContact O-N 2.94Å |
| 84 | R | 96.1 | Very high | 94.8 | Very high | 165 Ų | 165 | 103 Ų | 103 | 62% | 0.623 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.2 | -42.8 | 173.7 | -73.8 | 164.1 | 178.2 | 168.4 | -0 | 111.9 | L80 E81 E82 A87 A88 | L80-R84 WeakPolarHBondContact O-CB 3.31Å; L80-R84 WeakPolarHBondContact O-CD 3.22Å; L80-R84 WeakPolarHBondContact O-CG 3.24Å; L80-R84 PolarHBondContact O-N 2.82Å; E81-R84 PolarHBondContact O-N 3.45Å; E82-R84 PolarHBondContact O-N 3.07Å; R84-A87 PolarHBondContact O-N 3.31Å; R84-A88 WeakPolarHBondContact O-CB 3.45Å; R84-A88 PolarHBondContact O-N 3.45Å |
| 85 | A | 96.3 | Very high | 95.1 | Very high | 61 Ų | 61 | 105 Ų | 105 | 50% | 0.504 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E81 E82 A88 Q89 | E81-A85 WeakPolarHBondContact O-CB 3.46Å; E81-A85 PolarHBondContact O-N 2.95Å; E82-A85 PolarHBondContact O-N 3.3Å; A85-A88 PolarHBondContact O-N 3.35Å; A85-Q89 WeakPolarHBondContact O-CB 3.25Å; A85-Q89 PolarHBondContact O-N 3.48Å |
| 86 | R | 95.8 | Very high | 95.5 | Very high | 161 Ų | 161 | 107.6 Ų | 107.6 | 61% | 0.608 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.9 | -45.1 | 174.2 | -67.7 | 165.9 | -168.2 | -165.4 | 6.3 | 110.9 | E82 A83 Q89 M90 | E82-R86 WeakPolarHBondContact O-CB 3.41Å; E82-R86 WeakPolarHBondContact O-CD 3.43Å; E82-R86 WeakPolarHBondContact O-CG 3.36Å; E82-R86 PolarHBondContact O-N 3.43Å; E82-R86 IonicContact OE2-CZ 3.74Å; E82-R86 IonicContact OE2-NE 3.15Å; E82-R86 PolarHBondContact OE2-NE 3.2Å; E82-R86 IonicContact OE2-NH2 3.74Å; E82-R86 PolarHBondContact OE2-NH2 2.86Å; A83-R86 PolarHBondContact O-N 3.31Å; R86-Q89 PolarHBondContact O-N 2.99Å; R86-M90 WeakPolarHBondContact O-CG 3.45Å; R86-M90 PolarHBondContact O-N 3.27Å |
| 87 | A | 96 | Very high | 95.7 | Very high | 49 Ų | 49 | 107.7 Ų | 107.7 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62 | -47.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A83 R84 Q89 M90 E91 | A83-A87 WeakPolarHBondContact O-CB 3.36Å; A83-A87 PolarHBondContact O-N 2.94Å; R84-A87 PolarHBondContact O-N 3.31Å; A87-Q89 PolarHBondContact O-N 3.07Å; A87-M90 WeakPolarHBondContact O-CB 3.29Å; A87-M90 PolarHBondContact O-N 2.81Å; A87-M90 VanDerWaalsContact O-N 3.1Å; A87-E91 PolarHBondContact O-N 3.33Å |
| 88 | A | 96.2 | Very high | 95.8 | Very high | 43 Ų | 43 | 106.8 Ų | 106.8 | 36% | 0.355 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.7 | -31.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R84 A85 K92 | R84-A88 WeakPolarHBondContact O-CB 3.45Å; R84-A88 PolarHBondContact O-N 3.45Å; A85-A88 PolarHBondContact O-N 3.35Å; A88-K92 WeakPolarHBondContact O-CG 3.33Å; A88-K92 PolarHBondContact O-N 3.32Å |
| 89 | Q | 95.7 | Very high | 95.9 | Very high | 103 Ų | 103 | 105.8 Ų | 105.8 | 48% | 0.481 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -74.3 | -37.2 | 173.3 | -168.4 | 65.4 | 9.6 | 0 | 0 | 112.5 | A85 R86 A87 K92 T93 | A85-Q89 WeakPolarHBondContact O-CB 3.25Å; A85-Q89 PolarHBondContact O-N 3.48Å; R86-Q89 PolarHBondContact O-N 2.99Å; A87-Q89 PolarHBondContact O-N 3.07Å; Q89-K92 PolarHBondContact O-N 3.01Å; Q89-K92 VanDerWaalsContact OE1-NZ 3.12Å; Q89-T93 PolarHBondContact O-N 2.98Å; Q89-T93 VanDerWaalsContact O-N 3.09Å; Q89-T93 PolarHBondContact O-OG1 2.91Å |
| 90 | M | 95.4 | Very high | 96 | Very high | 128 Ų | 128 | 102.1 Ų | 102.1 | 63% | 0.631 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.3 | -41.9 | 170.5 | -72.5 | 176.1 | 63.7 | 0 | 0 | 111.4 | R86 A87 K92 T93 M94 | R86-M90 WeakPolarHBondContact O-CG 3.45Å; R86-M90 PolarHBondContact O-N 3.27Å; A87-M90 WeakPolarHBondContact O-CB 3.29Å; A87-M90 PolarHBondContact O-N 2.81Å; A87-M90 VanDerWaalsContact O-N 3.1Å; M90-K92 PolarHBondContact O-N 2.82Å; M90-T93 WeakPolarHBondContact O-CB 3.44Å; M90-T93 PolarHBondContact O-N 3.41Å; M90-M94 WeakPolarHBondContact O-CG 3.28Å; M90-M94 PolarHBondContact O-N 3.42Å |
| 91 | E | 96.4 | Very high | 96 | Very high | 91 Ų | 91 | 100.7 Ų | 100.7 | 43% | 0.425 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60 | -44.9 | 174.6 | -75.6 | -167.5 | -166.8 | 0 | 0 | 112.7 | A87 T93 M94 R95 | A87-E91 PolarHBondContact O-N 3.33Å; E91-T93 VanDerWaalsContact C-N 3.29Å; E91-T93 PolarHBondContact O-N 2.81Å; E91-M94 PolarHBondContact O-N 3.09Å; E91-R95 WeakPolarHBondContact O-CB 3.48Å; E91-R95 WeakPolarHBondContact O-CG 3.41Å; E91-R95 PolarHBondContact O-N 3.48Å; E91-R95 IonicContact OE2-CZ 4Å; E91-R95 IonicContact OE2-NH1 3.29Å; E91-R95 PolarHBondContact OE2-NH1 3.09Å; E91-R95 IonicContact OE2-NH2 3.76Å; E91-R95 PolarHBondContact OE2-NH2 3.21Å |
| 92 | K | 97.8 | Very high | 95.9 | Very high | 123 Ų | 123 | 97.1 Ų | 97.1 | 54% | 0.535 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.9 | -43 | 175.7 | -69.2 | 169 | -158.7 | 164.8 | 0 | 111.2 | A88 Q89 M90 R95 W96 | A88-K92 WeakPolarHBondContact O-CG 3.33Å; A88-K92 PolarHBondContact O-N 3.32Å; Q89-K92 PolarHBondContact O-N 3.01Å; Q89-K92 VanDerWaalsContact OE1-NZ 3.12Å; M90-K92 PolarHBondContact O-N 2.82Å; K92-R95 PolarHBondContact O-N 3.41Å; K92-W96 WeakPolarHBondContact O-CB 3.49Å; K92-W96 PolarHBondContact O-N 3.22Å |
| 93 | T | 96.8 | Very high | 95.9 | Very high | 63 Ų | 63 | 95.5 Ų | 95.5 | 39% | 0.387 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.7 | -44 | 176 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | Q89 M90 E91 W96 W97 | Q89-T93 PolarHBondContact O-N 2.98Å; Q89-T93 VanDerWaalsContact O-N 3.09Å; Q89-T93 PolarHBondContact O-OG1 2.91Å; M90-T93 WeakPolarHBondContact O-CB 3.44Å; M90-T93 PolarHBondContact O-N 3.41Å; E91-T93 VanDerWaalsContact C-N 3.29Å; E91-T93 PolarHBondContact O-N 2.81Å; T93-W96 PolarHBondContact O-N 2.88Å; T93-W97 PolarHBondContact O-N 2.78Å |
| 94 | M | 93.2 | Very high | 96 | Very high | 135 Ų | 135 | 100.6 Ų | 100.6 | 67% | 0.665 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.5 | -39.1 | 176.9 | -70.2 | -147.3 | -63.1 | 0 | 0 | 113.1 | M90 E91 W97 S98 | M90-M94 WeakPolarHBondContact O-CG 3.28Å; M90-M94 PolarHBondContact O-N 3.42Å; E91-M94 PolarHBondContact O-N 3.09Å; M94-W97 PolarHBondContact O-N 2.85Å; M94-S98 WeakPolarHBondContact O-CB 3.47Å; M94-S98 PolarHBondContact O-N 2.95Å |
| 95 | R | 96.6 | Very high | 96 | Very high | 141 Ų | 141 | 100.8 Ų | 100.8 | 53% | 0.532 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.5 | -47.9 | 172.5 | -72.9 | -177.1 | -176.6 | 102.6 | 10.1 | 110.5 | E91 K92 W97 S98 D99 | E91-R95 WeakPolarHBondContact O-CB 3.48Å; E91-R95 WeakPolarHBondContact O-CG 3.41Å; E91-R95 PolarHBondContact O-N 3.48Å; E91-R95 IonicContact OE2-CZ 4Å; E91-R95 IonicContact OE2-NH1 3.29Å; E91-R95 PolarHBondContact OE2-NH1 3.09Å; E91-R95 IonicContact OE2-NH2 3.76Å; E91-R95 PolarHBondContact OE2-NH2 3.21Å; K92-R95 PolarHBondContact O-N 3.41Å; R95-W97 PolarHBondContact O-N 2.89Å; R95-S98 WeakPolarHBondContact O-CA 3.42Å; R95-S98 WeakPolarHBondContact O-CB 3.43Å; R95-S98 PolarHBondContact O-N 2.86Å; R95-S98 VanDerWaalsContact O-N 3.1Å; R95-D99 VanDerWaalsContact O-CG 3.23Å; R95-D99 PolarHBondContact O-N 3.24Å |
| 96 | W | 97.1 | Very high | 96 | Very high | 148 Ų | 148 | 102.4 Ų | 102.4 | 56% | 0.561 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -57.6 | -46.2 | 176 | -176.5 | 82.2 | 0 | 0 | 0 | 113 | K92 T93 S98 D99 C100 | K92-W96 WeakPolarHBondContact O-CB 3.49Å; K92-W96 PolarHBondContact O-N 3.22Å; T93-W96 PolarHBondContact O-N 2.88Å; W96-S98 PolarHBondContact O-N 3.44Å; W96-D99 PolarHBondContact O-N 3.38Å; W96-C100 WeakPolarHBondContact O-CB 3.37Å; W96-C100 PolarHBondContact O-N 2.81Å; W96-C100 PolarHBondContact O-SG 2.86Å; W96-C100 VanDerWaalsContact O-SG 3.36Å |
| 97 | W | 96.8 | Very high | 96 | Very high | 151 Ų | 151 | 100 Ų | 100 | 57% | 0.572 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.4 | -38.2 | 174.6 | -75.4 | 117.9 | 0 | 0 | 0 | 113 | T93 M94 R95 T101 | T93-W97 PolarHBondContact O-N 2.78Å; M94-W97 PolarHBondContact O-N 2.85Å; R95-W97 PolarHBondContact O-N 2.89Å; W97-T101 WeakPolarHBondContact O-CB 3.47Å; W97-T101 PolarHBondContact O-N 3.3Å; W97-T101 PolarHBondContact O-OG1 3.41Å |
| 98 | S | 95.1 | Very high | 96 | Very high | 69 Ų | 69 | 104.8 Ų | 104.8 | 48% | 0.483 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.9 | -48.3 | 173 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | M94 R95 W96 T101 A102 | M94-S98 WeakPolarHBondContact O-CB 3.47Å; M94-S98 PolarHBondContact O-N 2.95Å; R95-S98 WeakPolarHBondContact O-CA 3.42Å; R95-S98 WeakPolarHBondContact O-CB 3.43Å; R95-S98 PolarHBondContact O-N 2.86Å; R95-S98 VanDerWaalsContact O-N 3.1Å; W96-S98 PolarHBondContact O-N 3.44Å; S98-T101 CarbonylContact O-C 3.57Å; S98-T101 WeakPolarHBondContact O-CB 3.39Å; S98-T101 PolarHBondContact O-N 2.94Å; S98-T101 VanDerWaalsContact O-N 3.16Å; S98-A102 WeakPolarHBondContact O-CB 3.22Å; S98-A102 PolarHBondContact O-N 3.35Å |
| 99 | D | 96.4 | Very high | 96 | Very high | 106 Ų | 106 | 105.6 Ų | 105.6 | 57% | 0.567 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.4 | -42.7 | -178.7 | -64.2 | -25 | 0 | 0 | 0 | 111.6 | R95 W96 T101 A102 N103 | R95-D99 VanDerWaalsContact O-CG 3.23Å; R95-D99 PolarHBondContact O-N 3.24Å; W96-D99 PolarHBondContact O-N 3.38Å; D99-T101 VanDerWaalsContact C-N 3.29Å; D99-T101 PolarHBondContact O-N 2.9Å; D99-A102 PolarHBondContact O-N 2.89Å; D99-N103 VanDerWaalsContact O-CB 3.24Å; D99-N103 WeakPolarHBondContact O-CB 3.39Å; D99-N103 PolarHBondContact O-N 3.32Å |
| 100 | C | 95.8 | Very high | 96.1 | Very high | 42 Ų | 42 | 106 Ų | 106 | 28% | 0.284 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.8 | -40.6 | 171.4 | -74.3 | 0 | 0 | 0 | 0 | 111.9 | W96 W104 | W96-C100 WeakPolarHBondContact O-CB 3.37Å; W96-C100 PolarHBondContact O-N 2.81Å; W96-C100 PolarHBondContact O-SG 2.86Å; W96-C100 VanDerWaalsContact O-SG 3.36Å; C100-W104 WeakPolarHBondContact O-CB 3.32Å; C100-W104 PolarHBondContact O-N 2.86Å |
| 101 | T | 95.6 | Very high | 96.2 | Very high | 57 Ų | 57 | 103.8 Ų | 103.8 | 35% | 0.35 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -70 | -40.4 | 178 | -53.9 | 0 | 0 | 0 | 0 | 111.5 | W97 S98 D99 R105 | W97-T101 WeakPolarHBondContact O-CB 3.47Å; W97-T101 PolarHBondContact O-N 3.3Å; W97-T101 PolarHBondContact O-OG1 3.41Å; S98-T101 CarbonylContact O-C 3.57Å; S98-T101 WeakPolarHBondContact O-CB 3.39Å; S98-T101 PolarHBondContact O-N 2.94Å; S98-T101 VanDerWaalsContact O-N 3.16Å; D99-T101 VanDerWaalsContact C-N 3.29Å; D99-T101 PolarHBondContact O-N 2.9Å; T101-R105 VanDerWaalsContact CG2-CZ 3.48Å; T101-R105 WeakPolarHBondContact O-CB 3.23Å; T101-R105 VanDerWaalsContact O-CG 3.25Å; T101-R105 WeakPolarHBondContact O-CG 3.5Å; T101-R105 PolarHBondContact O-N 2.85Å |
| 102 | A | 93.8 | Very high | 96.1 | Very high | 46 Ų | 46 | 105.1 Ų | 105.1 | 38% | 0.38 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.7 | -47.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S98 D99 W104 R105 E106 | S98-A102 WeakPolarHBondContact O-CB 3.22Å; S98-A102 PolarHBondContact O-N 3.35Å; D99-A102 PolarHBondContact O-N 2.89Å; A102-W104 VanDerWaalsContact C-N 3.35Å; A102-W104 PolarHBondContact O-N 3.45Å; A102-R105 WeakPolarHBondContact O-CB 3.25Å; A102-R105 PolarHBondContact O-N 3.05Å; A102-E106 WeakPolarHBondContact O-CB 3.4Å; A102-E106 PolarHBondContact O-N 3.13Å |
| 103 | N | 96.6 | Very high | 96 | Very high | 71 Ų | 71 | 101.9 Ų | 101.9 | 38% | 0.38 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.5 | -41.6 | 177.6 | -168.4 | -91.5 | 0 | 0 | 0 | 112.2 | D99 E106 K107 | D99-N103 VanDerWaalsContact O-CB 3.24Å; D99-N103 WeakPolarHBondContact O-CB 3.39Å; D99-N103 PolarHBondContact O-N 3.32Å; N103-E106 PolarHBondContact O-N 3.03Å; N103-K107 WeakPolarHBondContact O-CB 3.46Å; N103-K107 WeakPolarHBondContact O-CG 3.42Å; N103-K107 PolarHBondContact O-N 2.91Å; N103-K107 WeakPolarHBondContact OD1-CE 3.42Å; N103-K107 PolarHBondContact OD1-NZ 3.47Å |
| 104 | W | 96.3 | Very high | 96 | Very high | 159 Ų | 159 | 105 Ų | 105 | 60% | 0.602 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.6 | -45.9 | 172.2 | -96.5 | 111.9 | 0 | 0 | 0 | 112.6 | C100 A102 E106 K107 W108 | C100-W104 WeakPolarHBondContact O-CB 3.32Å; C100-W104 PolarHBondContact O-N 2.86Å; A102-W104 VanDerWaalsContact C-N 3.35Å; A102-W104 PolarHBondContact O-N 3.45Å; W104-E106 VanDerWaalsContact C-N 3.29Å; W104-E106 PolarHBondContact O-N 3.3Å; W104-K107 PolarHBondContact O-N 3.35Å; W104-W108 AromaticContact CE3-CD1 3.53Å; W104-W108 AromaticContact CE3-NE1 3.25Å; W104-W108 VanDerWaalsContact CE3-NE1 3.25Å; W104-W108 HydrophobicContact CZ3-CZ2 4.45Å; W104-W108 AromaticContact CZ3-NE1 3.4Å; W104-W108 WeakPolarHBondContact O-CB 3.48Å; W104-W108 VanDerWaalsContact O-CD1 3.22Å; W104-W108 PolarHBondContact O-N 2.92Å |
| 105 | R | 96.1 | Very high | 96.1 | Very high | 169 Ų | 169 | 103.9 Ų | 103.9 | 64% | 0.638 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -58 | -42.5 | 175.9 | -74.9 | 170 | -175.4 | 147 | 0.8 | 111.5 | T101 A102 S109 | T101-R105 VanDerWaalsContact CG2-CZ 3.48Å; T101-R105 WeakPolarHBondContact O-CB 3.23Å; T101-R105 VanDerWaalsContact O-CG 3.25Å; T101-R105 WeakPolarHBondContact O-CG 3.5Å; T101-R105 PolarHBondContact O-N 2.85Å; A102-R105 WeakPolarHBondContact O-CB 3.25Å; A102-R105 PolarHBondContact O-N 3.05Å; R105-S109 WeakPolarHBondContact O-CB 3.37Å; R105-S109 PolarHBondContact O-N 3.05Å |
| 106 | E | 95.9 | Very high | 96.1 | Very high | 95 Ų | 95 | 101 Ų | 101 | 44% | 0.444 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.4 | -48.9 | 178.5 | -163.6 | -158.3 | 170.9 | 0 | 0 | 111.3 | A102 N103 W104 W108 S109 K110 | A102-E106 WeakPolarHBondContact O-CB 3.4Å; A102-E106 PolarHBondContact O-N 3.13Å; N103-E106 PolarHBondContact O-N 3.03Å; W104-E106 VanDerWaalsContact C-N 3.29Å; W104-E106 PolarHBondContact O-N 3.3Å; E106-W108 PolarHBondContact O-N 3.5Å; E106-S109 CarbonylContact O-C 3.58Å; E106-S109 WeakPolarHBondContact O-CA 3.41Å; E106-S109 VanDerWaalsContact O-CB 3.26Å; E106-S109 WeakPolarHBondContact O-CB 3.25Å; E106-S109 PolarHBondContact O-N 3.17Å; E106-K110 PolarHBondContact O-N 3.4Å; E106-K110 WeakPolarHBondContact OE1-CE 3.42Å; E106-K110 IonicContact OE1-NZ 3.29Å; E106-K110 PolarHBondContact OE1-NZ 2.91Å; E106-K110 IonicContact OE2-NZ 3.71Å |
| 107 | K | 96.4 | Very high | 96.1 | Very high | 112 Ų | 112 | 102.2 Ų | 102.2 | 49% | 0.487 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57.3 | -48.4 | 174.4 | -76.6 | 167.4 | 172.7 | 164.3 | 0 | 112 | N103 W104 S109 K110 V111 | N103-K107 WeakPolarHBondContact O-CB 3.46Å; N103-K107 WeakPolarHBondContact O-CG 3.42Å; N103-K107 PolarHBondContact O-N 2.91Å; N103-K107 WeakPolarHBondContact OD1-CE 3.42Å; N103-K107 PolarHBondContact OD1-NZ 3.47Å; W104-K107 PolarHBondContact O-N 3.35Å; K107-S109 PolarHBondContact O-N 3.1Å; K107-K110 PolarHBondContact O-N 3.18Å; K107-V111 WeakPolarHBondContact O-CG2 3.41Å; K107-V111 PolarHBondContact O-N 3.43Å |
| 108 | W | 96.1 | Very high | 96 | Very high | 148 Ų | 148 | 97.4 Ų | 97.4 | 56% | 0.561 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.6 | -28.1 | 173.3 | -82.5 | 112.8 | 0 | 0 | 0 | 112.8 | W104 E106 R112 | W104-W108 AromaticContact CE3-CD1 3.53Å; W104-W108 AromaticContact CE3-NE1 3.25Å; W104-W108 VanDerWaalsContact CE3-NE1 3.25Å; W104-W108 HydrophobicContact CZ3-CZ2 4.45Å; W104-W108 AromaticContact CZ3-NE1 3.4Å; W104-W108 WeakPolarHBondContact O-CB 3.48Å; W104-W108 VanDerWaalsContact O-CD1 3.22Å; W104-W108 PolarHBondContact O-N 2.92Å; E106-W108 PolarHBondContact O-N 3.5Å; W108-R112 VanDerWaalsContact O-CB 3.29Å; W108-R112 WeakPolarHBondContact O-CB 3.44Å; W108-R112 WeakPolarHBondContact O-CG 3.37Å; W108-R112 PolarHBondContact O-N 2.86Å; W108-R112 PolarHBondContact O-NE 2.72Å |
| 109 | S | 96.1 | Very high | 96 | Very high | 60 Ų | 60 | 101.3 Ų | 101.3 | 42% | 0.42 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.6 | -49.1 | 173.3 | -147.3 | 0 | 0 | 0 | 0 | 111.3 | R105 E106 K107 R112 A113 | R105-S109 WeakPolarHBondContact O-CB 3.37Å; R105-S109 PolarHBondContact O-N 3.05Å; E106-S109 CarbonylContact O-C 3.58Å; E106-S109 WeakPolarHBondContact O-CA 3.41Å; E106-S109 VanDerWaalsContact O-CB 3.26Å; E106-S109 WeakPolarHBondContact O-CB 3.25Å; E106-S109 PolarHBondContact O-N 3.17Å; K107-S109 PolarHBondContact O-N 3.1Å; S109-R112 PolarHBondContact O-N 2.91Å; S109-A113 WeakPolarHBondContact O-CB 3.29Å; S109-A113 PolarHBondContact O-N 3.08Å |
| 110 | K | 96.9 | Very high | 96 | Very high | 111 Ų | 111 | 100 Ų | 100 | 48% | 0.483 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -57.3 | -52.2 | 177.2 | -70 | 175.3 | -177.7 | 171.1 | 0 | 111.6 | E106 K107 R112 A113 E114 | E106-K110 PolarHBondContact O-N 3.4Å; E106-K110 WeakPolarHBondContact OE1-CE 3.42Å; E106-K110 IonicContact OE1-NZ 3.29Å; E106-K110 PolarHBondContact OE1-NZ 2.91Å; E106-K110 IonicContact OE2-NZ 3.71Å; K107-K110 PolarHBondContact O-N 3.18Å; K110-R112 VanDerWaalsContact C-N 3.32Å; K110-R112 PolarHBondContact O-N 2.89Å; K110-A113 WeakPolarHBondContact O-CA 3.37Å; K110-A113 WeakPolarHBondContact O-CB 3.47Å; K110-A113 PolarHBondContact O-N 3.33Å; K110-E114 WeakPolarHBondContact O-CG 3.48Å; K110-E114 PolarHBondContact O-N 3.46Å |
| 111 | V | 97.6 | Very high | 96.1 | Very high | 82 Ų | 82 | 101.9 Ų | 101.9 | 50% | 0.497 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.1 | -37.5 | 177.8 | 174.6 | 0 | 0 | 0 | 0 | 112.2 | K107 R115 | K107-V111 WeakPolarHBondContact O-CG2 3.41Å; K107-V111 PolarHBondContact O-N 3.43Å; V111-R115 WeakPolarHBondContact O-CB 3.24Å; V111-R115 PolarHBondContact O-N 3.45Å |
| 112 | R | 95.6 | Very high | 96.1 | Very high | 119 Ų | 119 | 102.5 Ų | 102.5 | 45% | 0.449 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.8 | -36.7 | 173.9 | -76.7 | 178.9 | -61.3 | 153.5 | 4.8 | 112.3 | W108 S109 K110 N116 | W108-R112 VanDerWaalsContact O-CB 3.29Å; W108-R112 WeakPolarHBondContact O-CB 3.44Å; W108-R112 WeakPolarHBondContact O-CG 3.37Å; W108-R112 PolarHBondContact O-N 2.86Å; W108-R112 PolarHBondContact O-NE 2.72Å; S109-R112 PolarHBondContact O-N 2.91Å; K110-R112 VanDerWaalsContact C-N 3.32Å; K110-R112 PolarHBondContact O-N 2.89Å; R112-N116 VanDerWaalsContact O-CB 3.29Å; R112-N116 WeakPolarHBondContact O-CB 3.43Å; R112-N116 PolarHBondContact O-N 2.93Å; R112-N116 PolarHBondContact O-OD1 2.7Å |
| 113 | A | 94.5 | Very high | 96.2 | Very high | 56 Ų | 56 | 107.5 Ų | 107.5 | 46% | 0.463 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.1 | -47.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S109 K110 N116 R117 | S109-A113 WeakPolarHBondContact O-CB 3.29Å; S109-A113 PolarHBondContact O-N 3.08Å; K110-A113 WeakPolarHBondContact O-CA 3.37Å; K110-A113 WeakPolarHBondContact O-CB 3.47Å; K110-A113 PolarHBondContact O-N 3.33Å; A113-N116 PolarHBondContact O-N 2.87Å; A113-N116 VanDerWaalsContact O-N 3.17Å; A113-R117 WeakPolarHBondContact O-CB 3.43Å; A113-R117 PolarHBondContact O-N 3.07Å |
| 114 | E | 96.7 | Very high | 96.3 | Very high | 127 Ų | 127 | 108 Ų | 108 | 59% | 0.593 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -58.8 | -48.7 | 174.3 | -70.9 | 167.8 | 172 | 0 | 0 | 111.6 | K110 N116 R117 A118 | K110-E114 WeakPolarHBondContact O-CG 3.48Å; K110-E114 PolarHBondContact O-N 3.46Å; E114-N116 VanDerWaalsContact C-N 3.29Å; E114-N116 PolarHBondContact O-N 3.27Å; E114-R117 WeakPolarHBondContact O-CB 3.45Å; E114-R117 PolarHBondContact O-N 2.79Å; E114-A118 PolarHBondContact O-N 2.89Å |
| 115 | R | 96.9 | Very high | 96.3 | Very high | 113 Ų | 113 | 105.6 Ų | 105.6 | 43% | 0.426 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.7 | -38.7 | 174.3 | -178.7 | -152.3 | 67.7 | -174.3 | -1.4 | 112.4 | V111 R119 | V111-R115 WeakPolarHBondContact O-CB 3.24Å; V111-R115 PolarHBondContact O-N 3.45Å; R115-R119 WeakPolarHBondContact O-CD 3.36Å; R115-R119 VanDerWaalsContact O-CG 3.23Å; R115-R119 WeakPolarHBondContact O-CG 3.26Å; R115-R119 PolarHBondContact O-N 3.44Å |
| 116 | N | 95.6 | Very high | 96.3 | Very high | 81 Ų | 81 | 105.7 Ų | 105.7 | 43% | 0.433 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71.2 | -40.2 | 176.8 | -74.4 | 1 | 0 | 0 | 0 | 111.3 | R112 A113 E114 R119 E120 | R112-N116 VanDerWaalsContact O-CB 3.29Å; R112-N116 WeakPolarHBondContact O-CB 3.43Å; R112-N116 PolarHBondContact O-N 2.93Å; R112-N116 PolarHBondContact O-OD1 2.7Å; A113-N116 PolarHBondContact O-N 2.87Å; A113-N116 VanDerWaalsContact O-N 3.17Å; E114-N116 VanDerWaalsContact C-N 3.29Å; E114-N116 PolarHBondContact O-N 3.27Å; N116-R119 WeakPolarHBondContact O-CB 3.05Å; N116-R119 PolarHBondContact O-N 2.96Å; N116-E120 PolarHBondContact O-N 3.47Å |
| 117 | R | 96.8 | Very high | 96.4 | Very high | 173 Ų | 173 | 106.8 Ų | 106.8 | 65% | 0.653 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.4 | -49.5 | 176.4 | -178.8 | 176.6 | -177.9 | 137.4 | 6.3 | 111.5 | A113 E114 R119 E120 E121 | A113-R117 WeakPolarHBondContact O-CB 3.43Å; A113-R117 PolarHBondContact O-N 3.07Å; E114-R117 WeakPolarHBondContact O-CB 3.45Å; E114-R117 PolarHBondContact O-N 2.79Å; R117-R119 VanDerWaalsContact C-N 3.27Å; R117-R119 PolarHBondContact O-N 3.37Å; R117-E120 CarbonylContact O-C 3.58Å; R117-E120 WeakPolarHBondContact O-CA 3.37Å; R117-E120 PolarHBondContact O-N 2.85Å; R117-E121 HydrophobicContact CG-CG 4.43Å; R117-E121 VanDerWaalsContact CG-OE1 3.26Å; R117-E121 WeakPolarHBondContact CG-OE1 3.5Å; R117-E121 IonicContact CZ-OE1 3.09Å; R117-E121 IonicContact NE-OE1 3.45Å; R117-E121 PolarHBondContact NE-OE1 3.19Å; R117-E121 IonicContact NH2-OE1 3.49Å; R117-E121 WeakPolarHBondContact O-CG 3.49Å; R117-E121 PolarHBondContact O-N 2.83Å |
| 118 | A | 94.6 | Very high | 96.4 | Very high | 49 Ų | 49 | 109 Ų | 109 | 41% | 0.405 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.2 | -35 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E114 E120 V122 | E114-A118 PolarHBondContact O-N 2.89Å; A118-E120 VanDerWaalsContact C-N 3.32Å; A118-V122 WeakPolarHBondContact O-CB 3.25Å; A118-V122 VanDerWaalsContact O-CG2 3.26Å; A118-V122 WeakPolarHBondContact O-CG2 3.13Å; A118-V122 PolarHBondContact O-N 2.79Å |
| 119 | R | 95.5 | Very high | 96.4 | Very high | 151 Ų | 151 | 107.1 Ų | 107.1 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.8 | -32.4 | 173 | -76.2 | 169 | 173 | -163.3 | -4.8 | 112.9 | R115 N116 R117 R123 | R115-R119 WeakPolarHBondContact O-CD 3.36Å; R115-R119 VanDerWaalsContact O-CG 3.23Å; R115-R119 WeakPolarHBondContact O-CG 3.26Å; R115-R119 PolarHBondContact O-N 3.44Å; N116-R119 WeakPolarHBondContact O-CB 3.05Å; N116-R119 PolarHBondContact O-N 2.96Å; R117-R119 VanDerWaalsContact C-N 3.27Å; R117-R119 PolarHBondContact O-N 3.37Å; R119-R123 PolarHBondContact O-N 3.13Å |
| 120 | E | 96.6 | Very high | 96.5 | Very high | 79 Ų | 79 | 108.3 Ų | 108.3 | 37% | 0.369 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -81.2 | -39 | 178.1 | -164.6 | 51.9 | -140 | 0 | 0 | 111.8 | N116 R117 A118 V122 R123 Q124 | N116-E120 PolarHBondContact O-N 3.47Å; R117-E120 CarbonylContact O-C 3.58Å; R117-E120 WeakPolarHBondContact O-CA 3.37Å; R117-E120 PolarHBondContact O-N 2.85Å; A118-E120 VanDerWaalsContact C-N 3.32Å; E120-V122 VanDerWaalsContact C-N 3.28Å; E120-V122 PolarHBondContact O-N 3.41Å; E120-R123 CarbonylContact O-C 3.58Å; E120-R123 WeakPolarHBondContact O-CA 3.36Å; E120-R123 WeakPolarHBondContact O-CB 3.47Å; E120-R123 PolarHBondContact O-N 2.66Å; E120-R123 WeakPolarHBondContact OE2-CD 3.33Å; E120-Q124 WeakPolarHBondContact O-CG 3.49Å; E120-Q124 PolarHBondContact O-N 2.91Å |
| 121 | E | 96.9 | Very high | 96.5 | Very high | 81 Ų | 81 | 104.8 Ų | 104.8 | 38% | 0.379 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.6 | -40.4 | 169.7 | -71.3 | 163.6 | 176.9 | 0 | 0 | 110.6 | R117 R123 Q124 L125 | R117-E121 HydrophobicContact CG-CG 4.43Å; R117-E121 VanDerWaalsContact CG-OE1 3.26Å; R117-E121 WeakPolarHBondContact CG-OE1 3.5Å; R117-E121 IonicContact CZ-OE1 3.09Å; R117-E121 IonicContact NE-OE1 3.45Å; R117-E121 PolarHBondContact NE-OE1 3.19Å; R117-E121 IonicContact NH2-OE1 3.49Å; R117-E121 WeakPolarHBondContact O-CG 3.49Å; R117-E121 PolarHBondContact O-N 2.83Å; E121-R123 PolarHBondContact O-N 2.79Å; E121-Q124 PolarHBondContact O-N 2.9Å; E121-L125 WeakPolarHBondContact O-CB 3.45Å; E121-L125 VanDerWaalsContact O-CG 3.25Å; E121-L125 WeakPolarHBondContact O-CG 3.4Å; E121-L125 PolarHBondContact O-N 3.01Å |
| 122 | V | 95.8 | Very high | 96.4 | Very high | 71 Ų | 71 | 106 Ų | 106 | 43% | 0.43 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.2 | -32.5 | 170.8 | 168 | 0 | 0 | 0 | 0 | 113.2 | A118 E120 R126 | A118-V122 WeakPolarHBondContact O-CB 3.25Å; A118-V122 VanDerWaalsContact O-CG2 3.26Å; A118-V122 WeakPolarHBondContact O-CG2 3.13Å; A118-V122 PolarHBondContact O-N 2.79Å; E120-V122 VanDerWaalsContact C-N 3.28Å; E120-V122 PolarHBondContact O-N 3.41Å; V122-R126 VanDerWaalsContact O-CG 3.26Å; V122-R126 WeakPolarHBondContact O-CG 3.47Å; V122-R126 PolarHBondContact O-N 3.38Å |
| 123 | R | 97.3 | Very high | 96.5 | Very high | 151 Ų | 151 | 104 Ų | 104 | 57% | 0.57 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67 | -48.5 | 171.6 | -89.2 | -168.2 | 164.6 | 91.1 | 0.9 | 111.5 | R119 E120 E121 L125 R126 Q127 | R119-R123 PolarHBondContact O-N 3.13Å; E120-R123 CarbonylContact O-C 3.58Å; E120-R123 WeakPolarHBondContact O-CA 3.36Å; E120-R123 WeakPolarHBondContact O-CB 3.47Å; E120-R123 PolarHBondContact O-N 2.66Å; E120-R123 WeakPolarHBondContact OE2-CD 3.33Å; E121-R123 PolarHBondContact O-N 2.79Å; R123-L125 PolarHBondContact O-N 3.37Å; R123-R126 PolarHBondContact O-N 3.04Å; R123-Q127 WeakPolarHBondContact O-CG 3.45Å; R123-Q127 PolarHBondContact O-N 2.92Å |
| 124 | Q | 97.5 | Very high | 96.6 | Very high | 81 Ų | 81 | 108.7 Ų | 108.7 | 38% | 0.379 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | -180 | -67.6 | 174.4 | 16.3 | 0 | 0 | 111.6 | E120 E121 R126 Q127 R128 | E120-Q124 WeakPolarHBondContact O-CG 3.49Å; E120-Q124 PolarHBondContact O-N 2.91Å; E121-Q124 PolarHBondContact O-N 2.9Å; Q124-R126 PolarHBondContact O-N 3.08Å; Q124-Q127 PolarHBondContact O-N 3.41Å; Q124-R128 WeakPolarHBondContact O-CB 3.49Å; Q124-R128 VanDerWaalsContact O-CG 3.29Å; Q124-R128 WeakPolarHBondContact O-CG 3.44Å; Q124-R128 PolarHBondContact O-N 2.81Å |
| 125 | L | 96.8 | Very high | 96.7 | Very high | 109 Ų | 109 | 108.3 Ų | 108.3 | 57% | 0.571 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64 | -37.8 | 174.9 | -72.5 | 170.9 | 0 | 0 | 0 | 112.4 | E121 R123 L129 | E121-L125 WeakPolarHBondContact O-CB 3.45Å; E121-L125 VanDerWaalsContact O-CG 3.25Å; E121-L125 WeakPolarHBondContact O-CG 3.4Å; E121-L125 PolarHBondContact O-N 3.01Å; R123-L125 PolarHBondContact O-N 3.37Å; L125-L129 WeakPolarHBondContact O-CB 3.45Å; L125-L129 PolarHBondContact O-N 3.38Å |
| 126 | R | 96.4 | Very high | 96.6 | Very high | 170 Ų | 170 | 107.5 Ų | 107.5 | 64% | 0.642 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.6 | -47 | 172.7 | -73.6 | 171.2 | -177.3 | -163.3 | -0.5 | 111.9 | V122 R123 Q124 R128 L129 D130 | V122-R126 VanDerWaalsContact O-CG 3.26Å; V122-R126 WeakPolarHBondContact O-CG 3.47Å; V122-R126 PolarHBondContact O-N 3.38Å; R123-R126 PolarHBondContact O-N 3.04Å; Q124-R126 PolarHBondContact O-N 3.08Å; R126-R128 VanDerWaalsContact C-N 3.3Å; R126-R128 PolarHBondContact O-N 3.04Å; R126-L129 PolarHBondContact O-N 3.08Å; R126-L129 VanDerWaalsContact O-N 3.12Å; R126-D130 VanDerWaalsContact O-CG 3.3Å; R126-D130 PolarHBondContact O-N 3.34Å |
| 127 | Q | 97.4 | Very high | 96.6 | Very high | 119 Ų | 119 | 105.6 Ų | 105.6 | 56% | 0.556 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.6 | -39.8 | 176.8 | -71.6 | 168.1 | -13.1 | 0 | 0 | 112.3 | R123 Q124 D130 A131 | R123-Q127 WeakPolarHBondContact O-CG 3.45Å; R123-Q127 PolarHBondContact O-N 2.92Å; Q124-Q127 PolarHBondContact O-N 3.41Å; Q127-D130 PolarHBondContact O-N 3.34Å; Q127-A131 WeakPolarHBondContact O-CB 3.5Å; Q127-A131 PolarHBondContact O-N 2.97Å |
| 128 | R | 97.3 | Very high | 96.6 | Very high | 159 Ų | 159 | 98.3 Ų | 98.3 | 60% | 0.6 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.8 | -41.8 | 173.4 | -72.6 | 174 | -176.1 | -177 | 2.4 | 112.1 | Q124 R126 A131 L132 | Q124-R128 WeakPolarHBondContact O-CB 3.49Å; Q124-R128 VanDerWaalsContact O-CG 3.29Å; Q124-R128 WeakPolarHBondContact O-CG 3.44Å; Q124-R128 PolarHBondContact O-N 2.81Å; R126-R128 VanDerWaalsContact C-N 3.3Å; R126-R128 PolarHBondContact O-N 3.04Å; R128-A131 PolarHBondContact O-N 3.22Å; R128-L132 WeakPolarHBondContact O-CB 3.34Å; R128-L132 WeakPolarHBondContact O-CG 3.47Å; R128-L132 PolarHBondContact O-N 3.29Å |
| 129 | L | 96.6 | Very high | 96.6 | Very high | 108 Ų | 108 | 98.4 Ų | 98.4 | 57% | 0.565 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.4 | -40.9 | 175.4 | -174.1 | 149 | 0 | 0 | 0 | 111.5 | L125 R126 A131 T133 | L125-L129 WeakPolarHBondContact O-CB 3.45Å; L125-L129 PolarHBondContact O-N 3.38Å; R126-L129 PolarHBondContact O-N 3.08Å; R126-L129 VanDerWaalsContact O-N 3.12Å; L129-A131 VanDerWaalsContact C-N 3.33Å; L129-A131 PolarHBondContact O-N 3.44Å; L129-T133 VanDerWaalsContact O-CB 3.23Å; L129-T133 WeakPolarHBondContact O-CB 3.27Å; L129-T133 PolarHBondContact O-N 3.38Å; L129-T133 PolarHBondContact O-OG1 3.44Å |
| 130 | D | 97.3 | Very high | 96.6 | Very high | 85 Ų | 85 | 98.7 Ų | 98.7 | 46% | 0.455 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.9 | -35.9 | 174.8 | -68.4 | -29.8 | 0 | 0 | 0 | 112 | R126 Q127 K134 | R126-D130 VanDerWaalsContact O-CG 3.3Å; R126-D130 PolarHBondContact O-N 3.34Å; Q127-D130 PolarHBondContact O-N 3.34Å; D130-K134 WeakPolarHBondContact O-CD 3.19Å; D130-K134 VanDerWaalsContact O-CG 3.25Å; D130-K134 WeakPolarHBondContact O-CG 3.31Å; D130-K134 PolarHBondContact O-N 2.94Å |
| 131 | A | 96.9 | Very high | 96.6 | Very high | 36 Ų | 36 | 102.5 Ų | 102.5 | 30% | 0.298 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.7 | -55.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q127 R128 L129 T133 K134 E135 | Q127-A131 WeakPolarHBondContact O-CB 3.5Å; Q127-A131 PolarHBondContact O-N 2.97Å; R128-A131 PolarHBondContact O-N 3.22Å; L129-A131 VanDerWaalsContact C-N 3.33Å; L129-A131 PolarHBondContact O-N 3.44Å; A131-T133 PolarHBondContact O-N 2.86Å; A131-K134 WeakPolarHBondContact O-CA 3.49Å; A131-K134 WeakPolarHBondContact O-CB 3.4Å; A131-K134 PolarHBondContact O-N 3.3Å; A131-E135 PolarHBondContact O-N 3Å |
