| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.5 | Very low | 42.2 | Very low | 246 Ų | 246 | 146 Ų | 146 | 100% | 1.212 | 86% | 0.856 | S | S | * | * | 0 | 134.6 | 0 | -67.6 | 161.1 | 80.2 | 0 | 0 | 106.9 | |||||
| 2 | A | 40 | Very low | 42.4 | Very low | 95 Ų | 95 | 143.3 Ų | 143.3 | 79% | 0.785 | 85% | 0.846 | S | S | * | * | cis | -151.9 | 138.7 | -16.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 3 | E | 48 | Very low | 42.4 | Very low | 198 Ų | 198 | 146.9 Ų | 146.9 | 93% | 0.925 | 85% | 0.85 | S | S | * | * | trans | -77.4 | 150.8 | 162.8 | -65.3 | -175.5 | 133.4 | 0 | 0 | 108.8 | ||||
| 4 | Q | 43.1 | Very low | 41.9 | Very low | 197 Ų | 197 | 144.1 Ų | 144.1 | 92% | 0.921 | 84% | 0.843 | S | S | * | * | trans | -138.7 | 135 | 163.3 | -113.2 | 176.4 | 8.5 | 0 | 0 | 109.9 | ||||
| 5 | D | 48.1 | Very low | 41.9 | Very low | 175 Ų | 175 | 147.2 Ų | 147.2 | 94% | 0.936 | 85% | 0.846 | S | S | * | * | trans | -73.4 | 161.6 | -173.5 | -87.2 | -65.2 | 0 | 0 | 0 | 114.1 | ||||
| 6 | G | 38.8 | Very low | 41.3 | Very low | 65 Ų | 65 | 143.8 Ų | 143.8 | 67% | 0.67 | 84% | 0.841 | S | S | * | * | trans | 120.3 | 135.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 7 | S | 36.1 | Very low | 40.9 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 79% | 0.79 | 84% | 0.84 | S | S | * | * | cis | -153.4 | 169.8 | 0.5 | -48.4 | 0 | 0 | 0 | 0 | 110.3 | T9 | S7-T9 PolarHBondContact O-N 2.86Š| ||
| 8 | D | 44.4 | Very low | 40.2 | Very low | 161 Ų | 161 | 146.1 Ų | 146.1 | 86% | 0.861 | 84% | 0.839 | S | S | * | * | trans | -47.7 | 134.8 | 167.9 | -83.8 | -68.6 | 0 | 0 | 0 | 113.1 | ||||
| 9 | T | 39.3 | Very low | 39.8 | Very low | 133 Ų | 133 | 144.2 Ų | 144.2 | 82% | 0.816 | 84% | 0.835 | S | S | * | * | trans | -146 | 113.2 | 154.9 | 1.4 | 0 | 0 | 0 | 0 | 109.2 | S7 | S7-T9 PolarHBondContact O-N 2.86Š| ||
| 10 | S | 40.1 | Very low | 39.4 | Very low | 107 Ų | 107 | 145.1 Ų | 145.1 | 75% | 0.748 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 138.2 | 173.4 | -63.7 | 0 | 0 | 0 | 0 | 109.9 | ||
| 11 | P | 49.7 | Very low | 38.9 | Very low | 116 Ų | 116 | 148.1 Ų | 148.1 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 139 | 172 | 29.4 | -33.8 | 0 | 0 | 0 | 110.1 | ||
| 12 | P | 44.5 | Very low | 38.8 | Very low | 114 Ų | 114 | 145.4 Ų | 145.4 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 141.6 | 179.2 | 28.9 | -34.4 | 0 | 0 | 0 | 112.1 | S14 | P12-S14 PolarHBondContact O-N 3.43Š|
| 13 | E | 41.9 | Very low | 38.5 | Very low | 190 Ų | 190 | 145.1 Ų | 145.1 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | -73.4 | 86.5 | 170.9 | -70.7 | -171.1 | 115.2 | 0 | 0 | 111.1 | Q15 | E13-Q15 PolarHBondContact O-N 3.05Š| ||
| 14 | S | 36.6 | Very low | 37.8 | Very low | 108 Ų | 108 | 142.1 Ų | 142.1 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -70.4 | 97.3 | 168.5 | -67.9 | 0 | 0 | 0 | 0 | 110.7 | P12 A16 | P12-S14 PolarHBondContact O-N 3.43Å; S14-A16 PolarHBondContact O-N 3.03Å | ||
| 15 | Q | 41.2 | Very low | 37.6 | Very low | 190 Ų | 190 | 140.3 Ų | 140.3 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | -63.5 | 95.6 | 168.2 | -70.6 | -173.5 | -5 | 0 | 0 | 110.5 | E13 | E13-Q15 PolarHBondContact O-N 3.05Š| ||
| 16 | A | 32.7 | Very low | 36.9 | Very low | 92 Ų | 92 | 135.4 Ų | 135.4 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | trans | -91.2 | 103.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110 | S14 Y18 | S14-A16 PolarHBondContact O-N 3.03Å; A16-Y18 PolarHBondContact O-N 2.86Å | ||
| 17 | S | 33.7 | Very low | 37.2 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -58.8 | 117 | 176.6 | -65.7 | 0 | 0 | 0 | 0 | 111.4 | S19 | S17-S19 PolarHBondContact O-N 2.78Š| ||
| 18 | Y | 28 | Very low | 37 | Very low | 211 Ų | 211 | 142.7 Ų | 142.7 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | -72.7 | 90.9 | 176.1 | -174.8 | -99 | 0 | 0 | 0 | 110.3 | A16 Q20 | A16-Y18 PolarHBondContact O-N 2.86Å; Y18-Q20 PolarHBondContact O-N 3.32Å | ||
| 19 | S | 32.8 | Very low | 36.8 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -64.1 | 120.1 | 172.5 | -172 | 0 | 0 | 0 | 0 | 109.9 | S17 Y21 | S17-S19 PolarHBondContact O-N 2.78Å; S19-Y21 PolarHBondContact O-N 3.3Å | ||
| 20 | Q | 32.7 | Very low | 36.6 | Very low | 163 Ų | 163 | 140.2 Ų | 140.2 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -85.2 | 94.8 | -170.3 | -174.7 | 172.9 | -16.2 | 0 | 0 | 110.6 | Y18 R22 | Y18-Q20 PolarHBondContact O-N 3.32Å; Q20-R22 PolarHBondContact O-N 2.94Å | ||
| 21 | Y | 29.5 | Very low | 36.3 | Very low | 208 Ų | 208 | 139.2 Ų | 139.2 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | trans | -65.9 | 98.4 | 179 | -153.2 | -85.9 | 0 | 0 | 0 | 111 | S19 | S19-Y21 PolarHBondContact O-N 3.3Š| ||
| 22 | R | 32.8 | Very low | 35.8 | Very low | 189 Ų | 189 | 140.1 Ų | 140.1 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | trans | -80.8 | 115.2 | 166.1 | -98.9 | -136.1 | -174.3 | -167.4 | 1.8 | 108.9 | Q20 E24 | Q20-R22 PolarHBondContact O-N 2.94Å; R22-E24 WeakPolarHBondContact CD-OE1 3.46Å; R22-E24 IonicContact CZ-OE1 2.89Å; R22-E24 IonicContact NE-OE1 2.67Å; R22-E24 IonicContact NH1-OE1 3.22Å; R22-E24 PolarHBondContact NH1-OE1 3.02Å; R22-E24 IonicContact NH1-OE2 3.37Å | ||
| 23 | S | 34.9 | Very low | 35.1 | Very low | 89 Ų | 89 | 138.6 Ų | 138.6 | 62% | 0.622 | 80% | 0.799 | S | S | * | * | trans | -85.1 | 116.8 | 158.7 | -60.2 | 0 | 0 | 0 | 0 | 108.6 | D25 | S23-D25 PolarHBondContact O-N 3.36Š| ||
| 24 | E | 32 | Very low | 34.7 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 63% | 0.631 | 80% | 0.796 | S | S | * | * | trans | -86.2 | 93.2 | 175.1 | -69.6 | -64.8 | 130.7 | 0 | 0 | 110.3 | R22 | R22-E24 WeakPolarHBondContact CD-OE1 3.46Å; R22-E24 IonicContact CZ-OE1 2.89Å; R22-E24 IonicContact NE-OE1 2.67Å; R22-E24 IonicContact NH1-OE1 3.22Å; R22-E24 PolarHBondContact NH1-OE1 3.02Å; R22-E24 IonicContact NH1-OE2 3.37Å | ||
| 25 | D | 40.7 | Very low | 34.5 | Very low | 160 Ų | 160 | 138.4 Ų | 138.4 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | -110.2 | 94.5 | 167.3 | -94.2 | -58.8 | 0 | 0 | 0 | 109.5 | S23 | S23-D25 PolarHBondContact O-N 3.36Š| ||
| 26 | G | 33.2 | Very low | 34.2 | Very low | 71 Ų | 71 | 140 Ų | 140 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | trans | -145.5 | 69.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G28 | G26-G28 PolarHBondContact O-N 3.32Š| ||
| 27 | R | 43.8 | Very low | 34.5 | Very low | 257 Ų | 257 | 141.2 Ų | 141.2 | 97% | 0.97 | 80% | 0.797 | S | S | * | * | trans | -69.1 | 119.5 | 171.8 | -69.1 | -177.6 | 178.1 | -129.5 | 0.2 | 110.5 | ||||
| 28 | G | 31.8 | Very low | 35.5 | Very low | 74 Ų | 74 | 141.3 Ų | 141.3 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | -129.2 | 126.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | G26 | G26-G28 PolarHBondContact O-N 3.32Š| ||
| 29 | S | 40.8 | Very low | 35.9 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -117.3 | 110.4 | 175.8 | -68.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 30 | S | 34.3 | Very low | 36 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | -169.3 | 130.7 | 157.1 | -77.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 31 | A | 35.6 | Very low | 36.4 | Very low | 86 Ų | 86 | 134.3 Ų | 134.3 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | cis | 103.3 | 116.5 | 35.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 32 | S | 37.4 | Very low | 37 | Very low | 135 Ų | 135 | 130.5 Ų | 130.5 | 94% | 0.944 | 80% | 0.796 | S | S | * | * | trans | 65.2 | 139.6 | 172.6 | 70.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 33 | G | 31.9 | Very low | 37.6 | Very low | 82 Ų | 82 | 128.4 Ų | 128.4 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | 161.6 | 96.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 34 | Q | 33.4 | Very low | 38.4 | Very low | 175 Ų | 175 | 129.6 Ų | 129.6 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -59.2 | 128.4 | -170.2 | -82.1 | 173.4 | 6.7 | 0 | 0 | 119 | ||||
| 35 | T | 32.2 | Very low | 39.5 | Very low | 118 Ų | 118 | 128.6 Ų | 128.6 | 72% | 0.724 | 81% | 0.808 | S | S | * | * | 48.6 | 115 | 123.8 | 65.6 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 36 | Y | 33.6 | Very low | 40.3 | Very low | 225 Ų | 225 | 126 Ų | 126 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | -157 | 142.9 | 128.2 | 19.2 | -108.7 | 0 | 0 | 0 | 111.5 | |||||
| 37 | S | 39.7 | Very low | 40.7 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -135.8 | 156.6 | 174.8 | -57.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 38 | P | 54.2 | Low | 40.9 | Very low | 121 Ų | 121 | 123.6 Ų | 123.6 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | -139.6 | 136.2 | 123.9 | 32.2 | -17.6 | 0 | 0 | 0 | 115.4 | |||||
| 39 | T | 36.5 | Very low | 41.5 | Very low | 146 Ų | 146 | 127.7 Ų | 127.7 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | trans | 51.2 | 119.1 | 136.7 | -45.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 40 | G | 35.2 | Very low | 41.3 | Very low | 75 Ų | 75 | 132.3 Ų | 132.3 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | 176.3 | 32.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 41 | T | 41.1 | Very low | 41.9 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | -90.2 | 144.4 | -178.1 | -21.8 | 0 | 0 | 0 | 0 | 112.5 | I43 | T41-I43 HydrophobicContact CG2-CD1 3.8Å; T41-I43 HydrophobicContact CG2-CG1 3.88Å | ||
| 42 | P | 42.2 | Very low | 42.2 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | -137.4 | 155.8 | 107.6 | 36.6 | -25.4 | 0 | 0 | 0 | 115.2 | |||||
| 43 | I | 44.7 | Very low | 42.3 | Very low | 144 Ų | 144 | 132 Ų | 132 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | trans | -132.2 | 131.5 | 179.3 | -71.2 | 162 | 0 | 0 | 0 | 105.6 | T41 | T41-I43 HydrophobicContact CG2-CD1 3.8Å; T41-I43 HydrophobicContact CG2-CG1 3.88Å | ||
| 44 | P | 51.9 | Low | 43.2 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | -160.3 | -164.2 | 94.8 | 42.8 | -21.8 | 0 | 0 | 0 | 114.6 | |||||
| 45 | P | 54.4 | Low | 43.8 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | cis | -124.1 | 175.3 | -40.9 | 24.5 | -3.8 | 0 | 0 | 0 | 113.2 | ||||
| 46 | P | 58.3 | Low | 44.4 | Very low | 107 Ų | 107 | 135.6 Ų | 135.6 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | trans | -95.9 | -174.2 | 168.2 | 38.6 | -34.7 | 0 | 0 | 0 | 113.8 | ||||
| 47 | I | 41.1 | Very low | 45 | Very low | 157 Ų | 157 | 128.9 Ų | 128.9 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | trans | 81.8 | 147.6 | 170.4 | -56.6 | 158.4 | 0 | 0 | 0 | 113.3 | ||||
| 48 | P | 48.2 | Very low | 45.8 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | cis | -124.9 | 178.7 | 6.8 | 22.1 | 2.5 | 0 | 0 | 0 | 117.3 | ||||
| 49 | N | 43.8 | Very low | 45.8 | Very low | 161 Ų | 161 | 133.2 Ų | 133.2 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | trans | -56.1 | 149.2 | 161.4 | -62.1 | -31.7 | 0 | 0 | 0 | 112.7 | ||||
| 50 | R | 37.6 | Very low | 46.5 | Very low | 219 Ų | 219 | 129.4 Ų | 129.4 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | trans | -133.5 | 119 | 162.3 | -167.1 | 177.7 | -164.4 | -113.9 | 4.2 | 112.4 | ||||
| 51 | T | 45.9 | Very low | 47.1 | Very low | 137 Ų | 137 | 128.3 Ų | 128.3 | 84% | 0.84 | 73% | 0.728 | S | S | * | * | trans | -88.4 | 122.1 | 175.9 | -27.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 52 | T | 42.1 | Very low | 47.7 | Very low | 101 Ų | 101 | 126.9 Ų | 126.9 | 62% | 0.62 | 72% | 0.719 | S | S | * | * | trans | -140.9 | 98.1 | 162.4 | 46.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 53 | S | 39.6 | Very low | 48.3 | Very low | 96 Ų | 96 | 128.7 Ų | 128.7 | 67% | 0.671 | 71% | 0.714 | S | S | * | * | 66.6 | 98.9 | 77.8 | -175.3 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 54 | K | 51.6 | Low | 48.7 | Very low | 181 Ų | 181 | 125.9 Ų | 125.9 | 79% | 0.787 | 70% | 0.704 | S | S | * | * | 53.2 | 130.7 | 129.1 | -61.6 | -174.6 | 179.2 | 178.8 | 0 | 118.1 | |||||
| 55 | N | 46.6 | Very low | 48.8 | Very low | 135 Ų | 135 | 125.3 Ų | 125.3 | 72% | 0.722 | 70% | 0.695 | S | S | * | * | cis | -165.2 | 176.8 | 12.1 | -95.9 | -17.2 | 0 | 0 | 0 | 111 | ||||
| 56 | T | 44.7 | Very low | 49 | Very low | 135 Ų | 135 | 123 Ų | 123 | 83% | 0.828 | 68% | 0.682 | S | S | * | * | trans | 91.3 | 132.1 | 148.2 | -42.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 57 | S | 46.4 | Very low | 49.1 | Very low | 85 Ų | 85 | 122.9 Ų | 122.9 | 59% | 0.594 | 67% | 0.674 | S | S | * | * | trans | 100.1 | 42.8 | 161.3 | -144.7 | 0 | 0 | 0 | 0 | 119.7 | Y59 | S57-Y59 PolarHBondContact O-N 3.28Š| ||
| 58 | T | 54.5 | Low | 50 | Low | 116 Ų | 116 | 120.1 Ų | 120.1 | 71% | 0.712 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 19.7 | -179.7 | -20.5 | 0 | 0 | 0 | 0 | 116.4 | ||
| 59 | Y | 54.7 | Low | 50.6 | Low | 213 Ų | 213 | 120.8 Ų | 120.8 | 84% | 0.835 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.9 | -7.9 | -174.7 | -71.2 | -75.7 | 0 | 0 | 0 | 115.5 | S57 | S57-Y59 PolarHBondContact O-N 3.28Š|
| 60 | A | 50.8 | Low | 52 | Low | 66 Ų | 66 | 117.9 Ų | 117.9 | 55% | 0.545 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.9 | -46 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | T62 K63 | A60-T62 VanDerWaalsContact C-N 3.33Å; A60-T62 PolarHBondContact O-N 2.84Å; A60-K63 PolarHBondContact O-N 3.01Å |
| 61 | A | 49.6 | Very low | 53.8 | Low | 51 Ų | 51 | 113.4 Ų | 113.4 | 42% | 0.421 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64.3 | -31.1 | -172 | 0 | 0 | 0 | 0 | 0 | 114.4 | K63 T64 D65 | A61-K63 PolarHBondContact O-N 3.45Å; A61-T64 PolarHBondContact O-N 2.86Å; A61-T64 VanDerWaalsContact O-N 3.11Å; A61-T64 PolarHBondContact O-OG1 2.66Å; A61-D65 PolarHBondContact O-N 3.1Å |
| 62 | T | 53 | Low | 55.4 | Low | 85 Ų | 85 | 111.4 Ų | 111.4 | 52% | 0.521 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -62.1 | -27.7 | -176.9 | 52.5 | 0 | 0 | 0 | 0 | 113.4 | A60 S66 | A60-T62 VanDerWaalsContact C-N 3.33Å; A60-T62 PolarHBondContact O-N 2.84Å; T62-S66 VanDerWaalsContact O-CB 3.25Å; T62-S66 WeakPolarHBondContact O-CB 3.29Å; T62-S66 PolarHBondContact O-N 3.22Å |
| 63 | K | 53.8 | Low | 57.5 | Low | 166 Ų | 166 | 109.9 Ų | 109.9 | 72% | 0.722 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -77.5 | -36 | 176 | -67.5 | -174.2 | 179.1 | -178.9 | 0 | 112.5 | A60 A61 L67 | A60-K63 PolarHBondContact O-N 3.01Å; A61-K63 PolarHBondContact O-N 3.45Å; K63-L67 PolarHBondContact O-N 2.88Å |
