| 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 | 34.8 | Very low | 36.1 | Very low | 246 Ų | 246 | 166.5 Ų | 166.5 | 100% | 1.212 | 84% | 0.836 | S | S | * | * | 0 | 143.5 | 0 | -71.3 | 175.4 | 174.6 | 0 | 0 | 107.6 | |||||
| 2 | F | 35 | Very low | 35.8 | Very low | 211 Ų | 211 | 168.9 Ų | 168.9 | 93% | 0.925 | 84% | 0.837 | S | S | * | * | trans | -106.9 | 162.7 | -159.1 | -106.7 | -90.6 | 0 | 0 | 0 | 114.9 | ||||
| 3 | E | 34.3 | Very low | 35.7 | Very low | 142 Ų | 142 | 170.2 Ų | 170.2 | 66% | 0.664 | 84% | 0.839 | S | S | * | * | trans | 87.1 | 102.6 | 151.6 | -142.2 | -178.4 | 163 | 0 | 0 | 119.5 | K5 | E3-K5 IonicContact OE1-NZ 2.59Å; E3-K5 PolarHBondContact OE1-NZ 2.59Å | ||
| 4 | A | 30 | Very low | 35.1 | Very low | 105 Ų | 105 | 165.5 Ų | 165.5 | 87% | 0.868 | 83% | 0.832 | S | S | * | * | trans | -120.6 | 121.7 | 156.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 5 | K | 46.5 | Very low | 35.2 | Very low | 168 Ų | 168 | 161.3 Ų | 161.3 | 73% | 0.73 | 82% | 0.824 | S | S | * | * | trans | -104.7 | 163 | 168.7 | -87.3 | -173 | 170.8 | 90.1 | 0 | 108.7 | E3 | E3-K5 IonicContact OE1-NZ 2.59Å; E3-K5 PolarHBondContact OE1-NZ 2.59Å | ||
| 6 | P | 55.5 | Low | 35 | Very low | 111 Ų | 111 | 159.8 Ų | 159.8 | 72% | 0.721 | 83% | 0.825 | S | S | * | * | cis | -136.5 | -150.5 | -24.2 | 35.3 | -13.7 | 0 | 0 | 0 | 111.1 | ||||
| 7 | R | 27.1 | Very low | 34.6 | Very low | 219 Ų | 219 | 160.2 Ų | 160.2 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | trans | 90.7 | 106.7 | 154.7 | -88.7 | -178.9 | 176.8 | 179.5 | -1.4 | 121 | ||||
| 8 | T | 34.2 | Very low | 34.8 | Very low | 124 Ų | 124 | 158.3 Ų | 158.3 | 76% | 0.761 | 82% | 0.82 | S | S | * | * | 49.5 | 131.4 | 123.2 | 59.4 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 9 | V | 30.4 | Very low | 34.6 | Very low | 137 Ų | 137 | 157.8 Ų | 157.8 | 83% | 0.83 | 82% | 0.819 | S | S | * | * | trans | -155.7 | 155 | 136.6 | 126.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 10 | E | 34.4 | Very low | 34.6 | Very low | 172 Ų | 172 | 157.6 Ų | 157.6 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -78.5 | 164.2 | 178.8 | -48.1 | 169.6 | 128.3 | 0 | 0 | 113.6 | ||||
| 11 | K | 34.6 | Very low | 34.4 | Very low | 197 Ų | 197 | 152.5 Ų | 152.5 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | trans | -166 | 124.7 | 141.3 | -96.6 | 140.1 | -176.2 | -177.1 | 0 | 107 | ||||
| 12 | K | 32.5 | Very low | 34.3 | Very low | 195 Ų | 195 | 149 Ų | 149 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | cis | 75.4 | 113.1 | 38.2 | -162.1 | 176.1 | -177.6 | 177.7 | 0 | 113.2 | ||||
| 13 | E | 34.6 | Very low | 34.1 | Very low | 185 Ų | 185 | 142.7 Ų | 142.7 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -87.8 | -179.7 | -174.8 | -58.1 | 163.6 | -177.5 | 0 | 0 | 112.8 | ||||
| 14 | S | 28 | Very low | 34.1 | Very low | 105 Ų | 105 | 142 Ų | 142 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | 83.5 | 86 | 163.5 | -173.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 15 | S | 36.1 | Very low | 34.4 | Very low | 102 Ų | 102 | 142.7 Ų | 142.7 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | 65.7 | 156.5 | 112.6 | -53.2 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 16 | T | 32.3 | Very low | 33.7 | Very low | 138 Ų | 138 | 137.8 Ų | 137.8 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | trans | 70.5 | 150.1 | 168.4 | 48.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 17 | E | 28 | Very low | 32.6 | Very low | 167 Ų | 167 | 143.7 Ų | 143.7 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | cis | -151.1 | 173.4 | 21.9 | -157 | 174.7 | 163.2 | 0 | 0 | 113 | ||||
| 18 | T | 37.6 | Very low | 33.1 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 77% | 0.767 | 79% | 0.788 | S | S | * | * | trans | 70.9 | 141 | 172.4 | 68 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 19 | D | 31.6 | Very low | 33.1 | Very low | 150 Ų | 150 | 143.3 Ų | 143.3 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | cis | -168.9 | 173.2 | -25.3 | -135.1 | -2.2 | 0 | 0 | 0 | 107.5 | ||||
| 20 | E | 35.2 | Very low | 33.3 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 71% | 0.71 | 78% | 0.783 | S | S | * | * | cis | -154.6 | 159.1 | -4.8 | -158.5 | -74.4 | -72.5 | 0 | 0 | 107.3 | ||||
| 21 | G | 29.6 | Very low | 33.6 | Very low | 51 Ų | 51 | 138.9 Ų | 138.9 | 53% | 0.526 | 78% | 0.775 | S | S | . | * | trans | 80.7 | 136.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 22 | L | 33.8 | Very low | 33.7 | Very low | 172 Ų | 172 | 134.6 Ų | 134.6 | 90% | 0.901 | 77% | 0.77 | S | S | * | * | cis | -153.1 | 145.4 | -4.8 | -78.6 | 171.1 | 0 | 0 | 0 | 108.8 | ||||
| 23 | G | 29.4 | Very low | 33.9 | Very low | 79 Ų | 79 | 129.9 Ų | 129.9 | 81% | 0.814 | 76% | 0.762 | S | S | * | * | trans | 132.7 | 107.4 | 156.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 24 | S | 34.6 | Very low | 34.1 | Very low | 127 Ų | 127 | 129 Ų | 129 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | trans | -32.7 | 154.8 | 166.3 | -57.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 25 | S | 35.8 | Very low | 34.4 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | cis | 175.4 | 154.5 | -11.4 | -179.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 26 | G | 32.1 | Very low | 34.3 | Very low | 65 Ų | 65 | 129 Ų | 129 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | cis | 158.5 | -162.2 | 2.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 27 | R | 33.6 | Very low | 34.1 | Very low | 235 Ų | 235 | 128.3 Ų | 128.3 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | trans | 75.6 | 85.7 | 176.1 | -60.7 | -168 | 175.6 | -146.9 | -2 | 119.5 | ||||
| 28 | H | 36.8 | Very low | 34.4 | Very low | 152 Ų | 152 | 126.4 Ų | 126.4 | 70% | 0.704 | 78% | 0.779 | S | S | * | * | 21.6 | 160.3 | 122.2 | -44.6 | -84 | 0 | 0 | 0 | 122 | |||||
| 29 | Y | 34 | Very low | 34.2 | Very low | 184 Ų | 184 | 125.2 Ų | 125.2 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | cis | -163.2 | 131.2 | 37.6 | -117.2 | -62.1 | 0 | 0 | 0 | 115.2 | ||||
| 30 | T | 35.7 | Very low | 34.1 | Very low | 124 Ų | 124 | 121.9 Ų | 121.9 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | trans | 60.3 | 157.3 | 143.8 | 38.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 31 | S | 38.9 | Very low | 34.1 | Very low | 91 Ų | 91 | 121 Ų | 121 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | cis | -167.2 | 135.2 | -8.8 | -176.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 32 | S | 37.2 | Very low | 34.3 | Very low | 107 Ų | 107 | 122.3 Ų | 122.3 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | 52.4 | 166.6 | 142.4 | 75.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 33 | S | 36.8 | Very low | 34.3 | Very low | 97 Ų | 97 | 119.5 Ų | 119.5 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | cis | -155.9 | 140 | 5.1 | -153.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 34 | L | 39.5 | Very low | 34.7 | Very low | 167 Ų | 167 | 123 Ų | 123 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | 27.6 | 110.3 | 146.7 | -58.8 | 172.7 | 0 | 0 | 0 | 122.5 | ||||
| 35 | G | 34.2 | Very low | 34.8 | Very low | 81 Ų | 81 | 128.1 Ų | 128.1 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | 89 | 127.2 | 92.1 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 36 | S | 32.6 | Very low | 34.8 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -179.2 | 158.6 | 133.7 | -166.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 37 | C | 29.3 | Very low | 34.8 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | trans | -108.6 | 154.3 | 176.3 | -52.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 38 | S | 33.8 | Very low | 34.8 | Very low | 126 Ų | 126 | 127.3 Ų | 127.3 | 88% | 0.881 | 80% | 0.799 | S | S | * | * | 176.1 | 165.3 | 125.5 | -160.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 39 | A | 32.9 | Very low | 35 | Very low | 100 Ų | 100 | 125.2 Ų | 125.2 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -65.2 | 160.7 | -175 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 40 | G | 30.5 | Very low | 35.3 | Very low | 81 Ų | 81 | 123 Ų | 123 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | 144.5 | 62.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 41 | S | 36.1 | Very low | 35.3 | Very low | 134 Ų | 134 | 124.3 Ų | 124.3 | 94% | 0.937 | 80% | 0.799 | S | S | * | * | trans | -89.4 | 144.3 | 168.8 | -172.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 42 | G | 32.3 | Very low | 35.4 | Very low | 78 Ų | 78 | 131.8 Ų | 131.8 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | 144 | 14.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 43 | S | 35.2 | Very low | 35.5 | Very low | 112 Ų | 112 | 132 Ų | 132 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | -155.9 | 160.2 | 167.4 | -150.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 44 | L | 36.8 | Very low | 35.4 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 80% | 0.796 | 82% | 0.819 | S | S | * | * | trans | 62.6 | 108.9 | -178.7 | -57.9 | 170.1 | 0 | 0 | 0 | 115.6 | ||||
| 45 | Y | 37.5 | Very low | 35.1 | Very low | 236 Ų | 236 | 130.3 Ų | 130.3 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | -126.1 | 131.9 | 127.8 | -118.2 | -86.4 | 0 | 0 | 0 | 109.5 | |||||
| 46 | L | 34.7 | Very low | 35.3 | Very low | 156 Ų | 156 | 132.6 Ų | 132.6 | 82% | 0.817 | 81% | 0.806 | S | S | * | * | trans | -102.5 | 114.9 | 179.3 | -173 | 75.1 | 0 | 0 | 0 | 106.7 | D48 | L46-D48 PolarHBondContact O-N 2.74Š| ||
| 47 | S | 33.5 | Very low | 35.3 | Very low | 106 Ų | 106 | 131.8 Ų | 131.8 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | -77.8 | 91.5 | -179.4 | -62.6 | 0 | 0 | 0 | 0 | 111 | S49 | S47-S49 PolarHBondContact O-OG 2.77Š| ||
| 48 | D | 33.2 | Very low | 35.5 | Very low | 141 Ų | 141 | 131.9 Ų | 131.9 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | trans | -54.8 | 136.2 | 167.8 | -164.8 | 4.2 | 0 | 0 | 0 | 110.2 | L46 | L46-D48 PolarHBondContact O-N 2.74Š| ||
| 49 | S | 40.5 | Very low | 35.4 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -137.8 | 67.2 | -162.5 | -67.5 | 0 | 0 | 0 | 0 | 110.5 | S47 | S47-S49 PolarHBondContact O-OG 2.77Š| ||
| 50 | Q | 39.4 | Very low | 35.9 | Very low | 137 Ų | 137 | 132.6 Ų | 132.6 | 64% | 0.64 | 80% | 0.797 | S | S | * | * | trans | -121.1 | 20.4 | -157.8 | -163.9 | 43.9 | 92 | 0 | 0 | 115.6 | ||||
| 51 | D | 36.4 | Very low | 36.1 | Very low | 152 Ų | 152 | 136.3 Ų | 136.3 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -100.7 | 4.7 | -173.9 | -84 | -48.7 | 0 | 0 | 0 | 117 | ||||
| 52 | W | 41.2 | Very low | 36.3 | Very low | 248 Ų | 248 | 138.6 Ų | 138.6 | 94% | 0.939 | 79% | 0.794 | S | S | * | * | trans | -116.8 | 35 | -171.5 | -70.8 | 81 | 0 | 0 | 0 | 115.5 | ||||
| 53 | V | 38.7 | Very low | 37 | Very low | 112 Ų | 112 | 140.3 Ų | 140.3 | 68% | 0.679 | 79% | 0.791 | S | S | * | * | trans | -136.5 | 88.9 | 168.6 | -171.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 54 | V | 35.8 | Very low | 37.7 | Very low | 142 Ų | 142 | 141 Ų | 141 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | -127 | 88.3 | 159.8 | -176.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 55 | S | 32.8 | Very low | 37.7 | Very low | 87 Ų | 87 | 139.8 Ų | 139.8 | 61% | 0.608 | 79% | 0.792 | S | S | * | * | trans | -74.4 | 131.5 | 162.7 | -54.4 | 0 | 0 | 0 | 0 | 108.8 | S57 | S55-S57 VanDerWaalsContact C-N 3.32Å; S55-S57 PolarHBondContact O-N 2.79Å | ||
| 56 | P | 37.8 | Very low | 38.1 | Very low | 128 Ų | 128 | 136 Ų | 136 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | trans | -75.1 | 82.8 | -178.2 | 30.2 | -34.9 | 0 | 0 | 0 | 111.3 | ||||
| 57 | S | 32.3 | Very low | 39 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 132.2 | 170.5 | -65.2 | 0 | 0 | 0 | 0 | 110.4 | S55 | S55-S57 VanDerWaalsContact C-N 3.32Å; S55-S57 PolarHBondContact O-N 2.79Å |
| 58 | C | 33.3 | Very low | 39.6 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -61 | 137.7 | -170.6 | -53.4 | 0 | 0 | 0 | 0 | 114.3 | ||
| 59 | S | 32.7 | Very low | 40.6 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 131.7 | 153.8 | 53.3 | 0 | 0 | 0 | 0 | 109.6 | D61 | S59-D61 PolarHBondContact O-N 2.81Š|
| 60 | P | 43.3 | Very low | 41.6 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -89.3 | 85.8 | -173.3 | 34.6 | -34.9 | 0 | 0 | 0 | 112.4 | ||
| 61 | D | 34.1 | Very low | 43 | Very low | 159 Ų | 159 | 132.1 Ų | 132.1 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | trans | -160 | 77 | 159.5 | -123.5 | -16.5 | 0 | 0 | 0 | 113.7 | S59 | S59-D61 PolarHBondContact O-N 2.81Š| ||
| 62 | E | 41.2 | Very low | 44.7 | Very low | 183 Ų | 183 | 130 Ų | 130 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -145.5 | 140.3 | 146.2 | -88.4 | -146.9 | 114.7 | 0 | 0 | 109.8 | ||
| 63 | P | 47.4 | Very low | 46.2 | Very low | 113 Ų | 113 | 124 Ų | 124 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | trans | -70.6 | 144.4 | 175.6 | 29.4 | -33.7 | 0 | 0 | 0 | 111.4 | T65 | P63-T65 PolarHBondContact O-N 3.14Š| ||
| 64 | P | 50 | Low | 48.1 | Very low | 127 Ų | 127 | 123.5 Ų | 123.5 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | trans | -85.1 | 122.3 | -153.4 | 31 | -36.7 | 0 | 0 | 0 | 114.7 | ||||
| 65 | T | 37 | Very low | 50.1 | Low | 126 Ų | 126 | 118.7 Ų | 118.7 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | trans | -148 | 146 | 151 | -18.8 | 0 | 0 | 0 | 0 | 113 | P63 | P63-T65 PolarHBondContact O-N 3.14Š| ||
| 66 | Q | 45.8 | Very low | 52.3 | Low | 158 Ų | 158 | 118.8 Ų | 118.8 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | trans | 65.5 | 76.7 | 165.5 | -52.1 | -168.9 | 27.1 | 0 | 0 | 118 | S68 | Q66-S68 PolarHBondContact O-N 3.5Š| ||
| 67 | I | 53.6 | Low | 54.3 | Low | 185 Ų | 185 | 117.3 Ų | 117.3 | 95% | 0.949 | 69% | 0.686 | S | S | * | * | trans | -67.2 | 91.4 | 145.5 | -58.4 | 173.8 | 0 | 0 | 0 | 107.1 | ||||
| 68 | S | 44.5 | Very low | 56.9 | Low | 83 Ų | 83 | 115.3 Ų | 115.3 | 58% | 0.58 | 67% | 0.669 | S | S | * | * | trans | -102.6 | 131.8 | 176.3 | -81.3 | 0 | 0 | 0 | 0 | 110.8 | Q66 | Q66-S68 PolarHBondContact O-N 3.5Š| ||
| 69 | S | 54.5 | Low | 59.2 | Low | 109 Ų | 109 | 113.8 Ų | 113.8 | 76% | 0.762 | 65% | 0.652 | S | S | * | * | trans | -26.7 | 130.5 | 174.7 | 52.3 | 0 | 0 | 0 | 0 | 115.8 | S71 | S69-S71 PolarHBondContact O-N 3.32Å; S69-S71 VanDerWaalsContact O-N 3.13Å | ||
| 70 | I | 61.8 | Low | 61.6 | Low | 127 Ų | 127 | 113 Ų | 113 | 65% | 0.651 | 63% | 0.632 | S | S | * | * | trans | -48.6 | 121.7 | 165 | -66.9 | 174.6 | 0 | 0 | 0 | 108.6 | L74 A75 | I70-L74 HydrophobicContact CG2-CB 4.14Å; I70-L74 HydrophobicContact CG2-CD2 4.25Å; I70-L74 HydrophobicContact CG2-CG 4.21Å; I70-A75 HydrophobicContact CG2-CB 4.17Å | ||
| 71 | S | 69.8 | Low | 63.6 | Low | 60 Ų | 60 | 115.1 Ų | 115.1 | 42% | 0.42 | 63% | 0.625 | S | S | . | * | trans | -56.4 | 138.3 | -179.4 | 176.6 | 0 | 0 | 0 | 0 | 110.4 | S69 M73 L74 A75 | S69-S71 PolarHBondContact O-N 3.32Å; S69-S71 VanDerWaalsContact O-N 3.13Å; S71-M73 PolarHBondContact O-N 2.92Å; S71-M73 VanDerWaalsContact O-N 3.15Å; S71-L74 WeakPolarHBondContact O-CA 3.3Å; S71-L74 WeakPolarHBondContact O-CB 3.44Å; S71-L74 PolarHBondContact O-N 3.36Å; S71-A75 PolarHBondContact O-N 3.33Å | ||
| 72 | P | 72.1 | Confident | 66.2 | Low | 108 Ų | 108 | 112.6 Ų | 112.6 | 70% | 0.701 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -57.8 | -30.9 | 178.7 | 22.4 | -33 | 0 | 0 | 0 | 112.4 | A75 E76 | P72-A75 PolarHBondContact O-N 3.46Å; P72-E76 VanDerWaalsContact O-CB 3.27Å; P72-E76 WeakPolarHBondContact O-CB 3.31Å; P72-E76 PolarHBondContact O-N 2.95Å |
| 73 | M | 72.6 | Confident | 68.4 | Low | 122 Ų | 122 | 108.4 Ų | 108.4 | 60% | 0.601 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -59 | -44 | 169.7 | -81.2 | -66.7 | -54.1 | 0 | 0 | 112.8 | S71 E76 E77 | S71-M73 PolarHBondContact O-N 2.92Å; S71-M73 VanDerWaalsContact O-N 3.15Å; M73-E76 PolarHBondContact O-N 3.18Å; M73-E77 WeakPolarHBondContact O-CB 3.4Å; M73-E77 PolarHBondContact O-N 2.9Å |
| 74 | L | 78.8 | Confident | 70.2 | Confident | 102 Ų | 102 | 108.6 Ų | 108.6 | 53% | 0.534 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -74.7 | -35.8 | -179.2 | -177.8 | 59.6 | 0 | 0 | 0 | 111.6 | I70 S71 T78 | I70-L74 HydrophobicContact CG2-CB 4.14Å; I70-L74 HydrophobicContact CG2-CD2 4.25Å; I70-L74 HydrophobicContact CG2-CG 4.21Å; S71-L74 WeakPolarHBondContact O-CA 3.3Å; S71-L74 WeakPolarHBondContact O-CB 3.44Å; S71-L74 PolarHBondContact O-N 3.36Å; L74-T78 VanDerWaalsContact O-CB 3.31Å; L74-T78 WeakPolarHBondContact O-CB 3.31Å; L74-T78 PolarHBondContact O-N 3.09Å; L74-T78 PolarHBondContact O-OG1 2.97Å |
| 75 | A | 77.1 | Confident | 71.9 | Confident | 40 Ų | 40 | 103.5 Ų | 103.5 | 33% | 0.331 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.3 | -43.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I70 S71 P72 T78 L79 | I70-A75 HydrophobicContact CG2-CB 4.17Å; S71-A75 PolarHBondContact O-N 3.33Å; P72-A75 PolarHBondContact O-N 3.46Å; A75-T78 PolarHBondContact O-N 3.33Å; A75-L79 WeakPolarHBondContact O-CB 3.46Å; A75-L79 WeakPolarHBondContact O-CG 3.48Å; A75-L79 PolarHBondContact O-N 3.32Å |
| 76 | E | 78.2 | Confident | 74.1 | Confident | 90 Ų | 90 | 100.1 Ų | 100.1 | 42% | 0.421 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 176.2 | -164.4 | -168.3 | -150.5 | 0 | 0 | 111.7 | P72 M73 L79 R80 | P72-E76 VanDerWaalsContact O-CB 3.27Å; P72-E76 WeakPolarHBondContact O-CB 3.31Å; P72-E76 PolarHBondContact O-N 2.95Å; M73-E76 PolarHBondContact O-N 3.18Å; E76-L79 CarbonylContact O-C 3.56Å; E76-L79 WeakPolarHBondContact O-CB 3.4Å; E76-L79 PolarHBondContact O-N 3.41Å; E76-R80 VanDerWaalsContact CD-CZ 3.43Å; E76-R80 WeakPolarHBondContact O-CG 3.48Å; E76-R80 PolarHBondContact O-N 2.9Å; E76-R80 IonicContact OE1-CZ 2.92Å; E76-R80 IonicContact OE1-NH2 3.24Å; E76-R80 PolarHBondContact OE1-NH2 3.37Å; E76-R80 IonicContact OE2-CZ 3.17Å; E76-R80 IonicContact OE2-NH1 2.79Å; E76-R80 PolarHBondContact OE2-NH1 2.91Å; E76-R80 IonicContact OE2-NH2 2.76Å; E76-R80 PolarHBondContact OE2-NH2 2.84Å |
| 77 | E | 81.3 | Confident | 75.8 | Confident | 96 Ų | 96 | 96.5 Ų | 96.5 | 45% | 0.449 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.4 | -33.8 | 178.2 | -155.7 | 58.6 | -142.7 | 0 | 0 | 112.5 | M73 L79 R80 Y81 | M73-E77 WeakPolarHBondContact O-CB 3.4Å; M73-E77 PolarHBondContact O-N 2.9Å; E77-L79 VanDerWaalsContact C-N 3.34Å; E77-R80 PolarHBondContact O-N 3.35Å; E77-R80 WeakPolarHBondContact OE2-CD 3.32Å; E77-R80 IonicContact OE2-CZ 2.7Å; E77-R80 IonicContact OE2-NE 3.4Å; E77-R80 IonicContact OE2-NH1 3.8Å; E77-R80 PolarHBondContact OE2-NH1 3.39Å; E77-Y81 WeakPolarHBondContact O-CB 3.31Å; E77-Y81 PolarHBondContact O-N 2.81Å |
| 78 | T | 85.1 | Confident | 77.3 | Confident | 67 Ų | 67 | 94.9 Ų | 94.9 | 41% | 0.411 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.4 | -37.8 | 171.2 | -54 | 0 | 0 | 0 | 0 | 110.7 | L74 A75 Y81 M82 | L74-T78 VanDerWaalsContact O-CB 3.31Å; L74-T78 WeakPolarHBondContact O-CB 3.31Å; L74-T78 PolarHBondContact O-N 3.09Å; L74-T78 PolarHBondContact O-OG1 2.97Å; A75-T78 PolarHBondContact O-N 3.33Å; T78-Y81 PolarHBondContact O-N 2.91Å; T78-M82 HydrophobicContact CG2-CE 4.21Å; T78-M82 WeakPolarHBondContact O-CB 3.33Å; T78-M82 WeakPolarHBondContact O-CG 3.45Å; T78-M82 PolarHBondContact O-N 3.43Å |
| 79 | L | 82.6 | Confident | 79.2 | Confident | 95 Ų | 95 | 94.9 Ų | 94.9 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 171.4 | -77.2 | 162 | 0 | 0 | 0 | 111.7 | A75 E76 E77 Y81 M82 I83 | A75-L79 WeakPolarHBondContact O-CB 3.46Å; A75-L79 WeakPolarHBondContact O-CG 3.48Å; A75-L79 PolarHBondContact O-N 3.32Å; E76-L79 CarbonylContact O-C 3.56Å; E76-L79 WeakPolarHBondContact O-CB 3.4Å; E76-L79 PolarHBondContact O-N 3.41Å; E77-L79 VanDerWaalsContact C-N 3.34Å; L79-Y81 PolarHBondContact O-N 3.06Å; L79-M82 HydrophobicContact CD2-CE 3.86Å; L79-M82 HydrophobicContact CG-CE 4.29Å; L79-M82 PolarHBondContact O-N 2.89Å; L79-I83 WeakPolarHBondContact O-CB 3.28Å; L79-I83 WeakPolarHBondContact O-CD1 3.4Å; L79-I83 WeakPolarHBondContact O-CG1 3.5Å; L79-I83 PolarHBondContact O-N 3.38Å |
| 80 | R | 83.4 | Confident | 80.4 | Confident | 96 Ų | 96 | 95.3 Ų | 95.3 | 36% | 0.362 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.8 | -45.8 | 172.5 | -72.7 | -177 | -175.7 | 101.4 | 9.5 | 111.1 | E76 E77 I83 L84 | E76-R80 VanDerWaalsContact CD-CZ 3.43Å; E76-R80 WeakPolarHBondContact O-CG 3.48Å; E76-R80 PolarHBondContact O-N 2.9Å; E76-R80 IonicContact OE1-CZ 2.92Å; E76-R80 IonicContact OE1-NH2 3.24Å; E76-R80 PolarHBondContact OE1-NH2 3.37Å; E76-R80 IonicContact OE2-CZ 3.17Å; E76-R80 IonicContact OE2-NH1 2.79Å; E76-R80 PolarHBondContact OE2-NH1 2.91Å; E76-R80 IonicContact OE2-NH2 2.76Å; E76-R80 PolarHBondContact OE2-NH2 2.84Å; E77-R80 PolarHBondContact O-N 3.35Å; E77-R80 WeakPolarHBondContact OE2-CD 3.32Å; E77-R80 IonicContact OE2-CZ 2.7Å; E77-R80 IonicContact OE2-NE 3.4Å; E77-R80 IonicContact OE2-NH1 3.8Å; E77-R80 PolarHBondContact OE2-NH1 3.39Å; R80-I83 PolarHBondContact O-N 3.3Å; R80-L84 WeakPolarHBondContact O-CB 3.41Å; R80-L84 VanDerWaalsContact O-CG 3.28Å; R80-L84 WeakPolarHBondContact O-CG 3.25Å; R80-L84 PolarHBondContact O-N 3.46Å |
| 81 | Y | 86.1 | Confident | 81.1 | Confident | 171 Ų | 171 | 95.8 Ų | 95.8 | 67% | 0.671 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.3 | -44.2 | 176.7 | -176 | -91.5 | 0 | 0 | 0 | 112.1 | E77 T78 L79 L84 G85 | E77-Y81 WeakPolarHBondContact O-CB 3.31Å; E77-Y81 PolarHBondContact O-N 2.81Å; T78-Y81 PolarHBondContact O-N 2.91Å; L79-Y81 PolarHBondContact O-N 3.06Å; Y81-L84 PolarHBondContact O-N 3.21Å; Y81-G85 PolarHBondContact O-N 3.08Å |
| 82 | M | 88.6 | Confident | 81.3 | Confident | 107 Ų | 107 | 97.4 Ų | 97.4 | 53% | 0.527 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.2 | -37.2 | 176.3 | -72.4 | -172.4 | -60.2 | 0 | 0 | 112.6 | T78 L79 G85 A86 | T78-M82 HydrophobicContact CG2-CE 4.21Å; T78-M82 WeakPolarHBondContact O-CB 3.33Å; T78-M82 WeakPolarHBondContact O-CG 3.45Å; T78-M82 PolarHBondContact O-N 3.43Å; L79-M82 HydrophobicContact CD2-CE 3.86Å; L79-M82 HydrophobicContact CG-CE 4.29Å; L79-M82 PolarHBondContact O-N 2.89Å; M82-G85 PolarHBondContact O-N 3.47Å; M82-A86 VanDerWaalsContact O-CB 3.25Å; M82-A86 WeakPolarHBondContact O-CB 3.19Å; M82-A86 PolarHBondContact O-N 3.27Å |
| 83 | I | 85.9 | Confident | 81.4 | Confident | 95 Ų | 95 | 95.6 Ų | 95.6 | 49% | 0.487 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70 | -41.2 | 175.6 | -69.6 | 164.2 | 0 | 0 | 0 | 110.8 | L79 R80 G85 A86 N87 | L79-I83 WeakPolarHBondContact O-CB 3.28Å; L79-I83 WeakPolarHBondContact O-CD1 3.4Å; L79-I83 WeakPolarHBondContact O-CG1 3.5Å; L79-I83 PolarHBondContact O-N 3.38Å; R80-I83 PolarHBondContact O-N 3.3Å; I83-G85 VanDerWaalsContact C-N 3.35Å; I83-A86 PolarHBondContact O-N 3.19Å; I83-N87 VanDerWaalsContact O-CB 3.29Å; I83-N87 WeakPolarHBondContact O-CB 3.41Å; I83-N87 PolarHBondContact O-N 3.03Å; I83-N87 PolarHBondContact O-ND2 3.22Å; I83-N87 PolarHBondContact O-OD1 2.87Å |
| 84 | L | 86.3 | Confident | 81.5 | Confident | 116 Ų | 116 | 96.4 Ų | 96.4 | 61% | 0.607 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.5 | -37.3 | 173.7 | -72.6 | 168.7 | 0 | 0 | 0 | 111.8 | R80 Y81 R88 | R80-L84 WeakPolarHBondContact O-CB 3.41Å; R80-L84 VanDerWaalsContact O-CG 3.28Å; R80-L84 WeakPolarHBondContact O-CG 3.25Å; R80-L84 PolarHBondContact O-N 3.46Å; Y81-L84 PolarHBondContact O-N 3.21Å; L84-R88 VanDerWaalsContact O-CB 3.31Å; L84-R88 WeakPolarHBondContact O-CB 3.47Å; L84-R88 PolarHBondContact O-N 3.37Å |
| 85 | G | 85.4 | Confident | 81.1 | Confident | 21 Ų | 21 | 94.4 Ų | 94.4 | 22% | 0.216 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -62.7 | -48 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y81 M82 I83 R88 V89 | Y81-G85 PolarHBondContact O-N 3.08Å; M82-G85 PolarHBondContact O-N 3.47Å; I83-G85 VanDerWaalsContact C-N 3.35Å; G85-R88 PolarHBondContact O-N 2.89Å; G85-V89 WeakPolarHBondContact O-CB 3.41Å; G85-V89 WeakPolarHBondContact O-CG2 3.31Å; G85-V89 PolarHBondContact O-N 3.23Å |
| 86 | A | 83.5 | Confident | 80.9 | Confident | 55 Ų | 55 | 100.5 Ų | 100.5 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | M82 I83 R88 V89 E90 | M82-A86 VanDerWaalsContact O-CB 3.25Å; M82-A86 WeakPolarHBondContact O-CB 3.19Å; M82-A86 PolarHBondContact O-N 3.27Å; I83-A86 PolarHBondContact O-N 3.19Å; A86-R88 VanDerWaalsContact C-N 3.33Å; A86-R88 PolarHBondContact O-N 2.99Å; A86-V89 PolarHBondContact O-N 2.91Å; A86-E90 WeakPolarHBondContact O-CB 3.27Å; A86-E90 PolarHBondContact O-N 2.91Å |
| 87 | N | 80.6 | Confident | 80.9 | Confident | 82 Ų | 82 | 101.9 Ų | 101.9 | 44% | 0.439 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.4 | -38.3 | 176 | -69.7 | -13.2 | 0 | 0 | 0 | 111.9 | I83 Q91 | I83-N87 VanDerWaalsContact O-CB 3.29Å; I83-N87 WeakPolarHBondContact O-CB 3.41Å; I83-N87 PolarHBondContact O-N 3.03Å; I83-N87 PolarHBondContact O-ND2 3.22Å; I83-N87 PolarHBondContact O-OD1 2.87Å; N87-Q91 VanDerWaalsContact O-CB 3.23Å; N87-Q91 WeakPolarHBondContact O-CB 3.39Å; N87-Q91 PolarHBondContact O-N 3.37Å |
| 88 | R | 84.5 | Confident | 81.1 | Confident | 151 Ų | 151 | 100.7 Ų | 100.7 | 57% | 0.57 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.3 | -42.6 | 175.6 | -168.7 | -176.3 | 76.5 | -146.5 | 2.9 | 111.5 | L84 G85 A86 Q91 M92 | L84-R88 VanDerWaalsContact O-CB 3.31Å; L84-R88 WeakPolarHBondContact O-CB 3.47Å; L84-R88 PolarHBondContact O-N 3.37Å; G85-R88 PolarHBondContact O-N 2.89Å; A86-R88 VanDerWaalsContact C-N 3.33Å; A86-R88 PolarHBondContact O-N 2.99Å; R88-Q91 PolarHBondContact O-N 3.39Å; R88-M92 HydrophobicContact CG-SD 4.4Å; R88-M92 WeakPolarHBondContact O-CB 3.4Å; R88-M92 VanDerWaalsContact O-CG 3.27Å; R88-M92 WeakPolarHBondContact O-CG 3.32Å; R88-M92 PolarHBondContact O-N 3.49Å |
| 89 | V | 84.4 | Confident | 81.2 | Confident | 82 Ų | 82 | 103.7 Ų | 103.7 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.9 | -46.5 | 174.6 | 170 | 0 | 0 | 0 | 0 | 110.2 | G85 A86 Q91 M92 T93 | G85-V89 WeakPolarHBondContact O-CB 3.41Å; G85-V89 WeakPolarHBondContact O-CG2 3.31Å; G85-V89 PolarHBondContact O-N 3.23Å; A86-V89 PolarHBondContact O-N 2.91Å; V89-Q91 VanDerWaalsContact C-N 3.35Å; V89-Q91 PolarHBondContact O-N 3.37Å; V89-M92 PolarHBondContact O-N 2.9Å; V89-T93 VanDerWaalsContact O-CB 3.27Å; V89-T93 WeakPolarHBondContact O-CB 3.28Å; V89-T93 PolarHBondContact O-N 3.45Å; V89-T93 PolarHBondContact O-OG1 3.29Å |
| 90 | E | 80.4 | Confident | 81.4 | Confident | 118 Ų | 118 | 106.8 Ų | 106.8 | 55% | 0.551 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.1 | -44.7 | 175 | -170.1 | -169.5 | 150.2 | 0 | 0 | 111 | A86 T93 K94 | A86-E90 WeakPolarHBondContact O-CB 3.27Å; A86-E90 PolarHBondContact O-N 2.91Å; E90-T93 CarbonylContact O-C 3.59Å; E90-T93 PolarHBondContact O-N 2.92Å; E90-K94 WeakPolarHBondContact O-CB 3.47Å; E90-K94 PolarHBondContact O-N 2.85Å |
| 91 | Q | 76.9 | Confident | 81.6 | Confident | 138 Ų | 138 | 104.7 Ų | 104.7 | 65% | 0.645 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.3 | -43.6 | 177.8 | -173.3 | 174.2 | 4.1 | 0 | 0 | 112 | N87 R88 V89 K94 T95 | N87-Q91 VanDerWaalsContact O-CB 3.23Å; N87-Q91 WeakPolarHBondContact O-CB 3.39Å; N87-Q91 PolarHBondContact O-N 3.37Å; R88-Q91 PolarHBondContact O-N 3.39Å; V89-Q91 VanDerWaalsContact C-N 3.35Å; V89-Q91 PolarHBondContact O-N 3.37Å; Q91-K94 WeakPolarHBondContact O-CB 3.41Å; Q91-K94 PolarHBondContact O-N 2.83Å; Q91-T95 PolarHBondContact O-N 2.89Å; Q91-T95 PolarHBondContact O-OG1 2.9Å |
| 92 | M | 74.4 | Confident | 81.7 | Confident | 93 Ų | 93 | 98.4 Ų | 98.4 | 46% | 0.458 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.1 | -50.5 | 173.6 | -72.7 | 174.6 | 67.8 | 0 | 0 | 111.2 | R88 V89 K94 T95 Y96 | R88-M92 HydrophobicContact CG-SD 4.4Å; R88-M92 WeakPolarHBondContact O-CB 3.4Å; R88-M92 VanDerWaalsContact O-CG 3.27Å; R88-M92 WeakPolarHBondContact O-CG 3.32Å; R88-M92 PolarHBondContact O-N 3.49Å; V89-M92 PolarHBondContact O-N 2.9Å; M92-K94 PolarHBondContact O-N 2.93Å; M92-T95 WeakPolarHBondContact CA-OG1 3.22Å; M92-T95 PolarHBondContact O-N 2.92Å; M92-T95 VanDerWaalsContact O-N 3.17Å; M92-T95 PolarHBondContact O-OG1 3.45Å; M92-Y96 WeakPolarHBondContact O-CD2 3.33Å; M92-Y96 PolarHBondContact O-N 2.78Å |
| 93 | T | 74.3 | Confident | 81.7 | Confident | 71 Ų | 71 | 97 Ų | 97 | 44% | 0.436 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.2 | -35.8 | 175.9 | -65.6 | 0 | 0 | 0 | 0 | 111.3 | V89 E90 Y96 N97 | V89-T93 VanDerWaalsContact O-CB 3.27Å; V89-T93 WeakPolarHBondContact O-CB 3.28Å; V89-T93 PolarHBondContact O-N 3.45Å; V89-T93 PolarHBondContact O-OG1 3.29Å; E90-T93 CarbonylContact O-C 3.59Å; E90-T93 PolarHBondContact O-N 2.92Å; T93-Y96 CarbonylContact O-C 3.52Å; T93-Y96 PolarHBondContact O-N 3.39Å; T93-N97 WeakPolarHBondContact CG2-ND2 3.45Å; T93-N97 PolarHBondContact O-N 3.43Å; T93-N97 PolarHBondContact O-ND2 2.86Å |
| 94 | K | 74.4 | Confident | 81.9 | Confident | 139 Ų | 139 | 97.7 Ų | 97.7 | 60% | 0.604 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -68.5 | -43.7 | 176 | -168.8 | 169.6 | -168.7 | 162.8 | 0 | 111.6 | E90 Q91 M92 Y96 N97 D98 | E90-K94 WeakPolarHBondContact O-CB 3.47Å; E90-K94 PolarHBondContact O-N 2.85Å; Q91-K94 WeakPolarHBondContact O-CB 3.41Å; Q91-K94 PolarHBondContact O-N 2.83Å; M92-K94 PolarHBondContact O-N 2.93Å; K94-Y96 PolarHBondContact O-N 2.81Å; K94-N97 PolarHBondContact O-N 3.19Å; K94-D98 VanDerWaalsContact O-CB 3.28Å; K94-D98 WeakPolarHBondContact O-CB 3.3Å; K94-D98 PolarHBondContact O-N 3.49Å |
| 95 | T | 69.4 | Low | 82.1 | Confident | 59 Ų | 59 | 95.7 Ų | 95.7 | 36% | 0.362 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66 | -17.9 | 171.4 | 46.3 | 0 | 0 | 0 | 0 | 114.2 | Q91 M92 V101 V102 | Q91-T95 PolarHBondContact O-N 2.89Å; Q91-T95 PolarHBondContact O-OG1 2.9Å; M92-T95 WeakPolarHBondContact CA-OG1 3.22Å; M92-T95 PolarHBondContact O-N 2.92Å; M92-T95 VanDerWaalsContact O-N 3.17Å; M92-T95 PolarHBondContact O-OG1 3.45Å; T95-V101 HydrophobicContact CG2-CG1 4.26Å; T95-V102 VanDerWaalsContact O-CG2 3.23Å; T95-V102 WeakPolarHBondContact O-CG2 3.41Å |
| 96 | Y | 73.6 | Confident | 82.5 | Confident | 168 Ų | 168 | 99.3 Ų | 99.3 | 66% | 0.659 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -91.3 | -22.9 | 171.7 | -73.6 | -61.3 | 0 | 0 | 0 | 114.4 | M92 T93 K94 V102 | M92-Y96 WeakPolarHBondContact O-CD2 3.33Å; M92-Y96 PolarHBondContact O-N 2.78Å; T93-Y96 CarbonylContact O-C 3.52Å; T93-Y96 PolarHBondContact O-N 3.39Å; K94-Y96 PolarHBondContact O-N 2.81Å; Y96-V102 HydrophobicContact CD1-CG2 4.49Å |
| 97 | N | 77.1 | Confident | 82.9 | Confident | 120 Ų | 120 | 99 Ų | 99 | 64% | 0.642 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -90.6 | -19.9 | 173.9 | -77.9 | -88.8 | 0 | 0 | 0 | 112.4 | T93 K94 I99 | T93-N97 WeakPolarHBondContact CG2-ND2 3.45Å; T93-N97 PolarHBondContact O-N 3.43Å; T93-N97 PolarHBondContact O-ND2 2.86Å; K94-N97 PolarHBondContact O-N 3.19Å; N97-I99 PolarHBondContact O-N 2.89Å; N97-I99 VanDerWaalsContact O-N 3.15Å |
| 98 | D | 86.1 | Confident | 83.5 | Confident | 71 Ų | 71 | 97.8 Ų | 97.8 | 38% | 0.38 | 49% | 0.491 | S | S | . | . | trans | -75 | 95.9 | 169.7 | -168.5 | -34.9 | 0 | 0 | 0 | 109.6 | K94 E100 V101 V102 | K94-D98 VanDerWaalsContact O-CB 3.28Å; K94-D98 WeakPolarHBondContact O-CB 3.3Å; K94-D98 PolarHBondContact O-N 3.49Å; D98-E100 PolarHBondContact O-N 2.99Å; D98-E100 PolarHBondContact OD1-N 3.35Å; D98-V101 HydrophobicContact CB-CB 4.06Å; D98-V101 HydrophobicContact CB-CG2 4.06Å; D98-V101 PolarHBondContact O-N 2.93Å; D98-V101 VanDerWaalsContact O-N 3.17Å; D98-V101 PolarHBondContact OD1-N 3.46Å; D98-V101 VanDerWaalsContact OD1-N 3.16Å; D98-V102 WeakPolarHBondContact O-CG2 3.45Å; D98-V102 PolarHBondContact O-N 2.75Å | ||
| 99 | I | 86.4 | Confident | 84 | Confident | 130 Ų | 130 | 96.4 Ų | 96.4 | 67% | 0.667 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.6 | -30.2 | -175.6 | -59.4 | 174.4 | 0 | 0 | 0 | 111.3 | N97 T103 | N97-I99 PolarHBondContact O-N 2.89Å; N97-I99 VanDerWaalsContact O-N 3.15Å; I99-T103 HydrophobicContact CG2-CG2 4.19Å; I99-T103 WeakPolarHBondContact O-CB 3.36Å; I99-T103 VanDerWaalsContact O-CG2 3.32Å; I99-T103 WeakPolarHBondContact O-CG2 3.45Å; I99-T103 PolarHBondContact O-N 2.88Å; I99-T103 PolarHBondContact O-OG1 2.9Å |
| 100 | E | 87.8 | Confident | 84.5 | Confident | 160 Ų | 160 | 97.3 Ų | 97.3 | 75% | 0.748 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -71.3 | -40.9 | 178.1 | -61.7 | -174.7 | -178.4 | 0 | 0 | 110.5 | D98 T103 H104 | D98-E100 PolarHBondContact O-N 2.99Å; D98-E100 PolarHBondContact OD1-N 3.35Å; E100-T103 PolarHBondContact O-OG1 2.88Å; E100-H104 WeakPolarHBondContact O-CB 3.49Å; E100-H104 PolarHBondContact O-N 3.3Å |
| 101 | V | 87.3 | Confident | 85.2 | Confident | 51 Ų | 51 | 97 Ų | 97 | 31% | 0.309 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.2 | -44.1 | 173.7 | 175 | 0 | 0 | 0 | 0 | 111.6 | T95 D98 H104 L105 | T95-V101 HydrophobicContact CG2-CG1 4.26Å; D98-V101 HydrophobicContact CB-CB 4.06Å; D98-V101 HydrophobicContact CB-CG2 4.06Å; D98-V101 PolarHBondContact O-N 2.93Å; D98-V101 VanDerWaalsContact O-N 3.17Å; D98-V101 PolarHBondContact OD1-N 3.46Å; D98-V101 VanDerWaalsContact OD1-N 3.16Å; V101-H104 PolarHBondContact O-N 3.4Å; V101-L105 HydrophobicContact CG1-CD1 3.94Å; V101-L105 WeakPolarHBondContact O-CB 3.33Å; V101-L105 WeakPolarHBondContact O-CG 3.48Å; V101-L105 PolarHBondContact O-N 3.16Å |
| 102 | V | 88.7 | Confident | 86.2 | Confident | 40 Ų | 40 | 93.4 Ų | 93.4 | 24% | 0.242 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 177.1 | 176.7 | 0 | 0 | 0 | 0 | 111.6 | T95 Y96 D98 L105 L106 | T95-V102 VanDerWaalsContact O-CG2 3.23Å; T95-V102 WeakPolarHBondContact O-CG2 3.41Å; Y96-V102 HydrophobicContact CD1-CG2 4.49Å; D98-V102 WeakPolarHBondContact O-CG2 3.45Å; D98-V102 PolarHBondContact O-N 2.75Å; V102-L105 PolarHBondContact O-N 3.25Å; V102-L106 HydrophobicContact CG1-CD1 4Å; V102-L106 HydrophobicContact CG1-CG 4.42Å; V102-L106 WeakPolarHBondContact O-CG 3.31Å; V102-L106 PolarHBondContact O-N 3.44Å |
| 103 | T | 87.3 | Confident | 87.3 | Confident | 77 Ų | 77 | 94.6 Ų | 94.6 | 47% | 0.472 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70.4 | -33.3 | -179.8 | 51.4 | 0 | 0 | 0 | 0 | 112.4 | I99 E100 L106 A107 | I99-T103 HydrophobicContact CG2-CG2 4.19Å; I99-T103 WeakPolarHBondContact O-CB 3.36Å; I99-T103 VanDerWaalsContact O-CG2 3.32Å; I99-T103 WeakPolarHBondContact O-CG2 3.45Å; I99-T103 PolarHBondContact O-N 2.88Å; I99-T103 PolarHBondContact O-OG1 2.9Å; E100-T103 PolarHBondContact O-OG1 2.88Å; T103-L106 PolarHBondContact O-N 3.2Å; T103-A107 WeakPolarHBondContact O-CB 3.47Å; T103-A107 PolarHBondContact O-N 2.91Å |
| 104 | H | 90.8 | Very high | 88.3 | Confident | 109 Ų | 109 | 96 Ų | 96 | 51% | 0.505 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 169.1 | -176.5 | -76.9 | 0 | 0 | 0 | 111.9 | E100 V101 L106 A107 E108 | E100-H104 WeakPolarHBondContact O-CB 3.49Å; E100-H104 PolarHBondContact O-N 3.3Å; V101-H104 PolarHBondContact O-N 3.4Å; H104-L106 VanDerWaalsContact C-N 3.32Å; H104-L106 PolarHBondContact O-N 2.74Å; H104-A107 PolarHBondContact O-N 3.41Å; H104-E108 IonicContact CE1-OE1 3.91Å; H104-E108 WeakPolarHBondContact O-CB 3.32Å; H104-E108 PolarHBondContact O-N 2.91Å |
| 105 | L | 91.8 | Very high | 89.4 | Confident | 75 Ų | 75 | 94.1 Ų | 94.1 | 39% | 0.393 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.3 | -34.9 | 178.2 | -75.1 | 168.6 | 0 | 0 | 0 | 112.7 | V101 V102 E108 R109 | V101-L105 HydrophobicContact CG1-CD1 3.94Å; V101-L105 WeakPolarHBondContact O-CB 3.33Å; V101-L105 WeakPolarHBondContact O-CG 3.48Å; V101-L105 PolarHBondContact O-N 3.16Å; V102-L105 PolarHBondContact O-N 3.25Å; L105-E108 PolarHBondContact O-N 3.3Å; L105-R109 WeakPolarHBondContact O-CG 3.41Å; L105-R109 PolarHBondContact O-N 2.93Å |
| 106 | L | 92.6 | Very high | 90.7 | Very high | 97 Ų | 97 | 94 Ų | 94 | 51% | 0.508 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.5 | -49.2 | 172.9 | -72.2 | 171.1 | 0 | 0 | 0 | 111.4 | V102 T103 H104 E108 R109 D110 | V102-L106 HydrophobicContact CG1-CD1 4Å; V102-L106 HydrophobicContact CG1-CG 4.42Å; V102-L106 WeakPolarHBondContact O-CG 3.31Å; V102-L106 PolarHBondContact O-N 3.44Å; T103-L106 PolarHBondContact O-N 3.2Å; H104-L106 VanDerWaalsContact C-N 3.32Å; H104-L106 PolarHBondContact O-N 2.74Å; L106-E108 PolarHBondContact O-N 2.78Å; L106-E108 VanDerWaalsContact O-N 3.16Å; L106-R109 CarbonylContact O-C 3.59Å; L106-R109 PolarHBondContact O-N 3.05Å; L106-D110 PolarHBondContact O-N 2.77Å |
| 107 | A | 92.1 | Very high | 91.8 | Very high | 49 Ų | 49 | 89 Ų | 89 | 41% | 0.405 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.6 | -24 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T103 H104 R111 | T103-A107 WeakPolarHBondContact O-CB 3.47Å; T103-A107 PolarHBondContact O-N 2.91Å; H104-A107 PolarHBondContact O-N 3.41Å; A107-R111 WeakPolarHBondContact O-CG 3.4Å; A107-R111 PolarHBondContact O-N 3.44Å; A107-R111 PolarHBondContact O-NE 3.38Å |
| 108 | E | 93.5 | Very high | 92.8 | Very high | 55 Ų | 55 | 90.7 Ų | 90.7 | 26% | 0.257 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -75 | -46.2 | 169.8 | -173.3 | 153 | -94 | 0 | 0 | 113 | H104 L105 L106 D110 R111 D112 | H104-E108 IonicContact CE1-OE1 3.91Å; H104-E108 WeakPolarHBondContact O-CB 3.32Å; H104-E108 PolarHBondContact O-N 2.91Å; L105-E108 PolarHBondContact O-N 3.3Å; L106-E108 PolarHBondContact O-N 2.78Å; L106-E108 VanDerWaalsContact O-N 3.16Å; E108-D110 VanDerWaalsContact C-N 3.29Å; E108-D110 PolarHBondContact O-N 3Å; E108-R111 VanDerWaalsContact CB-NH2 3.34Å; E108-R111 WeakPolarHBondContact O-CB 3.32Å; E108-R111 PolarHBondContact O-N 3.31Å; E108-R111 IonicContact OE1-CZ 3.98Å; E108-R111 IonicContact OE1-NH1 3.64Å; E108-R111 IonicContact OE1-NH2 3.14Å; E108-R111 PolarHBondContact OE1-NH2 3.38Å; E108-D112 PolarHBondContact O-N 2.87Å |
| 109 | R | 95.3 | Very high | 93.3 | Very high | 122 Ų | 122 | 92.1 Ų | 92.1 | 46% | 0.46 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.4 | -36.6 | 172.6 | -70.1 | -61.7 | 91.8 | 73.2 | 2.4 | 112.4 | L105 L106 D112 L113 | L105-R109 WeakPolarHBondContact O-CG 3.41Å; L105-R109 PolarHBondContact O-N 2.93Å; L106-R109 CarbonylContact O-C 3.59Å; L106-R109 PolarHBondContact O-N 3.05Å; R109-D112 IonicContact CZ-OD2 2.74Å; R109-D112 IonicContact NE-OD2 3.15Å; R109-D112 PolarHBondContact NE-OD2 3.39Å; R109-D112 IonicContact NH2-OD2 3.66Å; R109-D112 PolarHBondContact NH2-OD2 3.42Å; R109-D112 PolarHBondContact O-N 2.84Å; R109-L113 WeakPolarHBondContact O-CB 3.32Å; R109-L113 VanDerWaalsContact O-CG 3.23Å; R109-L113 WeakPolarHBondContact O-CG 3.35Å; R109-L113 PolarHBondContact O-N 2.98Å |
| 110 | D | 94.9 | Very high | 93.8 | Very high | 101 Ų | 101 | 87.3 Ų | 87.3 | 54% | 0.54 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.2 | -40.7 | 175.9 | -68.9 | -26.5 | 0 | 0 | 0 | 111.2 | L106 E108 L113 E114 | L106-D110 PolarHBondContact O-N 2.77Å; E108-D110 VanDerWaalsContact C-N 3.29Å; E108-D110 PolarHBondContact O-N 3Å; D110-L113 PolarHBondContact O-N 3.14Å; D110-E114 WeakPolarHBondContact O-CB 3.42Å; D110-E114 PolarHBondContact O-N 3.1Å |
| 111 | R | 95.5 | Very high | 94.2 | Very high | 111 Ų | 111 | 85.1 Ų | 85.1 | 42% | 0.419 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 170.7 | -76.4 | -178.1 | -71.1 | 105.3 | -13.8 | 112.2 | A107 E108 L113 E114 L115 | A107-R111 WeakPolarHBondContact O-CG 3.4Å; A107-R111 PolarHBondContact O-N 3.44Å; A107-R111 PolarHBondContact O-NE 3.38Å; E108-R111 VanDerWaalsContact CB-NH2 3.34Å; E108-R111 WeakPolarHBondContact O-CB 3.32Å; E108-R111 PolarHBondContact O-N 3.31Å; E108-R111 IonicContact OE1-CZ 3.98Å; E108-R111 IonicContact OE1-NH1 3.64Å; E108-R111 IonicContact OE1-NH2 3.14Å; E108-R111 PolarHBondContact OE1-NH2 3.38Å; R111-L113 VanDerWaalsContact C-N 3.31Å; R111-L113 PolarHBondContact O-N 2.86Å; R111-E114 PolarHBondContact O-N 2.99Å; R111-L115 WeakPolarHBondContact O-CB 3.32Å; R111-L115 VanDerWaalsContact O-CG 3.31Å; R111-L115 WeakPolarHBondContact O-CG 3.33Å; R111-L115 PolarHBondContact O-N 3.19Å |
| 112 | D | 97.3 | Very high | 94.7 | Very high | 64 Ų | 64 | 85.5 Ų | 85.5 | 34% | 0.342 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 177.5 | -64.6 | -25.2 | 0 | 0 | 0 | 111 | E108 R109 A116 | E108-D112 PolarHBondContact O-N 2.87Å; R109-D112 IonicContact CZ-OD2 2.74Å; R109-D112 IonicContact NE-OD2 3.15Å; R109-D112 PolarHBondContact NE-OD2 3.39Å; R109-D112 IonicContact NH2-OD2 3.66Å; R109-D112 PolarHBondContact NH2-OD2 3.42Å; R109-D112 PolarHBondContact O-N 2.84Å; D112-A116 WeakPolarHBondContact O-CB 3.39Å; D112-A116 PolarHBondContact O-N 3.45Å |
| 113 | L | 96.9 | Very high | 95.1 | Very high | 117 Ų | 117 | 88 Ų | 88 | 61% | 0.613 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -68.9 | -39.7 | 176.6 | -73.1 | 170.1 | 0 | 0 | 0 | 112.4 | R109 D110 R111 A116 A117 | R109-L113 WeakPolarHBondContact O-CB 3.32Å; R109-L113 VanDerWaalsContact O-CG 3.23Å; R109-L113 WeakPolarHBondContact O-CG 3.35Å; R109-L113 PolarHBondContact O-N 2.98Å; D110-L113 PolarHBondContact O-N 3.14Å; R111-L113 VanDerWaalsContact C-N 3.31Å; R111-L113 PolarHBondContact O-N 2.86Å; L113-A116 PolarHBondContact O-N 2.87Å; L113-A117 VanDerWaalsContact O-CB 3.31Å; L113-A117 WeakPolarHBondContact O-CB 3.27Å; L113-A117 PolarHBondContact O-N 3.3Å |
| 114 | E | 96.3 | Very high | 95.6 | Very high | 100 Ų | 100 | 90.3 Ų | 90.3 | 47% | 0.467 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 174.5 | -162.1 | -165.3 | 150.7 | 0 | 0 | 111.3 | D110 R111 A117 R118 | D110-E114 WeakPolarHBondContact O-CB 3.42Å; D110-E114 PolarHBondContact O-N 3.1Å; R111-E114 PolarHBondContact O-N 2.99Å; E114-A117 PolarHBondContact O-N 2.85Å; E114-R118 WeakPolarHBondContact O-CB 3.32Å; E114-R118 VanDerWaalsContact O-CG 3.28Å; E114-R118 WeakPolarHBondContact O-CG 3.46Å; E114-R118 PolarHBondContact O-N 3.22Å; E114-R118 IonicContact OE1-CZ 2.67Å; E114-R118 IonicContact OE1-NE 3.48Å; E114-R118 PolarHBondContact OE1-NE 2.88Å; E114-R118 IonicContact OE1-NH2 2.77Å; E114-R118 PolarHBondContact OE1-NH2 3.41Å |
| 115 | L | 96.9 | Very high | 95.9 | Very high | 100 Ų | 100 | 90.3 Ų | 90.3 | 52% | 0.524 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 174.6 | -71.9 | 171.1 | 0 | 0 | 0 | 111.5 | R111 A117 R118 I119 | R111-L115 WeakPolarHBondContact O-CB 3.32Å; R111-L115 VanDerWaalsContact O-CG 3.31Å; R111-L115 WeakPolarHBondContact O-CG 3.33Å; R111-L115 PolarHBondContact O-N 3.19Å; L115-A117 VanDerWaalsContact C-N 3.33Å; L115-A117 PolarHBondContact O-N 3.42Å; L115-R118 PolarHBondContact O-N 3.05Å; L115-I119 WeakPolarHBondContact O-CB 3.23Å; L115-I119 VanDerWaalsContact O-CG1 3.26Å; L115-I119 WeakPolarHBondContact O-CG1 3.33Å; L115-I119 PolarHBondContact O-N 3.44Å |
| 116 | A | 97.4 | Very high | 96.2 | Very high | 58 Ų | 58 | 91.7 Ų | 91.7 | 48% | 0.479 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | D112 L113 G120 | D112-A116 WeakPolarHBondContact O-CB 3.39Å; D112-A116 PolarHBondContact O-N 3.45Å; L113-A116 PolarHBondContact O-N 2.87Å; A116-G120 PolarHBondContact O-N 3.29Å |
| 117 | A | 96.6 | Very high | 96.3 | Very high | 63 Ų | 63 | 91.6 Ų | 91.6 | 52% | 0.521 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.3 | -41.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L113 E114 L115 G120 Q121 | L113-A117 VanDerWaalsContact O-CB 3.31Å; L113-A117 WeakPolarHBondContact O-CB 3.27Å; L113-A117 PolarHBondContact O-N 3.3Å; E114-A117 PolarHBondContact O-N 2.85Å; L115-A117 VanDerWaalsContact C-N 3.33Å; L115-A117 PolarHBondContact O-N 3.42Å; A117-G120 PolarHBondContact O-N 3.22Å; A117-Q121 WeakPolarHBondContact O-CB 3.36Å; A117-Q121 PolarHBondContact O-N 3.33Å |
| 118 | R | 96.6 | Very high | 96.6 | Very high | 154 Ų | 154 | 94.7 Ų | 94.7 | 58% | 0.581 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.8 | -43.1 | 174.6 | -74.5 | 170.1 | 176.5 | -117.5 | 9.1 | 112.1 | E114 L115 Q121 S122 | E114-R118 WeakPolarHBondContact O-CB 3.32Å; E114-R118 VanDerWaalsContact O-CG 3.28Å; E114-R118 WeakPolarHBondContact O-CG 3.46Å; E114-R118 PolarHBondContact O-N 3.22Å; E114-R118 IonicContact OE1-CZ 2.67Å; E114-R118 IonicContact OE1-NE 3.48Å; E114-R118 PolarHBondContact OE1-NE 2.88Å; E114-R118 IonicContact OE1-NH2 2.77Å; E114-R118 PolarHBondContact OE1-NH2 3.41Å; L115-R118 PolarHBondContact O-N 3.05Å; R118-Q121 PolarHBondContact O-N 3.45Å; R118-S122 WeakPolarHBondContact O-CB 3.32Å; R118-S122 PolarHBondContact O-N 2.86Å |