| 132 | L | 96.2 | Very high | 96.5 | Very high | 108 Ų | 108 | 104.6 Ų | 104.6 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -57.6 | -33.2 | 176.3 | -69.4 | 168.2 | 0 | 0 | 0 | 112.3 | R128 L136 | R128-L132 WeakPolarHBondContact O-CB 3.34Å; R128-L132 WeakPolarHBondContact O-CG 3.47Å; R128-L132 PolarHBondContact O-N 3.29Å; L132-L136 VanDerWaalsContact O-CB 3.24Å; L132-L136 WeakPolarHBondContact O-CB 3.39Å; L132-L136 PolarHBondContact O-N 3.39Å |
| 133 | T | 96.9 | Very high | 96.4 | Very high | 78 Ų | 78 | 109.4 Ų | 109.4 | 48% | 0.479 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.4 | -35.5 | 174.8 | -59.8 | 0 | 0 | 0 | 0 | 112.1 | L129 A131 A137 | L129-T133 VanDerWaalsContact O-CB 3.23Å; L129-T133 WeakPolarHBondContact O-CB 3.27Å; L129-T133 PolarHBondContact O-N 3.38Å; L129-T133 PolarHBondContact O-OG1 3.44Å; A131-T133 PolarHBondContact O-N 2.86Å; T133-A137 WeakPolarHBondContact O-CB 3.46Å; T133-A137 PolarHBondContact O-N 3.22Å |
| 134 | K | 97.7 | Very high | 96.3 | Very high | 154 Ų | 154 | 108.3 Ų | 108.3 | 67% | 0.67 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -71.2 | -41.3 | 173.4 | -70.2 | 162.4 | -171.5 | 171.8 | 0 | 111.6 | D130 A131 A137 G138 | D130-K134 WeakPolarHBondContact O-CD 3.19Å; D130-K134 VanDerWaalsContact O-CG 3.25Å; D130-K134 WeakPolarHBondContact O-CG 3.31Å; D130-K134 PolarHBondContact O-N 2.94Å; A131-K134 WeakPolarHBondContact O-CA 3.49Å; A131-K134 WeakPolarHBondContact O-CB 3.4Å; A131-K134 PolarHBondContact O-N 3.3Å; K134-A137 CarbonylContact O-C 3.53Å; K134-A137 WeakPolarHBondContact O-CB 3.46Å; K134-A137 PolarHBondContact O-N 3.46Å; K134-G138 PolarHBondContact O-N 3.13Å |
| 135 | E | 97.2 | Very high | 96.2 | Very high | 119 Ų | 119 | 110.1 Ų | 110.1 | 56% | 0.556 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.8 | -47.4 | 175.1 | -70.2 | 160.6 | -149.5 | 0 | 0 | 110.9 | A131 A137 G138 A139 | A131-E135 PolarHBondContact O-N 3Å; E135-A137 VanDerWaalsContact C-N 3.25Å; E135-A137 PolarHBondContact O-N 2.89Å; E135-G138 WeakPolarHBondContact O-CA 3.45Å; E135-G138 PolarHBondContact O-N 2.92Å; E135-G138 VanDerWaalsContact O-N 3.08Å; E135-A139 PolarHBondContact O-N 2.68Å |
| 136 | L | 94.8 | Very high | 95.9 | Very high | 95 Ų | 95 | 107.4 Ų | 107.4 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.6 | -35.4 | 173.2 | -169.2 | 82.6 | 0 | 0 | 0 | 112.2 | L132 R140 | L132-L136 VanDerWaalsContact O-CB 3.24Å; L132-L136 WeakPolarHBondContact O-CB 3.39Å; L132-L136 PolarHBondContact O-N 3.39Å; L136-R140 VanDerWaalsContact O-CB 3.32Å; L136-R140 WeakPolarHBondContact O-CB 3.31Å; L136-R140 WeakPolarHBondContact O-CD 3.38Å; L136-R140 WeakPolarHBondContact O-CG 3.3Å; L136-R140 PolarHBondContact O-N 2.85Å; L136-R140 VanDerWaalsContact O-N 3.11Å |
| 137 | A | 96 | Very high | 95.7 | Very high | 41 Ų | 41 | 103.9 Ų | 103.9 | 34% | 0.339 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73 | -33.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | T133 K134 E135 R141 | T133-A137 WeakPolarHBondContact O-CB 3.46Å; T133-A137 PolarHBondContact O-N 3.22Å; K134-A137 CarbonylContact O-C 3.53Å; K134-A137 WeakPolarHBondContact O-CB 3.46Å; K134-A137 PolarHBondContact O-N 3.46Å; E135-A137 VanDerWaalsContact C-N 3.25Å; E135-A137 PolarHBondContact O-N 2.89Å; A137-R141 WeakPolarHBondContact O-CG 3.44Å; A137-R141 PolarHBondContact O-N 3.04Å |
| 138 | G | 97.1 | Very high | 95.5 | Very high | 20 Ų | 20 | 100 Ų | 100 | 21% | 0.206 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -64 | -58.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | K134 E135 R140 R141 E142 | K134-G138 PolarHBondContact O-N 3.13Å; E135-G138 WeakPolarHBondContact O-CA 3.45Å; E135-G138 PolarHBondContact O-N 2.92Å; E135-G138 VanDerWaalsContact O-N 3.08Å; G138-R140 PolarHBondContact O-N 2.67Å; G138-R140 VanDerWaalsContact O-N 3.09Å; G138-R141 WeakPolarHBondContact O-CA 3.45Å; G138-R141 WeakPolarHBondContact O-CB 3.47Å; G138-R141 PolarHBondContact O-N 2.99Å; G138-E142 PolarHBondContact O-N 2.87Å |
| 139 | A | 94.9 | Very high | 95.3 | Very high | 51 Ų | 51 | 97.2 Ų | 97.2 | 42% | 0.421 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.3 | -30.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | E135 R143 | E135-A139 PolarHBondContact O-N 2.68Å; A139-R143 VanDerWaalsContact O-CB 3.26Å; A139-R143 WeakPolarHBondContact O-CB 3.46Å; A139-R143 PolarHBondContact O-N 3.49Å |
| 140 | R | 95 | Very high | 94.9 | Very high | 157 Ų | 157 | 96.2 Ų | 96.2 | 59% | 0.592 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -69.6 | -35.5 | 172.1 | -80.5 | 170.9 | 178.6 | -169.4 | -0.2 | 113.5 | L136 G138 Q144 | L136-R140 VanDerWaalsContact O-CB 3.32Å; L136-R140 WeakPolarHBondContact O-CB 3.31Å; L136-R140 WeakPolarHBondContact O-CD 3.38Å; L136-R140 WeakPolarHBondContact O-CG 3.3Å; L136-R140 PolarHBondContact O-N 2.85Å; L136-R140 VanDerWaalsContact O-N 3.11Å; G138-R140 PolarHBondContact O-N 2.67Å; G138-R140 VanDerWaalsContact O-N 3.09Å; R140-Q144 VanDerWaalsContact O-CG 3.25Å; R140-Q144 WeakPolarHBondContact O-CG 3.32Å; R140-Q144 PolarHBondContact O-N 2.97Å; R140-Q144 VanDerWaalsContact O-N 3.15Å |
| 141 | R | 95.8 | Very high | 94.6 | Very high | 160 Ų | 160 | 96.2 Ų | 96.2 | 60% | 0.604 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -71.6 | -49.2 | 173.5 | -69.4 | 170.1 | -173.9 | 171.3 | 1.3 | 110.7 | A137 G138 R143 Q144 E145 | A137-R141 WeakPolarHBondContact O-CG 3.44Å; A137-R141 PolarHBondContact O-N 3.04Å; G138-R141 WeakPolarHBondContact O-CA 3.45Å; G138-R141 WeakPolarHBondContact O-CB 3.47Å; G138-R141 PolarHBondContact O-N 2.99Å; R141-R143 PolarHBondContact O-N 3.42Å; R141-Q144 CarbonylContact O-C 3.59Å; R141-Q144 WeakPolarHBondContact O-CA 3.33Å; R141-Q144 WeakPolarHBondContact O-CB 3.41Å; R141-Q144 PolarHBondContact O-N 3.37Å; R141-E145 WeakPolarHBondContact O-CB 3.44Å; R141-E145 WeakPolarHBondContact O-CG 3.43Å; R141-E145 PolarHBondContact O-N 3.19Å |
| 142 | E | 95.6 | Very high | 94.3 | Very high | 124 Ų | 124 | 97.1 Ų | 97.1 | 58% | 0.579 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -53.5 | -42.2 | 175.1 | -68.2 | 159 | -160.1 | 0 | 0 | 111.1 | G138 E145 A146 | G138-E142 PolarHBondContact O-N 2.87Å; E142-E145 PolarHBondContact O-N 3.18Å; E142-A146 WeakPolarHBondContact O-CB 3.49Å; E142-A146 PolarHBondContact O-N 3.39Å |
| 143 | R | 94.6 | Very high | 94 | Very high | 172 Ų | 172 | 98.7 Ų | 98.7 | 65% | 0.649 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.9 | -32.7 | 174.2 | -157.3 | -161 | 80.5 | 173.5 | 8.2 | 113.5 | A139 R141 Q147 | A139-R143 VanDerWaalsContact O-CB 3.26Å; A139-R143 WeakPolarHBondContact O-CB 3.46Å; A139-R143 PolarHBondContact O-N 3.49Å; R141-R143 PolarHBondContact O-N 3.42Å; R143-Q147 WeakPolarHBondContact O-CB 3.26Å; R143-Q147 PolarHBondContact O-N 3.34Å |
| 144 | Q | 93.9 | Very high | 93.6 | Very high | 129 Ų | 129 | 96.7 Ų | 96.7 | 60% | 0.603 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -73.5 | -38.8 | 175.2 | -77.5 | 171.3 | -22.3 | 0 | 0 | 111.7 | R140 R141 Q147 G148 | R140-Q144 VanDerWaalsContact O-CG 3.25Å; R140-Q144 WeakPolarHBondContact O-CG 3.32Å; R140-Q144 PolarHBondContact O-N 2.97Å; R140-Q144 VanDerWaalsContact O-N 3.15Å; R141-Q144 CarbonylContact O-C 3.59Å; R141-Q144 WeakPolarHBondContact O-CA 3.33Å; R141-Q144 WeakPolarHBondContact O-CB 3.41Å; R141-Q144 PolarHBondContact O-N 3.37Å; Q144-Q147 PolarHBondContact O-N 3.08Å; Q144-G148 PolarHBondContact O-N 3.03Å |
| 145 | E | 95.1 | Very high | 93.1 | Very high | 119 Ų | 119 | 96.9 Ų | 96.9 | 56% | 0.556 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.7 | -50.2 | 175.8 | -71.6 | 159.5 | -159.9 | 0 | 0 | 110.1 | R141 E142 Q147 G148 E149 | R141-E145 WeakPolarHBondContact O-CB 3.44Å; R141-E145 WeakPolarHBondContact O-CG 3.43Å; R141-E145 PolarHBondContact O-N 3.19Å; E142-E145 PolarHBondContact O-N 3.18Å; E145-Q147 VanDerWaalsContact C-N 3.32Å; E145-Q147 PolarHBondContact O-N 2.89Å; E145-G148 CarbonylContact O-C 3.58Å; E145-G148 WeakPolarHBondContact O-CA 3.34Å; E145-G148 PolarHBondContact O-N 3.18Å; E145-G148 VanDerWaalsContact O-N 3.09Å; E145-E149 PolarHBondContact O-N 3.27Å |
| 146 | A | 92.3 | Very high | 92.6 | Very high | 51 Ų | 51 | 96.6 Ų | 96.6 | 42% | 0.421 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.4 | -36.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E142 E149 C150 | E142-A146 WeakPolarHBondContact O-CB 3.49Å; E142-A146 PolarHBondContact O-N 3.39Å; A146-E149 PolarHBondContact O-N 2.88Å; A146-C150 WeakPolarHBondContact O-CB 3.26Å; A146-C150 PolarHBondContact O-N 2.83Å; A146-C150 PolarHBondContact O-SG 2.68Å; A146-C150 VanDerWaalsContact O-SG 3.36Å |
| 147 | Q | 90.7 | Very high | 92 | Very high | 96 Ų | 96 | 97.5 Ų | 97.5 | 45% | 0.449 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 172 | -176.7 | -178.6 | -29.4 | 0 | 0 | 111.2 | R143 Q144 E145 E149 C150 E151 | R143-Q147 WeakPolarHBondContact O-CB 3.26Å; R143-Q147 PolarHBondContact O-N 3.34Å; Q144-Q147 PolarHBondContact O-N 3.08Å; E145-Q147 VanDerWaalsContact C-N 3.32Å; E145-Q147 PolarHBondContact O-N 2.89Å; Q147-E149 VanDerWaalsContact C-N 3.35Å; Q147-E149 PolarHBondContact O-N 2.93Å; Q147-C150 PolarHBondContact O-N 2.65Å; Q147-E151 PolarHBondContact NE2-OE1 3.38Å; Q147-E151 WeakPolarHBondContact O-CG 3.26Å; Q147-E151 PolarHBondContact O-N 2.85Å |
| 148 | G | 93 | Very high | 91.2 | Very high | 38 Ų | 38 | 98.5 Ų | 98.5 | 39% | 0.392 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.4 | -38.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q144 E145 E151 A152 | Q144-G148 PolarHBondContact O-N 3.03Å; E145-G148 CarbonylContact O-C 3.58Å; E145-G148 WeakPolarHBondContact O-CA 3.34Å; E145-G148 PolarHBondContact O-N 3.18Å; E145-G148 VanDerWaalsContact O-N 3.09Å; G148-E151 PolarHBondContact O-N 3.39Å; G148-A152 WeakPolarHBondContact O-CB 3.44Å; G148-A152 PolarHBondContact O-N 2.86Å |
| 149 | E | 93.5 | Very high | 90.5 | Very high | 101 Ų | 101 | 107 Ų | 107 | 47% | 0.472 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 171.2 | -78 | -163.5 | -140.7 | 0 | 0 | 112.2 | E145 A146 Q147 E151 A152 R153 | E145-E149 PolarHBondContact O-N 3.27Å; A146-E149 PolarHBondContact O-N 2.88Å; Q147-E149 VanDerWaalsContact C-N 3.35Å; Q147-E149 PolarHBondContact O-N 2.93Å; E149-E151 VanDerWaalsContact C-N 3.3Å; E149-E151 PolarHBondContact O-N 3.48Å; E149-A152 PolarHBondContact O-N 2.92Å; E149-A152 VanDerWaalsContact O-N 3.16Å; E149-R153 WeakPolarHBondContact O-CB 3.46Å; E149-R153 VanDerWaalsContact O-CG 3.23Å; E149-R153 WeakPolarHBondContact O-CG 3.23Å; E149-R153 PolarHBondContact O-N 3.43Å; E149-R153 IonicContact OE2-CZ 2.66Å; E149-R153 IonicContact OE2-NE 3.73Å; E149-R153 IonicContact OE2-NH2 3.78Å; E149-R153 PolarHBondContact OE2-NH2 3.29Å |
| 150 | C | 88.5 | Confident | 89.8 | Confident | 86 Ų | 86 | 109.5 Ų | 109.5 | 58% | 0.581 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.4 | -37.7 | 174.9 | -77.7 | 0 | 0 | 0 | 0 | 112 | A146 Q147 G154 | A146-C150 WeakPolarHBondContact O-CB 3.26Å; A146-C150 PolarHBondContact O-N 2.83Å; A146-C150 PolarHBondContact O-SG 2.68Å; A146-C150 VanDerWaalsContact O-SG 3.36Å; Q147-C150 PolarHBondContact O-N 2.65Å; C150-G154 WeakPolarHBondContact O-CA 3.32Å; C150-G154 PolarHBondContact O-N 3.47Å |
| 151 | E | 91.3 | Very high | 88.7 | Confident | 86 Ų | 86 | 111.7 Ų | 111.7 | 40% | 0.402 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.8 | -40.2 | 171.4 | -76.2 | -174 | -143.1 | 0 | 0 | 112.6 | Q147 G148 E149 G154 R155 | Q147-E151 PolarHBondContact NE2-OE1 3.38Å; Q147-E151 WeakPolarHBondContact O-CG 3.26Å; Q147-E151 PolarHBondContact O-N 2.85Å; G148-E151 PolarHBondContact O-N 3.39Å; E149-E151 VanDerWaalsContact C-N 3.3Å; E149-E151 PolarHBondContact O-N 3.48Å; E151-G154 PolarHBondContact O-N 3.48Å; E151-R155 WeakPolarHBondContact O-CD 3.48Å; E151-R155 WeakPolarHBondContact O-CG 3.45Å; E151-R155 PolarHBondContact O-N 2.88Å; E151-R155 IonicContact OE2-CZ 3.07Å; E151-R155 IonicContact OE2-NH2 2.79Å; E151-R155 PolarHBondContact OE2-NH2 3.33Å |
| 152 | A | 91.3 | Very high | 87.3 | Confident | 55 Ų | 55 | 106.6 Ų | 106.6 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.9 | -50.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | G148 E149 G154 R155 E156 | G148-A152 WeakPolarHBondContact O-CB 3.44Å; G148-A152 PolarHBondContact O-N 2.86Å; E149-A152 PolarHBondContact O-N 2.92Å; E149-A152 VanDerWaalsContact O-N 3.16Å; A152-G154 VanDerWaalsContact C-N 3.26Å; A152-G154 PolarHBondContact O-N 3.46Å; A152-R155 PolarHBondContact O-N 3.03Å; A152-R155 VanDerWaalsContact O-N 3.16Å; A152-E156 WeakPolarHBondContact O-CB 3.45Å; A152-E156 PolarHBondContact O-N 3.31Å |
| 153 | R | 89.1 | Confident | 85.5 | Confident | 141 Ų | 141 | 104.4 Ų | 104.4 | 53% | 0.532 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.9 | -35.9 | 172 | -65 | 174.1 | -164.2 | -165.6 | 6.4 | 111.1 | E149 E156 L157 | E149-R153 WeakPolarHBondContact O-CB 3.46Å; E149-R153 VanDerWaalsContact O-CG 3.23Å; E149-R153 WeakPolarHBondContact O-CG 3.23Å; E149-R153 PolarHBondContact O-N 3.43Å; E149-R153 IonicContact OE2-CZ 2.66Å; E149-R153 IonicContact OE2-NE 3.73Å; E149-R153 IonicContact OE2-NH2 3.78Å; E149-R153 PolarHBondContact OE2-NH2 3.29Å; R153-E156 PolarHBondContact O-N 2.85Å; R153-L157 VanDerWaalsContact O-CB 3.26Å; R153-L157 WeakPolarHBondContact O-CB 3.26Å; R153-L157 VanDerWaalsContact O-CG 3.23Å; R153-L157 WeakPolarHBondContact O-CG 3.42Å; R153-L157 PolarHBondContact O-N 2.85Å |
| 154 | G | 88 | Confident | 83.2 | Confident | 35 Ų | 35 | 103.6 Ų | 103.6 | 36% | 0.361 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.6 | -43 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | C150 E151 A152 A158 | C150-G154 WeakPolarHBondContact O-CA 3.32Å; C150-G154 PolarHBondContact O-N 3.47Å; E151-G154 PolarHBondContact O-N 3.48Å; A152-G154 VanDerWaalsContact C-N 3.26Å; A152-G154 PolarHBondContact O-N 3.46Å; G154-A158 VanDerWaalsContact O-CB 3.3Å; G154-A158 WeakPolarHBondContact O-CB 3.46Å; G154-A158 PolarHBondContact O-N 3.12Å |
| 155 | R | 88.1 | Confident | 80.8 | Confident | 159 Ų | 159 | 100.4 Ų | 100.4 | 60% | 0.6 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.6 | -35.7 | 174.1 | -66.6 | 163.4 | -155.2 | -151.8 | 8.9 | 111.7 | E151 A152 A158 R159 | E151-R155 WeakPolarHBondContact O-CD 3.48Å; E151-R155 WeakPolarHBondContact O-CG 3.45Å; E151-R155 PolarHBondContact O-N 2.88Å; E151-R155 IonicContact OE2-CZ 3.07Å; E151-R155 IonicContact OE2-NH2 2.79Å; E151-R155 PolarHBondContact OE2-NH2 3.33Å; A152-R155 PolarHBondContact O-N 3.03Å; A152-R155 VanDerWaalsContact O-N 3.16Å; R155-A158 PolarHBondContact O-N 3.49Å; R155-R159 WeakPolarHBondContact O-CG 3.47Å; R155-R159 PolarHBondContact O-N 2.98Å |
| 156 | E | 86.3 | Confident | 78.6 | Confident | 113 Ų | 113 | 101.6 Ų | 101.6 | 53% | 0.528 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.4 | -46.7 | 174.3 | -175.7 | 167.9 | -146.3 | 0 | 0 | 111.8 | A152 R153 A158 R159 L160 | A152-E156 WeakPolarHBondContact O-CB 3.45Å; A152-E156 PolarHBondContact O-N 3.31Å; R153-E156 PolarHBondContact O-N 2.85Å; E156-A158 PolarHBondContact O-N 2.89Å; E156-R159 WeakPolarHBondContact O-CB 3.44Å; E156-R159 PolarHBondContact O-N 2.94Å; E156-R159 VanDerWaalsContact O-N 3.11Å; E156-L160 HydrophobicContact CG-CD1 4.1Å; E156-L160 HydrophobicContact CG-CG 4.48Å; E156-L160 WeakPolarHBondContact O-CB 3.48Å; E156-L160 WeakPolarHBondContact O-CG 3.45Å; E156-L160 PolarHBondContact O-N 3.05Å |
| 157 | L | 81.3 | Confident | 76.2 | Confident | 113 Ų | 113 | 101.5 Ų | 101.5 | 59% | 0.592 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.3 | -31.5 | 171.4 | -74.3 | 170.5 | 0 | 0 | 0 | 112.1 | R153 R161 | R153-L157 VanDerWaalsContact O-CB 3.26Å; R153-L157 WeakPolarHBondContact O-CB 3.26Å; R153-L157 VanDerWaalsContact O-CG 3.23Å; R153-L157 WeakPolarHBondContact O-CG 3.42Å; R153-L157 PolarHBondContact O-N 2.85Å; L157-R161 WeakPolarHBondContact O-CB 3.26Å; L157-R161 PolarHBondContact O-N 3.47Å |
| 158 | A | 80.5 | Confident | 73.5 | Confident | 63 Ų | 63 | 103.5 Ų | 103.5 | 52% | 0.521 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -70.6 | -40 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G154 R155 E156 G162 | G154-A158 VanDerWaalsContact O-CB 3.3Å; G154-A158 WeakPolarHBondContact O-CB 3.46Å; G154-A158 PolarHBondContact O-N 3.12Å; R155-A158 PolarHBondContact O-N 3.49Å; E156-A158 PolarHBondContact O-N 2.89Å; A158-G162 PolarHBondContact O-N 3.23Å |
| 159 | R | 82.7 | Confident | 71 | Confident | 199 Ų | 199 | 109.9 Ų | 109.9 | 75% | 0.751 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -62.9 | -46.7 | 171.1 | -74 | 169.5 | 173.9 | 171.8 | -2.7 | 111.5 | R155 E156 G162 A163 | R155-R159 WeakPolarHBondContact O-CG 3.47Å; R155-R159 PolarHBondContact O-N 2.98Å; E156-R159 WeakPolarHBondContact O-CB 3.44Å; E156-R159 PolarHBondContact O-N 2.94Å; E156-R159 VanDerWaalsContact O-N 3.11Å; R159-G162 WeakPolarHBondContact O-CA 3.42Å; R159-G162 PolarHBondContact O-N 2.65Å; R159-A163 PolarHBondContact O-N 2.89Å |
| 160 | L | 78.6 | Confident | 68.3 | Low | 102 Ų | 102 | 114 Ų | 114 | 53% | 0.534 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66.3 | -38.3 | 177.7 | -69.7 | 173.1 | 0 | 0 | 0 | 111.5 | E156 G162 A163 R164 | E156-L160 HydrophobicContact CG-CD1 4.1Å; E156-L160 HydrophobicContact CG-CG 4.48Å; E156-L160 WeakPolarHBondContact O-CB 3.48Å; E156-L160 WeakPolarHBondContact O-CG 3.45Å; E156-L160 PolarHBondContact O-N 3.05Å; L160-G162 VanDerWaalsContact C-N 3.31Å; L160-A163 PolarHBondContact O-N 3.49Å; L160-R164 WeakPolarHBondContact O-CA 3.31Å; L160-R164 WeakPolarHBondContact O-CB 3.43Å; L160-R164 PolarHBondContact O-N 2.91Å |
| 161 | R | 73.4 | Confident | 65.7 | Low | 203 Ų | 203 | 121.5 Ų | 121.5 | 77% | 0.766 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -72.9 | -22.2 | 172.3 | -169.6 | -176.6 | -70.4 | -168.1 | -2.3 | 112.5 | L157 R164 G165 | L157-R161 WeakPolarHBondContact O-CB 3.26Å; L157-R161 PolarHBondContact O-N 3.47Å; R161-R164 CarbonylContact O-C 3.59Å; R161-G165 VanDerWaalsContact O-CA 3.22Å; R161-G165 WeakPolarHBondContact O-CA 3.28Å; R161-G165 PolarHBondContact O-N 3.44Å |
| 162 | G | 64.7 | Low | 63.1 | Low | 53 Ų | 53 | 126.7 Ų | 126.7 | 55% | 0.546 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -69.9 | -50.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A158 R159 L160 G165 | A158-G162 PolarHBondContact O-N 3.23Å; R159-G162 WeakPolarHBondContact O-CA 3.42Å; R159-G162 PolarHBondContact O-N 2.65Å; L160-G162 VanDerWaalsContact C-N 3.31Å; G162-G165 PolarHBondContact O-N 3.04Å |
| 163 | A | 58.3 | Low | 60.3 | Low | 78 Ų | 78 | 127.5 Ų | 127.5 | 65% | 0.645 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -64.6 | -39.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R159 L160 G165 | R159-A163 PolarHBondContact O-N 2.89Å; L160-A163 PolarHBondContact O-N 3.49Å; A163-G165 PolarHBondContact O-N 3.41Å |
| 164 | R | 47.5 | Very low | 59 | Low | 156 Ų | 156 | 126.7 Ų | 126.7 | 59% | 0.589 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -84.6 | 8.3 | 172.8 | -148.8 | -167.9 | -169.6 | -123.6 | 6 | 112.2 | L160 R161 V166 A167 | L160-R164 WeakPolarHBondContact O-CA 3.31Å; L160-R164 WeakPolarHBondContact O-CB 3.43Å; L160-R164 PolarHBondContact O-N 2.91Å; R161-R164 CarbonylContact O-C 3.59Å; R164-V166 PolarHBondContact O-N 3.21Å; R164-A167 HydrophobicContact CG-CB 4.1Å; R164-A167 WeakPolarHBondContact CG-O 3.4Å; R164-A167 CarbonylContact O-C 3.57Å; R164-A167 VanDerWaalsContact O-C 3.29Å; R164-A167 WeakPolarHBondContact O-CA 3.23Å; R164-A167 PolarHBondContact O-N 2.95Å; R164-A167 VanDerWaalsContact O-O 3.14Å |
| 165 | G | 43.5 | Very low | 56.4 | Low | 62 Ų | 62 | 133.3 Ų | 133.3 | 64% | 0.639 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -69 | -10.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | R161 G162 A163 | R161-G165 VanDerWaalsContact O-CA 3.22Å; R161-G165 WeakPolarHBondContact O-CA 3.28Å; R161-G165 PolarHBondContact O-N 3.44Å; G162-G165 PolarHBondContact O-N 3.04Å; A163-G165 PolarHBondContact O-N 3.41Å |
| 166 | V | 48.4 | Very low | 54.4 | Low | 143 Ų | 143 | 131 Ų | 131 | 87% | 0.867 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -86.6 | -9.9 | 168.4 | -172.5 | 0 | 0 | 0 | 0 | 111.6 | R164 | R164-V166 PolarHBondContact O-N 3.21Š|
| 167 | A | 40.8 | Very low | 52.1 | Low | 49 Ų | 49 | 134.9 Ų | 134.9 | 41% | 0.405 | 72% | 0.721 | S | S | . | * | S | Bend | trans | -143.8 | 93 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R164 | R164-A167 HydrophobicContact CG-CB 4.1Å; R164-A167 WeakPolarHBondContact CG-O 3.4Å; R164-A167 CarbonylContact O-C 3.57Å; R164-A167 VanDerWaalsContact O-C 3.29Å; R164-A167 WeakPolarHBondContact O-CA 3.23Å; R164-A167 PolarHBondContact O-N 2.95Å; R164-A167 VanDerWaalsContact O-O 3.14Å |
| 168 | D | 35 | Very low | 49.8 | Very low | 138 Ų | 138 | 134.4 Ų | 134.4 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | trans | 86.2 | 144.4 | 144.7 | -160.7 | 32.2 | 0 | 0 | 0 | 119.7 | ||||
| 169 | Q | 39.7 | Very low | 47.7 | Very low | 172 Ų | 172 | 140.6 Ų | 140.6 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | -122.4 | 128.1 | 178.1 | -52.1 | 171.7 | 24.6 | 0 | 0 | 108.6 | ||||
| 170 | M | 38 | Very low | 45.3 | Very low | 189 Ų | 189 | 143 Ų | 143 | 93% | 0.931 | 76% | 0.761 | S | S | * | * | trans | 172 | 158.4 | 141 | -102.6 | -170.7 | -176.7 | 0 | 0 | 114.4 | ||||
| 171 | R | 34.4 | Very low | 43.1 | Very low | 243 Ų | 243 | 147.4 Ų | 147.4 | 92% | 0.917 | 78% | 0.779 | S | S | * | * | trans | 83.1 | 125.8 | 148.4 | -150.7 | 168.3 | -170.3 | 176.8 | 2.4 | 119.8 | ||||
| 172 | E | 36.7 | Very low | 42.3 | Very low | 194 Ų | 194 | 143.4 Ų | 143.4 | 91% | 0.907 | 78% | 0.779 | S | S | * | * | trans | -105.4 | 167.9 | 166.9 | -61.5 | 178.7 | 118.9 | 0 | 0 | 111.2 | ||||
| 173 | G | 31.5 | Very low | 40.8 | Very low | 72 Ų | 72 | 148.1 Ų | 148.1 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | 160.7 | 115.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 174 | P | 62.7 | Low | 39.8 | Very low | 125 Ų | 125 | 156 Ų | 156 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | -105.6 | -169.3 | 179.5 | 41.2 | -35 | 0 | 0 | 0 | 113.7 | ||||
| 175 | E | 32 | Very low | 39.6 | Very low | 174 Ų | 174 | 155.8 Ų | 155.8 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | 126.2 | 159.2 | 170.4 | -71.5 | -81.6 | 125.1 | 0 | 0 | 112.2 | ||||
| 176 | P | 46.7 | Very low | 39.3 | Very low | 110 Ų | 110 | 159.4 Ų | 159.4 | 71% | 0.714 | 83% | 0.83 | S | S | * | * | -134.4 | -164.3 | -57.3 | 40 | -22.2 | 0 | 0 | 0 | 113.2 | |||||
| 177 | E | 37.8 | Very low | 38.7 | Very low | 194 Ų | 194 | 155.7 Ų | 155.7 | 91% | 0.907 | 82% | 0.82 | S | S | * | * | trans | -91.5 | 177.1 | -174.1 | -58.9 | 176.9 | 127.3 | 0 | 0 | 115 | ||||
| 178 | A | 33.8 | Very low | 38.3 | Very low | 104 Ų | 104 | 159.8 Ų | 159.8 | 86% | 0.86 | 85% | 0.846 | S | S | * | * | trans | -150.9 | 129.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 179 | E | 34.9 | Very low | 38.1 | Very low | 193 Ų | 193 | 160.6 Ų | 160.6 | 90% | 0.902 | 85% | 0.845 | S | S | * | * | trans | -98.9 | 167.6 | -179.5 | -58 | -178.7 | 125.4 | 0 | 0 | 113.6 | ||||
| 180 | R | 33.9 | Very low | 37.5 | Very low | 250 Ų | 250 | 162.3 Ų | 162.3 | 94% | 0.943 | 84% | 0.844 | S | S | * | * | trans | -151.2 | 142.1 | 163.7 | -74.4 | -163.8 | 173.2 | -166.4 | -2.9 | 113.5 | ||||
| 181 | E | 32.3 | Very low | 38 | Very low | 194 Ų | 194 | 159 Ų | 159 | 91% | 0.907 | 84% | 0.837 | S | S | * | * | trans | -99.3 | 162.5 | 171.5 | -72.4 | -165.9 | 121.6 | 0 | 0 | 113.9 | ||||
| 182 | P | 56.1 | Low | 39.2 | Very low | 119 Ų | 119 | 152.9 Ų | 152.9 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | trans | -107.8 | 171.9 | -178.6 | 41 | -34.4 | 0 | 0 | 0 | 115.4 | ||||
| 183 | V | 32.8 | Very low | 39.1 | Very low | 152 Ų | 152 | 149.8 Ų | 149.8 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | trans | -132.2 | 170.8 | -179.8 | -177.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 184 | R | 37.4 | Very low | 39.4 | Very low | 244 Ų | 244 | 151.7 Ų | 151.7 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | trans | -96 | 173.4 | -148 | -81.4 | -179.8 | 169.6 | 159.2 | -3.5 | 119.8 | ||||
| 185 | D | 43.1 | Very low | 38 | Very low | 151 Ų | 151 | 153.9 Ų | 153.9 | 81% | 0.807 | 83% | 0.83 | S | S | * | * | trans | -94.3 | 156.7 | 178.2 | 167 | 44.8 | 0 | 0 | 0 | 114.6 | ||||
| 186 | V | 36.8 | Very low | 38.1 | Very low | 138 Ų | 138 | 152.8 Ų | 152.8 | 84% | 0.836 | 83% | 0.825 | S | S | * | * | trans | -158 | 144.7 | 173 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 187 | G | 35.7 | Very low | 37.5 | Very low | 64 Ų | 64 | 155 Ų | 155 | 66% | 0.66 | 83% | 0.83 | S | S | * | * | trans | -140 | -173 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 188 | S | 33 | Very low | 37.5 | Very low | 136 Ų | 136 | 153.9 Ų | 153.9 | 95% | 0.951 | 82% | 0.824 | S | S | * | * | trans | -165.8 | 174.2 | 177.9 | -84.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 189 | E | 30.2 | Very low | 37.6 | Very low | 154 Ų | 154 | 156.6 Ų | 156.6 | 72% | 0.72 | 82% | 0.824 | S | S | * | * | trans | -147.1 | 161.9 | -165 | -117.8 | -155.3 | 158.2 | 0 | 0 | 116.1 | ||||
| 190 | R | 28.3 | Very low | 37.4 | Very low | 208 Ų | 208 | 153.4 Ų | 153.4 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | trans | 90.6 | 160 | 144.1 | -79.7 | -174.5 | -165.1 | -119.9 | -11.5 | 125.4 | ||||
| 191 | P | 47.9 | Very low | 37.3 | Very low | 120 Ų | 120 | 149.6 Ų | 149.6 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | trans | -129.2 | -106.8 | -140.5 | 27.9 | 1 | 0 | 0 | 0 | 123 | ||||
| 192 | P | 59.7 | Low | 37.2 | Very low | 115 Ų | 115 | 145 Ų | 145 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | -134.8 | -176.3 | -121 | 44.5 | -25.6 | 0 | 0 | 0 | 120 | |||||
| 193 | S | 34.1 | Very low | 35.9 | Very low | 128 Ų | 128 | 147 Ų | 147 | 90% | 0.895 | 80% | 0.803 | S | S | * | * | trans | -166.9 | -170.9 | 165.5 | 60.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 194 | S | 38.8 | Very low | 35.6 | Very low | 113 Ų | 113 | 146.6 Ų | 146.6 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -127.5 | -175.7 | -149.4 | -40.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 195 | Q | 32.6 | Very low | 35.2 | Very low | 171 Ų | 171 | 144 Ų | 144 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | trans | -163.6 | -171.9 | 162.1 | -76.3 | -148.8 | -90.2 | 0 | 0 | 112.5 | ||||
| 196 | E | 33.9 | Very low | 34.4 | Very low | 151 Ų | 151 | 141 Ų | 141 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | -167.2 | 149.7 | -78 | -91.4 | 152.4 | -177.6 | 0 | 0 | 116.6 | |||||
| 197 | L | 35.2 | Very low | 33.9 | Very low | 156 Ų | 156 | 142.9 Ų | 142.9 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | trans | 61.9 | 173 | 156.8 | -60.6 | 175.2 | 0 | 0 | 0 | 122 | ||||
| 198 | E | 37.3 | Very low | 34.4 | Very low | 170 Ų | 170 | 145 Ų | 145 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | cis | -145.2 | -128.9 | 7.5 | -148.3 | 164.3 | -108.6 | 0 | 0 | 118 | ||||
| 199 | L | 36.8 | Very low | 34.2 | Very low | 161 Ų | 161 | 148 Ų | 148 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -150.8 | -168.5 | -152.5 | -100.8 | 166.3 | 0 | 0 | 0 | 120.7 | ||||
| 200 | V | 29 | Very low | 34.2 | Very low | 127 Ų | 127 | 149.3 Ų | 149.3 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | 99.3 | 138.8 | 168 | 179.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 201 | E | 31.9 | Very low | 34.2 | Very low | 169 Ų | 169 | 145 Ų | 145 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | cis | 112 | 140.2 | -3 | -164.9 | 170 | -150 | 0 | 0 | 117.4 | ||||
| 202 | S | 31.4 | Very low | 33.2 | Very low | 99 Ų | 99 | 148.7 Ų | 148.7 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | cis | -170.8 | -169.7 | -26.7 | -88.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 203 | L | 28.6 | Very low | 31.7 | Very low | 160 Ų | 160 | 150.8 Ų | 150.8 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | 86.4 | 172.9 | 169.7 | -75.4 | 82.8 | 0 | 0 | 0 | 120.8 | ||||
| 204 | L | 26.4 | Very low | 31.3 | Very low | 143 Ų | 143 | 149.5 Ų | 149.5 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | -176.2 | 123.5 | -69 | -110.3 | 171.3 | 0 | 0 | 0 | 115.1 | |||||
| 205 | K | 27.8 | Very low | 30.9 | Very low | 189 Ų | 189 | 156.2 Ų | 156.2 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | 58.6 | -174.2 | 152.5 | -83.1 | -169.8 | 172 | -171 | 0 | 121.6 | ||||
| 206 | S | 27.6 | Very low | 30.7 | Very low | 88 Ų | 88 | 156.5 Ų | 156.5 | 62% | 0.615 | 80% | 0.803 | S | S | * | * | 177.5 | 144.9 | -68.6 | 62.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 207 | M | 26.9 | Very low | 30.4 | Very low | 178 Ų | 178 | 152.8 Ų | 152.8 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | 169.1 | 159.8 | 149.4 | -92 | -49.5 | -84.8 | 0 | 0 | 115.3 | ||||
| 208 | P | 46 | Very low | 30.1 | Very low | 109 Ų | 109 | 156.8 Ų | 156.8 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | trans | -125.1 | -176.9 | 172.6 | 43.3 | -30.3 | 0 | 0 | 0 | 116.1 | ||||
| 209 | E | 27.1 | Very low | 29.9 | Very low | 198 Ų | 198 | 154.1 Ų | 154.1 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | -153.4 | 174.2 | 175.7 | -138.6 | 172.9 | -149.4 | 0 | 0 | 115.2 | ||||
| 210 | E | 30.2 | Very low | 29.6 | Very low | 183 Ų | 183 | 153.5 Ų | 153.5 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | trans | -130.6 | 164.7 | -165.3 | -50.6 | 176.9 | 133.4 | 0 | 0 | 114.7 | ||||
| 211 | S | 28.3 | Very low | 29.7 | Very low | 118 Ų | 118 | 150.7 Ų | 150.7 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | 169.6 | 142.2 | 141.5 | -81.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 212 | E | 27.1 | Very low | 29.8 | Very low | 197 Ų | 197 | 148.3 Ų | 148.3 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | 151.6 | 142.8 | 125.9 | -82.4 | -155.9 | 149.9 | 0 | 0 | 113.5 | |||||