| 64 | T | 53.5 | Low | 59.7 | Low | 86 Ų | 86 | 111 Ų | 111 | 53% | 0.528 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -75.6 | -41.1 | 177.6 | 44 | 0 | 0 | 0 | 0 | 112.1 | A61 L67 L68 | A61-T64 PolarHBondContact O-N 2.86Å; A61-T64 VanDerWaalsContact O-N 3.11Å; A61-T64 PolarHBondContact O-OG1 2.66Å; T64-L67 PolarHBondContact O-N 2.93Å; T64-L68 PolarHBondContact O-N 2.99Å |
| 65 | D | 54.4 | Low | 61.4 | Low | 103 Ų | 103 | 111.9 Ų | 111.9 | 55% | 0.551 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.1 | -41 | 175.7 | -76.5 | -26.2 | 0 | 0 | 0 | 111.6 | A61 L67 L68 F69 | A61-D65 PolarHBondContact O-N 3.1Å; D65-L67 VanDerWaalsContact C-N 3.32Å; D65-L67 PolarHBondContact O-N 2.99Å; D65-L68 PolarHBondContact O-N 3.3Å; D65-F69 WeakPolarHBondContact O-CB 3.21Å; D65-F69 PolarHBondContact O-N 3.04Å |
| 66 | S | 58.2 | Low | 63.4 | Low | 65 Ų | 65 | 109.5 Ų | 109.5 | 46% | 0.455 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -59.1 | -41.7 | 174.9 | -177.5 | 0 | 0 | 0 | 0 | 112.3 | T62 L68 F69 N70 | T62-S66 VanDerWaalsContact O-CB 3.25Å; T62-S66 WeakPolarHBondContact O-CB 3.29Å; T62-S66 PolarHBondContact O-N 3.22Å; S66-L68 PolarHBondContact O-N 3.32Å; S66-F69 PolarHBondContact O-N 2.92Å; S66-N70 PolarHBondContact O-N 2.98Å; S66-N70 VanDerWaalsContact O-N 3.09Å; S66-N70 PolarHBondContact O-ND2 3.24Å |
| 67 | L | 60.4 | Low | 65.5 | Low | 104 Ų | 104 | 111.9 Ų | 111.9 | 55% | 0.545 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.9 | -30.6 | 178.9 | -135.9 | 170.7 | 0 | 0 | 0 | 112.5 | K63 T64 D65 K71 | K63-L67 PolarHBondContact O-N 2.88Å; T64-L67 PolarHBondContact O-N 2.93Å; D65-L67 VanDerWaalsContact C-N 3.32Å; D65-L67 PolarHBondContact O-N 2.99Å; L67-K71 HydrophobicContact CD2-CD 4.3Å; L67-K71 WeakPolarHBondContact O-CG 3.26Å; L67-K71 PolarHBondContact O-N 2.95Å |
| 68 | L | 61.4 | Low | 67.5 | Low | 99 Ų | 99 | 112 Ų | 112 | 52% | 0.518 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -73.5 | -42.2 | 171.4 | -79.8 | 166.6 | 0 | 0 | 0 | 112.2 | T64 D65 S66 N70 K71 I72 | T64-L68 PolarHBondContact O-N 2.99Å; D65-L68 PolarHBondContact O-N 3.3Å; S66-L68 PolarHBondContact O-N 3.32Å; L68-N70 PolarHBondContact O-N 3.37Å; L68-K71 PolarHBondContact O-N 3.44Å; L68-K71 VanDerWaalsContact O-N 3.16Å; L68-I72 VanDerWaalsContact O-CG1 3.31Å; L68-I72 WeakPolarHBondContact O-CG1 3.42Å; L68-I72 PolarHBondContact O-N 2.83Å |
| 69 | F | 60.4 | Low | 69 | Low | 133 Ų | 133 | 108.2 Ų | 108.2 | 58% | 0.583 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.4 | -48.3 | 179 | -164.7 | -88.7 | 0 | 0 | 0 | 111.1 | D65 S66 K71 I72 D73 | D65-F69 WeakPolarHBondContact O-CB 3.21Å; D65-F69 PolarHBondContact O-N 3.04Å; S66-F69 PolarHBondContact O-N 2.92Å; F69-K71 VanDerWaalsContact C-N 3.32Å; F69-K71 PolarHBondContact O-N 3.4Å; F69-I72 PolarHBondContact O-N 2.79Å; F69-I72 VanDerWaalsContact O-N 3.08Å; F69-D73 WeakPolarHBondContact CE1-OD2 3.38Å; F69-D73 PolarHBondContact O-N 2.67Å |
| 70 | N | 72.2 | Confident | 70.6 | Confident | 99 Ų | 99 | 105.2 Ų | 105.2 | 53% | 0.529 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -55.8 | -43.1 | 174.2 | -80 | -77.9 | 0 | 0 | 0 | 112.5 | S66 L68 D73 E74 | S66-N70 PolarHBondContact O-N 2.98Å; S66-N70 VanDerWaalsContact O-N 3.09Å; S66-N70 PolarHBondContact O-ND2 3.24Å; L68-N70 PolarHBondContact O-N 3.37Å; N70-D73 PolarHBondContact O-N 2.9Å; N70-E74 WeakPolarHBondContact O-CB 3.49Å; N70-E74 PolarHBondContact O-N 3.21Å |
| 71 | K | 76.2 | Confident | 72.4 | Confident | 126 Ų | 126 | 106.9 Ų | 106.9 | 55% | 0.548 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.3 | -31 | 177.2 | -74 | 175.6 | 176.9 | 180 | 0 | 113.3 | L67 L68 F69 R75 | L67-K71 HydrophobicContact CD2-CD 4.3Å; L67-K71 WeakPolarHBondContact O-CG 3.26Å; L67-K71 PolarHBondContact O-N 2.95Å; L68-K71 PolarHBondContact O-N 3.44Å; L68-K71 VanDerWaalsContact O-N 3.16Å; F69-K71 VanDerWaalsContact C-N 3.32Å; F69-K71 PolarHBondContact O-N 3.4Å; K71-R75 VanDerWaalsContact O-CB 3.25Å; K71-R75 WeakPolarHBondContact O-CB 3.48Å; K71-R75 PolarHBondContact O-N 3.01Å |
| 72 | I | 80.1 | Confident | 74.3 | Confident | 94 Ų | 94 | 111 Ų | 111 | 48% | 0.482 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -71.5 | -43.1 | 175.2 | -71.2 | 163.5 | 0 | 0 | 0 | 110.2 | L68 F69 R75 Q76 | L68-I72 VanDerWaalsContact O-CG1 3.31Å; L68-I72 WeakPolarHBondContact O-CG1 3.42Å; L68-I72 PolarHBondContact O-N 2.83Å; F69-I72 PolarHBondContact O-N 2.79Å; F69-I72 VanDerWaalsContact O-N 3.08Å; I72-R75 PolarHBondContact O-N 3.47Å; I72-Q76 WeakPolarHBondContact O-CG 3.21Å; I72-Q76 PolarHBondContact O-N 2.81Å |
| 73 | D | 85.4 | Confident | 75.7 | Confident | 70 Ų | 70 | 114.9 Ų | 114.9 | 37% | 0.374 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 174.9 | -81.9 | -15.3 | 0 | 0 | 0 | 112.2 | F69 N70 Q76 R77 | F69-D73 WeakPolarHBondContact CE1-OD2 3.38Å; F69-D73 PolarHBondContact O-N 2.67Å; N70-D73 PolarHBondContact O-N 2.9Å; D73-Q76 CarbonylContact O-C 3.56Å; D73-Q76 WeakPolarHBondContact O-CB 3.31Å; D73-Q76 PolarHBondContact O-N 2.83Å; D73-R77 WeakPolarHBondContact O-CB 3.42Å; D73-R77 PolarHBondContact O-N 3.22Å |
| 74 | E | 86.7 | Confident | 77.3 | Confident | 120 Ų | 120 | 113 Ų | 113 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.4 | -42 | 174.3 | -172.8 | 161.8 | -126.5 | 0 | 0 | 111.7 | N70 Q76 R77 L78 | N70-E74 WeakPolarHBondContact O-CB 3.49Å; N70-E74 PolarHBondContact O-N 3.21Å; E74-Q76 VanDerWaalsContact C-N 3.31Å; E74-Q76 PolarHBondContact O-N 3.41Å; E74-R77 WeakPolarHBondContact O-CB 3.27Å; E74-R77 PolarHBondContact O-N 2.88Å; E74-L78 HydrophobicContact CG-CD1 4.36Å; E74-L78 WeakPolarHBondContact O-CB 3.15Å; E74-L78 WeakPolarHBondContact O-CG 3.49Å; E74-L78 PolarHBondContact O-N 3.42Å |
| 75 | R | 86.1 | Confident | 79 | Confident | 198 Ų | 198 | 114.1 Ų | 114.1 | 75% | 0.747 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.9 | -33.8 | 172 | -175.5 | 174.8 | 178.5 | -89.6 | 4.2 | 112.6 | K71 I72 A79 | K71-R75 VanDerWaalsContact O-CB 3.25Å; K71-R75 WeakPolarHBondContact O-CB 3.48Å; K71-R75 PolarHBondContact O-N 3.01Å; I72-R75 PolarHBondContact O-N 3.47Å; R75-A79 WeakPolarHBondContact O-CB 3.48Å; R75-A79 PolarHBondContact O-N 3.16Å |
| 76 | Q | 88.2 | Confident | 80.4 | Confident | 85 Ų | 85 | 116.4 Ų | 116.4 | 40% | 0.397 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.9 | -42.2 | 170.9 | -78.6 | -164.5 | 52.8 | 0 | 0 | 111.8 | I72 D73 E74 A79 R80 | I72-Q76 WeakPolarHBondContact O-CG 3.21Å; I72-Q76 PolarHBondContact O-N 2.81Å; D73-Q76 CarbonylContact O-C 3.56Å; D73-Q76 WeakPolarHBondContact O-CB 3.31Å; D73-Q76 PolarHBondContact O-N 2.83Å; E74-Q76 VanDerWaalsContact C-N 3.31Å; E74-Q76 PolarHBondContact O-N 3.41Å; Q76-A79 CarbonylContact O-C 3.55Å; Q76-A79 WeakPolarHBondContact O-CA 3.42Å; Q76-A79 WeakPolarHBondContact O-CB 3.44Å; Q76-A79 PolarHBondContact O-N 3.46Å; Q76-R80 WeakPolarHBondContact O-CG 3.44Å; Q76-R80 PolarHBondContact O-N 3.29Å |
| 77 | R | 88.7 | Confident | 82 | Confident | 186 Ų | 186 | 119.2 Ų | 119.2 | 70% | 0.702 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -58.8 | -51.1 | 176.9 | -173.7 | 177.9 | 179.4 | 173.1 | 0.1 | 110.6 | D73 E74 A79 R80 E81 | D73-R77 WeakPolarHBondContact O-CB 3.42Å; D73-R77 PolarHBondContact O-N 3.22Å; E74-R77 WeakPolarHBondContact O-CB 3.27Å; E74-R77 PolarHBondContact O-N 2.88Å; R77-A79 PolarHBondContact O-N 2.88Å; R77-A79 VanDerWaalsContact O-N 3.14Å; R77-R80 PolarHBondContact O-N 2.84Å; R77-E81 WeakPolarHBondContact O-CB 3.48Å; R77-E81 PolarHBondContact O-N 3.45Å |
| 78 | L | 88.6 | Confident | 83.5 | Confident | 87 Ų | 87 | 121.5 Ų | 121.5 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.8 | -18.6 | 173.4 | -68.2 | 167.4 | 0 | 0 | 0 | 113.7 | E74 R82 | E74-L78 HydrophobicContact CG-CD1 4.36Å; E74-L78 WeakPolarHBondContact O-CB 3.15Å; E74-L78 WeakPolarHBondContact O-CG 3.49Å; E74-L78 PolarHBondContact O-N 3.42Å; L78-R82 WeakPolarHBondContact O-CG 3.49Å; L78-R82 PolarHBondContact O-NE 2.67Å; L78-R82 PolarHBondContact O-NH2 2.8Å |
| 79 | A | 86.5 | Confident | 84.6 | Confident | 37 Ų | 37 | 121.5 Ų | 121.5 | 31% | 0.306 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -88.9 | -27.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R75 Q76 R77 R83 | R75-A79 WeakPolarHBondContact O-CB 3.48Å; R75-A79 PolarHBondContact O-N 3.16Å; Q76-A79 CarbonylContact O-C 3.55Å; Q76-A79 WeakPolarHBondContact O-CA 3.42Å; Q76-A79 WeakPolarHBondContact O-CB 3.44Å; Q76-A79 PolarHBondContact O-N 3.46Å; R77-A79 PolarHBondContact O-N 2.88Å; R77-A79 VanDerWaalsContact O-N 3.14Å; A79-R83 WeakPolarHBondContact O-CG 3.47Å |
| 80 | R | 88.9 | Confident | 85.8 | Confident | 149 Ų | 149 | 119.6 Ų | 119.6 | 56% | 0.562 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -75.4 | -45.9 | 170.9 | -65.1 | 171.7 | -159.6 | -176 | 8.2 | 110.4 | Q76 R77 R82 R83 E84 | Q76-R80 WeakPolarHBondContact O-CG 3.44Å; Q76-R80 PolarHBondContact O-N 3.29Å; R77-R80 PolarHBondContact O-N 2.84Å; R80-R82 PolarHBondContact O-N 2.94Å; R80-R83 WeakPolarHBondContact O-CA 3.47Å; R80-R83 WeakPolarHBondContact O-CB 3.31Å; R80-R83 PolarHBondContact O-N 3.03Å; R80-E84 PolarHBondContact O-N 2.78Å |
| 81 | E | 87.1 | Confident | 86.7 | Confident | 102 Ų | 102 | 117.4 Ų | 117.4 | 48% | 0.477 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -56.7 | -43.4 | 176.6 | -176 | 170.2 | -150.5 | 0 | 0 | 112.3 | R77 R83 E84 E85 | R77-E81 WeakPolarHBondContact O-CB 3.48Å; R77-E81 PolarHBondContact O-N 3.45Å; E81-R83 PolarHBondContact O-N 3.4Å; E81-E84 PolarHBondContact O-N 3.31Å; E81-E85 WeakPolarHBondContact O-CB 3.43Å; E81-E85 PolarHBondContact O-N 3.17Å |
| 82 | R | 91.3 | Very high | 87.3 | Confident | 137 Ų | 137 | 114.3 Ų | 114.3 | 52% | 0.517 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -73.1 | -4.4 | 173.6 | -72.1 | 179 | -64.1 | 142.5 | 4.5 | 114.8 | L78 R80 R86 | L78-R82 WeakPolarHBondContact O-CG 3.49Å; L78-R82 PolarHBondContact O-NE 2.67Å; L78-R82 PolarHBondContact O-NH2 2.8Å; R80-R82 PolarHBondContact O-N 2.94Å; R82-R86 WeakPolarHBondContact O-CG 3.43Å; R82-R86 PolarHBondContact O-NH1 3.18Å |
| 83 | R | 82.2 | Confident | 87.8 | Confident | 167 Ų | 167 | 115.8 Ų | 115.8 | 63% | 0.63 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -91.5 | -50.9 | 164.5 | -68 | 173.5 | -178.2 | 173.7 | 0 | 109.2 | A79 R80 E81 E85 R86 E87 | A79-R83 WeakPolarHBondContact O-CG 3.47Å; R80-R83 WeakPolarHBondContact O-CA 3.47Å; R80-R83 WeakPolarHBondContact O-CB 3.31Å; R80-R83 PolarHBondContact O-N 3.03Å; E81-R83 PolarHBondContact O-N 3.4Å; R83-E85 VanDerWaalsContact C-N 3.27Å; R83-E85 PolarHBondContact O-N 3.27Å; R83-R86 CarbonylContact O-C 3.6Å; R83-R86 WeakPolarHBondContact O-CA 3.26Å; R83-R86 WeakPolarHBondContact O-CB 3.37Å; R83-R86 PolarHBondContact O-N 2.95Å; R83-E87 WeakPolarHBondContact O-CG 3.46Å; R83-E87 PolarHBondContact O-N 2.72Å |
| 84 | E | 87 | Confident | 87.7 | Confident | 127 Ų | 127 | 117.8 Ų | 117.8 | 59% | 0.593 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -53.9 | -39.5 | 175.8 | -170.1 | -178.9 | 162 | 0 | 0 | 112.4 | R80 E81 E87 K88 | R80-E84 PolarHBondContact O-N 2.78Å; E81-E84 PolarHBondContact O-N 3.31Å; E84-E87 CarbonylContact O-C 3.59Å; E84-E87 PolarHBondContact O-N 3.09Å; E84-K88 WeakPolarHBondContact O-CB 3.32Å; E84-K88 PolarHBondContact O-N 3.47Å |
| 85 | E | 87.9 | Confident | 87.8 | Confident | 108 Ų | 108 | 114.4 Ų | 114.4 | 51% | 0.505 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 175.5 | -173 | -175.1 | -158.4 | 0 | 0 | 112.3 | E81 R83 K88 Q89 | E81-E85 WeakPolarHBondContact O-CB 3.43Å; E81-E85 PolarHBondContact O-N 3.17Å; R83-E85 VanDerWaalsContact C-N 3.27Å; R83-E85 PolarHBondContact O-N 3.27Å; E85-K88 PolarHBondContact O-N 3.07Å; E85-Q89 WeakPolarHBondContact O-CG 3.39Å; E85-Q89 PolarHBondContact O-N 2.77Å |
| 86 | R | 85.7 | Confident | 87.9 | Confident | 152 Ų | 152 | 110.3 Ų | 110.3 | 57% | 0.574 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -70.1 | -39.9 | 175.1 | -69 | -179.4 | 175.4 | 106.9 | -11 | 111.2 | R82 R83 K88 Q89 N90 | R82-R86 WeakPolarHBondContact O-CG 3.43Å; R82-R86 PolarHBondContact O-NH1 3.18Å; R83-R86 CarbonylContact O-C 3.6Å; R83-R86 WeakPolarHBondContact O-CA 3.26Å; R83-R86 WeakPolarHBondContact O-CB 3.37Å; R83-R86 PolarHBondContact O-N 2.95Å; R86-K88 VanDerWaalsContact C-N 3.32Å; R86-Q89 PolarHBondContact O-N 2.8Å; R86-N90 WeakPolarHBondContact O-CB 3.43Å; R86-N90 PolarHBondContact O-N 3.22Å; R86-N90 PolarHBondContact O-ND2 3.07Å |
| 87 | E | 90.1 | Very high | 88 | Confident | 123 Ų | 123 | 114.4 Ų | 114.4 | 58% | 0.575 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.2 | -39.6 | 173.5 | -72.8 | 161.5 | -159.6 | 0 | 0 | 110.5 | R83 E84 N90 A91 | R83-E87 WeakPolarHBondContact O-CG 3.46Å; R83-E87 PolarHBondContact O-N 2.72Å; E84-E87 CarbonylContact O-C 3.59Å; E84-E87 PolarHBondContact O-N 3.09Å; E87-N90 CarbonylContact O-C 3.59Å; E87-N90 PolarHBondContact O-N 2.85Å; E87-A91 VanDerWaalsContact O-CB 3.27Å; E87-A91 WeakPolarHBondContact O-CB 3.32Å; E87-A91 PolarHBondContact O-N 2.81Å |
| 88 | K | 91.9 | Very high | 87.7 | Confident | 152 Ų | 152 | 110.3 Ų | 110.3 | 66% | 0.661 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.9 | -39.4 | 173.2 | -172.5 | 175.4 | -174.3 | 174.5 | 0 | 112.6 | E84 E85 R86 N90 A92 | E84-K88 WeakPolarHBondContact O-CB 3.32Å; E84-K88 PolarHBondContact O-N 3.47Å; E85-K88 PolarHBondContact O-N 3.07Å; R86-K88 VanDerWaalsContact C-N 3.32Å; K88-N90 VanDerWaalsContact C-N 3.32Å; K88-A92 VanDerWaalsContact O-CB 3.28Å; K88-A92 WeakPolarHBondContact O-CB 3.49Å; K88-A92 PolarHBondContact O-N 3.13Å |
| 89 | Q | 84.4 | Confident | 87.7 | Confident | 100 Ų | 100 | 108.3 Ų | 108.3 | 47% | 0.467 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.4 | -33.6 | 171.2 | -74.2 | -177.9 | 22 | 0 | 0 | 112.4 | E85 R86 K93 | E85-Q89 WeakPolarHBondContact O-CG 3.39Å; E85-Q89 PolarHBondContact O-N 2.77Å; R86-Q89 PolarHBondContact O-N 2.8Å; Q89-K93 WeakPolarHBondContact O-CD 3.33Å; Q89-K93 WeakPolarHBondContact O-CE 3.32Å; Q89-K93 VanDerWaalsContact O-CG 3.27Å; Q89-K93 WeakPolarHBondContact O-CG 3.4Å; Q89-K93 PolarHBondContact O-N 2.79Å |
| 90 | N | 85.8 | Confident | 87.4 | Confident | 92 Ų | 92 | 113.3 Ų | 113.3 | 49% | 0.492 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -74.5 | -44.4 | 175.6 | -70.1 | -16 | 0 | 0 | 0 | 111.2 | R86 E87 K88 A92 K93 E94 | R86-N90 WeakPolarHBondContact O-CB 3.43Å; R86-N90 PolarHBondContact O-N 3.22Å; R86-N90 PolarHBondContact O-ND2 3.07Å; E87-N90 CarbonylContact O-C 3.59Å; E87-N90 PolarHBondContact O-N 2.85Å; K88-N90 VanDerWaalsContact C-N 3.32Å; N90-A92 VanDerWaalsContact C-N 3.28Å; N90-A92 PolarHBondContact O-N 3.35Å; N90-K93 WeakPolarHBondContact O-CB 3.35Å; N90-K93 PolarHBondContact O-N 3.18Å; N90-K93 VanDerWaalsContact O-N 3.1Å; N90-K93 PolarHBondContact OD1-NZ 2.65Å; N90-E94 WeakPolarHBondContact O-CB 3.32Å; N90-E94 PolarHBondContact O-N 2.95Å |