| 119 | I | 97 | Very high | 96.8 | Very high | 102 Ų | 102 | 96.8 Ų | 96.8 | 52% | 0.523 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 174.4 | -68.7 | 164.8 | 0 | 0 | 0 | 110 | L115 Q121 S122 L123 | L115-I119 WeakPolarHBondContact O-CB 3.23Å; L115-I119 VanDerWaalsContact O-CG1 3.26Å; L115-I119 WeakPolarHBondContact O-CG1 3.33Å; L115-I119 PolarHBondContact O-N 3.44Å; I119-Q121 VanDerWaalsContact C-N 3.33Å; I119-Q121 PolarHBondContact O-N 2.89Å; I119-S122 PolarHBondContact O-N 3.13Å; I119-L123 HydrophobicContact CG2-CD1 3.93Å; I119-L123 HydrophobicContact CG2-CG 4.39Å; I119-L123 WeakPolarHBondContact O-CB 3.25Å; I119-L123 WeakPolarHBondContact O-CG 3.37Å; I119-L123 PolarHBondContact O-N 2.88Å |
| 120 | G | 97.9 | Very high | 96.9 | Very high | 29 Ų | 29 | 94.1 Ų | 94.1 | 30% | 0.299 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.4 | -42.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A116 A117 L123 L124 | A116-G120 PolarHBondContact O-N 3.29Å; A117-G120 PolarHBondContact O-N 3.22Å; G120-L123 PolarHBondContact O-N 2.89Å; G120-L124 WeakPolarHBondContact O-CB 3.31Å; G120-L124 VanDerWaalsContact O-CG 3.27Å; G120-L124 WeakPolarHBondContact O-CG 3.28Å; G120-L124 PolarHBondContact O-N 2.98Å |
| 121 | Q | 96.6 | Very high | 97 | Very high | 114 Ų | 114 | 93.8 Ų | 93.8 | 53% | 0.533 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 175.6 | -174.7 | 175.7 | 6.5 | 0 | 0 | 112.1 | A117 R118 I119 L124 Q125 | A117-Q121 WeakPolarHBondContact O-CB 3.36Å; A117-Q121 PolarHBondContact O-N 3.33Å; R118-Q121 PolarHBondContact O-N 3.45Å; I119-Q121 VanDerWaalsContact C-N 3.33Å; I119-Q121 PolarHBondContact O-N 2.89Å; Q121-L124 PolarHBondContact O-N 3.42Å; Q121-Q125 WeakPolarHBondContact O-CB 3.32Å; Q121-Q125 VanDerWaalsContact O-CG 3.32Å; Q121-Q125 WeakPolarHBondContact O-CG 3.48Å; Q121-Q125 PolarHBondContact O-N 3.4Å |
| 122 | S | 96.6 | Very high | 97.1 | Very high | 58 Ų | 58 | 93.2 Ų | 93.2 | 41% | 0.406 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 175.8 | -178.3 | 0 | 0 | 0 | 0 | 112 | R118 I119 Q125 R126 | R118-S122 WeakPolarHBondContact O-CB 3.32Å; R118-S122 PolarHBondContact O-N 2.86Å; I119-S122 PolarHBondContact O-N 3.13Å; S122-Q125 PolarHBondContact O-N 3.39Å; S122-R126 WeakPolarHBondContact O-CB 3.46Å; S122-R126 PolarHBondContact O-N 3.47Å |
| 123 | L | 97.5 | Very high | 97.1 | Very high | 94 Ų | 94 | 98.6 Ų | 98.6 | 49% | 0.492 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 173.7 | -70.3 | 172.2 | 0 | 0 | 0 | 112.1 | I119 G120 R126 N127 | I119-L123 HydrophobicContact CG2-CD1 3.93Å; I119-L123 HydrophobicContact CG2-CG 4.39Å; I119-L123 WeakPolarHBondContact O-CB 3.25Å; I119-L123 WeakPolarHBondContact O-CG 3.37Å; I119-L123 PolarHBondContact O-N 2.88Å; G120-L123 PolarHBondContact O-N 2.89Å; L123-R126 PolarHBondContact O-N 3.49Å; L123-N127 WeakPolarHBondContact O-CB 3.4Å; L123-N127 PolarHBondContact O-N 3.02Å; L123-N127 PolarHBondContact O-ND2 3.36Å |
| 124 | L | 97.7 | Very high | 97.1 | Very high | 125 Ų | 125 | 97 Ų | 97 | 65% | 0.654 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.1 | -40.6 | 173.9 | -75.6 | 168.9 | 0 | 0 | 0 | 112.1 | G120 Q121 N127 H128 | G120-L124 WeakPolarHBondContact O-CB 3.31Å; G120-L124 VanDerWaalsContact O-CG 3.27Å; G120-L124 WeakPolarHBondContact O-CG 3.28Å; G120-L124 PolarHBondContact O-N 2.98Å; Q121-L124 PolarHBondContact O-N 3.42Å; L124-N127 PolarHBondContact O-N 3.21Å; L124-H128 WeakPolarHBondContact O-CB 3.48Å; L124-H128 PolarHBondContact O-N 3.15Å |
| 125 | Q | 97.2 | Very high | 97.2 | Very high | 109 Ų | 109 | 96.1 Ų | 96.1 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 173.3 | -75.4 | 170.8 | -26.9 | 0 | 0 | 111.5 | Q121 S122 H128 L129 | Q121-Q125 WeakPolarHBondContact O-CB 3.32Å; Q121-Q125 VanDerWaalsContact O-CG 3.32Å; Q121-Q125 WeakPolarHBondContact O-CG 3.48Å; Q121-Q125 PolarHBondContact O-N 3.4Å; S122-Q125 PolarHBondContact O-N 3.39Å; Q125-H128 PolarHBondContact O-N 2.98Å; Q125-L129 WeakPolarHBondContact O-CG 3.26Å; Q125-L129 PolarHBondContact O-N 3.24Å |
| 126 | R | 96.9 | Very high | 97.2 | Very high | 104 Ų | 104 | 93.5 Ų | 93.5 | 39% | 0.392 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 173.9 | -173 | -173.2 | 177.4 | 99.6 | 3 | 111.5 | S122 L123 H128 L129 L130 Q583 | S122-R126 WeakPolarHBondContact O-CB 3.46Å; S122-R126 PolarHBondContact O-N 3.47Å; L123-R126 PolarHBondContact O-N 3.49Å; R126-H128 VanDerWaalsContact C-N 3.3Å; R126-H128 PolarHBondContact O-N 2.88Å; R126-L129 PolarHBondContact O-N 2.91Å; R126-L130 HydrophobicContact CG-CD1 4.1Å; R126-L130 WeakPolarHBondContact O-CB 3.31Å; R126-L130 VanDerWaalsContact O-CG 3.31Å; R126-L130 WeakPolarHBondContact O-CG 3.36Å; R126-L130 PolarHBondContact O-N 2.87Å; R126-Q583 VanDerWaalsContact NH2-NE2 3.11Å |
| 127 | N | 96.4 | Very high | 97.2 | Very high | 94 Ų | 94 | 94.9 Ų | 94.9 | 50% | 0.503 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.5 | -33.5 | 178.2 | -73.1 | -15.9 | 0 | 0 | 0 | 112 | L123 L124 L130 Q131 | L123-N127 WeakPolarHBondContact O-CB 3.4Å; L123-N127 PolarHBondContact O-N 3.02Å; L123-N127 PolarHBondContact O-ND2 3.36Å; L124-N127 PolarHBondContact O-N 3.21Å; N127-L130 PolarHBondContact O-N 2.89Å; N127-Q131 WeakPolarHBondContact O-CB 3.45Å; N127-Q131 PolarHBondContact O-N 3.49Å |
| 128 | H | 97.6 | Very high | 97.2 | Very high | 115 Ų | 115 | 98 Ų | 98 | 53% | 0.532 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.1 | -45.2 | 173 | -171.6 | -6.9 | 0 | 0 | 0 | 111.8 | L124 Q125 R126 L130 Q131 E132 | L124-H128 WeakPolarHBondContact O-CB 3.48Å; L124-H128 PolarHBondContact O-N 3.15Å; Q125-H128 PolarHBondContact O-N 2.98Å; R126-H128 VanDerWaalsContact C-N 3.3Å; R126-H128 PolarHBondContact O-N 2.88Å; H128-L130 VanDerWaalsContact C-N 3.29Å; H128-L130 PolarHBondContact O-N 3.43Å; H128-Q131 PolarHBondContact O-N 3.32Å; H128-E132 IonicContact CE1-OE1 2.68Å; H128-E132 PolarHBondContact CE1-OE1 2.9Å; H128-E132 IonicContact ND1-OE1 2.68Å; H128-E132 IonicContact NE2-OE1 3.04Å; H128-E132 WeakPolarHBondContact O-CG 3.44Å; H128-E132 PolarHBondContact O-N 3.11Å |
| 129 | L | 97.5 | Very high | 97.3 | Very high | 99 Ų | 99 | 96.4 Ų | 96.4 | 52% | 0.518 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66 | -29.9 | 175 | -68.8 | 169 | 0 | 0 | 0 | 112.8 | Q125 R126 R133 | Q125-L129 WeakPolarHBondContact O-CG 3.26Å; Q125-L129 PolarHBondContact O-N 3.24Å; R126-L129 PolarHBondContact O-N 2.91Å; L129-R133 VanDerWaalsContact O-CG 3.32Å; L129-R133 WeakPolarHBondContact O-CG 3.42Å; L129-R133 PolarHBondContact O-N 2.92Å |
| 130 | L | 97.3 | Very high | 97.3 | Very high | 65 Ų | 65 | 97.7 Ų | 97.7 | 34% | 0.34 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -73.2 | -38.3 | 171.5 | -72.5 | 170.4 | 0 | 0 | 0 | 111.5 | R126 N127 H128 R133 N134 | R126-L130 HydrophobicContact CG-CD1 4.1Å; R126-L130 WeakPolarHBondContact O-CB 3.31Å; R126-L130 VanDerWaalsContact O-CG 3.31Å; R126-L130 WeakPolarHBondContact O-CG 3.36Å; R126-L130 PolarHBondContact O-N 2.87Å; N127-L130 PolarHBondContact O-N 2.89Å; H128-L130 VanDerWaalsContact C-N 3.29Å; H128-L130 PolarHBondContact O-N 3.43Å; L130-R133 PolarHBondContact O-N 3.31Å; L130-N134 VanDerWaalsContact O-CG 3.27Å; L130-N134 PolarHBondContact O-N 3.42Å; L130-N134 PolarHBondContact O-OD1 3.32Å |
| 131 | Q | 97.5 | Very high | 97.2 | Very high | 95 Ų | 95 | 101.5 Ų | 101.5 | 44% | 0.444 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64 | -47 | 173.1 | -169.8 | 64.4 | 50.6 | 0 | 0 | 111 | N127 H128 R133 N134 D135 | N127-Q131 WeakPolarHBondContact O-CB 3.45Å; N127-Q131 PolarHBondContact O-N 3.49Å; H128-Q131 PolarHBondContact O-N 3.32Å; Q131-R133 PolarHBondContact O-N 2.87Å; Q131-N134 CarbonylContact O-C 3.56Å; Q131-N134 PolarHBondContact O-N 3.45Å; Q131-D135 PolarHBondContact NE2-OD1 3.33Å; Q131-D135 WeakPolarHBondContact O-CB 3.44Å; Q131-D135 PolarHBondContact O-N 2.82Å |
| 132 | E | 97.2 | Very high | 97.2 | Very high | 98 Ų | 98 | 98.5 Ų | 98.5 | 46% | 0.458 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.5 | -33.6 | 175.8 | -72 | 176.3 | 162 | 0 | 0 | 112.6 | H128 A136 | H128-E132 IonicContact CE1-OE1 2.68Å; H128-E132 PolarHBondContact CE1-OE1 2.9Å; H128-E132 IonicContact ND1-OE1 2.68Å; H128-E132 IonicContact NE2-OE1 3.04Å; H128-E132 WeakPolarHBondContact O-CG 3.44Å; H128-E132 PolarHBondContact O-N 3.11Å; E132-A136 WeakPolarHBondContact O-CB 3.32Å; E132-A136 PolarHBondContact O-N 2.86Å; E132-A136 VanDerWaalsContact O-N 3.1Å |
| 133 | R | 97.3 | Very high | 97.3 | Very high | 177 Ų | 177 | 100.3 Ų | 100.3 | 67% | 0.668 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -72.9 | -40.6 | 173.2 | -77.4 | 174.3 | 174.6 | 174.7 | -1.9 | 112.7 | L129 L130 Q131 A136 V137 | L129-R133 VanDerWaalsContact O-CG 3.32Å; L129-R133 WeakPolarHBondContact O-CG 3.42Å; L129-R133 PolarHBondContact O-N 2.92Å; L130-R133 PolarHBondContact O-N 3.31Å; Q131-R133 PolarHBondContact O-N 2.87Å; R133-A136 PolarHBondContact O-N 2.9Å; R133-V137 WeakPolarHBondContact O-CG2 3.33Å; R133-V137 PolarHBondContact O-N 3.42Å |
| 134 | N | 97.3 | Very high | 97.2 | Very high | 85 Ų | 85 | 98 Ų | 98 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.2 | -48.4 | 174.1 | -70.6 | -7 | 0 | 0 | 0 | 110.5 | L130 Q131 A136 V137 E138 | L130-N134 VanDerWaalsContact O-CG 3.27Å; L130-N134 PolarHBondContact O-N 3.42Å; L130-N134 PolarHBondContact O-OD1 3.32Å; Q131-N134 CarbonylContact O-C 3.56Å; Q131-N134 PolarHBondContact O-N 3.45Å; N134-A136 VanDerWaalsContact C-N 3.28Å; N134-A136 PolarHBondContact O-N 2.88Å; N134-V137 CarbonylContact O-C 3.51Å; N134-V137 PolarHBondContact O-N 3.31Å; N134-E138 WeakPolarHBondContact O-CB 3.47Å; N134-E138 WeakPolarHBondContact O-CG 3.36Å; N134-E138 PolarHBondContact O-N 2.86Å |
| 135 | D | 97.5 | Very high | 97.2 | Very high | 80 Ų | 80 | 95 Ų | 95 | 43% | 0.428 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -55.6 | -43 | 176.7 | -62.6 | -11.5 | 0 | 0 | 0 | 111 | Q131 E138 E139 | Q131-D135 PolarHBondContact NE2-OD1 3.33Å; Q131-D135 WeakPolarHBondContact O-CB 3.44Å; Q131-D135 PolarHBondContact O-N 2.82Å; D135-E138 PolarHBondContact O-N 3.37Å; D135-E139 PolarHBondContact O-N 3.44Å |
| 136 | A | 97.4 | Very high | 97.2 | Very high | 45 Ų | 45 | 95 Ų | 95 | 37% | 0.372 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.2 | -33.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E132 R133 N134 Q140 | E132-A136 WeakPolarHBondContact O-CB 3.32Å; E132-A136 PolarHBondContact O-N 2.86Å; E132-A136 VanDerWaalsContact O-N 3.1Å; R133-A136 PolarHBondContact O-N 2.9Å; N134-A136 VanDerWaalsContact C-N 3.28Å; N134-A136 PolarHBondContact O-N 2.88Å; A136-Q140 WeakPolarHBondContact O-CG 3.23Å; A136-Q140 PolarHBondContact O-N 2.92Å |
| 137 | V | 97.7 | Very high | 97.3 | Very high | 88 Ų | 88 | 95.9 Ų | 95.9 | 53% | 0.533 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -74.9 | -36.2 | 174.3 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | R133 N134 E139 Q140 L141 | R133-V137 WeakPolarHBondContact O-CG2 3.33Å; R133-V137 PolarHBondContact O-N 3.42Å; N134-V137 CarbonylContact O-C 3.51Å; N134-V137 PolarHBondContact O-N 3.31Å; V137-E139 VanDerWaalsContact C-N 3.34Å; V137-Q140 PolarHBondContact O-N 3.36Å; V137-L141 WeakPolarHBondContact O-CB 3.48Å; V137-L141 PolarHBondContact O-N 2.93Å |
| 138 | E | 97.1 | Very high | 97.3 | Very high | 128 Ų | 128 | 94.8 Ų | 94.8 | 60% | 0.598 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64 | -38.9 | 170.8 | -73.7 | -176.2 | -160.1 | 0 | 0 | 111.1 | N134 D135 L141 A142 | N134-E138 WeakPolarHBondContact O-CB 3.47Å; N134-E138 WeakPolarHBondContact O-CG 3.36Å; N134-E138 PolarHBondContact O-N 2.86Å; D135-E138 PolarHBondContact O-N 3.37Å; E138-L141 PolarHBondContact O-N 3.42Å; E138-A142 WeakPolarHBondContact O-CB 3.37Å; E138-A142 PolarHBondContact O-N 3.37Å |
| 139 | E | 97.4 | Very high | 97.3 | Very high | 121 Ų | 121 | 94.2 Ų | 94.2 | 57% | 0.565 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.8 | -44.1 | 172.5 | -160 | -168.7 | 155 | 0 | 0 | 111.9 | D135 V137 L141 A142 Q143 | D135-E139 PolarHBondContact O-N 3.44Å; V137-E139 VanDerWaalsContact C-N 3.34Å; E139-L141 VanDerWaalsContact C-N 3.32Å; E139-L141 PolarHBondContact O-N 2.87Å; E139-A142 PolarHBondContact O-N 2.9Å; E139-Q143 VanDerWaalsContact O-CG 3.3Å; E139-Q143 WeakPolarHBondContact O-CG 3.41Å; E139-Q143 PolarHBondContact O-N 3.31Å; E139-Q143 PolarHBondContact OE1-NE2 3.49Å |
| 140 | Q | 96.9 | Very high | 97.3 | Very high | 128 Ų | 128 | 94.4 Ų | 94.4 | 60% | 0.598 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.2 | -39.9 | 174.3 | -75.6 | 176.2 | 14.8 | 0 | 0 | 112.2 | A136 V137 Q143 A144 | A136-Q140 WeakPolarHBondContact O-CG 3.23Å; A136-Q140 PolarHBondContact O-N 2.92Å; V137-Q140 PolarHBondContact O-N 3.36Å; Q140-Q143 PolarHBondContact O-N 3.47Å; Q140-A144 WeakPolarHBondContact O-CB 3.34Å; Q140-A144 PolarHBondContact O-N 2.98Å |
| 141 | L | 97.1 | Very high | 97.3 | Very high | 110 Ų | 110 | 96.5 Ų | 96.5 | 58% | 0.576 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.4 | -42.8 | 175.2 | -179.8 | 60.5 | 0 | 0 | 0 | 111.3 | V137 E138 E139 A144 V145 | V137-L141 WeakPolarHBondContact O-CB 3.48Å; V137-L141 PolarHBondContact O-N 2.93Å; E138-L141 PolarHBondContact O-N 3.42Å; E139-L141 VanDerWaalsContact C-N 3.32Å; E139-L141 PolarHBondContact O-N 2.87Å; L141-A144 PolarHBondContact O-N 3.41Å; L141-V145 HydrophobicContact CD1-CG2 4.35Å; L141-V145 WeakPolarHBondContact O-CB 3.27Å; L141-V145 VanDerWaalsContact O-CG2 3.28Å; L141-V145 WeakPolarHBondContact O-CG2 3.27Å; L141-V145 PolarHBondContact O-N 3.16Å |
| 142 | A | 96.9 | Very high | 97.3 | Very high | 51 Ų | 51 | 97.2 Ų | 97.2 | 42% | 0.421 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.5 | -46.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | E138 E139 A144 V145 D146 | E138-A142 WeakPolarHBondContact O-CB 3.37Å; E138-A142 PolarHBondContact O-N 3.37Å; E139-A142 PolarHBondContact O-N 2.9Å; A142-A144 VanDerWaalsContact C-N 3.3Å; A142-A144 PolarHBondContact O-N 2.82Å; A142-V145 PolarHBondContact O-N 3.04Å; A142-D146 PolarHBondContact O-N 3.45Å |
| 143 | Q | 97.6 | Very high | 97.2 | Very high | 96 Ų | 96 | 98.2 Ų | 98.2 | 45% | 0.449 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62 | -34.8 | 176 | -69.3 | 176.4 | 23.5 | 0 | 0 | 112.5 | E139 Q140 Q147 | E139-Q143 VanDerWaalsContact O-CG 3.3Å; E139-Q143 WeakPolarHBondContact O-CG 3.41Å; E139-Q143 PolarHBondContact O-N 3.31Å; E139-Q143 PolarHBondContact OE1-NE2 3.49Å; Q140-Q143 PolarHBondContact O-N 3.47Å; Q143-Q147 WeakPolarHBondContact O-CG 3.25Å; Q143-Q147 PolarHBondContact O-N 3.22Å; Q143-Q147 VanDerWaalsContact O-N 3.16Å; Q143-Q147 PolarHBondContact O-NE2 2.76Å |
| 144 | A | 96.2 | Very high | 97.2 | Very high | 44 Ų | 44 | 93 Ų | 93 | 36% | 0.364 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -72.2 | -40.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q140 L141 A142 Q147 V148 | Q140-A144 WeakPolarHBondContact O-CB 3.34Å; Q140-A144 PolarHBondContact O-N 2.98Å; L141-A144 PolarHBondContact O-N 3.41Å; A142-A144 VanDerWaalsContact C-N 3.3Å; A142-A144 PolarHBondContact O-N 2.82Å; A144-Q147 WeakPolarHBondContact O-CB 3.48Å; A144-Q147 PolarHBondContact O-N 2.9Å; A144-V148 WeakPolarHBondContact O-CG2 3.09Å; A144-V148 PolarHBondContact O-N 2.79Å |
| 145 | V | 97.6 | Very high | 97.2 | Very high | 64 Ų | 64 | 93.7 Ų | 93.7 | 39% | 0.388 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63 | -41.5 | 175.1 | 164.9 | 0 | 0 | 0 | 0 | 111.3 | L141 A142 V148 H149 | L141-V145 HydrophobicContact CD1-CG2 4.35Å; L141-V145 WeakPolarHBondContact O-CB 3.27Å; L141-V145 VanDerWaalsContact O-CG2 3.28Å; L141-V145 WeakPolarHBondContact O-CG2 3.27Å; L141-V145 PolarHBondContact O-N 3.16Å; A142-V145 PolarHBondContact O-N 3.04Å; V145-V148 WeakPolarHBondContact O-CB 3.36Å; V145-V148 PolarHBondContact O-N 3.23Å; V145-H149 WeakPolarHBondContact CG1-CE1 3.47Å; V145-H149 PolarHBondContact O-N 3.3Å; V145-H149 PolarHBondContact O-ND1 3.32Å |
| 146 | D | 97.6 | Very high | 97.1 | Very high | 108 Ų | 108 | 94.4 Ų | 94.4 | 58% | 0.578 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.3 | -35.7 | 175.1 | -79.9 | -13.5 | 0 | 0 | 0 | 112.7 | A142 H149 Q150 | A142-D146 PolarHBondContact O-N 3.45Å; D146-H149 PolarHBondContact O-N 2.86Å; D146-H149 IonicContact OD1-ND1 3.95Å; D146-Q150 WeakPolarHBondContact O-CB 3.46Å; D146-Q150 PolarHBondContact O-N 3.15Å |
| 147 | Q | 97.7 | Very high | 97.1 | Very high | 122 Ų | 122 | 98.2 Ų | 98.2 | 57% | 0.57 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.9 | -40.8 | 169.7 | -77 | 168.4 | 80.5 | 0 | 0 | 111.9 | Q143 A144 Q150 L151 | Q143-Q147 WeakPolarHBondContact O-CG 3.25Å; Q143-Q147 PolarHBondContact O-N 3.22Å; Q143-Q147 VanDerWaalsContact O-N 3.16Å; Q143-Q147 PolarHBondContact O-NE2 2.76Å; A144-Q147 WeakPolarHBondContact O-CB 3.48Å; A144-Q147 PolarHBondContact O-N 2.9Å; Q147-Q150 PolarHBondContact O-N 2.73Å; Q147-L151 WeakPolarHBondContact O-CB 3.31Å; Q147-L151 VanDerWaalsContact O-CG 3.31Å; Q147-L151 WeakPolarHBondContact O-CG 3.49Å; Q147-L151 PolarHBondContact O-N 3.17Å |
| 148 | V | 97.5 | Very high | 97 | Very high | 72 Ų | 72 | 99 Ų | 99 | 44% | 0.436 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 174.3 | 168.3 | 0 | 0 | 0 | 0 | 110.9 | A144 V145 Q150 L151 Q152 | A144-V148 WeakPolarHBondContact O-CG2 3.09Å; A144-V148 PolarHBondContact O-N 2.79Å; V145-V148 WeakPolarHBondContact O-CB 3.36Å; V145-V148 PolarHBondContact O-N 3.23Å; V148-Q150 PolarHBondContact O-N 3.29Å; V148-L151 PolarHBondContact O-N 3.02Å; V148-Q152 HydrophobicContact CG1-CG 4.31Å; V148-Q152 WeakPolarHBondContact O-CB 3.47Å; V148-Q152 WeakPolarHBondContact O-CG 3.36Å; V148-Q152 PolarHBondContact O-N 2.79Å |
| 149 | H | 97.6 | Very high | 96.9 | Very high | 102 Ų | 102 | 96.3 Ų | 96.3 | 47% | 0.472 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 175.4 | -67.6 | 138.3 | 0 | 0 | 0 | 112.7 | V145 D146 Q152 H153 | V145-H149 WeakPolarHBondContact CG1-CE1 3.47Å; V145-H149 PolarHBondContact O-N 3.3Å; V145-H149 PolarHBondContact O-ND1 3.32Å; D146-H149 PolarHBondContact O-N 2.86Å; D146-H149 IonicContact OD1-ND1 3.95Å; H149-Q152 PolarHBondContact O-N 3.28Å; H149-H153 WeakPolarHBondContact O-CB 3.33Å; H149-H153 PolarHBondContact O-N 3.02Å |
| 150 | Q | 97.5 | Very high | 96.8 | Very high | 103 Ų | 103 | 94.3 Ų | 94.3 | 48% | 0.481 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.2 | -47.5 | 175.6 | 173.4 | 60.1 | 25.3 | 0 | 0 | 111.5 | D146 Q147 V148 H153 E154 | D146-Q150 WeakPolarHBondContact O-CB 3.46Å; D146-Q150 PolarHBondContact O-N 3.15Å; Q147-Q150 PolarHBondContact O-N 2.73Å; V148-Q150 PolarHBondContact O-N 3.29Å; Q150-H153 PolarHBondContact O-N 3.43Å; Q150-E154 PolarHBondContact NE2-OE1 2.77Å; Q150-E154 PolarHBondContact O-N 2.92Å |
| 151 | L | 96.9 | Very high | 96.6 | Very high | 110 Ų | 110 | 92.9 Ų | 92.9 | 58% | 0.576 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.2 | -37 | 178.4 | -71 | 174 | 0 | 0 | 0 | 112.2 | Q147 V148 E154 L155 | Q147-L151 WeakPolarHBondContact O-CB 3.31Å; Q147-L151 VanDerWaalsContact O-CG 3.31Å; Q147-L151 WeakPolarHBondContact O-CG 3.49Å; Q147-L151 PolarHBondContact O-N 3.17Å; V148-L151 PolarHBondContact O-N 3.02Å; L151-E154 PolarHBondContact O-N 2.74Å; L151-L155 VanDerWaalsContact O-CB 3.25Å; L151-L155 WeakPolarHBondContact O-CB 3.22Å; L151-L155 PolarHBondContact O-N 3.38Å |
| 152 | Q | 96.6 | Very high | 96.2 | Very high | 110 Ų | 110 | 92.9 Ų | 92.9 | 51% | 0.514 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 172.2 | -76.4 | 173.2 | 0.6 | 0 | 0 | 111.9 | V148 H149 L155 N156 | V148-Q152 HydrophobicContact CG1-CG 4.31Å; V148-Q152 WeakPolarHBondContact O-CB 3.47Å; V148-Q152 WeakPolarHBondContact O-CG 3.36Å; V148-Q152 PolarHBondContact O-N 2.79Å; H149-Q152 PolarHBondContact O-N 3.28Å; Q152-L155 PolarHBondContact O-N 2.88Å; Q152-N156 VanDerWaalsContact O-CB 3.32Å; Q152-N156 WeakPolarHBondContact O-CB 3.49Å; Q152-N156 PolarHBondContact O-N 3.42Å |
| 153 | H | 96.6 | Very high | 96 | Very high | 118 Ų | 118 | 96.8 Ų | 96.8 | 55% | 0.546 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 175.9 | -179.7 | 72 | 0 | 0 | 0 | 111.6 | H149 Q150 K157 | H149-H153 WeakPolarHBondContact O-CB 3.33Å; H149-H153 PolarHBondContact O-N 3.02Å; Q150-H153 PolarHBondContact O-N 3.43Å; H153-K157 VanDerWaalsContact O-CB 3.31Å; H153-K157 WeakPolarHBondContact O-CB 3.41Å; H153-K157 PolarHBondContact O-N 3.28Å |
| 154 | E | 96.8 | Very high | 95.6 | Very high | 69 Ų | 69 | 96.7 Ų | 96.7 | 32% | 0.322 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 175 | -84.3 | -168.8 | -139.9 | 0 | 0 | 113.4 | Q150 L151 K157 K158 | Q150-E154 PolarHBondContact NE2-OE1 2.77Å; Q150-E154 PolarHBondContact O-N 2.92Å; L151-E154 PolarHBondContact O-N 2.74Å; E154-K157 PolarHBondContact O-N 2.81Å; E154-K158 WeakPolarHBondContact O-CB 3.23Å; E154-K158 VanDerWaalsContact O-CD 3.31Å; E154-K158 WeakPolarHBondContact O-CD 3.44Å; E154-K158 WeakPolarHBondContact O-CG 3.41Å; E154-K158 PolarHBondContact O-N 3.47Å; E154-K158 IonicContact OE2-NZ 3.29Å; E154-K158 PolarHBondContact OE2-NZ 3.27Å |
| 155 | L | 96.4 | Very high | 95 | Very high | 99 Ų | 99 | 99.1 Ų | 99.1 | 52% | 0.518 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.4 | -52.2 | 176.4 | -180 | 59.3 | 0 | 0 | 0 | 110 | L151 Q152 K157 K158 D159 | L151-L155 VanDerWaalsContact O-CB 3.25Å; L151-L155 WeakPolarHBondContact O-CB 3.22Å; L151-L155 PolarHBondContact O-N 3.38Å; Q152-L155 PolarHBondContact O-N 2.88Å; L155-K157 PolarHBondContact O-N 3.38Å; L155-K158 CarbonylContact O-C 3.59Å; L155-K158 WeakPolarHBondContact O-CA 3.31Å; L155-K158 WeakPolarHBondContact O-CB 3.33Å; L155-K158 PolarHBondContact O-N 2.8Å; L155-D159 VanDerWaalsContact O-CG 3.28Å; L155-D159 PolarHBondContact O-N 2.8Å |
| 156 | N | 96.8 | Very high | 94.4 | Very high | 95 Ų | 95 | 98.5 Ų | 98.5 | 51% | 0.508 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -56.8 | -35.4 | 175.7 | 179.7 | 86.5 | 0 | 0 | 0 | 112.4 | Q152 E160 | Q152-N156 VanDerWaalsContact O-CB 3.32Å; Q152-N156 WeakPolarHBondContact O-CB 3.49Å; Q152-N156 PolarHBondContact O-N 3.42Å; N156-E160 WeakPolarHBondContact O-CB 3.46Å; N156-E160 PolarHBondContact O-N 3.3Å |
| 157 | K | 96.4 | Very high | 93.6 | Very high | 125 Ų | 125 | 96.3 Ų | 96.3 | 54% | 0.543 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.4 | -37.3 | 173.6 | -175.8 | 178.6 | 178.1 | -177.9 | 0 | 112.8 | H153 E154 L155 L161 | H153-K157 VanDerWaalsContact O-CB 3.31Å; H153-K157 WeakPolarHBondContact O-CB 3.41Å; H153-K157 PolarHBondContact O-N 3.28Å; E154-K157 PolarHBondContact O-N 2.81Å; L155-K157 PolarHBondContact O-N 3.38Å; K157-L161 VanDerWaalsContact O-CG 3.31Å; K157-L161 WeakPolarHBondContact O-CG 3.44Å; K157-L161 PolarHBondContact O-N 3.42Å; K157-L161 VanDerWaalsContact O-N 3.09Å |
| 158 | K | 95.2 | Very high | 92.6 | Very high | 103 Ų | 103 | 93.1 Ų | 93.1 | 45% | 0.448 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.7 | -40.3 | 172.9 | -70.1 | 156.3 | -166.1 | 164.3 | 0 | 110.2 | E154 L155 L161 L162 | E154-K158 WeakPolarHBondContact O-CB 3.23Å; E154-K158 VanDerWaalsContact O-CD 3.31Å; E154-K158 WeakPolarHBondContact O-CD 3.44Å; E154-K158 WeakPolarHBondContact O-CG 3.41Å; E154-K158 PolarHBondContact O-N 3.47Å; E154-K158 IonicContact OE2-NZ 3.29Å; E154-K158 PolarHBondContact OE2-NZ 3.27Å; L155-K158 CarbonylContact O-C 3.59Å; L155-K158 WeakPolarHBondContact O-CA 3.31Å; L155-K158 WeakPolarHBondContact O-CB 3.33Å; L155-K158 PolarHBondContact O-N 2.8Å; K158-L161 PolarHBondContact O-N 2.86Å; K158-L162 WeakPolarHBondContact O-CB 3.42Å; K158-L162 VanDerWaalsContact O-CG 3.27Å; K158-L162 WeakPolarHBondContact O-CG 3.28Å; K158-L162 PolarHBondContact O-N 2.9Å |
| 159 | D | 95.4 | Very high | 91.6 | Very high | 73 Ų | 73 | 93.3 Ų | 93.3 | 39% | 0.39 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.1 | -38.4 | 175.7 | -64.1 | -29.5 | 0 | 0 | 0 | 112.5 | L155 L162 R163 | L155-D159 VanDerWaalsContact O-CG 3.28Å; L155-D159 PolarHBondContact O-N 2.8Å; D159-L162 PolarHBondContact O-N 3.22Å; D159-R163 VanDerWaalsContact O-CB 3.31Å; D159-R163 WeakPolarHBondContact O-CB 3.27Å; D159-R163 PolarHBondContact O-N 3.44Å |
| 160 | E | 95.2 | Very high | 89.9 | Confident | 78 Ų | 78 | 95.2 Ų | 95.2 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.7 | -45 | 172.5 | -164.1 | 67.1 | -141.2 | 0 | 0 | 111.1 | N156 R163 I164 | N156-E160 WeakPolarHBondContact O-CB 3.46Å; N156-E160 PolarHBondContact O-N 3.3Å; E160-R163 PolarHBondContact O-N 2.82Å; E160-R163 IonicContact OE1-CZ 3.21Å; E160-R163 IonicContact OE1-NH1 2.77Å; E160-R163 PolarHBondContact OE1-NH1 3.31Å; E160-R163 IonicContact OE1-NH2 2.94Å; E160-R163 IonicContact OE2-CZ 3.78Å; E160-R163 IonicContact OE2-NH1 3.8Å; E160-R163 PolarHBondContact OE2-NH1 2.89Å; E160-R163 IonicContact OE2-NH2 3.01Å; E160-R163 PolarHBondContact OE2-NH2 3.48Å; E160-I164 HydrophobicContact CG-CD1 4.47Å; E160-I164 VanDerWaalsContact O-CG1 3.3Å; E160-I164 WeakPolarHBondContact O-CG1 3.35Å; E160-I164 PolarHBondContact O-N 3.34Å |
| 161 | L | 92.6 | Very high | 87.9 | Confident | 98 Ų | 98 | 97.9 Ų | 97.9 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 175.5 | -71.8 | 169.2 | 0 | 0 | 0 | 112.2 | K157 K158 R163 I164 V165 | K157-L161 VanDerWaalsContact O-CG 3.31Å; K157-L161 WeakPolarHBondContact O-CG 3.44Å; K157-L161 PolarHBondContact O-N 3.42Å; K157-L161 VanDerWaalsContact O-N 3.09Å; K158-L161 PolarHBondContact O-N 2.86Å; L161-R163 VanDerWaalsContact C-N 3.34Å; L161-I164 PolarHBondContact O-N 2.87Å; L161-V165 WeakPolarHBondContact O-CB 3.46Å; L161-V165 WeakPolarHBondContact O-CG2 3.47Å; L161-V165 PolarHBondContact O-N 2.94Å |
| 162 | L | 90.1 | Very high | 85.9 | Confident | 111 Ų | 111 | 95.5 Ų | 95.5 | 58% | 0.581 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65 | -36.8 | 174.9 | -75.2 | 170.3 | 0 | 0 | 0 | 111.6 | K158 D159 V165 A166 | K158-L162 WeakPolarHBondContact O-CB 3.42Å; K158-L162 VanDerWaalsContact O-CG 3.27Å; K158-L162 WeakPolarHBondContact O-CG 3.28Å; K158-L162 PolarHBondContact O-N 2.9Å; D159-L162 PolarHBondContact O-N 3.22Å; L162-V165 PolarHBondContact O-N 3.47Å; L162-A166 VanDerWaalsContact O-CB 3.28Å; L162-A166 WeakPolarHBondContact O-CB 3.34Å; L162-A166 PolarHBondContact O-N 2.69Å |
| 163 | R | 91.9 | Very high | 83.6 | Confident | 132 Ų | 132 | 98.5 Ų | 98.5 | 50% | 0.498 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.4 | -42.6 | 174.3 | -158.6 | -170.8 | -44.9 | 127.2 | 16.5 | 111.5 | D159 E160 L161 A166 S167 | D159-R163 VanDerWaalsContact O-CB 3.31Å; D159-R163 WeakPolarHBondContact O-CB 3.27Å; D159-R163 PolarHBondContact O-N 3.44Å; E160-R163 PolarHBondContact O-N 2.82Å; E160-R163 IonicContact OE1-CZ 3.21Å; E160-R163 IonicContact OE1-NH1 2.77Å; E160-R163 PolarHBondContact OE1-NH1 3.31Å; E160-R163 IonicContact OE1-NH2 2.94Å; E160-R163 IonicContact OE2-CZ 3.78Å; E160-R163 IonicContact OE2-NH1 3.8Å; E160-R163 PolarHBondContact OE2-NH1 2.89Å; E160-R163 IonicContact OE2-NH2 3.01Å; E160-R163 PolarHBondContact OE2-NH2 3.48Å; L161-R163 VanDerWaalsContact C-N 3.34Å; R163-A166 PolarHBondContact O-N 2.91Å; R163-S167 PolarHBondContact O-N 3.49Å; R163-S167 PolarHBondContact O-OG 3.21Å; R163-S167 VanDerWaalsContact O-OG 3.14Å |
| 164 | I | 88.7 | Confident | 81.2 | Confident | 94 Ų | 94 | 100.4 Ų | 100.4 | 48% | 0.482 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.2 | -48.2 | 174 | -68.8 | 163.3 | 0 | 0 | 0 | 110.4 | E160 L161 A166 S167 A168 | E160-I164 HydrophobicContact CG-CD1 4.47Å; E160-I164 VanDerWaalsContact O-CG1 3.3Å; E160-I164 WeakPolarHBondContact O-CG1 3.35Å; E160-I164 PolarHBondContact O-N 3.34Å; L161-I164 PolarHBondContact O-N 2.87Å; I164-A166 PolarHBondContact O-N 2.85Å; I164-S167 WeakPolarHBondContact CA-OG 3.31Å; I164-S167 PolarHBondContact O-N 3.15Å; I164-S167 PolarHBondContact O-OG 2.96Å; I164-A168 WeakPolarHBondContact O-CB 3.45Å; I164-A168 PolarHBondContact O-N 3.44Å |
| 165 | V | 84.4 | Confident | 78.3 | Confident | 96 Ų | 96 | 103.9 Ų | 103.9 | 58% | 0.582 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.7 | -39.9 | 177.6 | 169.4 | 0 | 0 | 0 | 0 | 111.8 | L161 L162 A168 S169 | L161-V165 WeakPolarHBondContact O-CB 3.46Å; L161-V165 WeakPolarHBondContact O-CG2 3.47Å; L161-V165 PolarHBondContact O-N 2.94Å; L162-V165 PolarHBondContact O-N 3.47Å; V165-A168 PolarHBondContact O-N 3.48Å; V165-S169 WeakPolarHBondContact O-CB 3.32Å; V165-S169 PolarHBondContact O-N 2.88Å |
| 166 | A | 85 | Confident | 76.3 | Confident | 51 Ų | 51 | 104.7 Ų | 104.7 | 42% | 0.421 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.6 | -48.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L162 R163 I164 A168 S169 E170 | L162-A166 VanDerWaalsContact O-CB 3.28Å; L162-A166 WeakPolarHBondContact O-CB 3.34Å; L162-A166 PolarHBondContact O-N 2.69Å; R163-A166 PolarHBondContact O-N 2.91Å; I164-A166 PolarHBondContact O-N 2.85Å; A166-A168 VanDerWaalsContact C-N 3.33Å; A166-A168 PolarHBondContact O-N 2.97Å; A166-S169 CarbonylContact O-C 3.54Å; A166-S169 WeakPolarHBondContact O-CA 3.36Å; A166-S169 WeakPolarHBondContact O-CB 3.35Å; A166-S169 PolarHBondContact O-N 2.84Å; A166-E170 PolarHBondContact O-N 2.89Å |
| 167 | S | 81.3 | Confident | 74 | Confident | 61 Ų | 61 | 106.3 Ų | 106.3 | 43% | 0.427 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.3 | -37 | 176.9 | 57 | 0 | 0 | 0 | 0 | 113.3 | R163 I164 S169 E170 E171 | R163-S167 PolarHBondContact O-N 3.49Å; R163-S167 PolarHBondContact O-OG 3.21Å; R163-S167 VanDerWaalsContact O-OG 3.14Å; I164-S167 WeakPolarHBondContact CA-OG 3.31Å; I164-S167 PolarHBondContact O-N 3.15Å; I164-S167 PolarHBondContact O-OG 2.96Å; S167-S169 VanDerWaalsContact C-N 3.31Å; S167-S169 PolarHBondContact O-N 3.27Å; S167-E170 PolarHBondContact O-N 3.16Å; S167-E171 PolarHBondContact O-N 2.99Å |
| 168 | A | 76.3 | Confident | 71.3 | Confident | 56 Ų | 56 | 106.4 Ų | 106.4 | 46% | 0.463 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -70.6 | -27.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I164 V165 A166 G172 | I164-A168 WeakPolarHBondContact O-CB 3.45Å; I164-A168 PolarHBondContact O-N 3.44Å; V165-A168 PolarHBondContact O-N 3.48Å; A166-A168 VanDerWaalsContact C-N 3.33Å; A166-A168 PolarHBondContact O-N 2.97Å; A168-G172 PolarHBondContact O-N 3.35Å; A168-G172 VanDerWaalsContact O-N 3.08Å |
| 169 | S | 75.5 | Confident | 68.9 | Low | 76 Ų | 76 | 106.8 Ų | 106.8 | 53% | 0.531 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -75.3 | -34.1 | 171.6 | -165.2 | 0 | 0 | 0 | 0 | 112.2 | V165 A166 S167 G172 E173 | V165-S169 WeakPolarHBondContact O-CB 3.32Å; V165-S169 PolarHBondContact O-N 2.88Å; A166-S169 CarbonylContact O-C 3.54Å; A166-S169 WeakPolarHBondContact O-CA 3.36Å; A166-S169 WeakPolarHBondContact O-CB 3.35Å; A166-S169 PolarHBondContact O-N 2.84Å; S167-S169 VanDerWaalsContact C-N 3.31Å; S167-S169 PolarHBondContact O-N 3.27Å; S169-G172 WeakPolarHBondContact O-CA 3.36Å; S169-G172 PolarHBondContact O-N 3.03Å; S169-E173 PolarHBondContact O-N 3.2Å |
| 170 | E | 62.5 | Low | 66.7 | Low | 142 Ų | 142 | 109.8 Ų | 109.8 | 66% | 0.664 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -73.9 | -35.7 | 174.6 | -71.5 | -174.2 | 159.3 | 0 | 0 | 112.5 | A166 S167 G172 | A166-E170 PolarHBondContact O-N 2.89Å; S167-E170 PolarHBondContact O-N 3.16Å; E170-G172 PolarHBondContact O-N 2.68Å |
| 171 | E | 56.1 | Low | 64.5 | Low | 158 Ų | 158 | 112 Ų | 112 | 74% | 0.738 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -63.4 | -31.7 | 164.5 | -78.9 | -169.7 | 138.8 | 0 | 0 | 111.4 | S167 E173 Q174 | S167-E171 PolarHBondContact O-N 2.99Å; E171-E173 PolarHBondContact O-N 2.93Å; E171-Q174 PolarHBondContact O-N 3.27Å |
| 172 | G | 54.1 | Low | 62.3 | Low | 61 Ų | 61 | 115.6 Ų | 115.6 | 63% | 0.629 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -69.9 | -21.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | A168 S169 E170 | A168-G172 PolarHBondContact O-N 3.35Å; A168-G172 VanDerWaalsContact O-N 3.08Å; S169-G172 WeakPolarHBondContact O-CA 3.36Å; S169-G172 PolarHBondContact O-N 3.03Å; E170-G172 PolarHBondContact O-N 2.68Å |
| 173 | E | 49.4 | Very low | 60.1 | Low | 172 Ų | 172 | 118.4 Ų | 118.4 | 80% | 0.804 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -7.6 | 174 | -71.1 | -151.2 | 136.1 | 0 | 0 | 113.6 | S169 E171 D175 | S169-E173 PolarHBondContact O-N 3.2Å; E171-E173 PolarHBondContact O-N 2.93Å; E173-D175 PolarHBondContact O-N 2.79Å |
| 174 | Q | 46.2 | Very low | 57.5 | Low | 158 Ų | 158 | 120 Ų | 120 | 74% | 0.738 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -92.3 | 33.4 | -176.3 | -69.2 | -170 | 50.2 | 0 | 0 | 115.4 | E171 | E171-Q174 PolarHBondContact O-N 3.27Š|
| 175 | D | 35.8 | Very low | 56 | Low | 142 Ų | 142 | 121 Ų | 121 | 76% | 0.759 | 70% | 0.696 | S | S | * | * | trans | -165.6 | 111 | 151 | -113.9 | -22.8 | 0 | 0 | 0 | 113.9 | E173 T177 | E173-D175 PolarHBondContact O-N 2.79Å; D175-T177 PolarHBondContact O-N 3.28Å | ||
| 176 | P | 53.4 | Low | 54.5 | Low | 116 Ų | 116 | 124.1 Ų | 124.1 | 75% | 0.753 | 71% | 0.705 | S | S | * | * | trans | -88.3 | 77.1 | -179.9 | 34.3 | -34.6 | 0 | 0 | 0 | 113 | ||||
| 177 | T | 47.7 | Very low | 53.2 | Low | 130 Ų | 130 | 125.2 Ų | 125.2 | 80% | 0.798 | 71% | 0.713 | S | S | * | * | trans | -168.7 | 166.8 | 153.8 | 8.4 | 0 | 0 | 0 | 0 | 114.6 | D175 | D175-T177 PolarHBondContact O-N 3.28Š| ||
| 178 | V | 40 | Very low | 52.3 | Low | 126 Ų | 126 | 125.1 Ų | 125.1 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | trans | 89 | 77.8 | 168.5 | -163.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 179 | S | 46.2 | Very low | 51.7 | Low | 111 Ų | 111 | 124.8 Ų | 124.8 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | 56.8 | 119.3 | 119.2 | -52.5 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 180 | T | 48.2 | Very low | 51.6 | Low | 136 Ų | 136 | 126.2 Ų | 126.2 | 83% | 0.834 | 72% | 0.719 | S | S | * | * | trans | -63.2 | 145.5 | 155.6 | -17.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 181 | P | 49.1 | Very low | 52.2 | Low | 125 Ų | 125 | 122 Ų | 122 | 81% | 0.812 | 71% | 0.708 | S | S | * | * | trans | -89.7 | 154.6 | 161.7 | 34.6 | -32.5 | 0 | 0 | 0 | 112.6 | ||||
| 182 | Q | 46.9 | Very low | 53.2 | Low | 173 Ų | 173 | 116.8 Ų | 116.8 | 81% | 0.808 | 69% | 0.692 | S | S | * | * | trans | -138.2 | 138.9 | -171 | 178.6 | -162.8 | -35.4 | 0 | 0 | 111.2 | ||||
| 183 | Q | 43.1 | Very low | 54.6 | Low | 170 Ų | 170 | 119.3 Ų | 119.3 | 79% | 0.794 | 69% | 0.691 | S | S | * | * | trans | 145.2 | 114.6 | 139.1 | -80.4 | 179.9 | 24.4 | 0 | 0 | 114.7 | ||||
| 184 | Q | 37.5 | Very low | 56.5 | Low | 165 Ų | 165 | 112.4 Ų | 112.4 | 77% | 0.771 | 67% | 0.665 | S | S | * | * | trans | -172.4 | 117.7 | 130.2 | -108.5 | -174.9 | 12.1 | 0 | 0 | 111.1 | ||||
| 185 | P | 57.8 | Low | 58.5 | Low | 116 Ų | 116 | 110.5 Ų | 110.5 | 75% | 0.753 | 66% | 0.657 | S | S | * | * | trans | -97.2 | -12.1 | -162.1 | -8.4 | 28.8 | 0 | 0 | 0 | 118.8 | ||||
| 186 | Q | 53.3 | Low | 61 | Low | 162 Ų | 162 | 108.2 Ų | 108.2 | 76% | 0.757 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -114.4 | -49.5 | -168.1 | -73.9 | -175.5 | -16.6 | 0 | 0 | 115.1 | A188 A189 V190 | Q186-A188 VanDerWaalsContact C-N 3.3Å; Q186-A188 PolarHBondContact O-N 3.26Å; Q186-A189 PolarHBondContact O-N 3.22Å; Q186-A189 VanDerWaalsContact O-N 3.15Å; Q186-V190 PolarHBondContact O-N 3.45Å |
| 187 | A | 56.8 | Low | 63 | Low | 73 Ų | 73 | 108.5 Ų | 108.5 | 60% | 0.603 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -61.6 | -40.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A189 V190 A191 | A187-A189 VanDerWaalsContact C-N 3.31Å; A187-A189 PolarHBondContact O-N 3.2Å; A187-V190 PolarHBondContact O-N 3.27Å; A187-A191 WeakPolarHBondContact O-CB 3.29Å; A187-A191 PolarHBondContact O-N 2.72Å |
| 188 | A | 61.7 | Low | 65.2 | Low | 60 Ų | 60 | 108.8 Ų | 108.8 | 50% | 0.496 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -63.2 | -33.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q186 A192 | Q186-A188 VanDerWaalsContact C-N 3.3Å; Q186-A188 PolarHBondContact O-N 3.26Å; A188-A192 VanDerWaalsContact O-CB 3.25Å; A188-A192 WeakPolarHBondContact O-CB 3.34Å; A188-A192 PolarHBondContact O-N 2.98Å |
| 189 | A | 65.3 | Low | 67.8 | Low | 48 Ų | 48 | 108.5 Ų | 108.5 | 40% | 0.397 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -71.3 | -39.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q186 A187 A192 L193 | Q186-A189 PolarHBondContact O-N 3.22Å; Q186-A189 VanDerWaalsContact O-N 3.15Å; A187-A189 VanDerWaalsContact C-N 3.31Å; A187-A189 PolarHBondContact O-N 3.2Å; A189-A192 PolarHBondContact O-N 2.88Å; A189-L193 WeakPolarHBondContact O-CG 3.28Å; A189-L193 PolarHBondContact O-N 2.86Å |
| 190 | V | 72.6 | Confident | 70.2 | Confident | 106 Ų | 106 | 109 Ų | 109 | 64% | 0.642 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67.9 | -40.3 | 174.2 | 179 | 0 | 0 | 0 | 0 | 110.9 | Q186 A187 L193 G194 | Q186-V190 PolarHBondContact O-N 3.45Å; A187-V190 PolarHBondContact O-N 3.27Å; V190-L193 PolarHBondContact O-N 2.95Å; V190-G194 PolarHBondContact O-N 3.47Å |
| 191 | A | 75.9 | Confident | 72.4 | Confident | 53 Ų | 53 | 106.3 Ų | 106.3 | 44% | 0.438 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.2 | -43.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A187 L193 G194 Q195 | A187-A191 WeakPolarHBondContact O-CB 3.29Å; A187-A191 PolarHBondContact O-N 2.72Å; A191-L193 PolarHBondContact O-N 3.16Å; A191-G194 PolarHBondContact O-N 3.27Å; A191-Q195 WeakPolarHBondContact O-CB 3.5Å; A191-Q195 WeakPolarHBondContact O-CG 3.23Å; A191-Q195 PolarHBondContact O-N 2.96Å |
| 192 | A | 76.4 | Confident | 74.7 | Confident | 50 Ų | 50 | 104.7 Ų | 104.7 | 41% | 0.413 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.6 | -35.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A188 A189 Q195 L196 | A188-A192 VanDerWaalsContact O-CB 3.25Å; A188-A192 WeakPolarHBondContact O-CB 3.34Å; A188-A192 PolarHBondContact O-N 2.98Å; A189-A192 PolarHBondContact O-N 2.88Å; A192-Q195 PolarHBondContact O-N 3.17Å; A192-L196 WeakPolarHBondContact O-CB 3.45Å; A192-L196 PolarHBondContact O-N 2.74Å |
| 193 | L | 84.1 | Confident | 77.1 | Confident | 114 Ų | 114 | 101 Ų | 101 | 60% | 0.597 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.9 | -43.8 | 172.8 | -75 | 169.6 | 0 | 0 | 0 | 111.8 | A189 V190 A191 Q195 L196 E197 | A189-L193 WeakPolarHBondContact O-CG 3.28Å; A189-L193 PolarHBondContact O-N 2.86Å; V190-L193 PolarHBondContact O-N 2.95Å; A191-L193 PolarHBondContact O-N 3.16Å; L193-Q195 VanDerWaalsContact C-N 3.33Å; L193-Q195 PolarHBondContact O-N 2.87Å; L193-L196 PolarHBondContact O-N 2.97Å; L193-E197 WeakPolarHBondContact O-CB 3.18Å; L193-E197 PolarHBondContact O-N 2.84Å |
| 194 | G | 88.2 | Confident | 79.7 | Confident | 26 Ų | 26 | 98.4 Ų | 98.4 | 27% | 0.268 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.6 | -35.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V190 A191 Q198 | V190-G194 PolarHBondContact O-N 3.47Å; A191-G194 PolarHBondContact O-N 3.27Å; G194-Q198 WeakPolarHBondContact O-CB 3.28Å; G194-Q198 VanDerWaalsContact O-CG 3.23Å; G194-Q198 WeakPolarHBondContact O-CG 3.38Å; G194-Q198 PolarHBondContact O-N 2.91Å |
| 195 | Q | 88.1 | Confident | 82.6 | Confident | 119 Ų | 119 | 95.8 Ų | 95.8 | 56% | 0.556 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.7 | -38.3 | 171.8 | -75.1 | 173.7 | -23.9 | 0 | 0 | 112.1 | A191 A192 L193 Q198 L199 | A191-Q195 WeakPolarHBondContact O-CB 3.5Å; A191-Q195 WeakPolarHBondContact O-CG 3.23Å; A191-Q195 PolarHBondContact O-N 2.96Å; A192-Q195 PolarHBondContact O-N 3.17Å; L193-Q195 VanDerWaalsContact C-N 3.33Å; L193-Q195 PolarHBondContact O-N 2.87Å; Q195-Q198 PolarHBondContact O-N 3.41Å; Q195-L199 WeakPolarHBondContact O-CB 3.14Å; Q195-L199 VanDerWaalsContact O-CG 3.27Å; Q195-L199 WeakPolarHBondContact O-CG 3.42Å; Q195-L199 PolarHBondContact O-N 2.83Å |
| 196 | L | 89.8 | Confident | 84.5 | Confident | 93 Ų | 93 | 94.7 Ų | 94.7 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.1 | -42.8 | 175.1 | -176.2 | 64.9 | 0 | 0 | 0 | 111.5 | A192 L193 L199 Q200 | A192-L196 WeakPolarHBondContact O-CB 3.45Å; A192-L196 PolarHBondContact O-N 2.74Å; L193-L196 PolarHBondContact O-N 2.97Å; L196-L199 PolarHBondContact O-N 3.43Å; L196-Q200 WeakPolarHBondContact O-CG 3.29Å; L196-Q200 PolarHBondContact O-N 3.16Å |
| 197 | E | 93.4 | Very high | 86.6 | Confident | 123 Ų | 123 | 93.1 Ų | 93.1 | 58% | 0.575 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.7 | -42.8 | 175.2 | -173.1 | 173 | -152.8 | 0 | 0 | 111.4 | L193 L199 Q200 N201 | L193-E197 WeakPolarHBondContact O-CB 3.18Å; L193-E197 PolarHBondContact O-N 2.84Å; E197-L199 VanDerWaalsContact C-N 3.34Å; E197-L199 PolarHBondContact O-N 2.8Å; E197-Q200 PolarHBondContact O-N 3.42Å; E197-N201 PolarHBondContact O-N 2.76Å; E197-N201 PolarHBondContact O-ND2 3.14Å; E197-N201 PolarHBondContact O-OD1 2.89Å |
| 198 | Q | 94.6 | Very high | 88.5 | Confident | 135 Ų | 135 | 96.2 Ų | 96.2 | 63% | 0.631 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.6 | -40.2 | 171.7 | -75.6 | 170.3 | -8.1 | 0 | 0 | 112.7 | G194 Q195 K202 | G194-Q198 WeakPolarHBondContact O-CB 3.28Å; G194-Q198 VanDerWaalsContact O-CG 3.23Å; G194-Q198 WeakPolarHBondContact O-CG 3.38Å; G194-Q198 PolarHBondContact O-N 2.91Å; Q195-Q198 PolarHBondContact O-N 3.41Å; Q198-K202 WeakPolarHBondContact O-CB 3.35Å; Q198-K202 PolarHBondContact O-N 3.37Å |
| 199 | L | 94.8 | Very high | 90.3 | Very high | 120 Ų | 120 | 98.2 Ų | 98.2 | 63% | 0.628 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -70.4 | -34.9 | 176.2 | -73.3 | 168.1 | 0 | 0 | 0 | 112.5 | Q195 L196 E197 L203 | Q195-L199 WeakPolarHBondContact O-CB 3.14Å; Q195-L199 VanDerWaalsContact O-CG 3.27Å; Q195-L199 WeakPolarHBondContact O-CG 3.42Å; Q195-L199 PolarHBondContact O-N 2.83Å; L196-L199 PolarHBondContact O-N 3.43Å; E197-L199 VanDerWaalsContact C-N 3.34Å; E197-L199 PolarHBondContact O-N 2.8Å; L199-L203 VanDerWaalsContact O-CB 3.29Å; L199-L203 WeakPolarHBondContact O-CB 3.43Å; L199-L203 PolarHBondContact O-N 2.66Å |
| 200 | Q | 95.7 | Very high | 91.8 | Very high | 122 Ų | 122 | 99.3 Ų | 99.3 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.2 | -48 | 173.1 | -73.9 | -172.1 | -91.8 | 0 | 0 | 111.3 | L196 E197 K202 L203 E204 | L196-Q200 WeakPolarHBondContact O-CG 3.29Å; L196-Q200 PolarHBondContact O-N 3.16Å; E197-Q200 PolarHBondContact O-N 3.42Å; Q200-K202 VanDerWaalsContact C-N 3.34Å; Q200-K202 PolarHBondContact O-N 3.42Å; Q200-L203 WeakPolarHBondContact O-CB 3.46Å; Q200-L203 PolarHBondContact O-N 3.31Å; Q200-L203 VanDerWaalsContact O-N 3.09Å; Q200-E204 PolarHBondContact O-N 2.85Å |
| 201 | N | 95.9 | Very high | 93 | Very high | 80 Ų | 80 | 100.1 Ų | 100.1 | 43% | 0.428 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -41.3 | 177.8 | -62.5 | -13.1 | 0 | 0 | 0 | 111.5 | E197 L203 E204 E205 | E197-N201 PolarHBondContact O-N 2.76Å; E197-N201 PolarHBondContact O-ND2 3.14Å; E197-N201 PolarHBondContact O-OD1 2.89Å; N201-L203 VanDerWaalsContact C-N 3.3Å; N201-L203 PolarHBondContact O-N 2.93Å; N201-E204 PolarHBondContact O-N 2.67Å; N201-E205 WeakPolarHBondContact O-CB 3.27Å; N201-E205 WeakPolarHBondContact O-CG 3.26Å; N201-E205 PolarHBondContact O-N 2.8Å |
| 202 | K | 97.5 | Very high | 94.1 | Very high | 90 Ų | 90 | 99.9 Ų | 99.9 | 39% | 0.391 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.4 | -27.9 | 175.6 | -170.8 | 59.8 | -103.9 | 174 | 0 | 112.5 | Q198 Q200 E205 L206 | Q198-K202 WeakPolarHBondContact O-CB 3.35Å; Q198-K202 PolarHBondContact O-N 3.37Å; Q200-K202 VanDerWaalsContact C-N 3.34Å; Q200-K202 PolarHBondContact O-N 3.42Å; K202-E205 WeakPolarHBondContact CD-OE2 3.45Å; K202-E205 VanDerWaalsContact CE-OE2 3.26Å; K202-E205 WeakPolarHBondContact CE-OE2 3.38Å; K202-E205 IonicContact NZ-OE2 2.84Å; K202-E205 PolarHBondContact NZ-OE2 3.42Å; K202-L206 HydrophobicContact CG-CD1 4.47Å; K202-L206 WeakPolarHBondContact O-CB 3.5Å; K202-L206 WeakPolarHBondContact O-CD1 3.39Å; K202-L206 VanDerWaalsContact O-CG 3.23Å; K202-L206 WeakPolarHBondContact O-CG 3.45Å; K202-L206 PolarHBondContact O-N 2.74Å |