| 213 | D | 28.2 | Very low | 29.7 | Very low | 159 Ų | 159 | 147.6 Ų | 147.6 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | trans | -155.1 | 152.7 | -175.3 | -162.7 | 6.3 | 0 | 0 | 0 | 113.8 | ||||
| 214 | C | 26.5 | Very low | 29.8 | Very low | 101 Ų | 101 | 143.6 Ų | 143.6 | 68% | 0.682 | 82% | 0.817 | S | S | * | * | trans | 55.3 | 136.8 | 159.9 | -158.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 215 | W | 30.2 | Very low | 31.1 | Very low | 253 Ų | 253 | 142.5 Ų | 142.5 | 96% | 0.958 | 82% | 0.819 | S | S | * | * | trans | -147.6 | 150.1 | 161.7 | -83.6 | 94.7 | 0 | 0 | 0 | 112 | ||||
| 216 | E | 28.1 | Very low | 31.3 | Very low | 178 Ų | 178 | 145.5 Ų | 145.5 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | trans | -138.8 | 162.7 | 179.3 | -148.5 | -159.6 | -138.1 | 0 | 0 | 113.9 | ||||
| 217 | A | 28.7 | Very low | 31.4 | Very low | 73 Ų | 73 | 145 Ų | 145 | 60% | 0.603 | 83% | 0.833 | S | S | * | * | trans | 68.8 | 124.4 | 153.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 218 | R | 28.1 | Very low | 31.6 | Very low | 239 Ų | 239 | 142.4 Ų | 142.4 | 90% | 0.902 | 83% | 0.833 | S | S | * | * | -160.8 | 152 | 124.8 | -142.6 | 160.9 | -67.3 | -150.8 | 1.3 | 115.1 | |||||
| 219 | S | 32.3 | Very low | 30.8 | Very low | 114 Ų | 114 | 143.2 Ų | 143.2 | 80% | 0.797 | 84% | 0.841 | S | S | * | * | trans | -118.9 | 150.5 | 171.2 | -52.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 220 | V | 32.1 | Very low | 31.1 | Very low | 149 Ų | 149 | 137.1 Ų | 137.1 | 90% | 0.903 | 83% | 0.832 | S | S | * | * | trans | -149.6 | 159.2 | 163.5 | -167.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 221 | G | 30.4 | Very low | 31.2 | Very low | 68 Ų | 68 | 138.4 Ų | 138.4 | 70% | 0.701 | 83% | 0.829 | S | S | * | * | trans | -163.8 | -179.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 222 | A | 33.9 | Very low | 31.2 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 98% | 0.975 | 83% | 0.833 | S | S | * | * | trans | 69.4 | 128.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 223 | G | 30.3 | Very low | 31.2 | Very low | 84 Ų | 84 | 138.7 Ų | 138.7 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | trans | 172 | 135.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 224 | G | 29.2 | Very low | 31.2 | Very low | 77 Ų | 77 | 141.4 Ų | 141.4 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | -115.6 | -143.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 225 | P | 54.6 | Low | 31.3 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | cis | -143.3 | -161.4 | -9.2 | 41.7 | -20.8 | 0 | 0 | 0 | 115 | ||||
| 226 | R | 31.9 | Very low | 31.4 | Very low | 251 Ų | 251 | 139.9 Ų | 139.9 | 95% | 0.947 | 81% | 0.809 | S | S | * | * | trans | 72.3 | 154.5 | 175.8 | -60.7 | 179.6 | 169.8 | -155.1 | -2.7 | 115.5 | ||||
| 227 | G | 29.7 | Very low | 31.6 | Very low | 77 Ų | 77 | 138.8 Ų | 138.8 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | cis | 163.5 | 173.6 | -1.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 228 | S | 30.5 | Very low | 32.4 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | cis | -171.1 | -179.1 | -7.8 | -165.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 229 | S | 30.4 | Very low | 32.5 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 88% | 0.881 | 80% | 0.802 | S | S | * | * | trans | 79.6 | 149.7 | 173.9 | -149.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 230 | G | 32 | Very low | 32.5 | Very low | 71 Ų | 71 | 140.2 Ų | 140.2 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | cis | -156.9 | -176.6 | 6.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 231 | R | 32.6 | Very low | 32.7 | Very low | 209 Ų | 209 | 138.5 Ų | 138.5 | 79% | 0.789 | 78% | 0.783 | S | S | * | * | trans | -142.2 | 136.6 | -163.8 | -178.4 | -167.4 | -164.5 | -74.5 | -2.5 | 112.1 | E233 | R231-E233 IonicContact CZ-OE2 2.74Å; R231-E233 VanDerWaalsContact CZ-OE2 3.29Å; R231-E233 IonicContact NH1-OE2 3.81Å; R231-E233 PolarHBondContact NH1-OE2 3.36Å; R231-E233 IonicContact NH2-OE2 2.99Å; R231-E233 PolarHBondContact NH2-OE2 3.42Å | ||
| 232 | Q | 28.5 | Very low | 33.1 | Very low | 197 Ų | 197 | 141 Ų | 141 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | -151.7 | 164.5 | 161.7 | -142.6 | 171 | 21.8 | 0 | 0 | 113.3 | ||||
| 233 | E | 27.9 | Very low | 33.7 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 58% | 0.584 | 77% | 0.769 | S | S | * | * | trans | -161.2 | 155.8 | -160 | -164.8 | -172.6 | 139.6 | 0 | 0 | 111.1 | R231 | R231-E233 IonicContact CZ-OE2 2.74Å; R231-E233 VanDerWaalsContact CZ-OE2 3.29Å; R231-E233 IonicContact NH1-OE2 3.81Å; R231-E233 PolarHBondContact NH1-OE2 3.36Å; R231-E233 IonicContact NH2-OE2 2.99Å; R231-E233 PolarHBondContact NH2-OE2 3.42Å | ||
| 234 | R | 27.1 | Very low | 34.9 | Very low | 215 Ų | 215 | 139.2 Ų | 139.2 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | trans | 90.3 | 148.5 | 149.7 | -151.2 | 177.1 | -170.3 | -119.9 | 0.6 | 121.1 | ||||
| 235 | S | 28.1 | Very low | 36 | Very low | 89 Ų | 89 | 143.1 Ų | 143.1 | 62% | 0.622 | 75% | 0.752 | S | S | * | * | trans | 84.2 | 145.4 | 165.8 | -53.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 236 | R | 32.5 | Very low | 36 | Very low | 233 Ų | 233 | 146 Ų | 146 | 88% | 0.879 | 76% | 0.755 | S | S | * | * | cis | -159.7 | 161.2 | -2.8 | -120.6 | 172.7 | -163.5 | -139.5 | 5.6 | 111.7 | ||||
| 237 | L | 32.9 | Very low | 37.3 | Very low | 155 Ų | 155 | 139 Ų | 139 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | trans | -75.7 | 179.3 | 161.4 | -61.7 | 169.7 | 0 | 0 | 0 | 110.3 | ||||
| 238 | P | 44.7 | Very low | 39 | Very low | 80 Ų | 80 | 141.1 Ų | 141.1 | 52% | 0.519 | 72% | 0.723 | S | S | . | * | cis | -127.8 | -160.8 | 9.7 | 16.5 | 14.3 | 0 | 0 | 0 | 111.9 | ||||
| 239 | W | 31.6 | Very low | 40.8 | Very low | 227 Ų | 227 | 138.1 Ų | 138.1 | 86% | 0.86 | 71% | 0.705 | S | S | * | * | cis | -146.2 | 173.5 | 22 | -46.6 | -90 | 0 | 0 | 0 | 114.4 | ||||
| 240 | E | 30.8 | Very low | 42.8 | Very low | 150 Ų | 150 | 135.8 Ų | 135.8 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | trans | -88.8 | 173.4 | 171 | -42.8 | 67.5 | -150 | 0 | 0 | 109.1 | ||||
| 241 | D | 36.4 | Very low | 45.2 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 60% | 0.604 | 68% | 0.676 | S | S | * | * | cis | -159.8 | -174.4 | -2 | -145.1 | 7.4 | 0 | 0 | 0 | 106.4 | T244 | D241-T244 WeakPolarHBondContact OD1-CG2 3.5Š| ||
| 242 | T | 38.6 | Very low | 47.6 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 74% | 0.742 | 66% | 0.664 | S | S | * | * | S | Bend | cis | -136.3 | 120.4 | 8.9 | 57.2 | 0 | 0 | 0 | 0 | 111.2 | ||
| 243 | A | 47.4 | Very low | 50 | Low | 78 Ų | 78 | 126.9 Ų | 126.9 | 65% | 0.645 | 64% | 0.644 | S | S | * | * | trans | -162.7 | 27.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | M245 | A243-M245 PolarHBondContact O-N 2.96Å; A243-M245 VanDerWaalsContact O-N 3.17Å | ||
| 244 | T | 54.8 | Low | 52.7 | Low | 85 Ų | 85 | 123.2 Ų | 123.2 | 52% | 0.521 | 64% | 0.635 | S | S | . | * | trans | -93 | 78.3 | -150.7 | 41.7 | 0 | 0 | 0 | 0 | 114.9 | D241 | D241-T244 WeakPolarHBondContact OD1-CG2 3.5Š| ||
| 245 | M | 52.1 | Low | 55.5 | Low | 160 Ų | 160 | 118.2 Ų | 118.2 | 79% | 0.788 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -146.9 | -49 | 156.8 | -152.7 | 179 | -175.1 | 0 | 0 | 115.7 | A243 E247 E248 | A243-M245 PolarHBondContact O-N 2.96Å; A243-M245 VanDerWaalsContact O-N 3.17Å; M245-E247 PolarHBondContact O-N 3.01Å; M245-E248 PolarHBondContact O-N 2.8Å |
| 246 | E | 54.8 | Low | 58.2 | Low | 179 Ų | 179 | 122 Ų | 122 | 84% | 0.836 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.6 | -34.5 | -177.9 | -71.5 | -172.5 | 114.4 | 0 | 0 | 112.9 | E248 S250 | E246-E248 VanDerWaalsContact C-N 3.3Å; E246-E248 PolarHBondContact O-N 2.97Å; E246-S250 PolarHBondContact O-N 3Å; E246-S250 PolarHBondContact O-OG 2.73Å; E246-S250 VanDerWaalsContact O-OG 3.1Å |
| 247 | E | 59.9 | Low | 60.8 | Low | 106 Ų | 106 | 115.6 Ų | 115.6 | 50% | 0.495 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.8 | -30.3 | -180 | -65.3 | -163.2 | 166 | 0 | 0 | 113.6 | M245 S250 K251 | M245-E247 PolarHBondContact O-N 3.01Å; E247-S250 WeakPolarHBondContact O-CB 3.43Å; E247-S250 PolarHBondContact O-N 3.45Å; E247-K251 HydrophobicContact CB-CD 4.43Å; E247-K251 WeakPolarHBondContact O-CB 3.41Å; E247-K251 WeakPolarHBondContact O-CD 3.42Å; E247-K251 WeakPolarHBondContact O-CG 3.49Å; E247-K251 PolarHBondContact O-N 3.18Å; E247-K251 WeakPolarHBondContact OE2-CE 3.39Å; E247-K251 IonicContact OE2-NZ 2.63Å; E247-K251 PolarHBondContact OE2-NZ 2.92Å |
| 248 | E | 66.1 | Low | 63.5 | Low | 121 Ų | 121 | 116.9 Ų | 116.9 | 57% | 0.565 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -72.5 | -37.8 | -175.3 | -60.9 | -156.1 | 143.7 | 0 | 0 | 112 | M245 E246 S250 K251 L252 | M245-E248 PolarHBondContact O-N 2.8Å; E246-E248 VanDerWaalsContact C-N 3.3Å; E246-E248 PolarHBondContact O-N 2.97Å; E248-S250 VanDerWaalsContact C-N 3.27Å; E248-S250 PolarHBondContact O-N 3Å; E248-K251 PolarHBondContact O-N 3.46Å; E248-L252 WeakPolarHBondContact O-CB 3.19Å; E248-L252 PolarHBondContact O-N 2.82Å |
| 249 | A | 67.3 | Low | 65.6 | Low | 60 Ų | 60 | 117.4 Ų | 117.4 | 50% | 0.496 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.4 | -38.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T253 | A249-T253 WeakPolarHBondContact O-CB 3.36Å; A249-T253 PolarHBondContact O-N 2.96Å; A249-T253 PolarHBondContact O-OG1 3.2Å |
| 250 | S | 73.6 | Confident | 68.3 | Low | 77 Ų | 77 | 110 Ų | 110 | 54% | 0.538 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.1 | -47.1 | 175.5 | -53.2 | 0 | 0 | 0 | 0 | 111.4 | E246 E247 E248 T253 A254 | E246-S250 PolarHBondContact O-N 3Å; E246-S250 PolarHBondContact O-OG 2.73Å; E246-S250 VanDerWaalsContact O-OG 3.1Å; E247-S250 WeakPolarHBondContact O-CB 3.43Å; E247-S250 PolarHBondContact O-N 3.45Å; E248-S250 VanDerWaalsContact C-N 3.27Å; E248-S250 PolarHBondContact O-N 3Å; S250-T253 PolarHBondContact O-N 3.25Å; S250-A254 WeakPolarHBondContact O-CB 3.49Å; S250-A254 PolarHBondContact O-N 3.34Å |
| 251 | K | 81.4 | Confident | 71.2 | Confident | 106 Ų | 106 | 108.1 Ų | 108.1 | 46% | 0.461 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.8 | -43.9 | 177.7 | -70.9 | 159.9 | -171.2 | 166.4 | 0 | 111.7 | E247 E248 T253 A254 L255 | E247-K251 HydrophobicContact CB-CD 4.43Å; E247-K251 WeakPolarHBondContact O-CB 3.41Å; E247-K251 WeakPolarHBondContact O-CD 3.42Å; E247-K251 WeakPolarHBondContact O-CG 3.49Å; E247-K251 PolarHBondContact O-N 3.18Å; E247-K251 WeakPolarHBondContact OE2-CE 3.39Å; E247-K251 IonicContact OE2-NZ 2.63Å; E247-K251 PolarHBondContact OE2-NZ 2.92Å; E248-K251 PolarHBondContact O-N 3.46Å; K251-T253 VanDerWaalsContact C-N 3.33Å; K251-T253 PolarHBondContact O-N 3.07Å; K251-A254 PolarHBondContact O-N 3.41Å; K251-L255 WeakPolarHBondContact O-CG 3.38Å; K251-L255 PolarHBondContact O-N 3.28Å |
| 252 | L | 82.1 | Confident | 73.6 | Confident | 104 Ų | 104 | 105.2 Ų | 105.2 | 55% | 0.545 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.3 | -39.9 | 176 | -171.6 | 71.6 | 0 | 0 | 0 | 111.9 | E248 L255 R256 | E248-L252 WeakPolarHBondContact O-CB 3.19Å; E248-L252 PolarHBondContact O-N 2.82Å; L252-L255 PolarHBondContact O-N 2.89Å; L252-R256 PolarHBondContact O-N 3.34Å |
| 253 | T | 80.2 | Confident | 76.1 | Confident | 81 Ų | 81 | 104 Ų | 104 | 50% | 0.497 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.2 | -42.4 | 177.6 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | A249 S250 K251 L255 R256 L257 | A249-T253 WeakPolarHBondContact O-CB 3.36Å; A249-T253 PolarHBondContact O-N 2.96Å; A249-T253 PolarHBondContact O-OG1 3.2Å; S250-T253 PolarHBondContact O-N 3.25Å; K251-T253 VanDerWaalsContact C-N 3.33Å; K251-T253 PolarHBondContact O-N 3.07Å; T253-L255 VanDerWaalsContact C-N 3.32Å; T253-L255 PolarHBondContact O-N 3.18Å; T253-R256 PolarHBondContact O-N 2.96Å; T253-L257 PolarHBondContact O-N 3.37Å |
| 254 | A | 83.9 | Confident | 78.3 | Confident | 48 Ų | 48 | 107 Ų | 107 | 40% | 0.397 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.9 | -35.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S250 K251 R258 | S250-A254 WeakPolarHBondContact O-CB 3.49Å; S250-A254 PolarHBondContact O-N 3.34Å; K251-A254 PolarHBondContact O-N 3.41Å; A254-R258 WeakPolarHBondContact O-CB 3.43Å; A254-R258 WeakPolarHBondContact O-CG 3.18Å; A254-R258 PolarHBondContact O-N 2.87Å |
| 255 | L | 85.9 | Confident | 80.1 | Confident | 109 Ų | 109 | 106.7 Ų | 106.7 | 57% | 0.571 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.2 | -36.6 | 173.6 | -73.1 | 172 | 0 | 0 | 0 | 112.6 | K251 L252 T253 L259 | K251-L255 WeakPolarHBondContact O-CG 3.38Å; K251-L255 PolarHBondContact O-N 3.28Å; L252-L255 PolarHBondContact O-N 2.89Å; T253-L255 VanDerWaalsContact C-N 3.32Å; T253-L255 PolarHBondContact O-N 3.18Å; L255-L259 WeakPolarHBondContact O-CB 3.22Å; L255-L259 PolarHBondContact O-N 3.38Å |
| 256 | R | 85.8 | Confident | 82 | Confident | 169 Ų | 169 | 103.1 Ų | 103.1 | 64% | 0.638 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.5 | -48.5 | 171 | -79.5 | -175.9 | 172.2 | -177.8 | -2 | 111.8 | L252 T253 R258 L259 D260 | L252-R256 PolarHBondContact O-N 3.34Å; T253-R256 PolarHBondContact O-N 2.96Å; R256-R258 VanDerWaalsContact C-N 3.34Å; R256-R258 PolarHBondContact O-N 2.88Å; R256-L259 WeakPolarHBondContact O-CA 3.31Å; R256-L259 WeakPolarHBondContact O-CB 3.35Å; R256-L259 PolarHBondContact O-N 2.86Å; R256-D260 PolarHBondContact O-N 3.35Å |
| 257 | L | 87.1 | Confident | 83.8 | Confident | 99 Ų | 99 | 99 Ų | 99 | 52% | 0.518 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.3 | -44.6 | 177.1 | -72.1 | 169.4 | 0 | 0 | 0 | 111.8 | T253 L259 D260 E261 | T253-L257 PolarHBondContact O-N 3.37Å; L257-L259 VanDerWaalsContact C-N 3.31Å; L257-L259 PolarHBondContact O-N 2.88Å; L257-D260 PolarHBondContact O-N 3.1Å; L257-E261 WeakPolarHBondContact O-CB 3.4Å; L257-E261 VanDerWaalsContact O-CG 3.23Å; L257-E261 WeakPolarHBondContact O-CG 3.34Å; L257-E261 PolarHBondContact O-N 3.18Å |
| 258 | R | 87.9 | Confident | 85.5 | Confident | 181 Ų | 181 | 99.9 Ų | 99.9 | 68% | 0.683 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.9 | -32.9 | 173.8 | -80.2 | -178.7 | 165.1 | -171.2 | -3.7 | 113.9 | A254 R256 S262 | A254-R258 WeakPolarHBondContact O-CB 3.43Å; A254-R258 WeakPolarHBondContact O-CG 3.18Å; A254-R258 PolarHBondContact O-N 2.87Å; R256-R258 VanDerWaalsContact C-N 3.34Å; R256-R258 PolarHBondContact O-N 2.88Å; R258-S262 WeakPolarHBondContact O-CB 3.49Å; R258-S262 PolarHBondContact O-N 3.49Å; R258-S262 PolarHBondContact O-OG 3.22Å |
| 259 | L | 88.9 | Confident | 86.8 | Confident | 91 Ų | 91 | 99.3 Ų | 99.3 | 48% | 0.476 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.7 | -44.3 | 174 | 179.6 | 61.9 | 0 | 0 | 0 | 111 | L255 R256 L257 E261 S262 Q263 | L255-L259 WeakPolarHBondContact O-CB 3.22Å; L255-L259 PolarHBondContact O-N 3.38Å; R256-L259 WeakPolarHBondContact O-CA 3.31Å; R256-L259 WeakPolarHBondContact O-CB 3.35Å; R256-L259 PolarHBondContact O-N 2.86Å; L257-L259 VanDerWaalsContact C-N 3.31Å; L257-L259 PolarHBondContact O-N 2.88Å; L259-E261 VanDerWaalsContact C-N 3.33Å; L259-E261 PolarHBondContact O-N 2.92Å; L259-S262 PolarHBondContact O-N 3.22Å; L259-S262 PolarHBondContact O-OG 3.17Å; L259-S262 VanDerWaalsContact O-OG 3.04Å; L259-Q263 HydrophobicContact CD1-CG 4.4Å; L259-Q263 WeakPolarHBondContact O-CB 3.32Å; L259-Q263 VanDerWaalsContact O-CG 3.3Å; L259-Q263 WeakPolarHBondContact O-CG 3.45Å; L259-Q263 PolarHBondContact O-N 3.06Å |
| 260 | D | 88.9 | Confident | 88 | Confident | 71 Ų | 71 | 104 Ų | 104 | 38% | 0.38 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.3 | -36.6 | 177.8 | -63.8 | -19.5 | 0 | 0 | 0 | 111.4 | R256 L257 K264 | R256-D260 PolarHBondContact O-N 3.35Å; L257-D260 PolarHBondContact O-N 3.1Å; D260-K264 WeakPolarHBondContact O-CB 3.03Å; D260-K264 VanDerWaalsContact O-CD 3.32Å; D260-K264 WeakPolarHBondContact O-CD 3.36Å; D260-K264 WeakPolarHBondContact O-CG 3.44Å; D260-K264 PolarHBondContact O-N 3.43Å |
| 261 | E | 91.3 | Very high | 89 | Confident | 112 Ų | 112 | 106.4 Ų | 106.4 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63 | -49 | 170.1 | -75.3 | 167.9 | 174.7 | 0 | 0 | 111.4 | L257 L259 Q263 K264 V265 | L257-E261 WeakPolarHBondContact O-CB 3.4Å; L257-E261 VanDerWaalsContact O-CG 3.23Å; L257-E261 WeakPolarHBondContact O-CG 3.34Å; L257-E261 PolarHBondContact O-N 3.18Å; L259-E261 VanDerWaalsContact C-N 3.33Å; L259-E261 PolarHBondContact O-N 2.92Å; E261-Q263 VanDerWaalsContact C-N 3.32Å; E261-Q263 PolarHBondContact O-N 2.86Å; E261-K264 PolarHBondContact O-N 2.74Å; E261-V265 WeakPolarHBondContact O-CG2 3.09Å; E261-V265 PolarHBondContact O-N 3.46Å |
| 262 | S | 87.5 | Confident | 89.6 | Confident | 52 Ų | 52 | 105.2 Ų | 105.2 | 36% | 0.364 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.8 | -32.4 | 179.2 | 74.1 | 0 | 0 | 0 | 0 | 112.7 | R258 L259 V265 L266 | R258-S262 WeakPolarHBondContact O-CB 3.49Å; R258-S262 PolarHBondContact O-N 3.49Å; R258-S262 PolarHBondContact O-OG 3.22Å; L259-S262 PolarHBondContact O-N 3.22Å; L259-S262 PolarHBondContact O-OG 3.17Å; L259-S262 VanDerWaalsContact O-OG 3.04Å; S262-V265 PolarHBondContact O-N 2.78Å; S262-L266 WeakPolarHBondContact O-CB 3.48Å; S262-L266 VanDerWaalsContact O-CG 3.29Å; S262-L266 WeakPolarHBondContact O-CG 3.14Å; S262-L266 PolarHBondContact O-N 2.89Å |
| 263 | Q | 92.1 | Very high | 90.3 | Very high | 96 Ų | 96 | 107 Ų | 107 | 45% | 0.449 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.5 | -41.5 | 171.2 | -73.4 | -179.2 | 28.5 | 0 | 0 | 112.2 | L259 E261 V265 L266 L267 | L259-Q263 HydrophobicContact CD1-CG 4.4Å; L259-Q263 WeakPolarHBondContact O-CB 3.32Å; L259-Q263 VanDerWaalsContact O-CG 3.3Å; L259-Q263 WeakPolarHBondContact O-CG 3.45Å; L259-Q263 PolarHBondContact O-N 3.06Å; E261-Q263 VanDerWaalsContact C-N 3.32Å; E261-Q263 PolarHBondContact O-N 2.86Å; Q263-V265 VanDerWaalsContact C-N 3.35Å; Q263-L266 PolarHBondContact O-N 2.95Å; Q263-L267 WeakPolarHBondContact O-CB 3.35Å; Q263-L267 VanDerWaalsContact O-CG 3.31Å; Q263-L267 WeakPolarHBondContact O-CG 3.4Å; Q263-L267 PolarHBondContact O-N 3.11Å |
| 264 | K | 93.6 | Very high | 91 | Very high | 141 Ų | 141 | 107.6 Ų | 107.6 | 61% | 0.613 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.9 | -40.4 | 173.2 | -72.4 | 160.8 | -169.7 | 164.7 | 0 | 111.8 | D260 E261 L267 K268 | D260-K264 WeakPolarHBondContact O-CB 3.03Å; D260-K264 VanDerWaalsContact O-CD 3.32Å; D260-K264 WeakPolarHBondContact O-CD 3.36Å; D260-K264 WeakPolarHBondContact O-CG 3.44Å; D260-K264 PolarHBondContact O-N 3.43Å; E261-K264 PolarHBondContact O-N 2.74Å; K264-L267 PolarHBondContact O-N 2.74Å; K264-K268 WeakPolarHBondContact O-CB 3.26Å; K264-K268 PolarHBondContact O-N 2.91Å |
| 265 | V | 92.5 | Very high | 91.5 | Very high | 78 Ų | 78 | 107.2 Ų | 107.2 | 47% | 0.473 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.4 | -49.8 | 173.3 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | E261 S262 Q263 L267 K268 E269 | E261-V265 WeakPolarHBondContact O-CG2 3.09Å; E261-V265 PolarHBondContact O-N 3.46Å; S262-V265 PolarHBondContact O-N 2.78Å; Q263-V265 VanDerWaalsContact C-N 3.35Å; V265-L267 VanDerWaalsContact C-N 3.31Å; V265-L267 PolarHBondContact O-N 2.84Å; V265-K268 CarbonylContact O-C 3.58Å; V265-K268 PolarHBondContact O-N 3.44Å; V265-K268 VanDerWaalsContact O-N 3.17Å; V265-E269 HydrophobicContact CG1-CG 4.25Å; V265-E269 WeakPolarHBondContact CG1-OE1 3.42Å; V265-E269 WeakPolarHBondContact O-CB 3.33Å; V265-E269 WeakPolarHBondContact O-CG 3.47Å; V265-E269 PolarHBondContact O-N 3.49Å |
| 266 | L | 92 | Very high | 91.9 | Very high | 84 Ų | 84 | 107.4 Ų | 107.4 | 44% | 0.44 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.2 | -32.5 | 178 | -76 | 167.5 | 0 | 0 | 0 | 113.6 | S262 Q263 R270 | S262-L266 WeakPolarHBondContact O-CB 3.48Å; S262-L266 VanDerWaalsContact O-CG 3.29Å; S262-L266 WeakPolarHBondContact O-CG 3.14Å; S262-L266 PolarHBondContact O-N 2.89Å; Q263-L266 PolarHBondContact O-N 2.95Å; L266-R270 VanDerWaalsContact O-CD 3.29Å; L266-R270 WeakPolarHBondContact O-CD 3.23Å; L266-R270 WeakPolarHBondContact O-CG 3.46Å; L266-R270 PolarHBondContact O-N 2.92Å |
| 267 | L | 92.6 | Very high | 92.3 | Very high | 94 Ų | 94 | 101.4 Ų | 101.4 | 49% | 0.492 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.4 | -48 | 172.1 | -75.4 | 170.6 | 0 | 0 | 0 | 110.6 | Q263 K264 V265 E269 R270 E271 | Q263-L267 WeakPolarHBondContact O-CB 3.35Å; Q263-L267 VanDerWaalsContact O-CG 3.31Å; Q263-L267 WeakPolarHBondContact O-CG 3.4Å; Q263-L267 PolarHBondContact O-N 3.11Å; K264-L267 PolarHBondContact O-N 2.74Å; V265-L267 VanDerWaalsContact C-N 3.31Å; V265-L267 PolarHBondContact O-N 2.84Å; L267-E269 PolarHBondContact O-N 3.49Å; L267-R270 WeakPolarHBondContact O-CB 3.49Å; L267-R270 PolarHBondContact O-N 2.96Å; L267-R270 VanDerWaalsContact O-N 3.1Å; L267-E271 WeakPolarHBondContact O-CG 3.25Å; L267-E271 PolarHBondContact O-N 3.43Å |
| 268 | K | 93.9 | Very high | 92.7 | Very high | 123 Ų | 123 | 103 Ų | 103 | 54% | 0.535 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 175.7 | -174.4 | -179.9 | 173.8 | -173.9 | 0 | 112.1 | K264 V265 R270 E271 D272 | K264-K268 WeakPolarHBondContact O-CB 3.26Å; K264-K268 PolarHBondContact O-N 2.91Å; V265-K268 CarbonylContact O-C 3.58Å; V265-K268 PolarHBondContact O-N 3.44Å; V265-K268 VanDerWaalsContact O-N 3.17Å; K268-R270 PolarHBondContact O-N 2.89Å; K268-E271 CarbonylContact O-C 3.6Å; K268-E271 PolarHBondContact O-N 3.45Å; K268-E271 VanDerWaalsContact O-N 3.1Å; K268-D272 VanDerWaalsContact CE-OD2 3.27Å; K268-D272 WeakPolarHBondContact CE-OD2 3.3Å; K268-D272 WeakPolarHBondContact O-CB 3.42Å; K268-D272 PolarHBondContact O-N 3.31Å |
| 269 | E | 93.3 | Very high | 93.1 | Very high | 110 Ų | 110 | 97.8 Ų | 97.8 | 51% | 0.514 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.6 | -32.3 | 175.2 | -75.3 | 176.1 | 176 | 0 | 0 | 112.4 | V265 L267 K273 | V265-E269 HydrophobicContact CG1-CG 4.25Å; V265-E269 WeakPolarHBondContact CG1-OE1 3.42Å; V265-E269 WeakPolarHBondContact O-CB 3.33Å; V265-E269 WeakPolarHBondContact O-CG 3.47Å; V265-E269 PolarHBondContact O-N 3.49Å; L267-E269 PolarHBondContact O-N 3.49Å; E269-K273 WeakPolarHBondContact O-CB 3.46Å; E269-K273 PolarHBondContact O-N 3.15Å |
| 270 | R | 93.8 | Very high | 93.4 | Very high | 159 Ų | 159 | 97.7 Ų | 97.7 | 60% | 0.6 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -72.9 | -40.3 | 172.7 | -70.9 | 163.1 | -177.3 | -167.3 | 0.7 | 111.8 | L266 L267 K268 K273 L274 | L266-R270 VanDerWaalsContact O-CD 3.29Å; L266-R270 WeakPolarHBondContact O-CD 3.23Å; L266-R270 WeakPolarHBondContact O-CG 3.46Å; L266-R270 PolarHBondContact O-N 2.92Å; L267-R270 WeakPolarHBondContact O-CB 3.49Å; L267-R270 PolarHBondContact O-N 2.96Å; L267-R270 VanDerWaalsContact O-N 3.1Å; K268-R270 PolarHBondContact O-N 2.89Å; R270-K273 PolarHBondContact O-N 2.99Å; R270-L274 WeakPolarHBondContact O-CB 3.44Å; R270-L274 VanDerWaalsContact O-CG 3.26Å; R270-L274 WeakPolarHBondContact O-CG 3.29Å; R270-L274 PolarHBondContact O-N 3.24Å |
| 271 | E | 94.3 | Very high | 93.8 | Very high | 127 Ų | 127 | 100 Ų | 100 | 59% | 0.593 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.1 | -48.2 | 175.6 | -70.8 | 170.9 | 177.5 | 0 | 0 | 111.3 | L267 K268 L274 A275 | L267-E271 WeakPolarHBondContact O-CG 3.25Å; L267-E271 PolarHBondContact O-N 3.43Å; K268-E271 CarbonylContact O-C 3.6Å; K268-E271 PolarHBondContact O-N 3.45Å; K268-E271 VanDerWaalsContact O-N 3.1Å; E271-L274 CarbonylContact O-C 3.56Å; E271-L274 PolarHBondContact O-N 2.78Å; E271-A275 WeakPolarHBondContact O-CB 3.41Å; E271-A275 PolarHBondContact O-N 2.88Å |
| 272 | D | 94.5 | Very high | 94 | Very high | 80 Ų | 80 | 100.2 Ų | 100.2 | 43% | 0.428 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61 | -43 | 174.3 | -73.6 | -24.2 | 0 | 0 | 0 | 110.6 | K268 L274 A275 L276 | K268-D272 VanDerWaalsContact CE-OD2 3.27Å; K268-D272 WeakPolarHBondContact CE-OD2 3.3Å; K268-D272 WeakPolarHBondContact O-CB 3.42Å; K268-D272 PolarHBondContact O-N 3.31Å; D272-L274 PolarHBondContact O-N 2.87Å; D272-A275 PolarHBondContact O-N 3.33Å; D272-L276 WeakPolarHBondContact O-CB 3.23Å; D272-L276 VanDerWaalsContact O-CG 3.3Å; D272-L276 WeakPolarHBondContact O-CG 3.36Å; D272-L276 PolarHBondContact O-N 3.47Å |
| 273 | K | 95.4 | Very high | 94.4 | Very high | 142 Ų | 142 | 102.9 Ų | 102.9 | 62% | 0.617 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.4 | -44.3 | 172.7 | -179.6 | 178.2 | 178.4 | -179.6 | 0 | 112 | E269 R270 A275 L276 S277 | E269-K273 WeakPolarHBondContact O-CB 3.46Å; E269-K273 PolarHBondContact O-N 3.15Å; R270-K273 PolarHBondContact O-N 2.99Å; K273-A275 VanDerWaalsContact C-N 3.32Å; K273-L276 PolarHBondContact O-N 3.38Å; K273-S277 PolarHBondContact O-N 2.76Å; K273-S277 PolarHBondContact O-OG 2.95Å |
| 274 | L | 95.3 | Very high | 94.5 | Very high | 94 Ų | 94 | 103.9 Ų | 103.9 | 49% | 0.492 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69 | -29.7 | 177 | -72.7 | 170 | 0 | 0 | 0 | 112.2 | R270 E271 D272 R278 | R270-L274 WeakPolarHBondContact O-CB 3.44Å; R270-L274 VanDerWaalsContact O-CG 3.26Å; R270-L274 WeakPolarHBondContact O-CG 3.29Å; R270-L274 PolarHBondContact O-N 3.24Å; E271-L274 CarbonylContact O-C 3.56Å; E271-L274 PolarHBondContact O-N 2.78Å; D272-L274 PolarHBondContact O-N 2.87Å; L274-R278 VanDerWaalsContact C-NH1 3.34Å; L274-R278 WeakPolarHBondContact O-CB 3.41Å; L274-R278 VanDerWaalsContact O-CG 3.24Å; L274-R278 WeakPolarHBondContact O-CG 3.49Å; L274-R278 PolarHBondContact O-N 3.4Å; L274-R278 PolarHBondContact O-NH1 3.16Å; L274-R278 VanDerWaalsContact O-NH1 3.12Å |
| 275 | A | 95 | Very high | 94.7 | Very high | 40 Ų | 40 | 98.6 Ų | 98.6 | 33% | 0.331 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.5 | -43 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | E271 D272 K273 R278 N279 | E271-A275 WeakPolarHBondContact O-CB 3.41Å; E271-A275 PolarHBondContact O-N 2.88Å; D272-A275 PolarHBondContact O-N 3.33Å; K273-A275 VanDerWaalsContact C-N 3.32Å; A275-R278 PolarHBondContact O-N 2.85Å; A275-N279 WeakPolarHBondContact O-CB 3.47Å; A275-N279 PolarHBondContact O-N 3.38Å; A275-N279 PolarHBondContact O-ND2 2.84Å |
| 276 | L | 95.1 | Very high | 94.9 | Very high | 112 Ų | 112 | 99.3 Ų | 99.3 | 59% | 0.586 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.7 | -45.7 | 175 | -72.3 | 169.9 | 0 | 0 | 0 | 112 | D272 K273 R278 N279 I280 | D272-L276 WeakPolarHBondContact O-CB 3.23Å; D272-L276 VanDerWaalsContact O-CG 3.3Å; D272-L276 WeakPolarHBondContact O-CG 3.36Å; D272-L276 PolarHBondContact O-N 3.47Å; K273-L276 PolarHBondContact O-N 3.38Å; L276-R278 PolarHBondContact O-N 3.01Å; L276-N279 CarbonylContact O-C 3.57Å; L276-N279 PolarHBondContact O-N 2.86Å; L276-N279 VanDerWaalsContact O-N 3.11Å; L276-I280 WeakPolarHBondContact O-CG1 3.34Å; L276-I280 PolarHBondContact O-N 3.42Å |
| 277 | S | 94.5 | Very high | 95 | Very high | 43 Ų | 43 | 99.8 Ų | 99.8 | 30% | 0.301 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.6 | -49.5 | 174.4 | -71.4 | 0 | 0 | 0 | 0 | 111.9 | K273 N279 I280 E281 | K273-S277 PolarHBondContact O-N 2.76Å; K273-S277 PolarHBondContact O-OG 2.95Å; S277-N279 PolarHBondContact O-N 2.77Å; S277-I280 PolarHBondContact O-N 3.5Å; S277-I280 VanDerWaalsContact O-N 3.13Å; S277-E281 VanDerWaalsContact O-CG 3.31Å; S277-E281 WeakPolarHBondContact O-CG 3.38Å; S277-E281 PolarHBondContact O-N 3.33Å |
| 278 | R | 95.4 | Very high | 95.2 | Very high | 132 Ų | 132 | 98 Ų | 98 | 50% | 0.498 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63 | -26 | 176 | -68.9 | 177.6 | -159.4 | 112.1 | -10.4 | 113.6 | L274 A275 L276 K282 | L274-R278 VanDerWaalsContact C-NH1 3.34Å; L274-R278 WeakPolarHBondContact O-CB 3.41Å; L274-R278 VanDerWaalsContact O-CG 3.24Å; L274-R278 WeakPolarHBondContact O-CG 3.49Å; L274-R278 PolarHBondContact O-N 3.4Å; L274-R278 PolarHBondContact O-NH1 3.16Å; L274-R278 VanDerWaalsContact O-NH1 3.12Å; A275-R278 PolarHBondContact O-N 2.85Å; L276-R278 PolarHBondContact O-N 3.01Å; R278-K282 WeakPolarHBondContact O-CD 3.39Å; R278-K282 WeakPolarHBondContact O-CG 3.33Å; R278-K282 PolarHBondContact O-N 3.44Å |
| 279 | N | 96.3 | Very high | 95.3 | Very high | 73 Ų | 73 | 97.2 Ų | 97.2 | 39% | 0.39 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -82.1 | -33.3 | 175.3 | -72.1 | -14.4 | 0 | 0 | 0 | 111.9 | A275 L276 S277 K282 L283 | A275-N279 WeakPolarHBondContact O-CB 3.47Å; A275-N279 PolarHBondContact O-N 3.38Å; A275-N279 PolarHBondContact O-ND2 2.84Å; L276-N279 CarbonylContact O-C 3.57Å; L276-N279 PolarHBondContact O-N 2.86Å; L276-N279 VanDerWaalsContact O-N 3.11Å; S277-N279 PolarHBondContact O-N 2.77Å; N279-K282 PolarHBondContact O-N 2.86Å; N279-K282 PolarHBondContact OD1-NZ 2.79Å; N279-L283 WeakPolarHBondContact O-CB 3.39Å; N279-L283 VanDerWaalsContact O-CG 3.24Å; N279-L283 WeakPolarHBondContact O-CG 3.47Å; N279-L283 PolarHBondContact O-N 3.16Å |
| 280 | I | 95.1 | Very high | 95.5 | Very high | 89 Ų | 89 | 99.9 Ų | 99.9 | 46% | 0.456 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.3 | -50 | 169.4 | -69.2 | 163 | 0 | 0 | 0 | 109.6 | L276 S277 K282 L283 E284 | L276-I280 WeakPolarHBondContact O-CG1 3.34Å; L276-I280 PolarHBondContact O-N 3.42Å; S277-I280 PolarHBondContact O-N 3.5Å; S277-I280 VanDerWaalsContact O-N 3.13Å; I280-K282 VanDerWaalsContact C-N 3.28Å; I280-K282 PolarHBondContact O-N 3.49Å; I280-L283 CarbonylContact O-C 3.59Å; I280-L283 PolarHBondContact O-N 2.81Å; I280-E284 HydrophobicContact CG2-CG 4.12Å; I280-E284 WeakPolarHBondContact O-CB 3.32Å; I280-E284 WeakPolarHBondContact O-CG 3.17Å; I280-E284 PolarHBondContact O-N 3.34Å |
| 281 | E | 95.8 | Very high | 95.6 | Very high | 118 Ų | 118 | 98 Ų | 98 | 55% | 0.551 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -54.7 | -41 | 176.6 | -70.9 | 159 | -161.1 | 0 | 0 | 112.4 | S277 G285 | S277-E281 VanDerWaalsContact O-CG 3.31Å; S277-E281 WeakPolarHBondContact O-CG 3.38Å; S277-E281 PolarHBondContact O-N 3.33Å; E281-G285 PolarHBondContact O-N 2.86Å |