| 91 | A | 91.2 | Very high | 87.2 | Confident | 53 Ų | 53 | 110.2 Ų | 110.2 | 44% | 0.438 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.2 | -33.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E87 E94 A95 | E87-A91 VanDerWaalsContact O-CB 3.27Å; E87-A91 WeakPolarHBondContact O-CB 3.32Å; E87-A91 PolarHBondContact O-N 2.81Å; A91-E94 PolarHBondContact O-N 2.86Å; A91-A95 WeakPolarHBondContact O-CB 3.44Å; A91-A95 PolarHBondContact O-N 2.76Å |
| 92 | A | 90.2 | Very high | 87 | Confident | 61 Ų | 61 | 110.5 Ų | 110.5 | 50% | 0.504 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.3 | -38.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K88 N90 Q96 | K88-A92 VanDerWaalsContact O-CB 3.28Å; K88-A92 WeakPolarHBondContact O-CB 3.49Å; K88-A92 PolarHBondContact O-N 3.13Å; N90-A92 VanDerWaalsContact C-N 3.28Å; N90-A92 PolarHBondContact O-N 3.35Å; A92-Q96 WeakPolarHBondContact O-CB 3.31Å; A92-Q96 PolarHBondContact O-N 3.27Å |
| 93 | K | 90.1 | Very high | 86.5 | Confident | 126 Ų | 126 | 111.5 Ų | 111.5 | 55% | 0.548 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.5 | -40.7 | 173.2 | -65.1 | 160 | -162.1 | 162.3 | 0 | 111 | Q89 N90 Q96 W97 | Q89-K93 WeakPolarHBondContact O-CD 3.33Å; Q89-K93 WeakPolarHBondContact O-CE 3.32Å; Q89-K93 VanDerWaalsContact O-CG 3.27Å; Q89-K93 WeakPolarHBondContact O-CG 3.4Å; Q89-K93 PolarHBondContact O-N 2.79Å; N90-K93 WeakPolarHBondContact O-CB 3.35Å; N90-K93 PolarHBondContact O-N 3.18Å; N90-K93 VanDerWaalsContact O-N 3.1Å; N90-K93 PolarHBondContact OD1-NZ 2.65Å; K93-Q96 PolarHBondContact O-N 3.1Å; K93-W97 PolarHBondContact O-N 2.83Å |
| 94 | E | 82.5 | Confident | 86.7 | Confident | 112 Ų | 112 | 106.5 Ų | 106.5 | 52% | 0.523 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.3 | -45.7 | 177 | -161.2 | -173.3 | 152.4 | 0 | 0 | 111.3 | N90 A91 Q96 W97 Q98 | N90-E94 WeakPolarHBondContact O-CB 3.32Å; N90-E94 PolarHBondContact O-N 2.95Å; A91-E94 PolarHBondContact O-N 2.86Å; E94-Q96 VanDerWaalsContact C-N 3.31Å; E94-Q96 PolarHBondContact O-N 2.7Å; E94-W97 CarbonylContact O-C 3.55Å; E94-W97 WeakPolarHBondContact O-CA 3.27Å; E94-W97 WeakPolarHBondContact O-CB 3.16Å; E94-W97 PolarHBondContact O-N 3.5Å; E94-Q98 HydrophobicContact CG-CG 4.41Å; E94-Q98 WeakPolarHBondContact O-CB 3.38Å; E94-Q98 VanDerWaalsContact O-CG 3.31Å; E94-Q98 WeakPolarHBondContact O-CG 3.28Å; E94-Q98 PolarHBondContact O-N 3.4Å; E94-Q98 PolarHBondContact OE1-NE2 3.25Å |
| 95 | A | 89.2 | Confident | 86.9 | Confident | 49 Ų | 49 | 107.7 Ų | 107.7 | 41% | 0.405 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.7 | -37.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | A91 W97 A99 | A91-A95 WeakPolarHBondContact O-CB 3.44Å; A91-A95 PolarHBondContact O-N 2.76Å; A95-W97 VanDerWaalsContact C-N 3.32Å; A95-W97 PolarHBondContact O-N 3.49Å; A95-A99 WeakPolarHBondContact O-CB 3.47Å; A95-A99 PolarHBondContact O-N 2.97Å |
| 96 | Q | 88.1 | Confident | 86.7 | Confident | 112 Ų | 112 | 107.3 Ų | 107.3 | 52% | 0.523 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.8 | -36.3 | 172.2 | -171.7 | -176.3 | 84.6 | 0 | 0 | 112 | A92 K93 E94 R100 | A92-Q96 WeakPolarHBondContact O-CB 3.31Å; A92-Q96 PolarHBondContact O-N 3.27Å; K93-Q96 PolarHBondContact O-N 3.1Å; E94-Q96 VanDerWaalsContact C-N 3.31Å; E94-Q96 PolarHBondContact O-N 2.7Å; Q96-R100 WeakPolarHBondContact O-CG 3.32Å; Q96-R100 PolarHBondContact O-N 2.65Å; Q96-R100 VanDerWaalsContact OE1-NH2 3.09Å |
| 97 | W | 90.9 | Very high | 86.4 | Confident | 171 Ų | 171 | 105.5 Ų | 105.5 | 65% | 0.648 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69 | -50 | 174.5 | -179.2 | -96.9 | 0 | 0 | 0 | 111.9 | K93 E94 A95 A99 R100 E101 | K93-W97 PolarHBondContact O-N 2.83Å; E94-W97 CarbonylContact O-C 3.55Å; E94-W97 WeakPolarHBondContact O-CA 3.27Å; E94-W97 WeakPolarHBondContact O-CB 3.16Å; E94-W97 PolarHBondContact O-N 3.5Å; A95-W97 VanDerWaalsContact C-N 3.32Å; A95-W97 PolarHBondContact O-N 3.49Å; W97-A99 VanDerWaalsContact C-N 3.33Å; W97-A99 PolarHBondContact O-N 2.87Å; W97-R100 WeakPolarHBondContact O-CA 3.34Å; W97-R100 WeakPolarHBondContact O-CB 3.3Å; W97-R100 PolarHBondContact O-N 2.84Å; W97-E101 PolarHBondContact O-N 2.87Å |
| 98 | Q | 81.6 | Confident | 86.1 | Confident | 100 Ų | 100 | 106.6 Ų | 106.6 | 47% | 0.467 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -56.5 | -44.7 | 175.9 | -68.5 | 174.7 | 8 | 0 | 0 | 110.9 | E94 R100 E101 E102 | E94-Q98 HydrophobicContact CG-CG 4.41Å; E94-Q98 WeakPolarHBondContact O-CB 3.38Å; E94-Q98 VanDerWaalsContact O-CG 3.31Å; E94-Q98 WeakPolarHBondContact O-CG 3.28Å; E94-Q98 PolarHBondContact O-N 3.4Å; E94-Q98 PolarHBondContact OE1-NE2 3.25Å; Q98-R100 VanDerWaalsContact C-N 3.26Å; Q98-R100 PolarHBondContact O-N 2.98Å; Q98-E101 PolarHBondContact O-N 2.79Å; Q98-E101 VanDerWaalsContact O-N 3.16Å; Q98-E102 WeakPolarHBondContact O-CB 3.25Å; Q98-E102 PolarHBondContact O-N 3.04Å |
| 99 | A | 88.8 | Confident | 85.8 | Confident | 44 Ų | 44 | 104.9 Ų | 104.9 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.3 | -18.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | A95 W97 R103 | A95-A99 WeakPolarHBondContact O-CB 3.47Å; A95-A99 PolarHBondContact O-N 2.97Å; W97-A99 VanDerWaalsContact C-N 3.33Å; W97-A99 PolarHBondContact O-N 2.87Å; A99-R103 WeakPolarHBondContact O-CB 3.44Å; A99-R103 PolarHBondContact O-N 2.78Å; A99-R103 PolarHBondContact O-NH1 2.84Å |
| 100 | R | 79.8 | Confident | 86.1 | Confident | 142 Ų | 142 | 105.7 Ų | 105.7 | 54% | 0.536 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -80.7 | -42.9 | 168.3 | -73.8 | 171.9 | -177.6 | 170.2 | 6.6 | 110.9 | Q96 W97 Q98 R103 A104 | Q96-R100 WeakPolarHBondContact O-CG 3.32Å; Q96-R100 PolarHBondContact O-N 2.65Å; Q96-R100 VanDerWaalsContact OE1-NH2 3.09Å; W97-R100 WeakPolarHBondContact O-CA 3.34Å; W97-R100 WeakPolarHBondContact O-CB 3.3Å; W97-R100 PolarHBondContact O-N 2.84Å; Q98-R100 VanDerWaalsContact C-N 3.26Å; Q98-R100 PolarHBondContact O-N 2.98Å; R100-R103 PolarHBondContact O-N 3.28Å; R100-A104 PolarHBondContact O-N 3.14Å; R100-A104 VanDerWaalsContact O-N 3.12Å |
| 101 | E | 86.5 | Confident | 86.4 | Confident | 84 Ų | 84 | 104.6 Ų | 104.6 | 39% | 0.393 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 176.5 | -160.2 | -165.9 | 164.1 | 0 | 0 | 111.5 | W97 Q98 R103 A104 R105 | W97-E101 PolarHBondContact O-N 2.87Å; Q98-E101 PolarHBondContact O-N 2.79Å; Q98-E101 VanDerWaalsContact O-N 3.16Å; E101-R103 PolarHBondContact O-N 3.49Å; E101-A104 WeakPolarHBondContact O-CB 3.47Å; E101-A104 PolarHBondContact O-N 3.06Å; E101-A104 VanDerWaalsContact O-N 3.1Å; E101-R105 WeakPolarHBondContact O-CG 3.42Å; E101-R105 PolarHBondContact O-N 3.43Å; E101-R105 IonicContact OE1-CZ 3.74Å; E101-R105 VanDerWaalsContact OE1-CZ 3.22Å; E101-R105 IonicContact OE1-NE 2.93Å; E101-R105 PolarHBondContact OE1-NE 3.32Å; E101-R105 IonicContact OE1-NH2 3.01Å; E101-R105 PolarHBondContact OE1-NH2 2.97Å; E101-R105 IonicContact OE2-NH2 2.66Å; E101-R105 PolarHBondContact OE2-NH2 3.17Å |
| 102 | E | 81.6 | Confident | 86.3 | Confident | 108 Ų | 108 | 105.2 Ų | 105.2 | 51% | 0.505 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.6 | -46.6 | 177.4 | -162.4 | -160.4 | 152.7 | 0 | 0 | 111.1 | Q98 A104 R105 Q106 | Q98-E102 WeakPolarHBondContact O-CB 3.25Å; Q98-E102 PolarHBondContact O-N 3.04Å; E102-A104 PolarHBondContact O-N 2.87Å; E102-R105 CarbonylContact O-C 3.54Å; E102-R105 WeakPolarHBondContact O-CB 3.48Å; E102-R105 PolarHBondContact O-N 2.81Å; E102-Q106 HydrophobicContact CG-CG 4.4Å; E102-Q106 WeakPolarHBondContact O-CB 3.34Å; E102-Q106 VanDerWaalsContact O-CG 3.3Å; E102-Q106 WeakPolarHBondContact O-CG 3.45Å; E102-Q106 PolarHBondContact O-N 2.98Å; E102-Q106 PolarHBondContact OE1-NE2 3.36Å |
| 103 | R | 80.6 | Confident | 86.2 | Confident | 159 Ų | 159 | 107.3 Ų | 107.3 | 60% | 0.6 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.4 | -35.4 | 174.5 | -175.7 | -177.7 | -73.2 | 92.7 | -2.7 | 112.3 | A99 R100 E101 H107 | A99-R103 WeakPolarHBondContact O-CB 3.44Å; A99-R103 PolarHBondContact O-N 2.78Å; A99-R103 PolarHBondContact O-NH1 2.84Å; R100-R103 PolarHBondContact O-N 3.28Å; E101-R103 PolarHBondContact O-N 3.49Å; R103-H107 WeakPolarHBondContact O-CB 3.38Å; R103-H107 PolarHBondContact O-N 3.47Å; R103-H107 VanDerWaalsContact O-N 3.11Å |
| 104 | A | 87 | Confident | 86.2 | Confident | 61 Ų | 61 | 105.4 Ų | 105.4 | 50% | 0.504 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71.1 | -40.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R100 E101 E102 H107 Y108 | R100-A104 PolarHBondContact O-N 3.14Å; R100-A104 VanDerWaalsContact O-N 3.12Å; E101-A104 WeakPolarHBondContact O-CB 3.47Å; E101-A104 PolarHBondContact O-N 3.06Å; E101-A104 VanDerWaalsContact O-N 3.1Å; E102-A104 PolarHBondContact O-N 2.87Å; A104-H107 PolarHBondContact O-N 3.15Å; A104-Y108 PolarHBondContact O-N 3.41Å; A104-Y108 VanDerWaalsContact O-N 3.09Å |
| 105 | R | 91.8 | Very high | 86.1 | Confident | 153 Ų | 153 | 106.4 Ų | 106.4 | 58% | 0.577 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.7 | -51 | 173.9 | -68.5 | 173.2 | -177.9 | -169.3 | 5.7 | 111.2 | E101 E102 H107 Y108 E109 | E101-R105 WeakPolarHBondContact O-CG 3.42Å; E101-R105 PolarHBondContact O-N 3.43Å; E101-R105 IonicContact OE1-CZ 3.74Å; E101-R105 VanDerWaalsContact OE1-CZ 3.22Å; E101-R105 IonicContact OE1-NE 2.93Å; E101-R105 PolarHBondContact OE1-NE 3.32Å; E101-R105 IonicContact OE1-NH2 3.01Å; E101-R105 PolarHBondContact OE1-NH2 2.97Å; E101-R105 IonicContact OE2-NH2 2.66Å; E101-R105 PolarHBondContact OE2-NH2 3.17Å; E102-R105 CarbonylContact O-C 3.54Å; E102-R105 WeakPolarHBondContact O-CB 3.48Å; E102-R105 PolarHBondContact O-N 2.81Å; R105-H107 VanDerWaalsContact C-N 3.3Å; R105-H107 PolarHBondContact O-N 2.92Å; R105-Y108 PolarHBondContact O-N 2.87Å; R105-Y108 VanDerWaalsContact O-N 3.11Å; R105-E109 WeakPolarHBondContact O-CB 3.13Å; R105-E109 PolarHBondContact O-N 3.07Å |
| 106 | Q | 82.6 | Confident | 85.7 | Confident | 99 Ų | 99 | 110.5 Ų | 110.5 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -54.4 | -42.5 | 174.9 | -71.2 | 173.9 | 4.6 | 0 | 0 | 112 | E102 E109 K110 | E102-Q106 HydrophobicContact CG-CG 4.4Å; E102-Q106 WeakPolarHBondContact O-CB 3.34Å; E102-Q106 VanDerWaalsContact O-CG 3.3Å; E102-Q106 WeakPolarHBondContact O-CG 3.45Å; E102-Q106 PolarHBondContact O-N 2.98Å; E102-Q106 PolarHBondContact OE1-NE2 3.36Å; Q106-E109 PolarHBondContact O-N 3.3Å; Q106-K110 VanDerWaalsContact O-CB 3.27Å; Q106-K110 WeakPolarHBondContact O-CB 3.42Å; Q106-K110 PolarHBondContact O-N 3.49Å |
| 107 | H | 80.6 | Confident | 85.8 | Confident | 114 Ų | 114 | 112.4 Ų | 112.4 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.9 | -41.2 | 176.9 | 175.7 | -114 | 0 | 0 | 0 | 112.6 | R103 A104 R105 Q111 | R103-H107 WeakPolarHBondContact O-CB 3.38Å; R103-H107 PolarHBondContact O-N 3.47Å; R103-H107 VanDerWaalsContact O-N 3.11Å; A104-H107 PolarHBondContact O-N 3.15Å; R105-H107 VanDerWaalsContact C-N 3.3Å; R105-H107 PolarHBondContact O-N 2.92Å; H107-Q111 PolarHBondContact CE1-NE2 2.94Å; H107-Q111 VanDerWaalsContact CE1-NE2 3.27Å; H107-Q111 PolarHBondContact NE2-NE2 2.79Å; H107-Q111 WeakPolarHBondContact O-CG 3.25Å; H107-Q111 PolarHBondContact O-N 2.79Å; H107-Q111 VanDerWaalsContact O-N 3.12Å |
| 108 | Y | 82.4 | Confident | 85.8 | Confident | 147 Ų | 147 | 110.1 Ų | 110.1 | 58% | 0.576 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.6 | -41.4 | 175 | 175.8 | -102.6 | 0 | 0 | 0 | 112.3 | A104 R105 Q111 L112 | A104-Y108 PolarHBondContact O-N 3.41Å; A104-Y108 VanDerWaalsContact O-N 3.09Å; R105-Y108 PolarHBondContact O-N 2.87Å; R105-Y108 VanDerWaalsContact O-N 3.11Å; Y108-Q111 PolarHBondContact O-N 3.26Å; Y108-L112 HydrophobicContact CD1-CD1 4.21Å; Y108-L112 HydrophobicContact CE1-CD1 3.57Å; Y108-L112 HydrophobicContact CE1-CG 4.32Å; Y108-L112 PolarHBondContact O-N 3.14Å; Y108-L112 VanDerWaalsContact O-N 3.14Å |
| 109 | E | 86.4 | Confident | 85.9 | Confident | 115 Ų | 115 | 110.5 Ų | 110.5 | 54% | 0.537 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.4 | -50.9 | 175.8 | -177.9 | 149.7 | -123.8 | 0 | 0 | 111.3 | R105 Q106 Q111 L112 E113 | R105-E109 WeakPolarHBondContact O-CB 3.13Å; R105-E109 PolarHBondContact O-N 3.07Å; Q106-E109 PolarHBondContact O-N 3.3Å; E109-Q111 VanDerWaalsContact C-N 3.25Å; E109-Q111 PolarHBondContact O-N 3.49Å; E109-L112 CarbonylContact O-C 3.6Å; E109-L112 WeakPolarHBondContact O-CA 3.47Å; E109-L112 WeakPolarHBondContact O-CB 3.36Å; E109-L112 PolarHBondContact O-N 3.31Å; E109-E113 WeakPolarHBondContact O-CG 3.44Å; E109-E113 PolarHBondContact O-N 2.81Å |
| 110 | K | 89.8 | Confident | 85.7 | Confident | 117 Ų | 117 | 113.8 Ų | 113.8 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -54.5 | -39.4 | 173.7 | -175.1 | 177.7 | 179.2 | -178.7 | 0 | 112.4 | Q106 L112 E113 E114 | Q106-K110 VanDerWaalsContact O-CB 3.27Å; Q106-K110 WeakPolarHBondContact O-CB 3.42Å; Q106-K110 PolarHBondContact O-N 3.49Å; K110-L112 VanDerWaalsContact C-N 3.31Å; K110-L112 PolarHBondContact O-N 2.93Å; K110-E113 PolarHBondContact O-N 3.24Å; K110-E114 VanDerWaalsContact CE-OE1 3.28Å; K110-E114 WeakPolarHBondContact CE-OE1 3.45Å; K110-E114 WeakPolarHBondContact O-CB 3Å; K110-E114 WeakPolarHBondContact O-CG 3.41Å; K110-E114 PolarHBondContact O-N 3.26Å |
| 111 | Q | 92 | Very high | 86.2 | Confident | 69 Ų | 69 | 112.3 Ų | 112.3 | 32% | 0.322 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.3 | -26.8 | 173.8 | -75.5 | -162.4 | 20 | 0 | 0 | 114 | H107 Y108 E109 R115 | H107-Q111 PolarHBondContact CE1-NE2 2.94Å; H107-Q111 VanDerWaalsContact CE1-NE2 3.27Å; H107-Q111 PolarHBondContact NE2-NE2 2.79Å; H107-Q111 WeakPolarHBondContact O-CG 3.25Å; H107-Q111 PolarHBondContact O-N 2.79Å; H107-Q111 VanDerWaalsContact O-N 3.12Å; Y108-Q111 PolarHBondContact O-N 3.26Å; E109-Q111 VanDerWaalsContact C-N 3.25Å; E109-Q111 PolarHBondContact O-N 3.49Å; Q111-R115 VanDerWaalsContact O-CD 3.24Å; Q111-R115 WeakPolarHBondContact O-CD 3.23Å; Q111-R115 WeakPolarHBondContact O-CG 3.48Å; Q111-R115 PolarHBondContact O-NH1 3.28Å |