| 203 | L | 96.8 | Very high | 95.1 | Very high | 96 Ų | 96 | 101.8 Ų | 101.8 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72.6 | -43.6 | 172.1 | -178 | 145.3 | 0 | 0 | 0 | 111.1 | L199 Q200 N201 L206 E207 | L199-L203 VanDerWaalsContact O-CB 3.29Å; L199-L203 WeakPolarHBondContact O-CB 3.43Å; L199-L203 PolarHBondContact O-N 2.66Å; Q200-L203 WeakPolarHBondContact O-CB 3.46Å; Q200-L203 PolarHBondContact O-N 3.31Å; Q200-L203 VanDerWaalsContact O-N 3.09Å; N201-L203 VanDerWaalsContact C-N 3.3Å; N201-L203 PolarHBondContact O-N 2.93Å; L203-L206 PolarHBondContact O-N 3.32Å; L203-E207 HydrophobicContact CD2-CG 4.24Å; L203-E207 WeakPolarHBondContact O-CG 3.23Å; L203-E207 PolarHBondContact O-N 2.9Å |
| 204 | E | 97.6 | Very high | 95.8 | Very high | 116 Ų | 116 | 104.3 Ų | 104.3 | 54% | 0.542 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 175 | -171.2 | 167.4 | -151.3 | 0 | 0 | 111.6 | Q200 N201 L206 E207 E208 | Q200-E204 PolarHBondContact O-N 2.85Å; N201-E204 PolarHBondContact O-N 2.67Å; E204-L206 VanDerWaalsContact C-N 3.29Å; E204-L206 PolarHBondContact O-N 3.43Å; E204-E207 PolarHBondContact O-N 2.92Å; E204-E207 VanDerWaalsContact O-N 3.13Å; E204-E208 PolarHBondContact O-N 2.88Å |
| 205 | E | 97.8 | Very high | 96.3 | Very high | 110 Ų | 110 | 106.5 Ų | 106.5 | 51% | 0.514 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -54.9 | -42 | 172 | -76.5 | 176.9 | -176.2 | 0 | 0 | 112.5 | N201 K202 E209 | N201-E205 WeakPolarHBondContact O-CB 3.27Å; N201-E205 WeakPolarHBondContact O-CG 3.26Å; N201-E205 PolarHBondContact O-N 2.8Å; K202-E205 WeakPolarHBondContact CD-OE2 3.45Å; K202-E205 VanDerWaalsContact CE-OE2 3.26Å; K202-E205 WeakPolarHBondContact CE-OE2 3.38Å; K202-E205 IonicContact NZ-OE2 2.84Å; K202-E205 PolarHBondContact NZ-OE2 3.42Å; E205-E209 VanDerWaalsContact O-CB 3.3Å; E205-E209 WeakPolarHBondContact O-CB 3.47Å; E205-E209 PolarHBondContact O-N 3.09Å |
| 206 | L | 97.7 | Very high | 96.7 | Very high | 92 Ų | 92 | 106.2 Ų | 106.2 | 48% | 0.482 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -74.5 | -29.8 | 178.8 | -74.2 | 168.2 | 0 | 0 | 0 | 112.6 | K202 L203 E204 N210 | K202-L206 HydrophobicContact CG-CD1 4.47Å; K202-L206 WeakPolarHBondContact O-CB 3.5Å; K202-L206 WeakPolarHBondContact O-CD1 3.39Å; K202-L206 VanDerWaalsContact O-CG 3.23Å; K202-L206 WeakPolarHBondContact O-CG 3.45Å; K202-L206 PolarHBondContact O-N 2.74Å; L203-L206 PolarHBondContact O-N 3.32Å; E204-L206 VanDerWaalsContact C-N 3.29Å; E204-L206 PolarHBondContact O-N 3.43Å; L206-N210 WeakPolarHBondContact O-CB 3.46Å; L206-N210 PolarHBondContact O-N 3.02Å |
| 207 | E | 97.6 | Very high | 97.1 | Very high | 129 Ų | 129 | 104.7 Ų | 104.7 | 60% | 0.603 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -70.8 | -41.4 | 173.1 | -74.5 | -173.5 | 163.8 | 0 | 0 | 111.3 | L203 E204 N210 L211 | L203-E207 HydrophobicContact CD2-CG 4.24Å; L203-E207 WeakPolarHBondContact O-CG 3.23Å; L203-E207 PolarHBondContact O-N 2.9Å; E204-E207 PolarHBondContact O-N 2.92Å; E204-E207 VanDerWaalsContact O-N 3.13Å; E207-N210 PolarHBondContact O-N 2.96Å; E207-L211 WeakPolarHBondContact O-CB 3.46Å; E207-L211 PolarHBondContact O-N 2.83Å |
| 208 | E | 97.9 | Very high | 97.4 | Very high | 138 Ų | 138 | 102.5 Ų | 102.5 | 65% | 0.645 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.6 | -47.7 | 171.2 | -70.9 | -161 | 148.2 | 0 | 0 | 111.8 | E204 N210 L211 A212 | E204-E208 PolarHBondContact O-N 2.88Å; E208-N210 PolarHBondContact O-N 3.22Å; E208-L211 PolarHBondContact O-N 3.01Å; E208-A212 WeakPolarHBondContact O-CB 3.39Å; E208-A212 PolarHBondContact O-N 3.09Å |
| 209 | E | 97.9 | Very high | 97.5 | Very high | 103 Ų | 103 | 99.7 Ų | 99.7 | 48% | 0.481 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 177.1 | -175.2 | 177.3 | -173.8 | 0 | 0 | 111.4 | E205 L211 A212 L213 | E205-E209 VanDerWaalsContact O-CB 3.3Å; E205-E209 WeakPolarHBondContact O-CB 3.47Å; E205-E209 PolarHBondContact O-N 3.09Å; E209-L211 VanDerWaalsContact C-N 3.32Å; E209-L211 PolarHBondContact O-N 3.41Å; E209-A212 PolarHBondContact O-N 3.27Å; E209-L213 HydrophobicContact CG-CD1 4.06Å; E209-L213 HydrophobicContact CG-CG 4.49Å; E209-L213 WeakPolarHBondContact O-CB 3.29Å; E209-L213 VanDerWaalsContact O-CG 3.3Å; E209-L213 WeakPolarHBondContact O-CG 3.5Å; E209-L213 PolarHBondContact O-N 3.27Å |
| 210 | N | 97.1 | Very high | 97.7 | Very high | 71 Ų | 71 | 99 Ų | 99 | 38% | 0.38 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.7 | -33.7 | 177.8 | -158.2 | -96.9 | 0 | 0 | 0 | 112.3 | L206 E207 E208 R214 | L206-N210 WeakPolarHBondContact O-CB 3.46Å; L206-N210 PolarHBondContact O-N 3.02Å; E207-N210 PolarHBondContact O-N 2.96Å; E208-N210 PolarHBondContact O-N 3.22Å; N210-R214 WeakPolarHBondContact O-CB 3.4Å; N210-R214 WeakPolarHBondContact O-CD 3.3Å; N210-R214 WeakPolarHBondContact O-CG 3.25Å; N210-R214 PolarHBondContact O-N 3.45Å; N210-R214 VanDerWaalsContact O-N 3.08Å; N210-R214 PolarHBondContact OD1-NE 2.99Å; N210-R214 VanDerWaalsContact OD1-NE 3.15Å; N210-R214 PolarHBondContact OD1-NH1 2.98Å; N210-R214 VanDerWaalsContact OD1-NH1 3.16Å; N210-R214 PolarHBondContact OD1-NH2 3.39Å |
| 211 | L | 98.2 | Very high | 97.9 | Very high | 122 Ų | 122 | 101 Ų | 101 | 64% | 0.639 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -71.6 | -39.5 | 174 | -171.2 | 140.8 | 0 | 0 | 0 | 111.7 | E207 E208 E209 R214 S215 | E207-L211 WeakPolarHBondContact O-CB 3.46Å; E207-L211 PolarHBondContact O-N 2.83Å; E208-L211 PolarHBondContact O-N 3.01Å; E209-L211 VanDerWaalsContact C-N 3.32Å; E209-L211 PolarHBondContact O-N 3.41Å; L211-R214 PolarHBondContact O-N 3.42Å; L211-S215 PolarHBondContact O-N 2.79Å |
| 212 | A | 98.3 | Very high | 98 | Very high | 49 Ų | 49 | 103 Ų | 103 | 41% | 0.405 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.1 | -52.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E208 E209 R214 S215 E216 | E208-A212 WeakPolarHBondContact O-CB 3.39Å; E208-A212 PolarHBondContact O-N 3.09Å; E209-A212 PolarHBondContact O-N 3.27Å; A212-R214 VanDerWaalsContact C-N 3.3Å; A212-R214 PolarHBondContact O-N 2.94Å; A212-S215 CarbonylContact O-C 3.59Å; A212-S215 WeakPolarHBondContact O-CA 3.49Å; A212-S215 WeakPolarHBondContact O-CB 3.35Å; A212-S215 PolarHBondContact O-N 2.77Å; A212-S215 PolarHBondContact O-OG 2.97Å; A212-E216 PolarHBondContact O-N 3.44Å |
| 213 | L | 98.3 | Very high | 98 | Very high | 89 Ų | 89 | 101.4 Ų | 101.4 | 47% | 0.466 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.7 | -38 | 177 | -71.4 | 169.5 | 0 | 0 | 0 | 112.6 | E209 E216 A217 | E209-L213 HydrophobicContact CG-CD1 4.06Å; E209-L213 HydrophobicContact CG-CG 4.49Å; E209-L213 WeakPolarHBondContact O-CB 3.29Å; E209-L213 VanDerWaalsContact O-CG 3.3Å; E209-L213 WeakPolarHBondContact O-CG 3.5Å; E209-L213 PolarHBondContact O-N 3.27Å; L213-E216 PolarHBondContact O-N 3.44Å; L213-A217 WeakPolarHBondContact O-CB 3.43Å; L213-A217 PolarHBondContact O-N 3.12Å |
| 214 | R | 98.3 | Very high | 98.1 | Very high | 168 Ų | 168 | 100 Ų | 100 | 63% | 0.634 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.2 | -38.8 | 172.5 | -77.9 | 168.9 | 176.2 | 157 | 3.4 | 112.1 | N210 L211 A212 C218 | N210-R214 WeakPolarHBondContact O-CB 3.4Å; N210-R214 WeakPolarHBondContact O-CD 3.3Å; N210-R214 WeakPolarHBondContact O-CG 3.25Å; N210-R214 PolarHBondContact O-N 3.45Å; N210-R214 VanDerWaalsContact O-N 3.08Å; N210-R214 PolarHBondContact OD1-NE 2.99Å; N210-R214 VanDerWaalsContact OD1-NE 3.15Å; N210-R214 PolarHBondContact OD1-NH1 2.98Å; N210-R214 VanDerWaalsContact OD1-NH1 3.16Å; N210-R214 PolarHBondContact OD1-NH2 3.39Å; L211-R214 PolarHBondContact O-N 3.42Å; A212-R214 VanDerWaalsContact C-N 3.3Å; A212-R214 PolarHBondContact O-N 2.94Å; R214-C218 WeakPolarHBondContact O-CB 3.17Å; R214-C218 PolarHBondContact O-N 3.04Å; R214-C218 PolarHBondContact O-SG 2.68Å |
| 215 | S | 98.2 | Very high | 98.1 | Very high | 72 Ų | 72 | 99 Ų | 99 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.3 | -38.7 | 176.8 | 81.8 | 0 | 0 | 0 | 0 | 111.9 | L211 A212 C218 Q219 | L211-S215 PolarHBondContact O-N 2.79Å; A212-S215 CarbonylContact O-C 3.59Å; A212-S215 WeakPolarHBondContact O-CA 3.49Å; A212-S215 WeakPolarHBondContact O-CB 3.35Å; A212-S215 PolarHBondContact O-N 2.77Å; A212-S215 PolarHBondContact O-OG 2.97Å; S215-C218 CarbonylContact O-C 3.59Å; S215-C218 PolarHBondContact O-N 3.45Å; S215-Q219 WeakPolarHBondContact O-CB 3.4Å; S215-Q219 PolarHBondContact O-N 3.12Å |
| 216 | E | 98.3 | Very high | 98.1 | Very high | 112 Ų | 112 | 96 Ų | 96 | 52% | 0.523 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.9 | -46.6 | 175.7 | -174.1 | 175.6 | -176.8 | 0 | 0 | 111.3 | A212 L213 C218 Q219 L220 | A212-E216 PolarHBondContact O-N 3.44Å; L213-E216 PolarHBondContact O-N 3.44Å; E216-C218 VanDerWaalsContact C-N 3.26Å; E216-C218 PolarHBondContact O-N 3.38Å; E216-Q219 CarbonylContact O-C 3.6Å; E216-Q219 WeakPolarHBondContact O-CA 3.43Å; E216-Q219 WeakPolarHBondContact O-CB 3.43Å; E216-Q219 PolarHBondContact O-N 3.44Å; E216-L220 PolarHBondContact O-N 3.16Å |
| 217 | A | 98.1 | Very high | 98.2 | Very high | 62 Ų | 62 | 99.1 Ų | 99.1 | 51% | 0.512 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.3 | -36.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L213 Q219 K221 | L213-A217 WeakPolarHBondContact O-CB 3.43Å; L213-A217 PolarHBondContact O-N 3.12Å; A217-Q219 VanDerWaalsContact C-N 3.33Å; A217-K221 WeakPolarHBondContact O-CB 3.3Å; A217-K221 PolarHBondContact O-N 3.45Å |
| 218 | C | 98.1 | Very high | 98.2 | Very high | 77 Ų | 77 | 97.7 Ų | 97.7 | 52% | 0.52 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.1 | -23.7 | 173 | -68.3 | 0 | 0 | 0 | 0 | 113.7 | R214 S215 E216 R222 | R214-C218 WeakPolarHBondContact O-CB 3.17Å; R214-C218 PolarHBondContact O-N 3.04Å; R214-C218 PolarHBondContact O-SG 2.68Å; S215-C218 CarbonylContact O-C 3.59Å; S215-C218 PolarHBondContact O-N 3.45Å; E216-C218 VanDerWaalsContact C-N 3.26Å; E216-C218 PolarHBondContact O-N 3.38Å; C218-R222 PolarHBondContact O-NE 3.28Å; C218-R222 PolarHBondContact O-NH2 3.42Å |
| 219 | Q | 98.5 | Very high | 98.2 | Very high | 76 Ų | 76 | 96.2 Ų | 96.2 | 36% | 0.355 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -77.6 | -54.7 | 173.2 | -177.7 | 61 | 39.5 | 0 | 0 | 110.1 | S215 E216 A217 K221 R222 D223 | S215-Q219 WeakPolarHBondContact O-CB 3.4Å; S215-Q219 PolarHBondContact O-N 3.12Å; E216-Q219 CarbonylContact O-C 3.6Å; E216-Q219 WeakPolarHBondContact O-CA 3.43Å; E216-Q219 WeakPolarHBondContact O-CB 3.43Å; E216-Q219 PolarHBondContact O-N 3.44Å; A217-Q219 VanDerWaalsContact C-N 3.33Å; Q219-K221 VanDerWaalsContact C-N 3.3Å; Q219-K221 PolarHBondContact O-N 3.5Å; Q219-R222 PolarHBondContact O-N 2.92Å; Q219-R222 VanDerWaalsContact OE1-CZ 3.23Å; Q219-D223 WeakPolarHBondContact CG-OD2 3.43Å; Q219-D223 PolarHBondContact NE2-OD1 2.94Å; Q219-D223 PolarHBondContact NE2-OD2 2.9Å; Q219-D223 PolarHBondContact O-N 2.88Å |
| 220 | L | 98.5 | Very high | 98.3 | Very high | 104 Ų | 104 | 96.2 Ų | 96.2 | 55% | 0.545 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -49.7 | -49.7 | 175 | -118.8 | 73.9 | 0 | 0 | 0 | 111.4 | E216 R222 D223 T224 | E216-L220 PolarHBondContact O-N 3.16Å; L220-R222 VanDerWaalsContact C-N 3.3Å; L220-R222 PolarHBondContact O-N 3.36Å; L220-D223 PolarHBondContact O-N 3.35Å; L220-D223 VanDerWaalsContact O-N 3.15Å; L220-T224 WeakPolarHBondContact O-CB 3.36Å; L220-T224 PolarHBondContact O-N 3.45Å; L220-T224 PolarHBondContact O-OG1 2.87Å |
| 221 | K | 98.5 | Very high | 98.3 | Very high | 166 Ų | 166 | 99.1 Ų | 99.1 | 72% | 0.722 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -56.6 | -40.2 | 178.4 | 178.6 | 172.4 | 178.8 | 173.9 | 0 | 113.3 | A217 Q219 M225 | A217-K221 WeakPolarHBondContact O-CB 3.3Å; A217-K221 PolarHBondContact O-N 3.45Å; Q219-K221 VanDerWaalsContact C-N 3.3Å; Q219-K221 PolarHBondContact O-N 3.5Å; K221-M225 PolarHBondContact O-N 3.31Å |
| 222 | R | 98.6 | Very high | 98.3 | Very high | 121 Ų | 121 | 99.6 Ų | 99.6 | 46% | 0.457 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -72.1 | -43.5 | 177.1 | -81.1 | 179.8 | -73.1 | 100.5 | -4.9 | 111 | C218 Q219 L220 M225 T226 | C218-R222 PolarHBondContact O-NE 3.28Å; C218-R222 PolarHBondContact O-NH2 3.42Å; Q219-R222 PolarHBondContact O-N 2.92Å; Q219-R222 VanDerWaalsContact OE1-CZ 3.23Å; L220-R222 VanDerWaalsContact C-N 3.3Å; L220-R222 PolarHBondContact O-N 3.36Å; R222-M225 WeakPolarHBondContact O-CB 3.42Å; R222-M225 PolarHBondContact O-N 3.19Å; R222-T226 WeakPolarHBondContact O-CG2 3.33Å; R222-T226 PolarHBondContact O-N 2.92Å |
| 223 | D | 98.3 | Very high | 98.3 | Very high | 57 Ų | 57 | 102.1 Ų | 102.1 | 31% | 0.305 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -46.6 | -179.2 | -65.7 | -25.2 | 0 | 0 | 0 | 110.6 | Q219 L220 M225 T226 Y227 | Q219-D223 WeakPolarHBondContact CG-OD2 3.43Å; Q219-D223 PolarHBondContact NE2-OD1 2.94Å; Q219-D223 PolarHBondContact NE2-OD2 2.9Å; Q219-D223 PolarHBondContact O-N 2.88Å; L220-D223 PolarHBondContact O-N 3.35Å; L220-D223 VanDerWaalsContact O-N 3.15Å; D223-M225 PolarHBondContact O-N 3.23Å; D223-T226 CarbonylContact O-C 3.54Å; D223-T226 PolarHBondContact O-N 2.87Å; D223-T226 PolarHBondContact O-OG1 3.05Å; D223-Y227 HydrophobicContact CB-CD2 4.48Å; D223-Y227 HydrophobicContact CB-CE2 4.2Å; D223-Y227 WeakPolarHBondContact O-CD2 3.47Å; D223-Y227 PolarHBondContact O-N 3.06Å |
| 224 | T | 98.2 | Very high | 98.4 | Very high | 67 Ų | 67 | 103.8 Ų | 103.8 | 41% | 0.411 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -50.7 | -51.8 | 170.8 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | L220 T226 Y227 E228 | L220-T224 WeakPolarHBondContact O-CB 3.36Å; L220-T224 PolarHBondContact O-N 3.45Å; L220-T224 PolarHBondContact O-OG1 2.87Å; T224-T226 VanDerWaalsContact C-N 3.3Å; T224-T226 PolarHBondContact O-N 3.13Å; T224-Y227 WeakPolarHBondContact O-CA 3.46Å; T224-Y227 WeakPolarHBondContact O-CB 3.35Å; T224-Y227 PolarHBondContact O-N 3.44Å; T224-E228 HydrophobicContact CG2-CG 4.43Å; T224-E228 WeakPolarHBondContact CG2-OE1 3.2Å; T224-E228 WeakPolarHBondContact O-CG 3.41Å; T224-E228 PolarHBondContact O-N 3.3Å |
| 225 | M | 98.1 | Very high | 98.4 | Very high | 95 Ų | 95 | 99.8 Ų | 99.8 | 47% | 0.468 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57 | -42.6 | 177.2 | -168.2 | -170.2 | 86.5 | 0 | 0 | 111.8 | K221 R222 D223 Y227 E228 E229 | K221-M225 PolarHBondContact O-N 3.31Å; R222-M225 WeakPolarHBondContact O-CB 3.42Å; R222-M225 PolarHBondContact O-N 3.19Å; D223-M225 PolarHBondContact O-N 3.23Å; M225-Y227 VanDerWaalsContact C-N 3.29Å; M225-Y227 PolarHBondContact O-N 3.32Å; M225-E228 PolarHBondContact O-N 2.87Å; M225-E229 WeakPolarHBondContact O-CG 3.39Å; M225-E229 PolarHBondContact O-N 2.88Å |
| 226 | T | 98.6 | Very high | 98.4 | Very high | 45 Ų | 45 | 99.6 Ų | 99.6 | 28% | 0.276 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71.6 | -20 | 175.3 | 76.1 | 0 | 0 | 0 | 0 | 113.6 | R222 D223 T224 K230 | R222-T226 WeakPolarHBondContact O-CG2 3.33Å; R222-T226 PolarHBondContact O-N 2.92Å; D223-T226 CarbonylContact O-C 3.54Å; D223-T226 PolarHBondContact O-N 2.87Å; D223-T226 PolarHBondContact O-OG1 3.05Å; T224-T226 VanDerWaalsContact C-N 3.3Å; T224-T226 PolarHBondContact O-N 3.13Å; T226-K230 VanDerWaalsContact C-NZ 3.28Å; T226-K230 WeakPolarHBondContact O-CD 3.43Å; T226-K230 WeakPolarHBondContact O-CE 3.34Å; T226-K230 WeakPolarHBondContact O-CG 3.4Å; T226-K230 PolarHBondContact O-N 2.96Å; T226-K230 PolarHBondContact O-NZ 2.98Å; T226-K230 PolarHBondContact OG1-NZ 3.43Å |
| 227 | Y | 98.5 | Very high | 98.4 | Very high | 158 Ų | 158 | 97 Ų | 97 | 62% | 0.62 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -79.1 | -42.2 | 172.6 | -74.1 | -65.3 | 0 | 0 | 0 | 110.6 | D223 T224 M225 E229 K230 E231 | D223-Y227 HydrophobicContact CB-CD2 4.48Å; D223-Y227 HydrophobicContact CB-CE2 4.2Å; D223-Y227 WeakPolarHBondContact O-CD2 3.47Å; D223-Y227 PolarHBondContact O-N 3.06Å; T224-Y227 WeakPolarHBondContact O-CA 3.46Å; T224-Y227 WeakPolarHBondContact O-CB 3.35Å; T224-Y227 PolarHBondContact O-N 3.44Å; M225-Y227 VanDerWaalsContact C-N 3.29Å; M225-Y227 PolarHBondContact O-N 3.32Å; Y227-E229 VanDerWaalsContact C-N 3.34Å; Y227-E229 PolarHBondContact O-N 3.18Å; Y227-K230 PolarHBondContact O-N 2.89Å; Y227-K230 VanDerWaalsContact O-N 3.13Å; Y227-E231 PolarHBondContact O-N 3.49Å |
| 228 | E | 98.2 | Very high | 98.4 | Very high | 100 Ų | 100 | 98 Ų | 98 | 47% | 0.467 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.2 | -44.3 | 171 | -68.1 | 169.4 | 179.4 | 0 | 0 | 111.6 | T224 M225 K230 E231 Q232 | T224-E228 HydrophobicContact CG2-CG 4.43Å; T224-E228 WeakPolarHBondContact CG2-OE1 3.2Å; T224-E228 WeakPolarHBondContact O-CG 3.41Å; T224-E228 PolarHBondContact O-N 3.3Å; M225-E228 PolarHBondContact O-N 2.87Å; E228-K230 VanDerWaalsContact C-N 3.35Å; E228-K230 PolarHBondContact O-N 3.32Å; E228-E231 PolarHBondContact O-N 3.21Å; E228-Q232 WeakPolarHBondContact O-CB 3.42Å; E228-Q232 VanDerWaalsContact O-CG 3.26Å; E228-Q232 WeakPolarHBondContact O-CG 3.41Å; E228-Q232 PolarHBondContact O-N 2.99Å; E228-Q232 PolarHBondContact O-NE2 2.7Å |
| 229 | E | 98.4 | Very high | 98.4 | Very high | 107 Ų | 107 | 97.7 Ų | 97.7 | 50% | 0.5 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.2 | -40.5 | 174.2 | -75.8 | 172.8 | 169.3 | 0 | 0 | 112.6 | M225 Y227 Q233 | M225-E229 WeakPolarHBondContact O-CG 3.39Å; M225-E229 PolarHBondContact O-N 2.88Å; Y227-E229 VanDerWaalsContact C-N 3.34Å; Y227-E229 PolarHBondContact O-N 3.18Å; E229-Q233 WeakPolarHBondContact O-CB 3.37Å; E229-Q233 PolarHBondContact O-N 2.89Å |
| 230 | K | 98.5 | Very high | 98.4 | Very high | 103 Ų | 103 | 98.8 Ų | 98.8 | 45% | 0.448 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70.3 | -39.7 | 177.7 | -70.7 | 172.3 | -152.5 | 99.8 | 0 | 111.6 | T226 Y227 E228 Q233 L234 | T226-K230 VanDerWaalsContact C-NZ 3.28Å; T226-K230 WeakPolarHBondContact O-CD 3.43Å; T226-K230 WeakPolarHBondContact O-CE 3.34Å; T226-K230 WeakPolarHBondContact O-CG 3.4Å; T226-K230 PolarHBondContact O-N 2.96Å; T226-K230 PolarHBondContact O-NZ 2.98Å; T226-K230 PolarHBondContact OG1-NZ 3.43Å; Y227-K230 PolarHBondContact O-N 2.89Å; Y227-K230 VanDerWaalsContact O-N 3.13Å; E228-K230 VanDerWaalsContact C-N 3.35Å; E228-K230 PolarHBondContact O-N 3.32Å; K230-Q233 PolarHBondContact O-N 2.83Å; K230-L234 WeakPolarHBondContact O-CG 3.33Å; K230-L234 PolarHBondContact O-N 3.15Å |
| 231 | E | 97.9 | Very high | 98.5 | Very high | 131 Ų | 131 | 100.5 Ų | 100.5 | 61% | 0.612 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64 | -45.9 | 175.4 | -173.4 | 176.2 | 173.7 | 0 | 0 | 111 | Y227 E228 Q233 L234 V235 | Y227-E231 PolarHBondContact O-N 3.49Å; E228-E231 PolarHBondContact O-N 3.21Å; E231-Q233 VanDerWaalsContact C-N 3.3Å; E231-Q233 PolarHBondContact O-N 3.08Å; E231-L234 PolarHBondContact O-N 3.07Å; E231-V235 WeakPolarHBondContact O-CG2 3.5Å; E231-V235 PolarHBondContact O-N 3.1Å |
| 232 | Q | 98.4 | Very high | 98.5 | Very high | 132 Ų | 132 | 98.2 Ų | 98.2 | 62% | 0.617 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58.2 | -40.5 | 173.8 | -73.1 | 171.7 | 50.3 | 0 | 0 | 112.2 | E228 V235 S236 | E228-Q232 WeakPolarHBondContact O-CB 3.42Å; E228-Q232 VanDerWaalsContact O-CG 3.26Å; E228-Q232 WeakPolarHBondContact O-CG 3.41Å; E228-Q232 PolarHBondContact O-N 2.99Å; E228-Q232 PolarHBondContact O-NE2 2.7Å; Q232-V235 PolarHBondContact O-N 3.42Å; Q232-S236 VanDerWaalsContact O-CB 3.31Å; Q232-S236 WeakPolarHBondContact O-CB 3.46Å; Q232-S236 PolarHBondContact O-N 2.93Å |
| 233 | Q | 98.6 | Very high | 98.5 | Very high | 102 Ų | 102 | 100 Ų | 100 | 48% | 0.477 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.7 | -44.9 | 175.4 | -176.7 | 58.1 | 44 | 0 | 0 | 112.1 | E229 K230 E231 V235 S236 D237 | E229-Q233 WeakPolarHBondContact O-CB 3.37Å; E229-Q233 PolarHBondContact O-N 2.89Å; K230-Q233 PolarHBondContact O-N 2.83Å; E231-Q233 VanDerWaalsContact C-N 3.3Å; E231-Q233 PolarHBondContact O-N 3.08Å; Q233-V235 VanDerWaalsContact C-N 3.34Å; Q233-V235 PolarHBondContact O-N 3.14Å; Q233-S236 WeakPolarHBondContact O-CB 3.45Å; Q233-S236 PolarHBondContact O-N 2.94Å; Q233-S236 VanDerWaalsContact O-N 3.15Å; Q233-D237 VanDerWaalsContact NE2-CG 3.25Å; Q233-D237 PolarHBondContact NE2-OD1 3.34Å; Q233-D237 PolarHBondContact NE2-OD2 2.99Å; Q233-D237 PolarHBondContact O-N 3.09Å |
| 234 | L | 98.6 | Very high | 98.5 | Very high | 125 Ų | 125 | 101.9 Ų | 101.9 | 65% | 0.654 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.6 | -38.7 | 176.6 | -71.5 | 170 | 0 | 0 | 0 | 112.3 | K230 E231 C238 | K230-L234 WeakPolarHBondContact O-CG 3.33Å; K230-L234 PolarHBondContact O-N 3.15Å; E231-L234 PolarHBondContact O-N 3.07Å; L234-C238 VanDerWaalsContact O-CB 3.25Å; L234-C238 WeakPolarHBondContact O-CB 3.46Å; L234-C238 PolarHBondContact O-N 3.16Å |
| 235 | V | 98.7 | Very high | 98.5 | Very high | 84 Ų | 84 | 102 Ų | 102 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.3 | -42 | 172.6 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | E231 Q232 Q233 C238 V239 | E231-V235 WeakPolarHBondContact O-CG2 3.5Å; E231-V235 PolarHBondContact O-N 3.1Å; Q232-V235 PolarHBondContact O-N 3.42Å; Q233-V235 VanDerWaalsContact C-N 3.34Å; Q233-V235 PolarHBondContact O-N 3.14Å; V235-C238 PolarHBondContact O-N 3.3Å; V235-V239 HydrophobicContact CG1-CG2 4.46Å; V235-V239 WeakPolarHBondContact O-CB 3.46Å; V235-V239 VanDerWaalsContact O-CG2 3.29Å; V235-V239 WeakPolarHBondContact O-CG2 3.04Å; V235-V239 PolarHBondContact O-N 3.3Å |
| 236 | S | 98.5 | Very high | 98.5 | Very high | 67 Ų | 67 | 101.5 Ų | 101.5 | 47% | 0.469 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.2 | -46 | 176.7 | -171.1 | 0 | 0 | 0 | 0 | 112.3 | Q232 Q233 V239 K240 | Q232-S236 VanDerWaalsContact O-CB 3.31Å; Q232-S236 WeakPolarHBondContact O-CB 3.46Å; Q232-S236 PolarHBondContact O-N 2.93Å; Q233-S236 WeakPolarHBondContact O-CB 3.45Å; Q233-S236 PolarHBondContact O-N 2.94Å; Q233-S236 VanDerWaalsContact O-N 3.15Å; S236-V239 PolarHBondContact O-N 3.02Å; S236-K240 WeakPolarHBondContact O-CB 3.45Å; S236-K240 PolarHBondContact O-N 2.94Å |
| 237 | D | 98.7 | Very high | 98.5 | Very high | 59 Ų | 59 | 103.2 Ų | 103.2 | 32% | 0.316 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.8 | -40.6 | 177.4 | -73.3 | -40.8 | 0 | 0 | 0 | 111.8 | Q233 V239 K240 E241 | Q233-D237 VanDerWaalsContact NE2-CG 3.25Å; Q233-D237 PolarHBondContact NE2-OD1 3.34Å; Q233-D237 PolarHBondContact NE2-OD2 2.99Å; Q233-D237 PolarHBondContact O-N 3.09Å; D237-V239 PolarHBondContact O-N 3.1Å; D237-K240 WeakPolarHBondContact O-CB 3.42Å; D237-K240 PolarHBondContact O-N 3.45Å; D237-K240 VanDerWaalsContact O-N 3.15Å; D237-E241 PolarHBondContact O-N 3.26Å |
| 238 | C | 98.4 | Very high | 98.5 | Very high | 82 Ų | 82 | 101.5 Ų | 101.5 | 55% | 0.554 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.7 | -43.7 | 173 | -178.8 | 0 | 0 | 0 | 0 | 112.4 | L234 V235 K240 E241 L242 | L234-C238 VanDerWaalsContact O-CB 3.25Å; L234-C238 WeakPolarHBondContact O-CB 3.46Å; L234-C238 PolarHBondContact O-N 3.16Å; V235-C238 PolarHBondContact O-N 3.3Å; C238-K240 VanDerWaalsContact C-N 3.29Å; C238-K240 PolarHBondContact O-N 3.33Å; C238-E241 PolarHBondContact O-N 3Å; C238-L242 VanDerWaalsContact O-CB 3.31Å; C238-L242 WeakPolarHBondContact O-CB 3.36Å; C238-L242 PolarHBondContact O-N 3.05Å |
| 239 | V | 98.8 | Very high | 98.5 | Very high | 70 Ų | 70 | 102 Ų | 102 | 42% | 0.424 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.9 | -33.8 | 174.6 | 167 | 0 | 0 | 0 | 0 | 111.6 | V235 S236 D237 R243 | V235-V239 HydrophobicContact CG1-CG2 4.46Å; V235-V239 WeakPolarHBondContact O-CB 3.46Å; V235-V239 VanDerWaalsContact O-CG2 3.29Å; V235-V239 WeakPolarHBondContact O-CG2 3.04Å; V235-V239 PolarHBondContact O-N 3.3Å; S236-V239 PolarHBondContact O-N 3.02Å; D237-V239 PolarHBondContact O-N 3.1Å; V239-R243 WeakPolarHBondContact O-CB 3.32Å; V239-R243 PolarHBondContact O-N 2.78Å |
| 240 | K | 98.6 | Very high | 98.5 | Very high | 99 Ų | 99 | 100.3 Ų | 100.3 | 43% | 0.43 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.6 | -49 | 175.1 | 177.6 | -169.9 | 160.1 | -156.4 | 0 | 111.5 | S236 D237 C238 L242 R243 E244 | S236-K240 WeakPolarHBondContact O-CB 3.45Å; S236-K240 PolarHBondContact O-N 2.94Å; D237-K240 WeakPolarHBondContact O-CB 3.42Å; D237-K240 PolarHBondContact O-N 3.45Å; D237-K240 VanDerWaalsContact O-N 3.15Å; C238-K240 VanDerWaalsContact C-N 3.29Å; C238-K240 PolarHBondContact O-N 3.33Å; K240-L242 VanDerWaalsContact C-N 3.32Å; K240-L242 PolarHBondContact O-N 3.27Å; K240-R243 WeakPolarHBondContact O-CB 3.48Å; K240-R243 PolarHBondContact O-N 2.91Å; K240-R243 VanDerWaalsContact O-N 3.11Å; K240-E244 WeakPolarHBondContact CE-OE1 3.47Å; K240-E244 WeakPolarHBondContact CG-OE1 3.44Å; K240-E244 WeakPolarHBondContact O-CG 3.25Å; K240-E244 PolarHBondContact O-N 2.94Å |
| 241 | E | 98.6 | Very high | 98.6 | Very high | 140 Ų | 140 | 98.1 Ų | 98.1 | 65% | 0.654 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.1 | -41.4 | 175.7 | -73.2 | -173.8 | 179.6 | 0 | 0 | 111.6 | D237 C238 R243 E244 S245 | D237-E241 PolarHBondContact O-N 3.26Å; C238-E241 PolarHBondContact O-N 3Å; E241-R243 VanDerWaalsContact C-N 3.33Å; E241-R243 PolarHBondContact O-N 2.84Å; E241-E244 PolarHBondContact O-N 3.15Å; E241-S245 WeakPolarHBondContact O-CB 3.35Å; E241-S245 PolarHBondContact O-N 3.27Å |
| 242 | L | 98.6 | Very high | 98.6 | Very high | 119 Ų | 119 | 97 Ų | 97 | 62% | 0.623 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.3 | -40.9 | 173.8 | -177.7 | 61.6 | 0 | 0 | 0 | 111.8 | C238 K240 N246 | C238-L242 VanDerWaalsContact O-CB 3.31Å; C238-L242 WeakPolarHBondContact O-CB 3.36Å; C238-L242 PolarHBondContact O-N 3.05Å; K240-L242 VanDerWaalsContact C-N 3.32Å; K240-L242 PolarHBondContact O-N 3.27Å; L242-N246 VanDerWaalsContact O-CB 3.25Å; L242-N246 WeakPolarHBondContact O-CB 3.43Å; L242-N246 PolarHBondContact O-N 3.11Å |
| 243 | R | 98.5 | Very high | 98.6 | Very high | 159 Ų | 159 | 94.7 Ų | 94.7 | 60% | 0.6 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.9 | -41.5 | 175.3 | -171.9 | -173.9 | -64 | 111.8 | -0.9 | 111.9 | V239 K240 E241 N246 S247 | V239-R243 WeakPolarHBondContact O-CB 3.32Å; V239-R243 PolarHBondContact O-N 2.78Å; K240-R243 WeakPolarHBondContact O-CB 3.48Å; K240-R243 PolarHBondContact O-N 2.91Å; K240-R243 VanDerWaalsContact O-N 3.11Å; E241-R243 VanDerWaalsContact C-N 3.33Å; E241-R243 PolarHBondContact O-N 2.84Å; R243-N246 PolarHBondContact O-N 3.07Å; R243-S247 WeakPolarHBondContact O-CB 3.17Å; R243-S247 PolarHBondContact O-N 3.14Å |
| 244 | E | 98.6 | Very high | 98.6 | Very high | 95 Ų | 95 | 93.7 Ų | 93.7 | 44% | 0.444 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.8 | -41.8 | 177.9 | -72.7 | 176.5 | -165.8 | 0 | 0 | 111.5 | K240 E241 S247 Q248 | K240-E244 WeakPolarHBondContact CE-OE1 3.47Å; K240-E244 WeakPolarHBondContact CG-OE1 3.44Å; K240-E244 WeakPolarHBondContact O-CG 3.25Å; K240-E244 PolarHBondContact O-N 2.94Å; E241-E244 PolarHBondContact O-N 3.15Å; E244-S247 WeakPolarHBondContact O-CB 3.22Å; E244-S247 PolarHBondContact O-N 3.29Å; E244-Q248 WeakPolarHBondContact O-CG 3.25Å; E244-Q248 PolarHBondContact O-N 3.22Å; E244-Q248 PolarHBondContact O-NE2 3.26Å |
| 245 | S | 98.6 | Very high | 98.6 | Very high | 71 Ų | 71 | 92.3 Ų | 92.3 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 172.8 | -174.2 | 0 | 0 | 0 | 0 | 112.1 | E241 Q248 M249 | E241-S245 WeakPolarHBondContact O-CB 3.35Å; E241-S245 PolarHBondContact O-N 3.27Å; S245-Q248 PolarHBondContact O-N 3.31Å; S245-M249 PolarHBondContact O-N 3.44Å |
| 246 | N | 98.4 | Very high | 98.6 | Very high | 84 Ų | 84 | 94.3 Ų | 94.3 | 45% | 0.449 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66 | -38.9 | 175.8 | -169.9 | 51 | 0 | 0 | 0 | 111.5 | L242 R243 M249 V250 | L242-N246 VanDerWaalsContact O-CB 3.25Å; L242-N246 WeakPolarHBondContact O-CB 3.43Å; L242-N246 PolarHBondContact O-N 3.11Å; R243-N246 PolarHBondContact O-N 3.07Å; N246-M249 PolarHBondContact O-N 2.96Å; N246-M249 WeakPolarHBondContact OD1-CE 3.37Å; N246-V250 WeakPolarHBondContact O-CG2 3.35Å; N246-V250 PolarHBondContact O-N 3.25Å |
| 247 | S | 98.6 | Very high | 98.6 | Very high | 80 Ų | 80 | 93.7 Ų | 93.7 | 56% | 0.559 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.1 | -42.3 | 173.9 | -168.9 | 0 | 0 | 0 | 0 | 112.3 | R243 E244 V250 S251 | R243-S247 WeakPolarHBondContact O-CB 3.17Å; R243-S247 PolarHBondContact O-N 3.14Å; E244-S247 WeakPolarHBondContact O-CB 3.22Å; E244-S247 PolarHBondContact O-N 3.29Å; S247-V250 PolarHBondContact O-N 3.17Å; S247-S251 PolarHBondContact O-N 2.87Å |
| 248 | Q | 98.7 | Very high | 98.6 | Very high | 123 Ų | 123 | 95.9 Ų | 95.9 | 58% | 0.575 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.4 | -41.9 | 173 | -70.1 | 169.3 | 48.7 | 0 | 0 | 112 | E244 S245 V250 S251 L252 | E244-Q248 WeakPolarHBondContact O-CG 3.25Å; E244-Q248 PolarHBondContact O-N 3.22Å; E244-Q248 PolarHBondContact O-NE2 3.26Å; S245-Q248 PolarHBondContact O-N 3.31Å; Q248-V250 VanDerWaalsContact C-N 3.34Å; Q248-V250 PolarHBondContact O-N 2.97Å; Q248-S251 PolarHBondContact O-N 2.88Å; Q248-L252 WeakPolarHBondContact O-CB 3.42Å; Q248-L252 WeakPolarHBondContact O-CG 3.29Å; Q248-L252 PolarHBondContact O-N 3.29Å |
| 249 | M | 98.6 | Very high | 98.6 | Very high | 109 Ų | 109 | 97.7 Ų | 97.7 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.4 | -37.9 | 176.2 | -179.9 | 169.4 | 58.1 | 0 | 0 | 112.4 | S245 N246 T253 | S245-M249 PolarHBondContact O-N 3.44Å; N246-M249 PolarHBondContact O-N 2.96Å; N246-M249 WeakPolarHBondContact OD1-CE 3.37Å; M249-T253 WeakPolarHBondContact O-CB 3.31Å; M249-T253 PolarHBondContact O-N 2.87Å; M249-T253 PolarHBondContact O-OG1 3.13Å |
| 250 | V | 98.6 | Very high | 98.6 | Very high | 72 Ų | 72 | 98.1 Ų | 98.1 | 44% | 0.436 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.9 | -49.8 | 172.7 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | N246 S247 Q248 L252 T253 D254 | N246-V250 WeakPolarHBondContact O-CG2 3.35Å; N246-V250 PolarHBondContact O-N 3.25Å; S247-V250 PolarHBondContact O-N 3.17Å; Q248-V250 VanDerWaalsContact C-N 3.34Å; Q248-V250 PolarHBondContact O-N 2.97Å; V250-L252 VanDerWaalsContact C-N 3.32Å; V250-L252 PolarHBondContact O-N 3.2Å; V250-T253 CarbonylContact O-C 3.59Å; V250-T253 WeakPolarHBondContact O-CA 3.26Å; V250-T253 WeakPolarHBondContact O-CB 3.42Å; V250-T253 PolarHBondContact O-N 3.45Å; V250-D254 PolarHBondContact O-N 3.28Å |
| 251 | S | 98.7 | Very high | 98.6 | Very high | 57 Ų | 57 | 98.1 Ų | 98.1 | 40% | 0.399 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -54.7 | -46 | 176.7 | -169.6 | 0 | 0 | 0 | 0 | 112.3 | S247 Q248 T253 D254 E255 | S247-S251 PolarHBondContact O-N 2.87Å; Q248-S251 PolarHBondContact O-N 2.88Å; S251-T253 VanDerWaalsContact C-N 3.29Å; S251-T253 PolarHBondContact O-N 3.48Å; S251-D254 PolarHBondContact O-N 3.01Å; S251-E255 WeakPolarHBondContact O-CB 3.48Å; S251-E255 WeakPolarHBondContact O-CG 3.34Å; S251-E255 PolarHBondContact O-N 3.34Å; S251-E255 PolarHBondContact OG-OE1 3.13Å; S251-E255 VanDerWaalsContact OG-OE1 3.13Å |
| 252 | L | 98.7 | Very high | 98.6 | Very high | 108 Ų | 108 | 94.9 Ų | 94.9 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.6 | -29.7 | 177.5 | -70.2 | 171.9 | 0 | 0 | 0 | 112.8 | Q248 V250 L256 | Q248-L252 WeakPolarHBondContact O-CB 3.42Å; Q248-L252 WeakPolarHBondContact O-CG 3.29Å; Q248-L252 PolarHBondContact O-N 3.29Å; V250-L252 VanDerWaalsContact C-N 3.32Å; V250-L252 PolarHBondContact O-N 3.2Å; L252-L256 VanDerWaalsContact O-CB 3.23Å; L252-L256 WeakPolarHBondContact O-CB 3.31Å; L252-L256 PolarHBondContact O-N 3.45Å |
| 253 | T | 98.6 | Very high | 98.6 | Very high | 83 Ų | 83 | 93.1 Ų | 93.1 | 51% | 0.509 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -72.2 | -41.9 | 174.2 | -57.7 | 0 | 0 | 0 | 0 | 110.8 | M249 V250 S251 L256 S257 | M249-T253 WeakPolarHBondContact O-CB 3.31Å; M249-T253 PolarHBondContact O-N 2.87Å; M249-T253 PolarHBondContact O-OG1 3.13Å; V250-T253 CarbonylContact O-C 3.59Å; V250-T253 WeakPolarHBondContact O-CA 3.26Å; V250-T253 WeakPolarHBondContact O-CB 3.42Å; V250-T253 PolarHBondContact O-N 3.45Å; S251-T253 VanDerWaalsContact C-N 3.29Å; S251-T253 PolarHBondContact O-N 3.48Å; T253-L256 PolarHBondContact O-N 2.88Å; T253-S257 PolarHBondContact O-N 2.9Å |
| 254 | D | 98.4 | Very high | 98.6 | Very high | 82 Ų | 82 | 89.1 Ų | 89.1 | 44% | 0.439 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 176 | -69.1 | -21.7 | 0 | 0 | 0 | 111.1 | V250 S251 L256 S257 Q258 | V250-D254 PolarHBondContact O-N 3.28Å; S251-D254 PolarHBondContact O-N 3.01Å; D254-L256 PolarHBondContact O-N 2.92Å; D254-S257 PolarHBondContact O-N 3.32Å; D254-S257 PolarHBondContact O-OG 2.76Å; D254-Q258 WeakPolarHBondContact O-CG 3.26Å; D254-Q258 PolarHBondContact O-N 2.93Å |
| 255 | E | 98.6 | Very high | 98.6 | Very high | 96 Ų | 96 | 91 Ų | 91 | 45% | 0.449 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 173.1 | -75.4 | 173 | -121.2 | 0 | 0 | 111.8 | S251 S257 Q258 K259 | S251-E255 WeakPolarHBondContact O-CB 3.48Å; S251-E255 WeakPolarHBondContact O-CG 3.34Å; S251-E255 PolarHBondContact O-N 3.34Å; S251-E255 PolarHBondContact OG-OE1 3.13Å; S251-E255 VanDerWaalsContact OG-OE1 3.13Å; E255-S257 VanDerWaalsContact C-N 3.33Å; E255-S257 PolarHBondContact O-N 2.87Å; E255-Q258 PolarHBondContact O-N 2.88Å; E255-K259 VanDerWaalsContact O-CG 3.26Å; E255-K259 WeakPolarHBondContact O-CG 3.36Å; E255-K259 PolarHBondContact O-N 3.42Å |
| 256 | L | 98.6 | Very high | 98.6 | Very high | 125 Ų | 125 | 92.4 Ų | 92.4 | 65% | 0.654 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.8 | -38.2 | 175.3 | -172.5 | 153.2 | 0 | 0 | 0 | 111.5 | L252 T253 D254 K259 N260 | L252-L256 VanDerWaalsContact O-CB 3.23Å; L252-L256 WeakPolarHBondContact O-CB 3.31Å; L252-L256 PolarHBondContact O-N 3.45Å; T253-L256 PolarHBondContact O-N 2.88Å; D254-L256 PolarHBondContact O-N 2.92Å; L256-K259 PolarHBondContact O-N 3.39Å; L256-N260 WeakPolarHBondContact O-CB 3.4Å; L256-N260 PolarHBondContact O-N 3.04Å |
| 257 | S | 98.4 | Very high | 98.6 | Very high | 54 Ų | 54 | 94.2 Ų | 94.2 | 38% | 0.378 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 175.4 | 84.5 | 0 | 0 | 0 | 0 | 111.9 | T253 D254 E255 K259 N260 E261 | T253-S257 PolarHBondContact O-N 2.9Å; D254-S257 PolarHBondContact O-N 3.32Å; D254-S257 PolarHBondContact O-OG 2.76Å; E255-S257 VanDerWaalsContact C-N 3.33Å; E255-S257 PolarHBondContact O-N 2.87Å; S257-K259 PolarHBondContact O-N 3.25Å; S257-N260 WeakPolarHBondContact O-CB 3.17Å; S257-N260 PolarHBondContact O-N 2.99Å; S257-N260 VanDerWaalsContact O-N 3.15Å; S257-E261 PolarHBondContact O-N 3.05Å |
| 258 | Q | 98.7 | Very high | 98.6 | Very high | 105 Ų | 105 | 96 Ų | 96 | 49% | 0.491 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 176.3 | -68.9 | 168 | 41.5 | 0 | 0 | 111.3 | D254 E255 N260 E261 E262 | D254-Q258 WeakPolarHBondContact O-CG 3.26Å; D254-Q258 PolarHBondContact O-N 2.93Å; E255-Q258 PolarHBondContact O-N 2.88Å; Q258-N260 VanDerWaalsContact C-N 3.3Å; Q258-N260 PolarHBondContact O-N 2.95Å; Q258-E261 PolarHBondContact O-N 2.97Å; Q258-E262 WeakPolarHBondContact O-CG 3.38Å; Q258-E262 PolarHBondContact O-N 3.41Å |
| 259 | K | 98.4 | Very high | 98.6 | Very high | 121 Ų | 121 | 95 Ų | 95 | 53% | 0.526 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.4 | -32.4 | 174.7 | -67.8 | -71.2 | 158.8 | -129.8 | 0 | 112.7 | E255 L256 S257 E262 L263 | E255-K259 VanDerWaalsContact O-CG 3.26Å; E255-K259 WeakPolarHBondContact O-CG 3.36Å; E255-K259 PolarHBondContact O-N 3.42Å; L256-K259 PolarHBondContact O-N 3.39Å; S257-K259 PolarHBondContact O-N 3.25Å; K259-E262 WeakPolarHBondContact CD-OE2 3.36Å; K259-E262 IonicContact NZ-OE1 2.68Å; K259-E262 PolarHBondContact NZ-OE1 3.23Å; K259-E262 IonicContact NZ-OE2 3.15Å; K259-E262 PolarHBondContact NZ-OE2 2.9Å; K259-L263 WeakPolarHBondContact O-CB 3.49Å; K259-L263 PolarHBondContact O-N 3.39Å |
| 260 | N | 98.5 | Very high | 98.6 | Very high | 78 Ų | 78 | 94.7 Ų | 94.7 | 42% | 0.417 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.6 | -39.6 | 172.2 | -174 | 75.8 | 0 | 0 | 0 | 111.9 | L256 S257 Q258 L263 L264 | L256-N260 WeakPolarHBondContact O-CB 3.4Å; L256-N260 PolarHBondContact O-N 3.04Å; S257-N260 WeakPolarHBondContact O-CB 3.17Å; S257-N260 PolarHBondContact O-N 2.99Å; S257-N260 VanDerWaalsContact O-N 3.15Å; Q258-N260 VanDerWaalsContact C-N 3.3Å; Q258-N260 PolarHBondContact O-N 2.95Å; N260-L263 PolarHBondContact O-N 3.3Å; N260-L264 WeakPolarHBondContact O-CG 3.42Å; N260-L264 PolarHBondContact O-N 3.13Å |
| 261 | E | 98.4 | Very high | 98.6 | Very high | 99 Ų | 99 | 94 Ų | 94 | 46% | 0.463 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 171.8 | -66.7 | -167.2 | 173.3 | 0 | 0 | 113.2 | S257 Q258 L263 L264 R265 | S257-E261 PolarHBondContact O-N 3.05Å; Q258-E261 PolarHBondContact O-N 2.97Å; E261-L263 VanDerWaalsContact C-N 3.32Å; E261-L263 PolarHBondContact O-N 3.2Å; E261-L264 PolarHBondContact O-N 2.83Å; E261-R265 WeakPolarHBondContact O-CG 3.25Å; E261-R265 PolarHBondContact O-N 2.88Å; E261-R265 IonicContact OE2-CZ 3.32Å; E261-R265 IonicContact OE2-NH1 3.57Å; E261-R265 PolarHBondContact OE2-NH1 3.09Å; E261-R265 IonicContact OE2-NH2 2.82Å; E261-R265 PolarHBondContact OE2-NH2 3.28Å |
| 262 | E | 98.6 | Very high | 98.6 | Very high | 73 Ų | 73 | 97.6 Ų | 97.6 | 34% | 0.341 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.6 | -46 | 172.9 | -75.1 | 173.4 | -158.6 | 0 | 0 | 111.2 | Q258 K259 L264 R265 H266 | Q258-E262 WeakPolarHBondContact O-CG 3.38Å; Q258-E262 PolarHBondContact O-N 3.41Å; K259-E262 WeakPolarHBondContact CD-OE2 3.36Å; K259-E262 IonicContact NZ-OE1 2.68Å; K259-E262 PolarHBondContact NZ-OE1 3.23Å; K259-E262 IonicContact NZ-OE2 3.15Å; K259-E262 PolarHBondContact NZ-OE2 2.9Å; E262-L264 VanDerWaalsContact C-N 3.33Å; E262-L264 PolarHBondContact O-N 2.87Å; E262-R265 PolarHBondContact O-N 3.08Å; E262-H266 PolarHBondContact O-CD2 3.43Å; E262-H266 PolarHBondContact O-N 2.92Å |
| 263 | L | 98.6 | Very high | 98.6 | Very high | 82 Ų | 82 | 96.5 Ų | 96.5 | 43% | 0.429 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.8 | -40 | 176.9 | -174.5 | 151 | 0 | 0 | 0 | 112 | K259 N260 E261 H266 Q267 | K259-L263 WeakPolarHBondContact O-CB 3.49Å; K259-L263 PolarHBondContact O-N 3.39Å; N260-L263 PolarHBondContact O-N 3.3Å; E261-L263 VanDerWaalsContact C-N 3.32Å; E261-L263 PolarHBondContact O-N 3.2Å; L263-H266 PolarHBondContact O-N 3.3Å; L263-Q267 WeakPolarHBondContact O-CB 3.33Å; L263-Q267 PolarHBondContact O-N 3.13Å |
| 264 | L | 98.4 | Very high | 98.6 | Very high | 75 Ų | 75 | 97.2 Ų | 97.2 | 39% | 0.393 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.1 | -45.1 | 174.7 | -73.1 | 168.3 | 0 | 0 | 0 | 111.9 | N260 E261 E262 H266 Q267 E268 | N260-L264 WeakPolarHBondContact O-CG 3.42Å; N260-L264 PolarHBondContact O-N 3.13Å; E261-L264 PolarHBondContact O-N 2.83Å; E262-L264 VanDerWaalsContact C-N 3.33Å; E262-L264 PolarHBondContact O-N 2.87Å; L264-H266 VanDerWaalsContact C-N 3.31Å; L264-H266 PolarHBondContact O-N 3.45Å; L264-Q267 WeakPolarHBondContact O-CB 3.48Å; L264-Q267 PolarHBondContact O-N 2.95Å; L264-Q267 VanDerWaalsContact O-N 3.09Å; L264-E268 WeakPolarHBondContact O-CG 3.4Å; L264-E268 PolarHBondContact O-N 3Å |
| 265 | R | 98.6 | Very high | 98.6 | Very high | 133 Ų | 133 | 96.2 Ų | 96.2 | 50% | 0.502 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.8 | -41.8 | 174.6 | -70.1 | 179.1 | -168.3 | 97 | 6.6 | 112 | E261 E262 E268 E269 | E261-R265 WeakPolarHBondContact O-CG 3.25Å; E261-R265 PolarHBondContact O-N 2.88Å; E261-R265 IonicContact OE2-CZ 3.32Å; E261-R265 IonicContact OE2-NH1 3.57Å; E261-R265 PolarHBondContact OE2-NH1 3.09Å; E261-R265 IonicContact OE2-NH2 2.82Å; E261-R265 PolarHBondContact OE2-NH2 3.28Å; E262-R265 PolarHBondContact O-N 3.08Å; R265-E268 PolarHBondContact O-N 2.83Å; R265-E269 WeakPolarHBondContact O-CB 3.47Å; R265-E269 PolarHBondContact O-N 2.79Å |
| 266 | H | 98.5 | Very high | 98.6 | Very high | 102 Ų | 102 | 96.8 Ų | 96.8 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.5 | -33.2 | 175.1 | -68.7 | -46.9 | 0 | 0 | 0 | 112.8 | E262 L263 L264 E269 I270 | E262-H266 PolarHBondContact O-CD2 3.43Å; E262-H266 PolarHBondContact O-N 2.92Å; L263-H266 PolarHBondContact O-N 3.3Å; L264-H266 VanDerWaalsContact C-N 3.31Å; L264-H266 PolarHBondContact O-N 3.45Å; H266-E269 IonicContact ND1-OE2 3.59Å; H266-E269 PolarHBondContact ND1-OE2 3.24Å; H266-E269 PolarHBondContact O-N 2.96Å; H266-I270 WeakPolarHBondContact O-CB 2.95Å; H266-I270 WeakPolarHBondContact O-CD1 3.43Å; H266-I270 WeakPolarHBondContact O-CG1 3.48Å; H266-I270 PolarHBondContact O-N 3.37Å |
| 267 | Q | 98.6 | Very high | 98.6 | Very high | 122 Ų | 122 | 94.7 Ų | 94.7 | 57% | 0.57 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -65.3 | -41 | 172.2 | -176.4 | 175 | 59.9 | 0 | 0 | 111.7 | L263 L264 A271 | L263-Q267 WeakPolarHBondContact O-CB 3.33Å; L263-Q267 PolarHBondContact O-N 3.13Å; L264-Q267 WeakPolarHBondContact O-CB 3.48Å; L264-Q267 PolarHBondContact O-N 2.95Å; L264-Q267 VanDerWaalsContact O-N 3.09Å; Q267-A271 WeakPolarHBondContact O-CB 3.38Å; Q267-A271 PolarHBondContact O-N 2.82Å |
| 268 | E | 98.4 | Very high | 98.6 | Very high | 118 Ų | 118 | 96.5 Ų | 96.5 | 55% | 0.551 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.7 | -44 | 173.8 | -70.4 | 177.9 | 170.9 | 0 | 0 | 112.1 | L264 R265 A271 Q272 | L264-E268 WeakPolarHBondContact O-CG 3.4Å; L264-E268 PolarHBondContact O-N 3Å; R265-E268 PolarHBondContact O-N 2.83Å; E268-A271 PolarHBondContact O-N 2.98Å; E268-Q272 VanDerWaalsContact O-CG 3.29Å; E268-Q272 WeakPolarHBondContact O-CG 3.36Å; E268-Q272 PolarHBondContact O-N 2.93Å |
| 269 | E | 98.7 | Very high | 98.6 | Very high | 102 Ų | 102 | 97 Ų | 97 | 48% | 0.477 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 175.3 | -176.7 | 179.4 | -164.9 | 0 | 0 | 111.3 | R265 H266 A271 Q272 L273 | R265-E269 WeakPolarHBondContact O-CB 3.47Å; R265-E269 PolarHBondContact O-N 2.79Å; H266-E269 IonicContact ND1-OE2 3.59Å; H266-E269 PolarHBondContact ND1-OE2 3.24Å; H266-E269 PolarHBondContact O-N 2.96Å; E269-A271 VanDerWaalsContact C-N 3.33Å; E269-A271 PolarHBondContact O-N 2.74Å; E269-Q272 PolarHBondContact O-N 3.21Å; E269-L273 HydrophobicContact CG-CD1 4.17Å; E269-L273 WeakPolarHBondContact O-CB 3.45Å; E269-L273 VanDerWaalsContact O-CG 3.32Å; E269-L273 WeakPolarHBondContact O-CG 3.45Å; E269-L273 PolarHBondContact O-N 3.36Å |
| 270 | I | 98.6 | Very high | 98.6 | Very high | 101 Ų | 101 | 96.2 Ų | 96.2 | 52% | 0.518 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 174.8 | -71.1 | 165 | 0 | 0 | 0 | 110.8 | H266 L273 L274 | H266-I270 WeakPolarHBondContact O-CB 2.95Å; H266-I270 WeakPolarHBondContact O-CD1 3.43Å; H266-I270 WeakPolarHBondContact O-CG1 3.48Å; H266-I270 PolarHBondContact O-N 3.37Å; I270-L273 PolarHBondContact O-N 3.34Å; I270-L274 HydrophobicContact CG2-CD1 3.85Å; I270-L274 HydrophobicContact CG2-CG 4.38Å; I270-L274 WeakPolarHBondContact O-CB 3.4Å; I270-L274 VanDerWaalsContact O-CG 3.23Å; I270-L274 WeakPolarHBondContact O-CG 3.42Å; I270-L274 PolarHBondContact O-N 3.15Å |
| 271 | A | 98.6 | Very high | 98.6 | Very high | 57 Ų | 57 | 97.3 Ų | 97.3 | 47% | 0.471 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q267 E268 E269 L274 S275 | Q267-A271 WeakPolarHBondContact O-CB 3.38Å; Q267-A271 PolarHBondContact O-N 2.82Å; E268-A271 PolarHBondContact O-N 2.98Å; E269-A271 VanDerWaalsContact C-N 3.33Å; E269-A271 PolarHBondContact O-N 2.74Å; A271-L274 PolarHBondContact O-N 2.9Å; A271-S275 PolarHBondContact O-N 3.44Å |
| 272 | Q | 98.7 | Very high | 98.6 | Very high | 133 Ų | 133 | 97.7 Ų | 97.7 | 62% | 0.621 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.4 | -45.5 | 175.3 | -71 | 170.9 | 46.2 | 0 | 0 | 111.8 | E268 E269 L274 S275 Q276 | E268-Q272 VanDerWaalsContact O-CG 3.29Å; E268-Q272 WeakPolarHBondContact O-CG 3.36Å; E268-Q272 PolarHBondContact O-N 2.93Å; E269-Q272 PolarHBondContact O-N 3.21Å; Q272-L274 VanDerWaalsContact C-N 3.33Å; Q272-L274 PolarHBondContact O-N 2.91Å; Q272-S275 WeakPolarHBondContact O-CB 3.42Å; Q272-S275 PolarHBondContact O-N 3.5Å; Q272-Q276 PolarHBondContact O-N 2.95Å |