| 282 | K | 96.3 | Very high | 95.8 | Very high | 117 Ų | 117 | 96.4 Ų | 96.4 | 51% | 0.509 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.3 | -49.7 | 172.7 | -73.2 | 166.9 | -163.1 | 165 | 0 | 112.2 | R278 N279 I280 E284 G285 E286 | R278-K282 WeakPolarHBondContact O-CD 3.39Å; R278-K282 WeakPolarHBondContact O-CG 3.33Å; R278-K282 PolarHBondContact O-N 3.44Å; N279-K282 PolarHBondContact O-N 2.86Å; N279-K282 PolarHBondContact OD1-NZ 2.79Å; I280-K282 VanDerWaalsContact C-N 3.28Å; I280-K282 PolarHBondContact O-N 3.49Å; K282-E284 VanDerWaalsContact C-N 3.31Å; K282-E284 PolarHBondContact O-N 2.82Å; K282-G285 CarbonylContact O-C 3.57Å; K282-G285 WeakPolarHBondContact O-CA 3.23Å; K282-G285 PolarHBondContact O-N 3.09Å; K282-G285 VanDerWaalsContact O-N 3.15Å; K282-E286 WeakPolarHBondContact O-CB 3.38Å; K282-E286 WeakPolarHBondContact O-CG 3.38Å; K282-E286 PolarHBondContact O-N 2.87Å |
| 283 | L | 95.3 | Very high | 95.9 | Very high | 109 Ų | 109 | 97 Ų | 97 | 57% | 0.571 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.4 | -34.9 | -179.1 | -71.8 | 168.5 | 0 | 0 | 0 | 112 | N279 I280 L287 | N279-L283 WeakPolarHBondContact O-CB 3.39Å; N279-L283 VanDerWaalsContact O-CG 3.24Å; N279-L283 WeakPolarHBondContact O-CG 3.47Å; N279-L283 PolarHBondContact O-N 3.16Å; I280-L283 CarbonylContact O-C 3.59Å; I280-L283 PolarHBondContact O-N 2.81Å; L283-L287 WeakPolarHBondContact O-CB 3.38Å; L283-L287 PolarHBondContact O-N 3.06Å |
| 284 | E | 95.6 | Very high | 96 | Very high | 116 Ų | 116 | 98.1 Ų | 98.1 | 54% | 0.542 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.7 | -40.2 | 172.2 | -71.9 | 176.3 | 157.2 | 0 | 0 | 111.6 | I280 K282 S288 | I280-E284 HydrophobicContact CG2-CG 4.12Å; I280-E284 WeakPolarHBondContact O-CB 3.32Å; I280-E284 WeakPolarHBondContact O-CG 3.17Å; I280-E284 PolarHBondContact O-N 3.34Å; K282-E284 VanDerWaalsContact C-N 3.31Å; K282-E284 PolarHBondContact O-N 2.82Å; E284-S288 VanDerWaalsContact O-CB 3.29Å; E284-S288 WeakPolarHBondContact O-CB 3.22Å; E284-S288 PolarHBondContact O-N 3.5Å; E284-S288 PolarHBondContact O-OG 2.86Å |
| 285 | G | 96.4 | Very high | 96.1 | Very high | 31 Ų | 31 | 98.3 Ų | 98.3 | 32% | 0.32 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | E281 K282 S288 Q289 | E281-G285 PolarHBondContact O-N 2.86Å; K282-G285 CarbonylContact O-C 3.57Å; K282-G285 WeakPolarHBondContact O-CA 3.23Å; K282-G285 PolarHBondContact O-N 3.09Å; K282-G285 VanDerWaalsContact O-N 3.15Å; G285-S288 PolarHBondContact O-N 2.9Å; G285-Q289 WeakPolarHBondContact O-CG 3.4Å; G285-Q289 PolarHBondContact O-N 2.85Å |
| 286 | E | 96.2 | Very high | 96.1 | Very high | 93 Ų | 93 | 101.2 Ų | 101.2 | 44% | 0.435 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 175.2 | -74 | 171.5 | -154.2 | 0 | 0 | 111.3 | K282 S288 Q289 W290 | K282-E286 WeakPolarHBondContact O-CB 3.38Å; K282-E286 WeakPolarHBondContact O-CG 3.38Å; K282-E286 PolarHBondContact O-N 2.87Å; E286-S288 VanDerWaalsContact C-N 3.27Å; E286-S288 PolarHBondContact O-N 3.49Å; E286-Q289 WeakPolarHBondContact O-CB 3.25Å; E286-Q289 PolarHBondContact O-N 3.28Å; E286-W290 PolarHBondContact O-N 3.4Å |
| 287 | L | 95.6 | Very high | 96.2 | Very high | 93 Ų | 93 | 101.7 Ų | 101.7 | 49% | 0.487 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.2 | -34.9 | 176.6 | -178.4 | 149 | 0 | 0 | 0 | 111.8 | L283 W290 K291 | L283-L287 WeakPolarHBondContact O-CB 3.38Å; L283-L287 PolarHBondContact O-N 3.06Å; L287-W290 PolarHBondContact O-N 3.34Å; L287-K291 HydrophobicContact CD2-CD 4.05Å; L287-K291 VanDerWaalsContact CD2-CE 3.46Å; L287-K291 WeakPolarHBondContact O-CG 3.34Å; L287-K291 PolarHBondContact O-N 3.34Å |
| 288 | S | 95.9 | Very high | 96.3 | Very high | 58 Ų | 58 | 101.5 Ų | 101.5 | 41% | 0.406 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.8 | -41.3 | 173.5 | -58.9 | 0 | 0 | 0 | 0 | 112 | E284 G285 E286 W290 K291 I292 | E284-S288 VanDerWaalsContact O-CB 3.29Å; E284-S288 WeakPolarHBondContact O-CB 3.22Å; E284-S288 PolarHBondContact O-N 3.5Å; E284-S288 PolarHBondContact O-OG 2.86Å; G285-S288 PolarHBondContact O-N 2.9Å; E286-S288 VanDerWaalsContact C-N 3.27Å; E286-S288 PolarHBondContact O-N 3.49Å; S288-W290 VanDerWaalsContact C-N 3.34Å; S288-W290 PolarHBondContact O-N 3.46Å; S288-K291 PolarHBondContact O-N 3Å; S288-I292 WeakPolarHBondContact O-CG1 3.41Å; S288-I292 PolarHBondContact O-N 2.93Å; S288-I292 VanDerWaalsContact O-N 3.09Å |
| 289 | Q | 96.9 | Very high | 96.5 | Very high | 105 Ų | 105 | 100.3 Ų | 100.3 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 171.8 | -69.9 | 171.6 | 38.5 | 0 | 0 | 112.2 | G285 E286 I292 K293 | G285-Q289 WeakPolarHBondContact O-CG 3.4Å; G285-Q289 PolarHBondContact O-N 2.85Å; E286-Q289 WeakPolarHBondContact O-CB 3.25Å; E286-Q289 PolarHBondContact O-N 3.28Å; Q289-I292 PolarHBondContact O-N 2.86Å; Q289-K293 WeakPolarHBondContact O-CB 3.43Å; Q289-K293 WeakPolarHBondContact O-CD 3.42Å; Q289-K293 VanDerWaalsContact O-CG 3.23Å; Q289-K293 WeakPolarHBondContact O-CG 3.35Å; Q289-K293 PolarHBondContact O-N 3.33Å |
| 290 | W | 96.8 | Very high | 96.5 | Very high | 167 Ų | 167 | 100.1 Ų | 100.1 | 63% | 0.633 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -68.1 | -35 | 176.9 | -76 | 119.6 | 0 | 0 | 0 | 112.7 | E286 L287 S288 K293 Y294 | E286-W290 PolarHBondContact O-N 3.4Å; L287-W290 PolarHBondContact O-N 3.34Å; S288-W290 VanDerWaalsContact C-N 3.34Å; S288-W290 PolarHBondContact O-N 3.46Å; W290-K293 HydrophobicContact CD2-CD 4.46Å; W290-K293 HydrophobicContact CE3-CD 3.87Å; W290-K293 HydrophobicContact CZ3-CD 4.07Å; W290-Y294 WeakPolarHBondContact O-CB 3.37Å; W290-Y294 PolarHBondContact O-N 2.99Å |
| 291 | K | 96.8 | Very high | 96.6 | Very high | 120 Ų | 120 | 102.6 Ų | 102.6 | 52% | 0.522 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.6 | -51.1 | 169.6 | -76.2 | 169.7 | 175.9 | 171.3 | 0 | 111.7 | L287 S288 K293 Y294 E295 | L287-K291 HydrophobicContact CD2-CD 4.05Å; L287-K291 VanDerWaalsContact CD2-CE 3.46Å; L287-K291 WeakPolarHBondContact O-CG 3.34Å; L287-K291 PolarHBondContact O-N 3.34Å; S288-K291 PolarHBondContact O-N 3Å; K291-K293 PolarHBondContact O-N 2.88Å; K291-Y294 WeakPolarHBondContact O-CB 3.35Å; K291-Y294 PolarHBondContact O-N 3.24Å; K291-Y294 VanDerWaalsContact O-N 3.1Å; K291-E295 WeakPolarHBondContact O-CG 3.2Å; K291-E295 PolarHBondContact O-N 3.36Å |
| 292 | I | 97.1 | Very high | 96.7 | Very high | 92 Ų | 92 | 101.9 Ų | 101.9 | 47% | 0.472 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.7 | -49.4 | 179 | -66.7 | 165.2 | 0 | 0 | 0 | 110.5 | S288 Q289 Y294 E295 E296 | S288-I292 WeakPolarHBondContact O-CG1 3.41Å; S288-I292 PolarHBondContact O-N 2.93Å; S288-I292 VanDerWaalsContact O-N 3.09Å; Q289-I292 PolarHBondContact O-N 2.86Å; I292-Y294 VanDerWaalsContact C-N 3.29Å; I292-Y294 PolarHBondContact O-N 2.84Å; I292-E295 PolarHBondContact O-N 3.26Å; I292-E295 VanDerWaalsContact O-N 3.12Å; I292-E296 HydrophobicContact CG2-CG 4.35Å; I292-E296 WeakPolarHBondContact CG2-OE1 3.41Å; I292-E296 VanDerWaalsContact O-CG 3.32Å; I292-E296 WeakPolarHBondContact O-CG 3.48Å; I292-E296 PolarHBondContact O-N 2.9Å |
| 293 | K | 97.3 | Very high | 96.7 | Very high | 92 Ų | 92 | 101 Ų | 101 | 40% | 0.4 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.2 | -38 | 175.9 | -70.9 | 165 | -173.3 | 168.4 | 0 | 112.9 | Q289 W290 K291 L297 | Q289-K293 WeakPolarHBondContact O-CB 3.43Å; Q289-K293 WeakPolarHBondContact O-CD 3.42Å; Q289-K293 VanDerWaalsContact O-CG 3.23Å; Q289-K293 WeakPolarHBondContact O-CG 3.35Å; Q289-K293 PolarHBondContact O-N 3.33Å; W290-K293 HydrophobicContact CD2-CD 4.46Å; W290-K293 HydrophobicContact CE3-CD 3.87Å; W290-K293 HydrophobicContact CZ3-CD 4.07Å; K291-K293 PolarHBondContact O-N 2.88Å; K293-L297 VanDerWaalsContact O-CB 3.26Å; K293-L297 WeakPolarHBondContact O-CB 3.44Å; K293-L297 PolarHBondContact O-N 2.84Å |
| 294 | Y | 96.9 | Very high | 96.8 | Very high | 166 Ų | 166 | 101.5 Ų | 101.5 | 65% | 0.651 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -69.4 | -39.9 | 176 | 176.3 | -94.9 | 0 | 0 | 0 | 112.1 | W290 K291 I292 L297 S298 | W290-Y294 WeakPolarHBondContact O-CB 3.37Å; W290-Y294 PolarHBondContact O-N 2.99Å; K291-Y294 WeakPolarHBondContact O-CB 3.35Å; K291-Y294 PolarHBondContact O-N 3.24Å; K291-Y294 VanDerWaalsContact O-N 3.1Å; I292-Y294 VanDerWaalsContact C-N 3.29Å; I292-Y294 PolarHBondContact O-N 2.84Å; Y294-L297 PolarHBondContact O-N 2.66Å; Y294-S298 VanDerWaalsContact O-CB 3.27Å; Y294-S298 WeakPolarHBondContact O-CB 3.41Å; Y294-S298 PolarHBondContact O-N 3.45Å |
| 295 | E | 97 | Very high | 96.8 | Very high | 98 Ų | 98 | 100.7 Ų | 100.7 | 46% | 0.458 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 175 | -71.5 | 174.3 | -146.3 | 0 | 0 | 112.1 | K291 I292 S298 K299 | K291-E295 WeakPolarHBondContact O-CG 3.2Å; K291-E295 PolarHBondContact O-N 3.36Å; I292-E295 PolarHBondContact O-N 3.26Å; I292-E295 VanDerWaalsContact O-N 3.12Å; E295-S298 PolarHBondContact O-N 2.77Å; E295-K299 WeakPolarHBondContact O-CB 3.49Å; E295-K299 WeakPolarHBondContact O-CD 3.39Å; E295-K299 VanDerWaalsContact O-CG 3.25Å; E295-K299 WeakPolarHBondContact O-CG 3.26Å; E295-K299 PolarHBondContact O-N 3Å; E295-K299 IonicContact OE2-NZ 2.7Å |
| 296 | E | 96.8 | Very high | 96.9 | Very high | 102 Ų | 102 | 105.6 Ų | 105.6 | 48% | 0.477 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 172.8 | -71 | 167.8 | 165.7 | 0 | 0 | 111.6 | I292 S298 K299 T300 | I292-E296 HydrophobicContact CG2-CG 4.35Å; I292-E296 WeakPolarHBondContact CG2-OE1 3.41Å; I292-E296 VanDerWaalsContact O-CG 3.32Å; I292-E296 WeakPolarHBondContact O-CG 3.48Å; I292-E296 PolarHBondContact O-N 2.9Å; E296-S298 VanDerWaalsContact C-N 3.29Å; E296-S298 PolarHBondContact O-N 3.46Å; E296-K299 PolarHBondContact O-N 2.86Å; E296-T300 WeakPolarHBondContact O-CB 3.44Å; E296-T300 WeakPolarHBondContact O-CG2 3.37Å; E296-T300 PolarHBondContact O-N 3.15Å; E296-T300 PolarHBondContact O-OG1 2.91Å |
| 297 | L | 96.7 | Very high | 96.9 | Very high | 121 Ų | 121 | 106.8 Ų | 106.8 | 63% | 0.634 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.8 | -35.6 | 174.2 | -168.4 | 75.2 | 0 | 0 | 0 | 111.9 | K293 Y294 T300 K301 | K293-L297 VanDerWaalsContact O-CB 3.26Å; K293-L297 WeakPolarHBondContact O-CB 3.44Å; K293-L297 PolarHBondContact O-N 2.84Å; Y294-L297 PolarHBondContact O-N 2.66Å; L297-T300 WeakPolarHBondContact CA-OG1 3.46Å; L297-T300 PolarHBondContact O-OG1 3.38Å; L297-K301 WeakPolarHBondContact O-CB 3.14Å; L297-K301 PolarHBondContact O-N 3.22Å |
| 298 | S | 97.3 | Very high | 97 | Very high | 39 Ų | 39 | 106.3 Ų | 106.3 | 27% | 0.273 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.3 | -43.8 | 176.7 | -169.7 | 0 | 0 | 0 | 0 | 111.9 | Y294 E295 E296 K301 Q302 | Y294-S298 VanDerWaalsContact O-CB 3.27Å; Y294-S298 WeakPolarHBondContact O-CB 3.41Å; Y294-S298 PolarHBondContact O-N 3.45Å; E295-S298 PolarHBondContact O-N 2.77Å; E296-S298 VanDerWaalsContact C-N 3.29Å; E296-S298 PolarHBondContact O-N 3.46Å; S298-K301 PolarHBondContact O-N 2.84Å; S298-Q302 VanDerWaalsContact O-CG 3.31Å; S298-Q302 WeakPolarHBondContact O-CG 3.25Å; S298-Q302 PolarHBondContact O-N 2.87Å |
| 299 | K | 97.8 | Very high | 97 | Very high | 107 Ų | 107 | 106.8 Ų | 106.8 | 47% | 0.465 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.2 | -53.3 | 175.6 | -72.6 | 161.6 | -171.5 | 163.1 | 0 | 111.2 | E295 E296 K301 Q302 E303 | E295-K299 WeakPolarHBondContact O-CB 3.49Å; E295-K299 WeakPolarHBondContact O-CD 3.39Å; E295-K299 VanDerWaalsContact O-CG 3.25Å; E295-K299 WeakPolarHBondContact O-CG 3.26Å; E295-K299 PolarHBondContact O-N 3Å; E295-K299 IonicContact OE2-NZ 2.7Å; E296-K299 PolarHBondContact O-N 2.86Å; K299-K301 VanDerWaalsContact C-N 3.31Å; K299-K301 PolarHBondContact O-N 3.23Å; K299-Q302 CarbonylContact O-C 3.59Å; K299-Q302 WeakPolarHBondContact O-CA 3.32Å; K299-Q302 WeakPolarHBondContact O-CB 3.24Å; K299-Q302 PolarHBondContact O-N 3.48Å; K299-E303 WeakPolarHBondContact O-CG 3.33Å; K299-E303 PolarHBondContact O-N 3.09Å |
| 300 | T | 96.7 | Very high | 97.1 | Very high | 69 Ų | 69 | 107 Ų | 107 | 42% | 0.423 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.2 | -38.5 | 177.2 | 50.8 | 0 | 0 | 0 | 0 | 112.3 | E296 L297 Q302 E303 M304 | E296-T300 WeakPolarHBondContact O-CB 3.44Å; E296-T300 WeakPolarHBondContact O-CG2 3.37Å; E296-T300 PolarHBondContact O-N 3.15Å; E296-T300 PolarHBondContact O-OG1 2.91Å; L297-T300 WeakPolarHBondContact CA-OG1 3.46Å; L297-T300 PolarHBondContact O-OG1 3.38Å; T300-Q302 PolarHBondContact O-N 3.35Å; T300-E303 PolarHBondContact O-N 3.47Å; T300-M304 WeakPolarHBondContact O-CB 3.44Å; T300-M304 WeakPolarHBondContact O-CG 3.47Å; T300-M304 PolarHBondContact O-N 3.36Å |
| 301 | K | 97.6 | Very high | 97.1 | Very high | 141 Ų | 141 | 103.4 Ų | 103.4 | 61% | 0.613 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.2 | -43.5 | 170.8 | 178.4 | -177 | 174.5 | -174.8 | 0 | 112.5 | L297 S298 K299 L305 | L297-K301 WeakPolarHBondContact O-CB 3.14Å; L297-K301 PolarHBondContact O-N 3.22Å; S298-K301 PolarHBondContact O-N 2.84Å; K299-K301 VanDerWaalsContact C-N 3.31Å; K299-K301 PolarHBondContact O-N 3.23Å; K301-L305 HydrophobicContact CG-CD1 4.21Å; K301-L305 WeakPolarHBondContact O-CB 3.4Å; K301-L305 VanDerWaalsContact O-CG 3.28Å; K301-L305 WeakPolarHBondContact O-CG 3.48Å; K301-L305 PolarHBondContact O-N 2.94Å |
| 302 | Q | 97.4 | Very high | 97.1 | Very high | 103 Ų | 103 | 103.9 Ų | 103.9 | 48% | 0.481 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.5 | -38.3 | 177.3 | -71.5 | 175.4 | 23.1 | 0 | 0 | 112.1 | S298 K299 T300 L305 K306 | S298-Q302 VanDerWaalsContact O-CG 3.31Å; S298-Q302 WeakPolarHBondContact O-CG 3.25Å; S298-Q302 PolarHBondContact O-N 2.87Å; K299-Q302 CarbonylContact O-C 3.59Å; K299-Q302 WeakPolarHBondContact O-CA 3.32Å; K299-Q302 WeakPolarHBondContact O-CB 3.24Å; K299-Q302 PolarHBondContact O-N 3.48Å; T300-Q302 PolarHBondContact O-N 3.35Å; Q302-L305 PolarHBondContact O-N 3.31Å; Q302-K306 WeakPolarHBondContact O-CG 3.39Å; Q302-K306 PolarHBondContact O-N 3.36Å |
| 303 | E | 96.4 | Very high | 97.1 | Very high | 98 Ų | 98 | 105.2 Ų | 105.2 | 46% | 0.458 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.3 | -47.3 | 175.6 | -71.8 | 156 | -165.1 | 0 | 0 | 111.4 | K299 T300 L305 K306 Q307 | K299-E303 WeakPolarHBondContact O-CG 3.33Å; K299-E303 PolarHBondContact O-N 3.09Å; T300-E303 PolarHBondContact O-N 3.47Å; E303-L305 VanDerWaalsContact C-N 3.3Å; E303-L305 PolarHBondContact O-N 2.85Å; E303-K306 PolarHBondContact O-N 3Å; E303-K306 VanDerWaalsContact O-N 3.17Å; E303-Q307 WeakPolarHBondContact O-CG 3.23Å; E303-Q307 PolarHBondContact O-N 3.45Å |
| 304 | M | 96.8 | Very high | 97.1 | Very high | 121 Ų | 121 | 102.8 Ų | 102.8 | 60% | 0.596 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.9 | -35.6 | 174.6 | -67.8 | -65.8 | -68.5 | 0 | 0 | 112.2 | T300 L308 | T300-M304 WeakPolarHBondContact O-CB 3.44Å; T300-M304 WeakPolarHBondContact O-CG 3.47Å; T300-M304 PolarHBondContact O-N 3.36Å; M304-L308 VanDerWaalsContact O-CB 3.27Å; M304-L308 WeakPolarHBondContact O-CB 3.37Å; M304-L308 PolarHBondContact O-N 3.06Å |
| 305 | L | 97.4 | Very high | 97.1 | Very high | 99 Ų | 99 | 99.2 Ų | 99.2 | 52% | 0.518 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.1 | -38.5 | 173.8 | -75.5 | 169.9 | 0 | 0 | 0 | 112.5 | K301 Q302 E303 L308 S309 | K301-L305 HydrophobicContact CG-CD1 4.21Å; K301-L305 WeakPolarHBondContact O-CB 3.4Å; K301-L305 VanDerWaalsContact O-CG 3.28Å; K301-L305 WeakPolarHBondContact O-CG 3.48Å; K301-L305 PolarHBondContact O-N 2.94Å; Q302-L305 PolarHBondContact O-N 3.31Å; E303-L305 VanDerWaalsContact C-N 3.3Å; E303-L305 PolarHBondContact O-N 2.85Å; L305-L308 PolarHBondContact O-N 3.15Å; L305-S309 PolarHBondContact O-N 3.49Å |
| 306 | K | 97.4 | Very high | 97.1 | Very high | 134 Ų | 134 | 101.4 Ų | 101.4 | 58% | 0.583 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.7 | -46.7 | 173.3 | -73.3 | 171.3 | -178.1 | 179.8 | 0 | 111.4 | Q302 E303 L308 S309 I310 | Q302-K306 WeakPolarHBondContact O-CG 3.39Å; Q302-K306 PolarHBondContact O-N 3.36Å; E303-K306 PolarHBondContact O-N 3Å; E303-K306 VanDerWaalsContact O-N 3.17Å; K306-L308 VanDerWaalsContact C-N 3.33Å; K306-L308 PolarHBondContact O-N 3.22Å; K306-S309 WeakPolarHBondContact O-CB 3.27Å; K306-S309 PolarHBondContact O-N 2.94Å; K306-S309 VanDerWaalsContact O-N 3.09Å; K306-I310 WeakPolarHBondContact O-CG1 3.26Å; K306-I310 PolarHBondContact O-N 3.09Å |
| 307 | Q | 97.1 | Very high | 97.2 | Very high | 118 Ų | 118 | 100.8 Ų | 100.8 | 55% | 0.551 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.6 | -43.8 | 174.8 | -71.4 | 173.8 | 5.2 | 0 | 0 | 111.6 | E303 S309 I310 L311 | E303-Q307 WeakPolarHBondContact O-CG 3.23Å; E303-Q307 PolarHBondContact O-N 3.45Å; Q307-S309 VanDerWaalsContact C-N 3.29Å; Q307-S309 PolarHBondContact O-N 2.87Å; Q307-I310 PolarHBondContact O-N 2.98Å; Q307-L311 VanDerWaalsContact O-CB 3.31Å; Q307-L311 WeakPolarHBondContact O-CB 3.45Å; Q307-L311 PolarHBondContact O-N 2.82Å |
| 308 | L | 96.9 | Very high | 97.2 | Very high | 82 Ų | 82 | 99.7 Ų | 99.7 | 43% | 0.429 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.8 | -31.1 | 175.2 | -177.6 | 63 | 0 | 0 | 0 | 112.8 | M304 L305 K306 K312 | M304-L308 VanDerWaalsContact O-CB 3.27Å; M304-L308 WeakPolarHBondContact O-CB 3.37Å; M304-L308 PolarHBondContact O-N 3.06Å; L305-L308 PolarHBondContact O-N 3.15Å; K306-L308 VanDerWaalsContact C-N 3.33Å; K306-L308 PolarHBondContact O-N 3.22Å; L308-K312 WeakPolarHBondContact O-CB 3.32Å; L308-K312 WeakPolarHBondContact O-CD 3.48Å; L308-K312 VanDerWaalsContact O-CG 3.23Å; L308-K312 WeakPolarHBondContact O-CG 3.37Å; L308-K312 PolarHBondContact O-N 3.11Å; L308-K312 VanDerWaalsContact O-N 3.17Å |
| 309 | S | 97.1 | Very high | 97.2 | Very high | 69 Ų | 69 | 102.9 Ų | 102.9 | 48% | 0.483 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.6 | -50.3 | 174.2 | -158 | 0 | 0 | 0 | 0 | 111.2 | L305 K306 Q307 L311 K312 E313 | L305-S309 PolarHBondContact O-N 3.49Å; K306-S309 WeakPolarHBondContact O-CB 3.27Å; K306-S309 PolarHBondContact O-N 2.94Å; K306-S309 VanDerWaalsContact O-N 3.09Å; Q307-S309 VanDerWaalsContact C-N 3.29Å; Q307-S309 PolarHBondContact O-N 2.87Å; S309-L311 VanDerWaalsContact C-N 3.3Å; S309-L311 PolarHBondContact O-N 3.18Å; S309-K312 WeakPolarHBondContact O-CB 3.39Å; S309-K312 PolarHBondContact O-N 3.08Å; S309-K312 VanDerWaalsContact O-N 3.13Å; S309-E313 WeakPolarHBondContact O-CB 3.26Å; S309-E313 PolarHBondContact O-N 3.11Å |
| 310 | I | 97.2 | Very high | 97.2 | Very high | 109 Ų | 109 | 99.3 Ų | 99.3 | 56% | 0.559 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.4 | -40.1 | 178.4 | -64.8 | 162.9 | 0 | 0 | 0 | 110.8 | K306 Q307 E313 A314 | K306-I310 WeakPolarHBondContact O-CG1 3.26Å; K306-I310 PolarHBondContact O-N 3.09Å; Q307-I310 PolarHBondContact O-N 2.98Å; I310-E313 PolarHBondContact O-N 2.88Å; I310-A314 WeakPolarHBondContact O-CB 3.44Å; I310-A314 PolarHBondContact O-N 2.9Å |
| 311 | L | 97.1 | Very high | 97.2 | Very high | 91 Ų | 91 | 103.3 Ų | 103.3 | 48% | 0.476 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.1 | -36 | 177.2 | -174.3 | 63.7 | 0 | 0 | 0 | 112.4 | Q307 S309 H315 | Q307-L311 VanDerWaalsContact O-CB 3.31Å; Q307-L311 WeakPolarHBondContact O-CB 3.45Å; Q307-L311 PolarHBondContact O-N 2.82Å; S309-L311 VanDerWaalsContact C-N 3.3Å; S309-L311 PolarHBondContact O-N 3.18Å; L311-H315 WeakPolarHBondContact CD1-NE2 3.44Å; L311-H315 WeakPolarHBondContact O-CB 3.43Å; L311-H315 PolarHBondContact O-CD2 2.87Å; L311-H315 VanDerWaalsContact O-CG 3.26Å; L311-H315 PolarHBondContact O-N 2.68Å |
| 312 | K | 97.4 | Very high | 97.2 | Very high | 130 Ų | 130 | 101.5 Ų | 101.5 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.4 | -41.7 | 173.7 | -77.6 | 171.3 | 177.2 | -175.3 | 0 | 112.2 | L308 S309 H315 Q316 | L308-K312 WeakPolarHBondContact O-CB 3.32Å; L308-K312 WeakPolarHBondContact O-CD 3.48Å; L308-K312 VanDerWaalsContact O-CG 3.23Å; L308-K312 WeakPolarHBondContact O-CG 3.37Å; L308-K312 PolarHBondContact O-N 3.11Å; L308-K312 VanDerWaalsContact O-N 3.17Å; S309-K312 WeakPolarHBondContact O-CB 3.39Å; S309-K312 PolarHBondContact O-N 3.08Å; S309-K312 VanDerWaalsContact O-N 3.13Å; K312-H315 PolarHBondContact O-N 3.3Å; K312-Q316 VanDerWaalsContact O-CB 3.28Å; K312-Q316 WeakPolarHBondContact O-CB 3.15Å; K312-Q316 PolarHBondContact O-N 3.05Å |
| 313 | E | 97.2 | Very high | 97.2 | Very high | 120 Ų | 120 | 99.5 Ų | 99.5 | 56% | 0.561 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.8 | -49.5 | 177 | -171.7 | 169.7 | -159.2 | 0 | 0 | 110.4 | S309 I310 H315 Q316 D317 | S309-E313 WeakPolarHBondContact O-CB 3.26Å; S309-E313 PolarHBondContact O-N 3.11Å; I310-E313 PolarHBondContact O-N 2.88Å; E313-H315 PolarHBondContact O-N 3.19Å; E313-Q316 WeakPolarHBondContact O-CB 3.41Å; E313-Q316 PolarHBondContact O-N 3Å; E313-D317 PolarHBondContact O-N 3.19Å |
| 314 | A | 96.8 | Very high | 97.2 | Very high | 41 Ų | 41 | 101.1 Ų | 101.1 | 34% | 0.339 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.9 | -45.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I310 Q316 D317 E318 | I310-A314 WeakPolarHBondContact O-CB 3.44Å; I310-A314 PolarHBondContact O-N 2.9Å; A314-Q316 VanDerWaalsContact C-N 3.3Å; A314-Q316 PolarHBondContact O-N 3.46Å; A314-D317 PolarHBondContact O-N 2.93Å; A314-E318 WeakPolarHBondContact O-CB 3.48Å; A314-E318 VanDerWaalsContact O-CG 3.26Å; A314-E318 WeakPolarHBondContact O-CG 3.18Å; A314-E318 PolarHBondContact O-N 3.29Å |
| 315 | H | 96.9 | Very high | 97.3 | Very high | 92 Ų | 92 | 100.5 Ų | 100.5 | 43% | 0.426 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.7 | -28 | 175.3 | -71.4 | -33.2 | 0 | 0 | 0 | 113.3 | L311 K312 E313 E318 L319 | L311-H315 WeakPolarHBondContact CD1-NE2 3.44Å; L311-H315 WeakPolarHBondContact O-CB 3.43Å; L311-H315 PolarHBondContact O-CD2 2.87Å; L311-H315 VanDerWaalsContact O-CG 3.26Å; L311-H315 PolarHBondContact O-N 2.68Å; K312-H315 PolarHBondContact O-N 3.3Å; E313-H315 PolarHBondContact O-N 3.19Å; H315-E318 IonicContact CE1-OE2 3.8Å; H315-E318 IonicContact CG-OE2 3.38Å; H315-E318 IonicContact ND1-OE2 2.75Å; H315-E318 PolarHBondContact ND1-OE2 2.72Å; H315-L319 WeakPolarHBondContact O-CB 3.22Å; H315-L319 WeakPolarHBondContact O-CD1 3.45Å; H315-L319 WeakPolarHBondContact O-CG 3.29Å; H315-L319 PolarHBondContact O-N 3.46Å |
| 316 | Q | 97.4 | Very high | 97.3 | Very high | 144 Ų | 144 | 100.7 Ų | 100.7 | 67% | 0.673 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -73.3 | -39.1 | 174.6 | -175.6 | 171.7 | -28.4 | 0 | 0 | 111.2 | K312 E313 A314 L319 G320 | K312-Q316 VanDerWaalsContact O-CB 3.28Å; K312-Q316 WeakPolarHBondContact O-CB 3.15Å; K312-Q316 PolarHBondContact O-N 3.05Å; E313-Q316 WeakPolarHBondContact O-CB 3.41Å; E313-Q316 PolarHBondContact O-N 3Å; A314-Q316 VanDerWaalsContact C-N 3.3Å; A314-Q316 PolarHBondContact O-N 3.46Å; Q316-L319 PolarHBondContact O-N 2.86Å; Q316-G320 PolarHBondContact O-N 3.43Å |
| 317 | D | 97.7 | Very high | 97.2 | Very high | 88 Ų | 88 | 101.2 Ų | 101.2 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 171.1 | -78.6 | 2 | 0 | 0 | 0 | 111.9 | E313 A314 G320 R321 | E313-D317 PolarHBondContact O-N 3.19Å; A314-D317 PolarHBondContact O-N 2.93Å; D317-G320 PolarHBondContact O-N 2.95Å; D317-R321 WeakPolarHBondContact O-CG 3.39Å; D317-R321 PolarHBondContact O-N 2.99Å |
| 318 | E | 97.4 | Very high | 97.3 | Very high | 98 Ų | 98 | 101.8 Ų | 101.8 | 46% | 0.458 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 174.3 | -74.4 | 168.8 | 167.9 | 0 | 0 | 111.5 | A314 H315 G320 M322 | A314-E318 WeakPolarHBondContact O-CB 3.48Å; A314-E318 VanDerWaalsContact O-CG 3.26Å; A314-E318 WeakPolarHBondContact O-CG 3.18Å; A314-E318 PolarHBondContact O-N 3.29Å; H315-E318 IonicContact CE1-OE2 3.8Å; H315-E318 IonicContact CG-OE2 3.38Å; H315-E318 IonicContact ND1-OE2 2.75Å; H315-E318 PolarHBondContact ND1-OE2 2.72Å; E318-G320 VanDerWaalsContact C-N 3.34Å; E318-M322 WeakPolarHBondContact O-CB 3.25Å; E318-M322 WeakPolarHBondContact O-CE 3.33Å; E318-M322 WeakPolarHBondContact O-CG 3.38Å; E318-M322 PolarHBondContact O-N 3.31Å |
| 319 | L | 97.5 | Very high | 97.3 | Very high | 107 Ų | 107 | 104.5 Ų | 104.5 | 56% | 0.56 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.9 | -36.3 | 174.4 | -76.7 | 166.3 | 0 | 0 | 0 | 112.7 | H315 Q316 M322 S323 | H315-L319 WeakPolarHBondContact O-CB 3.22Å; H315-L319 WeakPolarHBondContact O-CD1 3.45Å; H315-L319 WeakPolarHBondContact O-CG 3.29Å; H315-L319 PolarHBondContact O-N 3.46Å; Q316-L319 PolarHBondContact O-N 2.86Å; L319-M322 HydrophobicContact CD2-CE 4.06Å; L319-M322 HydrophobicContact CG-CE 4.47Å; L319-S323 WeakPolarHBondContact O-CB 3.49Å; L319-S323 PolarHBondContact O-N 2.8Å; L319-S323 VanDerWaalsContact O-N 3.09Å; L319-S323 PolarHBondContact O-OG 2.9Å |
| 320 | G | 97.8 | Very high | 97.2 | Very high | 31 Ų | 31 | 107 Ų | 107 | 32% | 0.32 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.5 | -56.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q316 D317 E318 M322 S323 E324 | Q316-G320 PolarHBondContact O-N 3.43Å; D317-G320 PolarHBondContact O-N 2.95Å; E318-G320 VanDerWaalsContact C-N 3.34Å; G320-M322 PolarHBondContact O-N 3.07Å; G320-S323 WeakPolarHBondContact O-CA 3.42Å; G320-S323 WeakPolarHBondContact O-CB 3.43Å; G320-S323 PolarHBondContact O-N 3.05Å; G320-E324 PolarHBondContact O-N 3.36Å |
| 321 | R | 97.6 | Very high | 97.2 | Very high | 153 Ų | 153 | 103.7 Ų | 103.7 | 58% | 0.577 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -58.8 | -44.8 | 178.6 | -67.6 | 175.3 | -163.6 | 165.7 | 11.1 | 112.6 | D317 S323 E324 D325 | D317-R321 WeakPolarHBondContact O-CG 3.39Å; D317-R321 PolarHBondContact O-N 2.99Å; R321-S323 PolarHBondContact O-N 2.96Å; R321-E324 PolarHBondContact O-N 3.47Å; R321-D325 WeakPolarHBondContact O-CB 3.23Å; R321-D325 PolarHBondContact O-N 2.88Å |
| 322 | M | 97.1 | Very high | 97.2 | Very high | 104 Ų | 104 | 102.4 Ų | 102.4 | 51% | 0.512 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63 | -25.4 | 175.7 | -73.8 | -172.6 | -65.9 | 0 | 0 | 112.9 | E318 L319 G320 L326 | E318-M322 WeakPolarHBondContact O-CB 3.25Å; E318-M322 WeakPolarHBondContact O-CE 3.33Å; E318-M322 WeakPolarHBondContact O-CG 3.38Å; E318-M322 PolarHBondContact O-N 3.31Å; L319-M322 HydrophobicContact CD2-CE 4.06Å; L319-M322 HydrophobicContact CG-CE 4.47Å; G320-M322 PolarHBondContact O-N 3.07Å; M322-L326 WeakPolarHBondContact O-CB 3.26Å; M322-L326 VanDerWaalsContact O-CD1 3.31Å; M322-L326 WeakPolarHBondContact O-CD1 3.28Å; M322-L326 WeakPolarHBondContact O-CG 3.39Å; M322-L326 PolarHBondContact O-N 2.83Å |
| 323 | S | 97 | Very high | 97.2 | Very high | 61 Ų | 61 | 102.8 Ų | 102.8 | 43% | 0.427 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -79.1 | -41.3 | 174.4 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | L319 G320 R321 L326 E327 | L319-S323 WeakPolarHBondContact O-CB 3.49Å; L319-S323 PolarHBondContact O-N 2.8Å; L319-S323 VanDerWaalsContact O-N 3.09Å; L319-S323 PolarHBondContact O-OG 2.9Å; G320-S323 WeakPolarHBondContact O-CA 3.42Å; G320-S323 WeakPolarHBondContact O-CB 3.43Å; G320-S323 PolarHBondContact O-N 3.05Å; R321-S323 PolarHBondContact O-N 2.96Å; S323-L326 PolarHBondContact O-N 3.18Å; S323-E327 WeakPolarHBondContact O-CG 3.43Å; S323-E327 PolarHBondContact O-N 2.92Å |
| 324 | E | 97.3 | Very high | 97.2 | Very high | 132 Ų | 132 | 99.9 Ų | 99.9 | 62% | 0.617 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.3 | -48.5 | 172.7 | -67.3 | 171.9 | 162.5 | 0 | 0 | 111.4 | G320 R321 L326 E327 D328 | G320-E324 PolarHBondContact O-N 3.36Å; R321-E324 PolarHBondContact O-N 3.47Å; E324-L326 VanDerWaalsContact C-N 3.31Å; E324-L326 PolarHBondContact O-N 2.96Å; E324-E327 PolarHBondContact O-N 3.3Å; E324-D328 PolarHBondContact O-N 2.82Å |
| 325 | D | 97.6 | Very high | 97.2 | Very high | 108 Ų | 108 | 100 Ų | 100 | 58% | 0.578 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -56.4 | -43 | 175.3 | -72.2 | -35.9 | 0 | 0 | 0 | 111.6 | R321 D328 E329 | R321-D325 WeakPolarHBondContact O-CB 3.23Å; R321-D325 PolarHBondContact O-N 2.88Å; D325-D328 PolarHBondContact O-N 3.12Å; D325-E329 WeakPolarHBondContact O-CG 3.43Å; D325-E329 PolarHBondContact O-N 2.9Å |
| 326 | L | 96.9 | Very high | 97.2 | Very high | 102 Ų | 102 | 100.8 Ų | 100.8 | 53% | 0.534 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.7 | -36.1 | 178 | -77.2 | 171 | 0 | 0 | 0 | 112.9 | M322 S323 E324 L330 | M322-L326 WeakPolarHBondContact O-CB 3.26Å; M322-L326 VanDerWaalsContact O-CD1 3.31Å; M322-L326 WeakPolarHBondContact O-CD1 3.28Å; M322-L326 WeakPolarHBondContact O-CG 3.39Å; M322-L326 PolarHBondContact O-N 2.83Å; S323-L326 PolarHBondContact O-N 3.18Å; E324-L326 VanDerWaalsContact C-N 3.31Å; E324-L326 PolarHBondContact O-N 2.96Å; L326-L330 WeakPolarHBondContact O-CB 3.44Å; L326-L330 WeakPolarHBondContact O-CD1 3.33Å; L326-L330 WeakPolarHBondContact O-CG 3.48Å; L326-L330 PolarHBondContact O-N 3.5Å |
| 327 | E | 97.4 | Very high | 97.2 | Very high | 145 Ų | 145 | 97.4 Ų | 97.4 | 68% | 0.678 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.5 | -39.9 | 175 | -75.4 | -173.2 | -167.7 | 0 | 0 | 111.5 | S323 E324 L330 G331 | S323-E327 WeakPolarHBondContact O-CG 3.43Å; S323-E327 PolarHBondContact O-N 2.92Å; E324-E327 PolarHBondContact O-N 3.3Å; E327-L330 PolarHBondContact O-N 2.92Å; E327-G331 PolarHBondContact O-N 3.35Å |
| 328 | D | 97.4 | Very high | 97.3 | Very high | 131 Ų | 131 | 99.5 Ų | 99.5 | 70% | 0.701 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.4 | -40 | 174 | -102.7 | -3.4 | 0 | 0 | 0 | 112.3 | E324 D325 L330 G331 A332 | E324-D328 PolarHBondContact O-N 2.82Å; D325-D328 PolarHBondContact O-N 3.12Å; D328-L330 PolarHBondContact O-N 3.2Å; D328-G331 PolarHBondContact O-N 3.25Å; D328-A332 WeakPolarHBondContact O-CB 3.29Å; D328-A332 PolarHBondContact O-N 3.45Å |
| 329 | E | 96.7 | Very high | 97.3 | Very high | 139 Ų | 139 | 100.4 Ų | 100.4 | 65% | 0.65 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.2 | -42.1 | 171.8 | -79.9 | -161.1 | 161.6 | 0 | 0 | 112 | D325 A332 R333 | D325-E329 WeakPolarHBondContact O-CG 3.43Å; D325-E329 PolarHBondContact O-N 2.9Å; E329-A332 PolarHBondContact O-N 3.45Å; E329-R333 VanDerWaalsContact O-CB 3.23Å; E329-R333 WeakPolarHBondContact O-CB 3.16Å; E329-R333 PolarHBondContact O-N 3.07Å |