| 112 | L | 89.6 | Confident | 86.2 | Confident | 67 Ų | 67 | 114.5 Ų | 114.5 | 35% | 0.351 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -77.6 | -39.6 | 170.9 | -67.4 | 176.7 | 0 | 0 | 0 | 111.1 | Y108 E109 K110 R115 K116 | Y108-L112 HydrophobicContact CD1-CD1 4.21Å; Y108-L112 HydrophobicContact CE1-CD1 3.57Å; Y108-L112 HydrophobicContact CE1-CG 4.32Å; Y108-L112 PolarHBondContact O-N 3.14Å; Y108-L112 VanDerWaalsContact O-N 3.14Å; E109-L112 CarbonylContact O-C 3.6Å; E109-L112 WeakPolarHBondContact O-CA 3.47Å; E109-L112 WeakPolarHBondContact O-CB 3.36Å; E109-L112 PolarHBondContact O-N 3.31Å; K110-L112 VanDerWaalsContact C-N 3.31Å; K110-L112 PolarHBondContact O-N 2.93Å; L112-R115 PolarHBondContact O-N 3.42Å; L112-K116 WeakPolarHBondContact O-CG 3.46Å; L112-K116 PolarHBondContact O-N 2.86Å |
| 113 | E | 88.1 | Confident | 86.8 | Confident | 104 Ų | 104 | 118.2 Ų | 118.2 | 49% | 0.486 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.8 | -46.8 | 175.3 | -67.1 | -175.7 | 145.3 | 0 | 0 | 112.5 | E109 K110 R115 K116 K117 | E109-E113 WeakPolarHBondContact O-CG 3.44Å; E109-E113 PolarHBondContact O-N 2.81Å; K110-E113 PolarHBondContact O-N 3.24Å; E113-R115 PolarHBondContact O-N 3.34Å; E113-K116 CarbonylContact O-C 3.58Å; E113-K116 WeakPolarHBondContact O-CB 3.37Å; E113-K116 PolarHBondContact O-N 2.77Å; E113-K116 VanDerWaalsContact O-N 3.09Å; E113-K117 VanDerWaalsContact O-CB 3.29Å; E113-K117 WeakPolarHBondContact O-CB 3.34Å; E113-K117 PolarHBondContact O-N 3.33Å |
| 114 | E | 89.6 | Confident | 87.1 | Confident | 87 Ų | 87 | 114 Ų | 114 | 41% | 0.407 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.4 | -32.3 | 175.2 | -75.3 | -176.5 | -157.8 | 0 | 0 | 112.4 | K110 K118 | K110-E114 VanDerWaalsContact CE-OE1 3.28Å; K110-E114 WeakPolarHBondContact CE-OE1 3.45Å; K110-E114 WeakPolarHBondContact O-CB 3Å; K110-E114 WeakPolarHBondContact O-CG 3.41Å; K110-E114 PolarHBondContact O-N 3.26Å; E114-K118 WeakPolarHBondContact O-CB 3.22Å; E114-K118 WeakPolarHBondContact O-CD 3.38Å; E114-K118 VanDerWaalsContact O-CG 3.25Å; E114-K118 WeakPolarHBondContact O-CG 3.31Å; E114-K118 PolarHBondContact O-N 2.77Å; E114-K118 VanDerWaalsContact O-N 3.17Å |
| 115 | R | 80.6 | Confident | 87.4 | Confident | 132 Ų | 132 | 116.9 Ų | 116.9 | 50% | 0.498 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -72.8 | -40.3 | 173.6 | -70.3 | 170 | -170 | 124.6 | 5.2 | 111.9 | Q111 L112 E113 L119 | Q111-R115 VanDerWaalsContact O-CD 3.24Å; Q111-R115 WeakPolarHBondContact O-CD 3.23Å; Q111-R115 WeakPolarHBondContact O-CG 3.48Å; Q111-R115 PolarHBondContact O-NH1 3.28Å; L112-R115 PolarHBondContact O-N 3.42Å; E113-R115 PolarHBondContact O-N 3.34Å; R115-L119 PolarHBondContact O-N 3.25Å |
| 116 | K | 81.7 | Confident | 87.2 | Confident | 136 Ų | 136 | 114.2 Ų | 114.2 | 59% | 0.591 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62 | -52.9 | 172.5 | -69.7 | 170.1 | -174.4 | 171.9 | 0 | 110.6 | L112 E113 K118 L119 E120 | L112-K116 WeakPolarHBondContact O-CG 3.46Å; L112-K116 PolarHBondContact O-N 2.86Å; E113-K116 CarbonylContact O-C 3.58Å; E113-K116 WeakPolarHBondContact O-CB 3.37Å; E113-K116 PolarHBondContact O-N 2.77Å; E113-K116 VanDerWaalsContact O-N 3.09Å; K116-K118 VanDerWaalsContact C-N 3.29Å; K116-K118 PolarHBondContact O-N 2.88Å; K116-L119 WeakPolarHBondContact O-CA 3.23Å; K116-L119 WeakPolarHBondContact O-CB 3.27Å; K116-L119 PolarHBondContact O-N 2.89Å; K116-E120 PolarHBondContact O-N 2.8Å |
| 117 | K | 89.8 | Confident | 87.5 | Confident | 152 Ų | 152 | 115 Ų | 115 | 66% | 0.661 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -56.7 | -38.7 | -178.7 | -172.3 | 170.3 | -176.7 | 170.9 | 0 | 112.3 | E113 L119 E120 E121 | E113-K117 VanDerWaalsContact O-CB 3.29Å; E113-K117 WeakPolarHBondContact O-CB 3.34Å; E113-K117 PolarHBondContact O-N 3.33Å; K117-L119 VanDerWaalsContact C-N 3.34Å; K117-L119 PolarHBondContact O-N 3.47Å; K117-E120 PolarHBondContact O-N 2.81Å; K117-E121 VanDerWaalsContact O-CB 3.29Å; K117-E121 WeakPolarHBondContact O-CB 3.16Å; K117-E121 PolarHBondContact O-N 2.8Å |
| 118 | K | 90.8 | Very high | 87.8 | Confident | 122 Ų | 122 | 116.7 Ų | 116.7 | 53% | 0.53 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.1 | -29.2 | 174.5 | -76.4 | 166.4 | -177.7 | 160.9 | 0 | 113.8 | E114 K116 Q122 | E114-K118 WeakPolarHBondContact O-CB 3.22Å; E114-K118 WeakPolarHBondContact O-CD 3.38Å; E114-K118 VanDerWaalsContact O-CG 3.25Å; E114-K118 WeakPolarHBondContact O-CG 3.31Å; E114-K118 PolarHBondContact O-N 2.77Å; E114-K118 VanDerWaalsContact O-N 3.17Å; K116-K118 VanDerWaalsContact C-N 3.29Å; K116-K118 PolarHBondContact O-N 2.88Å; K118-Q122 VanDerWaalsContact O-CG 3.31Å; K118-Q122 WeakPolarHBondContact O-CG 3.41Å; K118-Q122 PolarHBondContact O-N 2.87Å |
| 119 | L | 84.1 | Confident | 88.3 | Confident | 109 Ų | 109 | 118 Ų | 118 | 57% | 0.571 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -81 | -34.9 | 173.2 | -66.7 | 171.1 | 0 | 0 | 0 | 111.9 | R115 K116 K117 Q122 R123 | R115-L119 PolarHBondContact O-N 3.25Å; K116-L119 WeakPolarHBondContact O-CA 3.23Å; K116-L119 WeakPolarHBondContact O-CB 3.27Å; K116-L119 PolarHBondContact O-N 2.89Å; K117-L119 VanDerWaalsContact C-N 3.34Å; K117-L119 PolarHBondContact O-N 3.47Å; L119-Q122 WeakPolarHBondContact O-CB 3.34Å; L119-Q122 PolarHBondContact O-N 3.46Å; L119-R123 WeakPolarHBondContact O-CG 3.4Å; L119-R123 PolarHBondContact O-N 2.72Å |
| 120 | E | 83.9 | Confident | 88.4 | Confident | 112 Ų | 112 | 120.2 Ų | 120.2 | 52% | 0.523 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69 | -42.9 | 175.5 | -174.5 | 162.6 | -111.8 | 0 | 0 | 112 | K116 K117 Q122 R123 I124 | K116-E120 PolarHBondContact O-N 2.8Å; K117-E120 PolarHBondContact O-N 2.81Å; E120-Q122 VanDerWaalsContact C-N 3.27Å; E120-Q122 PolarHBondContact O-N 3.19Å; E120-R123 WeakPolarHBondContact O-CB 3.43Å; E120-R123 PolarHBondContact O-N 2.92Å; E120-I124 HydrophobicContact CG-CD1 3.96Å; E120-I124 WeakPolarHBondContact O-CG1 3.3Å; E120-I124 PolarHBondContact O-N 3.39Å |
| 121 | E | 90.7 | Very high | 88.4 | Confident | 111 Ų | 111 | 118.6 Ų | 118.6 | 52% | 0.519 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.1 | -39.8 | 171.2 | -168.5 | -163.2 | 149 | 0 | 0 | 111.2 | K117 I124 K125 | K117-E121 VanDerWaalsContact O-CB 3.29Å; K117-E121 WeakPolarHBondContact O-CB 3.16Å; K117-E121 PolarHBondContact O-N 2.8Å; E121-I124 PolarHBondContact O-N 3.32Å; E121-K125 WeakPolarHBondContact O-CB 3.24Å; E121-K125 PolarHBondContact O-N 3.43Å |
| 122 | Q | 87.6 | Confident | 88.4 | Confident | 130 Ų | 130 | 117.6 Ų | 117.6 | 61% | 0.607 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.5 | -41.9 | 173.8 | -75.1 | 175.3 | 17 | 0 | 0 | 112.2 | K118 L119 E120 K125 E126 | K118-Q122 VanDerWaalsContact O-CG 3.31Å; K118-Q122 WeakPolarHBondContact O-CG 3.41Å; K118-Q122 PolarHBondContact O-N 2.87Å; L119-Q122 WeakPolarHBondContact O-CB 3.34Å; L119-Q122 PolarHBondContact O-N 3.46Å; E120-Q122 VanDerWaalsContact C-N 3.27Å; E120-Q122 PolarHBondContact O-N 3.19Å; Q122-K125 PolarHBondContact O-N 2.88Å; Q122-E126 PolarHBondContact O-N 3.33Å |
| 123 | R | 94.2 | Very high | 88.7 | Confident | 187 Ų | 187 | 119.4 Ų | 119.4 | 71% | 0.706 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.1 | -51.4 | 174.2 | -72.5 | 174.1 | 173.2 | -172.6 | -3.7 | 111.6 | L119 E120 K125 E126 E127 | L119-R123 WeakPolarHBondContact O-CG 3.4Å; L119-R123 PolarHBondContact O-N 2.72Å; E120-R123 WeakPolarHBondContact O-CB 3.43Å; E120-R123 PolarHBondContact O-N 2.92Å; R123-K125 PolarHBondContact O-N 3.28Å; R123-E126 CarbonylContact O-C 3.58Å; R123-E126 PolarHBondContact O-N 3.3Å; R123-E127 WeakPolarHBondContact O-CB 3.32Å; R123-E127 PolarHBondContact O-N 2.81Å |
| 124 | I | 85.7 | Confident | 88.9 | Confident | 69 Ų | 69 | 120.7 Ų | 120.7 | 35% | 0.354 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -59.5 | -35.2 | 177.9 | -66.9 | 166.1 | 0 | 0 | 0 | 110.9 | E120 E121 K128 | E120-I124 HydrophobicContact CG-CD1 3.96Å; E120-I124 WeakPolarHBondContact O-CG1 3.3Å; E120-I124 PolarHBondContact O-N 3.39Å; E121-I124 PolarHBondContact O-N 3.32Å; I124-K128 HydrophobicContact CG2-CD 4.08Å; I124-K128 HydrophobicContact CG2-CG 4.46Å; I124-K128 WeakPolarHBondContact O-CB 3.49Å; I124-K128 VanDerWaalsContact O-CG 3.26Å; I124-K128 WeakPolarHBondContact O-CG 3.29Å; I124-K128 PolarHBondContact O-N 2.91Å |
| 125 | K | 93.3 | Very high | 89 | Confident | 123 Ų | 123 | 121.3 Ų | 121.3 | 54% | 0.535 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -74.7 | -28.1 | 177.2 | -165.5 | 168.4 | -165.2 | 161.3 | 0 | 113.2 | E121 Q122 R123 R129 | E121-K125 WeakPolarHBondContact O-CB 3.24Å; E121-K125 PolarHBondContact O-N 3.43Å; Q122-K125 PolarHBondContact O-N 2.88Å; R123-K125 PolarHBondContact O-N 3.28Å; K125-R129 WeakPolarHBondContact O-CD 3.35Å; K125-R129 WeakPolarHBondContact O-CG 3.49Å |
| 126 | E | 87.3 | Confident | 89.6 | Confident | 97 Ų | 97 | 121.4 Ų | 121.4 | 45% | 0.453 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -75.8 | -43.4 | 168.4 | -161.3 | -164.9 | 143.1 | 0 | 0 | 111.2 | Q122 R123 R129 R130 | Q122-E126 PolarHBondContact O-N 3.33Å; R123-E126 CarbonylContact O-C 3.58Å; R123-E126 PolarHBondContact O-N 3.3Å; E126-R129 CarbonylContact O-C 3.56Å; E126-R129 WeakPolarHBondContact O-CA 3.4Å; E126-R129 WeakPolarHBondContact O-CB 3.31Å; E126-R129 PolarHBondContact O-N 3.41Å; E126-R130 WeakPolarHBondContact O-CG 3.37Å; E126-R130 PolarHBondContact O-N 3.22Å; E126-R130 IonicContact OE1-CZ 2.86Å; E126-R130 IonicContact OE1-NE 3.24Å; E126-R130 PolarHBondContact OE1-NE 2.85Å; E126-R130 IonicContact OE1-NH2 2.95Å; E126-R130 PolarHBondContact OE1-NH2 3.13Å |
| 127 | E | 89.2 | Confident | 89.9 | Confident | 115 Ų | 115 | 122.8 Ų | 122.8 | 54% | 0.537 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -59.4 | -48.3 | 177.1 | -177.2 | 169.9 | -120 | 0 | 0 | 111.7 | R123 R129 R130 V131 | R123-E127 WeakPolarHBondContact O-CB 3.32Å; R123-E127 PolarHBondContact O-N 2.81Å; E127-R129 PolarHBondContact O-N 2.87Å; E127-R129 VanDerWaalsContact O-N 3.17Å; E127-R130 CarbonylContact O-C 3.53Å; E127-R130 WeakPolarHBondContact O-CA 3.26Å; E127-R130 WeakPolarHBondContact O-CB 3.29Å; E127-R130 PolarHBondContact O-N 2.99Å; E127-V131 HydrophobicContact CG-CG2 4.35Å; E127-V131 WeakPolarHBondContact O-CG2 3.4Å; E127-V131 PolarHBondContact O-N 3.25Å |
| 128 | K | 88.2 | Confident | 89.9 | Confident | 149 Ų | 149 | 122.9 Ų | 122.9 | 65% | 0.648 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -56.9 | -31.3 | 172.7 | -75.5 | 175.2 | 178.7 | -176.6 | 0 | 113 | I124 A132 | I124-K128 HydrophobicContact CG2-CD 4.08Å; I124-K128 HydrophobicContact CG2-CG 4.46Å; I124-K128 WeakPolarHBondContact O-CB 3.49Å; I124-K128 VanDerWaalsContact O-CG 3.26Å; I124-K128 WeakPolarHBondContact O-CG 3.29Å; I124-K128 PolarHBondContact O-N 2.91Å; K128-A132 VanDerWaalsContact O-CB 3.31Å; K128-A132 WeakPolarHBondContact O-CB 3.37Å; K128-A132 PolarHBondContact O-N 2.96Å; K128-A132 VanDerWaalsContact O-N 3.1Å |
| 129 | R | 91 | Very high | 90 | Very high | 176 Ų | 176 | 119.7 Ų | 119.7 | 66% | 0.664 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -74.3 | -41 | 172.6 | -70.2 | 166.9 | 168 | -176.6 | -5.6 | 112.1 | K125 E126 E127 V133 | K125-R129 WeakPolarHBondContact O-CD 3.35Å; K125-R129 WeakPolarHBondContact O-CG 3.49Å; E126-R129 CarbonylContact O-C 3.56Å; E126-R129 WeakPolarHBondContact O-CA 3.4Å; E126-R129 WeakPolarHBondContact O-CB 3.31Å; E126-R129 PolarHBondContact O-N 3.41Å; E127-R129 PolarHBondContact O-N 2.87Å; E127-R129 VanDerWaalsContact O-N 3.17Å; R129-V133 VanDerWaalsContact O-CG2 3.32Å; R129-V133 WeakPolarHBondContact O-CG2 3.33Å; R129-V133 PolarHBondContact O-N 3.17Å; R129-V133 VanDerWaalsContact O-N 3.09Å |
| 130 | R | 88.8 | Confident | 90.5 | Very high | 161 Ų | 161 | 120.6 Ų | 120.6 | 61% | 0.608 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.7 | -49.5 | 175.1 | -68.7 | 173 | 176.5 | -141.5 | 4.9 | 110.7 | E126 E127 A132 V133 E134 | E126-R130 WeakPolarHBondContact O-CG 3.37Å; E126-R130 PolarHBondContact O-N 3.22Å; E126-R130 IonicContact OE1-CZ 2.86Å; E126-R130 IonicContact OE1-NE 3.24Å; E126-R130 PolarHBondContact OE1-NE 2.85Å; E126-R130 IonicContact OE1-NH2 2.95Å; E126-R130 PolarHBondContact OE1-NH2 3.13Å; E127-R130 CarbonylContact O-C 3.53Å; E127-R130 WeakPolarHBondContact O-CA 3.26Å; E127-R130 WeakPolarHBondContact O-CB 3.29Å; E127-R130 PolarHBondContact O-N 2.99Å; R130-A132 PolarHBondContact O-N 2.86Å; R130-V133 PolarHBondContact O-N 2.68Å; R130-E134 WeakPolarHBondContact O-CB 3.49Å; R130-E134 PolarHBondContact O-N 3.38Å |
| 131 | V | 90.4 | Very high | 90.7 | Very high | 83 Ų | 83 | 120.9 Ų | 120.9 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.5 | -46.2 | 177 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | E127 V133 E134 E135 | E127-V131 HydrophobicContact CG-CG2 4.35Å; E127-V131 WeakPolarHBondContact O-CG2 3.4Å; E127-V131 PolarHBondContact O-N 3.25Å; V131-V133 VanDerWaalsContact C-N 3.31Å; V131-V133 PolarHBondContact O-N 3.27Å; V131-E134 PolarHBondContact O-N 2.86Å; V131-E135 VanDerWaalsContact O-CB 3.32Å; V131-E135 WeakPolarHBondContact O-CB 3.31Å; V131-E135 PolarHBondContact O-N 2.84Å |
| 132 | A | 92.6 | Very high | 90.7 | Very high | 47 Ų | 47 | 119.6 Ų | 119.6 | 39% | 0.388 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.6 | -33.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | K128 R130 K136 | K128-A132 VanDerWaalsContact O-CB 3.31Å; K128-A132 WeakPolarHBondContact O-CB 3.37Å; K128-A132 PolarHBondContact O-N 2.96Å; K128-A132 VanDerWaalsContact O-N 3.1Å; R130-A132 PolarHBondContact O-N 2.86Å; A132-K136 WeakPolarHBondContact O-CB 3.4Å; A132-K136 WeakPolarHBondContact O-CG 3.13Å; A132-K136 PolarHBondContact O-N 3.49Å; A132-K136 VanDerWaalsContact O-N 3.07Å |
| 133 | V | 95.5 | Very high | 91 | Very high | 105 Ų | 105 | 117.9 Ų | 117.9 | 64% | 0.636 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -73.2 | -38.6 | 174.1 | 169 | 0 | 0 | 0 | 0 | 111.6 | R129 R130 V131 K136 R137 | R129-V133 VanDerWaalsContact O-CG2 3.32Å; R129-V133 WeakPolarHBondContact O-CG2 3.33Å; R129-V133 PolarHBondContact O-N 3.17Å; R129-V133 VanDerWaalsContact O-N 3.09Å; R130-V133 PolarHBondContact O-N 2.68Å; V131-V133 VanDerWaalsContact C-N 3.31Å; V131-V133 PolarHBondContact O-N 3.27Å; V133-K136 PolarHBondContact O-N 3.07Å; V133-R137 WeakPolarHBondContact O-CB 3.39Å; V133-R137 PolarHBondContact O-N 3.06Å |
| 134 | E | 91.9 | Very high | 91 | Very high | 131 Ų | 131 | 112.4 Ų | 112.4 | 61% | 0.612 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69 | -41.2 | 176.2 | -176.3 | 152 | -125.9 | 0 | 0 | 112 | R130 V131 R137 R138 | R130-E134 WeakPolarHBondContact O-CB 3.49Å; R130-E134 PolarHBondContact O-N 3.38Å; V131-E134 PolarHBondContact O-N 2.86Å; E134-R137 CarbonylContact O-C 3.59Å; E134-R137 WeakPolarHBondContact O-CB 3.3Å; E134-R137 PolarHBondContact O-N 3.46Å; E134-R138 PolarHBondContact O-N 3.07Å |