| 273 | L | 98.8 | Very high | 98.6 | Very high | 85 Ų | 85 | 99 Ų | 99 | 45% | 0.445 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.9 | -38.5 | 175.7 | -70.2 | 171 | 0 | 0 | 0 | 111.8 | E269 I270 Q276 I277 | E269-L273 HydrophobicContact CG-CD1 4.17Å; E269-L273 WeakPolarHBondContact O-CB 3.45Å; E269-L273 VanDerWaalsContact O-CG 3.32Å; E269-L273 WeakPolarHBondContact O-CG 3.45Å; E269-L273 PolarHBondContact O-N 3.36Å; I270-L273 PolarHBondContact O-N 3.34Å; L273-Q276 PolarHBondContact O-N 3.37Å; L273-I277 WeakPolarHBondContact O-CB 3.48Å; L273-I277 WeakPolarHBondContact O-CD1 3.29Å; L273-I277 VanDerWaalsContact O-CG1 3.23Å; L273-I277 WeakPolarHBondContact O-CG1 3.49Å; L273-I277 PolarHBondContact O-N 3.45Å |
| 274 | L | 98.7 | Very high | 98.6 | Very high | 98 Ų | 98 | 99.7 Ų | 99.7 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.1 | -39.5 | 174.3 | -74 | 170.6 | 0 | 0 | 0 | 112.3 | I270 A271 Q272 I277 V278 | I270-L274 HydrophobicContact CG2-CD1 3.85Å; I270-L274 HydrophobicContact CG2-CG 4.38Å; I270-L274 WeakPolarHBondContact O-CB 3.4Å; I270-L274 VanDerWaalsContact O-CG 3.23Å; I270-L274 WeakPolarHBondContact O-CG 3.42Å; I270-L274 PolarHBondContact O-N 3.15Å; A271-L274 PolarHBondContact O-N 2.9Å; Q272-L274 VanDerWaalsContact C-N 3.33Å; Q272-L274 PolarHBondContact O-N 2.91Å; L274-I277 PolarHBondContact O-N 3.43Å; L274-V278 WeakPolarHBondContact O-CG2 3.4Å; L274-V278 PolarHBondContact O-N 3.45Å |
| 275 | S | 98.6 | Very high | 98.6 | Very high | 61 Ų | 61 | 102.4 Ų | 102.4 | 43% | 0.427 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.3 | -51 | 172.4 | -163.6 | 0 | 0 | 0 | 0 | 110.8 | A271 Q272 I277 V278 E279 | A271-S275 PolarHBondContact O-N 3.44Å; Q272-S275 WeakPolarHBondContact O-CB 3.42Å; Q272-S275 PolarHBondContact O-N 3.5Å; S275-I277 VanDerWaalsContact C-N 3.29Å; S275-I277 PolarHBondContact O-N 2.91Å; S275-V278 PolarHBondContact O-N 2.97Å; S275-E279 VanDerWaalsContact C-OE1 3.29Å; S275-E279 WeakPolarHBondContact CB-OE1 3.3Å; S275-E279 WeakPolarHBondContact O-CG 3.47Å; S275-E279 PolarHBondContact O-N 2.89Å; S275-E279 PolarHBondContact OG-OE1 2.96Å |
| 276 | Q | 98.8 | Very high | 98.6 | Very high | 109 Ų | 109 | 99.4 Ų | 99.4 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.8 | -39.1 | 177.9 | -175.8 | 176.6 | 97.2 | 0 | 0 | 112.4 | Q272 L273 E279 L280 | Q272-Q276 PolarHBondContact O-N 2.95Å; L273-Q276 PolarHBondContact O-N 3.37Å; Q276-E279 PolarHBondContact O-N 3.36Å; Q276-L280 HydrophobicContact CG-CD1 4Å; Q276-L280 HydrophobicContact CG-CG 4.42Å; Q276-L280 WeakPolarHBondContact O-CB 3.33Å; Q276-L280 VanDerWaalsContact O-CG 3.23Å; Q276-L280 WeakPolarHBondContact O-CG 3.29Å; Q276-L280 PolarHBondContact O-N 3.02Å |
| 277 | I | 98.6 | Very high | 98.6 | Very high | 81 Ų | 81 | 98.6 Ų | 98.6 | 42% | 0.415 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 174.5 | -72.7 | 164.3 | 0 | 0 | 0 | 111.2 | L273 L274 S275 Q281 | L273-I277 WeakPolarHBondContact O-CB 3.48Å; L273-I277 WeakPolarHBondContact O-CD1 3.29Å; L273-I277 VanDerWaalsContact O-CG1 3.23Å; L273-I277 WeakPolarHBondContact O-CG1 3.49Å; L273-I277 PolarHBondContact O-N 3.45Å; L274-I277 PolarHBondContact O-N 3.43Å; S275-I277 VanDerWaalsContact C-N 3.29Å; S275-I277 PolarHBondContact O-N 2.91Å; I277-Q281 HydrophobicContact CG2-CG 4.5Å; I277-Q281 WeakPolarHBondContact O-CB 3.45Å; I277-Q281 VanDerWaalsContact O-CG 3.22Å; I277-Q281 WeakPolarHBondContact O-CG 3.43Å; I277-Q281 PolarHBondContact O-N 2.76Å |
| 278 | V | 98.8 | Very high | 98.6 | Very high | 92 Ų | 92 | 95.4 Ų | 95.4 | 56% | 0.558 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67 | -41.7 | 177.4 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | L274 S275 Q281 H282 | L274-V278 WeakPolarHBondContact O-CG2 3.4Å; L274-V278 PolarHBondContact O-N 3.45Å; S275-V278 PolarHBondContact O-N 2.97Å; V278-Q281 PolarHBondContact O-N 3.29Å; V278-H282 PolarHBondContact O-N 3.23Å |
| 279 | E | 98.6 | Very high | 98.6 | Very high | 115 Ų | 115 | 95.1 Ų | 95.1 | 54% | 0.537 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.9 | -47 | 175.4 | -70 | 160.5 | -131.7 | 0 | 0 | 111.6 | S275 Q276 H282 R283 | S275-E279 VanDerWaalsContact C-OE1 3.29Å; S275-E279 WeakPolarHBondContact CB-OE1 3.3Å; S275-E279 WeakPolarHBondContact O-CG 3.47Å; S275-E279 PolarHBondContact O-N 2.89Å; S275-E279 PolarHBondContact OG-OE1 2.96Å; Q276-E279 PolarHBondContact O-N 3.36Å; E279-H282 WeakPolarHBondContact O-CB 3.33Å; E279-H282 PolarHBondContact O-N 3.41Å; E279-H282 VanDerWaalsContact O-N 3.16Å; E279-R283 PolarHBondContact O-N 2.93Å |
| 280 | L | 98.6 | Very high | 98.6 | Very high | 104 Ų | 104 | 93.9 Ų | 93.9 | 55% | 0.545 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 175.3 | -71.7 | 171.5 | 0 | 0 | 0 | 111.8 | Q276 H282 R283 V284 | Q276-L280 HydrophobicContact CG-CD1 4Å; Q276-L280 HydrophobicContact CG-CG 4.42Å; Q276-L280 WeakPolarHBondContact O-CB 3.33Å; Q276-L280 VanDerWaalsContact O-CG 3.23Å; Q276-L280 WeakPolarHBondContact O-CG 3.29Å; Q276-L280 PolarHBondContact O-N 3.02Å; L280-H282 VanDerWaalsContact C-N 3.28Å; L280-H282 PolarHBondContact O-N 3.02Å; L280-R283 PolarHBondContact O-N 3.08Å; L280-V284 WeakPolarHBondContact O-CB 3.42Å; L280-V284 VanDerWaalsContact O-CG2 3.3Å; L280-V284 WeakPolarHBondContact O-CG2 3.38Å; L280-V284 PolarHBondContact O-N 3.27Å |
| 281 | Q | 98.6 | Very high | 98.6 | Very high | 101 Ų | 101 | 96.6 Ų | 96.6 | 47% | 0.472 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -34.1 | 172.7 | -77.1 | 179.6 | 25.6 | 0 | 0 | 112.4 | I277 V278 K285 | I277-Q281 HydrophobicContact CG2-CG 4.5Å; I277-Q281 WeakPolarHBondContact O-CB 3.45Å; I277-Q281 VanDerWaalsContact O-CG 3.22Å; I277-Q281 WeakPolarHBondContact O-CG 3.43Å; I277-Q281 PolarHBondContact O-N 2.76Å; V278-Q281 PolarHBondContact O-N 3.29Å; Q281-K285 WeakPolarHBondContact O-CD 3.23Å; Q281-K285 VanDerWaalsContact O-CG 3.26Å; Q281-K285 WeakPolarHBondContact O-CG 3.13Å; Q281-K285 PolarHBondContact O-N 2.83Å |
| 282 | H | 98.6 | Very high | 98.6 | Very high | 107 Ų | 107 | 97.7 Ų | 97.7 | 50% | 0.495 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.1 | -47.9 | 173.5 | -167.6 | -30.4 | 0 | 0 | 0 | 110.8 | V278 E279 L280 V284 K285 E286 | V278-H282 PolarHBondContact O-N 3.23Å; E279-H282 WeakPolarHBondContact O-CB 3.33Å; E279-H282 PolarHBondContact O-N 3.41Å; E279-H282 VanDerWaalsContact O-N 3.16Å; L280-H282 VanDerWaalsContact C-N 3.28Å; L280-H282 PolarHBondContact O-N 3.02Å; H282-V284 VanDerWaalsContact C-N 3.32Å; H282-V284 PolarHBondContact O-N 3.44Å; H282-K285 WeakPolarHBondContact O-CB 3.38Å; H282-K285 PolarHBondContact O-N 3.43Å; H282-K285 VanDerWaalsContact O-N 3.09Å; H282-E286 IonicContact CE1-OE1 2.66Å; H282-E286 PolarHBondContact CE1-OE1 3.4Å; H282-E286 IonicContact ND1-OE1 2.79Å; H282-E286 PolarHBondContact ND1-OE1 3.43Å; H282-E286 PolarHBondContact O-N 2.92Å |
| 283 | R | 98.7 | Very high | 98.6 | Very high | 101 Ų | 101 | 96.7 Ų | 96.7 | 38% | 0.381 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.2 | -34.2 | 179.9 | -171.6 | 65.4 | -161.7 | 133.8 | 8.7 | 112.5 | E279 L280 E286 L287 E290 | E279-R283 PolarHBondContact O-N 2.93Å; L280-R283 PolarHBondContact O-N 3.08Å; R283-E286 VanDerWaalsContact CD-OE2 3.24Å; R283-E286 WeakPolarHBondContact CD-OE2 3.34Å; R283-E286 IonicContact CZ-OE2 3.67Å; R283-E286 IonicContact NE-OE2 3.93Å; R283-E286 VanDerWaalsContact NH1-CB 3.33Å; R283-E286 IonicContact NH1-OE2 2.71Å; R283-E286 PolarHBondContact NH1-OE2 2.88Å; R283-E286 PolarHBondContact O-N 3.47Å; R283-L287 HydrophobicContact CG-CD1 4.13Å; R283-L287 VanDerWaalsContact NH2-CD2 3.3Å; R283-L287 WeakPolarHBondContact O-CB 3.23Å; R283-L287 WeakPolarHBondContact O-CG 3.28Å; R283-L287 PolarHBondContact O-N 3.44Å; R283-E290 IonicContact CZ-OE1 3.87Å; R283-E290 VanDerWaalsContact CZ-OE1 3.24Å; R283-E290 IonicContact NH1-OE1 2.7Å; R283-E290 PolarHBondContact NH1-OE1 3.25Å; R283-E290 IonicContact NH2-OE1 2.67Å; R283-E290 PolarHBondContact NH2-OE1 2.82Å; R283-E290 IonicContact NH2-OE2 3.13Å; R283-E290 PolarHBondContact NH2-OE2 2.98Å |
| 284 | V | 98.7 | Very high | 98.5 | Very high | 97 Ų | 97 | 98.4 Ų | 98.4 | 59% | 0.588 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.6 | -37.6 | 172.3 | 168.2 | 0 | 0 | 0 | 0 | 111.8 | L280 H282 A288 | L280-V284 WeakPolarHBondContact O-CB 3.42Å; L280-V284 VanDerWaalsContact O-CG2 3.3Å; L280-V284 WeakPolarHBondContact O-CG2 3.38Å; L280-V284 PolarHBondContact O-N 3.27Å; H282-V284 VanDerWaalsContact C-N 3.32Å; H282-V284 PolarHBondContact O-N 3.44Å; V284-A288 WeakPolarHBondContact O-CB 3.44Å; V284-A288 PolarHBondContact O-N 3.44Å |
| 285 | K | 98.6 | Very high | 98.5 | Very high | 131 Ų | 131 | 99.5 Ų | 99.5 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.6 | -42 | 174.7 | -71 | 162.9 | -172.3 | 168 | 0 | 111.8 | Q281 H282 A288 L289 | Q281-K285 WeakPolarHBondContact O-CD 3.23Å; Q281-K285 VanDerWaalsContact O-CG 3.26Å; Q281-K285 WeakPolarHBondContact O-CG 3.13Å; Q281-K285 PolarHBondContact O-N 2.83Å; H282-K285 WeakPolarHBondContact O-CB 3.38Å; H282-K285 PolarHBondContact O-N 3.43Å; H282-K285 VanDerWaalsContact O-N 3.09Å; K285-A288 PolarHBondContact O-N 2.9Å; K285-L289 WeakPolarHBondContact O-CG 3.19Å; K285-L289 PolarHBondContact O-N 3.15Å; K285-L289 VanDerWaalsContact O-N 3.11Å |
| 286 | E | 98.4 | Very high | 98.5 | Very high | 71 Ų | 71 | 100.9 Ų | 100.9 | 33% | 0.332 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.5 | -52.2 | 174.6 | -67.7 | 174.9 | 164.8 | 0 | 0 | 111.5 | H282 R283 A288 L289 E290 | H282-E286 IonicContact CE1-OE1 2.66Å; H282-E286 PolarHBondContact CE1-OE1 3.4Å; H282-E286 IonicContact ND1-OE1 2.79Å; H282-E286 PolarHBondContact ND1-OE1 3.43Å; H282-E286 PolarHBondContact O-N 2.92Å; R283-E286 VanDerWaalsContact CD-OE2 3.24Å; R283-E286 WeakPolarHBondContact CD-OE2 3.34Å; R283-E286 IonicContact CZ-OE2 3.67Å; R283-E286 IonicContact NE-OE2 3.93Å; R283-E286 VanDerWaalsContact NH1-CB 3.33Å; R283-E286 IonicContact NH1-OE2 2.71Å; R283-E286 PolarHBondContact NH1-OE2 2.88Å; R283-E286 PolarHBondContact O-N 3.47Å; E286-A288 PolarHBondContact O-N 3.04Å; E286-L289 WeakPolarHBondContact O-CA 3.44Å; E286-L289 WeakPolarHBondContact O-CB 3.26Å; E286-L289 PolarHBondContact O-N 3.47Å; E286-E290 WeakPolarHBondContact O-CG 3.38Å; E286-E290 PolarHBondContact O-N 3.1Å |
| 287 | L | 98.3 | Very high | 98.5 | Very high | 84 Ų | 84 | 102 Ų | 102 | 44% | 0.44 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.3 | -29.2 | 177 | -73.5 | 167.4 | 0 | 0 | 0 | 113 | R283 K291 | R283-L287 HydrophobicContact CG-CD1 4.13Å; R283-L287 VanDerWaalsContact NH2-CD2 3.3Å; R283-L287 WeakPolarHBondContact O-CB 3.23Å; R283-L287 WeakPolarHBondContact O-CG 3.28Å; R283-L287 PolarHBondContact O-N 3.44Å; L287-K291 WeakPolarHBondContact O-CB 3.46Å; L287-K291 PolarHBondContact O-N 2.94Å; L287-K291 VanDerWaalsContact O-N 3.11Å |
| 288 | A | 98.6 | Very high | 98.5 | Very high | 56 Ų | 56 | 102.6 Ų | 102.6 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -72.6 | -34.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | V284 K285 E286 E292 | V284-A288 WeakPolarHBondContact O-CB 3.44Å; V284-A288 PolarHBondContact O-N 3.44Å; K285-A288 PolarHBondContact O-N 2.9Å; E286-A288 PolarHBondContact O-N 3.04Å; A288-E292 PolarHBondContact O-N 2.92Å |
| 289 | L | 98.4 | Very high | 98.5 | Very high | 111 Ų | 111 | 101.7 Ų | 101.7 | 58% | 0.581 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -72.5 | -49.7 | 173.2 | -65.9 | 170.9 | 0 | 0 | 0 | 111.1 | K285 E286 K291 E292 E293 | K285-L289 WeakPolarHBondContact O-CG 3.19Å; K285-L289 PolarHBondContact O-N 3.15Å; K285-L289 VanDerWaalsContact O-N 3.11Å; E286-L289 WeakPolarHBondContact O-CA 3.44Å; E286-L289 WeakPolarHBondContact O-CB 3.26Å; E286-L289 PolarHBondContact O-N 3.47Å; L289-K291 PolarHBondContact O-N 3.49Å; L289-E292 PolarHBondContact O-N 3.33Å; L289-E293 WeakPolarHBondContact O-CG 3.4Å; L289-E293 PolarHBondContact O-N 2.99Å |
| 290 | E | 98.3 | Very high | 98.5 | Very high | 76 Ų | 76 | 98.9 Ų | 98.9 | 36% | 0.355 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -51 | -43.5 | 174.7 | -69.7 | 170.8 | -147.8 | 0 | 0 | 111.2 | R283 E286 L294 | R283-E290 IonicContact CZ-OE1 3.87Å; R283-E290 VanDerWaalsContact CZ-OE1 3.24Å; R283-E290 IonicContact NH1-OE1 2.7Å; R283-E290 PolarHBondContact NH1-OE1 3.25Å; R283-E290 IonicContact NH2-OE1 2.67Å; R283-E290 PolarHBondContact NH2-OE1 2.82Å; R283-E290 IonicContact NH2-OE2 3.13Å; R283-E290 PolarHBondContact NH2-OE2 2.98Å; E286-E290 WeakPolarHBondContact O-CG 3.38Å; E286-E290 PolarHBondContact O-N 3.1Å; E290-L294 WeakPolarHBondContact O-CB 3.23Å; E290-L294 VanDerWaalsContact O-CG 3.26Å; E290-L294 WeakPolarHBondContact O-CG 3.41Å; E290-L294 PolarHBondContact O-N 2.87Å |
| 291 | K | 98.2 | Very high | 98.5 | Very high | 159 Ų | 159 | 97.5 Ų | 97.5 | 69% | 0.691 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.8 | -39.8 | 175.9 | 176.9 | -173.3 | 171.5 | -169.5 | 0 | 113.1 | L287 L289 R295 | L287-K291 WeakPolarHBondContact O-CB 3.46Å; L287-K291 PolarHBondContact O-N 2.94Å; L287-K291 VanDerWaalsContact O-N 3.11Å; L289-K291 PolarHBondContact O-N 3.49Å; K291-R295 WeakPolarHBondContact O-CB 3.45Å; K291-R295 PolarHBondContact O-N 3.11Å |
| 292 | E | 98.5 | Very high | 98.5 | Very high | 79 Ų | 79 | 96.8 Ų | 96.8 | 37% | 0.369 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -75.3 | -37.6 | -177.9 | -177.6 | 58.2 | -165.4 | 0 | 0 | 111.6 | A288 L289 R295 I296 | A288-E292 PolarHBondContact O-N 2.92Å; L289-E292 PolarHBondContact O-N 3.33Å; E292-R295 WeakPolarHBondContact O-CB 3.46Å; E292-R295 PolarHBondContact O-N 3.48Å; E292-R295 VanDerWaalsContact O-N 3.16Å; E292-R295 IonicContact OE1-CZ 2.74Å; E292-R295 IonicContact OE1-NE 3.66Å; E292-R295 PolarHBondContact OE1-NE 3.39Å; E292-R295 IonicContact OE1-NH2 2.85Å; E292-R295 PolarHBondContact OE1-NH2 3.03Å; E292-R295 WeakPolarHBondContact OE2-CD 3.41Å; E292-R295 IonicContact OE2-CZ 3.88Å; E292-R295 IonicContact OE2-NE 2.76Å; E292-R295 PolarHBondContact OE2-NE 2.98Å; E292-I296 HydrophobicContact CG-CD1 4.34Å; E292-I296 VanDerWaalsContact O-CG1 3.32Å; E292-I296 WeakPolarHBondContact O-CG1 3.46Å; E292-I296 PolarHBondContact O-N 3.38Å |
| 293 | E | 98.5 | Very high | 98.5 | Very high | 113 Ų | 113 | 95 Ų | 95 | 53% | 0.528 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.2 | -48.8 | 169.4 | -69.3 | 170.8 | -176.6 | 0 | 0 | 111 | L289 R295 I296 H297 | L289-E293 WeakPolarHBondContact O-CG 3.4Å; L289-E293 PolarHBondContact O-N 2.99Å; E293-R295 VanDerWaalsContact C-N 3.29Å; E293-R295 PolarHBondContact O-N 2.72Å; E293-I296 PolarHBondContact O-N 3.32Å; E293-I296 VanDerWaalsContact O-N 3.14Å; E293-H297 PolarHBondContact O-CD2 3.33Å; E293-H297 PolarHBondContact O-N 2.92Å |
| 294 | L | 98.5 | Very high | 98.5 | Very high | 120 Ų | 120 | 92.6 Ų | 92.6 | 63% | 0.628 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.6 | -34.6 | 174.2 | -71.2 | 171.7 | 0 | 0 | 0 | 112.7 | E290 L298 | E290-L294 WeakPolarHBondContact O-CB 3.23Å; E290-L294 VanDerWaalsContact O-CG 3.26Å; E290-L294 WeakPolarHBondContact O-CG 3.41Å; E290-L294 PolarHBondContact O-N 2.87Å; L294-L298 WeakPolarHBondContact O-CB 3.39Å; L294-L298 PolarHBondContact O-N 3.23Å |
| 295 | R | 98.6 | Very high | 98.4 | Very high | 122 Ų | 122 | 94 Ų | 94 | 46% | 0.46 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 173.7 | -168 | -158.1 | 64.3 | 68.2 | 0.2 | 111.4 | K291 E292 E293 Q299 | K291-R295 WeakPolarHBondContact O-CB 3.45Å; K291-R295 PolarHBondContact O-N 3.11Å; E292-R295 WeakPolarHBondContact O-CB 3.46Å; E292-R295 PolarHBondContact O-N 3.48Å; E292-R295 VanDerWaalsContact O-N 3.16Å; E292-R295 IonicContact OE1-CZ 2.74Å; E292-R295 IonicContact OE1-NE 3.66Å; E292-R295 PolarHBondContact OE1-NE 3.39Å; E292-R295 IonicContact OE1-NH2 2.85Å; E292-R295 PolarHBondContact OE1-NH2 3.03Å; E292-R295 WeakPolarHBondContact OE2-CD 3.41Å; E292-R295 IonicContact OE2-CZ 3.88Å; E292-R295 IonicContact OE2-NE 2.76Å; E292-R295 PolarHBondContact OE2-NE 2.98Å; E293-R295 VanDerWaalsContact C-N 3.29Å; E293-R295 PolarHBondContact O-N 2.72Å; R295-Q299 WeakPolarHBondContact O-CB 3.31Å; R295-Q299 PolarHBondContact O-N 2.85Å |
| 296 | I | 98.5 | Very high | 98.4 | Very high | 89 Ų | 89 | 94.3 Ų | 94.3 | 46% | 0.456 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.7 | -46.6 | 176.8 | -68.3 | 162.9 | 0 | 0 | 0 | 110.3 | E292 E293 L298 Q299 A300 | E292-I296 HydrophobicContact CG-CD1 4.34Å; E292-I296 VanDerWaalsContact O-CG1 3.32Å; E292-I296 WeakPolarHBondContact O-CG1 3.46Å; E292-I296 PolarHBondContact O-N 3.38Å; E293-I296 PolarHBondContact O-N 3.32Å; E293-I296 VanDerWaalsContact O-N 3.14Å; I296-L298 PolarHBondContact O-N 2.94Å; I296-Q299 PolarHBondContact O-N 3.36Å; I296-A300 PolarHBondContact O-N 2.84Å |
| 297 | H | 98.6 | Very high | 98.4 | Very high | 132 Ų | 132 | 96.7 Ų | 96.7 | 61% | 0.611 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60 | -43.2 | 175.2 | -72.6 | -59 | 0 | 0 | 0 | 112.8 | E293 Q299 A300 S301 | E293-H297 PolarHBondContact O-CD2 3.33Å; E293-H297 PolarHBondContact O-N 2.92Å; H297-Q299 VanDerWaalsContact C-N 3.31Å; H297-Q299 PolarHBondContact O-N 2.8Å; H297-A300 PolarHBondContact O-N 3.42Å; H297-S301 WeakPolarHBondContact O-CB 3.4Å; H297-S301 PolarHBondContact O-N 3.24Å |
| 298 | L | 98.4 | Very high | 98.4 | Very high | 94 Ų | 94 | 98 Ų | 98 | 49% | 0.492 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.7 | -35 | 175.9 | 179 | 61.4 | 0 | 0 | 0 | 112.4 | L294 I296 K302 | L294-L298 WeakPolarHBondContact O-CB 3.39Å; L294-L298 PolarHBondContact O-N 3.23Å; I296-L298 PolarHBondContact O-N 2.94Å; L298-K302 VanDerWaalsContact O-CG 3.32Å; L298-K302 WeakPolarHBondContact O-CG 3.22Å; L298-K302 PolarHBondContact O-N 2.9Å |
| 299 | Q | 98.6 | Very high | 98.4 | Very high | 73 Ų | 73 | 98.8 Ų | 98.8 | 34% | 0.341 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.9 | -51.9 | 175.5 | -178.8 | 58.9 | 39.7 | 0 | 0 | 110.7 | R295 I296 H297 S301 K302 D303 | R295-Q299 WeakPolarHBondContact O-CB 3.31Å; R295-Q299 PolarHBondContact O-N 2.85Å; I296-Q299 PolarHBondContact O-N 3.36Å; H297-Q299 VanDerWaalsContact C-N 3.31Å; H297-Q299 PolarHBondContact O-N 2.8Å; Q299-S301 VanDerWaalsContact C-N 3.27Å; Q299-S301 PolarHBondContact O-N 3.43Å; Q299-K302 WeakPolarHBondContact O-CB 3.43Å; Q299-K302 PolarHBondContact O-N 2.89Å; Q299-D303 WeakPolarHBondContact CG-OD2 3.37Å; Q299-D303 VanDerWaalsContact NE2-CG 3.27Å; Q299-D303 PolarHBondContact NE2-OD1 3.24Å; Q299-D303 PolarHBondContact NE2-OD2 3.19Å; Q299-D303 PolarHBondContact O-N 3.42Å |
| 300 | A | 98.3 | Very high | 98.4 | Very high | 56 Ų | 56 | 96.1 Ų | 96.1 | 46% | 0.463 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.6 | -38.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I296 H297 D303 A304 | I296-A300 PolarHBondContact O-N 2.84Å; H297-A300 PolarHBondContact O-N 3.42Å; A300-D303 PolarHBondContact O-N 2.88Å; A300-A304 WeakPolarHBondContact O-CB 3.37Å; A300-A304 PolarHBondContact O-N 3.41Å |
| 301 | S | 98.4 | Very high | 98.4 | Very high | 75 Ų | 75 | 96.2 Ų | 96.2 | 52% | 0.524 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 173.8 | 178.5 | 0 | 0 | 0 | 0 | 112.7 | H297 Q299 Q305 | H297-S301 WeakPolarHBondContact O-CB 3.4Å; H297-S301 PolarHBondContact O-N 3.24Å; Q299-S301 VanDerWaalsContact C-N 3.27Å; Q299-S301 PolarHBondContact O-N 3.43Å; S301-Q305 WeakPolarHBondContact O-CB 3.32Å; S301-Q305 PolarHBondContact O-N 3.22Å |
| 302 | K | 98.6 | Very high | 98.4 | Very high | 87 Ų | 87 | 94 Ų | 94 | 38% | 0.378 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.1 | -35.9 | 173.7 | -71.2 | 167.2 | -179.5 | 174.4 | 0 | 112.4 | L298 Q299 Q305 R306 | L298-K302 VanDerWaalsContact O-CG 3.32Å; L298-K302 WeakPolarHBondContact O-CG 3.22Å; L298-K302 PolarHBondContact O-N 2.9Å; Q299-K302 WeakPolarHBondContact O-CB 3.43Å; Q299-K302 PolarHBondContact O-N 2.89Å; K302-Q305 PolarHBondContact O-N 2.81Å; K302-R306 WeakPolarHBondContact O-CG 3.22Å; K302-R306 PolarHBondContact O-N 2.85Å; K302-R306 PolarHBondContact O-NH1 3.15Å |
| 303 | D | 98.5 | Very high | 98.4 | Very high | 70 Ų | 70 | 94.2 Ų | 94.2 | 37% | 0.374 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.9 | -46.7 | 178.6 | -62.2 | -27.8 | 0 | 0 | 0 | 110.4 | Q299 A300 Q305 R306 Q307 | Q299-D303 WeakPolarHBondContact CG-OD2 3.37Å; Q299-D303 VanDerWaalsContact NE2-CG 3.27Å; Q299-D303 PolarHBondContact NE2-OD1 3.24Å; Q299-D303 PolarHBondContact NE2-OD2 3.19Å; Q299-D303 PolarHBondContact O-N 3.42Å; A300-D303 PolarHBondContact O-N 2.88Å; D303-Q305 PolarHBondContact O-N 3.37Å; D303-R306 PolarHBondContact O-N 3.17Å; D303-R306 IonicContact OD1-CZ 2.8Å; D303-R306 IonicContact OD1-NH1 2.74Å; D303-R306 PolarHBondContact OD1-NH1 3.47Å; D303-R306 IonicContact OD1-NH2 3.67Å; D303-Q307 PolarHBondContact O-N 3.18Å |
| 304 | A | 98.3 | Very high | 98.4 | Very high | 49 Ų | 49 | 92.9 Ų | 92.9 | 41% | 0.405 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.1 | -41 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A300 R306 Q307 L308 | A300-A304 WeakPolarHBondContact O-CB 3.37Å; A300-A304 PolarHBondContact O-N 3.41Å; A304-R306 PolarHBondContact O-N 3.13Å; A304-Q307 PolarHBondContact O-N 2.88Å; A304-L308 WeakPolarHBondContact O-CG 3.47Å; A304-L308 PolarHBondContact O-N 3.48Å |
| 305 | Q | 98.3 | Very high | 98.3 | Very high | 126 Ų | 126 | 92.8 Ų | 92.8 | 59% | 0.589 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.9 | -41.7 | 175.5 | -173.1 | -176.5 | 5.2 | 0 | 0 | 111.9 | S301 K302 D303 T309 | S301-Q305 WeakPolarHBondContact O-CB 3.32Å; S301-Q305 PolarHBondContact O-N 3.22Å; K302-Q305 PolarHBondContact O-N 2.81Å; D303-Q305 PolarHBondContact O-N 3.37Å; Q305-T309 WeakPolarHBondContact O-CB 3.47Å; Q305-T309 PolarHBondContact O-N 3.36Å; Q305-T309 PolarHBondContact O-OG1 3.02Å |
| 306 | R | 98.3 | Very high | 98.3 | Very high | 138 Ų | 138 | 89.5 Ų | 89.5 | 52% | 0.521 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.3 | -37.3 | 176.3 | -72.3 | -168.3 | -132.1 | 78.5 | -11.2 | 112 | K302 D303 A304 T309 A310 | K302-R306 WeakPolarHBondContact O-CG 3.22Å; K302-R306 PolarHBondContact O-N 2.85Å; K302-R306 PolarHBondContact O-NH1 3.15Å; D303-R306 PolarHBondContact O-N 3.17Å; D303-R306 IonicContact OD1-CZ 2.8Å; D303-R306 IonicContact OD1-NH1 2.74Å; D303-R306 PolarHBondContact OD1-NH1 3.47Å; D303-R306 IonicContact OD1-NH2 3.67Å; A304-R306 PolarHBondContact O-N 3.13Å; R306-T309 PolarHBondContact O-N 2.95Å; R306-A310 PolarHBondContact O-N 3.44Å |
| 307 | Q | 98.5 | Very high | 98.3 | Very high | 121 Ų | 121 | 91.3 Ų | 91.3 | 57% | 0.565 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.1 | -53.6 | 172.9 | -179 | -178.2 | -22.4 | 0 | 0 | 111.3 | D303 A304 T309 A310 E311 | D303-Q307 PolarHBondContact O-N 3.18Å; A304-Q307 PolarHBondContact O-N 2.88Å; Q307-T309 PolarHBondContact O-N 3.42Å; Q307-A310 WeakPolarHBondContact O-CA 3.34Å; Q307-A310 WeakPolarHBondContact O-CB 3.37Å; Q307-A310 PolarHBondContact O-N 2.95Å; Q307-E311 VanDerWaalsContact CG-OE1 3.3Å; Q307-E311 WeakPolarHBondContact CG-OE1 3.32Å; Q307-E311 PolarHBondContact NE2-OE1 2.85Å; Q307-E311 PolarHBondContact O-N 3.34Å |
| 308 | L | 98.2 | Very high | 98.2 | Very high | 113 Ų | 113 | 90.8 Ų | 90.8 | 59% | 0.592 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.7 | -30.4 | 177.5 | -68.8 | 170.3 | 0 | 0 | 0 | 112.8 | A304 L312 | A304-L308 WeakPolarHBondContact O-CG 3.47Å; A304-L308 PolarHBondContact O-N 3.48Å; L308-L312 WeakPolarHBondContact O-CB 3.38Å; L308-L312 PolarHBondContact O-N 2.72Å |
| 309 | T | 98.3 | Very high | 98.2 | Very high | 71 Ų | 71 | 91.2 Ų | 91.2 | 44% | 0.436 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -71 | -37.8 | 174.2 | -53 | 0 | 0 | 0 | 0 | 111.7 | Q305 R306 Q307 N313 | Q305-T309 WeakPolarHBondContact O-CB 3.47Å; Q305-T309 PolarHBondContact O-N 3.36Å; Q305-T309 PolarHBondContact O-OG1 3.02Å; R306-T309 PolarHBondContact O-N 2.95Å; Q307-T309 PolarHBondContact O-N 3.42Å; T309-N313 VanDerWaalsContact O-CG 3.27Å; T309-N313 PolarHBondContact O-N 2.86Å; T309-N313 VanDerWaalsContact O-N 3.11Å |
| 310 | A | 98.3 | Very high | 98.2 | Very high | 55 Ų | 55 | 90.5 Ų | 90.5 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.9 | -45.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R306 Q307 L312 N313 E314 | R306-A310 PolarHBondContact O-N 3.44Å; Q307-A310 WeakPolarHBondContact O-CA 3.34Å; Q307-A310 WeakPolarHBondContact O-CB 3.37Å; Q307-A310 PolarHBondContact O-N 2.95Å; A310-L312 VanDerWaalsContact C-N 3.29Å; A310-L312 PolarHBondContact O-N 2.94Å; A310-N313 PolarHBondContact O-N 3.31Å; A310-N313 VanDerWaalsContact O-N 3.13Å; A310-E314 WeakPolarHBondContact O-CB 3.29Å; A310-E314 PolarHBondContact O-N 2.97Å |
| 311 | E | 98.2 | Very high | 98.1 | Very high | 78 Ų | 78 | 93 Ų | 93 | 36% | 0.364 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.1 | -38.5 | 175.4 | -69.1 | 171 | -169.9 | 0 | 0 | 112 | Q307 E314 L315 | Q307-E311 VanDerWaalsContact CG-OE1 3.3Å; Q307-E311 WeakPolarHBondContact CG-OE1 3.32Å; Q307-E311 PolarHBondContact NE2-OE1 2.85Å; Q307-E311 PolarHBondContact O-N 3.34Å; E311-E314 PolarHBondContact O-N 2.94Å; E311-L315 WeakPolarHBondContact O-CB 3.48Å; E311-L315 VanDerWaalsContact O-CG 3.31Å; E311-L315 WeakPolarHBondContact O-CG 3.49Å; E311-L315 PolarHBondContact O-N 3.41Å |
| 312 | L | 98.3 | Very high | 98.1 | Very high | 112 Ų | 112 | 92.9 Ų | 92.9 | 59% | 0.586 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.6 | -44.5 | 174.1 | -170.2 | 160.6 | 0 | 0 | 0 | 111.8 | L308 A310 L315 A316 | L308-L312 WeakPolarHBondContact O-CB 3.38Å; L308-L312 PolarHBondContact O-N 2.72Å; A310-L312 VanDerWaalsContact C-N 3.29Å; A310-L312 PolarHBondContact O-N 2.94Å; L312-L315 PolarHBondContact O-N 3.27Å; L312-A316 WeakPolarHBondContact O-CB 3.37Å; L312-A316 PolarHBondContact O-N 3.46Å |
| 313 | N | 97.9 | Very high | 98.1 | Very high | 84 Ų | 84 | 91.8 Ų | 91.8 | 45% | 0.449 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 176.5 | -68.7 | -14 | 0 | 0 | 0 | 111.5 | T309 A310 L315 A316 E317 | T309-N313 VanDerWaalsContact O-CG 3.27Å; T309-N313 PolarHBondContact O-N 2.86Å; T309-N313 VanDerWaalsContact O-N 3.11Å; A310-N313 PolarHBondContact O-N 3.31Å; A310-N313 VanDerWaalsContact O-N 3.13Å; N313-L315 VanDerWaalsContact C-N 3.3Å; N313-L315 PolarHBondContact O-N 2.96Å; N313-A316 CarbonylContact O-C 3.54Å; N313-A316 WeakPolarHBondContact O-CA 3.44Å; N313-A316 WeakPolarHBondContact O-CB 3.5Å; N313-A316 PolarHBondContact O-N 2.82Å; N313-E317 WeakPolarHBondContact O-CG 3.42Å; N313-E317 PolarHBondContact O-N 3.28Å |
| 314 | E | 98 | Very high | 98 | Very high | 86 Ų | 86 | 94.5 Ų | 94.5 | 40% | 0.402 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.9 | -35.3 | 178.1 | -160.3 | -167.6 | 140.2 | 0 | 0 | 111.9 | A310 E311 R318 | A310-E314 WeakPolarHBondContact O-CB 3.29Å; A310-E314 PolarHBondContact O-N 2.97Å; E311-E314 PolarHBondContact O-N 2.94Å; E314-R318 WeakPolarHBondContact O-CG 3.43Å; E314-R318 PolarHBondContact O-N 3.48Å; E314-R318 VanDerWaalsContact O-N 3.1Å; E314-R318 IonicContact OE1-CZ 3.79Å; E314-R318 IonicContact OE1-NH1 3.68Å; E314-R318 PolarHBondContact OE1-NH1 3.31Å; E314-R318 IonicContact OE1-NH2 3.82Å; E314-R318 PolarHBondContact OE1-NH2 3.23Å |
| 315 | L | 97.7 | Very high | 98 | Very high | 118 Ų | 118 | 97.3 Ų | 97.3 | 62% | 0.618 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -71.8 | -33.2 | 170.7 | -73 | 170.7 | 0 | 0 | 0 | 112.8 | E311 L312 N313 N319 | E311-L315 WeakPolarHBondContact O-CB 3.48Å; E311-L315 VanDerWaalsContact O-CG 3.31Å; E311-L315 WeakPolarHBondContact O-CG 3.49Å; E311-L315 PolarHBondContact O-N 3.41Å; L312-L315 PolarHBondContact O-N 3.27Å; N313-L315 VanDerWaalsContact C-N 3.3Å; N313-L315 PolarHBondContact O-N 2.96Å; L315-N319 VanDerWaalsContact O-CB 3.32Å; L315-N319 WeakPolarHBondContact O-CB 3.33Å; L315-N319 PolarHBondContact O-N 2.84Å |
| 316 | A | 98.1 | Very high | 97.9 | Very high | 53 Ų | 53 | 95.2 Ų | 95.2 | 44% | 0.438 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.9 | -39.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L312 N313 N319 A320 | L312-A316 WeakPolarHBondContact O-CB 3.37Å; L312-A316 PolarHBondContact O-N 3.46Å; N313-A316 CarbonylContact O-C 3.54Å; N313-A316 WeakPolarHBondContact O-CA 3.44Å; N313-A316 WeakPolarHBondContact O-CB 3.5Å; N313-A316 PolarHBondContact O-N 2.82Å; A316-N319 PolarHBondContact O-N 3.43Å; A316-A320 PolarHBondContact O-N 3.25Å |
| 317 | E | 98 | Very high | 97.9 | Very high | 126 Ų | 126 | 93.5 Ų | 93.5 | 59% | 0.589 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.8 | -51.2 | 172.6 | -73.5 | 168.7 | -173.8 | 0 | 0 | 110.5 | N313 N319 A320 E321 | N313-E317 WeakPolarHBondContact O-CG 3.42Å; N313-E317 PolarHBondContact O-N 3.28Å; E317-N319 VanDerWaalsContact C-N 3.26Å; E317-N319 PolarHBondContact O-N 3.48Å; E317-A320 WeakPolarHBondContact O-CA 3.27Å; E317-A320 WeakPolarHBondContact O-CB 3.23Å; E317-A320 PolarHBondContact O-N 2.83Å; E317-E321 WeakPolarHBondContact O-CG 3.36Å; E317-E321 PolarHBondContact O-N 2.68Å |
| 318 | R | 98 | Very high | 97.8 | Very high | 122 Ų | 122 | 93.2 Ų | 93.2 | 46% | 0.46 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.3 | -31.6 | 173.8 | -73.3 | -169.7 | -174.5 | 99.4 | 6.8 | 114.2 | E314 C322 | E314-R318 WeakPolarHBondContact O-CG 3.43Å; E314-R318 PolarHBondContact O-N 3.48Å; E314-R318 VanDerWaalsContact O-N 3.1Å; E314-R318 IonicContact OE1-CZ 3.79Å; E314-R318 IonicContact OE1-NH1 3.68Å; E314-R318 PolarHBondContact OE1-NH1 3.31Å; E314-R318 IonicContact OE1-NH2 3.82Å; E314-R318 PolarHBondContact OE1-NH2 3.23Å; R318-C322 WeakPolarHBondContact O-CB 3.27Å; R318-C322 PolarHBondContact O-N 3.03Å; R318-C322 PolarHBondContact O-SG 3.5Å |
| 319 | N | 97.8 | Very high | 97.6 | Very high | 102 Ų | 102 | 90.2 Ų | 90.2 | 55% | 0.545 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -71.7 | -37.1 | 174.5 | -167.8 | 15.7 | 0 | 0 | 0 | 111 | L315 A316 E317 C322 V323 | L315-N319 VanDerWaalsContact O-CB 3.32Å; L315-N319 WeakPolarHBondContact O-CB 3.33Å; L315-N319 PolarHBondContact O-N 2.84Å; A316-N319 PolarHBondContact O-N 3.43Å; E317-N319 VanDerWaalsContact C-N 3.26Å; E317-N319 PolarHBondContact O-N 3.48Å; N319-C322 PolarHBondContact O-N 2.83Å; N319-V323 WeakPolarHBondContact O-CB 3.45Å; N319-V323 VanDerWaalsContact O-CG2 3.27Å; N319-V323 WeakPolarHBondContact O-CG2 3.37Å; N319-V323 PolarHBondContact O-N 3.27Å |
| 320 | A | 97.9 | Very high | 97.5 | Very high | 59 Ų | 59 | 91.7 Ų | 91.7 | 49% | 0.488 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A316 E317 C322 V323 E324 | A316-A320 PolarHBondContact O-N 3.25Å; E317-A320 WeakPolarHBondContact O-CA 3.27Å; E317-A320 WeakPolarHBondContact O-CB 3.23Å; E317-A320 PolarHBondContact O-N 2.83Å; A320-C322 PolarHBondContact O-N 3Å; A320-V323 CarbonylContact O-C 3.58Å; A320-V323 PolarHBondContact O-N 3.29Å; A320-V323 VanDerWaalsContact O-N 3.12Å; A320-E324 WeakPolarHBondContact O-CB 3.3Å; A320-E324 PolarHBondContact O-N 3.14Å |
| 321 | E | 97.4 | Very high | 97.4 | Very high | 109 Ų | 109 | 92.3 Ų | 92.3 | 51% | 0.509 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.1 | -46.3 | 172.5 | -66.4 | 172.3 | 161.9 | 0 | 0 | 111.8 | E317 V323 E324 M325 | E317-E321 WeakPolarHBondContact O-CG 3.36Å; E317-E321 PolarHBondContact O-N 2.68Å; E321-V323 VanDerWaalsContact C-N 3.29Å; E321-V323 PolarHBondContact O-N 2.67Å; E321-E324 PolarHBondContact O-N 2.94Å; E321-M325 PolarHBondContact O-N 3.49Å |
| 322 | C | 97.6 | Very high | 97.2 | Very high | 72 Ų | 72 | 94.9 Ų | 94.9 | 49% | 0.486 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.4 | -37.7 | 175 | -70.6 | 0 | 0 | 0 | 0 | 112.8 | R318 N319 A320 L326 | R318-C322 WeakPolarHBondContact O-CB 3.27Å; R318-C322 PolarHBondContact O-N 3.03Å; R318-C322 PolarHBondContact O-SG 3.5Å; N319-C322 PolarHBondContact O-N 2.83Å; A320-C322 PolarHBondContact O-N 3Å; C322-L326 VanDerWaalsContact O-CB 3.27Å; C322-L326 WeakPolarHBondContact O-CB 3.26Å; C322-L326 PolarHBondContact O-N 2.9Å; C322-L326 VanDerWaalsContact O-N 3.15Å |
| 323 | V | 97.9 | Very high | 96.9 | Very high | 64 Ų | 64 | 93.3 Ų | 93.3 | 39% | 0.388 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -74.3 | -33 | 177.2 | 168.4 | 0 | 0 | 0 | 0 | 111.4 | N319 A320 E321 L326 H327 | N319-V323 WeakPolarHBondContact O-CB 3.45Å; N319-V323 VanDerWaalsContact O-CG2 3.27Å; N319-V323 WeakPolarHBondContact O-CG2 3.37Å; N319-V323 PolarHBondContact O-N 3.27Å; A320-V323 CarbonylContact O-C 3.58Å; A320-V323 PolarHBondContact O-N 3.29Å; A320-V323 VanDerWaalsContact O-N 3.12Å; E321-V323 VanDerWaalsContact C-N 3.29Å; E321-V323 PolarHBondContact O-N 2.67Å; V323-L326 PolarHBondContact O-N 3.39Å; V323-H327 PolarHBondContact O-N 3.29Å; V323-H327 PolarHBondContact O-ND1 3.45Å |
| 324 | E | 97.4 | Very high | 96.7 | Very high | 126 Ų | 126 | 96.2 Ų | 96.2 | 59% | 0.589 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.8 | -53.3 | 174.8 | -171.6 | 159.7 | -147.7 | 0 | 0 | 110.6 | A320 E321 L326 H327 E328 | A320-E324 WeakPolarHBondContact O-CB 3.3Å; A320-E324 PolarHBondContact O-N 3.14Å; E321-E324 PolarHBondContact O-N 2.94Å; E324-L326 PolarHBondContact O-N 2.97Å; E324-L326 VanDerWaalsContact O-N 3.14Å; E324-H327 CarbonylContact O-C 3.59Å; E324-H327 WeakPolarHBondContact O-CA 3.33Å; E324-H327 PolarHBondContact O-N 3.47Å; E324-E328 WeakPolarHBondContact O-CG 3.48Å; E324-E328 PolarHBondContact O-N 3.35Å |
| 325 | M | 97.3 | Very high | 96.4 | Very high | 108 Ų | 108 | 96.2 Ų | 96.2 | 53% | 0.532 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57 | -31.2 | 173.8 | -69.2 | -175.5 | -71.8 | 0 | 0 | 113.1 | E321 S329 | E321-M325 PolarHBondContact O-N 3.49Å; M325-S329 WeakPolarHBondContact O-CB 3.23Å; M325-S329 PolarHBondContact O-N 2.91Å; M325-S329 PolarHBondContact O-OG 3.22Å |
| 326 | L | 97.4 | Very high | 96 | Very high | 83 Ų | 83 | 96 Ų | 96 | 44% | 0.435 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71.4 | -36.2 | 173.7 | 177 | 151.1 | 0 | 0 | 0 | 112.4 | C322 V323 E324 S329 Q330 | C322-L326 VanDerWaalsContact O-CB 3.27Å; C322-L326 WeakPolarHBondContact O-CB 3.26Å; C322-L326 PolarHBondContact O-N 2.9Å; C322-L326 VanDerWaalsContact O-N 3.15Å; V323-L326 PolarHBondContact O-N 3.39Å; E324-L326 PolarHBondContact O-N 2.97Å; E324-L326 VanDerWaalsContact O-N 3.14Å; L326-S329 PolarHBondContact O-OG 3.38Å; L326-Q330 WeakPolarHBondContact O-CB 3.42Å; L326-Q330 VanDerWaalsContact O-CG 3.25Å; L326-Q330 WeakPolarHBondContact O-CG 3.45Å; L326-Q330 PolarHBondContact O-N 3.44Å; L326-Q330 VanDerWaalsContact O-N 3.08Å |
| 327 | H | 97.6 | Very high | 95.4 | Very high | 101 Ų | 101 | 101.9 Ų | 101.9 | 47% | 0.468 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.1 | -42.7 | 172.3 | -74 | 99.2 | 0 | 0 | 0 | 111.6 | V323 E324 S329 Q330 D331 | V323-H327 PolarHBondContact O-N 3.29Å; V323-H327 PolarHBondContact O-ND1 3.45Å; E324-H327 CarbonylContact O-C 3.59Å; E324-H327 WeakPolarHBondContact O-CA 3.33Å; E324-H327 PolarHBondContact O-N 3.47Å; H327-S329 PolarHBondContact O-N 2.94Å; H327-Q330 PolarHBondContact O-N 2.89Å; H327-D331 WeakPolarHBondContact O-CB 3.45Å; H327-D331 PolarHBondContact O-N 3.29Å |
| 328 | E | 95.8 | Very high | 94.6 | Very high | 116 Ų | 116 | 99.6 Ų | 99.6 | 54% | 0.542 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -55 | -53.8 | 174.4 | -69.2 | -178.3 | 136.4 | 0 | 0 | 110.8 | E324 Q330 D331 E332 | E324-E328 WeakPolarHBondContact O-CG 3.48Å; E324-E328 PolarHBondContact O-N 3.35Å; E328-Q330 VanDerWaalsContact C-N 3.33Å; E328-Q330 PolarHBondContact O-N 3.09Å; E328-D331 CarbonylContact O-C 3.56Å; E328-D331 PolarHBondContact O-N 2.7Å; E328-E332 WeakPolarHBondContact O-CG 3.34Å; E328-E332 PolarHBondContact O-N 2.89Å |
| 329 | S | 95.7 | Very high | 93.6 | Very high | 50 Ų | 50 | 103.3 Ų | 103.3 | 35% | 0.35 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66 | -29.9 | 178.3 | 56.5 | 0 | 0 | 0 | 0 | 113.7 | M325 L326 H327 I333 | M325-S329 WeakPolarHBondContact O-CB 3.23Å; M325-S329 PolarHBondContact O-N 2.91Å; M325-S329 PolarHBondContact O-OG 3.22Å; L326-S329 PolarHBondContact O-OG 3.38Å; H327-S329 PolarHBondContact O-N 2.94Å; S329-I333 WeakPolarHBondContact O-CB 3.45Å; S329-I333 WeakPolarHBondContact O-CD1 3.2Å; S329-I333 WeakPolarHBondContact O-CG1 3.33Å; S329-I333 PolarHBondContact O-N 2.86Å |
| 330 | Q | 96 | Very high | 91.8 | Very high | 101 Ų | 101 | 102.3 Ų | 102.3 | 47% | 0.472 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.3 | -35.1 | 169.7 | -80.9 | -174.3 | 34.6 | 0 | 0 | 112.7 | L326 H327 E328 I333 R334 | L326-Q330 WeakPolarHBondContact O-CB 3.42Å; L326-Q330 VanDerWaalsContact O-CG 3.25Å; L326-Q330 WeakPolarHBondContact O-CG 3.45Å; L326-Q330 PolarHBondContact O-N 3.44Å; L326-Q330 VanDerWaalsContact O-N 3.08Å; H327-Q330 PolarHBondContact O-N 2.89Å; E328-Q330 VanDerWaalsContact C-N 3.33Å; E328-Q330 PolarHBondContact O-N 3.09Å; Q330-I333 PolarHBondContact O-N 2.92Å; Q330-R334 WeakPolarHBondContact O-CB 3.32Å; Q330-R334 PolarHBondContact O-N 2.86Å |
| 331 | D | 94.6 | Very high | 89.1 | Confident | 69 Ų | 69 | 104 Ų | 104 | 37% | 0.369 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -78.3 | -35.5 | 178.7 | -77.6 | 8.1 | 0 | 0 | 0 | 111.6 | H327 E328 R334 D335 | H327-D331 WeakPolarHBondContact O-CB 3.45Å; H327-D331 PolarHBondContact O-N 3.29Å; E328-D331 CarbonylContact O-C 3.56Å; E328-D331 PolarHBondContact O-N 2.7Å; D331-R334 WeakPolarHBondContact O-CB 3.33Å; D331-R334 PolarHBondContact O-N 3.4Å; D331-R334 IonicContact OD1-CZ 2.66Å; D331-R334 IonicContact OD1-NE 2.85Å; D331-R334 PolarHBondContact OD1-NE 3.16Å; D331-R334 IonicContact OD1-NH1 3.86Å; D331-R334 PolarHBondContact OD1-NH1 2.91Å; D331-R334 IonicContact OD1-NH2 3.46Å; D331-R334 PolarHBondContact OD1-NH2 3.4Å; D331-R334 IonicContact OD2-NH1 2.6Å; D331-D335 WeakPolarHBondContact O-CB 3.46Å; D331-D335 PolarHBondContact O-N 3.04Å |
| 332 | E | 94.2 | Very high | 86.9 | Confident | 132 Ų | 132 | 104.3 Ų | 104.3 | 62% | 0.617 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -57.5 | -47.1 | 164.5 | -71.9 | -171.1 | 154.3 | 0 | 0 | 111.4 | E328 R334 D335 L336 | E328-E332 WeakPolarHBondContact O-CG 3.34Å; E328-E332 PolarHBondContact O-N 2.89Å; E332-R334 VanDerWaalsContact C-N 3.29Å; E332-R334 PolarHBondContact O-N 3.36Å; E332-D335 PolarHBondContact O-N 3.46Å; E332-L336 WeakPolarHBondContact O-CB 3.43Å; E332-L336 VanDerWaalsContact O-CG 3.25Å; E332-L336 WeakPolarHBondContact O-CG 3.42Å; E332-L336 PolarHBondContact O-N 3.02Å |
| 333 | I | 92.5 | Very high | 84.4 | Confident | 78 Ų | 78 | 106.7 Ų | 106.7 | 40% | 0.4 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64 | -35 | 175.9 | -72.2 | 166.3 | 0 | 0 | 0 | 111.2 | S329 Q330 R337 | S329-I333 WeakPolarHBondContact O-CB 3.45Å; S329-I333 WeakPolarHBondContact O-CD1 3.2Å; S329-I333 WeakPolarHBondContact O-CG1 3.33Å; S329-I333 PolarHBondContact O-N 2.86Å; Q330-I333 PolarHBondContact O-N 2.92Å; I333-R337 VanDerWaalsContact CG2-CZ 3.49Å; I333-R337 WeakPolarHBondContact O-CB 3.44Å; I333-R337 WeakPolarHBondContact O-CD 3.38Å; I333-R337 WeakPolarHBondContact O-CG 3.46Å; I333-R337 PolarHBondContact O-N 3.35Å |
| 334 | R | 93.8 | Very high | 81.8 | Confident | 145 Ų | 145 | 109.3 Ų | 109.3 | 55% | 0.547 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.8 | -42.5 | 175.8 | -169.4 | -169.1 | -57.7 | 179.2 | 1.8 | 111.3 | Q330 D331 E332 R337 S338 | Q330-R334 WeakPolarHBondContact O-CB 3.32Å; Q330-R334 PolarHBondContact O-N 2.86Å; D331-R334 WeakPolarHBondContact O-CB 3.33Å; D331-R334 PolarHBondContact O-N 3.4Å; D331-R334 IonicContact OD1-CZ 2.66Å; D331-R334 IonicContact OD1-NE 2.85Å; D331-R334 PolarHBondContact OD1-NE 3.16Å; D331-R334 IonicContact OD1-NH1 3.86Å; D331-R334 PolarHBondContact OD1-NH1 2.91Å; D331-R334 IonicContact OD1-NH2 3.46Å; D331-R334 PolarHBondContact OD1-NH2 3.4Å; D331-R334 IonicContact OD2-NH1 2.6Å; E332-R334 VanDerWaalsContact C-N 3.29Å; E332-R334 PolarHBondContact O-N 3.36Å; R334-R337 PolarHBondContact O-N 3.01Å; R334-S338 PolarHBondContact O-N 3.25Å |
| 335 | D | 91.8 | Very high | 79 | Confident | 86 Ų | 86 | 106.5 Ų | 106.5 | 46% | 0.46 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -72 | -39 | 177.1 | -101.1 | 25.1 | 0 | 0 | 0 | 112.3 | D331 E332 R337 S338 R339 | D331-D335 WeakPolarHBondContact O-CB 3.46Å; D331-D335 PolarHBondContact O-N 3.04Å; E332-D335 PolarHBondContact O-N 3.46Å; D335-R337 VanDerWaalsContact C-N 3.3Å; D335-R337 PolarHBondContact O-N 3.37Å; D335-S338 PolarHBondContact O-N 2.99Å; D335-S338 PolarHBondContact O-OG 2.96Å; D335-R339 VanDerWaalsContact O-CB 3.27Å; D335-R339 WeakPolarHBondContact O-CB 3.49Å; D335-R339 WeakPolarHBondContact O-CD 3.42Å; D335-R339 WeakPolarHBondContact O-CG 3.32Å; D335-R339 PolarHBondContact O-N 3.46Å |
| 336 | L | 88.9 | Confident | 76.4 | Confident | 114 Ų | 114 | 109.4 Ų | 109.4 | 60% | 0.597 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.1 | -40.2 | 170.1 | -73 | 171 | 0 | 0 | 0 | 110.9 | E332 S340 | E332-L336 WeakPolarHBondContact O-CB 3.43Å; E332-L336 VanDerWaalsContact O-CG 3.25Å; E332-L336 WeakPolarHBondContact O-CG 3.42Å; E332-L336 PolarHBondContact O-N 3.02Å; L336-S340 WeakPolarHBondContact O-CB 3.24Å; L336-S340 PolarHBondContact O-N 2.9Å; L336-S340 PolarHBondContact O-OG 2.92Å |
| 337 | R | 86.5 | Confident | 73.5 | Confident | 177 Ų | 177 | 114.5 Ų | 114.5 | 67% | 0.668 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.7 | -40.3 | 173.9 | -75.6 | 169.8 | -176 | 171.2 | 5.4 | 113.1 | I333 R334 D335 R339 S340 S341 | I333-R337 VanDerWaalsContact CG2-CZ 3.49Å; I333-R337 WeakPolarHBondContact O-CB 3.44Å; I333-R337 WeakPolarHBondContact O-CD 3.38Å; I333-R337 WeakPolarHBondContact O-CG 3.46Å; I333-R337 PolarHBondContact O-N 3.35Å; R334-R337 PolarHBondContact O-N 3.01Å; D335-R337 VanDerWaalsContact C-N 3.3Å; D335-R337 PolarHBondContact O-N 3.37Å; R337-R339 VanDerWaalsContact C-N 3.31Å; R337-R339 PolarHBondContact O-N 3.4Å; R337-S340 WeakPolarHBondContact CA-OG 3.31Å; R337-S340 PolarHBondContact O-N 3.43Å; R337-S341 PolarHBondContact O-N 3.44Å |
| 338 | S | 79.6 | Confident | 70.6 | Confident | 78 Ų | 78 | 119.6 Ų | 119.6 | 55% | 0.545 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.8 | -37 | 177.2 | 77.2 | 0 | 0 | 0 | 0 | 111.4 | R334 D335 | R334-S338 PolarHBondContact O-N 3.25Å; D335-S338 PolarHBondContact O-N 2.99Å; D335-S338 PolarHBondContact O-OG 2.96Å |
| 339 | R | 77.1 | Confident | 68 | Low | 199 Ų | 199 | 122 Ų | 122 | 75% | 0.751 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -75.9 | -25.6 | 175.2 | -68.8 | 166.6 | 178.9 | -90.1 | 1.7 | 114.6 | D335 R337 | D335-R339 VanDerWaalsContact O-CB 3.27Å; D335-R339 WeakPolarHBondContact O-CB 3.49Å; D335-R339 WeakPolarHBondContact O-CD 3.42Å; D335-R339 WeakPolarHBondContact O-CG 3.32Å; D335-R339 PolarHBondContact O-N 3.46Å; R337-R339 VanDerWaalsContact C-N 3.31Å; R337-R339 PolarHBondContact O-N 3.4Å |
| 340 | S | 60.3 | Low | 65.3 | Low | 81 Ų | 81 | 127.7 Ų | 127.7 | 57% | 0.566 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -101.2 | 4.7 | -177 | 59.7 | 0 | 0 | 0 | 0 | 114.8 | L336 R337 P342 | L336-S340 WeakPolarHBondContact O-CB 3.24Å; L336-S340 PolarHBondContact O-N 2.9Å; L336-S340 PolarHBondContact O-OG 2.92Å; R337-S340 WeakPolarHBondContact CA-OG 3.31Å; R337-S340 PolarHBondContact O-N 3.43Å; S340-P342 WeakPolarHBondContact O-CD 3.46Å; S340-P342 WeakPolarHBondContact O-CG 3.39Å |
| 341 | S | 41.8 | Very low | 62.7 | Low | 95 Ų | 95 | 127.2 Ų | 127.2 | 66% | 0.664 | 66% | 0.664 | S | S | * | * | trans | -70.6 | 110 | 174.1 | -173.3 | 0 | 0 | 0 | 0 | 111.8 | R337 | R337-S341 PolarHBondContact O-N 3.44Š| ||
| 342 | P | 51.7 | Low | 60.3 | Low | 115 Ų | 115 | 135.6 Ų | 135.6 | 75% | 0.747 | 69% | 0.692 | S | S | * | * | trans | -97.3 | 167.8 | -179.1 | 5.9 | 17.3 | 0 | 0 | 0 | 111.7 | S340 S344 | S340-P342 WeakPolarHBondContact O-CD 3.46Å; S340-P342 WeakPolarHBondContact O-CG 3.39Å; P342-S344 PolarHBondContact O-N 2.93Å; P342-S344 VanDerWaalsContact O-N 3.15Å | ||
| 343 | S | 44.8 | Very low | 57.6 | Low | 123 Ų | 123 | 132.5 Ų | 132.5 | 86% | 0.86 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -62.9 | 115.4 | 174.7 | -172.3 | 0 | 0 | 0 | 0 | 112.3 | ||