| 330 | L | 96.4 | Very high | 97.3 | Very high | 120 Ų | 120 | 99.1 Ų | 99.1 | 63% | 0.628 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.7 | -38.4 | 174.8 | -74 | 169.3 | 0 | 0 | 0 | 111.9 | L326 E327 D328 R333 S334 | L326-L330 WeakPolarHBondContact O-CB 3.44Å; L326-L330 WeakPolarHBondContact O-CD1 3.33Å; L326-L330 WeakPolarHBondContact O-CG 3.48Å; L326-L330 PolarHBondContact O-N 3.5Å; E327-L330 PolarHBondContact O-N 2.92Å; D328-L330 PolarHBondContact O-N 3.2Å; L330-R333 PolarHBondContact O-N 3.47Å; L330-S334 WeakPolarHBondContact O-CB 3.29Å; L330-S334 PolarHBondContact O-N 2.95Å |
| 331 | G | 96.7 | Very high | 97.3 | Very high | 41 Ų | 41 | 100.4 Ų | 100.4 | 42% | 0.423 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.6 | -48 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E327 D328 R333 S334 S335 | E327-G331 PolarHBondContact O-N 3.35Å; D328-G331 PolarHBondContact O-N 3.25Å; G331-R333 VanDerWaalsContact C-N 3.32Å; G331-R333 PolarHBondContact O-N 2.79Å; G331-S334 PolarHBondContact O-N 3Å; G331-S335 WeakPolarHBondContact O-CB 3.17Å; G331-S335 PolarHBondContact O-N 2.92Å |
| 332 | A | 97.7 | Very high | 97.3 | Very high | 63 Ų | 63 | 98.6 Ų | 98.6 | 52% | 0.521 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | D328 E329 S335 M336 | D328-A332 WeakPolarHBondContact O-CB 3.29Å; D328-A332 PolarHBondContact O-N 3.45Å; E329-A332 PolarHBondContact O-N 3.45Å; A332-S335 WeakPolarHBondContact O-CB 3.39Å; A332-S335 PolarHBondContact O-N 2.93Å; A332-M336 PolarHBondContact O-N 2.95Å |
| 333 | R | 97.4 | Very high | 97.4 | Very high | 139 Ų | 139 | 99.1 Ų | 99.1 | 53% | 0.525 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.4 | -47 | 176.2 | 178.5 | 57.2 | -166.4 | -89.3 | -4 | 112.2 | E329 L330 G331 S335 M336 D337 | E329-R333 VanDerWaalsContact O-CB 3.23Å; E329-R333 WeakPolarHBondContact O-CB 3.16Å; E329-R333 PolarHBondContact O-N 3.07Å; L330-R333 PolarHBondContact O-N 3.47Å; G331-R333 VanDerWaalsContact C-N 3.32Å; G331-R333 PolarHBondContact O-N 2.79Å; R333-S335 VanDerWaalsContact C-N 3.28Å; R333-S335 PolarHBondContact O-N 3.2Å; R333-M336 PolarHBondContact O-N 2.91Å; R333-M336 VanDerWaalsContact O-N 3.09Å; R333-D337 IonicContact CZ-OD1 3.8Å; R333-D337 IonicContact CZ-OD2 2.73Å; R333-D337 VanDerWaalsContact NE-CG 3.27Å; R333-D337 IonicContact NE-OD1 2.72Å; R333-D337 PolarHBondContact NE-OD1 3.38Å; R333-D337 IonicContact NE-OD2 3.64Å; R333-D337 PolarHBondContact NE-OD2 2.85Å; R333-D337 IonicContact NH2-OD1 3.59Å; R333-D337 PolarHBondContact NH2-OD1 3.26Å; R333-D337 IonicContact NH2-OD2 2.76Å; R333-D337 PolarHBondContact NH2-OD2 3.36Å; R333-D337 PolarHBondContact O-N 2.81Å |
| 334 | S | 97.3 | Very high | 97.4 | Very high | 58 Ų | 58 | 102.9 Ų | 102.9 | 41% | 0.406 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.1 | -38.9 | 174.3 | 179.4 | 0 | 0 | 0 | 0 | 112.2 | L330 G331 R338 | L330-S334 WeakPolarHBondContact O-CB 3.29Å; L330-S334 PolarHBondContact O-N 2.95Å; G331-S334 PolarHBondContact O-N 3Å; S334-R338 WeakPolarHBondContact O-CB 3.33Å; S334-R338 PolarHBondContact O-N 3.32Å |
| 335 | S | 97.1 | Very high | 97.5 | Very high | 43 Ų | 43 | 98.3 Ų | 98.3 | 30% | 0.301 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 173 | -168.4 | 0 | 0 | 0 | 0 | 112.6 | G331 A332 R333 K339 | G331-S335 WeakPolarHBondContact O-CB 3.17Å; G331-S335 PolarHBondContact O-N 2.92Å; A332-S335 WeakPolarHBondContact O-CB 3.39Å; A332-S335 PolarHBondContact O-N 2.93Å; R333-S335 VanDerWaalsContact C-N 3.28Å; R333-S335 PolarHBondContact O-N 3.2Å; S335-K339 WeakPolarHBondContact O-CG 3.48Å; S335-K339 PolarHBondContact O-N 3.18Å |
| 336 | M | 96.9 | Very high | 97.5 | Very high | 110 Ų | 110 | 97.1 Ų | 97.1 | 54% | 0.542 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -72.3 | -43.5 | 176.1 | -178.5 | 155.7 | 52.8 | 0 | 0 | 112.8 | A332 R333 R338 K339 M340 | A332-M336 PolarHBondContact O-N 2.95Å; R333-M336 PolarHBondContact O-N 2.91Å; R333-M336 VanDerWaalsContact O-N 3.09Å; M336-R338 VanDerWaalsContact C-N 3.26Å; M336-R338 PolarHBondContact O-N 3.49Å; M336-K339 PolarHBondContact O-N 2.88Å; M336-M340 HydrophobicContact CG-CG 4.48Å; M336-M340 WeakPolarHBondContact O-CG 3.48Å; M336-M340 PolarHBondContact O-N 3.18Å |
| 337 | D | 97.4 | Very high | 97.5 | Very high | 73 Ų | 73 | 97.5 Ų | 97.5 | 39% | 0.39 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.5 | -34.6 | 177.3 | -72.4 | -36.1 | 0 | 0 | 0 | 111.4 | R333 M340 A341 | R333-D337 IonicContact CZ-OD1 3.8Å; R333-D337 IonicContact CZ-OD2 2.73Å; R333-D337 VanDerWaalsContact NE-CG 3.27Å; R333-D337 IonicContact NE-OD1 2.72Å; R333-D337 PolarHBondContact NE-OD1 3.38Å; R333-D337 IonicContact NE-OD2 3.64Å; R333-D337 PolarHBondContact NE-OD2 2.85Å; R333-D337 IonicContact NH2-OD1 3.59Å; R333-D337 PolarHBondContact NH2-OD1 3.26Å; R333-D337 IonicContact NH2-OD2 2.76Å; R333-D337 PolarHBondContact NH2-OD2 3.36Å; R333-D337 PolarHBondContact O-N 2.81Å; D337-M340 PolarHBondContact O-N 2.65Å; D337-A341 PolarHBondContact O-N 2.98Å |
| 338 | R | 98.3 | Very high | 97.6 | Very high | 131 Ų | 131 | 96.8 Ų | 96.8 | 49% | 0.494 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.9 | -49.8 | 171.4 | -169.9 | -175.2 | -59.4 | 96.5 | 12.4 | 112.4 | S334 M336 M340 A341 E342 | S334-R338 WeakPolarHBondContact O-CB 3.33Å; S334-R338 PolarHBondContact O-N 3.32Å; M336-R338 VanDerWaalsContact C-N 3.26Å; M336-R338 PolarHBondContact O-N 3.49Å; R338-M340 PolarHBondContact O-N 3.47Å; R338-A341 WeakPolarHBondContact O-CA 3.5Å; R338-A341 WeakPolarHBondContact O-CB 3.44Å; R338-A341 PolarHBondContact O-N 2.98Å; R338-E342 WeakPolarHBondContact CG-OE1 3.39Å; R338-E342 WeakPolarHBondContact O-CG 3.26Å; R338-E342 PolarHBondContact O-N 2.88Å |
| 339 | K | 98.1 | Very high | 97.6 | Very high | 117 Ų | 117 | 95.2 Ų | 95.2 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.7 | -36.9 | 175.2 | -68.4 | 166.2 | -172.5 | 173.8 | 0 | 111.9 | S335 M336 A341 E342 L343 | S335-K339 WeakPolarHBondContact O-CG 3.48Å; S335-K339 PolarHBondContact O-N 3.18Å; M336-K339 PolarHBondContact O-N 2.88Å; K339-A341 VanDerWaalsContact C-N 3.31Å; K339-A341 PolarHBondContact O-N 3.03Å; K339-E342 PolarHBondContact O-N 3.22Å; K339-L343 WeakPolarHBondContact O-CB 3.26Å; K339-L343 VanDerWaalsContact O-CG 3.31Å; K339-L343 WeakPolarHBondContact O-CG 3.26Å; K339-L343 PolarHBondContact O-N 2.97Å |
| 340 | M | 97.4 | Very high | 97.6 | Very high | 81 Ų | 81 | 92.8 Ų | 92.8 | 40% | 0.399 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -71.7 | -20.4 | 174.8 | -69.8 | -60.5 | -63.1 | 0 | 0 | 113.6 | M336 D337 R338 R344 | M336-M340 HydrophobicContact CG-CG 4.48Å; M336-M340 WeakPolarHBondContact O-CG 3.48Å; M336-M340 PolarHBondContact O-N 3.18Å; D337-M340 PolarHBondContact O-N 2.65Å; R338-M340 PolarHBondContact O-N 3.47Å; M340-R344 VanDerWaalsContact O-CD 3.32Å; M340-R344 WeakPolarHBondContact O-CD 3.39Å; M340-R344 VanDerWaalsContact O-CG 3.22Å; M340-R344 WeakPolarHBondContact O-CG 3.44Å; M340-R344 PolarHBondContact O-NH1 3.38Å; M340-R344 VanDerWaalsContact O-NH1 3.08Å |
| 341 | A | 98.3 | Very high | 97.6 | Very high | 57 Ų | 57 | 92.8 Ų | 92.8 | 47% | 0.471 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -80.8 | -44 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | D337 R338 K339 L343 R344 G345 | D337-A341 PolarHBondContact O-N 2.98Å; R338-A341 WeakPolarHBondContact O-CA 3.5Å; R338-A341 WeakPolarHBondContact O-CB 3.44Å; R338-A341 PolarHBondContact O-N 2.98Å; K339-A341 VanDerWaalsContact C-N 3.31Å; K339-A341 PolarHBondContact O-N 3.03Å; A341-L343 PolarHBondContact O-N 2.99Å; A341-R344 PolarHBondContact O-N 3.49Å; A341-R344 VanDerWaalsContact O-N 3.15Å; A341-G345 PolarHBondContact O-N 3.4Å |
| 342 | E | 97.8 | Very high | 97.7 | Very high | 116 Ų | 116 | 93.9 Ų | 93.9 | 54% | 0.542 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -56.6 | -48.4 | 175.6 | -69.4 | 162.1 | -175.1 | 0 | 0 | 111.6 | R338 K339 R344 G345 E346 | R338-E342 WeakPolarHBondContact CG-OE1 3.39Å; R338-E342 WeakPolarHBondContact O-CG 3.26Å; R338-E342 PolarHBondContact O-N 2.88Å; K339-E342 PolarHBondContact O-N 3.22Å; E342-R344 VanDerWaalsContact C-N 3.29Å; E342-R344 PolarHBondContact O-N 2.93Å; E342-G345 PolarHBondContact O-N 3.41Å; E342-E346 WeakPolarHBondContact O-CB 3.42Å; E342-E346 PolarHBondContact O-N 3.21Å |
| 343 | L | 98.1 | Very high | 97.6 | Very high | 114 Ų | 114 | 94.9 Ų | 94.9 | 60% | 0.597 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -65.2 | -27.1 | 177.5 | -71.2 | 171.1 | 0 | 0 | 0 | 113.8 | K339 A341 M347 | K339-L343 WeakPolarHBondContact O-CB 3.26Å; K339-L343 VanDerWaalsContact O-CG 3.31Å; K339-L343 WeakPolarHBondContact O-CG 3.26Å; K339-L343 PolarHBondContact O-N 2.97Å; A341-L343 PolarHBondContact O-N 2.99Å; L343-M347 WeakPolarHBondContact O-CB 3.4Å; L343-M347 PolarHBondContact O-N 3.48Å; L343-M347 VanDerWaalsContact O-N 3.17Å |
| 344 | R | 97.7 | Very high | 97.5 | Very high | 141 Ų | 141 | 92.9 Ų | 92.9 | 53% | 0.532 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -74.6 | -47.6 | 172.9 | -74.6 | 172.1 | -175.4 | 123.9 | -7.9 | 111.1 | M340 A341 E342 E346 M347 E348 | M340-R344 VanDerWaalsContact O-CD 3.32Å; M340-R344 WeakPolarHBondContact O-CD 3.39Å; M340-R344 VanDerWaalsContact O-CG 3.22Å; M340-R344 WeakPolarHBondContact O-CG 3.44Å; M340-R344 PolarHBondContact O-NH1 3.38Å; M340-R344 VanDerWaalsContact O-NH1 3.08Å; A341-R344 PolarHBondContact O-N 3.49Å; A341-R344 VanDerWaalsContact O-N 3.15Å; E342-R344 VanDerWaalsContact C-N 3.29Å; E342-R344 PolarHBondContact O-N 2.93Å; R344-E346 VanDerWaalsContact C-N 3.28Å; R344-E346 PolarHBondContact O-N 3.36Å; R344-M347 WeakPolarHBondContact O-CB 3.42Å; R344-M347 PolarHBondContact O-N 3.05Å; R344-M347 VanDerWaalsContact O-N 3.1Å; R344-E348 WeakPolarHBondContact O-CG 3.25Å; R344-E348 PolarHBondContact O-N 3.37Å |
| 345 | G | 98.1 | Very high | 97.5 | Very high | 36 Ų | 36 | 93.1 Ų | 93.1 | 37% | 0.371 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.9 | -38 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | A341 E342 E348 R349 | A341-G345 PolarHBondContact O-N 3.4Å; E342-G345 PolarHBondContact O-N 3.41Å; G345-E348 PolarHBondContact O-N 3.25Å; G345-R349 WeakPolarHBondContact O-CB 3.36Å; G345-R349 PolarHBondContact O-N 2.98Å |
| 346 | E | 97.9 | Very high | 97.5 | Very high | 83 Ų | 83 | 93 Ų | 93 | 39% | 0.388 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.8 | -39 | 173.9 | -179.8 | 63.3 | -179.7 | 0 | 0 | 112.3 | E342 R344 R349 L350 | E342-E346 WeakPolarHBondContact O-CB 3.42Å; E342-E346 PolarHBondContact O-N 3.21Å; R344-E346 VanDerWaalsContact C-N 3.28Å; R344-E346 PolarHBondContact O-N 3.36Å; E346-R349 VanDerWaalsContact CD-NH2 3.28Å; E346-R349 PolarHBondContact O-N 3.06Å; E346-R349 IonicContact OE1-CZ 3.85Å; E346-R349 IonicContact OE1-NE 3.6Å; E346-R349 IonicContact OE1-NH2 2.65Å; E346-R349 PolarHBondContact OE1-NH2 3.3Å; E346-R349 IonicContact OE2-CZ 2.99Å; E346-R349 IonicContact OE2-NE 3.48Å; E346-R349 PolarHBondContact OE2-NE 2.95Å; E346-R349 IonicContact OE2-NH2 2.81Å; E346-R349 PolarHBondContact OE2-NH2 2.79Å; E346-L350 HydrophobicContact CG-CD1 4.2Å; E346-L350 WeakPolarHBondContact O-CB 3.47Å; E346-L350 VanDerWaalsContact O-CG 3.28Å; E346-L350 WeakPolarHBondContact O-CG 3.45Å; E346-L350 PolarHBondContact O-N 3.17Å |
| 347 | M | 98 | Very high | 97.5 | Very high | 110 Ų | 110 | 92.6 Ų | 92.6 | 54% | 0.542 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 173 | -171.3 | -170 | -57 | 0 | 0 | 111.7 | L343 R344 L350 Q351 | L343-M347 WeakPolarHBondContact O-CB 3.4Å; L343-M347 PolarHBondContact O-N 3.48Å; L343-M347 VanDerWaalsContact O-N 3.17Å; R344-M347 WeakPolarHBondContact O-CB 3.42Å; R344-M347 PolarHBondContact O-N 3.05Å; R344-M347 VanDerWaalsContact O-N 3.1Å; M347-L350 PolarHBondContact O-N 3.22Å; M347-Q351 VanDerWaalsContact O-CG 3.3Å; M347-Q351 WeakPolarHBondContact O-CG 3.49Å; M347-Q351 PolarHBondContact O-N 3.49Å |
| 348 | E | 98.1 | Very high | 97.5 | Very high | 129 Ų | 129 | 96.3 Ų | 96.3 | 60% | 0.603 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.1 | -42.5 | 177.2 | -71.6 | 168.8 | -162.5 | 0 | 0 | 111.6 | R344 G345 Q351 A352 | R344-E348 WeakPolarHBondContact O-CG 3.25Å; R344-E348 PolarHBondContact O-N 3.37Å; G345-E348 PolarHBondContact O-N 3.25Å; E348-Q351 PolarHBondContact O-N 2.81Å; E348-A352 WeakPolarHBondContact O-CB 3.44Å; E348-A352 PolarHBondContact O-N 3.17Å |
| 349 | R | 97.9 | Very high | 97.4 | Very high | 99 Ų | 99 | 91.2 Ų | 91.2 | 37% | 0.374 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58 | -49.8 | 173.4 | -172.6 | -171.9 | 69.8 | 75.1 | 5 | 111.4 | G345 E346 Q351 A352 E353 | G345-R349 WeakPolarHBondContact O-CB 3.36Å; G345-R349 PolarHBondContact O-N 2.98Å; E346-R349 VanDerWaalsContact CD-NH2 3.28Å; E346-R349 PolarHBondContact O-N 3.06Å; E346-R349 IonicContact OE1-CZ 3.85Å; E346-R349 IonicContact OE1-NE 3.6Å; E346-R349 IonicContact OE1-NH2 2.65Å; E346-R349 PolarHBondContact OE1-NH2 3.3Å; E346-R349 IonicContact OE2-CZ 2.99Å; E346-R349 IonicContact OE2-NE 3.48Å; E346-R349 PolarHBondContact OE2-NE 2.95Å; E346-R349 IonicContact OE2-NH2 2.81Å; E346-R349 PolarHBondContact OE2-NH2 2.79Å; R349-Q351 VanDerWaalsContact C-N 3.33Å; R349-Q351 PolarHBondContact O-N 3.3Å; R349-A352 PolarHBondContact O-N 2.95Å; R349-E353 IonicContact CZ-OE1 3.15Å; R349-E353 IonicContact CZ-OE2 2.66Å; R349-E353 IonicContact NH1-OE1 2.65Å; R349-E353 PolarHBondContact NH1-OE1 3.03Å; R349-E353 IonicContact NH1-OE2 3.84Å; R349-E353 PolarHBondContact NH1-OE2 2.82Å; R349-E353 WeakPolarHBondContact O-CG 3.49Å; R349-E353 PolarHBondContact O-N 3.23Å |
| 350 | L | 97.4 | Very high | 97.4 | Very high | 87 Ų | 87 | 91.1 Ų | 91.1 | 46% | 0.455 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.3 | -34 | 179.3 | -72.2 | 169.8 | 0 | 0 | 0 | 112.6 | E346 M347 N354 | E346-L350 HydrophobicContact CG-CD1 4.2Å; E346-L350 WeakPolarHBondContact O-CB 3.47Å; E346-L350 VanDerWaalsContact O-CG 3.28Å; E346-L350 WeakPolarHBondContact O-CG 3.45Å; E346-L350 PolarHBondContact O-N 3.17Å; M347-L350 PolarHBondContact O-N 3.22Å; L350-N354 WeakPolarHBondContact O-CB 3.45Å; L350-N354 PolarHBondContact O-N 2.67Å |
| 351 | Q | 96.9 | Very high | 97.3 | Very high | 120 Ų | 120 | 94.8 Ų | 94.8 | 56% | 0.561 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67 | -44.7 | 172.7 | -74.2 | 176 | 21.4 | 0 | 0 | 111.9 | M347 E348 R349 N354 A355 | M347-Q351 VanDerWaalsContact O-CG 3.3Å; M347-Q351 WeakPolarHBondContact O-CG 3.49Å; M347-Q351 PolarHBondContact O-N 3.49Å; E348-Q351 PolarHBondContact O-N 2.81Å; R349-Q351 VanDerWaalsContact C-N 3.33Å; R349-Q351 PolarHBondContact O-N 3.3Å; Q351-N354 PolarHBondContact O-N 2.85Å; Q351-A355 PolarHBondContact O-N 3.26Å |
| 352 | A | 97.3 | Very high | 97.2 | Very high | 64 Ų | 64 | 98.7 Ų | 98.7 | 53% | 0.529 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | E348 R349 A355 A356 | E348-A352 WeakPolarHBondContact O-CB 3.44Å; E348-A352 PolarHBondContact O-N 3.17Å; R349-A352 PolarHBondContact O-N 2.95Å; A352-A355 PolarHBondContact O-N 3.34Å; A352-A356 WeakPolarHBondContact O-CB 3.3Å; A352-A356 PolarHBondContact O-N 3.28Å |
| 353 | E | 95.3 | Very high | 97.1 | Very high | 85 Ų | 85 | 100 Ų | 100 | 40% | 0.397 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.1 | -41 | 174.3 | -76.8 | 173.4 | -168.6 | 0 | 0 | 112.3 | R349 A355 A356 E357 | R349-E353 IonicContact CZ-OE1 3.15Å; R349-E353 IonicContact CZ-OE2 2.66Å; R349-E353 IonicContact NH1-OE1 2.65Å; R349-E353 PolarHBondContact NH1-OE1 3.03Å; R349-E353 IonicContact NH1-OE2 3.84Å; R349-E353 PolarHBondContact NH1-OE2 2.82Å; R349-E353 WeakPolarHBondContact O-CG 3.49Å; R349-E353 PolarHBondContact O-N 3.23Å; E353-A355 PolarHBondContact O-N 2.87Å; E353-A356 PolarHBondContact O-N 2.94Å; E353-E357 WeakPolarHBondContact O-CG 3.06Å; E353-E357 PolarHBondContact O-N 3.31Å |
| 354 | N | 97 | Very high | 97.1 | Very high | 97 Ų | 97 | 99.7 Ų | 99.7 | 52% | 0.519 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.8 | -47.3 | 174.9 | -162.5 | -80.4 | 0 | 0 | 0 | 111.3 | L350 Q351 A356 E357 W358 | L350-N354 WeakPolarHBondContact O-CB 3.45Å; L350-N354 PolarHBondContact O-N 2.67Å; Q351-N354 PolarHBondContact O-N 2.85Å; N354-A356 PolarHBondContact O-N 2.86Å; N354-E357 PolarHBondContact O-N 3.46Å; N354-W358 PolarHBondContact O-N 2.83Å; N354-W358 PolarHBondContact OD1-NE1 2.91Å; N354-W358 VanDerWaalsContact OD1-NE1 3.07Å |
| 355 | A | 97.4 | Very high | 97 | Very high | 63 Ų | 63 | 96.9 Ų | 96.9 | 52% | 0.521 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q351 A352 E353 W358 G359 | Q351-A355 PolarHBondContact O-N 3.26Å; A352-A355 PolarHBondContact O-N 3.34Å; E353-A355 PolarHBondContact O-N 2.87Å; A355-W358 PolarHBondContact O-N 3.46Å; A355-G359 PolarHBondContact O-N 3.15Å |
| 356 | A | 96.4 | Very high | 96.9 | Very high | 41 Ų | 41 | 99.1 Ų | 99.1 | 34% | 0.339 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.2 | -37.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A352 E353 N354 G359 R360 | A352-A356 WeakPolarHBondContact O-CB 3.3Å; A352-A356 PolarHBondContact O-N 3.28Å; E353-A356 PolarHBondContact O-N 2.94Å; N354-A356 PolarHBondContact O-N 2.86Å; A356-G359 PolarHBondContact O-N 3.26Å; A356-R360 PolarHBondContact O-N 2.94Å |
| 357 | E | 96.9 | Very high | 96.9 | Very high | 100 Ų | 100 | 100.5 Ų | 100.5 | 47% | 0.467 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.4 | -36.4 | 174.6 | -69.4 | -56.4 | 165.1 | 0 | 0 | 113.1 | E353 N354 G359 R360 R361 | E353-E357 WeakPolarHBondContact O-CG 3.06Å; E353-E357 PolarHBondContact O-N 3.31Å; N354-E357 PolarHBondContact O-N 3.46Å; E357-G359 VanDerWaalsContact C-N 3.34Å; E357-G359 PolarHBondContact O-N 3.03Å; E357-R360 VanDerWaalsContact CD-NH2 3.3Å; E357-R360 PolarHBondContact O-N 3.07Å; E357-R360 IonicContact OE1-CZ 2.68Å; E357-R360 VanDerWaalsContact OE1-CZ 3.29Å; E357-R360 IonicContact OE1-NE 2.74Å; E357-R360 PolarHBondContact OE1-NE 3.41Å; E357-R360 VanDerWaalsContact OE1-NE 3.15Å; E357-R360 IonicContact OE1-NH2 2.89Å; E357-R360 PolarHBondContact OE1-NH2 2.95Å; E357-R360 IonicContact OE2-CZ 2.65Å; E357-R360 IonicContact OE2-NE 3.85Å; E357-R360 PolarHBondContact OE2-NE 3.25Å; E357-R360 IonicContact OE2-NH2 2.65Å; E357-R361 VanDerWaalsContact O-CB 3.28Å; E357-R361 WeakPolarHBondContact O-CB 3.38Å; E357-R361 PolarHBondContact O-N 2.84Å |
| 358 | W | 97.9 | Very high | 96.9 | Very high | 152 Ų | 152 | 99.4 Ų | 99.4 | 58% | 0.576 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -58.8 | -46.5 | 169.5 | -80.5 | 108.7 | 0 | 0 | 0 | 111.4 | N354 A355 R360 R361 E362 | N354-W358 PolarHBondContact O-N 2.83Å; N354-W358 PolarHBondContact OD1-NE1 2.91Å; N354-W358 VanDerWaalsContact OD1-NE1 3.07Å; A355-W358 PolarHBondContact O-N 3.46Å; W358-R360 VanDerWaalsContact C-N 3.32Å; W358-R360 PolarHBondContact O-N 3.21Å; W358-R361 PolarHBondContact O-N 2.86Å; W358-E362 PolarHBondContact O-N 3.04Å |
| 359 | G | 96.3 | Very high | 96.8 | Very high | 23 Ų | 23 | 96.1 Ų | 96.1 | 24% | 0.237 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -67.1 | -26.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | A355 A356 E357 R363 | A355-G359 PolarHBondContact O-N 3.15Å; A356-G359 PolarHBondContact O-N 3.26Å; E357-G359 VanDerWaalsContact C-N 3.34Å; E357-G359 PolarHBondContact O-N 3.03Å; G359-R363 PolarHBondContact O-NE 2.75Å; G359-R363 PolarHBondContact O-NH2 2.88Å |
| 360 | R | 96.8 | Very high | 96.7 | Very high | 115 Ų | 115 | 92.7 Ų | 92.7 | 43% | 0.434 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -72.4 | -46.3 | 169 | -79.8 | -168.1 | -88.5 | -99.3 | 4.7 | 111.1 | A356 E357 W358 E362 R363 L364 | A356-R360 PolarHBondContact O-N 2.94Å; E357-R360 VanDerWaalsContact CD-NH2 3.3Å; E357-R360 PolarHBondContact O-N 3.07Å; E357-R360 IonicContact OE1-CZ 2.68Å; E357-R360 VanDerWaalsContact OE1-CZ 3.29Å; E357-R360 IonicContact OE1-NE 2.74Å; E357-R360 PolarHBondContact OE1-NE 3.41Å; E357-R360 VanDerWaalsContact OE1-NE 3.15Å; E357-R360 IonicContact OE1-NH2 2.89Å; E357-R360 PolarHBondContact OE1-NH2 2.95Å; E357-R360 IonicContact OE2-CZ 2.65Å; E357-R360 IonicContact OE2-NE 3.85Å; E357-R360 PolarHBondContact OE2-NE 3.25Å; E357-R360 IonicContact OE2-NH2 2.65Å; W358-R360 VanDerWaalsContact C-N 3.32Å; W358-R360 PolarHBondContact O-N 3.21Å; R360-E362 PolarHBondContact O-N 3.46Å; R360-R363 PolarHBondContact O-N 2.99Å; R360-L364 WeakPolarHBondContact O-CG 3.46Å; R360-L364 PolarHBondContact O-N 3.27Å |
| 361 | R | 95.5 | Very high | 96.7 | Very high | 159 Ų | 159 | 93.8 Ų | 93.8 | 60% | 0.6 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -60.1 | -43.7 | 179.5 | -178.3 | -179.4 | -179.5 | 174.4 | 2.8 | 112.5 | E357 W358 L364 E365 | E357-R361 VanDerWaalsContact O-CB 3.28Å; E357-R361 WeakPolarHBondContact O-CB 3.38Å; E357-R361 PolarHBondContact O-N 2.84Å; W358-R361 PolarHBondContact O-N 2.86Å; R361-L364 PolarHBondContact O-N 3.23Å; R361-E365 WeakPolarHBondContact O-CB 3.41Å; R361-E365 PolarHBondContact O-N 2.85Å |
| 362 | E | 96.8 | Very high | 96.7 | Very high | 139 Ų | 139 | 93 Ų | 93 | 65% | 0.65 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -60.5 | -50.1 | 177.3 | -176.9 | 175.6 | -151.3 | 0 | 0 | 111.2 | W358 R360 L364 E365 T366 | W358-E362 PolarHBondContact O-N 3.04Å; R360-E362 PolarHBondContact O-N 3.46Å; E362-L364 PolarHBondContact O-N 3Å; E362-E365 PolarHBondContact O-N 3.31Å; E362-T366 WeakPolarHBondContact O-CG2 3.44Å; E362-T366 PolarHBondContact O-N 3.19Å |
| 363 | R | 96.5 | Very high | 96.8 | Very high | 143 Ų | 143 | 97.1 Ų | 97.1 | 54% | 0.54 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -56.7 | -50.2 | 176 | -78.6 | 176.2 | -73.8 | -172.6 | -2.4 | 111.8 | G359 R360 E365 T366 E367 | G359-R363 PolarHBondContact O-NE 2.75Å; G359-R363 PolarHBondContact O-NH2 2.88Å; R360-R363 PolarHBondContact O-N 2.99Å; R363-E365 VanDerWaalsContact C-N 3.3Å; R363-E365 PolarHBondContact O-N 2.84Å; R363-T366 PolarHBondContact O-N 2.68Å; R363-T366 VanDerWaalsContact O-N 3.07Å; R363-T366 PolarHBondContact O-OG1 3.31Å; R363-E367 WeakPolarHBondContact O-CG 3.47Å; R363-E367 PolarHBondContact O-N 2.99Å |
| 364 | L | 96.3 | Very high | 96.9 | Very high | 108 Ų | 108 | 98.1 Ų | 98.1 | 57% | 0.565 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60.1 | -36.5 | 178.2 | -71.3 | 171 | 0 | 0 | 0 | 113.2 | R360 R361 E362 K368 | R360-L364 WeakPolarHBondContact O-CG 3.46Å; R360-L364 PolarHBondContact O-N 3.27Å; R361-L364 PolarHBondContact O-N 3.23Å; E362-L364 PolarHBondContact O-N 3Å; L364-K368 WeakPolarHBondContact O-CB 3.34Å; L364-K368 PolarHBondContact O-N 3.41Å |
| 365 | E | 97.2 | Very high | 96.9 | Very high | 82 Ų | 82 | 96.9 Ų | 96.9 | 38% | 0.383 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -70.1 | -38 | 174.5 | -173 | 63.2 | -149.4 | 0 | 0 | 111.4 | R361 E362 R363 K368 L369 | R361-E365 WeakPolarHBondContact O-CB 3.41Å; R361-E365 PolarHBondContact O-N 2.85Å; E362-E365 PolarHBondContact O-N 3.31Å; R363-E365 VanDerWaalsContact C-N 3.3Å; R363-E365 PolarHBondContact O-N 2.84Å; E365-K368 IonicContact OE1-NZ 2.68Å; E365-K368 PolarHBondContact OE1-NZ 2.89Å; E365-K368 WeakPolarHBondContact OE2-CD 3.44Å; E365-K368 IonicContact OE2-NZ 2.67Å; E365-K368 PolarHBondContact OE2-NZ 2.98Å; E365-L369 HydrophobicContact CG-CD1 4.3Å; E365-L369 WeakPolarHBondContact O-CB 3.44Å; E365-L369 VanDerWaalsContact O-CG 3.22Å; E365-L369 WeakPolarHBondContact O-CG 3.39Å; E365-L369 PolarHBondContact O-N 3.4Å |
| 366 | T | 96 | Very high | 97 | Very high | 83 Ų | 83 | 101.5 Ų | 101.5 | 51% | 0.509 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.1 | -40 | 173 | 63.9 | 0 | 0 | 0 | 0 | 112.9 | E362 R363 L369 G370 | E362-T366 WeakPolarHBondContact O-CG2 3.44Å; E362-T366 PolarHBondContact O-N 3.19Å; R363-T366 PolarHBondContact O-N 2.68Å; R363-T366 VanDerWaalsContact O-N 3.07Å; R363-T366 PolarHBondContact O-OG1 3.31Å; T366-L369 PolarHBondContact O-N 3.44Å; T366-G370 PolarHBondContact O-N 2.95Å |
| 367 | E | 96.9 | Very high | 97.1 | Very high | 112 Ų | 112 | 106 Ų | 106 | 52% | 0.523 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65 | -47.5 | 175.9 | -73.5 | 171.8 | -160.2 | 0 | 0 | 111.2 | R363 L369 G370 L371 | R363-E367 WeakPolarHBondContact O-CG 3.47Å; R363-E367 PolarHBondContact O-N 2.99Å; E367-L369 PolarHBondContact O-N 2.88Å; E367-G370 CarbonylContact O-C 3.57Å; E367-G370 WeakPolarHBondContact O-CA 3.28Å; E367-G370 PolarHBondContact O-N 3.47Å; E367-L371 WeakPolarHBondContact O-CG 3.36Å; E367-L371 PolarHBondContact O-N 3.31Å |
| 368 | K | 97.7 | Very high | 97.1 | Very high | 87 Ų | 87 | 105.9 Ų | 105.9 | 38% | 0.378 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -53.2 | -51.3 | 171.7 | 168.6 | -167.4 | 161.4 | -144.7 | 0 | 111.5 | L364 E365 G370 L371 E372 | L364-K368 WeakPolarHBondContact O-CB 3.34Å; L364-K368 PolarHBondContact O-N 3.41Å; E365-K368 IonicContact OE1-NZ 2.68Å; E365-K368 PolarHBondContact OE1-NZ 2.89Å; E365-K368 WeakPolarHBondContact OE2-CD 3.44Å; E365-K368 IonicContact OE2-NZ 2.67Å; E365-K368 PolarHBondContact OE2-NZ 2.98Å; K368-G370 PolarHBondContact O-N 2.74Å; K368-L371 PolarHBondContact O-N 3.49Å; K368-E372 WeakPolarHBondContact CE-OE1 3.42Å; K368-E372 WeakPolarHBondContact CG-OE1 3.47Å; K368-E372 WeakPolarHBondContact O-CB 3.22Å; K368-E372 WeakPolarHBondContact O-CG 3.48Å; K368-E372 PolarHBondContact O-N 3.34Å |
| 369 | L | 96.3 | Very high | 97.1 | Very high | 60 Ų | 60 | 107.2 Ų | 107.2 | 31% | 0.314 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.3 | -25.9 | 176.9 | -70 | 169.1 | 0 | 0 | 0 | 112.1 | E365 T366 E367 R373 | E365-L369 HydrophobicContact CG-CD1 4.3Å; E365-L369 WeakPolarHBondContact O-CB 3.44Å; E365-L369 VanDerWaalsContact O-CG 3.22Å; E365-L369 WeakPolarHBondContact O-CG 3.39Å; E365-L369 PolarHBondContact O-N 3.4Å; T366-L369 PolarHBondContact O-N 3.44Å; E367-L369 PolarHBondContact O-N 2.88Å; L369-R373 WeakPolarHBondContact O-CD 3.44Å; L369-R373 WeakPolarHBondContact O-CG 3.43Å; L369-R373 PolarHBondContact O-N 2.89Å; L369-R373 PolarHBondContact O-NH1 2.92Å |
| 370 | G | 96.8 | Very high | 97.2 | Very high | 26 Ų | 26 | 108.8 Ų | 108.8 | 27% | 0.268 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.2 | -58.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T366 E367 K368 E372 R373 E374 | T366-G370 PolarHBondContact O-N 2.95Å; E367-G370 CarbonylContact O-C 3.57Å; E367-G370 WeakPolarHBondContact O-CA 3.28Å; E367-G370 PolarHBondContact O-N 3.47Å; K368-G370 PolarHBondContact O-N 2.74Å; G370-E372 VanDerWaalsContact C-N 3.3Å; G370-E372 PolarHBondContact O-N 3.47Å; G370-R373 WeakPolarHBondContact O-CB 3.31Å; G370-R373 PolarHBondContact O-N 3.1Å; G370-R373 VanDerWaalsContact O-N 3.07Å; G370-E374 PolarHBondContact O-N 3.3Å |
| 371 | L | 96.3 | Very high | 97.3 | Very high | 111 Ų | 111 | 108.5 Ų | 108.5 | 58% | 0.581 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.3 | -37.4 | 179.9 | -67.8 | 171.2 | 0 | 0 | 0 | 112.7 | E367 K368 E374 N375 | E367-L371 WeakPolarHBondContact O-CG 3.36Å; E367-L371 PolarHBondContact O-N 3.31Å; K368-L371 PolarHBondContact O-N 3.49Å; L371-E374 PolarHBondContact O-N 3.2Å; L371-N375 VanDerWaalsContact O-CB 3.26Å; L371-N375 WeakPolarHBondContact O-CB 3.32Å; L371-N375 PolarHBondContact O-N 3.15Å |
| 372 | E | 97.8 | Very high | 97.4 | Very high | 102 Ų | 102 | 104.7 Ų | 104.7 | 48% | 0.477 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 174.8 | -76.5 | 175.9 | -172.5 | 0 | 0 | 112.3 | K368 G370 K376 | K368-E372 WeakPolarHBondContact CE-OE1 3.42Å; K368-E372 WeakPolarHBondContact CG-OE1 3.47Å; K368-E372 WeakPolarHBondContact O-CB 3.22Å; K368-E372 WeakPolarHBondContact O-CG 3.48Å; K368-E372 PolarHBondContact O-N 3.34Å; G370-E372 VanDerWaalsContact C-N 3.3Å; G370-E372 PolarHBondContact O-N 3.47Å; E372-K376 WeakPolarHBondContact O-CB 3.33Å; E372-K376 PolarHBondContact O-N 2.96Å |
| 373 | R | 98.3 | Very high | 97.4 | Very high | 151 Ų | 151 | 99.4 Ų | 99.4 | 57% | 0.57 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.1 | -39.6 | 175.8 | -67.5 | 169.5 | -168.6 | 118.1 | -9.5 | 111.3 | L369 G370 K376 K377 | L369-R373 WeakPolarHBondContact O-CD 3.44Å; L369-R373 WeakPolarHBondContact O-CG 3.43Å; L369-R373 PolarHBondContact O-N 2.89Å; L369-R373 PolarHBondContact O-NH1 2.92Å; G370-R373 WeakPolarHBondContact O-CB 3.31Å; G370-R373 PolarHBondContact O-N 3.1Å; G370-R373 VanDerWaalsContact O-N 3.07Å; R373-K376 PolarHBondContact O-N 3.17Å; R373-K377 WeakPolarHBondContact O-CG 3.4Å; R373-K377 PolarHBondContact O-N 3.36Å |
| 374 | E | 98 | Very high | 97.5 | Very high | 107 Ų | 107 | 97.2 Ų | 97.2 | 50% | 0.5 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.9 | -42.9 | 175.7 | -69.2 | -176.1 | 170.2 | 0 | 0 | 112.3 | G370 L371 K376 K377 L378 | G370-E374 PolarHBondContact O-N 3.3Å; L371-E374 PolarHBondContact O-N 3.2Å; E374-K376 VanDerWaalsContact C-N 3.27Å; E374-K376 PolarHBondContact O-N 2.7Å; E374-K377 WeakPolarHBondContact O-CB 3.15Å; E374-K377 PolarHBondContact O-N 3.18Å; E374-K377 VanDerWaalsContact O-N 3.09Å; E374-L378 WeakPolarHBondContact O-CG 3.41Å; E374-L378 PolarHBondContact O-N 3.42Å |
| 375 | N | 97.4 | Very high | 97.6 | Very high | 71 Ų | 71 | 97.5 Ų | 97.5 | 38% | 0.38 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.1 | -37.1 | 175.5 | -153.7 | -89.4 | 0 | 0 | 0 | 111.3 | L371 L378 R379 | L371-N375 VanDerWaalsContact O-CB 3.26Å; L371-N375 WeakPolarHBondContact O-CB 3.32Å; L371-N375 PolarHBondContact O-N 3.15Å; N375-L378 PolarHBondContact O-N 3.3Å; N375-R379 WeakPolarHBondContact O-CB 3.47Å; N375-R379 VanDerWaalsContact O-CG 3.27Å; N375-R379 WeakPolarHBondContact O-CG 3.24Å; N375-R379 PolarHBondContact O-N 3.4Å; N375-R379 PolarHBondContact OD1-NE 2.93Å; N375-R379 PolarHBondContact OD1-NH2 2.84Å |
| 376 | K | 98.4 | Very high | 97.6 | Very high | 159 Ų | 159 | 99.8 Ų | 99.8 | 69% | 0.691 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.3 | -42.6 | 171.6 | -172.1 | 174.5 | -179.3 | 176.6 | 0 | 112.5 | E372 R373 E374 A380 | E372-K376 WeakPolarHBondContact O-CB 3.33Å; E372-K376 PolarHBondContact O-N 2.96Å; R373-K376 PolarHBondContact O-N 3.17Å; E374-K376 VanDerWaalsContact C-N 3.27Å; E374-K376 PolarHBondContact O-N 2.7Å; K376-A380 PolarHBondContact O-N 2.86Å; K376-A380 VanDerWaalsContact O-N 3.15Å |