| 135 | E | 91.3 | Very high | 91.5 | Very high | 101 Ų | 101 | 117.5 Ų | 117.5 | 47% | 0.472 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.4 | -48.3 | 171.1 | -166 | -149.1 | 169.5 | 0 | 0 | 110.7 | V131 R137 R138 Q139 | V131-E135 VanDerWaalsContact O-CB 3.32Å; V131-E135 WeakPolarHBondContact O-CB 3.31Å; V131-E135 PolarHBondContact O-N 2.84Å; E135-R137 VanDerWaalsContact C-N 3.27Å; E135-R137 PolarHBondContact O-N 3.34Å; E135-R138 CarbonylContact O-C 3.59Å; E135-R138 WeakPolarHBondContact O-CB 3.24Å; E135-R138 PolarHBondContact O-N 3.33Å; E135-Q139 VanDerWaalsContact CD-NE2 3.29Å; E135-Q139 WeakPolarHBondContact O-CB 3.28Å; E135-Q139 WeakPolarHBondContact O-CG 3.37Å; E135-Q139 PolarHBondContact O-N 3.41Å; E135-Q139 PolarHBondContact OE1-NE2 3.42Å |
| 136 | K | 93.5 | Very high | 91.7 | Very high | 133 Ų | 133 | 115.9 Ų | 115.9 | 58% | 0.578 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.8 | -34.4 | 175 | -79.9 | -73.6 | 163.5 | -156.4 | 0 | 113 | A132 V133 K140 | A132-K136 WeakPolarHBondContact O-CB 3.4Å; A132-K136 WeakPolarHBondContact O-CG 3.13Å; A132-K136 PolarHBondContact O-N 3.49Å; A132-K136 VanDerWaalsContact O-N 3.07Å; V133-K136 PolarHBondContact O-N 3.07Å; K136-K140 PolarHBondContact O-N 3.5Å |
| 137 | R | 88.1 | Confident | 92 | Very high | 166 Ų | 166 | 117.7 Ų | 117.7 | 63% | 0.626 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.2 | -40.1 | 173 | -172.9 | -177.7 | -177.1 | -168.8 | 1 | 111.6 | V133 E134 E135 Q141 | V133-R137 WeakPolarHBondContact O-CB 3.39Å; V133-R137 PolarHBondContact O-N 3.06Å; E134-R137 CarbonylContact O-C 3.59Å; E134-R137 WeakPolarHBondContact O-CB 3.3Å; E134-R137 PolarHBondContact O-N 3.46Å; E135-R137 VanDerWaalsContact C-N 3.27Å; E135-R137 PolarHBondContact O-N 3.34Å; R137-Q141 WeakPolarHBondContact O-CG 3.26Å; R137-Q141 PolarHBondContact O-N 2.93Å; R137-Q141 VanDerWaalsContact O-N 3.16Å |
| 138 | R | 89.8 | Confident | 92.3 | Very high | 153 Ų | 153 | 118.2 Ų | 118.2 | 58% | 0.577 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.4 | -49.3 | 177 | -154.7 | -161.7 | 92.5 | -171 | 7.2 | 111.4 | E134 E135 K140 Q141 E142 | E134-R138 PolarHBondContact O-N 3.07Å; E135-R138 CarbonylContact O-C 3.59Å; E135-R138 WeakPolarHBondContact O-CB 3.24Å; E135-R138 PolarHBondContact O-N 3.33Å; R138-K140 VanDerWaalsContact C-N 3.26Å; R138-K140 PolarHBondContact O-N 3.36Å; R138-Q141 PolarHBondContact O-N 3.47Å; R138-E142 IonicContact CZ-OE2 3.4Å; R138-E142 IonicContact NE-OE2 2.69Å; R138-E142 PolarHBondContact NE-OE2 3.36Å; R138-E142 VanDerWaalsContact NE-OE2 3.13Å; R138-E142 IonicContact NH2-OE2 3.33Å; R138-E142 PolarHBondContact NH2-OE2 3.27Å; R138-E142 WeakPolarHBondContact O-CB 3.15Å; R138-E142 PolarHBondContact O-N 2.88Å |
| 139 | Q | 93 | Very high | 92.6 | Very high | 56 Ų | 56 | 114.8 Ų | 114.8 | 26% | 0.262 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -50.5 | -46 | 173.8 | -73.9 | 176.7 | 4.5 | 0 | 0 | 110.9 | E135 E142 E143 | E135-Q139 VanDerWaalsContact CD-NE2 3.29Å; E135-Q139 WeakPolarHBondContact O-CB 3.28Å; E135-Q139 WeakPolarHBondContact O-CG 3.37Å; E135-Q139 PolarHBondContact O-N 3.41Å; E135-Q139 PolarHBondContact OE1-NE2 3.42Å; Q139-E142 PolarHBondContact O-N 3.13Å; Q139-E143 WeakPolarHBondContact O-CB 3.5Å; Q139-E143 WeakPolarHBondContact O-CG 3.39Å; Q139-E143 PolarHBondContact O-N 2.95Å |
| 140 | K | 94 | Very high | 92.8 | Very high | 127 Ų | 127 | 109 Ų | 109 | 55% | 0.552 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.1 | -42.7 | 176.6 | -174.3 | 176.7 | 178.4 | -177.5 | 0 | 113.3 | K136 R138 E142 E143 D144 | K136-K140 PolarHBondContact O-N 3.5Å; R138-K140 VanDerWaalsContact C-N 3.26Å; R138-K140 PolarHBondContact O-N 3.36Å; K140-E142 VanDerWaalsContact C-N 3.28Å; K140-E142 PolarHBondContact O-N 2.9Å; K140-E143 PolarHBondContact O-N 3.07Å; K140-D144 WeakPolarHBondContact CE-OD2 3.14Å; K140-D144 WeakPolarHBondContact O-CB 3.31Å; K140-D144 PolarHBondContact O-N 2.78Å |
| 141 | Q | 88.6 | Confident | 93.2 | Very high | 119 Ų | 119 | 105.4 Ų | 105.4 | 56% | 0.556 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.7 | -35.3 | 176.5 | -71.9 | 175.4 | -11 | 0 | 0 | 111.9 | R137 R138 R145 | R137-Q141 WeakPolarHBondContact O-CG 3.26Å; R137-Q141 PolarHBondContact O-N 2.93Å; R137-Q141 VanDerWaalsContact O-N 3.16Å; R138-Q141 PolarHBondContact O-N 3.47Å; Q141-R145 VanDerWaalsContact O-CB 3.26Å; Q141-R145 WeakPolarHBondContact O-CB 3.43Å; Q141-R145 PolarHBondContact O-N 2.92Å |
| 142 | E | 91.6 | Very high | 93.4 | Very high | 84 Ų | 84 | 105.4 Ų | 105.4 | 39% | 0.393 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71.1 | -43.2 | 177.3 | -162.5 | 138.4 | -131.6 | 0 | 0 | 111 | R138 Q139 K140 R145 V146 | R138-E142 IonicContact CZ-OE2 3.4Å; R138-E142 IonicContact NE-OE2 2.69Å; R138-E142 PolarHBondContact NE-OE2 3.36Å; R138-E142 VanDerWaalsContact NE-OE2 3.13Å; R138-E142 IonicContact NH2-OE2 3.33Å; R138-E142 PolarHBondContact NH2-OE2 3.27Å; R138-E142 WeakPolarHBondContact O-CB 3.15Å; R138-E142 PolarHBondContact O-N 2.88Å; Q139-E142 PolarHBondContact O-N 3.13Å; K140-E142 VanDerWaalsContact C-N 3.28Å; K140-E142 PolarHBondContact O-N 2.9Å; E142-R145 PolarHBondContact O-N 2.82Å; E142-V146 WeakPolarHBondContact O-CB 3.5Å; E142-V146 VanDerWaalsContact O-CG2 3.31Å; E142-V146 WeakPolarHBondContact O-CG2 3.41Å; E142-V146 PolarHBondContact O-N 3.47Å |
| 143 | E | 93.3 | Very high | 93.4 | Very high | 94 Ų | 94 | 111.2 Ų | 111.2 | 44% | 0.439 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.1 | -50.6 | 168.8 | -81.4 | -177.3 | -129.6 | 0 | 0 | 112.4 | Q139 K140 R145 V146 R147 | Q139-E143 WeakPolarHBondContact O-CB 3.5Å; Q139-E143 WeakPolarHBondContact O-CG 3.39Å; Q139-E143 PolarHBondContact O-N 2.95Å; K140-E143 PolarHBondContact O-N 3.07Å; E143-R145 VanDerWaalsContact C-N 3.29Å; E143-R145 PolarHBondContact O-N 3.38Å; E143-V146 PolarHBondContact O-N 3.23Å; E143-R147 WeakPolarHBondContact O-CB 3.39Å; E143-R147 WeakPolarHBondContact O-CG 3.14Å; E143-R147 PolarHBondContact O-N 2.83Å; E143-R147 IonicContact OE2-CZ 3.41Å; E143-R147 IonicContact OE2-NH1 3.96Å; E143-R147 IonicContact OE2-NH2 2.67Å; E143-R147 PolarHBondContact OE2-NH2 2.82Å |
| 144 | D | 94.7 | Very high | 93.3 | Very high | 71 Ų | 71 | 115.2 Ų | 115.2 | 38% | 0.38 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.2 | -31.5 | -178.3 | -73.6 | -26.8 | 0 | 0 | 0 | 111.3 | K140 R147 H148 | K140-D144 WeakPolarHBondContact CE-OD2 3.14Å; K140-D144 WeakPolarHBondContact O-CB 3.31Å; K140-D144 PolarHBondContact O-N 2.78Å; D144-R147 IonicContact OD1-CZ 3.84Å; D144-R147 IonicContact OD1-NH1 2.92Å; D144-R147 PolarHBondContact OD1-NH1 2.83Å; D144-H148 WeakPolarHBondContact O-CB 3.34Å; D144-H148 PolarHBondContact O-N 3.5Å |
| 145 | R | 96.3 | Very high | 93.2 | Very high | 177 Ų | 177 | 112.9 Ų | 112.9 | 67% | 0.668 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.1 | -48.3 | 168.6 | -179.6 | -177.3 | 178.5 | -174.9 | 0.5 | 112.1 | Q141 E142 E143 R147 H148 E149 | Q141-R145 VanDerWaalsContact O-CB 3.26Å; Q141-R145 WeakPolarHBondContact O-CB 3.43Å; Q141-R145 PolarHBondContact O-N 2.92Å; E142-R145 PolarHBondContact O-N 2.82Å; E143-R145 VanDerWaalsContact C-N 3.29Å; E143-R145 PolarHBondContact O-N 3.38Å; R145-R147 VanDerWaalsContact C-N 3.33Å; R145-R147 PolarHBondContact O-N 3.32Å; R145-H148 WeakPolarHBondContact O-CB 3.32Å; R145-H148 PolarHBondContact O-N 2.99Å; R145-E149 PolarHBondContact O-N 2.9Å |
| 146 | V | 95.8 | Very high | 93.1 | Very high | 89 Ų | 89 | 112.8 Ų | 112.8 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.3 | -37.1 | 178.1 | 168.3 | 0 | 0 | 0 | 0 | 111.3 | E142 E143 E149 A150 | E142-V146 WeakPolarHBondContact O-CB 3.5Å; E142-V146 VanDerWaalsContact O-CG2 3.31Å; E142-V146 WeakPolarHBondContact O-CG2 3.41Å; E142-V146 PolarHBondContact O-N 3.47Å; E143-V146 PolarHBondContact O-N 3.23Å; V146-E149 PolarHBondContact O-N 3.26Å; V146-A150 VanDerWaalsContact O-CB 3.27Å; V146-A150 WeakPolarHBondContact O-CB 3.43Å; V146-A150 PolarHBondContact O-N 3.29Å |
| 147 | R | 94.8 | Very high | 92.8 | Very high | 135 Ų | 135 | 111.5 Ų | 111.5 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 172.1 | -72.1 | 165.7 | -175.5 | 171.1 | 2.8 | 111.6 | E143 D144 R145 A150 V151 | E143-R147 WeakPolarHBondContact O-CB 3.39Å; E143-R147 WeakPolarHBondContact O-CG 3.14Å; E143-R147 PolarHBondContact O-N 2.83Å; E143-R147 IonicContact OE2-CZ 3.41Å; E143-R147 IonicContact OE2-NH1 3.96Å; E143-R147 IonicContact OE2-NH2 2.67Å; E143-R147 PolarHBondContact OE2-NH2 2.82Å; D144-R147 IonicContact OD1-CZ 3.84Å; D144-R147 IonicContact OD1-NH1 2.92Å; D144-R147 PolarHBondContact OD1-NH1 2.83Å; R145-R147 VanDerWaalsContact C-N 3.33Å; R145-R147 PolarHBondContact O-N 3.32Å; R147-A150 PolarHBondContact O-N 2.91Å; R147-V151 WeakPolarHBondContact O-CG2 3.25Å; R147-V151 PolarHBondContact O-N 3.48Å |
| 148 | H | 94.6 | Very high | 92.7 | Very high | 125 Ų | 125 | 113.2 Ų | 113.2 | 58% | 0.579 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.3 | -43.9 | 176 | -177.4 | 61.4 | 0 | 0 | 0 | 111.8 | D144 R145 V151 I152 | D144-H148 WeakPolarHBondContact O-CB 3.34Å; D144-H148 PolarHBondContact O-N 3.5Å; R145-H148 WeakPolarHBondContact O-CB 3.32Å; R145-H148 PolarHBondContact O-N 2.99Å; H148-V151 WeakPolarHBondContact O-CB 3.46Å; H148-V151 PolarHBondContact O-N 3.48Å; H148-I152 WeakPolarHBondContact O-CG1 3.42Å; H148-I152 PolarHBondContact O-N 3.48Å |
| 149 | E | 96 | Very high | 92.4 | Very high | 77 Ų | 77 | 109.4 Ų | 109.4 | 36% | 0.36 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64 | -42 | 175.2 | -164.5 | -170.9 | 144.7 | 0 | 0 | 112.1 | R145 V146 V151 I152 R153 | R145-E149 PolarHBondContact O-N 2.9Å; V146-E149 PolarHBondContact O-N 3.26Å; E149-V151 VanDerWaalsContact C-N 3.28Å; E149-V151 PolarHBondContact O-N 2.61Å; E149-I152 CarbonylContact O-C 3.59Å; E149-I152 PolarHBondContact O-N 3.19Å; E149-I152 VanDerWaalsContact O-N 3.1Å; E149-R153 WeakPolarHBondContact O-CG 3.48Å; E149-R153 PolarHBondContact O-N 2.86Å; E149-R153 IonicContact OE1-CZ 3.15Å; E149-R153 IonicContact OE1-NE 2.8Å; E149-R153 PolarHBondContact OE1-NE 3.33Å; E149-R153 IonicContact OE1-NH2 2.67Å; E149-R153 PolarHBondContact OE1-NH2 3.29Å |
| 150 | A | 94 | Very high | 91.5 | Very high | 55 Ų | 55 | 113.5 Ų | 113.5 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.7 | -33.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V146 R147 R154 | V146-A150 VanDerWaalsContact O-CB 3.27Å; V146-A150 WeakPolarHBondContact O-CB 3.43Å; V146-A150 PolarHBondContact O-N 3.29Å; R147-A150 PolarHBondContact O-N 2.91Å; A150-R154 WeakPolarHBondContact O-CB 3.27Å; A150-R154 PolarHBondContact O-N 2.88Å |
| 151 | V | 96.8 | Very high | 90 | Very high | 85 Ų | 85 | 114.5 Ų | 114.5 | 52% | 0.515 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.3 | -45.5 | 170.2 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | R147 H148 E149 R154 T155 | R147-V151 WeakPolarHBondContact O-CG2 3.25Å; R147-V151 PolarHBondContact O-N 3.48Å; H148-V151 WeakPolarHBondContact O-CB 3.46Å; H148-V151 PolarHBondContact O-N 3.48Å; E149-V151 VanDerWaalsContact C-N 3.28Å; E149-V151 PolarHBondContact O-N 2.61Å; V151-R154 PolarHBondContact O-N 2.86Å; V151-T155 WeakPolarHBondContact O-CG2 3.41Å; V151-T155 PolarHBondContact O-N 3.4Å; V151-T155 PolarHBondContact O-OG1 2.94Å |
| 152 | I | 95.6 | Very high | 88.3 | Confident | 83 Ų | 83 | 113.9 Ų | 113.9 | 43% | 0.426 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62 | -46.1 | 176.5 | -68.6 | 169.4 | 0 | 0 | 0 | 111.5 | H148 E149 R154 T155 L156 | H148-I152 WeakPolarHBondContact O-CG1 3.42Å; H148-I152 PolarHBondContact O-N 3.48Å; E149-I152 CarbonylContact O-C 3.59Å; E149-I152 PolarHBondContact O-N 3.19Å; E149-I152 VanDerWaalsContact O-N 3.1Å; I152-R154 VanDerWaalsContact C-N 3.33Å; I152-R154 PolarHBondContact O-N 3.46Å; I152-T155 PolarHBondContact O-N 3.02Å; I152-T155 PolarHBondContact O-OG1 2.65Å; I152-L156 VanDerWaalsContact O-CB 3.31Å; I152-L156 WeakPolarHBondContact O-CB 3.44Å; I152-L156 PolarHBondContact O-N 3.36Å |
| 153 | R | 92.7 | Very high | 86.5 | Confident | 170 Ų | 170 | 120.1 Ų | 120.1 | 64% | 0.642 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.5 | -41.4 | 176.2 | -70.1 | -174.1 | -174.9 | -140.7 | 7.5 | 111 | E149 E157 | E149-R153 WeakPolarHBondContact O-CG 3.48Å; E149-R153 PolarHBondContact O-N 2.86Å; E149-R153 IonicContact OE1-CZ 3.15Å; E149-R153 IonicContact OE1-NE 2.8Å; E149-R153 PolarHBondContact OE1-NE 3.33Å; E149-R153 IonicContact OE1-NH2 2.67Å; E149-R153 PolarHBondContact OE1-NH2 3.29Å; R153-E157 VanDerWaalsContact O-CB 3.26Å; R153-E157 WeakPolarHBondContact O-CB 3.49Å; R153-E157 PolarHBondContact O-N 2.95Å |
| 154 | R | 92.4 | Very high | 84.7 | Confident | 188 Ų | 188 | 121.3 Ų | 121.3 | 71% | 0.709 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.9 | -37.6 | 176.3 | 178.8 | 178.8 | -79.8 | 170.8 | -5.5 | 113.1 | A150 V151 I152 R158 | A150-R154 WeakPolarHBondContact O-CB 3.27Å; A150-R154 PolarHBondContact O-N 2.88Å; V151-R154 PolarHBondContact O-N 2.86Å; I152-R154 VanDerWaalsContact C-N 3.33Å; I152-R154 PolarHBondContact O-N 3.46Å; R154-R158 VanDerWaalsContact O-CB 3.29Å; R154-R158 WeakPolarHBondContact O-CB 3.36Å; R154-R158 PolarHBondContact O-N 2.9Å |
| 155 | T | 90.3 | Very high | 82.6 | Confident | 82 Ų | 82 | 127.7 Ų | 127.7 | 50% | 0.503 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -71.5 | -41.2 | 176.1 | 52.5 | 0 | 0 | 0 | 0 | 111.5 | V151 I152 R158 S159 | V151-T155 WeakPolarHBondContact O-CG2 3.41Å; V151-T155 PolarHBondContact O-N 3.4Å; V151-T155 PolarHBondContact O-OG1 2.94Å; I152-T155 PolarHBondContact O-N 3.02Å; I152-T155 PolarHBondContact O-OG1 2.65Å; T155-R158 PolarHBondContact O-N 3.15Å; T155-S159 PolarHBondContact O-N 2.93Å; T155-S159 PolarHBondContact O-OG 3.4Å |
| 156 | L | 89.3 | Confident | 81.1 | Confident | 100 Ų | 100 | 127.8 Ų | 127.8 | 52% | 0.524 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63 | -43.8 | 174 | -177 | 63.7 | 0 | 0 | 0 | 111.9 | I152 R158 S159 Q160 | I152-L156 VanDerWaalsContact O-CB 3.31Å; I152-L156 WeakPolarHBondContact O-CB 3.44Å; I152-L156 PolarHBondContact O-N 3.36Å; L156-R158 VanDerWaalsContact C-N 3.32Å; L156-R158 PolarHBondContact O-N 3.47Å; L156-S159 PolarHBondContact O-N 3.46Å; L156-S159 PolarHBondContact O-OG 3.27Å; L156-Q160 WeakPolarHBondContact O-CB 3.29Å; L156-Q160 WeakPolarHBondContact O-CG 3.48Å; L156-Q160 PolarHBondContact O-N 3.17Å |