| 344 | S | 42.9 | Very low | 55.2 | Low | 118 Ų | 118 | 137.2 Ų | 137.2 | 83% | 0.825 | 72% | 0.721 | S | S | * | * | trans | 38.3 | 121.1 | 147.6 | -163.3 | 0 | 0 | 0 | 0 | 120.2 | P342 | P342-S344 PolarHBondContact O-N 2.93Å; P342-S344 VanDerWaalsContact O-N 3.15Å | ||
| 345 | G | 39.6 | Very low | 52.9 | Low | 68 Ų | 68 | 139.9 Ų | 139.9 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | trans | 146.5 | 98 | 138.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 346 | M | 41.6 | Very low | 51 | Low | 169 Ų | 169 | 141.5 Ų | 141.5 | 83% | 0.833 | 75% | 0.752 | S | S | * | * | trans | 75.5 | 133.7 | 131 | -167.5 | 59.3 | 71.2 | 0 | 0 | 122.1 | ||||
| 347 | R | 36 | Very low | 49.4 | Very low | 189 Ų | 189 | 144.5 Ų | 144.5 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | trans | 85.3 | 110.9 | 154.3 | -100.4 | -159.1 | -74.9 | -114.3 | 5.1 | 122.4 | ||||
| 348 | R | 38.1 | Very low | 48 | Very low | 208 Ų | 208 | 145.1 Ų | 145.1 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | 56.6 | 107.3 | 131.2 | -72.4 | -166.3 | -50.8 | -164.8 | 5.3 | 120.9 | ||||
| 349 | H | 39.7 | Very low | 47.1 | Very low | 168 Ų | 168 | 145.1 Ų | 145.1 | 78% | 0.778 | 78% | 0.776 | S | S | * | * | 67.9 | 103 | 109.6 | -161.9 | -62.9 | 0 | 0 | 0 | 119.1 | |||||
| 350 | L | 39.2 | Very low | 46.3 | Very low | 169 Ų | 169 | 141.3 Ų | 141.3 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | trans | -155.9 | 156.1 | 139.6 | -107.9 | 168.9 | 0 | 0 | 0 | 109.6 | ||||
| 351 | S | 42.6 | Very low | 46.5 | Very low | 90 Ų | 90 | 140.6 Ų | 140.6 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | trans | -134.1 | 145 | -175.7 | -56.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 352 | Y | 43.4 | Very low | 47.7 | Very low | 245 Ų | 245 | 138.6 Ų | 138.6 | 96% | 0.961 | 76% | 0.758 | S | S | * | * | trans | 57.6 | 119.2 | 172.2 | -87.2 | -96.7 | 0 | 0 | 0 | 117.4 | ||||
| 353 | G | 36.8 | Very low | 48.5 | Very low | 68 Ų | 68 | 139.9 Ų | 139.9 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | trans | 164.7 | 111.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 354 | L | 42.8 | Very low | 49.5 | Very low | 177 Ų | 177 | 138.5 Ų | 138.5 | 93% | 0.927 | 74% | 0.736 | S | S | * | * | trans | 50.6 | 118.6 | 147.4 | -59.1 | 164.7 | 0 | 0 | 0 | 119.1 | ||||
| 355 | F | 46.8 | Very low | 50.5 | Low | 200 Ų | 200 | 137.4 Ų | 137.4 | 88% | 0.877 | 72% | 0.718 | S | S | * | * | trans | -64.6 | 144.8 | 155.4 | -80.1 | -95.3 | 0 | 0 | 0 | 109.9 | M357 | F355-M357 PolarHBondContact O-N 2.99Š| ||
| 356 | P | 50.1 | Low | 51.6 | Low | 120 Ų | 120 | 135.5 Ų | 135.5 | 78% | 0.779 | 70% | 0.698 | S | S | * | * | trans | -63.7 | 104.9 | 176.1 | -23.1 | 34.7 | 0 | 0 | 0 | 112.1 | E358 | P356-E358 PolarHBondContact O-N 3.29Š| ||
| 357 | M | 55.3 | Low | 52.8 | Low | 178 Ų | 178 | 129.8 Ų | 129.8 | 88% | 0.877 | 68% | 0.675 | S | S | * | * | trans | -86.9 | 26.2 | -178.7 | -163.2 | 167.8 | 169.5 | 0 | 0 | 112.8 | F355 | F355-M357 PolarHBondContact O-N 2.99Š| ||
| 358 | E | 58.2 | Low | 53.9 | Low | 189 Ų | 189 | 126.4 Ų | 126.4 | 88% | 0.883 | 67% | 0.668 | S | S | * | * | trans | -131.9 | 80.3 | 179.6 | -67.6 | -171.9 | 164.1 | 0 | 0 | 109.5 | P356 | P356-E358 PolarHBondContact O-N 3.29Š| ||
| 359 | S | 61.1 | Low | 55 | Low | 78 Ų | 78 | 124.6 Ų | 124.6 | 55% | 0.545 | 66% | 0.661 | S | S | . | * | trans | -150.8 | 137.1 | 171.6 | 179.6 | 0 | 0 | 0 | 0 | 109.3 | A361 A362 | S359-A361 PolarHBondContact O-N 2.91Å; S359-A362 PolarHBondContact O-N 2.9Å | ||
| 360 | L | 60.5 | Low | 56 | Low | 120 Ų | 120 | 124 Ų | 124 | 63% | 0.628 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -54.5 | -29.4 | -173.1 | -169.3 | 69.1 | 0 | 0 | 0 | 113.3 | A362 E363 I364 | L360-A362 PolarHBondContact O-N 3.44Å; L360-E363 PolarHBondContact O-N 3.23Å; L360-I364 HydrophobicContact CG-CD1 4.12Å; L360-I364 WeakPolarHBondContact O-CG1 3.44Å; L360-I364 PolarHBondContact O-N 2.63Å; L360-I364 VanDerWaalsContact O-N 3.14Å |
| 361 | A | 62.9 | Low | 56.9 | Low | 65 Ų | 65 | 122.9 Ų | 122.9 | 54% | 0.537 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -61.6 | -39.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | S359 E363 I364 E365 | S359-A361 PolarHBondContact O-N 2.91Å; A361-E363 VanDerWaalsContact C-N 3.32Å; A361-E363 PolarHBondContact O-N 2.85Å; A361-I364 PolarHBondContact O-N 2.7Å; A361-E365 VanDerWaalsContact O-CB 3.25Å; A361-E365 WeakPolarHBondContact O-CB 3.48Å; A361-E365 PolarHBondContact O-N 3.02Å |
| 362 | A | 67 | Low | 57.5 | Low | 54 Ų | 54 | 124.4 Ų | 124.4 | 45% | 0.446 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -72.4 | -26.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S359 L360 G366 | S359-A362 PolarHBondContact O-N 2.9Å; L360-A362 PolarHBondContact O-N 3.44Å; A362-G366 WeakPolarHBondContact O-CA 3.33Å; A362-G366 PolarHBondContact O-N 2.88Å |
| 363 | E | 69.3 | Low | 58.2 | Low | 141 Ų | 141 | 115.3 Ų | 115.3 | 66% | 0.659 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -73.4 | -45.8 | 173.4 | -173.5 | 175.1 | -171.4 | 0 | 0 | 111.3 | L360 A361 G366 S367 | L360-E363 PolarHBondContact O-N 3.23Å; A361-E363 VanDerWaalsContact C-N 3.32Å; A361-E363 PolarHBondContact O-N 2.85Å; E363-G366 CarbonylContact O-C 3.58Å; E363-G366 PolarHBondContact O-N 3.29Å; E363-S367 PolarHBondContact O-N 3.37Å |
| 364 | I | 66.3 | Low | 59.2 | Low | 95 Ų | 95 | 117.7 Ų | 117.7 | 49% | 0.487 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -62 | -48.2 | 175.5 | -65.9 | 166.6 | 0 | 0 | 0 | 110.4 | L360 A361 G366 S367 M368 | L360-I364 HydrophobicContact CG-CD1 4.12Å; L360-I364 WeakPolarHBondContact O-CG1 3.44Å; L360-I364 PolarHBondContact O-N 2.63Å; L360-I364 VanDerWaalsContact O-N 3.14Å; A361-I364 PolarHBondContact O-N 2.7Å; I364-G366 VanDerWaalsContact C-N 3.33Å; I364-G366 PolarHBondContact O-N 3.45Å; I364-S367 PolarHBondContact O-N 2.94Å; I364-S367 VanDerWaalsContact O-N 3.15Å; I364-M368 HydrophobicContact CG2-SD 4.34Å; I364-M368 PolarHBondContact O-N 2.91Å |
| 365 | E | 62.7 | Low | 60 | Low | 95 Ų | 95 | 115.2 Ų | 115.2 | 44% | 0.444 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -61.5 | -41.6 | 175.7 | -171.1 | -176.9 | 169.8 | 0 | 0 | 111.6 | A361 S367 M368 R369 | A361-E365 VanDerWaalsContact O-CB 3.25Å; A361-E365 WeakPolarHBondContact O-CB 3.48Å; A361-E365 PolarHBondContact O-N 3.02Å; E365-S367 VanDerWaalsContact C-N 3.26Å; E365-S367 PolarHBondContact O-N 3.32Å; E365-M368 PolarHBondContact O-N 3.17Å; E365-R369 HydrophobicContact CG-CG 4.44Å; E365-R369 WeakPolarHBondContact O-CB 3.44Å; E365-R369 VanDerWaalsContact O-CG 3.27Å; E365-R369 WeakPolarHBondContact O-CG 3.36Å; E365-R369 PolarHBondContact O-N 2.87Å; E365-R369 IonicContact OE1-CZ 2.83Å; E365-R369 IonicContact OE1-NE 3.23Å; E365-R369 PolarHBondContact OE1-NE 3.41Å; E365-R369 IonicContact OE1-NH2 3.9Å; E365-R369 PolarHBondContact OE1-NH2 2.93Å |
| 366 | G | 63.3 | Low | 60.7 | Low | 27 Ų | 27 | 111.4 Ų | 111.4 | 28% | 0.278 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.8 | -21.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | A362 E363 I364 R370 | A362-G366 WeakPolarHBondContact O-CA 3.33Å; A362-G366 PolarHBondContact O-N 2.88Å; E363-G366 CarbonylContact O-C 3.58Å; E363-G366 PolarHBondContact O-N 3.29Å; I364-G366 VanDerWaalsContact C-N 3.33Å; I364-G366 PolarHBondContact O-N 3.45Å; G366-R370 PolarHBondContact O-NH2 3.39Å |
| 367 | S | 66.6 | Low | 61.1 | Low | 50 Ų | 50 | 112.5 Ų | 112.5 | 35% | 0.35 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -82.1 | -51 | 171.4 | -157 | 0 | 0 | 0 | 0 | 111.2 | E363 I364 E365 R369 R370 E371 | E363-S367 PolarHBondContact O-N 3.37Å; I364-S367 PolarHBondContact O-N 2.94Å; I364-S367 VanDerWaalsContact O-N 3.15Å; E365-S367 VanDerWaalsContact C-N 3.26Å; E365-S367 PolarHBondContact O-N 3.32Å; S367-R369 VanDerWaalsContact C-N 3.3Å; S367-R369 PolarHBondContact O-N 3.08Å; S367-R370 WeakPolarHBondContact O-CB 3.47Å; S367-R370 PolarHBondContact O-N 3.49Å; S367-E371 PolarHBondContact O-N 2.85Å |
| 368 | M | 59.4 | Low | 61.3 | Low | 118 Ų | 118 | 108.1 Ų | 108.1 | 58% | 0.581 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.8 | -38.6 | 180 | -68.1 | -178.3 | 70.2 | 0 | 0 | 112.4 | I364 E365 R370 L372 | I364-M368 HydrophobicContact CG2-SD 4.34Å; I364-M368 PolarHBondContact O-N 2.91Å; E365-M368 PolarHBondContact O-N 3.17Å; M368-R370 PolarHBondContact O-N 3.38Å; M368-L372 WeakPolarHBondContact O-CG 3.4Å; M368-L372 PolarHBondContact O-N 3.46Å |
| 369 | R | 61 | Low | 61.6 | Low | 169 Ų | 169 | 102 Ų | 102 | 64% | 0.638 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.6 | -21.4 | 175.1 | -71.1 | 179.6 | -177.5 | -70.4 | 0.8 | 113.7 | E365 S367 S373 | E365-R369 HydrophobicContact CG-CG 4.44Å; E365-R369 WeakPolarHBondContact O-CB 3.44Å; E365-R369 VanDerWaalsContact O-CG 3.27Å; E365-R369 WeakPolarHBondContact O-CG 3.36Å; E365-R369 PolarHBondContact O-N 2.87Å; E365-R369 IonicContact OE1-CZ 2.83Å; E365-R369 IonicContact OE1-NE 3.23Å; E365-R369 PolarHBondContact OE1-NE 3.41Å; E365-R369 IonicContact OE1-NH2 3.9Å; E365-R369 PolarHBondContact OE1-NH2 2.93Å; S367-R369 VanDerWaalsContact C-N 3.3Å; S367-R369 PolarHBondContact O-N 3.08Å; R369-S373 WeakPolarHBondContact O-CB 3.48Å; R369-S373 PolarHBondContact O-N 3.23Å; R369-S373 PolarHBondContact O-OG 3.09Å |
| 370 | R | 61.3 | Low | 61.7 | Low | 156 Ų | 156 | 104.1 Ų | 104.1 | 59% | 0.589 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -89.5 | -32.8 | -178.9 | -164.7 | -174.8 | -57.4 | 118.9 | 4.5 | 112.9 | G366 S367 M368 S373 | G366-R370 PolarHBondContact O-NH2 3.39Å; S367-R370 WeakPolarHBondContact O-CB 3.47Å; S367-R370 PolarHBondContact O-N 3.49Å; M368-R370 PolarHBondContact O-N 3.38Å; R370-S373 PolarHBondContact O-OG 3.05Å |
| 371 | E | 57.8 | Low | 62 | Low | 146 Ų | 146 | 103 Ų | 103 | 68% | 0.682 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -72.5 | -38.9 | 175.1 | -68 | -178.6 | 159.4 | 0 | 0 | 111.2 | S367 | S367-E371 PolarHBondContact O-N 2.85Å |
| 372 | L | 56 | Low | 62.3 | Low | 122 Ų | 122 | 104.4 Ų | 104.4 | 64% | 0.639 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70 | -37.4 | 176.3 | -67.6 | 172.5 | 0 | 0 | 0 | 113.5 | M368 I374 D375 E376 | M368-L372 WeakPolarHBondContact O-CG 3.4Å; M368-L372 PolarHBondContact O-N 3.46Å; L372-I374 VanDerWaalsContact C-N 3.3Å; L372-I374 PolarHBondContact O-N 2.9Å; L372-D375 PolarHBondContact O-N 3.42Å; L372-E376 WeakPolarHBondContact O-CB 3.26Å; L372-E376 PolarHBondContact O-N 3.48Å |
| 373 | S | 57.3 | Low | 62.4 | Low | 54 Ų | 54 | 107.2 Ų | 107.2 | 38% | 0.378 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.7 | -23.9 | -175.4 | 72.5 | 0 | 0 | 0 | 0 | 114.2 | R369 R370 E377 | R369-S373 WeakPolarHBondContact O-CB 3.48Å; R369-S373 PolarHBondContact O-N 3.23Å; R369-S373 PolarHBondContact O-OG 3.09Å; R370-S373 PolarHBondContact O-OG 3.05Å; S373-E377 VanDerWaalsContact O-CB 3.28Å; S373-E377 WeakPolarHBondContact O-CB 3.32Å; S373-E377 PolarHBondContact O-N 2.89Å |
| 374 | I | 58.4 | Low | 62.6 | Low | 117 Ų | 117 | 107.9 Ų | 107.9 | 60% | 0.6 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -73.7 | -39.7 | 177.6 | -82.8 | 173.5 | 0 | 0 | 0 | 111.5 | L372 T378 | L372-I374 VanDerWaalsContact C-N 3.3Å; L372-I374 PolarHBondContact O-N 2.9Å; I374-T378 WeakPolarHBondContact O-CG2 3.33Å; I374-T378 PolarHBondContact O-N 3.36Å; I374-T378 PolarHBondContact O-OG1 3.31Å |
| 375 | D | 59.7 | Low | 63 | Low | 125 Ų | 125 | 107 Ų | 107 | 67% | 0.668 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -72 | -40.5 | 176.4 | -150.2 | 46.1 | 0 | 0 | 0 | 110.4 | L372 T378 A379 | L372-D375 PolarHBondContact O-N 3.42Å; D375-T378 PolarHBondContact O-OG1 3.29Å; D375-T378 VanDerWaalsContact O-OG1 3.07Å; D375-A379 VanDerWaalsContact O-CB 3.31Å; D375-A379 WeakPolarHBondContact O-CB 3.39Å; D375-A379 PolarHBondContact O-N 3.29Å |
| 376 | E | 60.4 | Low | 63.5 | Low | 121 Ų | 121 | 104.7 Ų | 104.7 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.6 | -44.3 | 176.2 | -170 | 166.8 | -142.5 | 0 | 0 | 113 | L372 T378 A379 F380 | L372-E376 WeakPolarHBondContact O-CB 3.26Å; L372-E376 PolarHBondContact O-N 3.48Å; E376-T378 PolarHBondContact O-N 3Å; E376-A379 PolarHBondContact O-N 2.91Å; E376-F380 HydrophobicContact CG-CD2 3.81Å; E376-F380 HydrophobicContact CG-CE2 3.8Å; E376-F380 WeakPolarHBondContact O-CD2 3.32Å; E376-F380 PolarHBondContact O-N 2.9Å |
| 377 | E | 58.4 | Low | 63.9 | Low | 143 Ų | 143 | 107.4 Ų | 107.4 | 67% | 0.668 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.5 | -33.2 | 179.2 | -173.6 | 164.6 | -162.3 | 0 | 0 | 112.6 | S373 Q381 | S373-E377 VanDerWaalsContact O-CB 3.28Å; S373-E377 WeakPolarHBondContact O-CB 3.32Å; S373-E377 PolarHBondContact O-N 2.89Å; E377-Q381 WeakPolarHBondContact O-CB 3.46Å; E377-Q381 PolarHBondContact O-N 3.11Å |
| 378 | T | 60.2 | Low | 64.5 | Low | 85 Ų | 85 | 111.1 Ų | 111.1 | 52% | 0.521 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -70.3 | -40.8 | 172.9 | 50.4 | 0 | 0 | 0 | 0 | 112.1 | I374 D375 E376 Q381 D382 | I374-T378 WeakPolarHBondContact O-CG2 3.33Å; I374-T378 PolarHBondContact O-N 3.36Å; I374-T378 PolarHBondContact O-OG1 3.31Å; D375-T378 PolarHBondContact O-OG1 3.29Å; D375-T378 VanDerWaalsContact O-OG1 3.07Å; E376-T378 PolarHBondContact O-N 3Å; T378-Q381 PolarHBondContact O-N 3.41Å; T378-D382 PolarHBondContact O-N 3Å |
| 379 | A | 65.2 | Low | 65.4 | Low | 60 Ų | 60 | 112.6 Ų | 112.6 | 50% | 0.496 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D375 E376 Q381 D382 Q383 | D375-A379 VanDerWaalsContact O-CB 3.31Å; D375-A379 WeakPolarHBondContact O-CB 3.39Å; D375-A379 PolarHBondContact O-N 3.29Å; E376-A379 PolarHBondContact O-N 2.91Å; A379-Q381 VanDerWaalsContact C-N 3.32Å; A379-Q381 PolarHBondContact O-N 3.16Å; A379-D382 PolarHBondContact O-N 2.98Å; A379-Q383 VanDerWaalsContact O-CB 3.31Å; A379-Q383 WeakPolarHBondContact O-CB 3.48Å; A379-Q383 PolarHBondContact O-N 2.84Å |
| 380 | F | 63.2 | Low | 66.2 | Low | 124 Ų | 124 | 108.8 Ų | 108.8 | 54% | 0.544 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 174.5 | -93.4 | -70.1 | 0 | 0 | 0 | 112.3 | E376 R384 | E376-F380 HydrophobicContact CG-CD2 3.81Å; E376-F380 HydrophobicContact CG-CE2 3.8Å; E376-F380 WeakPolarHBondContact O-CD2 3.32Å; E376-F380 PolarHBondContact O-N 2.9Å; F380-R384 VanDerWaalsContact O-CB 3.23Å; F380-R384 WeakPolarHBondContact O-CB 3.45Å; F380-R384 PolarHBondContact O-N 3.49Å |
| 381 | Q | 65.6 | Low | 67.1 | Low | 97 Ų | 97 | 107.3 Ų | 107.3 | 45% | 0.453 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68 | -42 | 179.1 | -161.4 | 78.8 | -77 | 0 | 0 | 111.9 | E377 T378 A379 R384 I385 | E377-Q381 WeakPolarHBondContact O-CB 3.46Å; E377-Q381 PolarHBondContact O-N 3.11Å; T378-Q381 PolarHBondContact O-N 3.41Å; A379-Q381 VanDerWaalsContact C-N 3.32Å; A379-Q381 PolarHBondContact O-N 3.16Å; Q381-R384 CarbonylContact O-C 3.58Å; Q381-R384 WeakPolarHBondContact O-CB 3.44Å; Q381-R384 PolarHBondContact O-N 3.31Å; Q381-I385 HydrophobicContact CG-CD1 4.4Å; Q381-I385 VanDerWaalsContact O-CG1 3.32Å; Q381-I385 WeakPolarHBondContact O-CG1 3.42Å; Q381-I385 PolarHBondContact O-N 2.88Å |
| 382 | D | 68.6 | Low | 68 | Low | 94 Ų | 94 | 107 Ų | 107 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -76.5 | -29.9 | 177.9 | -160.1 | 44.5 | 0 | 0 | 0 | 112.9 | T378 A379 R384 I385 S386 | T378-D382 PolarHBondContact O-N 3Å; A379-D382 PolarHBondContact O-N 2.98Å; D382-R384 VanDerWaalsContact C-N 3.27Å; D382-R384 PolarHBondContact O-N 2.9Å; D382-I385 PolarHBondContact O-N 3.49Å; D382-S386 WeakPolarHBondContact O-CB 3.39Å; D382-S386 PolarHBondContact O-N 2.97Å; D382-S386 PolarHBondContact O-OG 3.35Å |
| 383 | Q | 69.3 | Low | 69 | Low | 113 Ų | 113 | 105 Ų | 105 | 53% | 0.528 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.2 | -38.8 | 165.7 | -165.6 | -175.6 | 82.1 | 0 | 0 | 110.9 | A379 S386 L387 | A379-Q383 VanDerWaalsContact O-CB 3.31Å; A379-Q383 WeakPolarHBondContact O-CB 3.48Å; A379-Q383 PolarHBondContact O-N 2.84Å; Q383-S386 WeakPolarHBondContact CA-OG 3.39Å; Q383-S386 PolarHBondContact O-OG 2.86Å; Q383-L387 HydrophobicContact CG-CD1 4.21Å; Q383-L387 VanDerWaalsContact O-CB 3.25Å; Q383-L387 WeakPolarHBondContact O-CB 3.49Å; Q383-L387 WeakPolarHBondContact O-CD1 3.44Å; Q383-L387 VanDerWaalsContact O-CG 3.28Å; Q383-L387 WeakPolarHBondContact O-CG 3.41Å; Q383-L387 PolarHBondContact O-N 3.35Å |
| 384 | R | 73.9 | Confident | 69.9 | Low | 155 Ų | 155 | 106.5 Ų | 106.5 | 59% | 0.585 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -71.9 | -29.9 | 176 | -162.1 | 177.3 | -166.8 | -176.3 | 7.5 | 112.9 | F380 Q381 D382 K388 | F380-R384 VanDerWaalsContact O-CB 3.23Å; F380-R384 WeakPolarHBondContact O-CB 3.45Å; F380-R384 PolarHBondContact O-N 3.49Å; Q381-R384 CarbonylContact O-C 3.58Å; Q381-R384 WeakPolarHBondContact O-CB 3.44Å; Q381-R384 PolarHBondContact O-N 3.31Å; D382-R384 VanDerWaalsContact C-N 3.27Å; D382-R384 PolarHBondContact O-N 2.9Å; R384-K388 WeakPolarHBondContact O-CB 3.43Å; R384-K388 WeakPolarHBondContact O-CD 3.44Å; R384-K388 VanDerWaalsContact O-CG 3.22Å; R384-K388 WeakPolarHBondContact O-CG 3.3Å; R384-K388 PolarHBondContact O-N 2.84Å; R384-K388 VanDerWaalsContact O-N 3.09Å |
| 385 | I | 75.4 | Confident | 70.8 | Confident | 75 Ų | 75 | 109.4 Ų | 109.4 | 39% | 0.385 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -73.7 | -45.2 | 173.1 | -71.5 | 164 | 0 | 0 | 0 | 110.8 | Q381 D382 K388 R389 | Q381-I385 HydrophobicContact CG-CD1 4.4Å; Q381-I385 VanDerWaalsContact O-CG1 3.32Å; Q381-I385 WeakPolarHBondContact O-CG1 3.42Å; Q381-I385 PolarHBondContact O-N 2.88Å; D382-I385 PolarHBondContact O-N 3.49Å; I385-K388 WeakPolarHBondContact O-CB 3.34Å; I385-K388 PolarHBondContact O-N 2.92Å; I385-R389 WeakPolarHBondContact O-CB 3.42Å; I385-R389 PolarHBondContact O-N 3.18Å |
| 386 | S | 71.8 | Confident | 71.5 | Confident | 48 Ų | 48 | 106.8 Ų | 106.8 | 34% | 0.336 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.1 | -42.1 | 176.4 | 54.7 | 0 | 0 | 0 | 0 | 111.9 | D382 Q383 K388 R389 V390 | D382-S386 WeakPolarHBondContact O-CB 3.39Å; D382-S386 PolarHBondContact O-N 2.97Å; D382-S386 PolarHBondContact O-OG 3.35Å; Q383-S386 WeakPolarHBondContact CA-OG 3.39Å; Q383-S386 PolarHBondContact O-OG 2.86Å; S386-K388 PolarHBondContact O-N 3.25Å; S386-R389 CarbonylContact O-C 3.56Å; S386-R389 WeakPolarHBondContact O-CB 3.28Å; S386-R389 PolarHBondContact O-N 3.29Å; S386-R389 VanDerWaalsContact O-N 3.12Å; S386-V390 WeakPolarHBondContact O-CG2 3.44Å; S386-V390 PolarHBondContact O-N 3.16Å |
| 387 | L | 73.4 | Confident | 72.1 | Confident | 83 Ų | 83 | 105.2 Ų | 105.2 | 44% | 0.435 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58 | -46.2 | 169.7 | -79.8 | 165.8 | 0 | 0 | 0 | 111.9 | Q383 R389 V390 F391 | Q383-L387 HydrophobicContact CG-CD1 4.21Å; Q383-L387 VanDerWaalsContact O-CB 3.25Å; Q383-L387 WeakPolarHBondContact O-CB 3.49Å; Q383-L387 WeakPolarHBondContact O-CD1 3.44Å; Q383-L387 VanDerWaalsContact O-CG 3.28Å; Q383-L387 WeakPolarHBondContact O-CG 3.41Å; Q383-L387 PolarHBondContact O-N 3.35Å; L387-R389 VanDerWaalsContact C-N 3.31Å; L387-R389 PolarHBondContact O-N 2.91Å; L387-V390 PolarHBondContact O-N 2.9Å; L387-F391 HydrophobicContact CD2-CE2 4.31Å; L387-F391 WeakPolarHBondContact O-CB 3.39Å; L387-F391 WeakPolarHBondContact O-CD2 3.31Å; L387-F391 PolarHBondContact O-N 2.66Å |
| 388 | K | 79.1 | Confident | 72.7 | Confident | 128 Ų | 128 | 103.1 Ų | 103.1 | 56% | 0.557 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.3 | -42.7 | 173.1 | -80.6 | 170.2 | -179.9 | 175.1 | 0 | 111.8 | R384 I385 S386 F391 Q392 | R384-K388 WeakPolarHBondContact O-CB 3.43Å; R384-K388 WeakPolarHBondContact O-CD 3.44Å; R384-K388 VanDerWaalsContact O-CG 3.22Å; R384-K388 WeakPolarHBondContact O-CG 3.3Å; R384-K388 PolarHBondContact O-N 2.84Å; R384-K388 VanDerWaalsContact O-N 3.09Å; I385-K388 WeakPolarHBondContact O-CB 3.34Å; I385-K388 PolarHBondContact O-N 2.92Å; S386-K388 PolarHBondContact O-N 3.25Å; K388-F391 PolarHBondContact O-N 3.2Å; K388-Q392 VanDerWaalsContact O-CB 3.27Å; K388-Q392 WeakPolarHBondContact O-CB 3.45Å; K388-Q392 PolarHBondContact O-N 2.86Å |
| 389 | R | 78.3 | Confident | 72.9 | Confident | 150 Ų | 150 | 101.3 Ų | 101.3 | 57% | 0.566 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.6 | -45.3 | 178.2 | -150.1 | -177 | -57.1 | 170 | 5.9 | 110.9 | I385 S386 L387 Q392 T393 | I385-R389 WeakPolarHBondContact O-CB 3.42Å; I385-R389 PolarHBondContact O-N 3.18Å; S386-R389 CarbonylContact O-C 3.56Å; S386-R389 WeakPolarHBondContact O-CB 3.28Å; S386-R389 PolarHBondContact O-N 3.29Å; S386-R389 VanDerWaalsContact O-N 3.12Å; L387-R389 VanDerWaalsContact C-N 3.31Å; L387-R389 PolarHBondContact O-N 2.91Å; R389-Q392 PolarHBondContact O-N 2.97Å; R389-T393 PolarHBondContact O-N 2.74Å; R389-T393 PolarHBondContact O-OG1 3.5Å; R389-T393 VanDerWaalsContact O-OG1 3.08Å |
| 390 | V | 77.3 | Confident | 72.7 | Confident | 88 Ų | 88 | 101.3 Ų | 101.3 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.9 | -48.8 | 173.8 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | S386 L387 Q392 T393 V394 | S386-V390 WeakPolarHBondContact O-CG2 3.44Å; S386-V390 PolarHBondContact O-N 3.16Å; L387-V390 PolarHBondContact O-N 2.9Å; V390-Q392 PolarHBondContact O-N 2.95Å; V390-T393 PolarHBondContact O-N 3.22Å; V390-V394 HydrophobicContact CG1-CG2 4.31Å; V390-V394 WeakPolarHBondContact O-CB 3.49Å; V390-V394 WeakPolarHBondContact O-CG2 3.31Å; V390-V394 PolarHBondContact O-N 2.92Å |
| 391 | F | 78.9 | Confident | 72.2 | Confident | 126 Ų | 126 | 98 Ų | 98 | 55% | 0.553 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.8 | -25.2 | 176.2 | -79.1 | -61.8 | 0 | 0 | 0 | 113.5 | L387 K388 R395 | L387-F391 HydrophobicContact CD2-CE2 4.31Å; L387-F391 WeakPolarHBondContact O-CB 3.39Å; L387-F391 WeakPolarHBondContact O-CD2 3.31Å; L387-F391 PolarHBondContact O-N 2.66Å; K388-F391 PolarHBondContact O-N 3.2Å; F391-R395 WeakPolarHBondContact O-CB 3.36Å; F391-R395 PolarHBondContact O-N 3.11Å; F391-R395 VanDerWaalsContact O-N 3.12Å |
| 392 | Q | 77.4 | Confident | 71.7 | Confident | 140 Ų | 140 | 96.9 Ų | 96.9 | 65% | 0.654 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -77.6 | -40.3 | 173.4 | -169.8 | 168.3 | -0.5 | 0 | 0 | 111.4 | K388 R389 V390 R395 S396 | K388-Q392 VanDerWaalsContact O-CB 3.27Å; K388-Q392 WeakPolarHBondContact O-CB 3.45Å; K388-Q392 PolarHBondContact O-N 2.86Å; R389-Q392 PolarHBondContact O-N 2.97Å; V390-Q392 PolarHBondContact O-N 2.95Å; Q392-R395 PolarHBondContact O-N 2.98Å; Q392-S396 PolarHBondContact O-N 3.27Å; Q392-S396 PolarHBondContact O-OG 2.73Å |
| 393 | T | 77.2 | Confident | 70.8 | Confident | 79 Ų | 79 | 101.7 Ų | 101.7 | 49% | 0.485 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.7 | -46.7 | 172.1 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | R389 V390 R395 S396 V397 | R389-T393 PolarHBondContact O-N 2.74Å; R389-T393 PolarHBondContact O-OG1 3.5Å; R389-T393 VanDerWaalsContact O-OG1 3.08Å; V390-T393 PolarHBondContact O-N 3.22Å; T393-R395 PolarHBondContact O-N 3.3Å; T393-S396 WeakPolarHBondContact CA-OG 3.47Å; T393-S396 PolarHBondContact O-N 2.77Å; T393-S396 PolarHBondContact O-OG 3.42Å; T393-V397 HydrophobicContact CG2-CG2 4.4Å; T393-V397 WeakPolarHBondContact O-CB 3.5Å; T393-V397 VanDerWaalsContact O-CG2 3.28Å; T393-V397 WeakPolarHBondContact O-CG2 3.28Å; T393-V397 PolarHBondContact O-N 3.36Å |
| 394 | V | 76.7 | Confident | 69.7 | Low | 85 Ų | 85 | 99.2 Ų | 99.2 | 52% | 0.515 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.9 | -38.3 | 174.1 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | V390 N398 | V390-V394 HydrophobicContact CG1-CG2 4.31Å; V390-V394 WeakPolarHBondContact O-CB 3.49Å; V390-V394 WeakPolarHBondContact O-CG2 3.31Å; V390-V394 PolarHBondContact O-N 2.92Å; V394-N398 WeakPolarHBondContact O-CB 3.25Å; V394-N398 PolarHBondContact O-N 3.02Å |
| 395 | R | 77.8 | Confident | 68.3 | Low | 179 Ų | 179 | 95.5 Ų | 95.5 | 68% | 0.675 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -71.9 | -33.9 | 177.9 | -167.3 | -178.1 | -50.1 | -118.7 | -1.7 | 113.1 | F391 Q392 T393 A399 | F391-R395 WeakPolarHBondContact O-CB 3.36Å; F391-R395 PolarHBondContact O-N 3.11Å; F391-R395 VanDerWaalsContact O-N 3.12Å; Q392-R395 PolarHBondContact O-N 2.98Å; T393-R395 PolarHBondContact O-N 3.3Å; R395-A399 WeakPolarHBondContact O-CB 3.35Å; R395-A399 PolarHBondContact O-N 2.83Å |
| 396 | S | 74.5 | Confident | 67.1 | Low | 69 Ų | 69 | 99.8 Ų | 99.8 | 48% | 0.483 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -76.9 | -36.4 | 174.5 | 60.3 | 0 | 0 | 0 | 0 | 112.7 | Q392 T393 A399 S400 | Q392-S396 PolarHBondContact O-N 3.27Å; Q392-S396 PolarHBondContact O-OG 2.73Å; T393-S396 WeakPolarHBondContact CA-OG 3.47Å; T393-S396 PolarHBondContact O-N 2.77Å; T393-S396 PolarHBondContact O-OG 3.42Å; S396-A399 CarbonylContact O-C 3.59Å; S396-A399 PolarHBondContact O-N 2.92Å; S396-S400 PolarHBondContact O-N 3.49Å; S396-S400 PolarHBondContact O-OG 3.03Å |
| 397 | V | 72.1 | Confident | 66.1 | Low | 89 Ų | 89 | 101.7 Ų | 101.7 | 54% | 0.539 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62 | -46.1 | 169 | 170.8 | 0 | 0 | 0 | 0 | 110.4 | T393 A399 S400 A401 | T393-V397 HydrophobicContact CG2-CG2 4.4Å; T393-V397 WeakPolarHBondContact O-CB 3.5Å; T393-V397 VanDerWaalsContact O-CG2 3.28Å; T393-V397 WeakPolarHBondContact O-CG2 3.28Å; T393-V397 PolarHBondContact O-N 3.36Å; V397-A399 PolarHBondContact O-N 3.38Å; V397-S400 WeakPolarHBondContact CA-OG 3.46Å; V397-S400 PolarHBondContact O-N 3.47Å; V397-S400 VanDerWaalsContact O-N 3.16Å; V397-S400 PolarHBondContact O-OG 3.27Å; V397-A401 PolarHBondContact O-N 2.8Å |
| 398 | N | 70.3 | Confident | 64.4 | Low | 99 Ų | 99 | 103 Ų | 103 | 53% | 0.529 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.7 | -39.9 | 176.1 | -160.4 | 7.7 | 0 | 0 | 0 | 111.5 | V394 S400 A401 S402 | V394-N398 WeakPolarHBondContact O-CB 3.25Å; V394-N398 PolarHBondContact O-N 3.02Å; N398-S400 PolarHBondContact O-N 2.92Å; N398-A401 PolarHBondContact O-N 2.9Å; N398-A401 VanDerWaalsContact O-N 3.16Å; N398-S402 PolarHBondContact O-N 2.91Å; N398-S402 PolarHBondContact O-OG 2.95Å |
| 399 | A | 65.2 | Low | 62.8 | Low | 46 Ų | 46 | 101.2 Ų | 101.2 | 38% | 0.38 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -72.1 | -5.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115 | R395 S396 V397 R403 | R395-A399 WeakPolarHBondContact O-CB 3.35Å; R395-A399 PolarHBondContact O-N 2.83Å; S396-A399 CarbonylContact O-C 3.59Å; S396-A399 PolarHBondContact O-N 2.92Å; V397-A399 PolarHBondContact O-N 3.38Å; A399-R403 PolarHBondContact O-NE 3.18Å; A399-R403 PolarHBondContact O-NH2 2.98Å; A399-R403 VanDerWaalsContact O-NH2 3.08Å |
| 400 | S | 60 | Low | 61 | Low | 61 Ų | 61 | 100.1 Ų | 100.1 | 43% | 0.427 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -96.1 | -38.3 | 164 | 39 | 0 | 0 | 0 | 0 | 111.1 | S396 V397 N398 S402 R403 A404 | S396-S400 PolarHBondContact O-N 3.49Å; S396-S400 PolarHBondContact O-OG 3.03Å; V397-S400 WeakPolarHBondContact CA-OG 3.46Å; V397-S400 PolarHBondContact O-N 3.47Å; V397-S400 VanDerWaalsContact O-N 3.16Å; V397-S400 PolarHBondContact O-OG 3.27Å; N398-S400 PolarHBondContact O-N 2.92Å; S400-S402 PolarHBondContact O-N 3.29Å; S400-R403 PolarHBondContact O-N 3.46Å; S400-A404 PolarHBondContact O-N 2.92Å |
| 401 | A | 54.3 | Low | 59.1 | Low | 54 Ų | 54 | 103.5 Ų | 103.5 | 45% | 0.446 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -58.1 | -45.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V397 N398 R403 A404 A405 | V397-A401 PolarHBondContact O-N 2.8Å; N398-A401 PolarHBondContact O-N 2.9Å; N398-A401 VanDerWaalsContact O-N 3.16Å; A401-R403 PolarHBondContact O-N 3.45Å; A401-A404 PolarHBondContact O-N 2.95Å; A401-A405 PolarHBondContact O-N 2.91Å; A401-A405 VanDerWaalsContact O-N 3.09Å |
| 402 | S | 53.6 | Low | 57.1 | Low | 74 Ų | 74 | 103.4 Ų | 103.4 | 52% | 0.517 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.6 | -19.7 | 175 | -49.5 | 0 | 0 | 0 | 0 | 113.7 | N398 S400 | N398-S402 PolarHBondContact O-N 2.91Å; N398-S402 PolarHBondContact O-OG 2.95Å; S400-S402 PolarHBondContact O-N 3.29Å |
| 403 | R | 50.8 | Low | 55.3 | Low | 194 Ų | 194 | 100.8 Ų | 100.8 | 73% | 0.732 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -87.2 | -25.6 | 172.5 | -90.8 | -179.4 | -72.6 | 168.6 | -2.4 | 113.2 | A399 S400 A401 | A399-R403 PolarHBondContact O-NE 3.18Å; A399-R403 PolarHBondContact O-NH2 2.98Å; A399-R403 VanDerWaalsContact O-NH2 3.08Å; S400-R403 PolarHBondContact O-N 3.46Å; A401-R403 PolarHBondContact O-N 3.45Å |
| 404 | A | 46.4 | Very low | 53.2 | Low | 61 Ų | 61 | 103 Ų | 103 | 50% | 0.504 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -72.7 | -29.9 | 170 | 0 | 0 | 0 | 0 | 0 | 112.3 | S400 A401 L406 A407 | S400-A404 PolarHBondContact O-N 2.92Å; A401-A404 PolarHBondContact O-N 2.95Å; A404-L406 PolarHBondContact O-N 3.45Å; A404-A407 PolarHBondContact O-N 2.95Å; A404-A407 VanDerWaalsContact O-N 3.16Å |
| 405 | A | 44.6 | Very low | 51.7 | Low | 78 Ų | 78 | 102 Ų | 102 | 65% | 0.645 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -1.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | A401 | A401-A405 PolarHBondContact O-N 2.91Å; A401-A405 VanDerWaalsContact O-N 3.09Å |
| 406 | L | 49.3 | Very low | 49.8 | Very low | 165 Ų | 165 | 101.4 Ų | 101.4 | 86% | 0.864 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | 3.8 | 177 | -89.7 | 163.2 | 0 | 0 | 0 | 114.1 | A404 | A404-L406 PolarHBondContact O-N 3.45Š|
| 407 | A | 50.1 | Low | 47.8 | Very low | 87 Ų | 87 | 103.1 Ų | 103.1 | 72% | 0.719 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -142.6 | 65.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A404 | A404-A407 PolarHBondContact O-N 2.95Å; A404-A407 VanDerWaalsContact O-N 3.16Å |
| 408 | T | 37.9 | Very low | 45.7 | Very low | 110 Ų | 110 | 104.2 Ų | 104.2 | 68% | 0.675 | 68% | 0.675 | S | S | * | * | trans | -136.1 | 115.9 | 175.3 | -42.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 409 | P | 45.4 | Very low | 43.9 | Very low | 92 Ų | 92 | 105.9 Ų | 105.9 | 60% | 0.597 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 151.7 | 171.4 | 31.1 | -34 | 0 | 0 | 0 | 110.8 | I411 | P409-I411 PolarHBondContact O-N 3.14Š|
| 410 | P | 40.9 | Very low | 42.5 | Very low | 126 Ų | 126 | 109.6 Ų | 109.6 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 126.8 | -175.5 | 27.7 | -34.6 | 0 | 0 | 0 | 112 | ||
| 411 | I | 38.3 | Very low | 41 | Very low | 159 Ų | 159 | 114 Ų | 114 | 82% | 0.815 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 121.6 | 170.9 | -61.5 | 178.4 | 0 | 0 | 0 | 108.5 | P409 | P409-I411 PolarHBondContact O-N 3.14Š|
| 412 | P | 36.9 | Very low | 40.1 | Very low | 124 Ų | 124 | 117.5 Ų | 117.5 | 81% | 0.805 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 154.2 | 176.4 | -14.4 | 30 | 0 | 0 | 0 | 112.7 | ||
| 413 | G | 39.9 | Very low | 39.1 | Very low | 85 Ų | 85 | 118.9 Ų | 118.9 | 88% | 0.876 | 75% | 0.749 | S | S | * | * | trans | 110.3 | 5.7 | 154.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 414 | S | 32 | Very low | 38.2 | Very low | 127 Ų | 127 | 116.4 Ų | 116.4 | 89% | 0.888 | 75% | 0.746 | S | S | * | * | trans | -96.9 | 114.9 | 169.4 | -169.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 415 | G | 45.1 | Very low | 37.8 | Very low | 63 Ų | 63 | 119.4 Ų | 119.4 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | trans | -134.1 | 69.5 | -172 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 416 | Q | 37.7 | Very low | 37 | Very low | 167 Ų | 167 | 123.8 Ų | 123.8 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | trans | -143.7 | 121.8 | 152.5 | -64.7 | -58.1 | -23.7 | 0 | 0 | 106.1 | ||||
| 417 | S | 33.5 | Very low | 36 | Very low | 104 Ų | 104 | 125.2 Ų | 125.2 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | 69.4 | 66.9 | 59.9 | -158.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 418 | S | 27.3 | Very low | 34.8 | Very low | 112 Ų | 112 | 126.4 Ų | 126.4 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | -102.9 | 71.5 | 168.2 | 49.1 | 0 | 0 | 0 | 0 | 110.9 | V420 | S418-V420 PolarHBondContact O-N 2.96Š| ||
| 419 | L | 33.8 | Very low | 34.5 | Very low | 134 Ų | 134 | 125.1 Ų | 125.1 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | trans | -73.9 | 84.8 | -179.5 | -169.9 | 78.1 | 0 | 0 | 0 | 111.7 | M421 | L419-M421 HydrophobicContact CD1-CE 4.32Å; L419-M421 HydrophobicContact CD2-CE 3.95Å; L419-M421 HydrophobicContact CG-CE 4.22Å; L419-M421 PolarHBondContact O-N 3.36Å | ||
| 420 | V | 35.3 | Very low | 33.8 | Very low | 124 Ų | 124 | 129.1 Ų | 129.1 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | trans | -77.5 | 113.3 | 170.6 | 179.1 | 0 | 0 | 0 | 0 | 109.7 | S418 | S418-V420 PolarHBondContact O-N 2.96Š| ||
| 421 | M | 28.7 | Very low | 33.2 | Very low | 154 Ų | 154 | 126 Ų | 126 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | trans | -91.2 | 108.9 | 175.2 | -84.1 | -74.7 | 166.8 | 0 | 0 | 111.6 | L419 | L419-M421 HydrophobicContact CD1-CE 4.32Å; L419-M421 HydrophobicContact CD2-CE 3.95Å; L419-M421 HydrophobicContact CG-CE 4.22Å; L419-M421 PolarHBondContact O-N 3.36Å | ||
| 422 | T | 35.3 | Very low | 32.8 | Very low | 128 Ų | 128 | 126.2 Ų | 126.2 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -133.4 | 152.4 | 161.7 | 49.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 423 | A | 31.9 | Very low | 32.4 | Very low | 102 Ų | 102 | 125.6 Ų | 125.6 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | trans | -79.4 | 158.8 | -152.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 424 | Q | 31 | Very low | 32.2 | Very low | 143 Ų | 143 | 127.9 Ų | 127.9 | 67% | 0.668 | 75% | 0.75 | S | S | * | * | trans | -48.3 | 149.5 | 163.1 | -84.7 | -77.5 | -17.5 | 0 | 0 | 113.3 | ||||
| 425 | P | 38.2 | Very low | 32.1 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 81% | 0.805 | 75% | 0.745 | S | S | * | * | -143.5 | 171.7 | 80.7 | 38.2 | -20.9 | 0 | 0 | 0 | 117.8 | |||||
| 426 | F | 29.2 | Very low | 31.3 | Very low | 170 Ų | 170 | 131.9 Ų | 131.9 | 75% | 0.746 | 75% | 0.748 | S | S | * | * | trans | -75.9 | 144 | -171.4 | -60.4 | -103.5 | 0 | 0 | 0 | 117 | ||||
| 427 | Q | 28.1 | Very low | 30.8 | Very low | 194 Ų | 194 | 134.3 Ų | 134.3 | 91% | 0.907 | 75% | 0.752 | S | S | * | * | trans | -172.1 | 139.3 | 130.1 | -99.2 | 149.8 | 83.5 | 0 | 0 | 107.5 | ||||
| 428 | S | 25.3 | Very low | 31.6 | Very low | 113 Ų | 113 | 135 Ų | 135 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | cis | 111.2 | 128.5 | 20.5 | -170.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 429 | A | 30 | Very low | 31.7 | Very low | 82 Ų | 82 | 139.5 Ų | 139.5 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | trans | 83.9 | 142.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 430 | Q | 30.8 | Very low | 31.6 | Very low | 176 Ų | 176 | 139 Ų | 139 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | 87.1 | 133.4 | 142.8 | -127.1 | 69.4 | 21.6 | 0 | 0 | 122.9 | ||||
| 431 | G | 28 | Very low | 31.4 | Very low | 62 Ų | 62 | 136.3 Ų | 136.3 | 64% | 0.639 | 76% | 0.764 | S | S | * | * | trans | 98.5 | 117.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 432 | Q | 30.3 | Very low | 31.5 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | cis | 61.8 | 131.9 | 25.8 | -63 | -169.5 | -91.5 | 0 | 0 | 113.8 | ||||
| 433 | D | 29.5 | Very low | 31.7 | Very low | 110 Ų | 110 | 138.3 Ų | 138.3 | 59% | 0.588 | 77% | 0.768 | S | S | * | * | cis | -166.4 | 173.2 | -0.2 | -128.9 | -39.3 | 0 | 0 | 0 | 111.7 | ||||
| 434 | I | 34.3 | Very low | 31.6 | Very low | 133 Ų | 133 | 141 Ų | 141 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | trans | 63.6 | 134.1 | 144.5 | -75.7 | 166.6 | 0 | 0 | 0 | 118 | ||||
| 435 | M | 30.8 | Very low | 31.8 | Very low | 157 Ų | 157 | 139.6 Ų | 139.6 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | cis | -169.1 | 175.2 | 10.4 | -133.9 | 179.9 | -167.9 | 0 | 0 | 114 | ||||
| 436 | T | 27.8 | Very low | 31.7 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 72% | 0.718 | 77% | 0.766 | S | S | * | * | trans | 79.6 | 102.2 | 142.1 | -62.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 437 | Y | 27.3 | Very low | 31.9 | Very low | 219 Ų | 219 | 140.1 Ų | 140.1 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | trans | -74.4 | -170.4 | 152 | -48.9 | -94.8 | 0 | 0 | 0 | 111.1 | ||||
| 438 | P | 49.8 | Very low | 32.6 | Very low | 118 Ų | 118 | 140 Ų | 140 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | cis | -134.4 | 165.6 | -11.8 | 39.2 | -23.3 | 0 | 0 | 0 | 115.4 | ||||
| 439 | K | 29.7 | Very low | 33 | Very low | 206 Ų | 206 | 137.5 Ų | 137.5 | 90% | 0.896 | 76% | 0.76 | S | S | * | * | trans | -158.6 | 112.7 | 135.7 | -131.6 | 167.2 | -176.3 | 172.8 | 0 | 115.6 | ||||
| 440 | S | 32 | Very low | 33.6 | Very low | 123 Ų | 123 | 143.2 Ų | 143.2 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | 23.6 | 120 | 144.8 | -173.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 441 | G | 31.1 | Very low | 34.2 | Very low | 68 Ų | 68 | 141.3 Ų | 141.3 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | 173.6 | 65.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 442 | C | 31.4 | Very low | 35.2 | Very low | 136 Ų | 136 | 141.8 Ų | 141.8 | 92% | 0.919 | 78% | 0.777 | S | S | * | * | trans | 59.9 | 148.2 | 165.7 | -61.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 443 | R | 38.2 | Very low | 36 | Very low | 188 Ų | 188 | 142 Ų | 142 | 71% | 0.709 | 78% | 0.782 | S | S | * | * | trans | -73.6 | 152 | 158.1 | -77.2 | 170.6 | 148 | -107.4 | -17.6 | 108.8 | E445 | R443-E445 IonicContact CZ-OE1 3.06Å; R443-E445 IonicContact CZ-OE2 2.73Å; R443-E445 IonicContact NH1-OE1 2.68Å; R443-E445 PolarHBondContact NH1-OE1 3.13Å; R443-E445 IonicContact NH1-OE2 2.72Å; R443-E445 PolarHBondContact NH1-OE2 3.32Å; R443-E445 IonicContact NH2-OE1 3.18Å; R443-E445 PolarHBondContact NH2-OE1 3.07Å; R443-E445 IonicContact NH2-OE2 3.21Å | ||
| 444 | D | 30.2 | Very low | 37 | Very low | 158 Ų | 158 | 141 Ų | 141 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | -143.8 | 139.1 | 115.1 | -143.8 | -6.7 | 0 | 0 | 0 | 110.4 | |||||
| 445 | E | 34.8 | Very low | 38.3 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 53% | 0.533 | 78% | 0.775 | S | S | . | * | trans | -96.6 | 117 | 176.5 | -80.4 | 168.8 | 171.6 | 0 | 0 | 107.8 | R443 Q447 | R443-E445 IonicContact CZ-OE1 3.06Å; R443-E445 IonicContact CZ-OE2 2.73Å; R443-E445 IonicContact NH1-OE1 2.68Å; R443-E445 PolarHBondContact NH1-OE1 3.13Å; R443-E445 IonicContact NH1-OE2 2.72Å; R443-E445 PolarHBondContact NH1-OE2 3.32Å; R443-E445 IonicContact NH2-OE1 3.18Å; R443-E445 PolarHBondContact NH2-OE1 3.07Å; R443-E445 IonicContact NH2-OE2 3.21Å; E445-Q447 PolarHBondContact O-N 2.82Å | ||
| 446 | V | 37.2 | Very low | 40.1 | Very low | 147 Ų | 147 | 131.9 Ų | 131.9 | 89% | 0.891 | 76% | 0.761 | S | S | * | * | trans | -75.7 | 75.9 | 177.2 | -173.6 | 0 | 0 | 0 | 0 | 109.8 | M448 | V446-M448 PolarHBondContact O-N 3.2Š| ||
| 447 | Q | 34.2 | Very low | 42.1 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | trans | -54.1 | 120.6 | 167.2 | -173.1 | 83.9 | 35.5 | 0 | 0 | 109.1 | E445 G449 | E445-Q447 PolarHBondContact O-N 2.82Å; Q447-G449 PolarHBondContact O-N 3.4Å | ||
| 448 | M | 42.8 | Very low | 44.6 | Very low | 191 Ų | 191 | 126.6 Ų | 126.6 | 94% | 0.941 | 74% | 0.743 | S | S | * | * | trans | -64.5 | 118.7 | 164 | -86.3 | -164 | 174.7 | 0 | 0 | 108.7 | V446 | V446-M448 PolarHBondContact O-N 3.2Š| ||
| 449 | G | 33.4 | Very low | 46 | Very low | 61 Ų | 61 | 125.6 Ų | 125.6 | 63% | 0.629 | 73% | 0.731 | S | S | * | * | trans | -142.2 | 90.1 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115 | Q447 | Q447-G449 PolarHBondContact O-N 3.4Š| ||
| 450 | K | 41.6 | Very low | 48.4 | Very low | 201 Ų | 201 | 120.2 Ų | 120.2 | 87% | 0.874 | 72% | 0.716 | S | S | * | * | trans | 63.5 | 158.2 | 158.2 | -59.4 | -173.6 | 178.2 | -175.6 | 0 | 118.2 | ||||
| 451 | P | 43.1 | Very low | 50.7 | Low | 136 Ų | 136 | 120.7 Ų | 120.7 | 88% | 0.883 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -74.8 | 145.5 | 173.8 | -10.3 | 27.7 | 0 | 0 | 0 | 111.5 | ||
| 452 | G | 50.3 | Low | 53 | Low | 72 Ų | 72 | 119.7 Ų | 119.7 | 74% | 0.742 | 69% | 0.687 | S | S | * | * | S | Bend | trans | 136.5 | -22.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 453 | L | 47.3 | Very low | 55.6 | Low | 167 Ų | 167 | 118 Ų | 118 | 87% | 0.874 | 67% | 0.668 | S | S | * | * | trans | -126.1 | 121.9 | -178.6 | -67 | 173.1 | 0 | 0 | 0 | 111.5 | G455 | L453-G455 PolarHBondContact O-N 2.76Š| ||
| 454 | P | 50.3 | Low | 57.8 | Low | 91 Ų | 91 | 114.4 Ų | 114.4 | 59% | 0.591 | 66% | 0.66 | S | S | * | * | trans | -74.7 | 109.8 | 175.8 | 29.6 | -32.3 | 0 | 0 | 0 | 110 | ||||
| 455 | G | 60.4 | Low | 60.6 | Low | 51 Ų | 51 | 116 Ų | 116 | 53% | 0.526 | 65% | 0.654 | S | S | . | * | trans | -57.5 | 150.2 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | L453 N457 D458 L459 | L453-G455 PolarHBondContact O-N 2.76Å; G455-N457 PolarHBondContact O-N 3.06Å; G455-D458 PolarHBondContact O-N 3.19Å; G455-L459 PolarHBondContact O-N 2.98Å | ||
| 456 | G | 68.6 | Low | 63.1 | Low | 47 Ų | 47 | 115.9 Ų | 115.9 | 49% | 0.485 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -54.3 | -24.9 | -170 | 0 | 0 | 0 | 0 | 0 | 115.7 | D458 L459 T460 | G456-D458 VanDerWaalsContact C-N 3.32Å; G456-D458 PolarHBondContact O-N 2.92Å; G456-L459 PolarHBondContact O-N 2.98Å; G456-T460 WeakPolarHBondContact O-CB 3.31Å; G456-T460 PolarHBondContact O-N 3.29Å; G456-T460 PolarHBondContact O-OG1 2.66Å |
| 457 | N | 69.4 | Low | 65.5 | Low | 134 Ų | 134 | 112.3 Ų | 112.3 | 72% | 0.717 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.5 | -31.9 | 174.2 | -63 | -17.7 | 0 | 0 | 0 | 113 | G455 K461 | G455-N457 PolarHBondContact O-N 3.06Å; N457-K461 VanDerWaalsContact O-CG 3.31Å; N457-K461 WeakPolarHBondContact O-CG 3.48Å; N457-K461 PolarHBondContact O-N 3.23Å |
| 458 | D | 81.3 | Confident | 67.9 | Low | 91 Ų | 91 | 108.9 Ų | 108.9 | 49% | 0.487 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -82.8 | -40.6 | 175.4 | -167.2 | 55.5 | 0 | 0 | 0 | 111.6 | G455 G456 T460 K461 A462 | G455-D458 PolarHBondContact O-N 3.19Å; G456-D458 VanDerWaalsContact C-N 3.32Å; G456-D458 PolarHBondContact O-N 2.92Å; D458-T460 PolarHBondContact O-N 3.32Å; D458-K461 CarbonylContact O-C 3.57Å; D458-K461 WeakPolarHBondContact O-CA 3.43Å; D458-K461 WeakPolarHBondContact O-CB 3.32Å; D458-K461 PolarHBondContact O-N 3.46Å; D458-A462 WeakPolarHBondContact O-CB 3.38Å; D458-A462 PolarHBondContact O-N 3.4Å |
| 459 | L | 79.3 | Confident | 69.6 | Low | 97 Ų | 97 | 109.2 Ų | 109.2 | 51% | 0.508 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -54.3 | -42.1 | 169.7 | 177.3 | 61.3 | 0 | 0 | 0 | 111.6 | G455 G456 K461 A462 L463 | G455-L459 PolarHBondContact O-N 2.98Å; G456-L459 PolarHBondContact O-N 2.98Å; L459-K461 PolarHBondContact O-N 2.95Å; L459-A462 PolarHBondContact O-N 2.93Å; L459-L463 HydrophobicContact CD1-CD1 4.2Å; L459-L463 HydrophobicContact CD1-CG 4.23Å; L459-L463 HydrophobicContact CG-CD1 4.13Å; L459-L463 WeakPolarHBondContact O-CB 3.2Å; L459-L463 WeakPolarHBondContact O-CG 3.44Å; L459-L463 PolarHBondContact O-N 2.7Å |
| 460 | T | 80.4 | Confident | 72 | Confident | 93 Ų | 93 | 115.3 Ų | 115.3 | 57% | 0.571 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63 | -41.3 | 175.8 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | G456 D458 H464 | G456-T460 WeakPolarHBondContact O-CB 3.31Å; G456-T460 PolarHBondContact O-N 3.29Å; G456-T460 PolarHBondContact O-OG1 2.66Å; D458-T460 PolarHBondContact O-N 3.32Å; T460-H464 WeakPolarHBondContact O-CB 3.41Å; T460-H464 PolarHBondContact O-N 2.98Å |
| 461 | K | 79.6 | Confident | 74 | Confident | 132 Ų | 132 | 111.8 Ų | 111.8 | 57% | 0.574 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68 | -37.9 | 174.8 | -71.8 | 168.1 | -176.4 | 176.3 | 0 | 112.3 | N457 D458 L459 H464 R465 | N457-K461 VanDerWaalsContact O-CG 3.31Å; N457-K461 WeakPolarHBondContact O-CG 3.48Å; N457-K461 PolarHBondContact O-N 3.23Å; D458-K461 CarbonylContact O-C 3.57Å; D458-K461 WeakPolarHBondContact O-CA 3.43Å; D458-K461 WeakPolarHBondContact O-CB 3.32Å; D458-K461 PolarHBondContact O-N 3.46Å; L459-K461 PolarHBondContact O-N 2.95Å; K461-H464 PolarHBondContact O-N 3.45Å; K461-R465 WeakPolarHBondContact O-CB 3.11Å; K461-R465 WeakPolarHBondContact O-CG 3.27Å; K461-R465 PolarHBondContact O-N 2.77Å |