| 377 | K | 98.4 | Very high | 97.7 | Very high | 135 Ų | 135 | 101.2 Ų | 101.2 | 59% | 0.587 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.8 | -47.7 | 174.2 | -68.7 | 169.3 | -173.7 | 173.4 | 0 | 111.6 | R373 E374 R379 A380 Q381 | R373-K377 WeakPolarHBondContact O-CG 3.4Å; R373-K377 PolarHBondContact O-N 3.36Å; E374-K377 WeakPolarHBondContact O-CB 3.15Å; E374-K377 PolarHBondContact O-N 3.18Å; E374-K377 VanDerWaalsContact O-N 3.09Å; K377-R379 PolarHBondContact O-N 3.49Å; K377-A380 WeakPolarHBondContact O-CB 3.33Å; K377-A380 PolarHBondContact O-N 2.67Å; K377-Q381 WeakPolarHBondContact O-CG 3.34Å; K377-Q381 PolarHBondContact O-N 3.16Å |
| 378 | L | 97.8 | Very high | 97.7 | Very high | 98 Ų | 98 | 97.9 Ų | 97.9 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | -179.9 | -69.8 | 170.5 | 0 | 0 | 0 | 111.9 | E374 N375 A380 Q381 V382 | E374-L378 WeakPolarHBondContact O-CG 3.41Å; E374-L378 PolarHBondContact O-N 3.42Å; N375-L378 PolarHBondContact O-N 3.3Å; L378-A380 VanDerWaalsContact C-N 3.35Å; L378-A380 PolarHBondContact O-N 2.8Å; L378-Q381 PolarHBondContact O-N 3.36Å; L378-V382 WeakPolarHBondContact O-CG2 3.48Å; L378-V382 PolarHBondContact O-N 3.01Å |
| 379 | R | 97.9 | Very high | 97.7 | Very high | 181 Ų | 181 | 98 Ų | 98 | 68% | 0.683 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.8 | -40.9 | 173.7 | -76 | 172.3 | -178.5 | 162.8 | 4.9 | 112.5 | N375 K377 G383 | N375-R379 WeakPolarHBondContact O-CB 3.47Å; N375-R379 VanDerWaalsContact O-CG 3.27Å; N375-R379 WeakPolarHBondContact O-CG 3.24Å; N375-R379 PolarHBondContact O-N 3.4Å; N375-R379 PolarHBondContact OD1-NE 2.93Å; N375-R379 PolarHBondContact OD1-NH2 2.84Å; K377-R379 PolarHBondContact O-N 3.49Å; R379-G383 PolarHBondContact O-N 3.04Å; R379-G383 VanDerWaalsContact O-N 3.11Å |
| 380 | A | 97.9 | Very high | 97.8 | Very high | 55 Ų | 55 | 96.6 Ų | 96.6 | 46% | 0.455 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.5 | -49.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | K376 K377 L378 V382 G383 D384 | K376-A380 PolarHBondContact O-N 2.86Å; K376-A380 VanDerWaalsContact O-N 3.15Å; K377-A380 WeakPolarHBondContact O-CB 3.33Å; K377-A380 PolarHBondContact O-N 2.67Å; L378-A380 VanDerWaalsContact C-N 3.35Å; L378-A380 PolarHBondContact O-N 2.8Å; A380-V382 VanDerWaalsContact C-N 3.31Å; A380-V382 PolarHBondContact O-N 2.82Å; A380-G383 CarbonylContact O-C 3.54Å; A380-G383 WeakPolarHBondContact O-CA 3.23Å; A380-G383 PolarHBondContact O-N 3Å; A380-D384 PolarHBondContact O-N 3.39Å |
| 381 | Q | 98.3 | Very high | 97.9 | Very high | 110 Ų | 110 | 100.9 Ų | 100.9 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.2 | -37.6 | 177.8 | -71.3 | 174.7 | -12.6 | 0 | 0 | 113.3 | K377 L378 D384 L385 | K377-Q381 WeakPolarHBondContact O-CG 3.34Å; K377-Q381 PolarHBondContact O-N 3.16Å; L378-Q381 PolarHBondContact O-N 3.36Å; Q381-D384 PolarHBondContact O-N 2.61Å; Q381-L385 WeakPolarHBondContact O-CB 3.44Å; Q381-L385 VanDerWaalsContact O-CG 3.25Å; Q381-L385 WeakPolarHBondContact O-CG 3.42Å; Q381-L385 PolarHBondContact O-N 3.07Å |
| 382 | V | 97.9 | Very high | 98 | Very high | 78 Ų | 78 | 103.9 Ų | 103.9 | 47% | 0.473 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 172.6 | 168.9 | 0 | 0 | 0 | 0 | 110.6 | L378 A380 L385 E386 | L378-V382 WeakPolarHBondContact O-CG2 3.48Å; L378-V382 PolarHBondContact O-N 3.01Å; A380-V382 VanDerWaalsContact C-N 3.31Å; A380-V382 PolarHBondContact O-N 2.82Å; V382-L385 PolarHBondContact O-N 3.21Å; V382-E386 HydrophobicContact CG1-CG 4.32Å; V382-E386 WeakPolarHBondContact O-CB 3.35Å; V382-E386 WeakPolarHBondContact O-CG 3.4Å; V382-E386 PolarHBondContact O-N 3.41Å |
| 383 | G | 97.9 | Very high | 98 | Very high | 29 Ų | 29 | 107.8 Ų | 107.8 | 30% | 0.299 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.8 | -48 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R379 A380 L385 E386 E387 | R379-G383 PolarHBondContact O-N 3.04Å; R379-G383 VanDerWaalsContact O-N 3.11Å; A380-G383 CarbonylContact O-C 3.54Å; A380-G383 WeakPolarHBondContact O-CA 3.23Å; A380-G383 PolarHBondContact O-N 3Å; G383-L385 VanDerWaalsContact C-N 3.3Å; G383-L385 PolarHBondContact O-N 3.02Å; G383-E386 PolarHBondContact O-N 2.92Å; G383-E387 WeakPolarHBondContact O-CB 3.49Å; G383-E387 PolarHBondContact O-N 3.41Å |
| 384 | D | 97.8 | Very high | 98 | Very high | 97 Ų | 97 | 109 Ų | 109 | 52% | 0.519 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.7 | -41.9 | 177.7 | -66.6 | -40.2 | 0 | 0 | 0 | 112 | A380 Q381 A388 | A380-D384 PolarHBondContact O-N 3.39Å; Q381-D384 PolarHBondContact O-N 2.61Å; D384-A388 VanDerWaalsContact O-CB 3.31Å; D384-A388 WeakPolarHBondContact O-CB 3.33Å; D384-A388 PolarHBondContact O-N 3.35Å |
| 385 | L | 97.9 | Very high | 97.9 | Very high | 113 Ų | 113 | 110 Ų | 110 | 59% | 0.592 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -73 | -40.4 | 178.4 | -71.2 | 171.4 | 0 | 0 | 0 | 112.5 | Q381 V382 G383 E387 A388 L389 | Q381-L385 WeakPolarHBondContact O-CB 3.44Å; Q381-L385 VanDerWaalsContact O-CG 3.25Å; Q381-L385 WeakPolarHBondContact O-CG 3.42Å; Q381-L385 PolarHBondContact O-N 3.07Å; V382-L385 PolarHBondContact O-N 3.21Å; G383-L385 VanDerWaalsContact C-N 3.3Å; G383-L385 PolarHBondContact O-N 3.02Å; L385-E387 VanDerWaalsContact C-N 3.35Å; L385-A388 PolarHBondContact O-N 3.38Å; L385-L389 WeakPolarHBondContact O-CB 3.47Å; L385-L389 VanDerWaalsContact O-CG 3.29Å; L385-L389 WeakPolarHBondContact O-CG 3.41Å; L385-L389 PolarHBondContact O-N 3.3Å |
| 386 | E | 97.9 | Very high | 97.9 | Very high | 130 Ų | 130 | 110.1 Ų | 110.1 | 61% | 0.607 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.2 | -41.5 | 174 | -76.8 | -174.4 | 173.9 | 0 | 0 | 111.3 | V382 G383 L389 A390 | V382-E386 HydrophobicContact CG1-CG 4.32Å; V382-E386 WeakPolarHBondContact O-CB 3.35Å; V382-E386 WeakPolarHBondContact O-CG 3.4Å; V382-E386 PolarHBondContact O-N 3.41Å; G383-E386 PolarHBondContact O-N 2.92Å; E386-L389 PolarHBondContact O-N 2.91Å; E386-A390 WeakPolarHBondContact O-CB 3.44Å; E386-A390 PolarHBondContact O-N 3.47Å |
| 387 | E | 97.9 | Very high | 97.9 | Very high | 113 Ų | 113 | 104.8 Ų | 104.8 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 172.5 | -78.4 | -160.2 | -179.8 | 0 | 0 | 113 | G383 L385 L389 A390 R391 | G383-E387 WeakPolarHBondContact O-CB 3.49Å; G383-E387 PolarHBondContact O-N 3.41Å; L385-E387 VanDerWaalsContact C-N 3.35Å; E387-L389 VanDerWaalsContact C-N 3.32Å; E387-L389 PolarHBondContact O-N 2.94Å; E387-A390 PolarHBondContact O-N 2.95Å; E387-R391 WeakPolarHBondContact O-CB 3.2Å; E387-R391 WeakPolarHBondContact O-CG 3.34Å; E387-R391 PolarHBondContact O-N 3.2Å; E387-R391 PolarHBondContact O-NE 2.83Å; E387-R391 IonicContact OE2-CZ 3.7Å; E387-R391 IonicContact OE2-NE 2.79Å; E387-R391 IonicContact OE2-NH2 3.81Å; E387-R391 PolarHBondContact OE2-NH2 3.44Å |
| 388 | A | 97.9 | Very high | 97.8 | Very high | 42 Ų | 42 | 101.8 Ų | 101.8 | 35% | 0.347 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | D384 L385 R391 R392 | D384-A388 VanDerWaalsContact O-CB 3.31Å; D384-A388 WeakPolarHBondContact O-CB 3.33Å; D384-A388 PolarHBondContact O-N 3.35Å; L385-A388 PolarHBondContact O-N 3.38Å; A388-R391 PolarHBondContact O-N 3.08Å; A388-R392 WeakPolarHBondContact O-CB 3.34Å; A388-R392 PolarHBondContact O-N 2.84Å |
| 389 | L | 97.8 | Very high | 97.8 | Very high | 91 Ų | 91 | 99.3 Ų | 99.3 | 48% | 0.476 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 172.8 | -72.8 | 170.9 | 0 | 0 | 0 | 112 | L385 E386 E387 R392 R393 | L385-L389 WeakPolarHBondContact O-CB 3.47Å; L385-L389 VanDerWaalsContact O-CG 3.29Å; L385-L389 WeakPolarHBondContact O-CG 3.41Å; L385-L389 PolarHBondContact O-N 3.3Å; E386-L389 PolarHBondContact O-N 2.91Å; E387-L389 VanDerWaalsContact C-N 3.32Å; E387-L389 PolarHBondContact O-N 2.94Å; L389-R392 PolarHBondContact O-N 3.31Å; L389-R393 WeakPolarHBondContact O-CB 3.49Å; L389-R393 VanDerWaalsContact O-CG 3.23Å; L389-R393 WeakPolarHBondContact O-CG 3.37Å; L389-R393 PolarHBondContact O-N 2.91Å |
| 390 | A | 97.8 | Very high | 97.8 | Very high | 29 Ų | 29 | 95.9 Ų | 95.9 | 24% | 0.24 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -65.6 | -43.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E386 E387 R393 R394 | E386-A390 WeakPolarHBondContact O-CB 3.44Å; E386-A390 PolarHBondContact O-N 3.47Å; E387-A390 PolarHBondContact O-N 2.95Å; A390-R393 PolarHBondContact O-N 3.46Å; A390-R394 WeakPolarHBondContact O-CG 3.39Å; A390-R394 PolarHBondContact O-N 3.36Å |
| 391 | R | 98.3 | Very high | 97.8 | Very high | 117 Ų | 117 | 97 Ų | 97 | 44% | 0.442 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.6 | -50.8 | 173.1 | -77.9 | 177.2 | -103.3 | 149.3 | -10.3 | 110.9 | E387 A388 R393 R394 Q395 | E387-R391 WeakPolarHBondContact O-CB 3.2Å; E387-R391 WeakPolarHBondContact O-CG 3.34Å; E387-R391 PolarHBondContact O-N 3.2Å; E387-R391 PolarHBondContact O-NE 2.83Å; E387-R391 IonicContact OE2-CZ 3.7Å; E387-R391 IonicContact OE2-NE 2.79Å; E387-R391 IonicContact OE2-NH2 3.81Å; E387-R391 PolarHBondContact OE2-NH2 3.44Å; A388-R391 PolarHBondContact O-N 3.08Å; R391-R393 PolarHBondContact O-N 3.4Å; R391-R394 PolarHBondContact O-N 3.24Å; R391-Q395 WeakPolarHBondContact O-CG 3.37Å; R391-Q395 PolarHBondContact O-N 2.72Å |
| 392 | R | 98 | Very high | 97.8 | Very high | 173 Ų | 173 | 95.6 Ų | 95.6 | 65% | 0.653 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.1 | -42.7 | 178 | -170.8 | 176.4 | 178.7 | -169.9 | -0 | 112.4 | A388 L389 Q395 T396 | A388-R392 WeakPolarHBondContact O-CB 3.34Å; A388-R392 PolarHBondContact O-N 2.84Å; L389-R392 PolarHBondContact O-N 3.31Å; R392-Q395 PolarHBondContact O-N 3.1Å; R392-T396 PolarHBondContact O-N 3.33Å; R392-T396 PolarHBondContact O-OG1 3.38Å |
| 393 | R | 97.8 | Very high | 97.8 | Very high | 185 Ų | 185 | 96.4 Ų | 96.4 | 70% | 0.698 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.4 | -45.5 | 174.8 | -77.4 | 171.3 | -179.8 | 170.4 | 2.3 | 112.2 | L389 A390 R391 A397 | L389-R393 WeakPolarHBondContact O-CB 3.49Å; L389-R393 VanDerWaalsContact O-CG 3.23Å; L389-R393 WeakPolarHBondContact O-CG 3.37Å; L389-R393 PolarHBondContact O-N 2.91Å; A390-R393 PolarHBondContact O-N 3.46Å; R391-R393 PolarHBondContact O-N 3.4Å; R393-A397 WeakPolarHBondContact O-CB 3.36Å; R393-A397 PolarHBondContact O-N 3.42Å |
| 394 | R | 97.9 | Very high | 97.7 | Very high | 175 Ų | 175 | 99.4 Ų | 99.4 | 66% | 0.66 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.6 | -45.4 | 175.7 | -68.8 | 172.9 | -160.6 | 149 | 5.5 | 111.5 | A390 R391 A397 S398 | A390-R394 WeakPolarHBondContact O-CG 3.39Å; A390-R394 PolarHBondContact O-N 3.36Å; R391-R394 PolarHBondContact O-N 3.24Å; R394-A397 PolarHBondContact O-N 3.05Å; R394-S398 WeakPolarHBondContact O-CB 3.38Å; R394-S398 PolarHBondContact O-N 2.89Å; R394-S398 PolarHBondContact O-OG 2.97Å; R394-S398 VanDerWaalsContact O-OG 3.1Å |
| 395 | Q | 97.5 | Very high | 97.7 | Very high | 128 Ų | 128 | 102.8 Ų | 102.8 | 60% | 0.598 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.3 | -50.1 | 177.8 | -73.2 | 168.1 | -29.2 | 0 | 0 | 111.7 | R391 R392 A397 S398 A399 | R391-Q395 WeakPolarHBondContact O-CG 3.37Å; R391-Q395 PolarHBondContact O-N 2.72Å; R392-Q395 PolarHBondContact O-N 3.1Å; Q395-A397 PolarHBondContact O-N 3.23Å; Q395-S398 WeakPolarHBondContact CA-OG 3.46Å; Q395-S398 PolarHBondContact O-N 2.86Å; Q395-S398 PolarHBondContact O-OG 3Å; Q395-A399 PolarHBondContact O-N 2.92Å |
| 396 | T | 97.3 | Very high | 97.7 | Very high | 74 Ų | 74 | 100.2 Ų | 100.2 | 45% | 0.454 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 177 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | R392 A399 L400 | R392-T396 PolarHBondContact O-N 3.33Å; R392-T396 PolarHBondContact O-OG1 3.38Å; T396-A399 PolarHBondContact O-N 2.75Å; T396-L400 HydrophobicContact CG2-CD1 4.1Å; T396-L400 WeakPolarHBondContact O-CG 3.16Å; T396-L400 PolarHBondContact O-N 3.28Å; T396-L400 VanDerWaalsContact O-N 3.07Å |
| 397 | A | 97.5 | Very high | 97.7 | Very high | 47 Ų | 47 | 97.1 Ų | 97.1 | 39% | 0.388 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.6 | -47.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R393 R394 Q395 A399 L400 D401 | R393-A397 WeakPolarHBondContact O-CB 3.36Å; R393-A397 PolarHBondContact O-N 3.42Å; R394-A397 PolarHBondContact O-N 3.05Å; Q395-A397 PolarHBondContact O-N 3.23Å; A397-A399 VanDerWaalsContact C-N 3.3Å; A397-A399 PolarHBondContact O-N 2.71Å; A397-L400 PolarHBondContact O-N 3.1Å; A397-D401 WeakPolarHBondContact O-CB 3.17Å; A397-D401 PolarHBondContact O-N 2.83Å |
| 398 | S | 97.6 | Very high | 97.6 | Very high | 72 Ų | 72 | 97 Ų | 97 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.4 | -29.3 | 179.2 | 58.9 | 0 | 0 | 0 | 0 | 114.1 | R394 Q395 C402 | R394-S398 WeakPolarHBondContact O-CB 3.38Å; R394-S398 PolarHBondContact O-N 2.89Å; R394-S398 PolarHBondContact O-OG 2.97Å; R394-S398 VanDerWaalsContact O-OG 3.1Å; Q395-S398 WeakPolarHBondContact CA-OG 3.46Å; Q395-S398 PolarHBondContact O-N 2.86Å; Q395-S398 PolarHBondContact O-OG 3Å; S398-C402 WeakPolarHBondContact O-CB 3.4Å; S398-C402 PolarHBondContact O-N 3.09Å |
| 399 | A | 97.6 | Very high | 97.6 | Very high | 47 Ų | 47 | 97.7 Ų | 97.7 | 39% | 0.388 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.8 | -51.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q395 T396 A397 D401 C402 D403 | Q395-A399 PolarHBondContact O-N 2.92Å; T396-A399 PolarHBondContact O-N 2.75Å; A397-A399 VanDerWaalsContact C-N 3.3Å; A397-A399 PolarHBondContact O-N 2.71Å; A399-D401 VanDerWaalsContact C-N 3.31Å; A399-D401 PolarHBondContact O-N 2.93Å; A399-C402 WeakPolarHBondContact O-CA 3.27Å; A399-C402 VanDerWaalsContact O-CB 3.31Å; A399-C402 WeakPolarHBondContact O-CB 3.32Å; A399-C402 PolarHBondContact O-N 3.4Å; A399-D403 PolarHBondContact O-N 3.49Å |
| 400 | L | 97.6 | Very high | 97.6 | Very high | 108 Ų | 108 | 96.1 Ų | 96.1 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61 | -37.3 | 177.8 | -67.2 | 171.4 | 0 | 0 | 0 | 112.6 | T396 A397 C402 L404 | T396-L400 HydrophobicContact CG2-CD1 4.1Å; T396-L400 WeakPolarHBondContact O-CG 3.16Å; T396-L400 PolarHBondContact O-N 3.28Å; T396-L400 VanDerWaalsContact O-N 3.07Å; A397-L400 PolarHBondContact O-N 3.1Å; L400-C402 VanDerWaalsContact C-N 3.3Å; L400-C402 PolarHBondContact O-N 2.86Å; L400-L404 WeakPolarHBondContact O-CB 3.47Å; L400-L404 PolarHBondContact O-N 3.18Å |
| 401 | D | 97.4 | Very high | 97.6 | Very high | 80 Ų | 80 | 100 Ų | 100 | 43% | 0.428 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.5 | -33.3 | 172.6 | -80.3 | -24.5 | 0 | 0 | 0 | 112.4 | A397 A399 R405 | A397-D401 WeakPolarHBondContact O-CB 3.17Å; A397-D401 PolarHBondContact O-N 2.83Å; A399-D401 VanDerWaalsContact C-N 3.31Å; A399-D401 PolarHBondContact O-N 2.93Å; D401-R405 WeakPolarHBondContact O-CD 3.4Å; D401-R405 WeakPolarHBondContact O-CG 3.39Å; D401-R405 PolarHBondContact O-N 3.4Å |
| 402 | C | 97.5 | Very high | 97.5 | Very high | 80 Ų | 80 | 101 Ų | 101 | 54% | 0.541 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -73.2 | -49.3 | 176.5 | -163.8 | 0 | 0 | 0 | 0 | 110.9 | S398 A399 L400 L404 R405 A406 | S398-C402 WeakPolarHBondContact O-CB 3.4Å; S398-C402 PolarHBondContact O-N 3.09Å; A399-C402 WeakPolarHBondContact O-CA 3.27Å; A399-C402 VanDerWaalsContact O-CB 3.31Å; A399-C402 WeakPolarHBondContact O-CB 3.32Å; A399-C402 PolarHBondContact O-N 3.4Å; L400-C402 VanDerWaalsContact C-N 3.3Å; L400-C402 PolarHBondContact O-N 2.86Å; C402-L404 VanDerWaalsContact C-N 3.29Å; C402-L404 PolarHBondContact O-N 3.41Å; C402-R405 PolarHBondContact O-N 3.23Å; C402-A406 WeakPolarHBondContact O-CB 3.42Å; C402-A406 PolarHBondContact O-N 3.09Å |
| 403 | D | 97.8 | Very high | 97.5 | Very high | 95 Ų | 95 | 96.7 Ų | 96.7 | 51% | 0.508 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.9 | -39.4 | 177.1 | -64.1 | -27.8 | 0 | 0 | 0 | 111.5 | A399 A406 S407 | A399-D403 PolarHBondContact O-N 3.49Å; D403-A406 PolarHBondContact O-N 2.9Å; D403-S407 VanDerWaalsContact O-CB 3.28Å; D403-S407 WeakPolarHBondContact O-CB 3.43Å; D403-S407 PolarHBondContact O-N 2.93Å; D403-S407 PolarHBondContact O-OG 3.39Å |
| 404 | L | 97.8 | Very high | 97.5 | Very high | 91 Ų | 91 | 93.6 Ų | 93.6 | 48% | 0.476 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 175.3 | 178.7 | 60.3 | 0 | 0 | 0 | 111.7 | L400 C402 S407 Q408 | L400-L404 WeakPolarHBondContact O-CB 3.47Å; L400-L404 PolarHBondContact O-N 3.18Å; C402-L404 VanDerWaalsContact C-N 3.29Å; C402-L404 PolarHBondContact O-N 3.41Å; L404-S407 PolarHBondContact O-N 3.02Å; L404-Q408 HydrophobicContact CD1-CG 4.34Å; L404-Q408 WeakPolarHBondContact O-CB 3.46Å; L404-Q408 VanDerWaalsContact O-CG 3.23Å; L404-Q408 WeakPolarHBondContact O-CG 3.35Å; L404-Q408 PolarHBondContact O-N 3.4Å |
| 405 | R | 97.8 | Very high | 97.5 | Very high | 168 Ų | 168 | 90.1 Ų | 90.1 | 63% | 0.634 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.5 | -41.1 | 176.8 | -71.4 | 170.1 | -160.3 | -179.5 | 8.2 | 112 | D401 C402 Q408 A409 | D401-R405 WeakPolarHBondContact O-CD 3.4Å; D401-R405 WeakPolarHBondContact O-CG 3.39Å; D401-R405 PolarHBondContact O-N 3.4Å; C402-R405 PolarHBondContact O-N 3.23Å; R405-Q408 PolarHBondContact O-N 2.85Å; R405-A409 WeakPolarHBondContact O-CB 3.4Å; R405-A409 PolarHBondContact O-N 3.26Å |
| 406 | A | 97.1 | Very high | 97.5 | Very high | 60 Ų | 60 | 88.7 Ų | 88.7 | 50% | 0.496 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | C402 D403 A409 A410 | C402-A406 WeakPolarHBondContact O-CB 3.42Å; C402-A406 PolarHBondContact O-N 3.09Å; D403-A406 PolarHBondContact O-N 2.9Å; A406-A409 PolarHBondContact O-N 3.26Å; A406-A410 WeakPolarHBondContact O-CB 3.49Å; A406-A410 PolarHBondContact O-N 3.46Å |
| 407 | S | 96.9 | Very high | 97.5 | Very high | 65 Ų | 65 | 89 Ų | 89 | 46% | 0.455 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | 175.5 | -59 | 0 | 0 | 0 | 0 | 112.2 | D403 L404 A410 L411 | D403-S407 VanDerWaalsContact O-CB 3.28Å; D403-S407 WeakPolarHBondContact O-CB 3.43Å; D403-S407 PolarHBondContact O-N 2.93Å; D403-S407 PolarHBondContact O-OG 3.39Å; L404-S407 PolarHBondContact O-N 3.02Å; S407-A410 PolarHBondContact O-N 3.37Å; S407-L411 WeakPolarHBondContact O-CB 3.31Å; S407-L411 VanDerWaalsContact O-CG 3.26Å; S407-L411 WeakPolarHBondContact O-CG 3.35Å; S407-L411 PolarHBondContact O-N 2.97Å |
| 408 | Q | 97.6 | Very high | 97.5 | Very high | 109 Ų | 109 | 90.8 Ų | 90.8 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 175.3 | -75.8 | 169.9 | -8 | 0 | 0 | 112 | L404 R405 L411 F412 | L404-Q408 HydrophobicContact CD1-CG 4.34Å; L404-Q408 WeakPolarHBondContact O-CB 3.46Å; L404-Q408 VanDerWaalsContact O-CG 3.23Å; L404-Q408 WeakPolarHBondContact O-CG 3.35Å; L404-Q408 PolarHBondContact O-N 3.4Å; R405-Q408 PolarHBondContact O-N 2.85Å; Q408-L411 PolarHBondContact O-N 2.85Å; Q408-F412 WeakPolarHBondContact O-CB 3.15Å; Q408-F412 PolarHBondContact O-N 3.44Å |
| 409 | A | 97.1 | Very high | 97.5 | Very high | 57 Ų | 57 | 89.9 Ų | 89.9 | 47% | 0.471 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | R405 A406 L411 F412 E413 | R405-A409 WeakPolarHBondContact O-CB 3.4Å; R405-A409 PolarHBondContact O-N 3.26Å; A406-A409 PolarHBondContact O-N 3.26Å; A409-L411 PolarHBondContact O-N 3.48Å; A409-F412 PolarHBondContact O-N 3.43Å; A409-E413 PolarHBondContact O-N 2.87Å |
| 410 | A | 97.4 | Very high | 97.5 | Very high | 59 Ų | 59 | 92 Ų | 92 | 49% | 0.488 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A406 S407 F412 K414 | A406-A410 WeakPolarHBondContact O-CB 3.49Å; A406-A410 PolarHBondContact O-N 3.46Å; S407-A410 PolarHBondContact O-N 3.37Å; A410-F412 VanDerWaalsContact C-N 3.35Å; A410-K414 WeakPolarHBondContact O-CB 3.47Å; A410-K414 VanDerWaalsContact O-CG 3.26Å; A410-K414 WeakPolarHBondContact O-CG 3.15Å; A410-K414 PolarHBondContact O-N 3.46Å |
| 411 | L | 97.7 | Very high | 97.5 | Very high | 110 Ų | 110 | 92.5 Ų | 92.5 | 58% | 0.576 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.6 | -36.3 | 173.9 | -75 | 168.7 | 0 | 0 | 0 | 112.3 | S407 Q408 A409 N415 | S407-L411 WeakPolarHBondContact O-CB 3.31Å; S407-L411 VanDerWaalsContact O-CG 3.26Å; S407-L411 WeakPolarHBondContact O-CG 3.35Å; S407-L411 PolarHBondContact O-N 2.97Å; Q408-L411 PolarHBondContact O-N 2.85Å; A409-L411 PolarHBondContact O-N 3.48Å; L411-N415 WeakPolarHBondContact O-CB 3.35Å; L411-N415 PolarHBondContact O-N 2.82Å; L411-N415 PolarHBondContact O-ND2 3.48Å |
| 412 | F | 97.6 | Very high | 97.5 | Very high | 139 Ų | 139 | 95.6 Ų | 95.6 | 61% | 0.61 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.8 | -50.2 | 176.4 | -177.2 | -94.4 | 0 | 0 | 0 | 111.6 | Q408 A409 A410 K414 N415 K416 | Q408-F412 WeakPolarHBondContact O-CB 3.15Å; Q408-F412 PolarHBondContact O-N 3.44Å; A409-F412 PolarHBondContact O-N 3.43Å; A410-F412 VanDerWaalsContact C-N 3.35Å; F412-K414 VanDerWaalsContact C-N 3.34Å; F412-K414 PolarHBondContact O-N 3.45Å; F412-N415 PolarHBondContact O-N 2.86Å; F412-K416 PolarHBondContact O-N 2.9Å |
| 413 | E | 97.7 | Very high | 97.5 | Very high | 82 Ų | 82 | 98.1 Ų | 98.1 | 38% | 0.383 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -37.8 | 176.8 | -73.8 | -63.7 | 137.3 | 0 | 0 | 112 | A409 N415 K416 E417 | A409-E413 PolarHBondContact O-N 2.87Å; E413-N415 PolarHBondContact O-N 3.28Å; E413-K416 WeakPolarHBondContact O-CB 3.28Å; E413-K416 PolarHBondContact O-N 3.09Å; E413-K416 IonicContact OE1-NZ 3.99Å; E413-K416 PolarHBondContact OE1-NZ 3.34Å; E413-K416 IonicContact OE2-NZ 2.71Å; E413-K416 PolarHBondContact OE2-NZ 3.49Å; E413-E417 WeakPolarHBondContact O-CG 3.46Å; E413-E417 PolarHBondContact O-N 3.3Å |
| 414 | K | 96.9 | Very high | 97.5 | Very high | 119 Ų | 119 | 97.6 Ų | 97.6 | 52% | 0.517 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.5 | -33.7 | 173.8 | -69.3 | -69.2 | 167.2 | -134.9 | 0 | 113.6 | A410 F412 E417 L418 | A410-K414 WeakPolarHBondContact O-CB 3.47Å; A410-K414 VanDerWaalsContact O-CG 3.26Å; A410-K414 WeakPolarHBondContact O-CG 3.15Å; A410-K414 PolarHBondContact O-N 3.46Å; F412-K414 VanDerWaalsContact C-N 3.34Å; F412-K414 PolarHBondContact O-N 3.45Å; K414-E417 WeakPolarHBondContact CD-OE2 3.5Å; K414-E417 IonicContact NZ-OE1 2.7Å; K414-E417 PolarHBondContact NZ-OE1 2.86Å; K414-E417 IonicContact NZ-OE2 3.32Å; K414-E417 PolarHBondContact NZ-OE2 2.99Å; K414-L418 VanDerWaalsContact O-CB 3.23Å; K414-L418 WeakPolarHBondContact O-CB 3.43Å; K414-L418 PolarHBondContact O-N 2.87Å |
| 415 | N | 97.6 | Very high | 97.5 | Very high | 103 Ų | 103 | 99.3 Ų | 99.3 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.9 | -34.7 | 172.4 | -81 | -60.1 | 0 | 0 | 0 | 112.4 | L411 F412 E413 L418 A419 | L411-N415 WeakPolarHBondContact O-CB 3.35Å; L411-N415 PolarHBondContact O-N 2.82Å; L411-N415 PolarHBondContact O-ND2 3.48Å; F412-N415 PolarHBondContact O-N 2.86Å; E413-N415 PolarHBondContact O-N 3.28Å; N415-L418 PolarHBondContact O-N 3.49Å; N415-A419 PolarHBondContact O-N 2.83Å |
| 416 | K | 98.2 | Very high | 97.5 | Very high | 97 Ų | 97 | 92.9 Ų | 92.9 | 42% | 0.422 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.3 | -50 | 174.6 | 171.3 | 179.5 | 155.4 | -142.2 | 0 | 111.7 | F412 E413 L418 A419 D420 | F412-K416 PolarHBondContact O-N 2.9Å; E413-K416 WeakPolarHBondContact O-CB 3.28Å; E413-K416 PolarHBondContact O-N 3.09Å; E413-K416 IonicContact OE1-NZ 3.99Å; E413-K416 PolarHBondContact OE1-NZ 3.34Å; E413-K416 IonicContact OE2-NZ 2.71Å; E413-K416 PolarHBondContact OE2-NZ 3.49Å; K416-L418 PolarHBondContact O-N 2.65Å; K416-A419 WeakPolarHBondContact O-CA 3.17Å; K416-A419 WeakPolarHBondContact O-CB 3.37Å; K416-A419 PolarHBondContact O-N 2.75Å; K416-D420 PolarHBondContact O-N 3.34Å |
| 417 | E | 97.6 | Very high | 97.5 | Very high | 81 Ų | 81 | 95.2 Ų | 95.2 | 38% | 0.379 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -51.9 | -42.6 | 170.4 | -74.4 | 172.9 | -146.2 | 0 | 0 | 111.9 | E413 K414 D420 L421 | E413-E417 WeakPolarHBondContact O-CG 3.46Å; E413-E417 PolarHBondContact O-N 3.3Å; K414-E417 WeakPolarHBondContact CD-OE2 3.5Å; K414-E417 IonicContact NZ-OE1 2.7Å; K414-E417 PolarHBondContact NZ-OE1 2.86Å; K414-E417 IonicContact NZ-OE2 3.32Å; K414-E417 PolarHBondContact NZ-OE2 2.99Å; E417-D420 PolarHBondContact O-N 2.85Å; E417-L421 WeakPolarHBondContact O-CB 3.43Å; E417-L421 VanDerWaalsContact O-CG 3.26Å; E417-L421 WeakPolarHBondContact O-CG 3.46Å; E417-L421 PolarHBondContact O-N 3.48Å |
| 418 | L | 97.1 | Very high | 97.6 | Very high | 84 Ų | 84 | 97.3 Ų | 97.3 | 44% | 0.44 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.6 | -35.2 | 178.7 | -167 | 159.5 | 0 | 0 | 0 | 112 | K414 N415 K416 K422 | K414-L418 VanDerWaalsContact O-CB 3.23Å; K414-L418 WeakPolarHBondContact O-CB 3.43Å; K414-L418 PolarHBondContact O-N 2.87Å; N415-L418 PolarHBondContact O-N 3.49Å; K416-L418 PolarHBondContact O-N 2.65Å; L418-K422 HydrophobicContact CD2-CD 3.83Å; L418-K422 HydrophobicContact CD2-CG 4.42Å; L418-K422 WeakPolarHBondContact O-CB 3.44Å; L418-K422 VanDerWaalsContact O-CG 3.32Å; L418-K422 WeakPolarHBondContact O-CG 3.32Å; L418-K422 PolarHBondContact O-N 3.5Å |
| 419 | A | 97.5 | Very high | 97.6 | Very high | 54 Ų | 54 | 97.8 Ų | 97.8 | 45% | 0.446 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.9 | -42.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N415 K416 K422 H423 | N415-A419 PolarHBondContact O-N 2.83Å; K416-A419 WeakPolarHBondContact O-CA 3.17Å; K416-A419 WeakPolarHBondContact O-CB 3.37Å; K416-A419 PolarHBondContact O-N 2.75Å; A419-K422 WeakPolarHBondContact O-CB 3.22Å; A419-K422 PolarHBondContact O-N 3.18Å; A419-H423 PolarHBondContact O-N 2.92Å |
| 420 | D | 97.6 | Very high | 97.6 | Very high | 91 Ų | 91 | 101.5 Ų | 101.5 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 176.1 | -70 | -35.7 | 0 | 0 | 0 | 111.3 | K416 E417 K422 H423 V424 | K416-D420 PolarHBondContact O-N 3.34Å; E417-D420 PolarHBondContact O-N 2.85Å; D420-K422 PolarHBondContact O-N 3.36Å; D420-H423 WeakPolarHBondContact O-CB 3.35Å; D420-H423 PolarHBondContact O-N 3.31Å; D420-H423 VanDerWaalsContact O-N 3.12Å; D420-V424 WeakPolarHBondContact O-CG2 3.45Å; D420-V424 PolarHBondContact O-N 2.86Å |
| 421 | L | 97.3 | Very high | 97.6 | Very high | 119 Ų | 119 | 103.8 Ų | 103.8 | 62% | 0.623 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.3 | -40.6 | 173.5 | -75.2 | 169.8 | 0 | 0 | 0 | 112.3 | E417 H423 V424 H425 | E417-L421 WeakPolarHBondContact O-CB 3.43Å; E417-L421 VanDerWaalsContact O-CG 3.26Å; E417-L421 WeakPolarHBondContact O-CG 3.46Å; E417-L421 PolarHBondContact O-N 3.48Å; L421-H423 VanDerWaalsContact C-N 3.32Å; L421-H423 PolarHBondContact O-N 2.94Å; L421-V424 PolarHBondContact O-N 2.97Å; L421-H425 VanDerWaalsContact O-CB 3.26Å; L421-H425 WeakPolarHBondContact O-CB 3.32Å; L421-H425 PolarHBondContact O-N 2.87Å |
| 422 | K | 97.7 | Very high | 97.6 | Very high | 145 Ų | 145 | 105.2 Ų | 105.2 | 63% | 0.63 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.1 | -40.8 | 171.9 | -81 | 170.6 | 175.3 | 166.4 | 0 | 111.8 | L418 A419 D420 G426 | L418-K422 HydrophobicContact CD2-CD 3.83Å; L418-K422 HydrophobicContact CD2-CG 4.42Å; L418-K422 WeakPolarHBondContact O-CB 3.44Å; L418-K422 VanDerWaalsContact O-CG 3.32Å; L418-K422 WeakPolarHBondContact O-CG 3.32Å; L418-K422 PolarHBondContact O-N 3.5Å; A419-K422 WeakPolarHBondContact O-CB 3.22Å; A419-K422 PolarHBondContact O-N 3.18Å; D420-K422 PolarHBondContact O-N 3.36Å; K422-G426 PolarHBondContact O-N 3.29Å |
| 423 | H | 97.9 | Very high | 97.6 | Very high | 132 Ų | 132 | 104 Ų | 104 | 61% | 0.611 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.2 | -43.4 | 178.7 | -176.6 | 60.1 | 0 | 0 | 0 | 112.2 | A419 D420 L421 G426 K427 | A419-H423 PolarHBondContact O-N 2.92Å; D420-H423 WeakPolarHBondContact O-CB 3.35Å; D420-H423 PolarHBondContact O-N 3.31Å; D420-H423 VanDerWaalsContact O-N 3.12Å; L421-H423 VanDerWaalsContact C-N 3.32Å; L421-H423 PolarHBondContact O-N 2.94Å; H423-G426 PolarHBondContact O-N 3.33Å; H423-K427 PolarHBondContact O-N 2.97Å |
| 424 | V | 97.9 | Very high | 97.5 | Very high | 85 Ų | 85 | 105.1 Ų | 105.1 | 52% | 0.515 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -45.4 | 174.5 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | D420 L421 G426 K427 L428 | D420-V424 WeakPolarHBondContact O-CG2 3.45Å; D420-V424 PolarHBondContact O-N 2.86Å; L421-V424 PolarHBondContact O-N 2.97Å; V424-G426 VanDerWaalsContact C-N 3.3Å; V424-G426 PolarHBondContact O-N 3.44Å; V424-K427 WeakPolarHBondContact O-CB 3.45Å; V424-K427 PolarHBondContact O-N 3.32Å; V424-L428 WeakPolarHBondContact O-CB 3.45Å; V424-L428 PolarHBondContact O-N 3.36Å |
| 425 | H | 97.3 | Very high | 97.6 | Very high | 127 Ų | 127 | 104.7 Ų | 104.7 | 59% | 0.588 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.2 | -41.1 | 173.6 | 178.4 | 82.1 | 0 | 0 | 0 | 111.7 | L421 K427 L428 K429 | L421-H425 VanDerWaalsContact O-CB 3.26Å; L421-H425 WeakPolarHBondContact O-CB 3.32Å; L421-H425 PolarHBondContact O-N 2.87Å; H425-K427 PolarHBondContact O-N 3.26Å; H425-L428 PolarHBondContact O-N 2.98Å; H425-K429 VanDerWaalsContact O-CB 3.26Å; H425-K429 WeakPolarHBondContact O-CB 3.47Å; H425-K429 PolarHBondContact O-N 2.89Å |
| 426 | G | 97.9 | Very high | 97.6 | Very high | 32 Ų | 32 | 103.2 Ų | 103.2 | 33% | 0.33 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.9 | -39.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | K422 H423 V424 K430 | K422-G426 PolarHBondContact O-N 3.29Å; H423-G426 PolarHBondContact O-N 3.33Å; V424-G426 VanDerWaalsContact C-N 3.3Å; V424-G426 PolarHBondContact O-N 3.44Å; G426-K430 PolarHBondContact O-N 2.86Å |
| 427 | K | 98 | Very high | 97.5 | Very high | 110 Ų | 110 | 100.9 Ų | 100.9 | 48% | 0.478 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.5 | -50.7 | 172.5 | -74.6 | 173.2 | 174.2 | 166.1 | 0 | 111.6 | H423 V424 H425 K429 K430 Q431 | H423-K427 PolarHBondContact O-N 2.97Å; V424-K427 WeakPolarHBondContact O-CB 3.45Å; V424-K427 PolarHBondContact O-N 3.32Å; H425-K427 PolarHBondContact O-N 3.26Å; K427-K429 VanDerWaalsContact C-N 3.28Å; K427-K429 PolarHBondContact O-N 3.32Å; K427-K430 WeakPolarHBondContact O-CB 3.4Å; K427-K430 PolarHBondContact O-N 3.46Å; K427-K430 VanDerWaalsContact O-N 3.08Å; K427-Q431 PolarHBondContact O-N 2.86Å |