| 157 | E | 86.4 | Confident | 78.7 | Confident | 106 Ų | 106 | 130.1 Ų | 130.1 | 50% | 0.495 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -63.3 | -39 | 174.8 | -178.1 | 178.4 | -164.2 | 0 | 0 | 111.5 | R153 Q160 K161 | R153-E157 VanDerWaalsContact O-CB 3.26Å; R153-E157 WeakPolarHBondContact O-CB 3.49Å; R153-E157 PolarHBondContact O-N 2.95Å; E157-Q160 PolarHBondContact O-N 2.8Å; E157-K161 HydrophobicContact CG-CD 3.9Å; E157-K161 WeakPolarHBondContact O-CB 3.33Å; E157-K161 PolarHBondContact O-N 2.9Å; E157-K161 IonicContact OE1-NZ 2.66Å; E157-K161 PolarHBondContact OE1-NZ 3.26Å |
| 158 | R | 85.8 | Confident | 76.6 | Confident | 201 Ų | 201 | 133.5 Ų | 133.5 | 76% | 0.758 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.2 | -37.8 | 177.5 | -174.4 | 174.1 | 179.1 | 169.4 | 0.3 | 112.5 | R154 T155 L156 | R154-R158 VanDerWaalsContact O-CB 3.29Å; R154-R158 WeakPolarHBondContact O-CB 3.36Å; R154-R158 PolarHBondContact O-N 2.9Å; T155-R158 PolarHBondContact O-N 3.15Å; L156-R158 VanDerWaalsContact C-N 3.32Å; L156-R158 PolarHBondContact O-N 3.47Å |
| 159 | S | 83.4 | Confident | 74.4 | Confident | 74 Ų | 74 | 139.2 Ų | 139.2 | 52% | 0.517 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -77.5 | -24.2 | 174.5 | 59.3 | 0 | 0 | 0 | 0 | 113.5 | T155 L156 T162 | T155-S159 PolarHBondContact O-N 2.93Å; T155-S159 PolarHBondContact O-OG 3.4Å; L156-S159 PolarHBondContact O-N 3.46Å; L156-S159 PolarHBondContact O-OG 3.27Å; S159-T162 PolarHBondContact O-OG1 3.13Å |
| 160 | Q | 75.5 | Confident | 72.2 | Confident | 141 Ų | 141 | 139.9 Ų | 139.9 | 66% | 0.659 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -72.3 | -38.5 | 168.6 | -70.9 | -82.9 | 3.5 | 0 | 0 | 112 | L156 E157 T162 | L156-Q160 WeakPolarHBondContact O-CB 3.29Å; L156-Q160 WeakPolarHBondContact O-CG 3.48Å; L156-Q160 PolarHBondContact O-N 3.17Å; E157-Q160 PolarHBondContact O-N 2.8Å; Q160-T162 VanDerWaalsContact C-N 3.26Å; Q160-T162 PolarHBondContact O-N 3.5Å |
| 161 | K | 61.5 | Low | 70.3 | Confident | 148 Ų | 148 | 149.2 Ų | 149.2 | 64% | 0.643 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -69.9 | -15.7 | 179.7 | -108.5 | 78.1 | 176.1 | -170.1 | 0 | 114 | E157 R163 | E157-K161 HydrophobicContact CG-CD 3.9Å; E157-K161 WeakPolarHBondContact O-CB 3.33Å; E157-K161 PolarHBondContact O-N 2.9Å; E157-K161 IonicContact OE1-NZ 2.66Å; E157-K161 PolarHBondContact OE1-NZ 3.26Å; K161-R163 PolarHBondContact O-N 2.88Å |
| 162 | T | 53.2 | Low | 68 | Low | 106 Ų | 106 | 148.9 Ų | 148.9 | 65% | 0.65 | 70% | 0.699 | S | S | * | * | trans | -75.4 | 59.6 | 175.3 | 41.7 | 0 | 0 | 0 | 0 | 113.3 | S159 Q160 | S159-T162 PolarHBondContact O-OG1 3.13Å; Q160-T162 VanDerWaalsContact C-N 3.26Å; Q160-T162 PolarHBondContact O-N 3.5Å | ||
| 163 | R | 54.2 | Low | 65.6 | Low | 216 Ų | 216 | 148.7 Ų | 148.7 | 82% | 0.815 | 72% | 0.718 | S | S | * | * | trans | -61.3 | 142.4 | 155 | -83.7 | -79.4 | 177.4 | 156.3 | -3.6 | 108.7 | K161 K165 | K161-R163 PolarHBondContact O-N 2.88Å; R163-K165 VanDerWaalsContact C-N 3.3Å; R163-K165 PolarHBondContact O-N 3.48Å | ||
| 164 | P | 54.8 | Low | 63 | Low | 119 Ų | 119 | 145.5 Ų | 145.5 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | trans | -75.3 | 75.3 | -170.3 | 30.7 | -36.6 | 0 | 0 | 0 | 112.5 | Q166 | P164-Q166 VanDerWaalsContact C-N 3.33Å; P164-Q166 PolarHBondContact O-N 2.95Å | ||
| 165 | K | 52.3 | Low | 60.8 | Low | 204 Ų | 204 | 143.8 Ų | 143.8 | 89% | 0.887 | 73% | 0.731 | S | S | * | * | trans | -82.2 | 82 | 175.5 | -158.8 | 165.7 | -171.7 | 174.6 | 0 | 110.2 | R163 N167 | R163-K165 VanDerWaalsContact C-N 3.3Å; R163-K165 PolarHBondContact O-N 3.48Å; K165-N167 PolarHBondContact O-N 3.3Å | ||
| 166 | Q | 63.8 | Low | 58.6 | Low | 180 Ų | 180 | 147.3 Ų | 147.3 | 84% | 0.841 | 74% | 0.742 | S | S | * | * | trans | -49.1 | 101.7 | 175.3 | 43 | 169.4 | -23.7 | 0 | 0 | 113.6 | P164 | P164-Q166 VanDerWaalsContact C-N 3.33Å; P164-Q166 PolarHBondContact O-N 2.95Å | ||
| 167 | N | 45.8 | Very low | 56.1 | Low | 138 Ų | 138 | 148.5 Ų | 148.5 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | trans | -164.5 | 112.3 | 148 | -120.7 | -48.8 | 0 | 0 | 0 | 114.5 | K165 | K165-N167 PolarHBondContact O-N 3.3Š| ||
| 168 | R | 50.3 | Low | 53.7 | Low | 206 Ų | 206 | 150.7 Ų | 150.7 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | 42 | 86.6 | 125.2 | -164.4 | 176.2 | -175.6 | -112.2 | 4.3 | 118.2 | |||||
| 169 | W | 47.6 | Very low | 51.2 | Low | 244 Ų | 244 | 148 Ų | 148 | 92% | 0.924 | 78% | 0.775 | S | S | * | * | trans | -98.2 | 99.8 | 147.8 | -82.5 | -22.4 | 0 | 0 | 0 | 110.1 | W171 | W169-W171 PolarHBondContact O-N 2.88Š| ||
| 170 | S | 51.4 | Low | 49.9 | Very low | 92 Ų | 92 | 149.8 Ų | 149.8 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | trans | -80 | 106.8 | 170.3 | 48.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 171 | W | 53.1 | Low | 48.1 | Very low | 251 Ų | 251 | 148.1 Ų | 148.1 | 95% | 0.951 | 79% | 0.788 | S | S | * | * | trans | -73.5 | 122.7 | 165.6 | -73.1 | 83.3 | 0 | 0 | 0 | 109.4 | W169 | W169-W171 PolarHBondContact O-N 2.88Š| ||
| 172 | G | 48.3 | Very low | 47.4 | Very low | 77 Ų | 77 | 149 Ų | 149 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | 172.9 | 91.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 173 | G | 46.1 | Very low | 47.3 | Very low | 80 Ų | 80 | 149.6 Ų | 149.6 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 132.8 | 170 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 174 | A | 37.5 | Very low | 46.6 | Very low | 103 Ų | 103 | 143.9 Ų | 143.9 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 144.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 175 | L | 45.8 | Very low | 45.9 | Very low | 151 Ų | 151 | 146.5 Ų | 146.5 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -102 | 163.6 | 177.3 | -69.2 | 177.6 | 0 | 0 | 0 | 112.5 | ||
| 176 | H | 45.3 | Very low | 45.3 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -61 | 156.5 | -173.5 | 40.9 | -102.2 | 0 | 0 | 0 | 116.7 | ||
| 177 | T | 35.4 | Very low | 43.9 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -144.3 | 120.6 | 152.6 | 40.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 178 | N | 35.8 | Very low | 43.8 | Very low | 151 Ų | 151 | 141 Ų | 141 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | trans | 52.3 | 111.2 | 140.6 | -52.9 | -28.2 | 0 | 0 | 0 | 123 | ||||
| 179 | T | 34.9 | Very low | 43.3 | Very low | 144 Ų | 144 | 140.8 Ų | 140.8 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -141.3 | 135.4 | 131.3 | -50.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 180 | P | 54.7 | Low | 43.2 | Very low | 112 Ų | 112 | 134 Ų | 134 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -109.7 | 157.9 | -172.4 | 39.4 | -33.8 | 0 | 0 | 0 | 115.3 | ||||
| 181 | S | 38.1 | Very low | 42.6 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | 147.5 | 138.4 | 117.6 | 62.9 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 182 | I | 46.5 | Very low | 42.2 | Very low | 167 Ų | 167 | 129.3 Ų | 129.3 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | 76.8 | 141.5 | 151.4 | -72.6 | 165.7 | 0 | 0 | 0 | 119.1 | ||||
| 183 | P | 51.2 | Low | 41.7 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -134 | 164.4 | -143.5 | 41.3 | -23.4 | 0 | 0 | 0 | 117.6 | ||||
| 184 | A | 41.1 | Very low | 41.4 | Very low | 95 Ų | 95 | 132.5 Ų | 132.5 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -150.3 | 147.3 | 149.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 185 | D | 38.2 | Very low | 41.8 | Very low | 175 Ų | 175 | 135.5 Ų | 135.5 | 94% | 0.936 | 77% | 0.774 | S | S | * | * | trans | 35 | 111.5 | 177.2 | -81.3 | -56.7 | 0 | 0 | 0 | 120.1 | ||||
| 186 | A | 41.3 | Very low | 41.8 | Very low | 101 Ų | 101 | 134.2 Ų | 134.2 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | -134.4 | 116.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 187 | D | 33.8 | Very low | 41.5 | Very low | 118 Ų | 118 | 132 Ų | 132 | 63% | 0.631 | 77% | 0.769 | S | S | * | * | -167 | 162.4 | 112.2 | -166.1 | 9.7 | 0 | 0 | 0 | 109.8 | |||||
| 188 | R | 43.6 | Very low | 42.1 | Very low | 186 Ų | 186 | 135.1 Ų | 135.1 | 70% | 0.702 | 77% | 0.772 | S | S | * | * | trans | 75.5 | 70.6 | 160.3 | -46.3 | -155.6 | 178.2 | -145.5 | -15.4 | 119.6 | ||||
| 189 | R | 39.4 | Very low | 41.9 | Very low | 203 Ų | 203 | 135 Ų | 135 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | 72.3 | 152.9 | 113.8 | -66.9 | 149.6 | -174.2 | -95.7 | -3.4 | 118.6 | |||||
| 190 | S | 45.6 | Very low | 41.9 | Very low | 100 Ų | 100 | 133.5 Ų | 133.5 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | trans | 65.6 | 91.9 | 156.7 | -57.9 | 0 | 0 | 0 | 0 | 116.5 | S192 | S190-S192 PolarHBondContact O-N 2.81Š| ||
| 191 | V | 39.5 | Very low | 40.7 | Very low | 169 Ų | 169 | 133.9 Ų | 133.9 | 100% | 1.024 | 75% | 0.753 | S | S | * | * | trans | -70.4 | 77.1 | 149.6 | -159.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 192 | S | 43.5 | Very low | 41.2 | Very low | 76 Ų | 76 | 135 Ų | 135 | 53% | 0.531 | 76% | 0.758 | S | S | . | * | trans | -136.6 | 132 | -176.2 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | S190 | S190-S192 PolarHBondContact O-N 2.81Š| ||
| 193 | T | 37.7 | Very low | 40.8 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | 65.7 | 155.1 | -175.5 | 87.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 194 | V | 40.1 | Very low | 40.2 | Very low | 93 Ų | 93 | 134.1 Ų | 134.1 | 56% | 0.564 | 75% | 0.745 | S | S | * | * | cis | -168.5 | 150.2 | -28.4 | 120.6 | 0 | 0 | 0 | 0 | 106.2 | L196 | V194-L196 HydrophobicContact CG1-CB 3.76Å; V194-L196 HydrophobicContact CG1-CD1 3.49Å; V194-L196 VanDerWaalsContact CG1-CD1 3.49Å; V194-L196 HydrophobicContact CG1-CG 3.52Å | ||
| 195 | N | 45.8 | Very low | 40.1 | Very low | 167 Ų | 167 | 136.1 Ų | 136.1 | 89% | 0.893 | 75% | 0.748 | S | S | * | * | trans | -164.6 | 74.4 | 149.5 | -94.3 | -43.3 | 0 | 0 | 0 | 106.7 | ||||
| 196 | L | 46.6 | Very low | 40.4 | Very low | 123 Ų | 123 | 136.4 Ų | 136.4 | 64% | 0.644 | 74% | 0.741 | S | S | * | * | 45.9 | 114.6 | 82.7 | -91.8 | -177.4 | 0 | 0 | 0 | 114.6 | V194 | V194-L196 HydrophobicContact CG1-CB 3.76Å; V194-L196 HydrophobicContact CG1-CD1 3.49Å; V194-L196 VanDerWaalsContact CG1-CD1 3.49Å; V194-L196 HydrophobicContact CG1-CG 3.52Å | |||
| 197 | S | 39.5 | Very low | 40.5 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -134 | 78.1 | 149 | 53 | 0 | 0 | 0 | 0 | 110.4 | ||
| 198 | K | 47.2 | Very low | 40.7 | Very low | 190 Ų | 190 | 143.5 Ų | 143.5 | 83% | 0.826 | 75% | 0.748 | S | S | * | * | trans | 73.8 | 103.2 | 163.4 | -51.5 | 164.3 | -172.4 | 177.5 | 0 | 114 | ||||
| 199 | H | 32.8 | Very low | 40.6 | Very low | 148 Ų | 148 | 140.2 Ų | 140.2 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | 63.6 | 118.9 | 73.5 | -157.1 | -81.4 | 0 | 0 | 0 | 110.6 | |||||
| 200 | T | 33.4 | Very low | 40.7 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 69% | 0.693 | 75% | 0.75 | S | S | * | * | cis | -150.8 | 152.2 | 48.7 | -40.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 201 | D | 30.5 | Very low | 40.4 | Very low | 120 Ų | 120 | 135 Ų | 135 | 64% | 0.642 | 75% | 0.748 | S | S | * | * | trans | -80.7 | 153 | -176.4 | -52.8 | -85.4 | 0 | 0 | 0 | 116.2 | I203 | D201-I203 HydrophobicContact CB-CD1 4.24Å; D201-I203 HydrophobicContact CB-CG1 4.07Å | ||
| 202 | P | 47.8 | Very low | 40.2 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 84% | 0.844 | 74% | 0.737 | S | S | * | * | trans | -91.1 | 115.8 | 160.4 | 33.8 | -28.2 | 0 | 0 | 0 | 111.1 | ||||
| 203 | I | 37.9 | Very low | 39.8 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 67% | 0.672 | 75% | 0.746 | S | S | * | * | trans | -117.9 | 115.6 | -174.5 | -74.8 | 179.6 | 0 | 0 | 0 | 111.9 | D201 | D201-I203 HydrophobicContact CB-CD1 4.24Å; D201-I203 HydrophobicContact CB-CG1 4.07Å | ||
| 204 | I | 39.8 | Very low | 40.1 | Very low | 136 Ų | 136 | 132.9 Ų | 132.9 | 70% | 0.697 | 75% | 0.746 | S | S | * | * | trans | 57.3 | 117.9 | 147.8 | -59.4 | 175.1 | 0 | 0 | 0 | 115.7 | ||||
| 205 | T | 37.6 | Very low | 40 | Very low | 138 Ų | 138 | 136.5 Ų | 136.5 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | -133.3 | 143.8 | 68.1 | 43.3 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 206 | K | 45.3 | Very low | 39.4 | Very low | 181 Ų | 181 | 135.3 Ų | 135.3 | 79% | 0.787 | 75% | 0.754 | S | S | * | * | trans | -67.3 | 152.2 | 173.9 | -53.7 | 167.6 | -178.6 | 176.3 | 0 | 111.7 | ||||
| 207 | R | 43.8 | Very low | 38.8 | Very low | 216 Ų | 216 | 136.5 Ų | 136.5 | 82% | 0.815 | 76% | 0.761 | S | S | * | * | 175.9 | 114.6 | 102.2 | -91.2 | 176 | 89.6 | 167.1 | 5.4 | 114.4 | |||||
| 208 | L | 37.7 | Very low | 38.6 | Very low | 151 Ų | 151 | 137 Ų | 137 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | 73.7 | 135.8 | 140.7 | -56 | 175.2 | 0 | 0 | 0 | 122 | ||||
| 209 | S | 42.3 | Very low | 38.9 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | 66.2 | 116 | 154.3 | -132.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 210 | S | 41.3 | Very low | 39.1 | Very low | 101 Ų | 101 | 133.8 Ų | 133.8 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | -77.4 | 162.6 | 147.8 | 178.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 211 | S | 38.9 | Very low | 39.4 | Very low | 94 Ų | 94 | 139.6 Ų | 139.6 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | trans | 70.1 | 135 | 162.3 | -40.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 212 | S | 34.4 | Very low | 39.7 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | cis | -156.7 | 167.9 | 28.8 | -64.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 213 | A | 36 | Very low | 39.4 | Very low | 88 Ų | 88 | 139.4 Ų | 139.4 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | 60.4 | 118.8 | 146.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 214 | T | 43 | Very low | 39.4 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | 22 | 124.1 | 136.6 | 57.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 215 | L | 37.8 | Very low | 39.3 | Very low | 168 Ų | 168 | 144.4 Ų | 144.4 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | -164.6 | 159.1 | 126.7 | -106.4 | 168.4 | 0 | 0 | 0 | 113.1 | |||||
| 216 | L | 34.4 | Very low | 39 | Very low | 143 Ų | 143 | 149.5 Ų | 149.5 | 75% | 0.749 | 81% | 0.808 | S | S | * | * | trans | -64.5 | 155.3 | -163 | -61.6 | 156.7 | 0 | 0 | 0 | 117.8 | ||||