| 462 | A | 79 | Confident | 75.7 | Confident | 48 Ų | 48 | 109.5 Ų | 109.5 | 40% | 0.397 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.6 | -45.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | D458 L459 H464 R465 L466 | D458-A462 WeakPolarHBondContact O-CB 3.38Å; D458-A462 PolarHBondContact O-N 3.4Å; L459-A462 PolarHBondContact O-N 2.93Å; A462-H464 PolarHBondContact O-N 3.18Å; A462-R465 PolarHBondContact O-N 2.97Å; A462-L466 WeakPolarHBondContact O-CB 3.49Å; A462-L466 PolarHBondContact O-N 2.76Å |
| 463 | L | 85.2 | Confident | 77.5 | Confident | 99 Ų | 99 | 112.2 Ų | 112.2 | 52% | 0.518 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.5 | -40.3 | 173.7 | -71.5 | 171.1 | 0 | 0 | 0 | 111.9 | L459 L466 S467 | L459-L463 HydrophobicContact CD1-CD1 4.2Å; L459-L463 HydrophobicContact CD1-CG 4.23Å; L459-L463 HydrophobicContact CG-CD1 4.13Å; L459-L463 WeakPolarHBondContact O-CB 3.2Å; L459-L463 WeakPolarHBondContact O-CG 3.44Å; L459-L463 PolarHBondContact O-N 2.7Å; L463-L466 PolarHBondContact O-N 3.02Å; L463-S467 WeakPolarHBondContact O-CB 3.47Å; L463-S467 PolarHBondContact O-N 3.08Å |
| 464 | H | 85.1 | Confident | 79.2 | Confident | 114 Ų | 114 | 108.2 Ų | 108.2 | 53% | 0.528 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.7 | -44.5 | 174.5 | -168.9 | -90.6 | 0 | 0 | 0 | 112.1 | T460 K461 A462 L466 S467 L468 | T460-H464 WeakPolarHBondContact O-CB 3.41Å; T460-H464 PolarHBondContact O-N 2.98Å; K461-H464 PolarHBondContact O-N 3.45Å; A462-H464 PolarHBondContact O-N 3.18Å; H464-L466 PolarHBondContact O-N 2.86Å; H464-S467 PolarHBondContact O-N 2.71Å; H464-L468 WeakPolarHBondContact O-CG 3.36Å; H464-L468 PolarHBondContact O-N 3.24Å |
| 465 | R | 90.1 | Very high | 80.3 | Confident | 190 Ų | 190 | 106.5 Ų | 106.5 | 72% | 0.717 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.5 | -39 | 174 | -76.3 | 174.4 | 170.5 | -169.9 | -3.4 | 112.5 | K461 A462 R469 | K461-R465 WeakPolarHBondContact O-CB 3.11Å; K461-R465 WeakPolarHBondContact O-CG 3.27Å; K461-R465 PolarHBondContact O-N 2.77Å; A462-R465 PolarHBondContact O-N 2.97Å; R465-R469 PolarHBondContact O-N 3.33Å |
| 466 | L | 86.2 | Confident | 81 | Confident | 112 Ų | 112 | 108.6 Ų | 108.6 | 59% | 0.586 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.8 | -40.7 | 176.4 | -176.8 | 62.4 | 0 | 0 | 0 | 111.6 | A462 L463 H464 R469 R470 | A462-L466 WeakPolarHBondContact O-CB 3.49Å; A462-L466 PolarHBondContact O-N 2.76Å; L463-L466 PolarHBondContact O-N 3.02Å; H464-L466 PolarHBondContact O-N 2.86Å; L466-R469 PolarHBondContact O-N 2.86Å; L466-R470 WeakPolarHBondContact O-CB 3.16Å; L466-R470 PolarHBondContact O-N 2.91Å |
| 467 | S | 87.7 | Confident | 81.6 | Confident | 72 Ų | 72 | 113.8 Ų | 113.8 | 50% | 0.503 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 174.3 | -166.7 | 0 | 0 | 0 | 0 | 111.4 | L463 H464 R469 R470 Q471 | L463-S467 WeakPolarHBondContact O-CB 3.47Å; L463-S467 PolarHBondContact O-N 3.08Å; H464-S467 PolarHBondContact O-N 2.71Å; S467-R469 PolarHBondContact O-N 2.86Å; S467-R470 PolarHBondContact O-N 3.16Å; S467-Q471 WeakPolarHBondContact O-CB 3.44Å; S467-Q471 PolarHBondContact O-N 3.48Å |
| 468 | L | 83.9 | Confident | 82.2 | Confident | 88 Ų | 88 | 113.8 Ų | 113.8 | 46% | 0.461 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 175.3 | -73.7 | 173.4 | 0 | 0 | 0 | 112.5 | H464 R470 Q471 N472 | H464-L468 WeakPolarHBondContact O-CG 3.36Å; H464-L468 PolarHBondContact O-N 3.24Å; L468-R470 PolarHBondContact O-N 3.34Å; L468-Q471 PolarHBondContact O-N 3Å; L468-N472 VanDerWaalsContact O-CB 3.27Å; L468-N472 WeakPolarHBondContact O-CB 3.42Å; L468-N472 PolarHBondContact O-N 3.39Å |
| 469 | R | 79.1 | Confident | 82.3 | Confident | 198 Ų | 198 | 115.4 Ų | 115.4 | 75% | 0.747 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.2 | -43.2 | 173.1 | -86.6 | -175.8 | 167.9 | 173.6 | -3.8 | 112.2 | R465 L466 S467 N472 F473 | R465-R469 PolarHBondContact O-N 3.33Å; L466-R469 PolarHBondContact O-N 2.86Å; S467-R469 PolarHBondContact O-N 2.86Å; R469-N472 PolarHBondContact O-N 3.16Å; R469-F473 WeakPolarHBondContact O-CB 3.46Å; R469-F473 PolarHBondContact O-N 3.06Å |
| 470 | R | 83.4 | Confident | 82.1 | Confident | 188 Ų | 188 | 116.5 Ų | 116.5 | 71% | 0.709 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.9 | -41.6 | 177.8 | -172.4 | -179.3 | -178.6 | -164.1 | 0.7 | 111.8 | L466 S467 L468 L474 | L466-R470 WeakPolarHBondContact O-CB 3.16Å; L466-R470 PolarHBondContact O-N 2.91Å; S467-R470 PolarHBondContact O-N 3.16Å; L468-R470 PolarHBondContact O-N 3.34Å; R470-L474 HydrophobicContact CG-CD1 4.42Å; R470-L474 VanDerWaalsContact O-CG 3.27Å; R470-L474 WeakPolarHBondContact O-CG 3.44Å; R470-L474 PolarHBondContact O-N 2.96Å; R470-L474 VanDerWaalsContact O-N 3.08Å |
| 471 | Q | 84.8 | Confident | 82.1 | Confident | 127 Ų | 127 | 116.8 Ų | 116.8 | 59% | 0.593 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.2 | -43.6 | 175.8 | -174.8 | 176.4 | 3.3 | 0 | 0 | 111.4 | S467 L468 L474 S475 | S467-Q471 WeakPolarHBondContact O-CB 3.44Å; S467-Q471 PolarHBondContact O-N 3.48Å; L468-Q471 PolarHBondContact O-N 3Å; Q471-L474 PolarHBondContact O-N 2.89Å; Q471-S475 PolarHBondContact O-N 2.98Å; Q471-S475 PolarHBondContact O-OG 3.1Å |
| 472 | N | 78.4 | Confident | 81.9 | Confident | 89 Ų | 89 | 113.1 Ų | 113.1 | 48% | 0.476 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.3 | -46.8 | 178.5 | 179.5 | -121.1 | 0 | 0 | 0 | 111.9 | L468 R469 L474 S475 E476 | L468-N472 VanDerWaalsContact O-CB 3.27Å; L468-N472 WeakPolarHBondContact O-CB 3.42Å; L468-N472 PolarHBondContact O-N 3.39Å; R469-N472 PolarHBondContact O-N 3.16Å; N472-L474 VanDerWaalsContact C-N 3.29Å; N472-L474 PolarHBondContact O-N 3.05Å; N472-S475 WeakPolarHBondContact CA-OG 3.39Å; N472-S475 WeakPolarHBondContact O-CA 3.32Å; N472-S475 PolarHBondContact O-N 3.47Å; N472-S475 PolarHBondContact O-OG 3.49Å; N472-E476 PolarHBondContact O-N 2.88Å |
| 473 | F | 87.3 | Confident | 81.7 | Confident | 128 Ų | 128 | 115.8 Ų | 115.8 | 56% | 0.561 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -58 | -38.1 | 173 | 177.4 | -100.6 | 0 | 0 | 0 | 113.1 | R469 R477 | R469-F473 WeakPolarHBondContact O-CB 3.46Å; R469-F473 PolarHBondContact O-N 3.06Å; F473-R477 VanDerWaalsContact O-CB 3.31Å; F473-R477 WeakPolarHBondContact O-CB 3.47Å; F473-R477 PolarHBondContact O-N 3.09Å |
| 474 | L | 83.6 | Confident | 80.8 | Confident | 83 Ų | 83 | 119.2 Ų | 119.2 | 44% | 0.435 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.2 | -39 | 173.5 | -73 | 169.3 | 0 | 0 | 0 | 111.9 | R470 Q471 N472 R477 Q478 | R470-L474 HydrophobicContact CG-CD1 4.42Å; R470-L474 VanDerWaalsContact O-CG 3.27Å; R470-L474 WeakPolarHBondContact O-CG 3.44Å; R470-L474 PolarHBondContact O-N 2.96Å; R470-L474 VanDerWaalsContact O-N 3.08Å; Q471-L474 PolarHBondContact O-N 2.89Å; N472-L474 VanDerWaalsContact C-N 3.29Å; N472-L474 PolarHBondContact O-N 3.05Å; L474-R477 PolarHBondContact O-N 3.06Å; L474-Q478 WeakPolarHBondContact O-CB 3.37Å; L474-Q478 WeakPolarHBondContact O-CG 3.47Å; L474-Q478 PolarHBondContact O-N 2.7Å |
| 475 | S | 72.9 | Confident | 80.3 | Confident | 55 Ų | 55 | 119.4 Ų | 119.4 | 39% | 0.385 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.2 | -38.8 | 176.3 | 64 | 0 | 0 | 0 | 0 | 113.4 | Q471 N472 Q478 F479 | Q471-S475 PolarHBondContact O-N 2.98Å; Q471-S475 PolarHBondContact O-OG 3.1Å; N472-S475 WeakPolarHBondContact CA-OG 3.39Å; N472-S475 WeakPolarHBondContact O-CA 3.32Å; N472-S475 PolarHBondContact O-N 3.47Å; N472-S475 PolarHBondContact O-OG 3.49Å; S475-Q478 PolarHBondContact O-N 3.16Å; S475-F479 WeakPolarHBondContact O-CB 3.33Å; S475-F479 PolarHBondContact O-N 3.06Å |
| 476 | E | 76.1 | Confident | 79.4 | Confident | 95 Ų | 95 | 116.9 Ų | 116.9 | 44% | 0.444 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.3 | -45.3 | 171.9 | -71.2 | -174.4 | 141.1 | 0 | 0 | 110.9 | N472 Q478 F479 F480 | N472-E476 PolarHBondContact O-N 2.88Å; E476-Q478 VanDerWaalsContact C-N 3.31Å; E476-Q478 PolarHBondContact O-N 3.13Å; E476-F479 WeakPolarHBondContact O-CB 3.43Å; E476-F479 PolarHBondContact O-N 3.11Å; E476-F479 VanDerWaalsContact O-N 3.16Å; E476-F480 HydrophobicContact CB-CD2 4.46Å; E476-F480 HydrophobicContact CB-CE2 4.31Å; E476-F480 WeakPolarHBondContact O-CD2 3.17Å; E476-F480 PolarHBondContact O-N 3.36Å |
| 477 | R | 81.9 | Confident | 78.9 | Confident | 156 Ų | 156 | 118.5 Ų | 118.5 | 59% | 0.589 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.9 | -40 | 176.2 | -179.8 | 175 | 170.6 | 166.9 | -1.4 | 112.1 | F473 L474 Q481 | F473-R477 VanDerWaalsContact O-CB 3.31Å; F473-R477 WeakPolarHBondContact O-CB 3.47Å; F473-R477 PolarHBondContact O-N 3.09Å; L474-R477 PolarHBondContact O-N 3.06Å; R477-Q481 VanDerWaalsContact O-CB 3.22Å; R477-Q481 WeakPolarHBondContact O-CB 3.27Å; R477-Q481 PolarHBondContact O-N 3.01Å |
| 478 | Q | 80.8 | Confident | 77.9 | Confident | 134 Ų | 134 | 120 Ų | 120 | 63% | 0.626 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.5 | -40.7 | 174 | -77.6 | 175 | -19.2 | 0 | 0 | 111.8 | L474 S475 E476 Q481 A482 | L474-Q478 WeakPolarHBondContact O-CB 3.37Å; L474-Q478 WeakPolarHBondContact O-CG 3.47Å; L474-Q478 PolarHBondContact O-N 2.7Å; S475-Q478 PolarHBondContact O-N 3.16Å; E476-Q478 VanDerWaalsContact C-N 3.31Å; E476-Q478 PolarHBondContact O-N 3.13Å; Q478-Q481 PolarHBondContact O-N 3.39Å; Q478-A482 WeakPolarHBondContact O-CB 3.28Å; Q478-A482 PolarHBondContact O-N 3.05Å |
| 479 | F | 82.8 | Confident | 77 | Confident | 126 Ų | 126 | 122.5 Ų | 122.5 | 55% | 0.553 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.5 | -52.9 | 175.3 | -179.2 | -89.4 | 0 | 0 | 0 | 111.6 | S475 E476 Q481 A482 E483 | S475-F479 WeakPolarHBondContact O-CB 3.33Å; S475-F479 PolarHBondContact O-N 3.06Å; E476-F479 WeakPolarHBondContact O-CB 3.43Å; E476-F479 PolarHBondContact O-N 3.11Å; E476-F479 VanDerWaalsContact O-N 3.16Å; F479-Q481 PolarHBondContact O-N 3Å; F479-A482 PolarHBondContact O-N 3.38Å; F479-E483 WeakPolarHBondContact O-CB 3.43Å; F479-E483 PolarHBondContact O-N 3.32Å |
| 480 | F | 76.7 | Confident | 76.1 | Confident | 119 Ų | 119 | 118.6 Ų | 118.6 | 52% | 0.522 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66.6 | -22.4 | 177.4 | -67.8 | -57.6 | 0 | 0 | 0 | 113.6 | E476 R484 | E476-F480 HydrophobicContact CB-CD2 4.46Å; E476-F480 HydrophobicContact CB-CE2 4.31Å; E476-F480 WeakPolarHBondContact O-CD2 3.17Å; E476-F480 PolarHBondContact O-N 3.36Å; F480-R484 VanDerWaalsContact O-CB 3.29Å; F480-R484 WeakPolarHBondContact O-CB 3.23Å; F480-R484 PolarHBondContact O-N 2.98Å |
| 481 | Q | 79.1 | Confident | 74.7 | Confident | 100 Ų | 100 | 115.7 Ų | 115.7 | 47% | 0.467 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -76.1 | -47.4 | 171.7 | -175.2 | 164.8 | -15.7 | 0 | 0 | 110.9 | R477 Q478 F479 E483 R484 E485 | R477-Q481 VanDerWaalsContact O-CB 3.22Å; R477-Q481 WeakPolarHBondContact O-CB 3.27Å; R477-Q481 PolarHBondContact O-N 3.01Å; Q478-Q481 PolarHBondContact O-N 3.39Å; F479-Q481 PolarHBondContact O-N 3Å; Q481-E483 PolarHBondContact O-N 3.37Å; Q481-R484 WeakPolarHBondContact O-CB 3.49Å; Q481-R484 PolarHBondContact O-N 3.49Å; Q481-E485 VanDerWaalsContact O-CB 3.28Å; Q481-E485 WeakPolarHBondContact O-CB 3.44Å; Q481-E485 PolarHBondContact O-N 2.73Å |
| 482 | A | 76.3 | Confident | 73.1 | Confident | 54 Ų | 54 | 114.5 Ų | 114.5 | 45% | 0.446 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65 | -35.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q478 F479 E485 K486 | Q478-A482 WeakPolarHBondContact O-CB 3.28Å; Q478-A482 PolarHBondContact O-N 3.05Å; F479-A482 PolarHBondContact O-N 3.38Å; A482-E485 PolarHBondContact O-N 2.85Å; A482-K486 VanDerWaalsContact O-CB 3.23Å; A482-K486 WeakPolarHBondContact O-CB 3.22Å; A482-K486 PolarHBondContact O-N 3.23Å |
| 483 | E | 73.7 | Confident | 71.9 | Confident | 105 Ų | 105 | 113.2 Ų | 113.2 | 49% | 0.491 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.9 | -38.9 | 174.2 | -174.8 | 171.2 | -123.5 | 0 | 0 | 111.6 | F479 Q481 K487 | F479-E483 WeakPolarHBondContact O-CB 3.43Å; F479-E483 PolarHBondContact O-N 3.32Å; Q481-E483 PolarHBondContact O-N 3.37Å; E483-K487 VanDerWaalsContact O-CB 3.29Å; E483-K487 WeakPolarHBondContact O-CB 3.39Å; E483-K487 PolarHBondContact O-N 3.41Å |
| 484 | R | 67.8 | Low | 70.3 | Confident | 171 Ų | 171 | 110.7 Ų | 110.7 | 65% | 0.645 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.5 | -39.7 | 172.8 | -171.7 | -163.9 | -49.3 | -178.2 | 2.4 | 112.2 | F480 Q481 K487 L488 | F480-R484 VanDerWaalsContact O-CB 3.29Å; F480-R484 WeakPolarHBondContact O-CB 3.23Å; F480-R484 PolarHBondContact O-N 2.98Å; Q481-R484 WeakPolarHBondContact O-CB 3.49Å; Q481-R484 PolarHBondContact O-N 3.49Å; R484-K487 CarbonylContact O-C 3.58Å; R484-K487 WeakPolarHBondContact O-CB 3.48Å; R484-K487 PolarHBondContact O-N 3.02Å; R484-L488 PolarHBondContact O-N 3.25Å |
| 485 | E | 73.4 | Confident | 68.4 | Low | 117 Ų | 117 | 115.2 Ų | 115.2 | 55% | 0.547 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.2 | -43.4 | 178.4 | -170.5 | 160.2 | -133.3 | 0 | 0 | 110.9 | Q481 A482 K487 L488 Q489 | Q481-E485 VanDerWaalsContact O-CB 3.28Å; Q481-E485 WeakPolarHBondContact O-CB 3.44Å; Q481-E485 PolarHBondContact O-N 2.73Å; A482-E485 PolarHBondContact O-N 2.85Å; E485-K487 VanDerWaalsContact C-N 3.32Å; E485-K487 PolarHBondContact O-N 3.43Å; E485-L488 WeakPolarHBondContact O-CB 3.45Å; E485-L488 PolarHBondContact O-N 2.89Å; E485-L488 VanDerWaalsContact O-N 3.17Å; E485-Q489 WeakPolarHBondContact O-CB 3.47Å; E485-Q489 PolarHBondContact O-N 3.23Å |
| 486 | K | 72.4 | Confident | 66.9 | Low | 138 Ų | 138 | 116.7 Ų | 116.7 | 60% | 0.6 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -59.3 | -39.9 | 167.4 | -176.8 | 176.7 | 180 | 179 | 0 | 112 | A482 L488 Q489 N490 | A482-K486 VanDerWaalsContact O-CB 3.23Å; A482-K486 WeakPolarHBondContact O-CB 3.22Å; A482-K486 PolarHBondContact O-N 3.23Å; K486-L488 VanDerWaalsContact C-N 3.35Å; K486-Q489 PolarHBondContact O-N 2.88Å; K486-N490 VanDerWaalsContact O-CB 3.3Å; K486-N490 WeakPolarHBondContact O-CB 3.43Å; K486-N490 VanDerWaalsContact O-CG 3.3Å; K486-N490 PolarHBondContact O-N 3.07Å; K486-N490 PolarHBondContact O-OD1 2.88Å |
| 487 | K | 75.8 | Confident | 65.2 | Low | 146 Ų | 146 | 120.5 Ų | 120.5 | 64% | 0.635 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.2 | -33.8 | 175.6 | -169.5 | 171.6 | -177.6 | 175.7 | 0 | 112.4 | E483 R484 E485 Q491 | E483-K487 VanDerWaalsContact O-CB 3.29Å; E483-K487 WeakPolarHBondContact O-CB 3.39Å; E483-K487 PolarHBondContact O-N 3.41Å; R484-K487 CarbonylContact O-C 3.58Å; R484-K487 WeakPolarHBondContact O-CB 3.48Å; R484-K487 PolarHBondContact O-N 3.02Å; E485-K487 VanDerWaalsContact C-N 3.32Å; E485-K487 PolarHBondContact O-N 3.43Å; K487-Q491 WeakPolarHBondContact O-CG 3.46Å; K487-Q491 PolarHBondContact O-N 3.24Å; K487-Q491 PolarHBondContact O-NE2 2.81Å |
| 488 | L | 65.7 | Low | 63.1 | Low | 102 Ų | 102 | 115.9 Ų | 115.9 | 53% | 0.534 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.4 | -48.8 | 169.7 | -86.1 | 155.7 | 0 | 0 | 0 | 111.1 | R484 E485 K486 N490 Q491 T492 | R484-L488 PolarHBondContact O-N 3.25Å; E485-L488 WeakPolarHBondContact O-CB 3.45Å; E485-L488 PolarHBondContact O-N 2.89Å; E485-L488 VanDerWaalsContact O-N 3.17Å; K486-L488 VanDerWaalsContact C-N 3.35Å; L488-N490 VanDerWaalsContact C-N 3.31Å; L488-N490 PolarHBondContact O-N 2.93Å; L488-Q491 CarbonylContact O-C 3.55Å; L488-Q491 WeakPolarHBondContact O-CA 3.27Å; L488-Q491 WeakPolarHBondContact O-CB 3.38Å; L488-Q491 PolarHBondContact O-N 2.87Å; L488-T492 PolarHBondContact O-N 3.41Å; L488-T492 PolarHBondContact O-OG1 3.43Å |
| 489 | Q | 65.2 | Low | 61 | Low | 141 Ų | 141 | 119.6 Ų | 119.6 | 66% | 0.659 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.6 | -33.2 | -178.3 | -161.5 | 162.9 | 18.5 | 0 | 0 | 112.6 | E485 K486 Q491 T492 G493 | E485-Q489 WeakPolarHBondContact O-CB 3.47Å; E485-Q489 PolarHBondContact O-N 3.23Å; K486-Q489 PolarHBondContact O-N 2.88Å; Q489-Q491 VanDerWaalsContact C-N 3.26Å; Q489-Q491 PolarHBondContact O-N 3.32Å; Q489-T492 PolarHBondContact O-N 3.12Å; Q489-G493 PolarHBondContact O-N 2.86Å |
| 490 | N | 60.9 | Low | 58.7 | Low | 117 Ų | 117 | 117.1 Ų | 117.1 | 63% | 0.626 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68.4 | -18.8 | 169.4 | -77.9 | 22.3 | 0 | 0 | 0 | 113.9 | K486 L488 | K486-N490 VanDerWaalsContact O-CB 3.3Å; K486-N490 WeakPolarHBondContact O-CB 3.43Å; K486-N490 VanDerWaalsContact O-CG 3.3Å; K486-N490 PolarHBondContact O-N 3.07Å; K486-N490 PolarHBondContact O-OD1 2.88Å; L488-N490 VanDerWaalsContact C-N 3.31Å; L488-N490 PolarHBondContact O-N 2.93Å |
| 491 | Q | 53.9 | Low | 56.8 | Low | 126 Ų | 126 | 116.7 Ų | 116.7 | 59% | 0.589 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -89.4 | -38.9 | 171.6 | -74.6 | 166.4 | 96.8 | 0 | 0 | 111 | K487 L488 Q489 A494 | K487-Q491 WeakPolarHBondContact O-CG 3.46Å; K487-Q491 PolarHBondContact O-N 3.24Å; K487-Q491 PolarHBondContact O-NE2 2.81Å; L488-Q491 CarbonylContact O-C 3.55Å; L488-Q491 WeakPolarHBondContact O-CA 3.27Å; L488-Q491 WeakPolarHBondContact O-CB 3.38Å; L488-Q491 PolarHBondContact O-N 2.87Å; Q489-Q491 VanDerWaalsContact C-N 3.26Å; Q489-Q491 PolarHBondContact O-N 3.32Å; Q491-A494 PolarHBondContact O-N 2.82Å |
| 492 | T | 51.6 | Low | 54.5 | Low | 102 Ų | 102 | 118.8 Ų | 118.8 | 63% | 0.626 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -67.9 | -34.3 | 175 | -52.1 | 0 | 0 | 0 | 0 | 112.3 | L488 Q489 A494 | L488-T492 PolarHBondContact O-N 3.41Å; L488-T492 PolarHBondContact O-OG1 3.43Å; Q489-T492 PolarHBondContact O-N 3.12Å; T492-A494 PolarHBondContact O-N 3.47Å |
| 493 | G | 52.2 | Low | 52.3 | Low | 63 Ų | 63 | 122 Ų | 122 | 65% | 0.649 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 8.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q489 | Q489-G493 PolarHBondContact O-N 2.86Š|
| 494 | A | 53.6 | Low | 50.2 | Low | 75 Ų | 75 | 122.1 Ų | 122.1 | 62% | 0.62 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -15 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q491 T492 | Q491-A494 PolarHBondContact O-N 2.82Å; T492-A494 PolarHBondContact O-N 3.47Å |
| 495 | E | 44.1 | Very low | 48.5 | Very low | 178 Ų | 178 | 119.8 Ų | 119.8 | 83% | 0.832 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -131.9 | 43 | -170.6 | -68.4 | -70.4 | 170.5 | 0 | 0 | 111.3 | ||
| 496 | A | 41 | Very low | 46.8 | Very low | 86 Ų | 86 | 120.4 Ų | 120.4 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | trans | -145.5 | 106.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 497 | D | 39.7 | Very low | 44.7 | Very low | 175 Ų | 175 | 122.5 Ų | 122.5 | 94% | 0.936 | 74% | 0.737 | S | S | * | * | trans | -88 | 160.1 | -180 | -164.1 | 6.4 | 0 | 0 | 0 | 111.5 | ||||
| 498 | G | 38.3 | Very low | 42.5 | Very low | 59 Ų | 59 | 118.7 Ų | 118.7 | 61% | 0.608 | 74% | 0.74 | S | S | * | * | trans | 97 | 101.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 499 | E | 36.7 | Very low | 40.9 | Very low | 211 Ų | 211 | 119.2 Ų | 119.2 | 99% | 0.986 | 75% | 0.752 | S | S | * | * | 61.9 | 113.2 | 129.8 | -164.8 | 166.8 | -154.5 | 0 | 0 | 121.1 | |||||
| 500 | G | 34.1 | Very low | 39.4 | Very low | 74 Ų | 74 | 118.8 Ų | 118.8 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | trans | 145.2 | 120.8 | 147.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 501 | S | 36.3 | Very low | 38.2 | Very low | 110 Ų | 110 | 120.7 Ų | 120.7 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | 66.8 | 96.6 | 147.8 | -168 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 502 | D | 32.1 | Very low | 37.1 | Very low | 145 Ų | 145 | 119.5 Ų | 119.5 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | 38.9 | 116.6 | 126.6 | -54.4 | -18.7 | 0 | 0 | 0 | 121.5 | |||||
| 503 | C | 30.1 | Very low | 36.4 | Very low | 120 Ų | 120 | 119.3 Ų | 119.3 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | -174 | 117 | 104.7 | -92.5 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 504 | S | 28.8 | Very low | 35.4 | Very low | 108 Ų | 108 | 125.9 Ų | 125.9 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | 18.4 | 113.5 | 148.1 | 45.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 505 | S | 32.1 | Very low | 34.4 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -157.2 | 122.1 | 138.9 | -82.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 506 | P | 37.3 | Very low | 33.9 | Very low | 130 Ų | 130 | 125.9 Ų | 125.9 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | trans | -96.7 | 133 | -171.5 | 34.9 | -32.9 | 0 | 0 | 0 | 114.2 | ||||
| 507 | M | 29.3 | Very low | 33.5 | Very low | 182 Ų | 182 | 130.4 Ų | 130.4 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | 165.3 | 100.6 | 119.1 | -175.7 | 162 | 65.6 | 0 | 0 | 111.9 | |||||
| 508 | G | 28.6 | Very low | 33.2 | Very low | 67 Ų | 67 | 126.1 Ų | 126.1 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | trans | -81 | 149 | 149.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 509 | S | 33.3 | Very low | 32.9 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | cis | 92.3 | 104.8 | 47.9 | -172.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 510 | V | 33.4 | Very low | 32.6 | Very low | 132 Ų | 132 | 128.1 Ų | 128.1 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | trans | -160.9 | 112.4 | 156.7 | -96.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 511 | L | 36.2 | Very low | 32.7 | Very low | 156 Ų | 156 | 131.3 Ų | 131.3 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | 67 | 129.8 | 84.4 | -63.4 | 178.3 | 0 | 0 | 0 | 113.3 | |||||
| 512 | S | 30.5 | Very low | 32.5 | Very low | 101 Ų | 101 | 133 Ų | 133 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | -174.2 | 158.2 | 56.1 | 47.5 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 513 | S | 37 | Very low | 32.5 | Very low | 98 Ų | 98 | 128.7 Ų | 128.7 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | trans | 65.8 | 155.5 | 156.1 | -51.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 514 | F | 30.6 | Very low | 32.7 | Very low | 201 Ų | 201 | 128.8 Ų | 128.8 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | cis | -132.8 | -173.4 | 13.6 | -31 | -93.8 | 0 | 0 | 0 | 112.3 | ||||
| 515 | S | 33.3 | Very low | 33 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -107.7 | 154.8 | -155.7 | -46.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 516 | N | 32.2 | Very low | 33.6 | Very low | 147 Ų | 147 | 130.4 Ų | 130.4 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | 56.3 | 113.7 | 145 | -59.8 | -7.3 | 0 | 0 | 0 | 121.4 | ||||
| 517 | L | 34.4 | Very low | 33.5 | Very low | 181 Ų | 181 | 134.6 Ų | 134.6 | 95% | 0.948 | 80% | 0.796 | S | S | * | * | -144.5 | 156.2 | 116.3 | -104.6 | 170.2 | 0 | 0 | 0 | 108.8 | |||||
| 518 | S | 32.5 | Very low | 34.3 | Very low | 86 Ų | 86 | 135.8 Ų | 135.8 | 60% | 0.601 | 80% | 0.796 | S | S | * | * | trans | -111 | 163.9 | -154.6 | -50.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 519 | D | 31.6 | Very low | 34.5 | Very low | 146 Ų | 146 | 138 Ų | 138 | 78% | 0.781 | 80% | 0.796 | S | S | * | * | trans | 69.2 | 136.1 | 156.8 | -50.6 | -42.7 | 0 | 0 | 0 | 117.5 | ||||
| 520 | L | 31.6 | Very low | 34.8 | Very low | 166 Ų | 166 | 141.9 Ų | 141.9 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | cis | -128.5 | 151.8 | 14.9 | -71.4 | 163.3 | 0 | 0 | 0 | 112.9 | ||||
| 521 | T | 36 | Very low | 35.2 | Very low | 140 Ų | 140 | 143.1 Ų | 143.1 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | -106 | 125.2 | 178.6 | -61.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 522 | V | 32.3 | Very low | 35.3 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | trans | -142.7 | 124.9 | 161 | -177 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 523 | G | 30.6 | Very low | 36.4 | Very low | 55 Ų | 55 | 144 Ų | 144 | 57% | 0.567 | 80% | 0.799 | S | S | * | * | trans | 81.9 | 58.5 | 143.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 524 | S | 34.7 | Very low | 36.9 | Very low | 121 Ų | 121 | 148.9 Ų | 148.9 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | 40 | 87.9 | 140.2 | 176.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 525 | T | 36.2 | Very low | 37.7 | Very low | 137 Ų | 137 | 146.8 Ų | 146.8 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | -121.1 | 82.2 | 169.5 | 58.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 526 | V | 43.5 | Very low | 38.5 | Very low | 127 Ų | 127 | 149.6 Ų | 149.6 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | trans | -130.9 | 55.7 | 176.3 | -163.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 527 | F | 36.3 | Very low | 39.5 | Very low | 218 Ų | 218 | 150.3 Ų | 150.3 | 96% | 0.956 | 81% | 0.809 | S | S | * | * | trans | -151.4 | 83.3 | 162.6 | -80.8 | -65.8 | 0 | 0 | 0 | 110 | ||||
| 528 | K | 44.8 | Very low | 39.8 | Very low | 207 Ų | 207 | 147.7 Ų | 147.7 | 90% | 0.9 | 80% | 0.799 | S | S | * | * | trans | -154.2 | 55.8 | 173.1 | -141.5 | 174.9 | -173 | -179.7 | 0 | 115.8 | ||||
| 529 | T | 33.9 | Very low | 40.5 | Very low | 113 Ų | 113 | 151.8 Ų | 151.8 | 69% | 0.693 | 81% | 0.807 | S | S | * | * | trans | -135.7 | 135.1 | 160.3 | 52.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 530 | F | 39.9 | Very low | 41.1 | Very low | 195 Ų | 195 | 149.3 Ų | 149.3 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | cis | -132.8 | 144.3 | 2.9 | -62.9 | -94.9 | 0 | 0 | 0 | 110.7 | ||||
| 531 | L | 40.3 | Very low | 41.9 | Very low | 159 Ų | 159 | 146.4 Ų | 146.4 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -143.2 | 140.9 | 162.8 | -153.7 | 76.8 | 0 | 0 | 0 | 108.1 | E533 | L531-E533 PolarHBondContact O-N 3.31Š| ||
| 532 | P | 39.6 | Very low | 42.9 | Very low | 106 Ų | 106 | 148.6 Ų | 148.6 | 69% | 0.688 | 78% | 0.783 | S | S | * | * | trans | -64.2 | 133.9 | -171 | -26.4 | 36.6 | 0 | 0 | 0 | 114.9 | K534 L535 | P532-K534 PolarHBondContact O-N 3.09Å; P532-L535 PolarHBondContact O-N 2.84Å | ||
| 533 | E | 53.2 | Low | 44 | Very low | 169 Ų | 169 | 145.6 Ų | 145.6 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -59.2 | -20.8 | -170.4 | -164.2 | 174.4 | 175.7 | 0 | 0 | 115.1 | L531 L535 Q536 | L531-E533 PolarHBondContact O-N 3.31Å; E533-L535 VanDerWaalsContact C-N 3.31Å; E533-L535 PolarHBondContact O-N 3.21Å; E533-Q536 PolarHBondContact O-N 2.88Å |
| 534 | K | 48.5 | Very low | 45.3 | Very low | 201 Ų | 201 | 144.8 Ų | 144.8 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -82.2 | 6.1 | -176.2 | -66.7 | -167.9 | 175.8 | -176 | 0 | 115.7 | P532 | P532-K534 PolarHBondContact O-N 3.09Š|
| 535 | L | 46.8 | Very low | 46.5 | Very low | 156 Ų | 156 | 145.9 Ų | 145.9 | 82% | 0.817 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -112.2 | 19.5 | 169.5 | -70.2 | 178.1 | 0 | 0 | 0 | 113.7 | P532 E533 I537 | P532-L535 PolarHBondContact O-N 2.84Å; E533-L535 VanDerWaalsContact C-N 3.31Å; E533-L535 PolarHBondContact O-N 3.21Å; L535-I537 VanDerWaalsContact C-N 3.27Å; L535-I537 PolarHBondContact O-N 3.29Å |
| 536 | Q | 49 | Very low | 47.9 | Very low | 165 Ų | 165 | 143.7 Ų | 143.7 | 77% | 0.771 | 75% | 0.75 | S | S | * | * | trans | -88.8 | 39.3 | 176.4 | -157 | 170.4 | -14.1 | 0 | 0 | 113.8 | E533 | E533-Q536 PolarHBondContact O-N 2.88Š| ||
| 537 | I | 53.9 | Low | 48.9 | Very low | 163 Ų | 163 | 142 Ų | 142 | 84% | 0.836 | 74% | 0.735 | S | S | * | * | trans | -120.4 | 49 | 168.7 | -39.2 | -177.7 | 0 | 0 | 0 | 111.1 | L535 | L535-I537 VanDerWaalsContact C-N 3.27Å; L535-I537 PolarHBondContact O-N 3.29Å | ||
| 538 | V | 40.1 | Very low | 50.2 | Low | 125 Ų | 125 | 136.6 Ų | 136.6 | 76% | 0.758 | 71% | 0.713 | S | S | * | * | trans | -119.7 | 87.6 | 143.7 | -175.8 | 0 | 0 | 0 | 0 | 106.9 | P540 | V538-P540 WeakPolarHBondContact O-CD 3.27Š| ||
| 539 | K | 48.6 | Very low | 51 | Low | 173 Ų | 173 | 131.3 Ų | 131.3 | 75% | 0.752 | 69% | 0.691 | S | S | * | * | trans | -60.8 | 122.9 | 153.9 | -179.6 | -174.6 | 179.4 | -174.1 | 0 | 105.4 | I541 | K539-I541 PolarHBondContact O-N 3.24Š| ||
| 540 | P | 43.7 | Very low | 52.2 | Low | 93 Ų | 93 | 134.5 Ų | 134.5 | 60% | 0.604 | 69% | 0.691 | S | S | * | * | trans | -59.7 | 115.8 | 172.3 | 25 | -32.2 | 0 | 0 | 0 | 107.6 | V538 E542 | V538-P540 WeakPolarHBondContact O-CD 3.27Å; P540-E542 PolarHBondContact O-N 2.84Å | ||
| 541 | I | 47.9 | Very low | 53.7 | Low | 106 Ų | 106 | 130.5 Ų | 130.5 | 54% | 0.544 | 68% | 0.675 | S | S | . | * | trans | -84.2 | 56.1 | -175.6 | 46.6 | 174.7 | 0 | 0 | 0 | 111.5 | K539 G543 S544 L547 | K539-I541 PolarHBondContact O-N 3.24Å; I541-G543 PolarHBondContact O-N 3.12Å; I541-S544 PolarHBondContact O-N 3.38Å; I541-S544 PolarHBondContact O-OG 2.79Å; I541-L547 HydrophobicContact CD1-CD1 3.94Å; I541-L547 HydrophobicContact CG1-CD1 4.38Å | ||
| 542 | E | 57.7 | Low | 54.8 | Low | 186 Ų | 186 | 127.7 Ų | 127.7 | 87% | 0.869 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.5 | 120 | 153.9 | -67.4 | -175.8 | 117.5 | 0 | 0 | 108.1 | P540 | P540-E542 PolarHBondContact O-N 2.84Š|
| 543 | G | 54 | Low | 55.7 | Low | 82 Ų | 82 | 126.2 Ų | 126.2 | 85% | 0.845 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 102.4 | 2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | I541 L545 | I541-G543 PolarHBondContact O-N 3.12Å; G543-L545 PolarHBondContact O-N 2.89Å; G543-L545 VanDerWaalsContact O-N 3.09Å |
| 544 | S | 59.7 | Low | 55.9 | Low | 39 Ų | 39 | 121.8 Ų | 121.8 | 27% | 0.273 | 64% | 0.636 | S | S | . | * | trans | -77.6 | 92.5 | 166 | 57.4 | 0 | 0 | 0 | 0 | 110.8 | I541 T546 L547 H548 | I541-S544 PolarHBondContact O-N 3.38Å; I541-S544 PolarHBondContact O-OG 2.79Å; S544-T546 PolarHBondContact O-N 3.24Å; S544-T546 VanDerWaalsContact O-N 3.08Å; S544-L547 PolarHBondContact O-N 3.03Å; S544-L547 VanDerWaalsContact OG-CB 3.26Å; S544-L547 WeakPolarHBondContact OG-CB 3.49Å; S544-H548 PolarHBondContact O-N 3.08Å | ||
| 545 | L | 59.5 | Low | 56.3 | Low | 143 Ų | 143 | 116.9 Ų | 116.9 | 75% | 0.749 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -49.2 | -36.2 | 176.7 | -173.9 | 70.9 | 0 | 0 | 0 | 112 | G543 H548 H549 | G543-L545 PolarHBondContact O-N 2.89Å; G543-L545 VanDerWaalsContact O-N 3.09Å; L545-H548 PolarHBondContact O-N 3.33Å; L545-H549 WeakPolarHBondContact O-CB 3.25Å; L545-H549 PolarHBondContact O-N 2.85Å |
| 546 | T | 64.6 | Low | 56.2 | Low | 92 Ų | 92 | 115.8 Ų | 115.8 | 56% | 0.564 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -58 | -46.4 | 173.3 | -41.7 | 0 | 0 | 0 | 0 | 112.9 | S544 H549 W550 | S544-T546 PolarHBondContact O-N 3.24Å; S544-T546 VanDerWaalsContact O-N 3.08Å; T546-H549 PolarHBondContact O-N 3.23Å; T546-W550 WeakPolarHBondContact O-CB 3.36Å; T546-W550 PolarHBondContact O-N 2.9Å |
| 547 | L | 64.4 | Low | 56.3 | Low | 90 Ų | 90 | 113.2 Ų | 113.2 | 47% | 0.471 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -68 | -39.3 | -178.5 | -167.4 | 153.1 | 0 | 0 | 0 | 110.8 | I541 S544 W550 Q551 | I541-L547 HydrophobicContact CD1-CD1 3.94Å; I541-L547 HydrophobicContact CG1-CD1 4.38Å; S544-L547 PolarHBondContact O-N 3.03Å; S544-L547 VanDerWaalsContact OG-CB 3.26Å; S544-L547 WeakPolarHBondContact OG-CB 3.49Å; L547-W550 PolarHBondContact O-N 2.82Å; L547-Q551 WeakPolarHBondContact O-CB 3.45Å; L547-Q551 PolarHBondContact O-N 3.18Å |
| 548 | H | 64.8 | Low | 56.3 | Low | 106 Ų | 106 | 112.8 Ų | 112.8 | 49% | 0.491 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -60.8 | -45.8 | 172.2 | -172.8 | -80.7 | 0 | 0 | 0 | 111.9 | S544 L545 Q551 Q552 | S544-H548 PolarHBondContact O-N 3.08Å; L545-H548 PolarHBondContact O-N 3.33Å; H548-Q551 PolarHBondContact O-N 2.94Å; H548-Q552 PolarHBondContact CE1-OE1 3.39Å; H548-Q552 VanDerWaalsContact CE1-OE1 3.31Å; H548-Q552 PolarHBondContact ND1-OE1 3.23Å; H548-Q552 WeakPolarHBondContact O-CG 3.45Å; H548-Q552 PolarHBondContact O-N 2.89Å |
| 549 | H | 60.1 | Low | 56.9 | Low | 96 Ų | 96 | 109.3 Ų | 109.3 | 44% | 0.444 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.7 | -44.2 | 178.1 | 179.4 | 51 | 0 | 0 | 0 | 112.3 | L545 T546 Q551 Q552 L553 | L545-H549 WeakPolarHBondContact O-CB 3.25Å; L545-H549 PolarHBondContact O-N 2.85Å; T546-H549 PolarHBondContact O-N 3.23Å; H549-Q551 VanDerWaalsContact C-N 3.34Å; H549-Q552 PolarHBondContact O-N 3.01Å; H549-L553 WeakPolarHBondContact O-CG 3.25Å; H549-L553 PolarHBondContact O-N 3.31Å |
| 550 | W | 59.7 | Low | 57.1 | Low | 180 Ų | 180 | 104.5 Ų | 104.5 | 68% | 0.682 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.1 | -33.1 | 175.3 | -77.4 | 58.2 | 0 | 0 | 0 | 112.1 | T546 L547 L553 A554 | T546-W550 WeakPolarHBondContact O-CB 3.36Å; T546-W550 PolarHBondContact O-N 2.9Å; L547-W550 PolarHBondContact O-N 2.82Å; W550-L553 PolarHBondContact O-N 2.82Å; W550-A554 VanDerWaalsContact O-CB 3.25Å; W550-A554 WeakPolarHBondContact O-CB 3.36Å; W550-A554 PolarHBondContact O-N 2.97Å |
| 551 | Q | 71.3 | Confident | 57.6 | Low | 111 Ų | 111 | 104.6 Ų | 104.6 | 52% | 0.519 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.3 | -36.3 | 173.2 | -172.7 | 173.2 | 6.8 | 0 | 0 | 112 | L547 H548 H549 A554 Q555 | L547-Q551 WeakPolarHBondContact O-CB 3.45Å; L547-Q551 PolarHBondContact O-N 3.18Å; H548-Q551 PolarHBondContact O-N 2.94Å; H549-Q551 VanDerWaalsContact C-N 3.34Å; Q551-A554 PolarHBondContact O-N 3.02Å; Q551-Q555 WeakPolarHBondContact O-CG 3.34Å; Q551-Q555 PolarHBondContact O-N 2.93Å |
| 552 | Q | 63.8 | Low | 57.8 | Low | 100 Ų | 100 | 106.5 Ų | 106.5 | 47% | 0.467 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.8 | -45.7 | 171.3 | -72.7 | 177.1 | -69 | 0 | 0 | 111.6 | H548 H549 A554 Q555 | H548-Q552 PolarHBondContact CE1-OE1 3.39Å; H548-Q552 VanDerWaalsContact CE1-OE1 3.31Å; H548-Q552 PolarHBondContact ND1-OE1 3.23Å; H548-Q552 WeakPolarHBondContact O-CG 3.45Å; H548-Q552 PolarHBondContact O-N 2.89Å; H549-Q552 PolarHBondContact O-N 3.01Å; Q552-A554 PolarHBondContact O-N 3.24Å; Q552-Q555 PolarHBondContact O-N 2.92Å |
| 553 | L | 59.4 | Low | 57.5 | Low | 74 Ų | 74 | 102.9 Ų | 102.9 | 39% | 0.387 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62 | -25.5 | 174.8 | -69.7 | 170.3 | 0 | 0 | 0 | 113 | H549 W550 | H549-L553 WeakPolarHBondContact O-CG 3.25Å; H549-L553 PolarHBondContact O-N 3.31Å; W550-L553 PolarHBondContact O-N 2.82Å |
| 554 | A | 57.3 | Low | 57.4 | Low | 77 Ų | 77 | 104.8 Ų | 104.8 | 64% | 0.636 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -1.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | W550 Q551 Q552 | W550-A554 VanDerWaalsContact O-CB 3.25Å; W550-A554 WeakPolarHBondContact O-CB 3.36Å; W550-A554 PolarHBondContact O-N 2.97Å; Q551-A554 PolarHBondContact O-N 3.02Å; Q552-A554 PolarHBondContact O-N 3.24Å |
| 555 | Q | 55.1 | Low | 57 | Low | 98 Ų | 98 | 107.7 Ų | 107.7 | 46% | 0.458 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -76.9 | 122.3 | 172.8 | -80.6 | 174.2 | -4.7 | 0 | 0 | 110 | Q551 Q552 H557 | Q551-Q555 WeakPolarHBondContact O-CG 3.34Å; Q551-Q555 PolarHBondContact O-N 2.93Å; Q552-Q555 PolarHBondContact O-N 2.92Å; Q555-H557 PolarHBondContact O-N 3.38Å; Q555-H557 PolarHBondContact O-ND1 3.1Å |
| 556 | P | 45.7 | Very low | 56.5 | Low | 133 Ų | 133 | 107.1 Ų | 107.1 | 86% | 0.864 | 58% | 0.577 | S | S | * | * | trans | -72.7 | 90.1 | -173.9 | 29.7 | -35.5 | 0 | 0 | 0 | 111.7 | ||||
| 557 | H | 50.9 | Low | 56 | Low | 111 Ų | 111 | 106.7 Ų | 106.7 | 51% | 0.514 | 59% | 0.591 | S | S | . | * | trans | -99.7 | 131.6 | 170.6 | -65.3 | 86.6 | 0 | 0 | 0 | 109.7 | Q555 A559 T560 | Q555-H557 PolarHBondContact O-N 3.38Å; Q555-H557 PolarHBondContact O-ND1 3.1Å; H557-A559 PolarHBondContact O-N 2.97Å; H557-T560 PolarHBondContact O-N 3Å; H557-T560 PolarHBondContact O-OG1 3.38Å; H557-T560 VanDerWaalsContact O-OG1 3.1Å | ||
| 558 | L | 54.3 | Low | 55.4 | Low | 153 Ų | 153 | 106.3 Ų | 106.3 | 80% | 0.801 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -60.3 | -16.5 | -178.8 | -69.3 | 164.6 | 0 | 0 | 0 | 113.8 | T560 I561 | L558-T560 VanDerWaalsContact C-N 3.27Å; L558-T560 PolarHBondContact O-N 2.95Å; L558-I561 PolarHBondContact O-N 2.72Å |
| 559 | A | 52.8 | Low | 55 | Low | 53 Ų | 53 | 106.9 Ų | 106.9 | 44% | 0.438 | 60% | 0.603 | S | S | . | * | G | 310 helix | trans | -62.9 | -24.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | H557 I561 L562 D563 | H557-A559 PolarHBondContact O-N 2.97Å; A559-I561 PolarHBondContact O-N 3.06Å; A559-I561 VanDerWaalsContact O-N 3.09Å; A559-L562 PolarHBondContact O-N 2.9Å; A559-D563 PolarHBondContact O-N 3.46Å |
| 560 | T | 52.1 | Low | 54.8 | Low | 71 Ų | 71 | 105.5 Ų | 105.5 | 44% | 0.436 | 60% | 0.601 | S | S | . | * | G | 310 helix | trans | -70.4 | -2.5 | 178.7 | 51.3 | 0 | 0 | 0 | 0 | 114.4 | H557 L558 | H557-T560 PolarHBondContact O-N 3Å; H557-T560 PolarHBondContact O-OG1 3.38Å; H557-T560 VanDerWaalsContact O-OG1 3.1Å; L558-T560 VanDerWaalsContact C-N 3.27Å; L558-T560 PolarHBondContact O-N 2.95Å |
| 561 | I | 54.1 | Low | 54.2 | Low | 96 Ų | 96 | 105.8 Ų | 105.8 | 49% | 0.492 | 61% | 0.608 | S | S | . | * | G | 310 helix | trans | -88.3 | -21.5 | 169 | -68.4 | 170.4 | 0 | 0 | 0 | 111.6 | L558 A559 F573 | L558-I561 PolarHBondContact O-N 2.72Å; A559-I561 PolarHBondContact O-N 3.06Å; A559-I561 VanDerWaalsContact O-N 3.09Å; I561-F573 HydrophobicContact CG1-CZ 4.33Å; I561-F573 HydrophobicContact CG2-CE1 3.95Å; I561-F573 HydrophobicContact CG2-CZ 3.89Å |
| 562 | L | 52.8 | Low | 53.3 | Low | 145 Ų | 145 | 104.1 Ų | 104.1 | 76% | 0.759 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | -40.9 | -171 | -60.5 | 177 | 0 | 0 | 0 | 113.1 | A559 | A559-L562 PolarHBondContact O-N 2.9Š|
| 563 | D | 51.6 | Low | 52.3 | Low | 111 Ų | 111 | 105.1 Ų | 105.1 | 59% | 0.594 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -109.9 | 115.6 | 179 | -81.1 | -47.2 | 0 | 0 | 0 | 111.9 | A559 H565 | A559-D563 PolarHBondContact O-N 3.46Å; D563-H565 PolarHBondContact O-N 3.14Å; D563-H565 VanDerWaalsContact O-N 3.1Å |
| 564 | P | 51.7 | Low | 51.7 | Low | 122 Ų | 122 | 112 Ų | 112 | 79% | 0.792 | 64% | 0.644 | S | S | * | * | trans | -64.9 | 108.6 | 179.6 | -22.7 | 34.1 | 0 | 0 | 0 | 113.2 | ||||
| 565 | H | 51.6 | Low | 51 | Low | 99 Ų | 99 | 114 Ų | 114 | 46% | 0.458 | 65% | 0.651 | S | S | . | * | trans | -76.7 | 125.6 | 174.1 | -100.1 | 59.3 | 0 | 0 | 0 | 111.8 | D563 G567 V568 | D563-H565 PolarHBondContact O-N 3.14Å; D563-H565 VanDerWaalsContact O-N 3.1Å; H565-G567 PolarHBondContact O-N 3.01Å; H565-G567 VanDerWaalsContact O-N 3.13Å; H565-V568 PolarHBondContact O-N 3.44Å; H565-V568 VanDerWaalsContact O-N 3.14Å | ||
| 566 | P | 48.9 | Very low | 50.3 | Low | 131 Ų | 131 | 116.8 Ų | 116.8 | 85% | 0.851 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | 118.9 | -179 | -26.9 | 35.4 | 0 | 0 | 0 | 112.8 | ||
| 567 | G | 54.6 | Low | 50 | Low | 84 Ų | 84 | 114.8 Ų | 114.8 | 87% | 0.866 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 96.4 | -3.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | H565 | H565-G567 PolarHBondContact O-N 3.01Å; H565-G567 VanDerWaalsContact O-N 3.13Å |
| 568 | V | 51.8 | Low | 49.7 | Very low | 82 Ų | 82 | 118.6 Ų | 118.6 | 50% | 0.497 | 68% | 0.68 | S | S | . | * | trans | -118.4 | 118.7 | 174.6 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | H565 | H565-V568 PolarHBondContact O-N 3.44Å; H565-V568 VanDerWaalsContact O-N 3.14Å | ||
| 569 | V | 56.2 | Low | 49.1 | Very low | 117 Ų | 117 | 118.5 Ų | 118.5 | 71% | 0.709 | 68% | 0.681 | S | S | * | * | trans | -123.8 | 118.8 | -178.8 | -176.7 | 0 | 0 | 0 | 0 | 110.1 | K571 | V569-K571 PolarHBondContact O-N 3.35Š| ||
| 570 | T | 55.7 | Low | 48.3 | Very low | 67 Ų | 67 | 119.5 Ų | 119.5 | 41% | 0.411 | 69% | 0.689 | S | S | . | * | trans | -79.2 | 109.5 | 177.5 | 42.2 | 0 | 0 | 0 | 0 | 110.6 | G572 F573 | T570-G572 PolarHBondContact O-N 2.99Å; T570-F573 PolarHBondContact O-N 3.46Å; T570-F573 VanDerWaalsContact O-N 3.13Å; T570-F573 WeakPolarHBondContact OG1-CD2 3.38Å | ||
| 571 | K | 46 | Very low | 47.4 | Very low | 186 Ų | 186 | 123.4 Ų | 123.4 | 81% | 0.809 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | 104 | -180 | -175.5 | 179.1 | 179.2 | 179.5 | 0 | 110.4 | V569 | V569-K571 PolarHBondContact O-N 3.35Š|
| 572 | G | 52 | Low | 46.5 | Very low | 76 Ų | 76 | 128.3 Ų | 128.3 | 78% | 0.784 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 134.5 | -22.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | T570 R574 | T570-G572 PolarHBondContact O-N 2.99Å; G572-R574 PolarHBondContact O-N 3.15Å |
| 573 | F | 43.5 | Very low | 45.6 | Very low | 121 Ų | 121 | 125.9 Ų | 125.9 | 53% | 0.531 | 71% | 0.707 | S | S | . | * | trans | -79.2 | 104.6 | 176.3 | -87 | -98.9 | 0 | 0 | 0 | 111.6 | I561 T570 | I561-F573 HydrophobicContact CG1-CZ 4.33Å; I561-F573 HydrophobicContact CG2-CE1 3.95Å; I561-F573 HydrophobicContact CG2-CZ 3.89Å; T570-F573 PolarHBondContact O-N 3.46Å; T570-F573 VanDerWaalsContact O-N 3.13Å; T570-F573 WeakPolarHBondContact OG1-CD2 3.38Å | ||
| 574 | R | 47.3 | Very low | 44.9 | Very low | 219 Ų | 219 | 129.2 Ų | 129.2 | 83% | 0.826 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 124 | 151.3 | -161.6 | -175.9 | -154.8 | -161 | 7.2 | 106.3 | G572 L576 | G572-R574 PolarHBondContact O-N 3.15Å; R574-L576 PolarHBondContact O-N 3.48Å; R574-L576 VanDerWaalsContact O-N 3.14Å |
| 575 | P | 41.8 | Very low | 44.3 | Very low | 119 Ų | 119 | 127.1 Ų | 127.1 | 77% | 0.773 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 121.8 | 170.5 | -22.5 | 33.3 | 0 | 0 | 0 | 108.7 | A577 | P575-A577 PolarHBondContact O-N 3.47Š|
| 576 | L | 41.8 | Very low | 43.5 | Very low | 157 Ų | 157 | 130.1 Ų | 130.1 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 130.7 | 165.3 | -85.6 | 77.3 | 0 | 0 | 0 | 106.9 | R574 Q578 | R574-L576 PolarHBondContact O-N 3.48Å; R574-L576 VanDerWaalsContact O-N 3.14Å; L576-Q578 PolarHBondContact O-N 3.3Å |
| 577 | A | 37.7 | Very low | 43 | Very low | 90 Ų | 90 | 130.1 Ų | 130.1 | 74% | 0.744 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 123.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | P575 D579 | P575-A577 PolarHBondContact O-N 3.47Å; A577-D579 PolarHBondContact O-N 3.32Å |
| 578 | Q | 44.9 | Very low | 42.4 | Very low | 191 Ų | 191 | 135.8 Ų | 135.8 | 89% | 0.893 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -76.8 | 70.3 | 176.8 | -72.2 | 178.5 | -23.3 | 0 | 0 | 110 | L576 | L576-Q578 PolarHBondContact O-N 3.3Š|
| 579 | D | 42.6 | Very low | 41.5 | Very low | 151 Ų | 151 | 139.1 Ų | 139.1 | 81% | 0.807 | 74% | 0.736 | S | S | * | * | trans | -166.1 | 86.7 | 149.7 | -102.1 | -27.3 | 0 | 0 | 0 | 110.3 | A577 | A577-D579 PolarHBondContact O-N 3.32Š| ||
| 580 | A | 34.8 | Very low | 40.9 | Very low | 74 Ų | 74 | 141.7 Ų | 141.7 | 61% | 0.612 | 75% | 0.746 | S | S | * | * | trans | -150.7 | 69.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | F582 | A580-F582 VanDerWaalsContact C-N 3.31Å; A580-F582 HydrophobicContact CB-CE2 4.48Å; A580-F582 PolarHBondContact O-N 3.31Å | ||
| 581 | M | 34.9 | Very low | 40.4 | Very low | 153 Ų | 153 | 147.5 Ų | 147.5 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | -66.4 | 93.4 | 168.1 | -72.9 | -169.7 | -178.9 | 0 | 0 | 109 | Q583 | M581-Q583 PolarHBondContact O-N 3.17Š| ||
| 582 | F | 35.1 | Very low | 39.9 | Very low | 199 Ų | 199 | 146.8 Ų | 146.8 | 87% | 0.873 | 77% | 0.767 | S | S | * | * | trans | -68.2 | 82.1 | 159.9 | -80.7 | -78.3 | 0 | 0 | 0 | 108.6 | A580 L584 | A580-F582 VanDerWaalsContact C-N 3.31Å; A580-F582 HydrophobicContact CB-CE2 4.48Å; A580-F582 PolarHBondContact O-N 3.31Å; F582-L584 PolarHBondContact O-N 2.94Å | ||
| 583 | Q | 33.7 | Very low | 38.9 | Very low | 94 Ų | 94 | 146.6 Ų | 146.6 | 44% | 0.439 | 76% | 0.759 | S | S | . | * | trans | -68.7 | 121.8 | 173.1 | 172.6 | 150.6 | 36.2 | 0 | 0 | 108.5 | R126 M581 S585 | R126-Q583 VanDerWaalsContact NH2-NE2 3.11Å; M581-Q583 PolarHBondContact O-N 3.17Å; Q583-S585 VanDerWaalsContact CG-OG 3.29Å; Q583-S585 WeakPolarHBondContact CG-OG 3.18Å; Q583-S585 PolarHBondContact O-N 2.93Å | ||
| 584 | L | 35.8 | Very low | 38.3 | Very low | 182 Ų | 182 | 149.5 Ų | 149.5 | 95% | 0.953 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -72.2 | 64.6 | 172 | -69.7 | 167.3 | 0 | 0 | 0 | 109.8 | F582 | F582-L584 PolarHBondContact O-N 2.94Š|