| 428 | L | 97.6 | Very high | 97.5 | Very high | 108 Ų | 108 | 101.7 Ų | 101.7 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.4 | -35.3 | -177.6 | -161.6 | 72.1 | 0 | 0 | 0 | 111.7 | V424 H425 Q431 F432 | V424-L428 WeakPolarHBondContact O-CB 3.45Å; V424-L428 PolarHBondContact O-N 3.36Å; H425-L428 PolarHBondContact O-N 2.98Å; L428-Q431 PolarHBondContact O-N 2.94Å; L428-F432 WeakPolarHBondContact O-CB 3.23Å; L428-F432 PolarHBondContact O-N 3.09Å |
| 429 | K | 98.1 | Very high | 97.5 | Very high | 120 Ų | 120 | 102.9 Ų | 102.9 | 52% | 0.522 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | 173 | -176.3 | 174.8 | -179.4 | 177 | 0 | 112.6 | H425 K427 Q433 | H425-K429 VanDerWaalsContact O-CB 3.26Å; H425-K429 WeakPolarHBondContact O-CB 3.47Å; H425-K429 PolarHBondContact O-N 2.89Å; K427-K429 VanDerWaalsContact C-N 3.28Å; K427-K429 PolarHBondContact O-N 3.32Å; K429-Q433 VanDerWaalsContact O-CG 3.32Å; K429-Q433 WeakPolarHBondContact O-CG 3.28Å; K429-Q433 PolarHBondContact O-N 3.4Å |
| 430 | K | 97.9 | Very high | 97.4 | Very high | 134 Ų | 134 | 102.1 Ų | 102.1 | 58% | 0.583 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.6 | -49 | 174 | -74.1 | -177.7 | 171.5 | -168.7 | 0 | 111.4 | G426 K427 F432 Q433 E434 | G426-K430 PolarHBondContact O-N 2.86Å; K427-K430 WeakPolarHBondContact O-CB 3.4Å; K427-K430 PolarHBondContact O-N 3.46Å; K427-K430 VanDerWaalsContact O-N 3.08Å; K430-F432 VanDerWaalsContact C-N 3.26Å; K430-F432 PolarHBondContact O-N 3.22Å; K430-Q433 CarbonylContact O-C 3.56Å; K430-Q433 WeakPolarHBondContact O-CA 3.49Å; K430-Q433 WeakPolarHBondContact O-CB 3.47Å; K430-Q433 PolarHBondContact O-N 2.84Å; K430-E434 WeakPolarHBondContact O-CG 3.29Å; K430-E434 PolarHBondContact O-N 3.28Å |
| 431 | Q | 97 | Very high | 97.4 | Very high | 108 Ų | 108 | 102.9 Ų | 102.9 | 51% | 0.505 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.9 | -38 | 176.2 | -69.8 | 177.8 | -38.1 | 0 | 0 | 112.5 | K427 L428 E434 K435 | K427-Q431 PolarHBondContact O-N 2.86Å; L428-Q431 PolarHBondContact O-N 2.94Å; Q431-E434 WeakPolarHBondContact CA-OE2 3.49Å; Q431-E434 PolarHBondContact O-N 3.18Å; Q431-K435 WeakPolarHBondContact O-CG 3.47Å; Q431-K435 PolarHBondContact O-N 2.96Å |
| 432 | F | 96.6 | Very high | 97.3 | Very high | 139 Ų | 139 | 98.6 Ų | 98.6 | 61% | 0.61 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.1 | -42.8 | 172.9 | -179.1 | -99.1 | 0 | 0 | 0 | 112.3 | L428 K430 K435 V436 | L428-F432 WeakPolarHBondContact O-CB 3.23Å; L428-F432 PolarHBondContact O-N 3.09Å; K430-F432 VanDerWaalsContact C-N 3.26Å; K430-F432 PolarHBondContact O-N 3.22Å; F432-K435 PolarHBondContact O-N 2.95Å; F432-V436 HydrophobicContact CD1-CG2 4.16Å; F432-V436 HydrophobicContact CE1-CG2 3.73Å; F432-V436 HydrophobicContact CE2-CG2 4.21Å; F432-V436 HydrophobicContact CZ-CG2 3.76Å; F432-V436 WeakPolarHBondContact O-CB 3.41Å; F432-V436 VanDerWaalsContact O-CG2 3.3Å; F432-V436 WeakPolarHBondContact O-CG2 3.45Å; F432-V436 PolarHBondContact O-N 3.31Å |
| 433 | Q | 97.7 | Very high | 97.3 | Very high | 114 Ų | 114 | 96.1 Ų | 96.1 | 53% | 0.533 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 175.4 | -72.1 | 174.9 | -48.1 | 0 | 0 | 112.3 | K429 K430 V436 A437 | K429-Q433 VanDerWaalsContact O-CG 3.32Å; K429-Q433 WeakPolarHBondContact O-CG 3.28Å; K429-Q433 PolarHBondContact O-N 3.4Å; K430-Q433 CarbonylContact O-C 3.56Å; K430-Q433 WeakPolarHBondContact O-CA 3.49Å; K430-Q433 WeakPolarHBondContact O-CB 3.47Å; K430-Q433 PolarHBondContact O-N 2.84Å; Q433-V436 PolarHBondContact O-N 2.89Å; Q433-A437 PolarHBondContact O-N 2.99Å |
| 434 | E | 97.3 | Very high | 97.3 | Very high | 105 Ų | 105 | 96 Ų | 96 | 49% | 0.491 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.1 | -48.7 | 173 | -70.1 | 152.3 | -158 | 0 | 0 | 110.7 | K430 Q431 V436 A437 E438 | K430-E434 WeakPolarHBondContact O-CG 3.29Å; K430-E434 PolarHBondContact O-N 3.28Å; Q431-E434 WeakPolarHBondContact CA-OE2 3.49Å; Q431-E434 PolarHBondContact O-N 3.18Å; E434-V436 PolarHBondContact O-N 3.13Å; E434-A437 WeakPolarHBondContact O-CB 3.4Å; E434-A437 PolarHBondContact O-N 3.43Å; E434-E438 PolarHBondContact O-N 3.26Å |
| 435 | K | 97.1 | Very high | 97.2 | Very high | 111 Ų | 111 | 98.7 Ų | 98.7 | 48% | 0.483 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.9 | -33.1 | 176.8 | -67.3 | -57.8 | 176.4 | -152.8 | 0 | 114.1 | Q431 F432 A437 E438 L439 | Q431-K435 WeakPolarHBondContact O-CG 3.47Å; Q431-K435 PolarHBondContact O-N 2.96Å; F432-K435 PolarHBondContact O-N 2.95Å; K435-A437 VanDerWaalsContact C-N 3.33Å; K435-E438 VanDerWaalsContact CD-OE2 3.31Å; K435-E438 WeakPolarHBondContact CD-OE2 3.26Å; K435-E438 IonicContact NZ-OE1 3.16Å; K435-E438 PolarHBondContact NZ-OE1 3.2Å; K435-E438 IonicContact NZ-OE2 2.75Å; K435-E438 PolarHBondContact NZ-OE2 3.05Å; K435-E438 PolarHBondContact O-N 2.99Å; K435-L439 WeakPolarHBondContact O-CB 3.46Å; K435-L439 VanDerWaalsContact O-CG 3.27Å; K435-L439 WeakPolarHBondContact O-CG 3.27Å; K435-L439 PolarHBondContact O-N 2.86Å |
| 436 | V | 97.8 | Very high | 97.1 | Very high | 72 Ų | 72 | 96.5 Ų | 96.5 | 44% | 0.436 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.1 | -38.1 | 170.9 | 167.1 | 0 | 0 | 0 | 0 | 111.1 | F432 Q433 E434 A440 | F432-V436 HydrophobicContact CD1-CG2 4.16Å; F432-V436 HydrophobicContact CE1-CG2 3.73Å; F432-V436 HydrophobicContact CE2-CG2 4.21Å; F432-V436 HydrophobicContact CZ-CG2 3.76Å; F432-V436 WeakPolarHBondContact O-CB 3.41Å; F432-V436 VanDerWaalsContact O-CG2 3.3Å; F432-V436 WeakPolarHBondContact O-CG2 3.45Å; F432-V436 PolarHBondContact O-N 3.31Å; Q433-V436 PolarHBondContact O-N 2.89Å; E434-V436 PolarHBondContact O-N 3.13Å; V436-A440 WeakPolarHBondContact O-CB 3.46Å; V436-A440 PolarHBondContact O-N 2.89Å |
| 437 | A | 97.3 | Very high | 97 | Very high | 48 Ų | 48 | 100.6 Ų | 100.6 | 40% | 0.397 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.1 | -46.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q433 E434 K435 L439 A440 H441 | Q433-A437 PolarHBondContact O-N 2.99Å; E434-A437 WeakPolarHBondContact O-CB 3.4Å; E434-A437 PolarHBondContact O-N 3.43Å; K435-A437 VanDerWaalsContact C-N 3.33Å; A437-L439 VanDerWaalsContact C-N 3.33Å; A437-L439 PolarHBondContact O-N 2.73Å; A437-A440 PolarHBondContact O-N 3.35Å; A437-A440 VanDerWaalsContact O-N 3.13Å; A437-H441 PolarHBondContact O-CD2 2.87Å; A437-H441 PolarHBondContact O-N 3.43Å |
| 438 | E | 96.8 | Very high | 97 | Very high | 97 Ų | 97 | 101 Ų | 101 | 45% | 0.453 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -55.1 | -45.6 | 174.4 | -74.8 | 175.1 | -140.6 | 0 | 0 | 112.2 | E434 K435 H441 A442 | E434-E438 PolarHBondContact O-N 3.26Å; K435-E438 VanDerWaalsContact CD-OE2 3.31Å; K435-E438 WeakPolarHBondContact CD-OE2 3.26Å; K435-E438 IonicContact NZ-OE1 3.16Å; K435-E438 PolarHBondContact NZ-OE1 3.2Å; K435-E438 IonicContact NZ-OE2 2.75Å; K435-E438 PolarHBondContact NZ-OE2 3.05Å; K435-E438 PolarHBondContact O-N 2.99Å; E438-H441 PolarHBondContact O-N 3.27Å; E438-A442 WeakPolarHBondContact O-CB 3.31Å; E438-A442 PolarHBondContact O-N 3.35Å |
| 439 | L | 97.1 | Very high | 96.9 | Very high | 109 Ų | 109 | 100.9 Ų | 100.9 | 57% | 0.571 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.4 | -40.5 | 175.9 | -74.2 | 166.2 | 0 | 0 | 0 | 112 | K435 A437 H441 A442 N443 | K435-L439 WeakPolarHBondContact O-CB 3.46Å; K435-L439 VanDerWaalsContact O-CG 3.27Å; K435-L439 WeakPolarHBondContact O-CG 3.27Å; K435-L439 PolarHBondContact O-N 2.86Å; A437-L439 VanDerWaalsContact C-N 3.33Å; A437-L439 PolarHBondContact O-N 2.73Å; L439-H441 VanDerWaalsContact C-N 3.31Å; L439-H441 PolarHBondContact O-N 3.02Å; L439-A442 PolarHBondContact O-N 3.46Å; L439-N443 WeakPolarHBondContact O-CB 3.39Å; L439-N443 PolarHBondContact O-N 2.88Å; L439-N443 PolarHBondContact O-OD1 3.19Å |
| 440 | A | 96.5 | Very high | 96.8 | Very high | 38 Ų | 38 | 99.9 Ų | 99.9 | 31% | 0.314 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.7 | -34.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V436 A437 R444 | V436-A440 WeakPolarHBondContact O-CB 3.46Å; V436-A440 PolarHBondContact O-N 2.89Å; A437-A440 PolarHBondContact O-N 3.35Å; A437-A440 VanDerWaalsContact O-N 3.13Å; A440-R444 VanDerWaalsContact O-CG 3.31Å; A440-R444 WeakPolarHBondContact O-CG 3.34Å; A440-R444 PolarHBondContact O-N 2.9Å |
| 441 | H | 97.1 | Very high | 96.7 | Very high | 107 Ų | 107 | 96.2 Ų | 96.2 | 50% | 0.495 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71.7 | -36.7 | 171.7 | -79.3 | -80.5 | 0 | 0 | 0 | 112.5 | A437 E438 L439 R445 | A437-H441 PolarHBondContact O-CD2 2.87Å; A437-H441 PolarHBondContact O-N 3.43Å; E438-H441 PolarHBondContact O-N 3.27Å; L439-H441 VanDerWaalsContact C-N 3.31Å; L439-H441 PolarHBondContact O-N 3.02Å; H441-R445 PolarHBondContact O-N 3.08Å |
| 442 | A | 95.7 | Very high | 96.6 | Very high | 29 Ų | 29 | 96.1 Ų | 96.1 | 24% | 0.24 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -65.7 | -46.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E438 L439 R444 R445 V446 | E438-A442 WeakPolarHBondContact O-CB 3.31Å; E438-A442 PolarHBondContact O-N 3.35Å; L439-A442 PolarHBondContact O-N 3.46Å; A442-R444 VanDerWaalsContact C-N 3.33Å; A442-R444 PolarHBondContact O-N 3.06Å; A442-R445 WeakPolarHBondContact O-CB 3.28Å; A442-R445 PolarHBondContact O-N 3.43Å; A442-R445 VanDerWaalsContact O-N 3.08Å; A442-V446 PolarHBondContact O-N 3.41Å; A442-V446 VanDerWaalsContact O-N 3.08Å |
| 443 | N | 96.6 | Very high | 96.7 | Very high | 93 Ų | 93 | 92.7 Ų | 92.7 | 50% | 0.497 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.2 | -43.1 | 177.1 | -74.8 | 9.6 | 0 | 0 | 0 | 111.8 | L439 R445 V446 E447 | L439-N443 WeakPolarHBondContact O-CB 3.39Å; L439-N443 PolarHBondContact O-N 2.88Å; L439-N443 PolarHBondContact O-OD1 3.19Å; N443-R445 VanDerWaalsContact C-N 3.27Å; N443-R445 PolarHBondContact O-N 2.76Å; N443-V446 CarbonylContact O-C 3.51Å; N443-V446 WeakPolarHBondContact O-CA 3.39Å; N443-V446 WeakPolarHBondContact O-CB 3.21Å; N443-V446 PolarHBondContact O-N 2.72Å; N443-E447 WeakPolarHBondContact O-CG 3.31Å; N443-E447 PolarHBondContact O-N 2.73Å |
| 444 | R | 97.4 | Very high | 96.6 | Very high | 129 Ų | 129 | 92.5 Ų | 92.5 | 49% | 0.487 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.2 | -34.8 | 175.6 | -72.4 | 169.8 | -170.3 | 149.8 | 1.7 | 113.5 | A440 A442 Q448 | A440-R444 VanDerWaalsContact O-CG 3.31Å; A440-R444 WeakPolarHBondContact O-CG 3.34Å; A440-R444 PolarHBondContact O-N 2.9Å; A442-R444 VanDerWaalsContact C-N 3.33Å; A442-R444 PolarHBondContact O-N 3.06Å; R444-Q448 WeakPolarHBondContact O-CB 3.15Å; R444-Q448 WeakPolarHBondContact O-CG 3.46Å; R444-Q448 PolarHBondContact O-N 2.96Å; R444-Q448 PolarHBondContact O-OE1 3.02Å |
| 445 | R | 96.8 | Very high | 96.6 | Very high | 142 Ų | 142 | 95.2 Ų | 95.2 | 54% | 0.536 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.2 | -38.2 | 173.5 | -67.1 | -174.6 | -60.7 | -123.4 | -0.4 | 111.8 | H441 A442 N443 Q448 H449 | H441-R445 PolarHBondContact O-N 3.08Å; A442-R445 WeakPolarHBondContact O-CB 3.28Å; A442-R445 PolarHBondContact O-N 3.43Å; A442-R445 VanDerWaalsContact O-N 3.08Å; N443-R445 VanDerWaalsContact C-N 3.27Å; N443-R445 PolarHBondContact O-N 2.76Å; R445-Q448 PolarHBondContact O-N 3.41Å; R445-H449 PolarHBondContact O-CD2 3.37Å; R445-H449 PolarHBondContact O-N 3.39Å |
| 446 | V | 96.1 | Very high | 96.5 | Very high | 82 Ų | 82 | 95.5 Ų | 95.5 | 50% | 0.497 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 172.9 | 178.3 | 0 | 0 | 0 | 0 | 110.7 | A442 N443 Q448 H449 E450 | A442-V446 PolarHBondContact O-N 3.41Å; A442-V446 VanDerWaalsContact O-N 3.08Å; N443-V446 CarbonylContact O-C 3.51Å; N443-V446 WeakPolarHBondContact O-CA 3.39Å; N443-V446 WeakPolarHBondContact O-CB 3.21Å; N443-V446 PolarHBondContact O-N 2.72Å; V446-Q448 VanDerWaalsContact C-N 3.32Å; V446-Q448 PolarHBondContact O-N 3.17Å; V446-H449 PolarHBondContact O-N 2.93Å; V446-E450 WeakPolarHBondContact O-CB 3.27Å; V446-E450 WeakPolarHBondContact O-CG 3.37Å; V446-E450 PolarHBondContact O-N 2.88Å |
| 447 | E | 95.8 | Very high | 96.4 | Very high | 118 Ų | 118 | 99.9 Ų | 99.9 | 55% | 0.551 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.6 | -39.6 | 174.4 | -69.8 | 163.8 | -179.3 | 0 | 0 | 112.2 | N443 A451 | N443-E447 WeakPolarHBondContact O-CG 3.31Å; N443-E447 PolarHBondContact O-N 2.73Å; E447-A451 WeakPolarHBondContact O-CB 3.43Å; E447-A451 PolarHBondContact O-N 3.09Å |
| 448 | Q | 96.3 | Very high | 96.4 | Very high | 117 Ų | 117 | 102.3 Ų | 102.3 | 55% | 0.547 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.3 | -53.1 | 173.9 | -76 | 165.6 | -26.2 | 0 | 0 | 111.7 | R444 R445 V446 E450 A451 E452 | R444-Q448 WeakPolarHBondContact O-CB 3.15Å; R444-Q448 WeakPolarHBondContact O-CG 3.46Å; R444-Q448 PolarHBondContact O-N 2.96Å; R444-Q448 PolarHBondContact O-OE1 3.02Å; R445-Q448 PolarHBondContact O-N 3.41Å; V446-Q448 VanDerWaalsContact C-N 3.32Å; V446-Q448 PolarHBondContact O-N 3.17Å; Q448-E450 VanDerWaalsContact C-N 3.29Å; Q448-E450 PolarHBondContact O-N 2.94Å; Q448-A451 WeakPolarHBondContact O-CA 3.34Å; Q448-A451 WeakPolarHBondContact O-CB 3.44Å; Q448-A451 PolarHBondContact O-N 3.4Å; Q448-E452 WeakPolarHBondContact O-CG 3.26Å; Q448-E452 PolarHBondContact O-N 3.37Å |
| 449 | H | 95.8 | Very high | 96.3 | Very high | 107 Ų | 107 | 102.2 Ų | 102.2 | 50% | 0.495 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.4 | -33.1 | 178.2 | -64.2 | -40.9 | 0 | 0 | 0 | 112.6 | R445 V446 A451 E452 V453 | R445-H449 PolarHBondContact O-CD2 3.37Å; R445-H449 PolarHBondContact O-N 3.39Å; V446-H449 PolarHBondContact O-N 2.93Å; H449-A451 VanDerWaalsContact C-N 3.34Å; H449-E452 IonicContact CE1-OE2 3.21Å; H449-E452 IonicContact CG-OE2 3.66Å; H449-E452 IonicContact ND1-OE2 3.81Å; H449-E452 PolarHBondContact ND1-OE2 2.9Å; H449-E452 PolarHBondContact O-N 3.13Å; H449-V453 WeakPolarHBondContact O-CB 3.39Å; H449-V453 VanDerWaalsContact O-CG2 3.26Å; H449-V453 WeakPolarHBondContact O-CG2 3.47Å; H449-V453 PolarHBondContact O-N 3.44Å |
| 450 | E | 95.9 | Very high | 96.3 | Very high | 98 Ų | 98 | 100.4 Ų | 100.4 | 46% | 0.458 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 169.3 | -88.2 | -164.2 | -148.2 | 0 | 0 | 112.1 | V446 Q448 K454 | V446-E450 WeakPolarHBondContact O-CB 3.27Å; V446-E450 WeakPolarHBondContact O-CG 3.37Å; V446-E450 PolarHBondContact O-N 2.88Å; Q448-E450 VanDerWaalsContact C-N 3.29Å; Q448-E450 PolarHBondContact O-N 2.94Å; E450-K454 WeakPolarHBondContact O-CB 3.34Å; E450-K454 VanDerWaalsContact O-CD 3.25Å; E450-K454 WeakPolarHBondContact O-CD 3.25Å; E450-K454 WeakPolarHBondContact O-CG 3.46Å; E450-K454 PolarHBondContact O-N 2.93Å; E450-K454 IonicContact OE2-NZ 2.72Å; E450-K454 PolarHBondContact OE2-NZ 2.93Å |
| 451 | A | 95.8 | Very high | 96.2 | Very high | 57 Ų | 57 | 103.5 Ų | 103.5 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.3 | -38.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | E447 Q448 H449 K454 K455 | E447-A451 WeakPolarHBondContact O-CB 3.43Å; E447-A451 PolarHBondContact O-N 3.09Å; Q448-A451 WeakPolarHBondContact O-CA 3.34Å; Q448-A451 WeakPolarHBondContact O-CB 3.44Å; Q448-A451 PolarHBondContact O-N 3.4Å; H449-A451 VanDerWaalsContact C-N 3.34Å; A451-K454 PolarHBondContact O-N 2.86Å; A451-K455 WeakPolarHBondContact O-CB 3.47Å; A451-K455 PolarHBondContact O-N 3.03Å |
| 452 | E | 96 | Very high | 96.1 | Very high | 107 Ų | 107 | 102.6 Ų | 102.6 | 50% | 0.5 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.1 | -47.6 | 172.5 | -68.6 | 171.2 | 153.4 | 0 | 0 | 111.3 | Q448 H449 K454 K455 L456 | Q448-E452 WeakPolarHBondContact O-CG 3.26Å; Q448-E452 PolarHBondContact O-N 3.37Å; H449-E452 IonicContact CE1-OE2 3.21Å; H449-E452 IonicContact CG-OE2 3.66Å; H449-E452 IonicContact ND1-OE2 3.81Å; H449-E452 PolarHBondContact ND1-OE2 2.9Å; H449-E452 PolarHBondContact O-N 3.13Å; E452-K454 VanDerWaalsContact C-N 3.34Å; E452-K454 PolarHBondContact O-N 3.17Å; E452-K455 WeakPolarHBondContact O-CB 3.36Å; E452-K455 PolarHBondContact O-N 3.38Å; E452-L456 WeakPolarHBondContact O-CB 3.47Å; E452-L456 WeakPolarHBondContact O-CG 3.45Å; E452-L456 PolarHBondContact O-N 2.97Å |
| 453 | V | 97.2 | Very high | 96 | Very high | 66 Ų | 66 | 105.3 Ų | 105.3 | 40% | 0.4 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -39.1 | 175.3 | 167.9 | 0 | 0 | 0 | 0 | 111.6 | H449 L456 R457 | H449-V453 WeakPolarHBondContact O-CB 3.39Å; H449-V453 VanDerWaalsContact O-CG2 3.26Å; H449-V453 WeakPolarHBondContact O-CG2 3.47Å; H449-V453 PolarHBondContact O-N 3.44Å; V453-L456 PolarHBondContact O-N 3.46Å; V453-R457 WeakPolarHBondContact O-CB 3.44Å; V453-R457 VanDerWaalsContact O-CG 3.24Å; V453-R457 WeakPolarHBondContact O-CG 3.39Å; V453-R457 PolarHBondContact O-N 3.49Å |
| 454 | K | 97 | Very high | 95.9 | Very high | 110 Ų | 110 | 107.5 Ų | 107.5 | 48% | 0.478 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 173.6 | -73.1 | 158.2 | -165.6 | 162.4 | 0 | 111.2 | E450 A451 E452 R457 L458 | E450-K454 WeakPolarHBondContact O-CB 3.34Å; E450-K454 VanDerWaalsContact O-CD 3.25Å; E450-K454 WeakPolarHBondContact O-CD 3.25Å; E450-K454 WeakPolarHBondContact O-CG 3.46Å; E450-K454 PolarHBondContact O-N 2.93Å; E450-K454 IonicContact OE2-NZ 2.72Å; E450-K454 PolarHBondContact OE2-NZ 2.93Å; A451-K454 PolarHBondContact O-N 2.86Å; E452-K454 VanDerWaalsContact C-N 3.34Å; E452-K454 PolarHBondContact O-N 3.17Å; K454-R457 PolarHBondContact O-N 2.99Å; K454-L458 WeakPolarHBondContact O-CG 3.47Å; K454-L458 PolarHBondContact O-N 2.99Å; K454-L458 VanDerWaalsContact O-N 3.08Å |
| 455 | K | 97 | Very high | 95.8 | Very high | 162 Ų | 162 | 107.5 Ų | 107.5 | 70% | 0.704 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.9 | -43.8 | 175.4 | -175.8 | -175.4 | 176.2 | -172.5 | 0 | 112.4 | A451 E452 L458 R459 | A451-K455 WeakPolarHBondContact O-CB 3.47Å; A451-K455 PolarHBondContact O-N 3.03Å; E452-K455 WeakPolarHBondContact O-CB 3.36Å; E452-K455 PolarHBondContact O-N 3.38Å; K455-L458 PolarHBondContact O-N 3.33Å; K455-R459 PolarHBondContact O-N 2.92Å |
| 456 | L | 95.5 | Very high | 95.6 | Very high | 117 Ų | 117 | 104.7 Ų | 104.7 | 61% | 0.613 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.4 | -39.8 | 177.6 | -71.9 | 171.6 | 0 | 0 | 0 | 111.8 | E452 V453 R459 V460 | E452-L456 WeakPolarHBondContact O-CB 3.47Å; E452-L456 WeakPolarHBondContact O-CG 3.45Å; E452-L456 PolarHBondContact O-N 2.97Å; V453-L456 PolarHBondContact O-N 3.46Å; L456-R459 PolarHBondContact O-N 3.32Å; L456-V460 WeakPolarHBondContact O-CG2 3.4Å; L456-V460 PolarHBondContact O-N 3.19Å |
| 457 | R | 95.9 | Very high | 95.4 | Very high | 164 Ų | 164 | 105.5 Ų | 105.5 | 62% | 0.619 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.2 | -46.6 | 172.4 | -74.8 | 171.6 | -174.1 | -171.8 | 3.9 | 111.8 | V453 K454 R459 V460 E461 | V453-R457 WeakPolarHBondContact O-CB 3.44Å; V453-R457 VanDerWaalsContact O-CG 3.24Å; V453-R457 WeakPolarHBondContact O-CG 3.39Å; V453-R457 PolarHBondContact O-N 3.49Å; K454-R457 PolarHBondContact O-N 2.99Å; R457-R459 PolarHBondContact O-N 3.44Å; R457-V460 PolarHBondContact O-N 2.84Å; R457-E461 WeakPolarHBondContact O-CG 3.46Å; R457-E461 PolarHBondContact O-N 2.78Å |
| 458 | L | 96.1 | Very high | 95.3 | Very high | 99 Ų | 99 | 101.8 Ų | 101.8 | 52% | 0.518 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.5 | -42.9 | 175.3 | -70.6 | 171.2 | 0 | 0 | 0 | 112 | K454 K455 V460 E461 E462 | K454-L458 WeakPolarHBondContact O-CG 3.47Å; K454-L458 PolarHBondContact O-N 2.99Å; K454-L458 VanDerWaalsContact O-N 3.08Å; K455-L458 PolarHBondContact O-N 3.33Å; L458-V460 VanDerWaalsContact C-N 3.31Å; L458-V460 PolarHBondContact O-N 3.36Å; L458-E461 CarbonylContact O-C 3.6Å; L458-E461 WeakPolarHBondContact O-CB 3.32Å; L458-E461 PolarHBondContact O-N 2.9Å; L458-E461 VanDerWaalsContact O-N 3.1Å; L458-E462 WeakPolarHBondContact O-CG 3.47Å; L458-E462 PolarHBondContact O-N 2.96Å |
| 459 | R | 95.8 | Very high | 95.1 | Very high | 95 Ų | 95 | 101.9 Ų | 101.9 | 36% | 0.358 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.4 | -31.7 | 176.1 | -174.5 | 57.8 | -167.1 | 152.9 | 12.8 | 112.9 | K455 L456 R457 E462 L463 E466 | K455-R459 PolarHBondContact O-N 2.92Å; L456-R459 PolarHBondContact O-N 3.32Å; R457-R459 PolarHBondContact O-N 3.44Å; R459-E462 WeakPolarHBondContact CD-OE2 3.23Å; R459-E462 IonicContact CZ-OE2 3.61Å; R459-E462 IonicContact NE-OE2 3.07Å; R459-E462 IonicContact NH1-OE2 3.41Å; R459-E462 PolarHBondContact NH1-OE2 2.87Å; R459-E462 PolarHBondContact O-N 3.41Å; R459-L463 HydrophobicContact CG-CD1 4.17Å; R459-L463 HydrophobicContact CG-CG 4.5Å; R459-L463 WeakPolarHBondContact O-CB 3.42Å; R459-L463 VanDerWaalsContact O-CG 3.29Å; R459-L463 WeakPolarHBondContact O-CG 3.08Å; R459-L463 PolarHBondContact O-N 2.86Å; R459-E466 IonicContact CZ-OE1 3.5Å; R459-E466 VanDerWaalsContact CZ-OE1 3.32Å; R459-E466 IonicContact CZ-OE2 2.7Å; R459-E466 IonicContact NH1-OE1 2.61Å; R459-E466 PolarHBondContact NH1-OE1 3.1Å; R459-E466 IonicContact NH1-OE2 3.2Å; R459-E466 VanDerWaalsContact NH2-CD 3.31Å; R459-E466 IonicContact NH2-OE1 2.82Å; R459-E466 PolarHBondContact NH2-OE1 2.88Å; R459-E466 IonicContact NH2-OE2 3.98Å; R459-E466 PolarHBondContact NH2-OE2 3.37Å |
| 460 | V | 95.8 | Very high | 94.9 | Very high | 71 Ų | 71 | 99.2 Ų | 99.2 | 43% | 0.43 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.8 | -34.7 | 171 | 168.6 | 0 | 0 | 0 | 0 | 111.6 | L456 R457 L458 K464 | L456-V460 WeakPolarHBondContact O-CG2 3.4Å; L456-V460 PolarHBondContact O-N 3.19Å; R457-V460 PolarHBondContact O-N 2.84Å; L458-V460 VanDerWaalsContact C-N 3.31Å; L458-V460 PolarHBondContact O-N 3.36Å; V460-K464 HydrophobicContact CG1-CD 4.31Å; V460-K464 WeakPolarHBondContact O-CB 3.34Å; V460-K464 VanDerWaalsContact O-CG 3.23Å; V460-K464 WeakPolarHBondContact O-CG 3.35Å; V460-K464 PolarHBondContact O-N 3.12Å |
| 461 | E | 95.7 | Very high | 94.7 | Very high | 103 Ų | 103 | 99.9 Ų | 99.9 | 48% | 0.481 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -72.5 | -29 | 173.2 | -71.7 | 172.5 | -159.9 | 0 | 0 | 113.2 | R457 L458 K465 | R457-E461 WeakPolarHBondContact O-CG 3.46Å; R457-E461 PolarHBondContact O-N 2.78Å; L458-E461 CarbonylContact O-C 3.6Å; L458-E461 WeakPolarHBondContact O-CB 3.32Å; L458-E461 PolarHBondContact O-N 2.9Å; L458-E461 VanDerWaalsContact O-N 3.1Å; E461-K465 WeakPolarHBondContact O-CD 3.46Å; E461-K465 WeakPolarHBondContact O-CE 3.47Å; E461-K465 WeakPolarHBondContact O-CG 3.37Å |
| 462 | E | 93.4 | Very high | 94.6 | Very high | 89 Ų | 89 | 102.6 Ų | 102.6 | 42% | 0.416 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.5 | -53.5 | 168.4 | -70.3 | 167.7 | -172.7 | 0 | 0 | 111.1 | L458 R459 K464 K465 E466 | L458-E462 WeakPolarHBondContact O-CG 3.47Å; L458-E462 PolarHBondContact O-N 2.96Å; R459-E462 WeakPolarHBondContact CD-OE2 3.23Å; R459-E462 IonicContact CZ-OE2 3.61Å; R459-E462 IonicContact NE-OE2 3.07Å; R459-E462 IonicContact NH1-OE2 3.41Å; R459-E462 PolarHBondContact NH1-OE2 2.87Å; R459-E462 PolarHBondContact O-N 3.41Å; E462-K464 PolarHBondContact O-N 2.89Å; E462-K465 WeakPolarHBondContact O-CA 3.24Å; E462-K465 WeakPolarHBondContact O-CB 3.44Å; E462-K465 PolarHBondContact O-N 3.45Å; E462-E466 PolarHBondContact O-N 3.31Å |
| 463 | L | 94.3 | Very high | 94.5 | Very high | 86 Ų | 86 | 104.3 Ų | 104.3 | 45% | 0.45 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.8 | -32.8 | 178.3 | -76.9 | 165.4 | 0 | 0 | 0 | 112.8 | R459 L467 | R459-L463 HydrophobicContact CG-CD1 4.17Å; R459-L463 HydrophobicContact CG-CG 4.5Å; R459-L463 WeakPolarHBondContact O-CB 3.42Å; R459-L463 VanDerWaalsContact O-CG 3.29Å; R459-L463 WeakPolarHBondContact O-CG 3.08Å; R459-L463 PolarHBondContact O-N 2.86Å; L463-L467 VanDerWaalsContact O-CB 3.25Å; L463-L467 WeakPolarHBondContact O-CB 3.4Å; L463-L467 PolarHBondContact O-N 2.93Å |
| 464 | K | 95.2 | Very high | 94.2 | Very high | 139 Ų | 139 | 106 Ų | 106 | 60% | 0.604 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69 | -29.5 | 173.1 | -78.7 | 173.4 | 178.3 | -175.3 | 0 | 113.8 | V460 E462 A468 | V460-K464 HydrophobicContact CG1-CD 4.31Å; V460-K464 WeakPolarHBondContact O-CB 3.34Å; V460-K464 VanDerWaalsContact O-CG 3.23Å; V460-K464 WeakPolarHBondContact O-CG 3.35Å; V460-K464 PolarHBondContact O-N 3.12Å; E462-K464 PolarHBondContact O-N 2.89Å; K464-A468 WeakPolarHBondContact O-CB 3.43Å; K464-A468 PolarHBondContact O-N 3.01Å; K464-A468 VanDerWaalsContact O-N 3.13Å |
| 465 | K | 95 | Very high | 94 | Very high | 128 Ų | 128 | 105.2 Ų | 105.2 | 56% | 0.557 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -78.6 | -41.8 | 174 | -66.1 | 162 | -170.8 | 163.5 | 0 | 110.7 | E461 E462 L467 A468 Q469 | E461-K465 WeakPolarHBondContact O-CD 3.46Å; E461-K465 WeakPolarHBondContact O-CE 3.47Å; E461-K465 WeakPolarHBondContact O-CG 3.37Å; E462-K465 WeakPolarHBondContact O-CA 3.24Å; E462-K465 WeakPolarHBondContact O-CB 3.44Å; E462-K465 PolarHBondContact O-N 3.45Å; K465-L467 VanDerWaalsContact C-N 3.3Å; K465-L467 PolarHBondContact O-N 3.48Å; K465-A468 PolarHBondContact O-N 2.84Å; K465-Q469 WeakPolarHBondContact O-CB 3.44Å; K465-Q469 VanDerWaalsContact O-CG 3.25Å; K465-Q469 WeakPolarHBondContact O-CG 3.29Å; K465-Q469 PolarHBondContact O-N 3.42Å |
| 466 | E | 92.7 | Very high | 93.8 | Very high | 84 Ų | 84 | 103.6 Ų | 103.6 | 39% | 0.393 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.8 | -41.4 | 173.3 | -68 | 167.7 | -159.7 | 0 | 0 | 111 | R459 E462 Q469 A470 | R459-E466 IonicContact CZ-OE1 3.5Å; R459-E466 VanDerWaalsContact CZ-OE1 3.32Å; R459-E466 IonicContact CZ-OE2 2.7Å; R459-E466 IonicContact NH1-OE1 2.61Å; R459-E466 PolarHBondContact NH1-OE1 3.1Å; R459-E466 IonicContact NH1-OE2 3.2Å; R459-E466 VanDerWaalsContact NH2-CD 3.31Å; R459-E466 IonicContact NH2-OE1 2.82Å; R459-E466 PolarHBondContact NH2-OE1 2.88Å; R459-E466 IonicContact NH2-OE2 3.98Å; R459-E466 PolarHBondContact NH2-OE2 3.37Å; E462-E466 PolarHBondContact O-N 3.31Å; E466-Q469 PolarHBondContact O-N 3.34Å; E466-A470 PolarHBondContact O-N 3.17Å |
| 467 | L | 92.3 | Very high | 93.5 | Very high | 98 Ų | 98 | 100.3 Ų | 100.3 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -50.6 | 173.1 | 178.4 | 61.9 | 0 | 0 | 0 | 112.1 | L463 K465 Q469 A470 E471 | L463-L467 VanDerWaalsContact O-CB 3.25Å; L463-L467 WeakPolarHBondContact O-CB 3.4Å; L463-L467 PolarHBondContact O-N 2.93Å; K465-L467 VanDerWaalsContact C-N 3.3Å; K465-L467 PolarHBondContact O-N 3.48Å; L467-Q469 PolarHBondContact O-N 2.9Å; L467-A470 CarbonylContact O-C 3.55Å; L467-A470 WeakPolarHBondContact O-CB 3.3Å; L467-A470 PolarHBondContact O-N 3.48Å; L467-E471 HydrophobicContact CD1-CG 4.32Å; L467-E471 HydrophobicContact CG-CG 4.46Å; L467-E471 WeakPolarHBondContact O-CG 3.31Å; L467-E471 PolarHBondContact O-N 2.83Å |
| 468 | A | 92.6 | Very high | 93.3 | Very high | 41 Ų | 41 | 97.4 Ų | 97.4 | 34% | 0.339 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.1 | -35.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K464 K465 E471 D472 | K464-A468 WeakPolarHBondContact O-CB 3.43Å; K464-A468 PolarHBondContact O-N 3.01Å; K464-A468 VanDerWaalsContact O-N 3.13Å; K465-A468 PolarHBondContact O-N 2.84Å; A468-E471 PolarHBondContact O-N 3.09Å; A468-D472 PolarHBondContact O-N 3.43Å |
| 469 | Q | 93.2 | Very high | 93.1 | Very high | 118 Ų | 118 | 96 Ų | 96 | 55% | 0.551 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.3 | -40.3 | 173.2 | -74.1 | 171.5 | -30.9 | 0 | 0 | 112.2 | K465 E466 L467 E471 D472 E473 | K465-Q469 WeakPolarHBondContact O-CB 3.44Å; K465-Q469 VanDerWaalsContact O-CG 3.25Å; K465-Q469 WeakPolarHBondContact O-CG 3.29Å; K465-Q469 PolarHBondContact O-N 3.42Å; E466-Q469 PolarHBondContact O-N 3.34Å; L467-Q469 PolarHBondContact O-N 2.9Å; Q469-E471 VanDerWaalsContact C-N 3.33Å; Q469-D472 PolarHBondContact O-N 3.25Å; Q469-E473 WeakPolarHBondContact O-CB 3.49Å; Q469-E473 WeakPolarHBondContact O-CG 3.34Å; Q469-E473 PolarHBondContact O-N 2.92Å |
| 470 | A | 91.4 | Very high | 92.8 | Very high | 52 Ų | 52 | 96.4 Ų | 96.4 | 43% | 0.43 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.8 | -31.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E466 L467 L474 | E466-A470 PolarHBondContact O-N 3.17Å; L467-A470 CarbonylContact O-C 3.55Å; L467-A470 WeakPolarHBondContact O-CB 3.3Å; L467-A470 PolarHBondContact O-N 3.48Å; A470-L474 WeakPolarHBondContact O-CB 3.43Å; A470-L474 PolarHBondContact O-N 3.43Å |
| 471 | E | 91.3 | Very high | 92.5 | Very high | 112 Ų | 112 | 95.6 Ų | 95.6 | 52% | 0.523 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.5 | -45.5 | 171.5 | -70.5 | 171 | 161.5 | 0 | 0 | 110.9 | L467 A468 Q469 L474 D475 | L467-E471 HydrophobicContact CD1-CG 4.32Å; L467-E471 HydrophobicContact CG-CG 4.46Å; L467-E471 WeakPolarHBondContact O-CG 3.31Å; L467-E471 PolarHBondContact O-N 2.83Å; A468-E471 PolarHBondContact O-N 3.09Å; Q469-E471 VanDerWaalsContact C-N 3.33Å; E471-L474 PolarHBondContact O-N 2.96Å; E471-D475 PolarHBondContact O-N 2.79Å |
| 472 | D | 93.4 | Very high | 92.4 | Very high | 114 Ų | 114 | 96 Ų | 96 | 61% | 0.61 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.4 | -47.1 | 172.7 | -76.1 | -33 | 0 | 0 | 0 | 111.6 | A468 Q469 L474 D475 E476 | A468-D472 PolarHBondContact O-N 3.43Å; Q469-D472 PolarHBondContact O-N 3.25Å; D472-L474 VanDerWaalsContact C-N 3.34Å; D472-L474 PolarHBondContact O-N 3.04Å; D472-D475 PolarHBondContact O-N 3.37Å; D472-E476 PolarHBondContact O-N 2.98Å |
| 473 | E | 93.2 | Very high | 92.2 | Very high | 142 Ų | 142 | 98.2 Ų | 98.2 | 66% | 0.664 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.3 | -38.2 | 176.3 | -77.4 | -177.6 | -171.9 | 0 | 0 | 112.3 | Q469 E476 A477 | Q469-E473 WeakPolarHBondContact O-CB 3.49Å; Q469-E473 WeakPolarHBondContact O-CG 3.34Å; Q469-E473 PolarHBondContact O-N 2.92Å; E473-E476 PolarHBondContact O-N 3.15Å; E473-A477 WeakPolarHBondContact O-CB 3.27Å; E473-A477 PolarHBondContact O-N 2.7Å |