| 217 | N | 34.1 | Very low | 38.8 | Very low | 148 Ų | 148 | 147.3 Ų | 147.3 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | 19.2 | 114 | 144.5 | -60.3 | -16.4 | 0 | 0 | 0 | 119.8 | ||||
| 218 | S | 34.3 | Very low | 38.2 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | -176.1 | 162.1 | 113 | -83 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 219 | P | 55 | Low | 38 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | trans | -109.6 | -175.4 | -166.2 | 42.7 | -36.5 | 0 | 0 | 0 | 115.5 | ||||
| 220 | D | 35.8 | Very low | 37.9 | Very low | 151 Ų | 151 | 140 Ų | 140 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | trans | 86.6 | 156.5 | 160.4 | -161.8 | 37.1 | 0 | 0 | 0 | 118.5 | ||||
| 221 | R | 40.7 | Very low | 38.4 | Very low | 235 Ų | 235 | 141.2 Ų | 141.2 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | trans | 72 | 131.3 | -165.2 | -53.7 | -177.3 | 178.1 | -161.8 | -0.8 | 114.2 | ||||
| 222 | G | 35 | Very low | 38.2 | Very low | 71 Ų | 71 | 142.6 Ų | 142.6 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | cis | -180 | 144 | -5.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q224 | G222-Q224 PolarHBondContact O-N 3.43Š| ||
| 223 | L | 42.9 | Very low | 38.5 | Very low | 174 Ų | 174 | 145.3 Ų | 145.3 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | trans | -40.8 | 129.8 | 179.4 | -61 | 165.5 | 0 | 0 | 0 | 114.3 | ||||
| 224 | Q | 37.6 | Very low | 38.2 | Very low | 198 Ų | 198 | 146.3 Ų | 146.3 | 93% | 0.925 | 82% | 0.821 | S | S | * | * | trans | -149.7 | 130.7 | 144.1 | -134.3 | 164.1 | 94.1 | 0 | 0 | 113 | G222 | G222-Q224 PolarHBondContact O-N 3.43Š| ||
| 225 | M | 37 | Very low | 37.7 | Very low | 174 Ų | 174 | 150.1 Ų | 150.1 | 86% | 0.857 | 83% | 0.827 | S | S | * | * | trans | -67.3 | 153.9 | 176.7 | -65.9 | -75 | -154.3 | 0 | 0 | 111.2 | ||||
| 226 | R | 32.7 | Very low | 37.5 | Very low | 245 Ų | 245 | 146.9 Ų | 146.9 | 93% | 0.925 | 82% | 0.824 | S | S | * | * | trans | -144.2 | 110.5 | 150.5 | -152 | 173.4 | -62.6 | 149.3 | 3.5 | 110.7 | ||||
| 227 | T | 39.3 | Very low | 37.4 | Very low | 135 Ų | 135 | 147.9 Ų | 147.9 | 83% | 0.828 | 83% | 0.825 | S | S | * | * | trans | -86.9 | 143.3 | 172.9 | 39.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 228 | A | 31.6 | Very low | 37.4 | Very low | 94 Ų | 94 | 146.6 Ų | 146.6 | 78% | 0.777 | 83% | 0.827 | S | S | * | * | trans | -157.8 | 142.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 229 | S | 34.8 | Very low | 37.6 | Very low | 112 Ų | 112 | 149.1 Ų | 149.1 | 78% | 0.783 | 82% | 0.823 | S | S | * | * | cis | 175.5 | 159 | -12.5 | 43.5 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 230 | T | 39.7 | Very low | 37.8 | Very low | 124 Ų | 124 | 148.8 Ų | 148.8 | 76% | 0.761 | 82% | 0.821 | S | S | * | * | trans | -69.3 | 170 | -179.8 | 51.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 231 | P | 50.9 | Low | 37.6 | Very low | 128 Ų | 128 | 152.4 Ų | 152.4 | 83% | 0.831 | 82% | 0.824 | S | S | * | * | -131 | 160.4 | 116.3 | 37.2 | -31.2 | 0 | 0 | 0 | 114.8 | |||||
| 232 | V | 36.2 | Very low | 37.2 | Very low | 123 Ų | 123 | 147.2 Ų | 147.2 | 75% | 0.745 | 81% | 0.813 | S | S | * | * | trans | -102.2 | 140.9 | 176.4 | 170.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 233 | I | 39.1 | Very low | 37.2 | Very low | 167 Ų | 167 | 152.6 Ų | 152.6 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | trans | -136.5 | 147.4 | 148.2 | -67.6 | -168.3 | 0 | 0 | 0 | 109.3 | ||||
| 234 | S | 30.6 | Very low | 36.8 | Very low | 110 Ų | 110 | 152 Ų | 152 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -91.5 | 175.1 | -169.8 | 53.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 235 | K | 33.3 | Very low | 36.7 | Very low | 212 Ų | 212 | 146.3 Ų | 146.3 | 92% | 0.922 | 81% | 0.806 | S | S | * | * | trans | -139.2 | 147.6 | 163.4 | -161 | 155.1 | -172.9 | 168.8 | 0 | 111.3 | ||||
| 236 | A | 32.9 | Very low | 36.8 | Very low | 99 Ų | 99 | 146.6 Ų | 146.6 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -84.1 | 171.5 | -164.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 237 | Q | 33.2 | Very low | 37.2 | Very low | 165 Ų | 165 | 141.9 Ų | 141.9 | 77% | 0.771 | 80% | 0.801 | S | S | * | * | trans | -84.7 | 150.9 | -175.5 | -61.1 | -169.4 | 66.5 | 0 | 0 | 114.3 | ||||
| 238 | S | 32.1 | Very low | 37.1 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | -153 | 155.3 | 135.2 | 55 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 239 | K | 39.9 | Very low | 37.1 | Very low | 173 Ų | 173 | 146 Ų | 146 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | -136.1 | -163.5 | -177.7 | -59 | 179 | 178.9 | 169.3 | 0 | 109.2 | ||||
| 240 | P | 57.9 | Low | 36.9 | Very low | 115 Ų | 115 | 148 Ų | 148 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | -128.2 | -179 | -98.6 | 40.9 | -23.5 | 0 | 0 | 0 | 113.5 | |||||
| 241 | R | 32.8 | Very low | 36.8 | Very low | 227 Ų | 227 | 150.6 Ų | 150.6 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | trans | 146.2 | 165.3 | 151.8 | -87.8 | -166.2 | 166.2 | -149.9 | -2.2 | 110.8 | ||||
| 242 | L | 32.3 | Very low | 36.2 | Very low | 126 Ų | 126 | 151.6 Ų | 151.6 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | cis | -174.5 | 130.2 | -33.2 | 173.1 | 147.2 | 0 | 0 | 0 | 108.9 | ||||
| 243 | H | 34.5 | Very low | 36.3 | Very low | 184 Ų | 184 | 152 Ų | 152 | 85% | 0.852 | 80% | 0.803 | S | S | * | * | trans | -165.1 | 137.6 | 150.9 | 40 | 44.6 | 0 | 0 | 0 | 110 | ||||
| 244 | Q | 34.6 | Very low | 36.5 | Very low | 161 Ų | 161 | 147 Ų | 147 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | -98.7 | 143.4 | 175.8 | -68.4 | -170.8 | 7.2 | 0 | 0 | 110.9 | K246 | Q244-K246 VanDerWaalsContact OE1-CE 3.3Š| ||
| 245 | G | 35 | Very low | 37 | Very low | 79 Ų | 79 | 150 Ų | 150 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | -135.2 | 128.4 | 157.1 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 246 | K | 40.2 | Very low | 37.6 | Very low | 179 Ų | 179 | 151.6 Ų | 151.6 | 78% | 0.778 | 80% | 0.799 | S | S | * | * | trans | -107.1 | 115.4 | -172.8 | -65.9 | 174 | -178.5 | 172.5 | 0 | 111.1 | Q244 | Q244-K246 VanDerWaalsContact OE1-CE 3.3Š| ||
| 247 | T | 41 | Very low | 38.6 | Very low | 147 Ų | 147 | 155.8 Ų | 155.8 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -142.3 | 163.9 | 153.7 | 48.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 248 | T | 37.4 | Very low | 40.3 | Very low | 144 Ų | 144 | 155.2 Ų | 155.2 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -79.3 | 144.3 | -150.3 | -48.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 249 | Q | 31.5 | Very low | 42.2 | Very low | 170 Ų | 170 | 155.3 Ų | 155.3 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -63.9 | 126.6 | 170.5 | -76.9 | -85.1 | 11.5 | 0 | 0 | 112.4 | ||||
| 250 | H | 30.2 | Very low | 44 | Very low | 154 Ų | 154 | 149.9 Ų | 149.9 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | -167.4 | 76.8 | 119.9 | -159.3 | -84.3 | 0 | 0 | 0 | 111.5 | |||||
| 251 | K | 37.7 | Very low | 45.1 | Very low | 180 Ų | 180 | 147.5 Ų | 147.5 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | trans | -127.5 | 109.1 | 168.2 | -72.9 | -174.9 | 179.7 | 177.9 | 0 | 109.1 | T253 | K251-T253 PolarHBondContact O-N 2.86Š| ||
| 252 | N | 37.7 | Very low | 47.2 | Very low | 148 Ų | 148 | 142.5 Ų | 142.5 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | -66.8 | 93.3 | 175.7 | -81.9 | -36.6 | 0 | 0 | 0 | 110.1 | G254 | N252-G254 PolarHBondContact O-N 3.29Š| ||
| 253 | T | 38.3 | Very low | 49.2 | Very low | 133 Ų | 133 | 145.1 Ų | 145.1 | 82% | 0.816 | 75% | 0.753 | S | S | * | * | trans | -73 | 68.8 | 170.7 | 49.5 | 0 | 0 | 0 | 0 | 110.4 | K251 L255 | K251-T253 PolarHBondContact O-N 2.86Å; T253-L255 PolarHBondContact O-N 2.88Å | ||
| 254 | G | 43 | Very low | 51.7 | Low | 61 Ų | 61 | 140 Ų | 140 | 63% | 0.629 | 73% | 0.73 | S | S | * | * | trans | -54 | 131.7 | 153.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | N252 R256 | N252-G254 PolarHBondContact O-N 3.29Å; G254-R256 PolarHBondContact O-N 2.81Å | ||
| 255 | L | 41.1 | Very low | 54 | Low | 172 Ų | 172 | 134.5 Ų | 134.5 | 90% | 0.901 | 71% | 0.709 | S | S | * | * | trans | -50.1 | 111.6 | -172.7 | -67.9 | 165.7 | 0 | 0 | 0 | 110.4 | T253 R257 | T253-L255 PolarHBondContact O-N 2.88Å; L255-R257 VanDerWaalsContact C-N 3.27Å; L255-R257 PolarHBondContact O-N 3.04Å | ||
| 256 | R | 45.8 | Very low | 56.1 | Low | 246 Ų | 246 | 132.8 Ų | 132.8 | 93% | 0.928 | 69% | 0.685 | S | S | * | * | trans | -65 | 95.1 | 167.6 | -70.9 | -146.8 | -62.6 | 177.1 | -0.9 | 107.4 | G254 L258 | G254-R256 PolarHBondContact O-N 2.81Å; R256-L258 PolarHBondContact O-N 2.78Å | ||
| 257 | R | 55.3 | Low | 58 | Low | 188 Ų | 188 | 128.2 Ų | 128.2 | 71% | 0.709 | 67% | 0.667 | S | S | * | * | trans | -47 | 129.4 | 155.7 | -78.6 | -170.8 | 175 | -169.7 | -1.1 | 106.3 | L255 | L255-R257 VanDerWaalsContact C-N 3.27Å; L255-R257 PolarHBondContact O-N 3.04Å | ||
| 258 | L | 68.4 | Low | 60 | Low | 153 Ų | 153 | 123.2 Ų | 123.2 | 80% | 0.801 | 64% | 0.636 | S | S | * | * | trans | -51.7 | 139.6 | 157.4 | -66.8 | 168.3 | 0 | 0 | 0 | 106.8 | R256 L260 | R256-L258 PolarHBondContact O-N 2.78Å; L258-L260 PolarHBondContact O-N 3.17Å | ||
| 259 | P | 72 | Confident | 61.8 | Low | 121 Ų | 121 | 120.5 Ų | 120.5 | 79% | 0.786 | 62% | 0.616 | S | S | * | * | trans | -56.5 | 113.5 | 176.5 | 24.2 | -32.6 | 0 | 0 | 0 | 107.4 | T261 | P259-T261 PolarHBondContact O-N 3.25Š| ||
| 260 | L | 76.8 | Confident | 64.1 | Low | 60 Ų | 60 | 120.5 Ų | 120.5 | 31% | 0.314 | 61% | 0.609 | S | S | . | * | trans | -52.5 | 130.3 | 179.2 | -71.7 | 167.9 | 0 | 0 | 0 | 107.4 | L258 E264 V268 | L258-L260 PolarHBondContact O-N 3.17Å; L260-E264 HydrophobicContact CB-CB 4.18Å; L260-E264 HydrophobicContact CD2-CB 3.94Å; L260-V268 HydrophobicContact CD1-CG2 4.28Å | ||
| 261 | T | 81.3 | Confident | 66.3 | Low | 65 Ų | 65 | 120.6 Ų | 120.6 | 40% | 0.399 | 61% | 0.614 | S | S | . | * | trans | -54.9 | 151.9 | 173.9 | 58.8 | 0 | 0 | 0 | 0 | 109.1 | P259 W263 E264 S265 | P259-T261 PolarHBondContact O-N 3.25Å; T261-W263 PolarHBondContact O-N 3.16Å; T261-E264 VanDerWaalsContact CB-OE2 3.3Å; T261-E264 WeakPolarHBondContact CB-OE2 3.13Å; T261-E264 VanDerWaalsContact CG2-OE2 3.32Å; T261-E264 WeakPolarHBondContact CG2-OE2 3.46Å; T261-E264 PolarHBondContact N-OE2 3.4Å; T261-E264 PolarHBondContact O-N 2.88Å; T261-E264 VanDerWaalsContact OG1-CD 3.31Å; T261-E264 VanDerWaalsContact OG1-CG 3.25Å; T261-E264 WeakPolarHBondContact OG1-CG 3.48Å; T261-E264 PolarHBondContact OG1-N 2.84Å; T261-E264 PolarHBondContact OG1-OE2 2.97Å; T261-S265 WeakPolarHBondContact O-CB 3.31Å; T261-S265 PolarHBondContact O-N 2.88Å | ||
| 262 | P | 77.6 | Confident | 68.1 | Low | 121 Ų | 121 | 119 Ų | 119 | 79% | 0.786 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -52.5 | -28.5 | 178.7 | -29 | 36.2 | 0 | 0 | 0 | 113.2 | S266 | P262-S266 VanDerWaalsContact O-CB 3.32Å; P262-S266 WeakPolarHBondContact O-CB 3.36Å; P262-S266 PolarHBondContact O-N 3.24Å |
| 263 | W | 74 | Confident | 69.8 | Low | 181 Ų | 181 | 118.1 Ų | 118.1 | 69% | 0.686 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -72 | -51.2 | 172.8 | -176.7 | 72.8 | 0 | 0 | 0 | 113.6 | T261 S265 S266 M267 | T261-W263 PolarHBondContact O-N 3.16Å; W263-S265 VanDerWaalsContact C-N 3.3Å; W263-S265 PolarHBondContact O-N 3.19Å; W263-S266 CarbonylContact O-C 3.59Å; W263-S266 WeakPolarHBondContact O-CA 3.48Å; W263-S266 WeakPolarHBondContact O-CB 3.44Å; W263-S266 PolarHBondContact O-N 3.13Å; W263-S266 VanDerWaalsContact O-N 3.13Å; W263-M267 HydrophobicContact CD2-CE 4.21Å; W263-M267 HydrophobicContact CD2-SD 4.39Å; W263-M267 HydrophobicContact CE3-CE 3.74Å; W263-M267 HydrophobicContact CE3-SD 4.46Å; W263-M267 HydrophobicContact CH2-CE 3.42Å; W263-M267 VanDerWaalsContact CH2-CE 3.42Å; W263-M267 HydrophobicContact CH2-SD 3.59Å; W263-M267 VanDerWaalsContact CH2-SD 3.59Å; W263-M267 HydrophobicContact CZ2-CE 3.9Å; W263-M267 HydrophobicContact CZ2-CG 4.39Å; W263-M267 HydrophobicContact CZ2-SD 3.48Å; W263-M267 WeakPolarHBondContact CZ2-SD 3.4Å; W263-M267 HydrophobicContact CZ3-CE 3.32Å; W263-M267 HydrophobicContact CZ3-SD 4.09Å; W263-M267 PolarHBondContact O-N 3.13Å |
| 264 | E | 86.1 | Confident | 71.1 | Confident | 76 Ų | 76 | 116.2 Ų | 116.2 | 36% | 0.355 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.4 | -39.6 | 176.1 | -68.8 | 162.6 | 120.9 | 0 | 0 | 111.9 | L260 T261 S266 M267 V268 | L260-E264 HydrophobicContact CB-CB 4.18Å; L260-E264 HydrophobicContact CD2-CB 3.94Å; T261-E264 VanDerWaalsContact CB-OE2 3.3Å; T261-E264 WeakPolarHBondContact CB-OE2 3.13Å; T261-E264 VanDerWaalsContact CG2-OE2 3.32Å; T261-E264 WeakPolarHBondContact CG2-OE2 3.46Å; T261-E264 PolarHBondContact N-OE2 3.4Å; T261-E264 PolarHBondContact O-N 2.88Å; T261-E264 VanDerWaalsContact OG1-CD 3.31Å; T261-E264 VanDerWaalsContact OG1-CG 3.25Å; T261-E264 WeakPolarHBondContact OG1-CG 3.48Å; T261-E264 PolarHBondContact OG1-N 2.84Å; T261-E264 PolarHBondContact OG1-OE2 2.97Å; E264-S266 VanDerWaalsContact C-N 3.34Å; E264-M267 HydrophobicContact CG-CE 4.44Å; E264-M267 PolarHBondContact O-N 3.22Å; E264-V268 WeakPolarHBondContact O-CG2 3.4Å; E264-V268 PolarHBondContact O-N 3.26Å |
| 265 | S | 82.6 | Confident | 72.3 | Confident | 47 Ų | 47 | 117 Ų | 117 | 33% | 0.329 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.9 | -38.1 | 174.8 | -159.4 | 0 | 0 | 0 | 0 | 111.4 | T261 W263 V268 N269 | T261-S265 WeakPolarHBondContact O-CB 3.31Å; T261-S265 PolarHBondContact O-N 2.88Å; W263-S265 VanDerWaalsContact C-N 3.3Å; W263-S265 PolarHBondContact O-N 3.19Å; S265-V268 PolarHBondContact O-N 2.76Å; S265-N269 WeakPolarHBondContact O-CB 3.3Å; S265-N269 PolarHBondContact O-N 3.09Å |
| 266 | S | 79.5 | Confident | 72.8 | Confident | 42 Ų | 42 | 116.5 Ų | 116.5 | 29% | 0.294 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.9 | -39.3 | 170.2 | -167.6 | 0 | 0 | 0 | 0 | 112.3 | P262 W263 E264 R270 | P262-S266 VanDerWaalsContact O-CB 3.32Å; P262-S266 WeakPolarHBondContact O-CB 3.36Å; P262-S266 PolarHBondContact O-N 3.24Å; W263-S266 CarbonylContact O-C 3.59Å; W263-S266 WeakPolarHBondContact O-CA 3.48Å; W263-S266 WeakPolarHBondContact O-CB 3.44Å; W263-S266 PolarHBondContact O-N 3.13Å; W263-S266 VanDerWaalsContact O-N 3.13Å; E264-S266 VanDerWaalsContact C-N 3.34Å; S266-R270 WeakPolarHBondContact O-CB 3.26Å; S266-R270 WeakPolarHBondContact O-CD 3.24Å; S266-R270 WeakPolarHBondContact O-CG 3.31Å; S266-R270 PolarHBondContact O-N 2.84Å; S266-R270 PolarHBondContact OG-NE 3.5Å; S266-R270 VanDerWaalsContact OG-NE 3.15Å |