| 585 | S | 39.3 | Very low | 37.5 | Very low | 78 Ų | 78 | 148.2 Ų | 148.2 | 55% | 0.545 | 78% | 0.777 | S | S | . | * | trans | -157.6 | 33.5 | -179.9 | -37.9 | 0 | 0 | 0 | 0 | 111.1 | Q583 | Q583-S585 VanDerWaalsContact CG-OG 3.29Å; Q583-S585 WeakPolarHBondContact CG-OG 3.18Å; Q583-S585 PolarHBondContact O-N 2.93Å | ||
| 586 | D | 35.1 | Very low | 36.9 | Very low | 162 Ų | 162 | 150.3 Ų | 150.3 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | trans | -83.5 | 108.4 | 156.9 | -162.8 | 12.4 | 0 | 0 | 0 | 105.7 | ||||
| 587 | M | 39.2 | Very low | 36.2 | Very low | 131 Ų | 131 | 152.4 Ų | 152.4 | 65% | 0.645 | 77% | 0.773 | S | S | * | * | trans | -100.9 | 108.3 | -178.5 | -80.7 | -169.5 | 61.8 | 0 | 0 | 109.3 | E589 | M587-E589 HydrophobicContact CE-CB 4.37Å; M587-E589 WeakPolarHBondContact CE-OE2 3.38Å; M587-E589 PolarHBondContact O-N 3.43Å; M587-E589 VanDerWaalsContact O-N 3.09Å | ||
| 588 | E | 41.2 | Very low | 35.7 | Very low | 203 Ų | 203 | 154.4 Ų | 154.4 | 95% | 0.949 | 77% | 0.768 | S | S | * | * | trans | -68.2 | 92.6 | 160.6 | -178.6 | 176.5 | -150.7 | 0 | 0 | 108.2 | ||||
| 589 | E | 33.8 | Very low | 34.8 | Very low | 152 Ų | 152 | 151.4 Ų | 151.4 | 71% | 0.71 | 76% | 0.762 | S | S | * | * | trans | -146.4 | 99.6 | 178.8 | -165.6 | 162.5 | -119.5 | 0 | 0 | 110.8 | M587 | M587-E589 HydrophobicContact CE-CB 4.37Å; M587-E589 WeakPolarHBondContact CE-OE2 3.38Å; M587-E589 PolarHBondContact O-N 3.43Å; M587-E589 VanDerWaalsContact O-N 3.09Å | ||
| 590 | D | 43.8 | Very low | 33.9 | Very low | 171 Ų | 171 | 148.7 Ų | 148.7 | 91% | 0.914 | 76% | 0.761 | S | S | * | * | trans | -116.7 | 138.6 | 164.5 | -99.8 | -28.5 | 0 | 0 | 0 | 107.6 | ||||
| 591 | E | 44.8 | Very low | 33.6 | Very low | 189 Ų | 189 | 149.9 Ų | 149.9 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | -82 | 155.3 | 179.1 | -59.6 | -176.9 | 115.3 | 0 | 0 | 112.2 | ||||
| 592 | E | 34.3 | Very low | 33.1 | Very low | 170 Ų | 170 | 150.2 Ų | 150.2 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | cis | -143.8 | -169.6 | 4.9 | -143.8 | -136.8 | 129.7 | 0 | 0 | 107 | ||||
| 593 | A | 31.3 | Very low | 32.7 | Very low | 73 Ų | 73 | 147.6 Ų | 147.6 | 60% | 0.603 | 77% | 0.765 | S | S | * | * | cis | -161.4 | -150.8 | 22.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 594 | E | 30.3 | Very low | 32.2 | Very low | 181 Ų | 181 | 151.5 Ų | 151.5 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | -39.7 | 152.5 | 164.9 | -55.9 | -173.1 | 128.4 | 0 | 0 | 114.8 | ||||
| 595 | E | 30.8 | Very low | 31.7 | Very low | 192 Ų | 192 | 145.9 Ų | 145.9 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | cis | -142.5 | 178.9 | 42.8 | -149.3 | -171.2 | 153.4 | 0 | 0 | 114.4 | ||||
| 596 | H | 29 | Very low | 31.1 | Very low | 163 Ų | 163 | 148.8 Ų | 148.8 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -85.8 | 150 | -163.3 | -83 | -41.1 | 0 | 0 | 0 | 118 | ||||
| 597 | R | 28.2 | Very low | 30.6 | Very low | 201 Ų | 201 | 146 Ų | 146 | 76% | 0.758 | 78% | 0.78 | S | S | * | * | trans | 80.6 | 116 | 138 | -82.2 | -174.3 | -160.3 | -98.8 | 4.5 | 123.1 | ||||
| 598 | E | 27.3 | Very low | 30.1 | Very low | 133 Ų | 133 | 146.8 Ų | 146.8 | 62% | 0.621 | 78% | 0.783 | S | S | * | * | 61.3 | 106.6 | 114.7 | -67.4 | -173.7 | 109.7 | 0 | 0 | 122.7 | |||||
| 599 | T | 25 | Very low | 29.3 | Very low | 128 Ų | 128 | 145 Ų | 145 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | 85.3 | 160.8 | 122.6 | 67.6 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 600 | A | 25.4 | Very low | 29 | Very low | 93 Ų | 93 | 141.5 Ų | 141.5 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | 69.1 | 102.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 601 | A | 26.8 | Very low | 28.2 | Very low | 99 Ų | 99 | 141.8 Ų | 141.8 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | cis | 94.9 | 116 | 36.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 602 | L | 26 | Very low | 27.3 | Very low | 160 Ų | 160 | 140.2 Ų | 140.2 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | trans | 69.5 | 131 | 143.8 | -149.1 | 79.3 | 0 | 0 | 0 | 121.3 | ||||
| 603 | E | 25.3 | Very low | 27 | Very low | 145 Ų | 145 | 140.4 Ų | 140.4 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | trans | 69.4 | 137.7 | 154 | -109.3 | -164 | -163.7 | 0 | 0 | 117.3 | ||||
| 604 | K | 24.2 | Very low | 26.9 | Very low | 176 Ų | 176 | 143.9 Ų | 143.9 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | cis | 175.3 | 146 | 38.3 | -162.2 | -176.1 | -158.9 | 78.7 | 0 | 108.2 | ||||
| 605 | G | 25.6 | Very low | 26.8 | Very low | 64 Ų | 64 | 141.6 Ų | 141.6 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | trans | 141.6 | 89 | 154.2 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 606 | T | 26.2 | Very low | 26.8 | Very low | 138 Ų | 138 | 140.7 Ų | 140.7 | 85% | 0.847 | 76% | 0.76 | S | S | * | * | trans | 50.5 | 117.4 | 134.7 | 56.2 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 607 | A | 25.3 | Very low | 26.9 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | trans | 64.6 | 153.4 | 140.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 608 | E | 26.9 | Very low | 27.1 | Very low | 148 Ų | 148 | 141.1 Ų | 141.1 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | cis | -149.5 | 158 | 10.6 | -150.1 | -151.8 | 180 | 0 | 0 | 112 | ||||
| 609 | K | 25.5 | Very low | 27.3 | Very low | 167 Ų | 167 | 144.3 Ų | 144.3 | 73% | 0.726 | 79% | 0.786 | S | S | * | * | trans | 42.4 | 109.3 | 144.4 | -172.9 | -169.3 | -65.8 | 131.3 | 0 | 120 | ||||
| 610 | G | 26.3 | Very low | 27.7 | Very low | 77 Ų | 77 | 147.5 Ų | 147.5 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | -154.4 | 142.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 611 | K | 27 | Very low | 27.8 | Very low | 178 Ų | 178 | 149.1 Ų | 149.1 | 77% | 0.774 | 80% | 0.796 | S | S | * | * | trans | -104.5 | 173.4 | -169.6 | -62.1 | 173.9 | 75 | -148.3 | 0 | 113.3 | ||||
| 612 | E | 27.2 | Very low | 28 | Very low | 155 Ų | 155 | 147.7 Ų | 147.7 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | trans | 96.3 | 154.6 | 147.1 | -89.2 | 136.7 | -120.6 | 0 | 0 | 119.5 | ||||
| 613 | E | 27.2 | Very low | 28.3 | Very low | 174 Ų | 174 | 147.6 Ų | 147.6 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | -110.8 | 161.4 | -157.5 | -59.3 | 161.3 | 139.6 | 0 | 0 | 110.5 | ||||
| 614 | L | 29.6 | Very low | 28.3 | Very low | 147 Ų | 147 | 147.1 Ų | 147.1 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | 160.6 | 113.7 | 124.1 | -83.8 | 164.8 | 0 | 0 | 0 | 112 | |||||
| 615 | D | 28.7 | Very low | 28.4 | Very low | 132 Ų | 132 | 147.5 Ų | 147.5 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | 52.4 | 163.2 | 123.4 | -56.8 | -5.3 | 0 | 0 | 0 | 123.9 | |||||
| 616 | E | 31.3 | Very low | 28.3 | Very low | 173 Ų | 173 | 152.6 Ų | 152.6 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | trans | 68.9 | 134 | 167.1 | -68.3 | 163.5 | -150.6 | 0 | 0 | 117.7 | ||||
| 617 | E | 30.7 | Very low | 28.4 | Very low | 183 Ų | 183 | 151.6 Ų | 151.6 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | cis | -159.8 | 176.3 | -14.2 | -131.3 | 172.2 | -162.4 | 0 | 0 | 109.4 | ||||
| 618 | E | 30.9 | Very low | 28.5 | Very low | 191 Ų | 191 | 158.4 Ų | 158.4 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | trans | -93.9 | 132.6 | 178.1 | -59.8 | 179.6 | 140.8 | 0 | 0 | 111.7 | ||||
| 619 | E | 33.2 | Very low | 28.5 | Very low | 200 Ų | 200 | 157 Ų | 157 | 94% | 0.935 | 81% | 0.813 | S | S | * | * | trans | -131.3 | 146.2 | 165.4 | -81.6 | -153.1 | 140 | 0 | 0 | 114.3 | ||||
| 620 | E | 31.8 | Very low | 28.6 | Very low | 195 Ų | 195 | 154.9 Ų | 154.9 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | trans | -101.5 | 114.9 | -162.3 | -174.8 | 179.1 | 178.5 | 0 | 0 | 112.1 | G622 | E620-G622 PolarHBondContact O-N 2.95Š| ||
| 621 | C | 28.3 | Very low | 28.7 | Very low | 126 Ų | 126 | 156.9 Ų | 156.9 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | trans | -75.1 | 83.1 | -178 | -76.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 622 | G | 30.8 | Very low | 29.3 | Very low | 70 Ų | 70 | 154.1 Ų | 154.1 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -70 | 125 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E620 | E620-G622 PolarHBondContact O-N 2.95Š|
| 623 | I | 31.5 | Very low | 29.9 | Very low | 158 Ų | 158 | 152.9 Ų | 152.9 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 124 | -176.5 | -51.5 | 174.1 | 0 | 0 | 0 | 110.7 | ||
| 624 | T | 26.4 | Very low | 30.1 | Very low | 135 Ų | 135 | 153.5 Ų | 153.5 | 83% | 0.828 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 152 | 177.7 | 49.2 | 0 | 0 | 0 | 0 | 112.8 | ||
| 625 | F | 25.8 | Very low | 30.3 | Very low | 183 Ų | 183 | 153.3 Ų | 153.3 | 80% | 0.803 | 83% | 0.827 | S | S | * | * | trans | -130.9 | 125.9 | 175.8 | 46.4 | -94.2 | 0 | 0 | 0 | 111.6 | ||||
| 626 | N | 24.8 | Very low | 30.4 | Very low | 171 Ų | 171 | 156.1 Ų | 156.1 | 91% | 0.914 | 83% | 0.828 | S | S | * | * | trans | -83.9 | 135.6 | 173.9 | -84.1 | -44.6 | 0 | 0 | 0 | 111 | ||||
| 627 | V | 28.1 | Very low | 30.3 | Very low | 118 Ų | 118 | 153.7 Ų | 153.7 | 72% | 0.715 | 82% | 0.821 | S | S | * | * | trans | -129.3 | 117.6 | 167.8 | 179.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 628 | R | 26.3 | Very low | 30.3 | Very low | 246 Ų | 246 | 153.7 Ų | 153.7 | 93% | 0.928 | 82% | 0.82 | S | S | * | * | trans | -105.1 | 109.2 | -179.9 | -168.1 | 179.7 | -166.1 | 170.2 | 5.5 | 109.8 | ||||
| 629 | C | 27.8 | Very low | 30.9 | Very low | 117 Ų | 117 | 150.3 Ų | 150.3 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 130.1 | 166.4 | -63.8 | 0 | 0 | 0 | 0 | 108.8 | ||
| 630 | S | 27.3 | Very low | 30.6 | Very low | 123 Ų | 123 | 147.9 Ų | 147.9 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 129.3 | 172.4 | 48.2 | 0 | 0 | 0 | 0 | 110.9 | ||
| 631 | S | 29 | Very low | 30.5 | Very low | 119 Ų | 119 | 142.5 Ų | 142.5 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 173.7 | 178.8 | 46.6 | 0 | 0 | 0 | 0 | 113 | ||
| 632 | T | 39.6 | Very low | 31.3 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 155.9 | 179.1 | 47.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 633 | P | 38.1 | Very low | 31.3 | Very low | 128 Ų | 128 | 146.2 Ų | 146.2 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 139.3 | 163.3 | 34.4 | -31.5 | 0 | 0 | 0 | 112.3 | ||
| 634 | E | 32.6 | Very low | 32 | Very low | 188 Ų | 188 | 144.5 Ų | 144.5 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 165.8 | 166.9 | -62.6 | 169.3 | 88.3 | 0 | 0 | 110.5 | ||
| 635 | D | 32.8 | Very low | 32.2 | Very low | 142 Ų | 142 | 142.8 Ų | 142.8 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | -158.7 | 163.4 | 131.1 | -143.7 | -9.9 | 0 | 0 | 0 | 114.6 | ||||
| 636 | R | 31.4 | Very low | 32.3 | Very low | 192 Ų | 192 | 142.5 Ų | 142.5 | 73% | 0.725 | 80% | 0.801 | S | S | * | * | trans | -64.8 | 163.9 | -168.4 | -64.6 | 150.5 | 40.9 | -171.8 | -7.4 | 117.6 | ||||
| 637 | N | 28.7 | Very low | 32.4 | Very low | 121 Ų | 121 | 145.1 Ų | 145.1 | 65% | 0.647 | 80% | 0.798 | S | S | * | * | 171.4 | 154.2 | 96.2 | -83.1 | -64.5 | 0 | 0 | 0 | 113.2 | |||||
| 638 | H | 32 | Very low | 32.3 | Very low | 183 Ų | 183 | 143.7 Ų | 143.7 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | trans | -121.8 | 164 | 175.2 | -65.4 | -50.6 | 0 | 0 | 0 | 111.2 | ||||
| 639 | P | 42.5 | Very low | 32.3 | Very low | 121 Ų | 121 | 139 Ų | 139 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | -153.8 | 148.2 | 112.1 | 34.3 | -15 | 0 | 0 | 0 | 119.1 | |||||
| 640 | V | 26.9 | Very low | 32.4 | Very low | 148 Ų | 148 | 138.7 Ų | 138.7 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | trans | 77.3 | 145.2 | 143.7 | 173.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 641 | A | 30.6 | Very low | 33.4 | Very low | 82 Ų | 82 | 138.9 Ų | 138.9 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | trans | -123 | -174 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 642 | P | 45.4 | Very low | 33.2 | Very low | 121 Ų | 121 | 137 Ų | 137 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | -154.6 | 149 | 94 | 38.9 | -20.2 | 0 | 0 | 0 | 118.8 | |||||
| 643 | L | 30.3 | Very low | 32.8 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | trans | 33 | 158.1 | 132.6 | -73 | 168.1 | 0 | 0 | 0 | 122.8 | ||||
| 644 | P | 46.5 | Very low | 33.5 | Very low | 123 Ų | 123 | 135.1 Ų | 135.1 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | cis | -141.5 | 178.8 | 30.3 | 42.9 | -23.3 | 0 | 0 | 0 | 118.9 | ||||
| 645 | S | 29.3 | Very low | 33.5 | Very low | 98 Ų | 98 | 131 Ų | 131 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | trans | -94.8 | 172.5 | 177.2 | -35.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 646 | I | 28.3 | Very low | 33.4 | Very low | 178 Ų | 178 | 130.4 Ų | 130.4 | 91% | 0.913 | 78% | 0.78 | S | S | * | * | trans | -162.7 | 166.9 | 142.5 | -106.7 | 156.2 | 0 | 0 | 0 | 111.6 | ||||
| 647 | R | 26.6 | Very low | 33.3 | Very low | 226 Ų | 226 | 126.7 Ų | 126.7 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -140.7 | 157 | -164.9 | -166.9 | -156.9 | -135.4 | -175.1 | 6.4 | 111.4 | ||||
| 648 | S | 26.2 | Very low | 33.4 | Very low | 88 Ų | 88 | 125.2 Ų | 125.2 | 62% | 0.615 | 78% | 0.783 | S | S | * | * | trans | 102.7 | 142.9 | 144.3 | -33.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 649 | T | 26.3 | Very low | 33.3 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 90% | 0.896 | 78% | 0.783 | S | S | * | * | trans | 91.1 | 140.1 | 139.5 | 33.6 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 650 | S | 30.2 | Very low | 33.1 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | trans | -88.7 | -167 | 178.9 | -135.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 651 | P | 47.1 | Very low | 34 | Very low | 126 Ų | 126 | 123.9 Ų | 123.9 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | cis | -144.7 | -175.9 | 16.6 | 43.6 | -22.8 | 0 | 0 | 0 | 118.4 | ||||
| 652 | G | 26.5 | Very low | 34.1 | Very low | 79 Ų | 79 | 124.6 Ų | 124.6 | 81% | 0.814 | 77% | 0.772 | S | S | * | * | trans | 173.9 | 136.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 653 | A | 29.5 | Very low | 33.3 | Very low | 97 Ų | 97 | 123.9 Ų | 123.9 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | trans | -157.1 | -166.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 654 | P | 52.7 | Low | 33.3 | Very low | 114 Ų | 114 | 123.1 Ų | 123.1 | 74% | 0.74 | 76% | 0.757 | S | S | * | * | cis | -140.3 | -162.7 | -7.5 | 41.9 | -21.6 | 0 | 0 | 0 | 115.3 | ||||
| 655 | S | 32.7 | Very low | 32.5 | Very low | 101 Ų | 101 | 126 Ų | 126 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | 103.7 | 138.1 | 158.7 | -45 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 656 | T | 31.7 | Very low | 32.5 | Very low | 130 Ų | 130 | 128.4 Ų | 128.4 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | cis | -166.3 | 155.4 | -6.3 | 15.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 657 | S | 29.2 | Very low | 32.5 | Very low | 113 Ų | 113 | 125.8 Ų | 125.8 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | 71.2 | 147.4 | 159 | 149.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 658 | S | 31.6 | Very low | 33.4 | Very low | 91 Ų | 91 | 119.8 Ų | 119.8 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | cis | -170.4 | 167.5 | -19.5 | 53.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 659 | F | 28.5 | Very low | 33.5 | Very low | 194 Ų | 194 | 122.2 Ų | 122.2 | 85% | 0.851 | 75% | 0.746 | S | S | * | * | trans | 78.5 | 118 | 167.1 | -76.5 | -83.1 | 0 | 0 | 0 | 123 | ||||
| 660 | V | 38.5 | Very low | 33.6 | Very low | 123 Ų | 123 | 122.7 Ų | 122.7 | 75% | 0.745 | 74% | 0.738 | S | S | * | * | trans | -54.3 | -177.4 | 159 | -93.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 661 | P | 46.2 | Very low | 33.5 | Very low | 107 Ų | 107 | 122.8 Ų | 122.8 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | cis | -134.8 | 152.7 | 7.7 | 15.7 | 13 | 0 | 0 | 0 | 117.3 | ||||
| 662 | S | 32.7 | Very low | 32.6 | Very low | 97 Ų | 97 | 122.5 Ų | 122.5 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | 87.6 | 155.4 | 103.1 | -72.8 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 663 | D | 28 | Very low | 32.7 | Very low | 105 Ų | 105 | 125.6 Ų | 125.6 | 56% | 0.561 | 72% | 0.723 | S | S | * | * | cis | -152.6 | 153.4 | -12.6 | -92.2 | -11.9 | 0 | 0 | 0 | 106.5 | Y665 | D663-Y665 HydrophobicContact CB-CD2 4.3Å; D663-Y665 HydrophobicContact CB-CE2 4.16Å | ||
| 664 | L | 31.8 | Very low | 32.6 | Very low | 137 Ų | 137 | 128.7 Ų | 128.7 | 72% | 0.717 | 72% | 0.719 | S | S | * | * | 54.6 | 137.7 | 70.2 | -56 | -179.6 | 0 | 0 | 0 | 113.5 | |||||
| 665 | Y | 29.1 | Very low | 31.5 | Very low | 185 Ų | 185 | 127.9 Ų | 127.9 | 73% | 0.725 | 72% | 0.716 | S | S | * | * | -159.1 | -166.9 | 66.4 | -94.6 | -82.6 | 0 | 0 | 0 | 115.1 | D663 | D663-Y665 HydrophobicContact CB-CD2 4.3Å; D663-Y665 HydrophobicContact CB-CE2 4.16Å | |||
| 666 | L | 29.8 | Very low | 31.3 | Very low | 147 Ų | 147 | 129.7 Ų | 129.7 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | trans | -85.4 | 171.5 | -161.4 | -83.1 | 70.2 | 0 | 0 | 0 | 117.2 | ||||
| 667 | T | 28.5 | Very low | 31.2 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 76% | 0.761 | 72% | 0.715 | S | S | * | * | trans | -60.6 | -179.3 | 156.3 | 56 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 668 | P | 44.8 | Very low | 31.2 | Very low | 100 Ų | 100 | 133.3 Ų | 133.3 | 65% | 0.649 | 72% | 0.717 | S | S | * | * | cis | -146.5 | -178 | 13.1 | 45.3 | -25.5 | 0 | 0 | 0 | 119.3 | ||||
| 669 | N | 28.1 | Very low | 31 | Very low | 138 Ų | 138 | 133.6 Ų | 133.6 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | trans | 82.4 | 143.2 | 142.6 | -77.9 | 0.3 | 0 | 0 | 0 | 125.1 | ||||
| 670 | H | 28.8 | Very low | 31.3 | Very low | 156 Ų | 156 | 131.3 Ų | 131.3 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | trans | 81.3 | 94.3 | 149.2 | -75.4 | -56.2 | 0 | 0 | 0 | 123.9 | ||||
| 671 | V | 27.3 | Very low | 31.3 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 69% | 0.691 | 73% | 0.727 | S | S | * | * | 85.9 | 131.5 | 105.3 | 153.6 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 672 | T | 28.9 | Very low | 30.5 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | trans | 74.1 | 117.6 | 159.7 | 40.9 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 673 | E | 27.6 | Very low | 30.9 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 67% | 0.673 | 74% | 0.735 | S | S | * | * | 79.2 | 135.4 | 128.6 | -77.2 | -159.2 | 138.9 | 0 | 0 | 125.7 | |||||
| 674 | K | 27 | Very low | 30.8 | Very low | 162 Ų | 162 | 133.3 Ų | 133.3 | 70% | 0.704 | 74% | 0.744 | S | S | * | * | trans | 74 | 99.5 | 139.6 | -73.5 | 166.6 | -178.6 | 147.2 | 0 | 121.7 | ||||
| 675 | S | 30.1 | Very low | 30.7 | Very low | 97 Ų | 97 | 131.5 Ų | 131.5 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | 71.5 | 105.8 | 107.6 | -157.2 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 676 | N | 29.2 | Very low | 30.7 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | 79.2 | 145.7 | 129.3 | -83.4 | -43.1 | 0 | 0 | 0 | 124 | |||||
| 677 | Q | 30.2 | Very low | 30.6 | Very low | 161 Ų | 161 | 126.4 Ų | 126.4 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | trans | 83.8 | 103.7 | 150.4 | -77.1 | 179.4 | 91.4 | 0 | 0 | 122.8 | ||||
| 678 | L | 28.9 | Very low | 30.6 | Very low | 157 Ų | 157 | 126.3 Ų | 126.3 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | 78.4 | 147.6 | 117.9 | -75.9 | 170.8 | 0 | 0 | 0 | 123.9 | |||||
| 679 | A | 27.4 | Very low | 29.8 | Very low | 98 Ų | 98 | 127.3 Ų | 127.3 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | trans | 94.8 | 133.5 | 151.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 680 | L | 33.9 | Very low | 29.9 | Very low | 146 Ų | 146 | 126.9 Ų | 126.9 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | trans | -95.3 | 174.5 | 172.4 | -64.6 | 131.7 | 0 | 0 | 0 | 110.6 | I682 | L680-I682 HydrophobicContact CD2-CD1 4.35Š| ||
| 681 | P | 39.5 | Very low | 29.9 | Very low | 133 Ų | 133 | 127.8 Ų | 127.8 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | -143.8 | 173.1 | 110.4 | 31.7 | -13.6 | 0 | 0 | 0 | 116.5 | |||||
| 682 | I | 28.1 | Very low | 30.1 | Very low | 139 Ų | 139 | 127.5 Ų | 127.5 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | trans | -147 | 133.7 | -165.4 | -70.8 | 172.7 | 0 | 0 | 0 | 107.6 | L680 | L680-I682 HydrophobicContact CD2-CD1 4.35Š| ||
| 683 | P | 42.2 | Very low | 30.1 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | -159.7 | 179.3 | 80.6 | 43.6 | -22.8 | 0 | 0 | 0 | 119.1 | |||||
| 684 | G | 26.4 | Very low | 30.2 | Very low | 72 Ų | 72 | 129.9 Ų | 129.9 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | trans | 115.2 | 111.5 | 155.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 685 | A | 28.1 | Very low | 30.3 | Very low | 100 Ų | 100 | 134.3 Ų | 134.3 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | cis | 73.6 | 126.6 | 47 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 686 | S | 28.9 | Very low | 30.1 | Very low | 101 Ų | 101 | 133.9 Ų | 133.9 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | cis | -160.8 | 160.8 | -6 | -72.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 687 | T | 29.1 | Very low | 30 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | 161.5 | 177.7 | 92.8 | 46.5 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 688 | T | 28 | Very low | 29.8 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | trans | 79.4 | 84.2 | 157.3 | 54.1 | 0 | 0 | 0 | 0 | 124 | ||||
| 689 | T | 29.1 | Very low | 29.7 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | 56.2 | 118.5 | 113.5 | 53.8 | 0 | 0 | 0 | 0 | 125.9 | |||||
| 690 | V | 30 | Very low | 29.8 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | 100.4 | 136.9 | 119.8 | 168.9 | 0 | 0 | 0 | 0 | 123 | |||||
| 691 | Q | 28.1 | Very low | 29.4 | Very low | 176 Ų | 176 | 130.8 Ų | 130.8 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | 87.3 | 97.4 | 158 | -96.9 | 175.9 | 1.5 | 0 | 0 | 124 | ||||
| 692 | S | 31.5 | Very low | 29 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | 39.3 | 119.9 | 120.2 | -48.6 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 693 | Q | 29.5 | Very low | 29 | Very low | 203 Ų | 203 | 129.7 Ų | 129.7 | 95% | 0.949 | 81% | 0.808 | S | S | * | * | -163.7 | 169.6 | 122.6 | -117.6 | 171.9 | 80 | 0 | 0 | 113.8 | |||||
| 694 | S | 30.2 | Very low | 28.3 | Very low | 111 Ų | 111 | 129 Ų | 129 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -125.6 | 149.2 | -169.8 | 56.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 695 | R | 27.3 | Very low | 28.3 | Very low | 254 Ų | 254 | 131.4 Ų | 131.4 | 96% | 0.958 | 81% | 0.805 | S | S | * | * | trans | -158.2 | 155.3 | 155.8 | -142.6 | 165.3 | 180 | 150.4 | -0.4 | 111.9 | ||||
| 696 | A | 26.3 | Very low | 28.4 | Very low | 88 Ų | 88 | 135.2 Ų | 135.2 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -128.1 | 154.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 697 | S | 28.1 | Very low | 28.4 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | 170.7 | 151.4 | 165.1 | -78.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 698 | T | 25.9 | Very low | 29.1 | Very low | 133 Ų | 133 | 137.7 Ų | 137.7 | 82% | 0.816 | 81% | 0.813 | S | S | * | * | cis | -157.8 | 159.3 | -8.7 | 12.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 699 | S | 27 | Very low | 29.2 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | trans | -89.7 | 152.1 | 172.5 | 49.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 700 | T | 27.7 | Very low | 29.3 | Very low | 143 Ų | 143 | 139.4 Ų | 139.4 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | trans | -135.3 | 126.4 | 165.7 | -42.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 701 | T | 27.4 | Very low | 29.3 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 84% | 0.84 | 82% | 0.824 | S | S | * | * | trans | -110.2 | 143.2 | 174.9 | 46.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 702 | S | 30.3 | Very low | 29.6 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 89% | 0.888 | 83% | 0.826 | S | S | * | * | trans | -105.9 | 152.6 | 164.5 | 52.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 703 | S | 28.9 | Very low | 29.7 | Very low | 121 Ų | 121 | 139.9 Ų | 139.9 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | trans | -124.9 | 141.9 | -172 | 52.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 704 | C | 27.4 | Very low | 29.9 | Very low | 115 Ų | 115 | 134.4 Ų | 134.4 | 78% | 0.777 | 81% | 0.813 | S | S | * | * | trans | -139.3 | 143.5 | 157.1 | -169.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 705 | V | 26.4 | Very low | 30.2 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 74% | 0.739 | 82% | 0.815 | S | S | * | * | trans | -122.5 | 120.4 | -179.4 | 176.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 706 | Q | 29.5 | Very low | 30.5 | Very low | 180 Ų | 180 | 130.4 Ų | 130.4 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | trans | -134.9 | 126.5 | 170.5 | -101.4 | 170.7 | -27.9 | 0 | 0 | 109.2 | ||||
| 707 | N | 29.3 | Very low | 30.8 | Very low | 150 Ų | 150 | 131.4 Ų | 131.4 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | -99.3 | 145.7 | 172.5 | -87.1 | -56.2 | 0 | 0 | 0 | 110 | ||||
| 708 | P | 43 | Very low | 31 | Very low | 127 Ų | 127 | 132 Ų | 132 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -90.7 | 162.8 | -163.5 | 36.1 | -37.8 | 0 | 0 | 0 | 114.1 | ||||
| 709 | G | 29.5 | Very low | 31.5 | Very low | 71 Ų | 71 | 132.4 Ų | 132.4 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | trans | -166.7 | 125.9 | 167 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 710 | K | 31.3 | Very low | 31.8 | Very low | 208 Ų | 208 | 132.5 Ų | 132.5 | 90% | 0.904 | 78% | 0.784 | S | S | * | * | trans | 72.7 | 81.5 | 174.2 | -51.9 | 177.4 | -175.9 | 177.4 | 0 | 116.4 | ||||
| 711 | S | 30.2 | Very low | 31.9 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -72.7 | 121.1 | 154.4 | 36.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 712 | Q | 33.9 | Very low | 32.2 | Very low | 183 Ų | 183 | 132 Ų | 132 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | trans | -86.7 | 138.2 | 163.6 | -75.9 | -80.6 | 23.2 | 0 | 0 | 109 | S714 | Q712-S714 PolarHBondContact O-N 2.84Å; Q712-S714 VanDerWaalsContact O-N 3.1Å | ||
| 713 | S | 34.7 | Very low | 32.5 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | trans | -81.7 | 86.9 | -176.5 | -57.7 | 0 | 0 | 0 | 0 | 112.1 | T715 | S713-T715 PolarHBondContact O-N 2.99Š| ||
| 714 | S | 32.5 | Very low | 32.8 | Very low | 89 Ų | 89 | 132.2 Ų | 132.2 | 62% | 0.622 | 76% | 0.763 | S | S | * | * | trans | -82.5 | 104.2 | 169.3 | -170.2 | 0 | 0 | 0 | 0 | 111 | Q712 | Q712-S714 PolarHBondContact O-N 2.84Å; Q712-S714 VanDerWaalsContact O-N 3.1Å | ||
| 715 | T | 37.7 | Very low | 33.8 | Very low | 133 Ų | 133 | 138.7 Ų | 138.7 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | trans | -84.9 | 107.8 | 167.5 | 48.3 | 0 | 0 | 0 | 0 | 109.6 | S713 | S713-T715 PolarHBondContact O-N 2.99Š| ||
| 716 | F | 33.8 | Very low | 34.5 | Very low | 148 Ų | 148 | 140.7 Ų | 140.7 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | trans | -69.6 | 144.4 | 176.2 | -72 | -88.1 | 0 | 0 | 0 | 112 | ||||
| 717 | S | 32.6 | Very low | 35.2 | Very low | 108 Ų | 108 | 138.8 Ų | 138.8 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -75.1 | 134.5 | -179.3 | -169.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 718 | T | 32.3 | Very low | 35.5 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | -86.1 | 110.5 | 176.8 | -52.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 719 | Y | 35.5 | Very low | 35.6 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 56% | 0.557 | 76% | 0.757 | S | S | * | * | trans | -84.9 | 132.4 | 171.7 | -110 | -90.8 | 0 | 0 | 0 | 111.4 | F721 | Y719-F721 HydrophobicContact CD1-CE1 4.4Å; Y719-F721 HydrophobicContact CD1-CE2 4.46Å; Y719-F721 HydrophobicContact CD1-CZ 4.09Å | ||
| 720 | T | 33 | Very low | 36.2 | Very low | 114 Ų | 114 | 138.3 Ų | 138.3 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | trans | -113.1 | 126.9 | 171.7 | -58.3 | 0 | 0 | 0 | 0 | 109.1 | T722 | T720-T722 HydrophobicContact CG2-CG2 4.44Š| ||
| 721 | F | 30.2 | Very low | 36.6 | Very low | 157 Ų | 157 | 132.8 Ų | 132.8 | 69% | 0.689 | 73% | 0.731 | S | S | * | * | trans | -103.9 | 124.9 | 177.3 | -67 | -84.2 | 0 | 0 | 0 | 110.8 | Y719 | Y719-F721 HydrophobicContact CD1-CE1 4.4Å; Y719-F721 HydrophobicContact CD1-CE2 4.46Å; Y719-F721 HydrophobicContact CD1-CZ 4.09Å | ||
| 722 | T | 35.2 | Very low | 37.3 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 69% | 0.687 | 72% | 0.724 | S | S | * | * | trans | -120.4 | 106.3 | 177.7 | 51.5 | 0 | 0 | 0 | 0 | 110.6 | T720 C724 | T720-T722 HydrophobicContact CG2-CG2 4.44Å; T722-C724 PolarHBondContact O-N 2.9Å; T722-C724 VanDerWaalsContact O-N 3.08Å | ||
| 723 | T | 35.6 | Very low | 37.5 | Very low | 144 Ų | 144 | 130.8 Ų | 130.8 | 88% | 0.883 | 72% | 0.72 | S | S | * | * | trans | -85.8 | 72.7 | -175.6 | 55.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 724 | C | 35.4 | Very low | 37.6 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 74% | 0.736 | 72% | 0.72 | S | S | * | * | trans | -90.6 | 114.4 | 175.2 | -62.1 | 0 | 0 | 0 | 0 | 110.6 | T722 | T722-C724 PolarHBondContact O-N 2.9Å; T722-C724 VanDerWaalsContact O-N 3.08Å | ||
| 725 | R | 47.9 | Very low | 37.6 | Very low | 250 Ų | 250 | 135.7 Ų | 135.7 | 94% | 0.943 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 124.6 | 165.6 | -75.1 | -178.3 | 174.2 | 159.8 | -2.4 | 109.1 | ||
| 726 | I | 41.9 | Very low | 37.2 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 84% | 0.841 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 122.1 | 170.9 | -56.6 | 176.1 | 0 | 0 | 0 | 106.7 | ||
| 727 | L | 44 | Very low | 37.3 | Very low | 141 Ų | 141 | 133.4 Ų | 133.4 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 146.2 | 172.3 | -74.1 | 164.6 | 0 | 0 | 0 | 109.7 | D731 | L727-D731 HydrophobicContact CD2-CB 4.41Å; L727-D731 WeakPolarHBondContact CD2-OD2 3.25Å |
| 728 | H | 35.5 | Very low | 37 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 55% | 0.546 | 73% | 0.73 | S | S | . | * | P | Polyproline II helix | trans | -83.3 | 144 | 178.1 | -163.3 | -101.5 | 0 | 0 | 0 | 109.8 | T730 D731 | H728-T730 PolarHBondContact ND1-OG1 2.76Å; H728-T730 PolarHBondContact O-N 3.14Å; H728-D731 PolarHBondContact N-OD2 3.45Å; H728-D731 WeakPolarHBondContact O-CB 3.36Å; H728-D731 PolarHBondContact O-N 2.79Å |
| 729 | P | 46 | Very low | 36.9 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 80% | 0.799 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | 7.1 | -178.3 | 25 | -35.4 | 0 | 0 | 0 | 115.8 | ||
| 730 | T | 40.3 | Very low | 36.8 | Very low | 97 Ų | 97 | 133.3 Ų | 133.3 | 60% | 0.595 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | 3.5 | 172.3 | 53.7 | 0 | 0 | 0 | 0 | 114 | H728 I732 | H728-T730 PolarHBondContact ND1-OG1 2.76Å; H728-T730 PolarHBondContact O-N 3.14Å; T730-I732 PolarHBondContact O-N 3.12Å |
| 731 | D | 40 | Very low | 36.6 | Very low | 92 Ų | 92 | 132.9 Ų | 132.9 | 49% | 0.492 | 74% | 0.736 | S | S | . | * | trans | -74.1 | 60.9 | -179.9 | -67.8 | -29 | 0 | 0 | 0 | 112.5 | L727 H728 T733 | L727-D731 HydrophobicContact CD2-CB 4.41Å; L727-D731 WeakPolarHBondContact CD2-OD2 3.25Å; H728-D731 PolarHBondContact N-OD2 3.45Å; H728-D731 WeakPolarHBondContact O-CB 3.36Å; H728-D731 PolarHBondContact O-N 2.79Å; D731-T733 PolarHBondContact O-N 3.03Å | ||
| 732 | I | 44.4 | Very low | 36.6 | Very low | 140 Ų | 140 | 129.8 Ų | 129.8 | 72% | 0.718 | 73% | 0.734 | S | S | * | * | trans | -82.7 | 95.2 | 176.9 | -60 | 171 | 0 | 0 | 0 | 108.8 | T730 Q734 | T730-I732 PolarHBondContact O-N 3.12Å; I732-Q734 HydrophobicContact CG2-CG 4.42Å; I732-Q734 PolarHBondContact O-N 3.46Å | ||
| 733 | T | 39.8 | Very low | 36.4 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 76% | 0.761 | 74% | 0.738 | S | S | * | * | trans | -67.4 | 97.2 | 173 | 56.6 | 0 | 0 | 0 | 0 | 110.7 | D731 | D731-T733 PolarHBondContact O-N 3.03Š| ||
| 734 | Q | 35.5 | Very low | 36.3 | Very low | 175 Ų | 175 | 130 Ų | 130 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | trans | -72.5 | 132.4 | 171.1 | -64.8 | -160.9 | 56.6 | 0 | 0 | 110.5 | I732 | I732-Q734 HydrophobicContact CG2-CG 4.42Å; I732-Q734 PolarHBondContact O-N 3.46Å | ||
| 735 | V | 32.1 | Very low | 36.1 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 80% | 0.8 | 73% | 0.728 | S | S | * | * | trans | -118 | 101.1 | -177.5 | -174.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 736 | T | 29.4 | Very low | 35.1 | Very low | 128 Ų | 128 | 124.4 Ų | 124.4 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | trans | -90.7 | 132.8 | 177.1 | -53.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 737 | P | 36.2 | Very low | 34.5 | Very low | 106 Ų | 106 | 122.9 Ų | 122.9 | 69% | 0.688 | 72% | 0.723 | S | S | * | * | trans | -98.9 | 174.9 | -165.4 | 38 | -38.3 | 0 | 0 | 0 | 116.1 | ||||
| 738 | S | 26.9 | Very low | 34.8 | Very low | 112 Ų | 112 | 121.9 Ų | 121.9 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | trans | 84.1 | 153.4 | 171.2 | 93.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 739 | S | 29.8 | Very low | 34.5 | Very low | 81 Ų | 81 | 121 Ų | 121 | 57% | 0.566 | 73% | 0.732 | S | S | * | * | cis | -142.9 | 147.4 | 14.9 | -90.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 740 | Q | 33.6 | Very low | 33.7 | Very low | 180 Ų | 180 | 120.6 Ų | 120.6 | 84% | 0.841 | 73% | 0.732 | S | S | * | * | trans | 47.8 | 130.6 | 138.7 | -59.1 | 174.7 | 58.9 | 0 | 0 | 119.5 | ||||
| 741 | S | 28 | Very low | 33.3 | Very low | 106 Ų | 106 | 123.8 Ų | 123.8 | 74% | 0.741 | 74% | 0.742 | S | S | * | * | cis | -163.9 | -165.9 | 5.1 | 57 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 742 | S | 31.1 | Very low | 33 | Very low | 92 Ų | 92 | 129.5 Ų | 129.5 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | cis | -164.8 | 176.5 | 10.5 | -143.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 743 | I | 31 | Very low | 32.2 | Very low | 152 Ų | 152 | 129.5 Ų | 129.5 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | trans | 51.5 | 119.1 | 154.7 | -66.8 | 167.2 | 0 | 0 | 0 | 117.5 | ||||
| 744 | S | 34.6 | Very low | 31.8 | Very low | 107 Ų | 107 | 126.6 Ų | 126.6 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | cis | -165.7 | 178.1 | 1.9 | 57.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 745 | A | 29.6 | Very low | 32.2 | Very low | 79 Ų | 79 | 124.2 Ų | 124.2 | 65% | 0.653 | 76% | 0.758 | S | S | * | * | trans | 85.5 | 94.5 | 156.3 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 746 | N | 27.9 | Very low | 32.2 | Very low | 164 Ų | 164 | 122.5 Ų | 122.5 | 88% | 0.877 | 75% | 0.752 | S | S | * | * | trans | 96.6 | 129.6 | 132.2 | -55.6 | -10.5 | 0 | 0 | 0 | 120.3 | ||||
| 747 | T | 29.6 | Very low | 32.3 | Very low | 132 Ų | 132 | 122.6 Ų | 122.6 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | trans | -120.1 | -174.6 | -177.2 | 51 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 748 | P | 49 | Very low | 33.2 | Very low | 119 Ų | 119 | 123 Ų | 123 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | cis | -115.8 | -132 | -39.3 | 26.6 | -2.8 | 0 | 0 | 0 | 107.9 | ||||
| 749 | S | 29.1 | Very low | 33.2 | Very low | 99 Ų | 99 | 124.5 Ų | 124.5 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | cis | -160.4 | 123 | -6 | 43.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 750 | S | 30.9 | Very low | 33.3 | Very low | 115 Ų | 115 | 127 Ų | 127 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | 72.1 | 148.8 | 130.7 | -145.4 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 751 | M | 30.6 | Very low | 33.7 | Very low | 165 Ų | 165 | 124 Ų | 124 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | 74.9 | 145.7 | 161.3 | -65.6 | -95.1 | -76.8 | 0 | 0 | 120.5 | ||||
| 752 | R | 32.9 | Very low | 33.8 | Very low | 211 Ų | 211 | 125.5 Ų | 125.5 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | cis | 175.2 | 120.6 | -42.1 | 166.7 | -179 | -161.3 | -111.3 | 6.6 | 109.7 | ||||
| 753 | T | 27.9 | Very low | 33.8 | Very low | 140 Ų | 140 | 131.1 Ų | 131.1 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | trans | 175 | 145.4 | 143.7 | 30.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 754 | G | 32.4 | Very low | 33.8 | Very low | 64 Ų | 64 | 132.1 Ų | 132.1 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | trans | -103 | -175.4 | 153.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 755 | P | 43.9 | Very low | 33.5 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | -156.5 | 165.1 | 89 | 42 | -23.1 | 0 | 0 | 0 | 118.9 | |||||
| 756 | S | 30.8 | Very low | 33.5 | Very low | 97 Ų | 97 | 136 Ų | 136 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | trans | 28.1 | 118.2 | 147.7 | 61.8 | 0 | 0 | 0 | 0 | 125 | ||||
| 757 | T | 33.1 | Very low | 33.6 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | 19.2 | 165.7 | 114 | 56.6 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 758 | P | 54.3 | Low | 33.5 | Very low | 113 Ų | 113 | 132.3 Ų | 132.3 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | cis | -140.8 | 174.5 | -36.1 | 40.4 | -23.5 | 0 | 0 | 0 | 114.7 | ||||
| 759 | V | 27 | Very low | 32.5 | Very low | 145 Ų | 145 | 132 Ų | 132 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | -147.7 | 151.3 | 165.1 | -177.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 760 | T | 32.8 | Very low | 32.9 | Very low | 133 Ų | 133 | 137.4 Ų | 137.4 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | trans | -115.9 | -165.5 | -174.9 | -6.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 761 | P | 41.2 | Very low | 33.6 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | -102 | -179.2 | -141.4 | 44.3 | -38.2 | 0 | 0 | 0 | 116 | ||||
| 762 | C | 30.8 | Very low | 34.3 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 93% | 0.926 | 80% | 0.796 | S | S | * | * | trans | -129.3 | 138.5 | 165.3 | -75.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 763 | R | 30.8 | Very low | 34.3 | Very low | 211 Ų | 211 | 136.3 Ų | 136.3 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | trans | -123.3 | 146.6 | 169.1 | -166 | -154.6 | -151.8 | -94.9 | 8.1 | 107.8 | S765 | R763-S765 PolarHBondContact NH1-OG 2.93Š| ||
| 764 | L | 29.6 | Very low | 34.5 | Very low | 173 Ų | 173 | 140.3 Ų | 140.3 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | trans | -130.5 | 155.7 | 165.4 | -72.1 | 176.4 | 0 | 0 | 0 | 110.3 | ||||
| 765 | S | 29.5 | Very low | 34.7 | Very low | 80 Ų | 80 | 143.1 Ų | 143.1 | 56% | 0.559 | 81% | 0.805 | S | S | * | * | trans | -146.6 | 130.7 | -172.9 | -50.4 | 0 | 0 | 0 | 0 | 109.9 | R763 | R763-S765 PolarHBondContact NH1-OG 2.93Š| ||
| 766 | L | 29.9 | Very low | 34.2 | Very low | 187 Ų | 187 | 143.1 Ų | 143.1 | 98% | 0.979 | 81% | 0.805 | S | S | * | * | trans | -170.3 | 146.1 | 168.6 | -95.8 | 133.5 | 0 | 0 | 0 | 106.9 | ||||
| 767 | G | 29.6 | Very low | 34.6 | Very low | 62 Ų | 62 | 142.7 Ų | 142.7 | 64% | 0.639 | 81% | 0.807 | S | S | * | * | cis | 165.6 | 104.8 | -6.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 768 | D | 28 | Very low | 35 | Very low | 156 Ų | 156 | 141.7 Ų | 141.7 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | trans | 25.9 | 129.6 | 163.3 | -51.6 | -26.7 | 0 | 0 | 0 | 122 | ||||
| 769 | S | 28.3 | Very low | 34.6 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | 169.6 | 144.5 | 98.8 | 48.2 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 770 | F | 36.2 | Very low | 35.3 | Very low | 212 Ų | 212 | 141.5 Ų | 141.5 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | trans | -134.3 | 145.6 | 168.2 | -80.1 | -77.1 | 0 | 0 | 0 | 110.3 | ||||
| 771 | P | 45.5 | Very low | 36 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | trans | -125.8 | 164.1 | 149.3 | 32.8 | -19.2 | 0 | 0 | 0 | 113.2 | ||||
| 772 | P | 46.7 | Very low | 36.2 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -123.2 | 158.9 | -142.3 | 40.3 | -30.4 | 0 | 0 | 0 | 117 | ||||
| 773 | R | 31.3 | Very low | 36.9 | Very low | 226 Ų | 226 | 137.1 Ų | 137.1 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -178.1 | 124.1 | 140.1 | -105.5 | 161 | -175.9 | 174.9 | 3.3 | 116.1 | ||||
| 774 | R | 33.7 | Very low | 37.6 | Very low | 224 Ų | 224 | 134.6 Ų | 134.6 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | 58.1 | 147 | 148 | -67.6 | -177.2 | -178.7 | 149.8 | -0.2 | 120.7 | ||||
| 775 | P | 36.5 | Very low | 38.4 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 144.4 | -179.2 | 35.1 | -35.2 | 0 | 0 | 0 | 114 | ||
| 776 | P | 33.1 | Very low | 39.4 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 159.6 | 159.3 | 35.9 | -30.5 | 0 | 0 | 0 | 112.6 | ||
| 777 | A | 38.1 | Very low | 40.3 | Very low | 89 Ų | 89 | 134 Ų | 134 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 162.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 778 | P | 42.2 | Very low | 40.9 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 148.7 | -179.1 | 24.6 | -35.7 | 0 | 0 | 0 | 113.8 | C780 | P778-C780 PolarHBondContact O-N 3.39Š|
| 779 | P | 46.2 | Very low | 41.9 | Very low | 133 Ų | 133 | 140.8 Ų | 140.8 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -79 | 106.3 | -173.9 | 30.6 | -34.8 | 0 | 0 | 0 | 112.9 | ||||
| 780 | C | 40.9 | Very low | 42.2 | Very low | 120 Ų | 120 | 138.2 Ų | 138.2 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | trans | -86.4 | 123.2 | 174.6 | -58.8 | 0 | 0 | 0 | 0 | 113.1 | P778 | P778-C780 PolarHBondContact O-N 3.39Š| ||
| 781 | G | 47.8 | Very low | 42.2 | Very low | 55 Ų | 55 | 136.4 Ų | 136.4 | 57% | 0.567 | 77% | 0.766 | S | S | * | * | trans | 74 | 109 | 141.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | A783 K784 | G781-A783 PolarHBondContact O-N 2.99Å; G781-K784 PolarHBondContact O-N 3.15Å | ||
| 782 | L | 45.5 | Very low | 41.8 | Very low | 159 Ų | 159 | 135.5 Ų | 135.5 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -52.5 | -21.7 | 165.9 | -99.8 | 161.9 | 0 | 0 | 0 | 114.5 | K784 L785 | L782-K784 PolarHBondContact O-N 2.77Å; L782-K784 VanDerWaalsContact O-N 3.13Å; L782-L785 PolarHBondContact O-N 2.68Å |
| 783 | A | 46.4 | Very low | 40.9 | Very low | 81 Ų | 81 | 134 Ų | 134 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -59.4 | -21.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | G781 | G781-A783 PolarHBondContact O-N 2.99Š|
| 784 | K | 44.2 | Very low | 40.9 | Very low | 158 Ų | 158 | 131.1 Ų | 131.1 | 69% | 0.687 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -81.4 | -23 | -174.2 | -153.9 | 173.5 | -177.9 | -177 | 0 | 114.4 | G781 L782 V786 | G781-K784 PolarHBondContact O-N 3.15Å; L782-K784 PolarHBondContact O-N 2.77Å; L782-K784 VanDerWaalsContact O-N 3.13Å; K784-V786 VanDerWaalsContact C-N 3.34Å; K784-V786 PolarHBondContact O-N 2.83Å |
| 785 | L | 46.6 | Very low | 40.6 | Very low | 145 Ų | 145 | 126.2 Ų | 126.2 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -18.9 | -176.9 | -100.7 | 166.7 | 0 | 0 | 0 | 114.5 | L782 | L782-L785 PolarHBondContact O-N 2.68Š|
| 786 | V | 51.7 | Low | 40.2 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 78% | 0.782 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -15.8 | -176.3 | -175.9 | 0 | 0 | 0 | 0 | 112.4 | K784 | K784-V786 VanDerWaalsContact C-N 3.34Å; K784-V786 PolarHBondContact O-N 2.83Å |
| 787 | L | 48.1 | Very low | 40.2 | Very low | 154 Ų | 154 | 126.3 Ų | 126.3 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -96.7 | -8.4 | -174 | -82.4 | 158.9 | 0 | 0 | 0 | 115 | ||