| 474 | L | 91.4 | Very high | 91.8 | Very high | 102 Ų | 102 | 100.1 Ų | 100.1 | 53% | 0.534 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.4 | -37.4 | 175.7 | -178.7 | 62.2 | 0 | 0 | 0 | 111.6 | A470 E471 D472 A477 H478 | A470-L474 WeakPolarHBondContact O-CB 3.43Å; A470-L474 PolarHBondContact O-N 3.43Å; E471-L474 PolarHBondContact O-N 2.96Å; D472-L474 VanDerWaalsContact C-N 3.34Å; D472-L474 PolarHBondContact O-N 3.04Å; L474-A477 PolarHBondContact O-N 3.31Å; L474-H478 PolarHBondContact O-N 3.48Å; L474-H478 PolarHBondContact O-ND1 3.48Å |
| 475 | D | 93.2 | Very high | 91.5 | Very high | 94 Ų | 94 | 98.1 Ų | 98.1 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -73.7 | -35 | 176.5 | -136.9 | -11.6 | 0 | 0 | 0 | 111.2 | E471 D472 H478 N479 R482 | E471-D475 PolarHBondContact O-N 2.79Å; D472-D475 PolarHBondContact O-N 3.37Å; D475-H478 PolarHBondContact O-N 2.98Å; D475-N479 WeakPolarHBondContact O-CB 3.5Å; D475-N479 PolarHBondContact O-N 3.23Å; D475-N479 PolarHBondContact O-ND2 3.22Å; D475-R482 IonicContact OD1-NH2 3.45Å; D475-R482 PolarHBondContact OD1-NH2 3.47Å |
| 476 | E | 93.6 | Very high | 91.2 | Very high | 128 Ų | 128 | 98.4 Ų | 98.4 | 60% | 0.598 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.1 | -46.6 | 166.1 | -78.3 | -151.8 | 176.9 | 0 | 0 | 111.6 | D472 E473 H478 N479 Q480 | D472-E476 PolarHBondContact O-N 2.98Å; E473-E476 PolarHBondContact O-N 3.15Å; E476-H478 PolarHBondContact O-N 2.78Å; E476-N479 CarbonylContact O-C 3.5Å; E476-N479 WeakPolarHBondContact O-CA 3.47Å; E476-N479 WeakPolarHBondContact O-CB 3.21Å; E476-N479 PolarHBondContact O-N 2.83Å; E476-N479 VanDerWaalsContact O-N 3.09Å; E476-Q480 WeakPolarHBondContact O-CG 3.34Å; E476-Q480 PolarHBondContact O-N 2.87Å |
| 477 | A | 88.8 | Confident | 90.9 | Very high | 48 Ų | 48 | 97.2 Ų | 97.2 | 40% | 0.397 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E473 L474 N479 Q480 A481 | E473-A477 WeakPolarHBondContact O-CB 3.27Å; E473-A477 PolarHBondContact O-N 2.7Å; L474-A477 PolarHBondContact O-N 3.31Å; A477-N479 VanDerWaalsContact C-N 3.31Å; A477-N479 PolarHBondContact O-N 3.13Å; A477-Q480 PolarHBondContact O-N 3.4Å; A477-A481 WeakPolarHBondContact O-CB 3.49Å; A477-A481 PolarHBondContact O-N 2.85Å |
| 478 | H | 91.1 | Very high | 90.4 | Very high | 103 Ų | 103 | 97.2 Ų | 97.2 | 48% | 0.477 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.3 | -33.4 | 172.3 | -79.2 | 95.4 | 0 | 0 | 0 | 112.6 | L474 D475 E476 R482 | L474-H478 PolarHBondContact O-N 3.48Å; L474-H478 PolarHBondContact O-ND1 3.48Å; D475-H478 PolarHBondContact O-N 2.98Å; E476-H478 PolarHBondContact O-N 2.78Å; H478-R482 WeakPolarHBondContact O-CB 3.36Å; H478-R482 VanDerWaalsContact O-CG 3.25Å; H478-R482 WeakPolarHBondContact O-CG 3.46Å; H478-R482 PolarHBondContact O-N 3.11Å; H478-R482 PolarHBondContact O-NE 2.98Å |
| 479 | N | 91.4 | Very high | 90.2 | Very high | 68 Ų | 68 | 98.6 Ų | 98.6 | 36% | 0.364 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.9 | -35.1 | 173.4 | -83.5 | -66.8 | 0 | 0 | 0 | 112.1 | D475 E476 A477 R482 K483 | D475-N479 WeakPolarHBondContact O-CB 3.5Å; D475-N479 PolarHBondContact O-N 3.23Å; D475-N479 PolarHBondContact O-ND2 3.22Å; E476-N479 CarbonylContact O-C 3.5Å; E476-N479 WeakPolarHBondContact O-CA 3.47Å; E476-N479 WeakPolarHBondContact O-CB 3.21Å; E476-N479 PolarHBondContact O-N 2.83Å; E476-N479 VanDerWaalsContact O-N 3.09Å; A477-N479 VanDerWaalsContact C-N 3.31Å; A477-N479 PolarHBondContact O-N 3.13Å; N479-R482 PolarHBondContact ND2-NH2 3.18Å; N479-R482 PolarHBondContact OD1-NH2 3.28Å; N479-K483 VanDerWaalsContact O-CG 3.28Å; N479-K483 WeakPolarHBondContact O-CG 3.38Å; N479-K483 PolarHBondContact O-N 2.82Å; N479-K483 VanDerWaalsContact O-N 3.09Å |
| 480 | Q | 90.8 | Very high | 90 | Very high | 105 Ų | 105 | 98.2 Ų | 98.2 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.9 | -47.2 | 172.4 | -68.8 | 175.3 | 47.3 | 0 | 0 | 111.2 | E476 A477 R482 K483 L484 | E476-Q480 WeakPolarHBondContact O-CG 3.34Å; E476-Q480 PolarHBondContact O-N 2.87Å; A477-Q480 PolarHBondContact O-N 3.4Å; Q480-R482 VanDerWaalsContact C-N 3.34Å; Q480-R482 PolarHBondContact O-N 3.49Å; Q480-K483 WeakPolarHBondContact O-CA 3.12Å; Q480-K483 WeakPolarHBondContact O-CB 3.26Å; Q480-K483 PolarHBondContact O-N 2.7Å; Q480-L484 WeakPolarHBondContact O-CG 3.41Å; Q480-L484 PolarHBondContact O-N 3.45Å |
| 481 | A | 89.3 | Confident | 89.6 | Confident | 54 Ų | 54 | 100.7 Ų | 100.7 | 45% | 0.446 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -56.7 | -45.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A477 K483 L484 Q485 | A477-A481 WeakPolarHBondContact O-CB 3.49Å; A477-A481 PolarHBondContact O-N 2.85Å; A481-K483 VanDerWaalsContact C-N 3.29Å; A481-K483 PolarHBondContact O-N 2.78Å; A481-L484 PolarHBondContact O-N 3.34Å; A481-Q485 WeakPolarHBondContact O-CB 3.41Å; A481-Q485 PolarHBondContact O-N 3.17Å |
| 482 | R | 92.1 | Very high | 89.2 | Confident | 111 Ų | 111 | 98.4 Ų | 98.4 | 42% | 0.419 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -26.7 | 173.9 | -76.5 | 174.9 | -75.6 | 176.3 | -10.1 | 114 | D475 H478 N479 Q480 R486 | D475-R482 IonicContact OD1-NH2 3.45Å; D475-R482 PolarHBondContact OD1-NH2 3.47Å; H478-R482 WeakPolarHBondContact O-CB 3.36Å; H478-R482 VanDerWaalsContact O-CG 3.25Å; H478-R482 WeakPolarHBondContact O-CG 3.46Å; H478-R482 PolarHBondContact O-N 3.11Å; H478-R482 PolarHBondContact O-NE 2.98Å; N479-R482 PolarHBondContact ND2-NH2 3.18Å; N479-R482 PolarHBondContact OD1-NH2 3.28Å; Q480-R482 VanDerWaalsContact C-N 3.34Å; Q480-R482 PolarHBondContact O-N 3.49Å; R482-R486 WeakPolarHBondContact O-CG 3.45Å; R482-R486 PolarHBondContact O-N 3.18Å; R482-R486 PolarHBondContact O-NH1 3.03Å |
| 483 | K | 90.6 | Very high | 88.7 | Confident | 136 Ų | 136 | 98.8 Ų | 98.8 | 59% | 0.591 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -76.3 | -43.6 | 171.8 | -72.2 | 163.7 | -175.8 | 171.6 | 0 | 111.3 | N479 Q480 A481 R486 S487 | N479-K483 VanDerWaalsContact O-CG 3.28Å; N479-K483 WeakPolarHBondContact O-CG 3.38Å; N479-K483 PolarHBondContact O-N 2.82Å; N479-K483 VanDerWaalsContact O-N 3.09Å; Q480-K483 WeakPolarHBondContact O-CA 3.12Å; Q480-K483 WeakPolarHBondContact O-CB 3.26Å; Q480-K483 PolarHBondContact O-N 2.7Å; A481-K483 VanDerWaalsContact C-N 3.29Å; A481-K483 PolarHBondContact O-N 2.78Å; K483-R486 PolarHBondContact O-N 2.9Å; K483-S487 PolarHBondContact O-N 2.92Å |
| 484 | L | 85.4 | Confident | 88.1 | Confident | 125 Ų | 125 | 96.9 Ų | 96.9 | 65% | 0.654 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.5 | -37.7 | 177.6 | -69.5 | 172.8 | 0 | 0 | 0 | 111.9 | Q480 A481 S487 L488 | Q480-L484 WeakPolarHBondContact O-CG 3.41Å; Q480-L484 PolarHBondContact O-N 3.45Å; A481-L484 PolarHBondContact O-N 3.34Å; L484-S487 WeakPolarHBondContact O-CB 3.45Å; L484-S487 PolarHBondContact O-N 3.19Å; L484-L488 WeakPolarHBondContact O-CB 3.38Å; L484-L488 PolarHBondContact O-N 3.32Å |
| 485 | Q | 87.9 | Confident | 87.1 | Confident | 97 Ų | 97 | 95.1 Ų | 95.1 | 45% | 0.453 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61 | -51 | 174 | -172.4 | 60.8 | 48.5 | 0 | 0 | 111.1 | A481 S487 L488 D489 | A481-Q485 WeakPolarHBondContact O-CB 3.41Å; A481-Q485 PolarHBondContact O-N 3.17Å; Q485-S487 VanDerWaalsContact C-N 3.27Å; Q485-S487 PolarHBondContact O-N 3.1Å; Q485-L488 CarbonylContact O-C 3.29Å; Q485-L488 WeakPolarHBondContact O-CA 3.24Å; Q485-L488 WeakPolarHBondContact O-CB 3.49Å; Q485-L488 PolarHBondContact O-N 3.29Å; Q485-D489 PolarHBondContact NE2-OD1 3Å; Q485-D489 PolarHBondContact O-N 3.1Å; Q485-D489 VanDerWaalsContact O-OD2 3.14Å |
| 486 | R | 88.8 | Confident | 86.6 | Confident | 134 Ų | 134 | 96.2 Ų | 96.2 | 51% | 0.506 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.8 | -40 | 176 | -67.3 | -179.5 | -153.2 | 107.1 | -0.5 | 112.5 | R482 K483 L488 D489 E490 | R482-R486 WeakPolarHBondContact O-CG 3.45Å; R482-R486 PolarHBondContact O-N 3.18Å; R482-R486 PolarHBondContact O-NH1 3.03Å; K483-R486 PolarHBondContact O-N 2.9Å; R486-L488 VanDerWaalsContact C-N 3.34Å; R486-D489 PolarHBondContact O-N 2.94Å; R486-E490 WeakPolarHBondContact O-CB 3.17Å; R486-E490 VanDerWaalsContact O-CG 3.24Å; R486-E490 WeakPolarHBondContact O-CG 3.43Å; R486-E490 PolarHBondContact O-N 3.33Å |
| 487 | S | 86.4 | Confident | 85.9 | Confident | 60 Ų | 60 | 94.9 Ų | 94.9 | 42% | 0.42 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.4 | -39.1 | 174.6 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | K483 L484 Q485 Q491 | K483-S487 PolarHBondContact O-N 2.92Å; L484-S487 WeakPolarHBondContact O-CB 3.45Å; L484-S487 PolarHBondContact O-N 3.19Å; Q485-S487 VanDerWaalsContact C-N 3.27Å; Q485-S487 PolarHBondContact O-N 3.1Å; S487-Q491 WeakPolarHBondContact O-CB 3.37Å; S487-Q491 VanDerWaalsContact O-CG 3.29Å; S487-Q491 WeakPolarHBondContact O-CG 3.29Å; S487-Q491 PolarHBondContact O-N 3.33Å |
| 488 | L | 83.1 | Confident | 85.4 | Confident | 97 Ų | 97 | 97.4 Ų | 97.4 | 51% | 0.508 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 173.5 | -179.9 | 63 | 0 | 0 | 0 | 111.6 | L484 Q485 R486 Q491 T492 | L484-L488 WeakPolarHBondContact O-CB 3.38Å; L484-L488 PolarHBondContact O-N 3.32Å; Q485-L488 CarbonylContact O-C 3.29Å; Q485-L488 WeakPolarHBondContact O-CA 3.24Å; Q485-L488 WeakPolarHBondContact O-CB 3.49Å; Q485-L488 PolarHBondContact O-N 3.29Å; R486-L488 VanDerWaalsContact C-N 3.34Å; L488-Q491 PolarHBondContact O-N 3.5Å; L488-T492 WeakPolarHBondContact O-CB 3.23Å; L488-T492 PolarHBondContact O-N 2.94Å; L488-T492 PolarHBondContact O-OG1 2.76Å |
| 489 | D | 88 | Confident | 84.6 | Confident | 71 Ų | 71 | 98.1 Ų | 98.1 | 38% | 0.38 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 176.2 | -55 | -31.8 | 0 | 0 | 0 | 109.8 | Q485 R486 Q491 T492 E493 | Q485-D489 PolarHBondContact NE2-OD1 3Å; Q485-D489 PolarHBondContact O-N 3.1Å; Q485-D489 VanDerWaalsContact O-OD2 3.14Å; R486-D489 PolarHBondContact O-N 2.94Å; D489-Q491 PolarHBondContact O-N 2.81Å; D489-T492 CarbonylContact O-C 3.57Å; D489-T492 WeakPolarHBondContact O-CA 3.29Å; D489-T492 WeakPolarHBondContact O-CB 3.34Å; D489-T492 PolarHBondContact O-N 3.12Å; D489-E493 PolarHBondContact O-N 2.99Å |
| 490 | E | 88.3 | Confident | 84 | Confident | 109 Ų | 109 | 99 Ų | 99 | 51% | 0.509 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.7 | -39.3 | 174.2 | -74.6 | 168.9 | -151.3 | 0 | 0 | 112.7 | R486 Q494 | R486-E490 WeakPolarHBondContact O-CB 3.17Å; R486-E490 VanDerWaalsContact O-CG 3.24Å; R486-E490 WeakPolarHBondContact O-CG 3.43Å; R486-E490 PolarHBondContact O-N 3.33Å; E490-Q494 WeakPolarHBondContact O-CB 3.31Å; E490-Q494 WeakPolarHBondContact O-CG 3.38Å; E490-Q494 PolarHBondContact O-N 3.45Å; E490-Q494 VanDerWaalsContact O-N 3.07Å; E490-Q494 PolarHBondContact O-NE2 3.27Å |
| 491 | Q | 83.2 | Confident | 83.1 | Confident | 105 Ų | 105 | 99.3 Ų | 99.3 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.6 | -31.6 | 172.9 | -72.4 | -58.6 | -83.4 | 0 | 0 | 112.4 | S487 L488 D489 Q494 S495 | S487-Q491 WeakPolarHBondContact O-CB 3.37Å; S487-Q491 VanDerWaalsContact O-CG 3.29Å; S487-Q491 WeakPolarHBondContact O-CG 3.29Å; S487-Q491 PolarHBondContact O-N 3.33Å; L488-Q491 PolarHBondContact O-N 3.5Å; D489-Q491 PolarHBondContact O-N 2.81Å; Q491-Q494 VanDerWaalsContact NE2-CD 3.26Å; Q491-Q494 PolarHBondContact O-N 2.87Å; Q491-S495 WeakPolarHBondContact O-CB 3.4Å; Q491-S495 PolarHBondContact O-N 2.96Å |
| 492 | T | 83.2 | Confident | 82.2 | Confident | 63 Ų | 63 | 101.7 Ų | 101.7 | 39% | 0.387 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.7 | -48.1 | 175.9 | -57.6 | 0 | 0 | 0 | 0 | 110.2 | L488 D489 Q494 S495 E496 | L488-T492 WeakPolarHBondContact O-CB 3.23Å; L488-T492 PolarHBondContact O-N 2.94Å; L488-T492 PolarHBondContact O-OG1 2.76Å; D489-T492 CarbonylContact O-C 3.57Å; D489-T492 WeakPolarHBondContact O-CA 3.29Å; D489-T492 WeakPolarHBondContact O-CB 3.34Å; D489-T492 PolarHBondContact O-N 3.12Å; T492-Q494 VanDerWaalsContact C-N 3.27Å; T492-Q494 PolarHBondContact O-N 3.38Å; T492-S495 CarbonylContact O-C 3.6Å; T492-S495 WeakPolarHBondContact O-CA 3.32Å; T492-S495 WeakPolarHBondContact O-CB 3.19Å; T492-S495 PolarHBondContact O-N 3.41Å; T492-E496 WeakPolarHBondContact O-CG 3.4Å; T492-E496 PolarHBondContact O-N 2.88Å |
| 493 | E | 83.3 | Confident | 81.1 | Confident | 122 Ų | 122 | 101.9 Ų | 101.9 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -56.6 | -39.9 | 172.1 | -73.1 | -172.6 | 176.8 | 0 | 0 | 111.8 | D489 E496 N497 | D489-E493 PolarHBondContact O-N 2.99Å; E493-E496 PolarHBondContact O-N 2.85Å; E493-N497 WeakPolarHBondContact O-CB 3.47Å; E493-N497 PolarHBondContact O-N 3.04Å; E493-N497 PolarHBondContact O-ND2 3.46Å |
| 494 | Q | 80.7 | Confident | 80 | Confident | 102 Ų | 102 | 101.7 Ų | 101.7 | 48% | 0.477 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 174.6 | -75.4 | 168.8 | 44.8 | 0 | 0 | 112 | E490 Q491 T492 N497 L498 | E490-Q494 WeakPolarHBondContact O-CB 3.31Å; E490-Q494 WeakPolarHBondContact O-CG 3.38Å; E490-Q494 PolarHBondContact O-N 3.45Å; E490-Q494 VanDerWaalsContact O-N 3.07Å; E490-Q494 PolarHBondContact O-NE2 3.27Å; Q491-Q494 VanDerWaalsContact NE2-CD 3.26Å; Q491-Q494 PolarHBondContact O-N 2.87Å; T492-Q494 VanDerWaalsContact C-N 3.27Å; T492-Q494 PolarHBondContact O-N 3.38Å; Q494-N497 PolarHBondContact O-N 3.2Å; Q494-L498 VanDerWaalsContact O-CG 3.31Å; Q494-L498 WeakPolarHBondContact O-CG 3.46Å; Q494-L498 PolarHBondContact O-N 3.36Å |
| 495 | S | 71.3 | Confident | 78.8 | Confident | 65 Ų | 65 | 101.2 Ų | 101.2 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 175.1 | -171.6 | 0 | 0 | 0 | 0 | 111.8 | Q491 T492 L498 Q499 | Q491-S495 WeakPolarHBondContact O-CB 3.4Å; Q491-S495 PolarHBondContact O-N 2.96Å; T492-S495 CarbonylContact O-C 3.6Å; T492-S495 WeakPolarHBondContact O-CA 3.32Å; T492-S495 WeakPolarHBondContact O-CB 3.19Å; T492-S495 PolarHBondContact O-N 3.41Å; S495-L498 PolarHBondContact O-N 2.83Å; S495-Q499 WeakPolarHBondContact O-CB 3.45Å; S495-Q499 PolarHBondContact O-N 2.63Å |
| 496 | E | 81.5 | Confident | 77.5 | Confident | 118 Ų | 118 | 102.7 Ų | 102.7 | 55% | 0.551 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.7 | -43 | 176.8 | -71.3 | -174.7 | 169.8 | 0 | 0 | 111.9 | T492 E493 L498 Q499 V500 | T492-E496 WeakPolarHBondContact O-CG 3.4Å; T492-E496 PolarHBondContact O-N 2.88Å; E493-E496 PolarHBondContact O-N 2.85Å; E496-L498 VanDerWaalsContact C-N 3.33Å; E496-L498 PolarHBondContact O-N 2.99Å; E496-Q499 WeakPolarHBondContact O-CB 3.33Å; E496-Q499 PolarHBondContact O-N 3.1Å; E496-Q499 VanDerWaalsContact O-N 3.1Å; E496-V500 WeakPolarHBondContact O-CG2 3.34Å; E496-V500 PolarHBondContact O-N 3.26Å |
| 497 | N | 79.3 | Confident | 76 | Confident | 99 Ų | 99 | 100.1 Ų | 100.1 | 53% | 0.529 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.4 | -38.6 | 174.7 | -86.9 | -77 | 0 | 0 | 0 | 112.6 | E493 Q494 Q501 | E493-N497 WeakPolarHBondContact O-CB 3.47Å; E493-N497 PolarHBondContact O-N 3.04Å; E493-N497 PolarHBondContact O-ND2 3.46Å; Q494-N497 PolarHBondContact O-N 3.2Å; N497-Q501 VanDerWaalsContact O-CG 3.3Å; N497-Q501 WeakPolarHBondContact O-CG 3.2Å; N497-Q501 PolarHBondContact O-N 3.43Å; N497-Q501 VanDerWaalsContact O-N 3.15Å; N497-Q501 PolarHBondContact O-NE2 2.87Å |
| 498 | L | 78 | Confident | 74.5 | Confident | 102 Ų | 102 | 107.1 Ų | 107.1 | 53% | 0.534 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69 | -34.9 | 173.3 | -71.5 | 168.8 | 0 | 0 | 0 | 111.9 | Q494 S495 E496 Q501 L502 | Q494-L498 VanDerWaalsContact O-CG 3.31Å; Q494-L498 WeakPolarHBondContact O-CG 3.46Å; Q494-L498 PolarHBondContact O-N 3.36Å; S495-L498 PolarHBondContact O-N 2.83Å; E496-L498 VanDerWaalsContact C-N 3.33Å; E496-L498 PolarHBondContact O-N 2.99Å; L498-Q501 WeakPolarHBondContact O-CB 3.4Å; L498-Q501 PolarHBondContact O-N 2.85Å; L498-L502 WeakPolarHBondContact O-CG 3.3Å; L498-L502 PolarHBondContact O-N 3.45Å |
| 499 | Q | 74.3 | Confident | 73.1 | Confident | 117 Ų | 117 | 109.5 Ų | 109.5 | 55% | 0.547 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69 | -41.4 | 177.7 | -162.9 | 158.9 | -35.6 | 0 | 0 | 111.8 | S495 E496 Q501 L502 E503 | S495-Q499 WeakPolarHBondContact O-CB 3.45Å; S495-Q499 PolarHBondContact O-N 2.63Å; E496-Q499 WeakPolarHBondContact O-CB 3.33Å; E496-Q499 PolarHBondContact O-N 3.1Å; E496-Q499 VanDerWaalsContact O-N 3.1Å; Q499-Q501 VanDerWaalsContact C-N 3.33Å; Q499-Q501 PolarHBondContact O-N 3.36Å; Q499-L502 WeakPolarHBondContact O-CB 3.49Å; Q499-L502 PolarHBondContact O-N 3.3Å; Q499-E503 PolarHBondContact O-N 3.06Å |
| 500 | V | 77.9 | Confident | 71.5 | Confident | 86 Ų | 86 | 116.8 Ų | 116.8 | 52% | 0.521 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.2 | -39.2 | 170.5 | 171.7 | 0 | 0 | 0 | 0 | 111.5 | E496 E503 H504 | E496-V500 WeakPolarHBondContact O-CG2 3.34Å; E496-V500 PolarHBondContact O-N 3.26Å; V500-E503 PolarHBondContact O-N 3.42Å; V500-H504 WeakPolarHBondContact O-CB 3.44Å; V500-H504 PolarHBondContact O-N 3.32Å |
| 501 | Q | 73.1 | Confident | 69.7 | Low | 113 Ų | 113 | 122.9 Ų | 122.9 | 53% | 0.528 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.3 | -40.4 | 174.1 | -73.1 | 169.7 | 54.5 | 0 | 0 | 112.2 | N497 L498 Q499 H504 L505 | N497-Q501 VanDerWaalsContact O-CG 3.3Å; N497-Q501 WeakPolarHBondContact O-CG 3.2Å; N497-Q501 PolarHBondContact O-N 3.43Å; N497-Q501 VanDerWaalsContact O-N 3.15Å; N497-Q501 PolarHBondContact O-NE2 2.87Å; L498-Q501 WeakPolarHBondContact O-CB 3.4Å; L498-Q501 PolarHBondContact O-N 2.85Å; Q499-Q501 VanDerWaalsContact C-N 3.33Å; Q499-Q501 PolarHBondContact O-N 3.36Å; Q501-H504 PolarHBondContact O-N 3Å; Q501-L505 WeakPolarHBondContact O-CG 3.43Å; Q501-L505 PolarHBondContact O-N 2.93Å |
| 502 | L | 69.3 | Low | 67.5 | Low | 103 Ų | 103 | 125.7 Ų | 125.7 | 54% | 0.539 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.6 | -44.3 | 174.4 | -73.7 | 168.3 | 0 | 0 | 0 | 111.9 | L498 Q499 H504 L505 Q506 | L498-L502 WeakPolarHBondContact O-CG 3.3Å; L498-L502 PolarHBondContact O-N 3.45Å; Q499-L502 WeakPolarHBondContact O-CB 3.49Å; Q499-L502 PolarHBondContact O-N 3.3Å; L502-H504 VanDerWaalsContact C-N 3.32Å; L502-H504 PolarHBondContact O-N 3.25Å; L502-L505 PolarHBondContact O-N 2.98Å; L502-Q506 WeakPolarHBondContact O-CG 3.39Å; L502-Q506 PolarHBondContact O-N 3.45Å |
| 503 | E | 70.8 | Confident | 65.2 | Low | 116 Ų | 116 | 131.4 Ų | 131.4 | 54% | 0.542 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -63 | -37.2 | 175.4 | -70 | -170.1 | 166.6 | 0 | 0 | 112.6 | Q499 V500 Q506 S507 | Q499-E503 PolarHBondContact O-N 3.06Å; V500-E503 PolarHBondContact O-N 3.42Å; E503-Q506 PolarHBondContact O-N 2.87Å; E503-S507 VanDerWaalsContact O-CB 3.3Å; E503-S507 WeakPolarHBondContact O-CB 3.38Å; E503-S507 PolarHBondContact O-N 2.94Å; E503-S507 PolarHBondContact O-OG 3.04Å |
| 504 | H | 67.7 | Low | 63 | Low | 131 Ų | 131 | 134.5 Ų | 134.5 | 61% | 0.606 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.9 | -38.5 | 176.1 | -134.9 | 88.7 | 0 | 0 | 0 | 112 | V500 Q501 L502 S507 R508 | V500-H504 WeakPolarHBondContact O-CB 3.44Å; V500-H504 PolarHBondContact O-N 3.32Å; Q501-H504 PolarHBondContact O-N 3Å; L502-H504 VanDerWaalsContact C-N 3.32Å; L502-H504 PolarHBondContact O-N 3.25Å; H504-S507 PolarHBondContact O-N 2.85Å; H504-R508 WeakPolarHBondContact O-CG 3.4Å; H504-R508 PolarHBondContact O-N 3.39Å |
| 505 | L | 59.8 | Low | 60.4 | Low | 115 Ų | 115 | 138 Ų | 138 | 60% | 0.602 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -69.6 | -44.1 | 174.6 | -70 | 171 | 0 | 0 | 0 | 112 | Q501 L502 S507 R508 L509 | Q501-L505 WeakPolarHBondContact O-CG 3.43Å; Q501-L505 PolarHBondContact O-N 2.93Å; L502-L505 PolarHBondContact O-N 2.98Å; L505-S507 VanDerWaalsContact C-N 3.26Å; L505-S507 PolarHBondContact O-N 3.26Å; L505-R508 PolarHBondContact O-N 3.48Å; L505-L509 PolarHBondContact O-N 3.4Å; L505-L509 VanDerWaalsContact O-N 3.07Å |
| 506 | Q | 60.2 | Low | 58.6 | Low | 129 Ų | 129 | 139.2 Ų | 139.2 | 60% | 0.603 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -58.9 | -38.3 | 173.4 | -72.2 | -178.3 | 16.3 | 0 | 0 | 112 | L502 E503 R508 L509 R510 | L502-Q506 WeakPolarHBondContact O-CG 3.39Å; L502-Q506 PolarHBondContact O-N 3.45Å; E503-Q506 PolarHBondContact O-N 2.87Å; Q506-R508 PolarHBondContact O-N 2.96Å; Q506-L509 PolarHBondContact O-N 3.17Å; Q506-R510 PolarHBondContact O-N 3.46Å |
| 507 | S | 56.6 | Low | 57.4 | Low | 80 Ų | 80 | 138.7 Ų | 138.7 | 56% | 0.559 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -66.7 | -34.1 | 178.1 | -64 | 0 | 0 | 0 | 0 | 113.2 | E503 H504 L505 | E503-S507 VanDerWaalsContact O-CB 3.3Å; E503-S507 WeakPolarHBondContact O-CB 3.38Å; E503-S507 PolarHBondContact O-N 2.94Å; E503-S507 PolarHBondContact O-OG 3.04Å; H504-S507 PolarHBondContact O-N 2.85Å; L505-S507 VanDerWaalsContact C-N 3.26Å; L505-S507 PolarHBondContact O-N 3.26Å |
| 508 | R | 54.9 | Low | 55.1 | Low | 207 Ų | 207 | 141.3 Ų | 141.3 | 78% | 0.781 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -76.7 | -31.6 | 175.1 | -66.5 | 179.8 | 87 | 176.4 | 7.2 | 112.7 | H504 L505 Q506 R510 | H504-R508 WeakPolarHBondContact O-CG 3.4Å; H504-R508 PolarHBondContact O-N 3.39Å; L505-R508 PolarHBondContact O-N 3.48Å; Q506-R508 PolarHBondContact O-N 2.96Å; R508-R510 VanDerWaalsContact C-N 3.29Å; R508-R510 PolarHBondContact O-N 3.33Å |
| 509 | L | 53.1 | Low | 52.9 | Low | 146 Ų | 146 | 144.9 Ų | 144.9 | 76% | 0.764 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -71.8 | -20.8 | -179.8 | -167.5 | 61.2 | 0 | 0 | 0 | 113.4 | L505 Q506 R511 | L505-L509 PolarHBondContact O-N 3.4Å; L505-L509 VanDerWaalsContact O-N 3.07Å; Q506-L509 PolarHBondContact O-N 3.17Å; L509-R511 VanDerWaalsContact C-N 3.27Å; L509-R511 PolarHBondContact O-N 3.47Å |
| 510 | R | 56.2 | Low | 50.6 | Low | 224 Ų | 224 | 142.4 Ų | 142.4 | 85% | 0.845 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 9.6 | -166.4 | -132.9 | 174.6 | -170.5 | 165.2 | 3.9 | 117 | Q506 R508 | Q506-R510 PolarHBondContact O-N 3.46Å; R508-R510 VanDerWaalsContact C-N 3.29Å; R508-R510 PolarHBondContact O-N 3.33Å |
| 511 | R | 49.5 | Very low | 48.4 | Very low | 238 Ų | 238 | 146.5 Ų | 146.5 | 90% | 0.898 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.7 | 6.1 | -168.3 | -146.7 | 179.4 | -70.9 | -128.3 | 1.7 | 116.7 | L509 | L509-R511 VanDerWaalsContact C-N 3.27Å; L509-R511 PolarHBondContact O-N 3.47Å |
| 512 | Q | 37.2 | Very low | 46.6 | Very low | 163 Ų | 163 | 147.6 Ų | 147.6 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -139 | 113.1 | 172.4 | -171.5 | 165.8 | -12.6 | 0 | 0 | 113.1 | ||
| 513 | Q | 34.8 | Very low | 45 | Very low | 184 Ų | 184 | 153.8 Ų | 153.8 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | trans | 66.7 | 138.1 | 171.1 | -108.2 | 147.2 | -22.4 | 0 | 0 | 118.4 | ||||
| 514 | Q | 36.3 | Very low | 43 | Very low | 186 Ų | 186 | 153.2 Ų | 153.2 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | trans | -116.7 | 134 | -173.8 | -62.1 | 165.3 | -63.4 | 0 | 0 | 110.5 | ||||
| 515 | N | 27 | Very low | 41.4 | Very low | 175 Ų | 175 | 151 Ų | 151 | 94% | 0.936 | 76% | 0.758 | S | S | * | * | trans | -174.3 | 163.6 | 137.4 | -94.3 | -28 | 0 | 0 | 0 | 109.4 | ||||
| 516 | A | 34.1 | Very low | 40.2 | Very low | 91 Ų | 91 | 156 Ų | 156 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | trans | -120.2 | -173.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 517 | P | 54.6 | Low | 39.1 | Very low | 107 Ų | 107 | 158.4 Ų | 158.4 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | cis | -136.4 | -161.9 | -7.6 | 32.8 | -8.8 | 0 | 0 | 0 | 114.2 | ||||
| 518 | L | 32.8 | Very low | 38 | Very low | 155 Ų | 155 | 157.8 Ų | 157.8 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | 78.2 | 156.2 | 164.3 | -54.2 | 156.8 | 0 | 0 | 0 | 115.9 | ||||
| 519 | F | 30 | Very low | 37.2 | Very low | 176 Ų | 176 | 154 Ų | 154 | 77% | 0.772 | 78% | 0.784 | S | S | * | * | cis | -164.7 | 149.5 | 24.8 | -167.6 | -88.7 | 0 | 0 | 0 | 114.1 | ||||
| 520 | G | 26.8 | Very low | 36.3 | Very low | 65 Ų | 65 | 156.4 Ų | 156.4 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | trans | 87.4 | 172.6 | 156.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 521 | K | 31.5 | Very low | 35.5 | Very low | 173 Ų | 173 | 154.9 Ų | 154.9 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | cis | -168.8 | 115.6 | -12.2 | -134 | 175.1 | -176.9 | 173.7 | 0 | 114.8 | ||||
| 522 | I | 36.2 | Very low | 35 | Very low | 135 Ų | 135 | 148.6 Ų | 148.6 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | trans | 51.5 | 133.9 | 134 | -63.3 | 175.9 | 0 | 0 | 0 | 122.8 | ||||
| 523 | R | 34.3 | Very low | 34.9 | Very low | 234 Ų | 234 | 144.2 Ų | 144.2 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | 79.8 | 156.1 | 164.4 | -77.5 | 177.7 | -64.2 | -160 | 1.8 | 118.2 | ||||
| 524 | S | 29.6 | Very low | 35.2 | Very low | 103 Ų | 103 | 143.9 Ų | 143.9 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | cis | -178.5 | 142.7 | -22.7 | 176.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 525 | A | 33.2 | Very low | 35.2 | Very low | 84 Ų | 84 | 137.9 Ų | 137.9 | 69% | 0.694 | 78% | 0.784 | S | S | * | * | trans | 75.6 | 127.4 | 146.5 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 526 | R | 36.4 | Very low | 35.7 | Very low | 220 Ų | 220 | 134 Ų | 134 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | 94.7 | 122 | 128.3 | -90.7 | -177.5 | 174.7 | -171.3 | -1.8 | 123.5 | |||||
| 527 | F | 36.3 | Very low | 35.9 | Very low | 180 Ų | 180 | 134.9 Ų | 134.9 | 79% | 0.789 | 78% | 0.777 | S | S | * | * | trans | 76.6 | 159.3 | 151.1 | -73.8 | -67.1 | 0 | 0 | 0 | 120.6 | ||||
| 528 | G | 33.7 | Very low | 35.3 | Very low | 67 Ų | 67 | 136 Ų | 136 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | trans | 98.8 | 105.6 | -151.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 529 | T | 38 | Very low | 35.7 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | cis | 88 | 115.5 | 20.4 | -44.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 530 | E | 33.3 | Very low | 36.3 | Very low | 197 Ų | 197 | 133.1 Ų | 133.1 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | trans | -156.9 | 151.5 | 149.8 | -144.5 | 166.8 | -140.2 | 0 | 0 | 110 | ||||
| 531 | E | 40.5 | Very low | 37.1 | Very low | 192 Ų | 192 | 138.2 Ų | 138.2 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | trans | -124.3 | 145.4 | -176.2 | -72.3 | -177.7 | 106.5 | 0 | 0 | 112.4 | ||||
| 532 | A | 38.1 | Very low | 37.5 | Very low | 105 Ų | 105 | 137.4 Ų | 137.4 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | trans | -160.9 | 141.8 | 152.7 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 533 | G | 35.2 | Very low | 37.8 | Very low | 71 Ų | 71 | 140 Ų | 140 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | cis | 126.3 | 88.7 | 27.6 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 534 | D | 40.6 | Very low | 38.1 | Very low | 177 Ų | 177 | 136.8 Ų | 136.8 | 95% | 0.947 | 79% | 0.79 | S | S | * | * | 85.4 | 145.3 | 87 | -174.5 | 38.6 | 0 | 0 | 0 | 113.2 | |||||
| 535 | G | 36.6 | Very low | 38.6 | Very low | 61 Ų | 61 | 140 Ų | 140 | 63% | 0.629 | 80% | 0.798 | S | S | * | * | trans | 130.8 | 108.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 536 | A | 37.2 | Very low | 39.3 | Very low | 92 Ų | 92 | 144.6 Ų | 144.6 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | 61.3 | 113.3 | 147.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 537 | S | 40.1 | Very low | 39.6 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | 87.7 | 158.1 | 77.7 | 85.7 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 538 | D | 41.7 | Very low | 40.3 | Very low | 131 Ų | 131 | 141.1 Ų | 141.1 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | cis | -161.4 | 168.1 | 6.5 | -151.4 | -6 | 0 | 0 | 0 | 111.5 | ||||
| 539 | L | 41.4 | Very low | 40.7 | Very low | 132 Ų | 132 | 144.5 Ų | 144.5 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | trans | 61.9 | 153 | 164.8 | -48.8 | -175.8 | 0 | 0 | 0 | 118.4 | ||||
| 540 | D | 42.4 | Very low | 41 | Very low | 139 Ų | 139 | 146.6 Ų | 146.6 | 74% | 0.743 | 84% | 0.841 | S | S | * | * | cis | -149.4 | -143.5 | -21.8 | -91.2 | -29.3 | 0 | 0 | 0 | 106 | ||||
| 541 | E | 42.4 | Very low | 41.4 | Very low | 172 Ų | 172 | 144.1 Ų | 144.1 | 80% | 0.804 | 84% | 0.837 | S | S | * | * | cis | -164.6 | 126.5 | 6 | -172.1 | 176.5 | -127.1 | 0 | 0 | 109.2 | ||||
| 542 | D | 39.9 | Very low | 41.5 | Very low | 155 Ų | 155 | 141.5 Ų | 141.5 | 83% | 0.829 | 83% | 0.834 | S | S | * | * | trans | 52 | 162.4 | 165.2 | -64.7 | -14.4 | 0 | 0 | 0 | 121.5 | ||||
| 543 | E | 42.1 | Very low | 41.6 | Very low | 191 Ų | 191 | 143.6 Ų | 143.6 | 89% | 0.893 | 83% | 0.832 | S | S | * | * | cis | -133.1 | 161 | 13.7 | -74.1 | -173.5 | 124.5 | 0 | 0 | 114.1 | ||||
| 544 | D | 41 | Very low | 42 | Very low | 166 Ų | 166 | 147.8 Ų | 147.8 | 89% | 0.888 | 84% | 0.838 | S | S | * | * | trans | -80.3 | 141.1 | 177.8 | -104.9 | -40.3 | 0 | 0 | 0 | 115.2 | ||||
| 545 | L | 40.8 | Very low | 42.1 | Very low | 170 Ų | 170 | 146 Ų | 146 | 89% | 0.89 | 83% | 0.831 | S | S | * | * | trans | -97.8 | 99.5 | 168.6 | -90.2 | 176.9 | 0 | 0 | 0 | 113.4 | I547 | L545-I547 PolarHBondContact O-N 2.75Š| ||
| 546 | Q | 46.9 | Very low | 42.5 | Very low | 181 Ų | 181 | 151.7 Ų | 151.7 | 85% | 0.846 | 84% | 0.844 | S | S | * | * | trans | -47.1 | 114.5 | 173.5 | -179.4 | 177.4 | 82.9 | 0 | 0 | 115.1 | ||||
| 547 | I | 43.8 | Very low | 42.9 | Very low | 162 Ų | 162 | 155.9 Ų | 155.9 | 83% | 0.831 | 85% | 0.85 | S | S | * | * | trans | -128.6 | 135.4 | 165.4 | -65.9 | -176.1 | 0 | 0 | 0 | 110.7 | L545 | L545-I547 PolarHBondContact O-N 2.75Š| ||
| 548 | Q | 49.8 | Very low | 43.1 | Very low | 165 Ų | 165 | 159.5 Ų | 159.5 | 77% | 0.771 | 86% | 0.857 | S | S | * | * | trans | -88.5 | 158.5 | 178.5 | -57.3 | 165.9 | 0.2 | 0 | 0 | 111.3 | ||||
| 549 | V | 43.2 | Very low | 43.2 | Very low | 137 Ų | 137 | 161.8 Ų | 161.8 | 83% | 0.83 | 87% | 0.87 | S | S | * | * | 159.5 | 141.7 | 125.1 | 156.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 550 | A | 44.6 | Very low | 43.4 | Very low | 172 Ų | 172 | 164.5 Ų | 164.5 | 100% | 1.421 | 89% | 0.886 | S | S | * | * | trans | 67.7 | 0 | 164 | 0 | 0 | 0 | 0 | 0 | 118.2 |
Retrieved 550 of 550 residues in 79.7 ms
(Link to these results)