| 788 | E | 42.7 | Very low | 39.7 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 63% | 0.631 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -107.2 | 18.7 | -167.6 | -140.4 | -176.7 | 136 | 0 | 0 | 115.3 | ||
| 789 | R | 47.5 | Very low | 39.3 | Very low | 226 Ų | 226 | 130.9 Ų | 130.9 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -145 | 68.7 | 172.1 | -62.6 | -63.7 | 139.4 | 93.9 | 5.5 | 111.9 | ||
| 790 | G | 35.3 | Very low | 39.2 | Very low | 60 Ų | 60 | 130.6 Ų | 130.6 | 62% | 0.619 | 76% | 0.761 | S | S | * | * | trans | -102.4 | 178.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 791 | I | 37.3 | Very low | 38.8 | Very low | 173 Ų | 173 | 129.5 Ų | 129.5 | 89% | 0.887 | 75% | 0.754 | S | S | * | * | trans | 76.2 | 134.7 | 155.7 | -56 | 153.8 | 0 | 0 | 0 | 114.6 | ||||
| 792 | S | 36.4 | Very low | 38.7 | Very low | 104 Ų | 104 | 132.9 Ų | 132.9 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | cis | -139.7 | -162.6 | 0.9 | -143.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 793 | A | 27.5 | Very low | 38 | Very low | 86 Ų | 86 | 132.1 Ų | 132.1 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | cis | -154.8 | 144.2 | 3.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 794 | Q | 31.6 | Very low | 38 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | 77.6 | 89.7 | 72.8 | -66.5 | -89.8 | 1.5 | 0 | 0 | 116.7 | |||||
| 795 | V | 27.9 | Very low | 37.3 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | trans | 47.4 | 123.1 | 133.5 | -175.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 796 | S | 26.5 | Very low | 36.6 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -166.5 | 157.5 | 130.3 | -82.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 797 | T | 34.6 | Very low | 35.5 | Very low | 127 Ų | 127 | 133.8 Ų | 133.8 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | trans | -119.4 | 134.7 | -177.6 | -52.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 798 | D | 27.4 | Very low | 35.5 | Very low | 160 Ų | 160 | 132 Ų | 132 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | trans | 177.2 | 168.6 | 135 | -103.8 | -23.7 | 0 | 0 | 0 | 114.3 | ||||
| 799 | V | 34.2 | Very low | 35 | Very low | 133 Ų | 133 | 137 Ų | 137 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | -138.3 | 131.1 | 179.2 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 800 | P | 42.2 | Very low | 34.3 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | trans | -140.8 | 165.2 | 132.4 | 29.1 | -10.8 | 0 | 0 | 0 | 114.9 | ||||
| 801 | S | 33.3 | Very low | 34.9 | Very low | 96 Ų | 96 | 136.9 Ų | 136.9 | 67% | 0.671 | 79% | 0.787 | S | S | * | * | trans | -106.5 | 163.4 | 176.6 | -163.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 802 | P | 45.9 | Very low | 34.7 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | -149 | 177.2 | 91.9 | 37.3 | -17.8 | 0 | 0 | 0 | 117.6 | |||||
| 803 | L | 30.1 | Very low | 34.5 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | -68.2 | 179 | 176.4 | -112.1 | 75.5 | 0 | 0 | 0 | 114.4 | ||||
| 804 | P | 47.7 | Very low | 34.6 | Very low | 103 Ų | 103 | 142.3 Ų | 142.3 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | cis | -152.9 | 149.6 | 35.6 | 39.6 | -16.2 | 0 | 0 | 0 | 122.3 | ||||
| 805 | R | 29.8 | Very low | 34.5 | Very low | 234 Ų | 234 | 140.7 Ų | 140.7 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | 66.2 | 157 | 142.5 | -64.3 | 169.5 | -175.9 | 165.7 | 1.7 | 118.1 | ||||
| 806 | S | 31.3 | Very low | 35.1 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | cis | -142.4 | 162.5 | 15.8 | 54.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 807 | A | 28.6 | Very low | 35.7 | Very low | 93 Ų | 93 | 142.1 Ų | 142.1 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -123.8 | 172.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 808 | P | 48.1 | Very low | 35.4 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | -139.1 | -176.5 | 66.1 | 34 | -11.4 | 0 | 0 | 0 | 112.8 | |||||
| 809 | R | 32.7 | Very low | 35.7 | Very low | 239 Ų | 239 | 140.1 Ų | 140.1 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | cis | -144.4 | 167.5 | 30.2 | -71.7 | 175.9 | 163 | 157.4 | -5.4 | 113.1 | ||||
| 810 | Q | 32.8 | Very low | 36 | Very low | 182 Ų | 182 | 139.5 Ų | 139.5 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | trans | -121.1 | -179.6 | 175 | -120.8 | -170.8 | 28.7 | 0 | 0 | 109.3 | ||||
| 811 | P | 46.3 | Very low | 35.9 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | cis | -137.2 | -166.2 | 36.7 | 31.5 | -4.4 | 0 | 0 | 0 | 113.5 | ||||
| 812 | L | 32.9 | Very low | 35.7 | Very low | 137 Ų | 137 | 141.7 Ų | 141.7 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | cis | -147.7 | 147.3 | 20.8 | -75.5 | 163.4 | 0 | 0 | 0 | 112.9 | ||||
| 813 | L | 32.9 | Very low | 35 | Very low | 136 Ų | 136 | 141 Ų | 141 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | trans | 37.9 | 149.5 | 131.4 | -46.3 | -179 | 0 | 0 | 0 | 122 | ||||
| 814 | R | 29.5 | Very low | 35.4 | Very low | 204 Ų | 204 | 139.7 Ų | 139.7 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | cis | -170.7 | 151.4 | -12.5 | -117 | -179 | 161.3 | 176.8 | -5.9 | 111.6 | ||||
| 815 | L | 30.1 | Very low | 34.5 | Very low | 131 Ų | 131 | 138.8 Ų | 138.8 | 69% | 0.686 | 77% | 0.768 | S | S | * | * | trans | 48.9 | 127.9 | 141.8 | -68.1 | 168.3 | 0 | 0 | 0 | 123.4 | ||||
| 816 | M | 40.1 | Very low | 34.5 | Very low | 173 Ų | 173 | 136.3 Ų | 136.3 | 85% | 0.852 | 77% | 0.766 | S | S | * | * | trans | -77.4 | 154 | 131.8 | -79.4 | -79.2 | 126 | 0 | 0 | 109.7 | ||||
| 817 | P | 38.6 | Very low | 34.5 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 66% | 0.662 | 76% | 0.762 | S | S | * | * | -155.6 | 167.3 | 115.3 | 38.6 | -20.8 | 0 | 0 | 0 | 118.3 | |||||
| 818 | S | 29.1 | Very low | 35.1 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | 73.9 | 138.8 | 142.7 | 56.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 819 | T | 33.5 | Very low | 34.2 | Very low | 132 Ų | 132 | 137.7 Ų | 137.7 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | -98.8 | 166.3 | 169.4 | 49.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 820 | P | 40.3 | Very low | 34.3 | Very low | 119 Ų | 119 | 132 Ų | 132 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | -102.2 | 153.5 | 154.9 | 36.2 | -29.4 | 0 | 0 | 0 | 112.3 | ||||
| 821 | P | 41.2 | Very low | 34.2 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | trans | -107.6 | 163.5 | -176.8 | 40.1 | -34.7 | 0 | 0 | 0 | 114.5 | ||||
| 822 | N | 29.2 | Very low | 33.7 | Very low | 160 Ų | 160 | 129.7 Ų | 129.7 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | trans | -176.3 | 153.2 | 131.2 | -92.8 | -28.1 | 0 | 0 | 0 | 111.2 | ||||
| 823 | S | 30.1 | Very low | 33.7 | Very low | 113 Ų | 113 | 131 Ų | 131 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | -135.1 | 167.3 | 174.2 | -51 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 824 | P | 38.7 | Very low | 34 | Very low | 114 Ų | 114 | 129.9 Ų | 129.9 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | -147 | 160.5 | 87.8 | 40.3 | -24.3 | 0 | 0 | 0 | 116.3 | |||||
| 825 | S | 29.8 | Very low | 33.9 | Very low | 85 Ų | 85 | 129 Ų | 129 | 59% | 0.594 | 78% | 0.777 | S | S | * | * | trans | 26.3 | 140.3 | 148.9 | 60.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 826 | H | 29.5 | Very low | 33.9 | Very low | 181 Ų | 181 | 131.3 Ų | 131.3 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | cis | -142.7 | 170.3 | 37.1 | -75.8 | -95.3 | 0 | 0 | 0 | 114.7 | ||||
| 827 | S | 30.2 | Very low | 33.7 | Very low | 106 Ų | 106 | 128.9 Ų | 128.9 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | -108.9 | -172.6 | 175.7 | 64.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 828 | P | 41.9 | Very low | 33.1 | Very low | 107 Ų | 107 | 136 Ų | 136 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | cis | -131.6 | 175 | -11.4 | 40.8 | -25.7 | 0 | 0 | 0 | 114.3 | ||||
| 829 | T | 29.7 | Very low | 33 | Very low | 143 Ų | 143 | 138.1 Ų | 138.1 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -168.4 | 147.2 | 139.4 | 7 | 0 | 0 | 0 | 0 | 111 | ||||
| 830 | P | 34.4 | Very low | 32.7 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 158.4 | -171.2 | 38.9 | -34.4 | 0 | 0 | 0 | 115.2 | ||
| 831 | S | 30.3 | Very low | 32.5 | Very low | 115 Ų | 115 | 140 Ų | 140 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 149.1 | 170.8 | -43.4 | 0 | 0 | 0 | 0 | 112.6 | ||
| 832 | P | 34.9 | Very low | 31.8 | Very low | 121 Ų | 121 | 140 Ų | 140 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 159.4 | 169.9 | 34.5 | -34.3 | 0 | 0 | 0 | 113.2 | ||
| 833 | L | 33.2 | Very low | 31.8 | Very low | 164 Ų | 164 | 139.2 Ų | 139.2 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | -122.6 | 163.3 | 169.5 | -87 | 175.8 | 0 | 0 | 0 | 110 | ||||
| 834 | P | 39.8 | Very low | 32 | Very low | 114 Ų | 114 | 141.7 Ų | 141.7 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | trans | -85.3 | 164.9 | -158.4 | 34.3 | -37.7 | 0 | 0 | 0 | 114.9 | ||||
| 835 | M | 27.3 | Very low | 31.8 | Very low | 186 Ų | 186 | 145.3 Ų | 145.3 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | trans | -138.5 | 157.4 | 173.6 | -75 | -63.2 | -66.4 | 0 | 0 | 112 | ||||
| 836 | E | 29.3 | Very low | 32.1 | Very low | 179 Ų | 179 | 149.7 Ų | 149.7 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | trans | -106.8 | 155.2 | -168.3 | -166 | 161.8 | -176.1 | 0 | 0 | 111.3 | ||||
| 837 | P | 35.9 | Very low | 32.7 | Very low | 122 Ų | 122 | 145.6 Ų | 145.6 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | trans | -87.7 | 157.4 | -156.3 | 33.7 | -36.4 | 0 | 0 | 0 | 116.1 | ||||
| 838 | R | 26.2 | Very low | 33 | Very low | 250 Ų | 250 | 145.6 Ų | 145.6 | 94% | 0.943 | 81% | 0.813 | S | S | * | * | trans | -142.3 | 160.5 | 163.8 | -130.6 | 173.5 | -175.1 | 166 | 2.5 | 110.6 | ||||
| 839 | Q | 28.4 | Very low | 33.3 | Very low | 159 Ų | 159 | 149.4 Ų | 149.4 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | trans | -103.7 | 151.6 | -155.1 | -54.5 | 165.9 | -87.6 | 0 | 0 | 115.1 | ||||
| 840 | H | 26.7 | Very low | 33.9 | Very low | 164 Ų | 164 | 147.4 Ų | 147.4 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | trans | 67.3 | 155 | 162.9 | -53 | -69.3 | 0 | 0 | 0 | 118.1 | ||||
| 841 | P | 34.8 | Very low | 34.3 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | cis | -125 | 155.9 | -48.6 | 36.5 | -24.3 | 0 | 0 | 0 | 111.2 | ||||
| 842 | S | 26.8 | Very low | 35 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | -131.8 | 129.7 | -179.3 | 57.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 843 | D | 29.9 | Very low | 35.8 | Very low | 143 Ų | 143 | 144.8 Ų | 144.8 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | trans | -69.1 | 151 | -173.7 | -63.1 | -69.8 | 0 | 0 | 0 | 114.9 | F845 | D843-F845 VanDerWaalsContact C-N 3.34Å; D843-F845 HydrophobicContact CB-CD2 4.28Å; D843-F845 PolarHBondContact O-N 3.36Å | ||
| 844 | N | 33.6 | Very low | 36.5 | Very low | 164 Ų | 164 | 144.5 Ų | 144.5 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | trans | -76 | 76.3 | 178.6 | -71.2 | -41.4 | 0 | 0 | 0 | 112.1 | L846 | N844-L846 PolarHBondContact O-N 3.02Š| ||
| 845 | F | 36 | Very low | 37.1 | Very low | 190 Ų | 190 | 144.3 Ų | 144.3 | 83% | 0.833 | 76% | 0.755 | S | S | * | * | trans | -76.5 | 53 | 178.4 | -106.6 | -81.7 | 0 | 0 | 0 | 114.4 | D843 | D843-F845 VanDerWaalsContact C-N 3.34Å; D843-F845 HydrophobicContact CB-CD2 4.28Å; D843-F845 PolarHBondContact O-N 3.36Å | ||
| 846 | L | 36.1 | Very low | 38.6 | Very low | 178 Ų | 178 | 139.4 Ų | 139.4 | 93% | 0.932 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -142.9 | 41.9 | 167.3 | -80.3 | -173.8 | 0 | 0 | 0 | 113.3 | N844 | N844-L846 PolarHBondContact O-N 3.02Š|
| 847 | A | 41.3 | Very low | 39.8 | Very low | 95 Ų | 95 | 138 Ų | 138 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | trans | -152.7 | 111.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 848 | S | 35.5 | Very low | 40.7 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | trans | -148.3 | 82.6 | 177.7 | 64.3 | 0 | 0 | 0 | 0 | 114.7 | P850 | S848-P850 WeakPolarHBondContact O-CD 3.16Š| ||
| 849 | R | 49.8 | Very low | 41.8 | Very low | 187 Ų | 187 | 132.6 Ų | 132.6 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | trans | 55.1 | 72.2 | 130.9 | -61.9 | -168.7 | 147.5 | 163.6 | -7.4 | 119.4 | E852 | R849-E852 IonicContact CZ-OE1 3.87Å; R849-E852 IonicContact CZ-OE2 3.88Å; R849-E852 VanDerWaalsContact CZ-OE2 3.29Å; R849-E852 IonicContact NE-OE1 2.66Å; R849-E852 IonicContact NE-OE2 2.74Å; R849-E852 PolarHBondContact NE-OE2 3.32Å; R849-E852 VanDerWaalsContact NH2-CD 3.28Å; R849-E852 IonicContact NH2-OE1 3.2Å; R849-E852 PolarHBondContact NH2-OE1 3.3Å; R849-E852 IonicContact NH2-OE2 2.73Å; R849-E852 PolarHBondContact NH2-OE2 2.8Å | ||
| 850 | P | 42.3 | Very low | 42.8 | Very low | 100 Ų | 100 | 127.5 Ų | 127.5 | 65% | 0.649 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -110.5 | -38.9 | 137.9 | -8 | 27.7 | 0 | 0 | 0 | 112.8 | S848 E852 L853 | S848-P850 WeakPolarHBondContact O-CD 3.16Å; P850-E852 VanDerWaalsContact C-N 3.34Å; P850-E852 PolarHBondContact O-N 3.47Å; P850-L853 PolarHBondContact O-N 2.92Å |
| 851 | A | 41.3 | Very low | 43.7 | Very low | 65 Ų | 65 | 125.9 Ų | 125.9 | 54% | 0.537 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -66.7 | -29.2 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L853 F854 L855 | A851-L853 VanDerWaalsContact C-N 3.34Å; A851-L853 PolarHBondContact O-N 3.23Å; A851-F854 PolarHBondContact O-N 3.48Å; A851-L855 WeakPolarHBondContact O-CD1 3.27Å; A851-L855 PolarHBondContact O-N 2.92Å; A851-L855 VanDerWaalsContact O-N 3.16Å |
| 852 | E | 45.4 | Very low | 44.1 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 53% | 0.533 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -68.3 | -30.9 | -175.5 | -165.8 | 175.4 | 167.7 | 0 | 0 | 113 | R849 P850 | R849-E852 IonicContact CZ-OE1 3.87Å; R849-E852 IonicContact CZ-OE2 3.88Å; R849-E852 VanDerWaalsContact CZ-OE2 3.29Å; R849-E852 IonicContact NE-OE1 2.66Å; R849-E852 IonicContact NE-OE2 2.74Å; R849-E852 PolarHBondContact NE-OE2 3.32Å; R849-E852 VanDerWaalsContact NH2-CD 3.28Å; R849-E852 IonicContact NH2-OE1 3.2Å; R849-E852 PolarHBondContact NH2-OE1 3.3Å; R849-E852 IonicContact NH2-OE2 2.73Å; R849-E852 PolarHBondContact NH2-OE2 2.8Å; P850-E852 VanDerWaalsContact C-N 3.34Å; P850-E852 PolarHBondContact O-N 3.47Å |
| 853 | L | 51.6 | Low | 44.6 | Very low | 122 Ų | 122 | 126.8 Ų | 126.8 | 64% | 0.639 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -79.8 | -39.5 | 174.3 | -69.3 | 169.9 | 0 | 0 | 0 | 111.5 | P850 A851 L855 Q856 D857 | P850-L853 PolarHBondContact O-N 2.92Å; A851-L853 VanDerWaalsContact C-N 3.34Å; A851-L853 PolarHBondContact O-N 3.23Å; L853-L855 VanDerWaalsContact C-N 3.31Å; L853-L855 PolarHBondContact O-N 3.17Å; L853-Q856 WeakPolarHBondContact O-CB 3.47Å; L853-Q856 PolarHBondContact O-N 2.82Å; L853-D857 PolarHBondContact O-N 2.86Å |
| 854 | F | 48.3 | Very low | 45 | Very low | 159 Ų | 159 | 123.5 Ų | 123.5 | 70% | 0.697 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -64.1 | -32.9 | -179.6 | -118.9 | -84.1 | 0 | 0 | 0 | 113.1 | A851 Q856 V858 | A851-F854 PolarHBondContact O-N 3.48Å; F854-Q856 VanDerWaalsContact C-N 3.3Å; F854-V858 VanDerWaalsContact O-CG2 3.25Å; F854-V858 WeakPolarHBondContact O-CG2 3.33Å; F854-V858 PolarHBondContact O-N 2.6Å |
| 855 | L | 53.1 | Low | 45 | Very low | 110 Ų | 110 | 127.4 Ų | 127.4 | 58% | 0.576 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -71.6 | -22.8 | 171.5 | -93.7 | 77.3 | 0 | 0 | 0 | 113.2 | A851 L853 Y859 | A851-L855 WeakPolarHBondContact O-CD1 3.27Å; A851-L855 PolarHBondContact O-N 2.92Å; A851-L855 VanDerWaalsContact O-N 3.16Å; L853-L855 VanDerWaalsContact C-N 3.31Å; L853-L855 PolarHBondContact O-N 3.17Å; L855-Y859 HydrophobicContact CG-CD2 4.48Å; L855-Y859 WeakPolarHBondContact O-CD2 3.19Å; L855-Y859 PolarHBondContact O-N 3.37Å |
| 856 | Q | 57.5 | Low | 44.7 | Very low | 83 Ų | 83 | 124 Ų | 124 | 39% | 0.388 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -79.2 | -42.8 | -177.8 | -169.9 | 142.2 | 58 | 0 | 0 | 111.7 | L853 F854 G860 L861 | L853-Q856 WeakPolarHBondContact O-CB 3.47Å; L853-Q856 PolarHBondContact O-N 2.82Å; F854-Q856 VanDerWaalsContact C-N 3.3Å; Q856-G860 PolarHBondContact O-N 3.05Å; Q856-L861 PolarHBondContact NE2-O 3.5Å |
| 857 | D | 54.8 | Low | 44.5 | Very low | 150 Ų | 150 | 124.3 Ų | 124.3 | 80% | 0.802 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -68.3 | -35.4 | 176 | -74.8 | -19 | 0 | 0 | 0 | 112.7 | L853 | L853-D857 PolarHBondContact O-N 2.86Å |
| 858 | V | 55.3 | Low | 43.9 | Very low | 93 Ų | 93 | 124.4 Ų | 124.4 | 56% | 0.564 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -76.9 | -27.8 | -177.1 | 174.3 | 0 | 0 | 0 | 0 | 113.2 | F854 | F854-V858 VanDerWaalsContact O-CG2 3.25Å; F854-V858 WeakPolarHBondContact O-CG2 3.33Å; F854-V858 PolarHBondContact O-N 2.6Å |
| 859 | Y | 49.8 | Very low | 44 | Very low | 165 Ų | 165 | 127.2 Ų | 127.2 | 65% | 0.647 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -119.3 | -3.5 | -173.5 | -65.1 | -73.8 | 0 | 0 | 0 | 115.4 | L855 L861 | L855-Y859 HydrophobicContact CG-CD2 4.48Å; L855-Y859 WeakPolarHBondContact O-CD2 3.19Å; L855-Y859 PolarHBondContact O-N 3.37Å; Y859-L861 PolarHBondContact O-N 3.21Å |
| 860 | G | 48.2 | Very low | 43.5 | Very low | 52 Ų | 52 | 124 Ų | 124 | 54% | 0.536 | 68% | 0.683 | S | S | . | * | trans | 67 | 6.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q856 N862 | Q856-G860 PolarHBondContact O-N 3.05Å; G860-N862 PolarHBondContact O-N 3.01Å; G860-N862 PolarHBondContact O-ND2 3.08Å | ||
| 861 | L | 45.8 | Very low | 43.4 | Very low | 130 Ų | 130 | 124.7 Ų | 124.7 | 68% | 0.681 | 69% | 0.687 | S | S | * | * | trans | -76.7 | 115.8 | -174.5 | -65.5 | 178.4 | 0 | 0 | 0 | 112 | Q856 Y859 P863 | Q856-L861 PolarHBondContact NE2-O 3.5Å; Y859-L861 PolarHBondContact O-N 3.21Å; L861-P863 VanDerWaalsContact O-CD 3.28Å; L861-P863 WeakPolarHBondContact O-CD 3.47Å | ||
| 862 | N | 43.9 | Very low | 43.4 | Very low | 144 Ų | 144 | 127.3 Ų | 127.3 | 77% | 0.77 | 70% | 0.702 | S | S | * | * | trans | -104.7 | 100.5 | 178.4 | -82.1 | -80.4 | 0 | 0 | 0 | 111.8 | G860 G864 | G860-N862 PolarHBondContact O-N 3.01Å; G860-N862 PolarHBondContact O-ND2 3.08Å; N862-G864 PolarHBondContact O-N 3.28Å; N862-G864 VanDerWaalsContact O-N 3.11Å | ||
| 863 | P | 36.8 | Very low | 43.2 | Very low | 112 Ų | 112 | 126.5 Ų | 126.5 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | trans | -78.8 | 90 | 171.7 | 31.8 | -33.5 | 0 | 0 | 0 | 110.6 | L861 R865 | L861-P863 VanDerWaalsContact O-CD 3.28Å; L861-P863 WeakPolarHBondContact O-CD 3.47Å; P863-R865 PolarHBondContact O-N 3.46Å | ||
| 864 | G | 39.4 | Very low | 43.2 | Very low | 74 Ų | 74 | 123.7 Ų | 123.7 | 76% | 0.763 | 70% | 0.695 | S | S | * | * | trans | -71.8 | 119.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | N862 | N862-G864 PolarHBondContact O-N 3.28Å; N862-G864 VanDerWaalsContact O-N 3.11Å | ||
| 865 | R | 31.8 | Very low | 43.5 | Very low | 246 Ų | 246 | 122.1 Ų | 122.1 | 93% | 0.928 | 69% | 0.693 | S | S | * | * | trans | -155.1 | 157.2 | 149.1 | -118.3 | 178.4 | -172 | -149.2 | 0.1 | 113.6 | P863 | P863-R865 PolarHBondContact O-N 3.46Š| ||
| 866 | D | 30.7 | Very low | 43.7 | Very low | 120 Ų | 120 | 120.9 Ų | 120.9 | 64% | 0.642 | 69% | 0.69 | S | S | * | * | trans | -79.7 | 142.5 | -156.7 | -85.6 | -97 | 0 | 0 | 0 | 118.6 | ||||
| 867 | K | 32.4 | Very low | 43.6 | Very low | 183 Ų | 183 | 120.3 Ų | 120.3 | 80% | 0.796 | 69% | 0.687 | S | S | * | * | trans | 62.9 | 108.9 | 138.2 | -64.9 | 170.4 | 178.5 | 109.4 | 0 | 119.8 | ||||
| 868 | A | 28.5 | Very low | 43.8 | Very low | 97 Ų | 97 | 120.6 Ų | 120.6 | 80% | 0.802 | 68% | 0.677 | S | S | * | * | -168.5 | 132.2 | 93.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 869 | N | 38.2 | Very low | 44.2 | Very low | 165 Ų | 165 | 120.4 Ų | 120.4 | 88% | 0.882 | 67% | 0.672 | S | S | * | * | trans | -90.3 | 141.1 | 164.5 | -72 | -34.7 | 0 | 0 | 0 | 108.6 | ||||
| 870 | P | 38 | Very low | 44.8 | Very low | 121 Ų | 121 | 118.9 Ų | 118.9 | 79% | 0.786 | 67% | 0.665 | S | S | * | * | -155.9 | -166.2 | 79.9 | 42 | -22.4 | 0 | 0 | 0 | 114.6 | |||||
| 871 | P | 40.1 | Very low | 45.4 | Very low | 114 Ų | 114 | 126.6 Ų | 126.6 | 74% | 0.74 | 68% | 0.678 | S | S | * | * | cis | -112.8 | 169.7 | -47.2 | 35.8 | -23.9 | 0 | 0 | 0 | 111.8 | V873 | P871-V873 PolarHBondContact O-N 2.91Š| ||
| 872 | S | 41.8 | Very low | 46 | Very low | 120 Ų | 120 | 126.3 Ų | 126.3 | 84% | 0.839 | 68% | 0.677 | S | S | * | * | trans | -74.8 | 108.4 | -177.6 | 42.8 | 0 | 0 | 0 | 0 | 114.2 | S874 | S872-S874 PolarHBondContact O-N 3.49Å; S872-S874 VanDerWaalsContact O-N 3.16Å | ||
| 873 | V | 41.1 | Very low | 46.3 | Very low | 96 Ų | 96 | 122.2 Ų | 122.2 | 58% | 0.582 | 67% | 0.668 | S | S | * | * | trans | -77 | 99.9 | 169.3 | -167 | 0 | 0 | 0 | 0 | 109.5 | P871 E877 R878 | P871-V873 PolarHBondContact O-N 2.91Å; V873-E877 HydrophobicContact CG1-CB 3.99Å; V873-E877 HydrophobicContact CG1-CG 4.08Å; V873-R878 PolarHBondContact O-NH2 2.87Å | ||
| 874 | S | 51.7 | Low | 46.6 | Very low | 63 Ų | 63 | 125 Ų | 125 | 44% | 0.441 | 67% | 0.67 | S | S | . | * | trans | -62.2 | 160.3 | -167.1 | 75.6 | 0 | 0 | 0 | 0 | 114.4 | S872 V876 E877 | S872-S874 PolarHBondContact O-N 3.49Å; S872-S874 VanDerWaalsContact O-N 3.16Å; S874-V876 PolarHBondContact O-N 2.98Å; S874-V876 VanDerWaalsContact O-N 3.14Å; S874-E877 PolarHBondContact O-N 3.45Å; S874-E877 VanDerWaalsContact O-N 3.12Å | ||
| 875 | L | 53.8 | Low | 46.8 | Very low | 127 Ų | 127 | 126.3 Ų | 126.3 | 67% | 0.665 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -53.6 | -34.3 | 178.8 | -158.5 | 80.1 | 0 | 0 | 0 | 112.4 | E877 R878 L879 | L875-E877 VanDerWaalsContact C-N 3.32Å; L875-E877 PolarHBondContact O-N 3.32Å; L875-R878 WeakPolarHBondContact O-CB 3.18Å; L875-R878 PolarHBondContact O-N 3.3Å; L875-R878 VanDerWaalsContact O-N 3.12Å; L875-L879 HydrophobicContact CD2-CD1 4.19Å; L875-L879 HydrophobicContact CG-CD1 4.25Å; L875-L879 WeakPolarHBondContact O-CG 3.34Å; L875-L879 PolarHBondContact O-N 3.41Å |
| 876 | V | 58.8 | Low | 47.1 | Very low | 84 Ų | 84 | 124.5 Ų | 124.5 | 51% | 0.509 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -59.8 | -39.1 | -179.6 | -172.3 | 0 | 0 | 0 | 0 | 112 | S874 R878 L879 R880 | S874-V876 PolarHBondContact O-N 2.98Å; S874-V876 VanDerWaalsContact O-N 3.14Å; V876-R878 VanDerWaalsContact C-N 3.29Å; V876-R878 PolarHBondContact O-N 3.35Å; V876-L879 PolarHBondContact O-N 3.47Å; V876-R880 WeakPolarHBondContact O-CB 3.07Å; V876-R880 PolarHBondContact O-N 2.61Å |
| 877 | E | 55.7 | Low | 47.2 | Very low | 70 Ų | 70 | 125.5 Ų | 125.5 | 33% | 0.327 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -68.2 | -32.4 | 179 | -155.7 | 61.1 | -129.7 | 0 | 0 | 111.7 | V873 S874 L875 R880 R881 | V873-E877 HydrophobicContact CG1-CB 3.99Å; V873-E877 HydrophobicContact CG1-CG 4.08Å; S874-E877 PolarHBondContact O-N 3.45Å; S874-E877 VanDerWaalsContact O-N 3.12Å; L875-E877 VanDerWaalsContact C-N 3.32Å; L875-E877 PolarHBondContact O-N 3.32Å; E877-R880 IonicContact OE1-CZ 3.68Å; E877-R880 IonicContact OE1-NH1 2.75Å; E877-R880 PolarHBondContact OE1-NH1 3.36Å; E877-R880 IonicContact OE2-CZ 3.37Å; E877-R880 IonicContact OE2-NH1 3Å; E877-R880 PolarHBondContact OE2-NH1 2.79Å; E877-R880 IonicContact OE2-NH2 3.29Å; E877-R881 WeakPolarHBondContact O-CG 3.4Å; E877-R881 PolarHBondContact O-N 2.85Å |
| 878 | R | 57.2 | Low | 47.3 | Very low | 156 Ų | 156 | 123.3 Ų | 123.3 | 59% | 0.589 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -71.8 | -47 | 175.3 | -114.1 | 166.7 | -74.5 | -142.8 | -2.3 | 111.5 | V873 L875 V876 R880 R881 L882 | V873-R878 PolarHBondContact O-NH2 2.87Å; L875-R878 WeakPolarHBondContact O-CB 3.18Å; L875-R878 PolarHBondContact O-N 3.3Å; L875-R878 VanDerWaalsContact O-N 3.12Å; V876-R878 VanDerWaalsContact C-N 3.29Å; V876-R878 PolarHBondContact O-N 3.35Å; R878-R880 VanDerWaalsContact C-N 3.33Å; R878-R880 PolarHBondContact O-N 2.91Å; R878-R881 PolarHBondContact O-N 2.95Å; R878-L882 PolarHBondContact O-N 3.02Å |
| 879 | L | 63.7 | Low | 47.5 | Very low | 89 Ų | 89 | 126 Ų | 126 | 47% | 0.466 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -61.4 | -39.6 | 176.5 | -70.2 | 166 | 0 | 0 | 0 | 112 | L875 V876 R881 L882 | L875-L879 HydrophobicContact CD2-CD1 4.19Å; L875-L879 HydrophobicContact CG-CD1 4.25Å; L875-L879 WeakPolarHBondContact O-CG 3.34Å; L875-L879 PolarHBondContact O-N 3.41Å; V876-L879 PolarHBondContact O-N 3.47Å; L879-R881 VanDerWaalsContact C-N 3.27Å; L879-R881 PolarHBondContact O-N 3.24Å; L879-L882 PolarHBondContact O-N 3.21Å |
| 880 | R | 62.5 | Low | 46.9 | Very low | 133 Ų | 133 | 125.7 Ų | 125.7 | 50% | 0.502 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -61.9 | -32 | 176.3 | -163.5 | -176 | -59.6 | 129.9 | 2.9 | 113 | V876 E877 R878 L882 | V876-R880 WeakPolarHBondContact O-CB 3.07Å; V876-R880 PolarHBondContact O-N 2.61Å; E877-R880 IonicContact OE1-CZ 3.68Å; E877-R880 IonicContact OE1-NH1 2.75Å; E877-R880 PolarHBondContact OE1-NH1 3.36Å; E877-R880 IonicContact OE2-CZ 3.37Å; E877-R880 IonicContact OE2-NH1 3Å; E877-R880 PolarHBondContact OE2-NH1 2.79Å; E877-R880 IonicContact OE2-NH2 3.29Å; R878-R880 VanDerWaalsContact C-N 3.33Å; R878-R880 PolarHBondContact O-N 2.91Å; R880-L882 VanDerWaalsContact C-N 3.31Å |
| 881 | R | 62.2 | Low | 46.7 | Very low | 214 Ų | 214 | 125.3 Ų | 125.3 | 81% | 0.808 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -77 | -12.7 | 175.3 | -71.9 | -178.6 | 179.7 | -158.7 | -0.6 | 114.2 | E877 R878 L879 | E877-R881 WeakPolarHBondContact O-CG 3.4Å; E877-R881 PolarHBondContact O-N 2.85Å; R878-R881 PolarHBondContact O-N 2.95Å; L879-R881 VanDerWaalsContact C-N 3.27Å; L879-R881 PolarHBondContact O-N 3.24Å |
| 882 | L | 57.1 | Low | 46.1 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 65% | 0.654 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | 12 | 178.7 | -67.9 | 169.4 | 0 | 0 | 0 | 113.5 | R878 L879 R880 F884 | R878-L882 PolarHBondContact O-N 3.02Å; L879-L882 PolarHBondContact O-N 3.21Å; R880-L882 VanDerWaalsContact C-N 3.31Å; L882-F884 HydrophobicContact CB-CD2 4.31Å; L882-F884 HydrophobicContact CB-CE2 4.47Å |
| 883 | G | 50.7 | Low | 45.6 | Very low | 57 Ų | 57 | 128.2 Ų | 128.2 | 59% | 0.588 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89.4 | -2.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | T885 | G883-T885 PolarHBondContact O-N 3.15Š|
| 884 | F | 43.9 | Very low | 45 | Very low | 172 Ų | 172 | 131 Ų | 131 | 75% | 0.754 | 68% | 0.676 | S | S | * | * | trans | -78.2 | 89.6 | -180 | -66.7 | -81.9 | 0 | 0 | 0 | 112.2 | L882 | L882-F884 HydrophobicContact CB-CD2 4.31Å; L882-F884 HydrophobicContact CB-CE2 4.47Å | ||
| 885 | T | 43.2 | Very low | 44 | Very low | 101 Ų | 101 | 134 Ų | 134 | 62% | 0.62 | 69% | 0.692 | S | S | * | * | trans | -130.1 | 77.3 | 177.3 | 53.1 | 0 | 0 | 0 | 0 | 113.8 | G883 | G883-T885 PolarHBondContact O-N 3.15Š| ||
| 886 | K | 38.3 | Very low | 43.1 | Very low | 207 Ų | 207 | 134 Ų | 134 | 90% | 0.9 | 70% | 0.7 | S | S | * | * | trans | 177.2 | 138 | 160.7 | -89.5 | 136.2 | -170.2 | 176.9 | 0 | 105.3 | ||||
| 887 | V | 31.3 | Very low | 41.9 | Very low | 142 Ų | 142 | 136.2 Ų | 136.2 | 86% | 0.861 | 71% | 0.713 | S | S | * | * | cis | -119.5 | 167.6 | 12 | 176.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 888 | L | 35.8 | Very low | 41.1 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 72% | 0.717 | 73% | 0.732 | S | S | * | * | trans | -136.5 | 153.7 | -174.4 | -111.7 | 175.3 | 0 | 0 | 0 | 112.9 | ||||
| 889 | H | 32.7 | Very low | 39.6 | Very low | 153 Ų | 153 | 139.2 Ų | 139.2 | 71% | 0.708 | 74% | 0.743 | S | S | * | * | trans | 65.9 | 114.5 | 167.2 | -58.8 | 116.8 | 0 | 0 | 0 | 120 | ||||
| 890 | N | 25.7 | Very low | 38 | Very low | 159 Ų | 159 | 142.4 Ų | 142.4 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | -179.6 | 144.6 | 106.7 | -82.7 | -13.4 | 0 | 0 | 0 | 107.9 | |||||
| 891 | S | 32.9 | Very low | 36.3 | Very low | 113 Ų | 113 | 143.4 Ų | 143.4 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | cis | -159.2 | 163.8 | -9.5 | 44.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 892 | E | 28.3 | Very low | 34.8 | Very low | 186 Ų | 186 | 138.5 Ų | 138.5 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | trans | -90.3 | -174.7 | -170.3 | -62.4 | 171.3 | 105.1 | 0 | 0 | 115.2 | ||||
| 893 | S | 31.4 | Very low | 33.6 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | 78.3 | 143.9 | 171.1 | 75.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 894 | D | 28.9 | Very low | 32.7 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | cis | -154.4 | 171.1 | -8.3 | -124.8 | -32.5 | 0 | 0 | 0 | 112.3 | ||||
| 895 | T | 29.3 | Very low | 32 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | trans | -109.9 | 150.7 | 175.7 | 67.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 896 | P | 35.8 | Very low | 31.3 | Very low | 128 Ų | 128 | 143 Ų | 143 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | -148.2 | 177.8 | 83.8 | 36.7 | -16.4 | 0 | 0 | 0 | 116.3 | |||||
| 897 | V | 33 | Very low | 30.9 | Very low | 131 Ų | 131 | 138.5 Ų | 138.5 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -96.8 | 160.9 | -172.9 | -144.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 898 | P | 39.9 | Very low | 30.9 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | -148.6 | 155.3 | 98.6 | 37.7 | -21.2 | 0 | 0 | 0 | 117.5 | |||||
| 899 | H | 25.5 | Very low | 30.5 | Very low | 179 Ų | 179 | 133.6 Ų | 133.6 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | trans | 34.1 | 128.2 | 155.4 | -67.8 | -77.3 | 0 | 0 | 0 | 121.4 | ||||
| 900 | Q | 29.2 | Very low | 30.3 | Very low | 156 Ų | 156 | 130.4 Ų | 130.4 | 73% | 0.729 | 80% | 0.797 | S | S | * | * | -159.1 | 163.8 | 78.5 | -102 | -173.2 | -65.2 | 0 | 0 | 115.6 | |||||
| 901 | E | 26.1 | Very low | 30.4 | Very low | 154 Ų | 154 | 126.6 Ų | 126.6 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | trans | 4.4 | 152.8 | 145.2 | -67.8 | 152.8 | -115.8 | 0 | 0 | 121 | ||||
| 902 | S | 32.6 | Very low | 30.4 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | cis | -166.9 | -176.4 | -3.2 | -103.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 903 | A | 30.8 | Very low | 30.7 | Very low | 87 Ų | 87 | 124.6 Ų | 124.6 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | trans | -67.6 | 173.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 904 | T | 31.2 | Very low | 31 | Very low | 132 Ų | 132 | 127 Ų | 127 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | -169.2 | 162.1 | 85.3 | -60 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 905 | F | 29.9 | Very low | 31 | Very low | 189 Ų | 189 | 127.5 Ų | 127.5 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | -74.3 | 170 | 174.8 | -74.5 | -120.8 | 0 | 0 | 0 | 114 | ||||
| 906 | V | 27.9 | Very low | 31 | Very low | 141 Ų | 141 | 124 Ų | 124 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | 157.2 | 156.8 | 114.9 | 167.7 | 0 | 0 | 0 | 0 | 111 | |||||
| 907 | S | 31.8 | Very low | 31 | Very low | 113 Ų | 113 | 126 Ų | 126 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -102.2 | -163.1 | -174.1 | -167.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 908 | A | 30.3 | Very low | 31.3 | Very low | 101 Ų | 101 | 129.1 Ų | 129.1 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | 78.7 | 150.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 909 | G | 27.1 | Very low | 31.2 | Very low | 74 Ų | 74 | 132.9 Ų | 132.9 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | cis | 165.6 | 161.7 | -6.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 910 | G | 28.6 | Very low | 31.5 | Very low | 86 Ų | 86 | 130.6 Ų | 130.6 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | trans | 72.7 | 175.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 911 | G | 28.6 | Very low | 31.7 | Very low | 79 Ų | 79 | 132.6 Ų | 132.6 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | cis | 179.8 | 153.1 | -3.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 912 | S | 33.4 | Very low | 32.1 | Very low | 112 Ų | 112 | 130 Ų | 130 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | -66.7 | 154.9 | 178 | -175.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 913 | L | 33.4 | Very low | 32.2 | Very low | 146 Ų | 146 | 132 Ų | 132 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | 173 | 135.8 | 118.7 | -87.9 | 160.4 | 0 | 0 | 0 | 114.3 | |||||
| 914 | M | 37.4 | Very low | 33.1 | Very low | 158 Ų | 158 | 134 Ų | 134 | 78% | 0.778 | 79% | 0.792 | S | S | * | * | trans | 46.3 | 112.4 | 147.1 | -57.9 | -52.1 | -175.5 | 0 | 0 | 123.1 | ||||
| 915 | D | 30.1 | Very low | 33.1 | Very low | 165 Ų | 165 | 131.9 Ų | 131.9 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | 48.7 | 138.1 | 106.4 | -163 | 25.7 | 0 | 0 | 0 | 121.5 | |||||
| 916 | G | 29.1 | Very low | 33.2 | Very low | 51 Ų | 51 | 131.1 Ų | 131.1 | 53% | 0.526 | 79% | 0.789 | S | S | . | * | trans | 101.1 | 96.2 | 158.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 917 | L | 35.8 | Very low | 33.5 | Very low | 172 Ų | 172 | 132.4 Ų | 132.4 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | -168.1 | 98.7 | 105.7 | -121.1 | 75.5 | 0 | 0 | 0 | 114.9 | |||||
| 918 | R | 37.8 | Very low | 33.3 | Very low | 195 Ų | 195 | 130.3 Ų | 130.3 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | 12.7 | 131.8 | 135.5 | -68.3 | -178.4 | 177.3 | -81 | 3.2 | 120.8 | ||||
| 919 | R | 39 | Very low | 33.4 | Very low | 189 Ų | 189 | 130.2 Ų | 130.2 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | 93.4 | 118.7 | 130.7 | -76.2 | 168 | 174.9 | 153.3 | -4.8 | 121.9 | ||||
| 920 | N | 30.8 | Very low | 33.8 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | 70 | 118.7 | 128.1 | -55.7 | -3.1 | 0 | 0 | 0 | 121.2 | |||||
| 921 | Q | 35.1 | Very low | 34 | Very low | 197 Ų | 197 | 139.3 Ų | 139.3 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | -157.8 | 175.4 | 108.7 | -106.4 | 159.5 | 108.1 | 0 | 0 | 111.7 | |||||
| 922 | S | 34.2 | Very low | 34.1 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | -159.4 | 179.4 | -147.5 | 54.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 923 | L | 34.6 | Very low | 33.9 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | trans | 81.8 | 161.4 | 166.5 | -60.7 | -172.8 | 0 | 0 | 0 | 116.3 | ||||
| 924 | P | 48.1 | Very low | 33.9 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | cis | -125.4 | -167.5 | 15.7 | 40.8 | -22.9 | 0 | 0 | 0 | 117.2 | ||||
| 925 | A | 32.4 | Very low | 33.5 | Very low | 87 Ų | 87 | 138.5 Ų | 138.5 | 72% | 0.719 | 79% | 0.788 | S | S | * | * | trans | -143.4 | 173.5 | -157.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 926 | M | 32.3 | Very low | 33.6 | Very low | 173 Ų | 173 | 137.4 Ų | 137.4 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | trans | -142.9 | 131.2 | 163.7 | -72.3 | -157.5 | -61.8 | 0 | 0 | 108 | ||||
| 927 | I | 33.4 | Very low | 33.6 | Very low | 168 Ų | 168 | 138.4 Ų | 138.4 | 86% | 0.862 | 80% | 0.797 | S | S | * | * | 101 | 122 | 51.5 | -75.2 | 167.1 | 0 | 0 | 0 | 112.6 | |||||
| 928 | G | 28.7 | Very low | 33.5 | Very low | 69 Ų | 69 | 139.3 Ų | 139.3 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | 126.7 | 100.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 929 | A | 32.1 | Very low | 34.4 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | 73.3 | 135.2 | 69.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 930 | R | 34.8 | Very low | 34.9 | Very low | 242 Ų | 242 | 130.9 Ų | 130.9 | 91% | 0.913 | 79% | 0.792 | S | S | * | * | cis | -168.1 | 144.4 | 6.3 | -134.3 | 179.5 | -179.1 | -154.5 | 1.9 | 112.8 | ||||
| 931 | A | 32.2 | Very low | 34.8 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | 59.9 | 150.8 | 157 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 932 | G | 30.6 | Very low | 35.5 | Very low | 69 Ų | 69 | 128.1 Ų | 128.1 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | cis | 167.9 | 174.3 | -11.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 933 | S | 30.6 | Very low | 35.4 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | 87.6 | 120 | 163.2 | 80.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 934 | K | 32.3 | Very low | 35.2 | Very low | 201 Ų | 201 | 126.7 Ų | 126.7 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | 61.3 | 142.2 | 141.3 | -66 | 178.7 | -178.2 | 179.9 | 0 | 120.6 | ||||
| 935 | S | 30.4 | Very low | 34.3 | Very low | 97 Ų | 97 | 128.6 Ų | 128.6 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | cis | -167.7 | 177.5 | -8 | 54.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 936 | T | 30.5 | Very low | 34.1 | Very low | 141 Ų | 141 | 129.1 Ų | 129.1 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | trans | 81.2 | 122.8 | 152.8 | 13.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 937 | G | 30.5 | Very low | 34.1 | Very low | 72 Ų | 72 | 128.7 Ų | 128.7 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | 141.3 | 113.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 938 | H | 32.4 | Very low | 34.4 | Very low | 192 Ų | 192 | 126.1 Ų | 126.1 | 89% | 0.889 | 78% | 0.781 | S | S | * | * | trans | -132.5 | 160.9 | -179.8 | -106 | -94.1 | 0 | 0 | 0 | 112.1 | ||||
| 939 | P | 57.1 | Low | 35.2 | Very low | 99 Ų | 99 | 128.2 Ų | 128.2 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | trans | -97.7 | -170.5 | -167.6 | 43.8 | -38.9 | 0 | 0 | 0 | 112.7 | ||||
| 940 | P | 50.6 | Low | 36.5 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | -155.6 | 164.1 | 82 | 40.5 | -19.7 | 0 | 0 | 0 | 118.9 | |||||
| 941 | H | 27.7 | Very low | 36.7 | Very low | 168 Ų | 168 | 122.7 Ų | 122.7 | 78% | 0.778 | 77% | 0.769 | S | S | * | * | trans | 23.7 | 172.8 | 133.1 | -58 | -58.2 | 0 | 0 | 0 | 124.1 | ||||
| 942 | P | 50.7 | Low | 36.5 | Very low | 103 Ų | 103 | 129.2 Ų | 129.2 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | cis | -144.9 | 177.7 | -38 | 37.1 | -17.4 | 0 | 0 | 0 | 117.2 | ||||
| 943 | T | 31.8 | Very low | 36.4 | Very low | 122 Ų | 122 | 129 Ų | 129 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | 68.5 | 131.5 | 147.1 | 32.2 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 944 | S | 29 | Very low | 36.5 | Very low | 100 Ų | 100 | 130.5 Ų | 130.5 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | 83.2 | 131.4 | 129 | -75 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 945 | L | 29.8 | Very low | 36.4 | Very low | 170 Ų | 170 | 127.7 Ų | 127.7 | 89% | 0.89 | 76% | 0.762 | S | S | * | * | trans | 83.6 | 151.4 | 138.9 | -72.1 | 166.6 | 0 | 0 | 0 | 122.8 | ||||
| 946 | A | 28.4 | Very low | 36.4 | Very low | 97 Ų | 97 | 131.2 Ų | 131.2 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | trans | 87.6 | 103.8 | 156.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 947 | I | 33 | Very low | 36.4 | Very low | 164 Ų | 164 | 130 Ų | 130 | 84% | 0.841 | 75% | 0.75 | S | S | * | * | trans | -70.3 | 141.6 | 151.9 | -63.8 | 153.1 | 0 | 0 | 0 | 108 | ||||
| 948 | P | 39.3 | Very low | 36.4 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 75% | 0.747 | 75% | 0.747 | S | S | * | * | -155.9 | -148.6 | 92.3 | 46.8 | -23.1 | 0 | 0 | 0 | 114.8 | |||||
| 949 | P | 45.4 | Very low | 36.3 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | -130 | -168.1 | -118.7 | 40.4 | -15.7 | 0 | 0 | 0 | 114.4 | |||||
| 950 | P | 60.4 | Low | 35.1 | Very low | 110 Ų | 110 | 137 Ų | 137 | 71% | 0.714 | 73% | 0.733 | S | S | * | * | trans | -101.1 | 161.3 | -165.9 | 38.8 | -35 | 0 | 0 | 0 | 116.5 | ||||
| 951 | P | 37.6 | Very low | 34.1 | Very low | 116 Ų | 116 | 139.3 Ų | 139.3 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | trans | -126.5 | 134.7 | 148.8 | 34.7 | -21.6 | 0 | 0 | 0 | 112 | ||||
| 952 | W | 28.8 | Very low | 34.3 | Very low | 245 Ų | 245 | 138.8 Ų | 138.8 | 93% | 0.928 | 74% | 0.736 | S | S | * | * | 80 | 118.7 | 57.3 | -84.9 | 68.7 | 0 | 0 | 0 | 116.5 | |||||
| 953 | G | 29.1 | Very low | 33.3 | Very low | 65 Ų | 65 | 138 Ų | 138 | 67% | 0.67 | 74% | 0.738 | S | S | * | * | trans | 85.8 | 163.3 | 157.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 954 | N | 31.1 | Very low | 33.2 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | cis | -154 | 135.4 | -3.8 | -94.7 | -60.7 | 0 | 0 | 0 | 108.3 | ||||
| 955 | L | 30.4 | Very low | 33.2 | Very low | 141 Ų | 141 | 140.1 Ų | 140.1 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | 77.8 | 133.2 | 71.5 | -153.1 | 165.5 | 0 | 0 | 0 | 113 | |||||
| 956 | K | 30 | Very low | 33.3 | Very low | 171 Ų | 171 | 136.4 Ų | 136.4 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | trans | 103.8 | 144.9 | 172.2 | -66 | -166.9 | 169.3 | -156.1 | 0 | 116.9 | ||||
| 957 | E | 30.8 | Very low | 33.6 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 55% | 0.547 | 73% | 0.734 | S | S | . | * | cis | -165.6 | 162.4 | -14.7 | -129.3 | -177.3 | 96.4 | 0 | 0 | 110.2 | ||||
| 958 | R | 30.3 | Very low | 34.6 | Very low | 180 Ų | 180 | 137.8 Ų | 137.8 | 68% | 0.679 | 73% | 0.727 | S | S | * | * | trans | 71 | 154.8 | 148.8 | -75.3 | 176 | 177.1 | -160.4 | -1 | 119.2 | ||||
| 959 | R | 30.1 | Very low | 35.3 | Very low | 158 Ų | 158 | 138.3 Ų | 138.3 | 60% | 0.596 | 73% | 0.731 | S | S | * | * | cis | -162.4 | 140.1 | -3.8 | -132.3 | 170.6 | 172.3 | 179.5 | 176 | 115.4 | ||||
| 960 | R | 32.9 | Very low | 34.7 | Very low | 172 Ų | 172 | 144.7 Ų | 144.7 | 65% | 0.649 | 74% | 0.74 | S | S | * | * | trans | 69.2 | 123.1 | 141.9 | -88.8 | -176.2 | -51 | -178 | 6 | 123.8 | ||||
| 961 | H | 29.6 | Very low | 33.5 | Very low | 155 Ų | 155 | 144.9 Ų | 144.9 | 72% | 0.718 | 75% | 0.745 | S | S | * | * | trans | 65.5 | 159.7 | 141.9 | -56.9 | -54.7 | 0 | 0 | 0 | 121.1 | ||||
| 962 | L | 32.5 | Very low | 33.6 | Very low | 158 Ų | 158 | 148.5 Ų | 148.5 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | cis | -177.3 | 148.8 | -48.9 | -121.7 | 171.5 | 0 | 0 | 0 | 109.5 | ||||
| 963 | A | 28.2 | Very low | 33.8 | Very low | 87 Ų | 87 | 143.7 Ų | 143.7 | 72% | 0.719 | 77% | 0.765 | S | S | * | * | trans | 69.6 | 149.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 964 | S | 30.8 | Very low | 34.1 | Very low | 108 Ų | 108 | 147.8 Ų | 147.8 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | cis | -169.2 | 159.8 | -9.3 | -108.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 965 | I | 29.6 | Very low | 34.2 | Very low | 157 Ų | 157 | 148.1 Ų | 148.1 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | trans | 101.2 | 100.2 | 153.9 | -67.1 | 150.4 | 0 | 0 | 0 | 121.8 | ||||
| 966 | S | 31 | Very low | 34.4 | Very low | 92 Ų | 92 | 148.5 Ų | 148.5 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | trans | 41.4 | 126.6 | 137.4 | 74.6 | 0 | 0 | 0 | 0 | 127.6 | ||||
| 967 | H | 35 | Very low | 34.7 | Very low | 183 Ų | 183 | 147.1 Ų | 147.1 | 85% | 0.847 | 77% | 0.773 | S | S | * | * | 52.4 | 166.6 | 122.6 | -65.3 | -59.9 | 0 | 0 | 0 | 123.5 | |||||
| 968 | P | 54.2 | Low | 35 | Very low | 107 Ų | 107 | 149.1 Ų | 149.1 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | cis | -132.5 | 162 | -45.7 | 39.5 | -25 | 0 | 0 | 0 | 112.4 | ||||
| 969 | P | 53.8 | Low | 35.3 | Very low | 126 Ų | 126 | 146.9 Ų | 146.9 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | -159.7 | -163.7 | 92.3 | 42.8 | -21.7 | 0 | 0 | 0 | 115.8 | |||||
| 970 | R | 33.4 | Very low | 35.7 | Very low | 246 Ų | 246 | 146 Ų | 146 | 93% | 0.928 | 81% | 0.812 | S | S | * | * | trans | 85.6 | 101.7 | 166.5 | -83.6 | -168.9 | 169 | -156.5 | -4.1 | 120.4 | ||||
| 971 | S | 34.4 | Very low | 35.9 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | -161.1 | 156.7 | 145.1 | 47.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 972 | S | 38.9 | Very low | 36.5 | Very low | 192 Ų | 192 | 142.8 Ų | 142.8 | 100% | 1.343 | 84% | 0.835 | S | S | * | * | cis | -147.8 | 0 | -19.2 | -96.8 | 0 | 0 | 0 | 0 | 107.9 |
Retrieved 972 of 972 residues in 735.2 ms
(Link to these results)