| 267 | M | 79.6 | Confident | 73.4 | Confident | 83 Ų | 83 | 108.4 Ų | 108.4 | 41% | 0.409 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.6 | -45.3 | 175.1 | -69.5 | -159.4 | -61.2 | 0 | 0 | 112.2 | W263 E264 N269 R270 L271 | W263-M267 HydrophobicContact CD2-CE 4.21Å; W263-M267 HydrophobicContact CD2-SD 4.39Å; W263-M267 HydrophobicContact CE3-CE 3.74Å; W263-M267 HydrophobicContact CE3-SD 4.46Å; W263-M267 HydrophobicContact CH2-CE 3.42Å; W263-M267 VanDerWaalsContact CH2-CE 3.42Å; W263-M267 HydrophobicContact CH2-SD 3.59Å; W263-M267 VanDerWaalsContact CH2-SD 3.59Å; W263-M267 HydrophobicContact CZ2-CE 3.9Å; W263-M267 HydrophobicContact CZ2-CG 4.39Å; W263-M267 HydrophobicContact CZ2-SD 3.48Å; W263-M267 WeakPolarHBondContact CZ2-SD 3.4Å; W263-M267 HydrophobicContact CZ3-CE 3.32Å; W263-M267 HydrophobicContact CZ3-SD 4.09Å; W263-M267 PolarHBondContact O-N 3.13Å; E264-M267 HydrophobicContact CG-CE 4.44Å; E264-M267 PolarHBondContact O-N 3.22Å; M267-N269 PolarHBondContact O-N 2.92Å; M267-R270 PolarHBondContact O-N 3.27Å; M267-L271 VanDerWaalsContact O-CB 3.31Å; M267-L271 WeakPolarHBondContact O-CB 3.18Å; M267-L271 PolarHBondContact O-N 3.44Å |
| 268 | V | 83.3 | Confident | 73.7 | Confident | 43 Ų | 43 | 107.6 Ų | 107.6 | 26% | 0.261 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60 | -45.9 | 176.3 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | L260 E264 S265 L271 Q272 | L260-V268 HydrophobicContact CD1-CG2 4.28Å; E264-V268 WeakPolarHBondContact O-CG2 3.4Å; E264-V268 PolarHBondContact O-N 3.26Å; S265-V268 PolarHBondContact O-N 2.76Å; V268-L271 PolarHBondContact O-N 2.89Å; V268-Q272 HydrophobicContact CG1-CG 4.31Å; V268-Q272 WeakPolarHBondContact O-CB 3.37Å; V268-Q272 WeakPolarHBondContact O-CG 3.47Å; V268-Q272 PolarHBondContact O-N 3.42Å |
| 269 | N | 76.8 | Confident | 73.4 | Confident | 86 Ų | 86 | 104.9 Ų | 104.9 | 46% | 0.46 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 176.6 | -73.9 | -6.6 | 0 | 0 | 0 | 112.5 | S265 M267 L271 Q272 Q273 | S265-N269 WeakPolarHBondContact O-CB 3.3Å; S265-N269 PolarHBondContact O-N 3.09Å; M267-N269 PolarHBondContact O-N 2.92Å; N269-L271 PolarHBondContact O-N 2.86Å; N269-Q272 PolarHBondContact O-N 2.84Å; N269-Q273 VanDerWaalsContact O-CB 3.31Å; N269-Q273 WeakPolarHBondContact O-CB 3.25Å; N269-Q273 VanDerWaalsContact O-CG 3.26Å; N269-Q273 WeakPolarHBondContact O-CG 3.36Å; N269-Q273 PolarHBondContact O-N 3.3Å |
| 270 | R | 78.4 | Confident | 72.6 | Confident | 170 Ų | 170 | 101.8 Ų | 101.8 | 64% | 0.642 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.3 | -26.3 | 174.9 | -73.3 | 165.3 | -169.9 | -108.9 | 3.5 | 113.4 | S266 M267 | S266-R270 WeakPolarHBondContact O-CB 3.26Å; S266-R270 WeakPolarHBondContact O-CD 3.24Å; S266-R270 WeakPolarHBondContact O-CG 3.31Å; S266-R270 PolarHBondContact O-N 2.84Å; S266-R270 PolarHBondContact OG-NE 3.5Å; S266-R270 VanDerWaalsContact OG-NE 3.15Å; M267-R270 PolarHBondContact O-N 3.27Å |
| 271 | L | 76.8 | Confident | 71.7 | Confident | 156 Ų | 156 | 109.1 Ų | 109.1 | 82% | 0.817 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -91.2 | -26.4 | -179.8 | -162.8 | 69 | 0 | 0 | 0 | 112.6 | M267 V268 N269 | M267-L271 VanDerWaalsContact O-CB 3.31Å; M267-L271 WeakPolarHBondContact O-CB 3.18Å; M267-L271 PolarHBondContact O-N 3.44Å; V268-L271 PolarHBondContact O-N 2.89Å; N269-L271 PolarHBondContact O-N 2.86Å |
| 272 | Q | 76.1 | Confident | 70.3 | Confident | 146 Ų | 146 | 108.9 Ų | 108.9 | 68% | 0.682 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -87.6 | -24.3 | 174.1 | -71.5 | -175.8 | -30.3 | 0 | 0 | 113.2 | V268 N269 | V268-Q272 HydrophobicContact CG1-CG 4.31Å; V268-Q272 WeakPolarHBondContact O-CB 3.37Å; V268-Q272 WeakPolarHBondContact O-CG 3.47Å; V268-Q272 PolarHBondContact O-N 3.42Å; N269-Q272 PolarHBondContact O-N 2.84Å |
| 273 | Q | 73.5 | Confident | 69.2 | Low | 131 Ų | 131 | 113.1 Ų | 113.1 | 61% | 0.612 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -69.1 | 129.2 | 168.7 | -78.7 | 177.5 | -18.7 | 0 | 0 | 110.4 | N269 T275 | N269-Q273 VanDerWaalsContact O-CB 3.31Å; N269-Q273 WeakPolarHBondContact O-CB 3.25Å; N269-Q273 VanDerWaalsContact O-CG 3.26Å; N269-Q273 WeakPolarHBondContact O-CG 3.36Å; N269-Q273 PolarHBondContact O-N 3.3Å; Q273-T275 PolarHBondContact O-N 2.85Å |
| 274 | P | 64.4 | Low | 67.9 | Low | 92 Ų | 92 | 109.5 Ų | 109.5 | 60% | 0.597 | 55% | 0.552 | S | S | * | * | trans | -62 | 100.2 | 174.2 | -23.7 | 34.9 | 0 | 0 | 0 | 111.1 | Y278 | P274-Y278 HydrophobicContact CB-CD1 4.47Š| ||
| 275 | T | 68.6 | Low | 66.1 | Low | 77 Ų | 77 | 109.7 Ų | 109.7 | 47% | 0.472 | 57% | 0.566 | S | S | . | * | trans | -63.3 | 153.1 | 176 | 45.7 | 0 | 0 | 0 | 0 | 110.8 | Q273 S277 Y278 L279 | Q273-T275 PolarHBondContact O-N 2.85Å; T275-S277 PolarHBondContact O-N 2.95Å; T275-S277 PolarHBondContact OG1-OG 3.31Å; T275-Y278 WeakPolarHBondContact O-CB 3.49Å; T275-Y278 PolarHBondContact O-N 3.5Å; T275-L279 PolarHBondContact O-N 3.46Å | ||
| 276 | H | 52.6 | Low | 64.2 | Low | 163 Ų | 163 | 115.6 Ų | 115.6 | 76% | 0.755 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -56.8 | -22.2 | -175.5 | -166.2 | -53.7 | 0 | 0 | 0 | 113.3 | A280 | H276-A280 WeakPolarHBondContact O-CB 3.44Å; H276-A280 PolarHBondContact O-N 3.39Å |
| 277 | S | 58.7 | Low | 62.8 | Low | 76 Ų | 76 | 118.8 Ų | 118.8 | 53% | 0.531 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -69.6 | -33 | 172.3 | 50 | 0 | 0 | 0 | 0 | 113.8 | T275 R281 | T275-S277 PolarHBondContact O-N 2.95Å; T275-S277 PolarHBondContact OG1-OG 3.31Å; S277-R281 PolarHBondContact O-N 2.89Å; S277-R281 VanDerWaalsContact O-N 3.13Å |
| 278 | Y | 60.6 | Low | 61 | Low | 171 Ų | 171 | 122.7 Ų | 122.7 | 67% | 0.671 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -70.8 | -45.4 | 175 | -163.3 | -95.9 | 0 | 0 | 0 | 110.6 | P274 T275 R281 S282 | P274-Y278 HydrophobicContact CB-CD1 4.47Å; T275-Y278 WeakPolarHBondContact O-CB 3.49Å; T275-Y278 PolarHBondContact O-N 3.5Å; Y278-R281 PolarHBondContact O-N 3.45Å; Y278-S282 PolarHBondContact O-N 3.03Å; Y278-S282 PolarHBondContact O-OG 3.43Å |
| 279 | L | 61.3 | Low | 58.8 | Low | 96 Ų | 96 | 126.5 Ų | 126.5 | 50% | 0.503 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -63.3 | -38.8 | 172.3 | -85.1 | 159.6 | 0 | 0 | 0 | 113 | T275 R281 S282 R283 | T275-L279 PolarHBondContact O-N 3.46Å; L279-R281 VanDerWaalsContact C-N 3.32Å; L279-R281 PolarHBondContact O-N 2.79Å; L279-S282 PolarHBondContact O-OG 3.27Å; L279-R283 PolarHBondContact O-N 2.67Å |
| 280 | A | 55.8 | Low | 57.2 | Low | 55 Ų | 55 | 125.1 Ų | 125.1 | 46% | 0.455 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -66.4 | -33 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | H276 | H276-A280 WeakPolarHBondContact O-CB 3.44Å; H276-A280 PolarHBondContact O-N 3.39Å |
| 281 | R | 58.3 | Low | 55.6 | Low | 215 Ų | 215 | 126 Ų | 126 | 81% | 0.811 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -80.5 | -34.7 | 175.8 | -79.6 | -177.2 | 167.9 | 174 | -3.2 | 113.6 | S277 Y278 L279 R283 S284 | S277-R281 PolarHBondContact O-N 2.89Å; S277-R281 VanDerWaalsContact O-N 3.13Å; Y278-R281 PolarHBondContact O-N 3.45Å; L279-R281 VanDerWaalsContact C-N 3.32Å; L279-R281 PolarHBondContact O-N 2.79Å; R281-R283 VanDerWaalsContact C-N 3.35Å; R281-R283 PolarHBondContact O-N 3.21Å; R281-S284 PolarHBondContact O-N 3.45Å |
| 282 | S | 51.6 | Low | 53.7 | Low | 59 Ų | 59 | 127.4 Ų | 127.4 | 41% | 0.413 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -68.4 | -31.6 | -179 | 64.6 | 0 | 0 | 0 | 0 | 113.3 | Y278 L279 S284 A285 | Y278-S282 PolarHBondContact O-N 3.03Å; Y278-S282 PolarHBondContact O-OG 3.43Å; L279-S282 PolarHBondContact O-OG 3.27Å; S282-S284 VanDerWaalsContact C-N 3.27Å; S282-S284 PolarHBondContact O-N 3.07Å; S282-A285 PolarHBondContact O-N 3.46Å |
| 283 | R | 55.4 | Low | 52.2 | Low | 211 Ų | 211 | 126.5 Ų | 126.5 | 80% | 0.796 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -71.3 | -15 | 178.5 | -64.9 | -159 | 75.7 | 176.5 | 4 | 114.8 | L279 R281 A285 | L279-R283 PolarHBondContact O-N 2.67Å; R281-R283 VanDerWaalsContact C-N 3.35Å; R281-R283 PolarHBondContact O-N 3.21Å; R283-A285 VanDerWaalsContact C-N 3.3Å |
| 284 | S | 46 | Very low | 50.4 | Low | 105 Ų | 105 | 126.3 Ų | 126.3 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -81.5 | -4.1 | 175.4 | -58.6 | 0 | 0 | 0 | 0 | 114.3 | R281 S282 | R281-S284 PolarHBondContact O-N 3.45Å; S282-S284 VanDerWaalsContact C-N 3.27Å; S282-S284 PolarHBondContact O-N 3.07Å |
| 285 | A | 48.5 | Very low | 49.1 | Very low | 79 Ų | 79 | 126.6 Ų | 126.6 | 65% | 0.653 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -100 | -10.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | S282 R283 | S282-A285 PolarHBondContact O-N 3.46Å; R283-A285 VanDerWaalsContact C-N 3.3Å |
| 286 | M | 43.5 | Very low | 47.6 | Very low | 171 Ų | 171 | 127.5 Ų | 127.5 | 84% | 0.842 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -102.8 | 47.7 | -176.5 | -66.8 | -153.5 | 74.2 | 0 | 0 | 113.3 | ||
| 287 | S | 48.1 | Very low | 46.8 | Very low | 110 Ų | 110 | 127.8 Ų | 127.8 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -149.3 | 31.5 | 175.1 | -61 | 0 | 0 | 0 | 0 | 113.2 | ||
| 288 | L | 42.7 | Very low | 46.1 | Very low | 165 Ų | 165 | 130.3 Ų | 130.3 | 86% | 0.864 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -138.3 | 124.7 | 166.7 | -74.5 | 178 | 0 | 0 | 0 | 110.1 | ||
| 289 | S | 37.4 | Very low | 45 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | trans | 53.9 | 131.7 | 167.8 | -142.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 290 | G | 43.7 | Very low | 43.7 | Very low | 57 Ų | 57 | 129.5 Ų | 129.5 | 59% | 0.588 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -72.4 | 175.8 | 147.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 291 | E | 43.5 | Very low | 42.9 | Very low | 190 Ų | 190 | 131.7 Ų | 131.7 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | trans | 54.5 | 74.5 | 174.2 | -59 | -163.5 | 161.8 | 0 | 0 | 116.6 | ||||
| 292 | Q | 36.5 | Very low | 41.8 | Very low | 184 Ų | 184 | 128 Ų | 128 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | -164.8 | 127.3 | 111.6 | -104.4 | 164.2 | 36.9 | 0 | 0 | 112 | V294 | Q292-V294 HydrophobicContact CB-CG2 4.46Š| |||
| 293 | S | 45.7 | Very low | 41 | Very low | 128 Ų | 128 | 130.5 Ų | 130.5 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | trans | -82.7 | 112.7 | 169.4 | 37.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 294 | V | 34.8 | Very low | 39.9 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | -124.5 | 128.2 | 172.2 | -164 | 0 | 0 | 0 | 0 | 109.1 | Q292 | Q292-V294 HydrophobicContact CB-CG2 4.46Š| ||
| 295 | S | 37.7 | Very low | 39.6 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | trans | -64 | 153.6 | -173.8 | -173 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 296 | C | 36.5 | Very low | 39 | Very low | 96 Ų | 96 | 135.4 Ų | 135.4 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | trans | -64.9 | 154.6 | 160.3 | 62.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 297 | H | 36.5 | Very low | 38.7 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 79% | 0.787 | 80% | 0.796 | S | S | * | * | trans | 169.2 | 121.3 | 138.7 | -82.2 | -0.9 | 0 | 0 | 0 | 109.9 | ||||
| 298 | P | 43.4 | Very low | 38.2 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | trans | -105.5 | 111 | 172.7 | 34.3 | -25.4 | 0 | 0 | 0 | 111.8 | ||||
| 299 | M | 38.9 | Very low | 37.8 | Very low | 183 Ų | 183 | 134.9 Ų | 134.9 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | trans | -138.6 | 151 | 174.2 | -88.6 | -112 | 61.1 | 0 | 0 | 113.3 | ||||
| 300 | G | 33.2 | Very low | 37.6 | Very low | 67 Ų | 67 | 137.6 Ų | 137.6 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | trans | -61.3 | 162.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 301 | A | 38.3 | Very low | 37 | Very low | 102 Ų | 102 | 141.7 Ų | 141.7 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | -83.2 | 141.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 302 | V | 35.3 | Very low | 36.6 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -152.9 | 155.3 | 155.9 | -89.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 303 | S | 34.3 | Very low | 37.6 | Very low | 113 Ų | 113 | 136 Ų | 136 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | 56.5 | 108.2 | 156.6 | 54.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 304 | F | 33.4 | Very low | 36.8 | Very low | 189 Ų | 189 | 137.9 Ų | 137.9 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | trans | -37.7 | 151.8 | 154 | -110.6 | -107.4 | 0 | 0 | 0 | 118.5 | ||||
| 305 | K | 38.7 | Very low | 36.4 | Very low | 179 Ų | 179 | 136.5 Ų | 136.5 | 78% | 0.778 | 78% | 0.784 | S | S | * | * | trans | 71.1 | 149.3 | 167 | -50.3 | -169.6 | -174.8 | -176 | 0 | 114.6 | ||||
| 306 | T | 36.8 | Very low | 36 | Very low | 129 Ų | 129 | 143.3 Ų | 143.3 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | cis | -139.6 | 170.1 | 25.2 | -55.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 307 | L | 36.2 | Very low | 35.7 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | -53.9 | 152.5 | 169.3 | -60.3 | 151 | 0 | 0 | 0 | 112.5 | ||||
| 308 | Q | 38.3 | Very low | 35.7 | Very low | 185 Ų | 185 | 144.3 Ų | 144.3 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | 168 | 142.6 | 99.8 | -173.3 | 159.6 | 16.6 | 0 | 0 | 113.8 | |||||
| 309 | A | 33.7 | Very low | 35.1 | Very low | 90 Ų | 90 | 144.3 Ų | 144.3 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | trans | 53.7 | 122.4 | 158.1 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 310 | Q | 34.4 | Very low | 35.1 | Very low | 178 Ų | 178 | 147.3 Ų | 147.3 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -61 | 152.1 | 146.7 | -63.5 | -162.9 | 30.1 | 0 | 0 | 112.3 | ||||
| 311 | V | 30.2 | Very low | 35.2 | Very low | 143 Ų | 143 | 150 Ų | 150 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | -147.4 | 123.3 | 134.6 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 312 | L | 36.1 | Very low | 35.3 | Very low | 148 Ų | 148 | 151.9 Ų | 151.9 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | trans | -101 | 160 | 154.4 | -144.7 | 65.2 | 0 | 0 | 0 | 105.4 | ||||
| 313 | P | 56.3 | Low | 35.1 | Very low | 108 Ų | 108 | 151 Ų | 151 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | cis | -154.4 | -166.9 | 26 | 37.7 | -11.7 | 0 | 0 | 0 | 118.3 | ||||
| 314 | H | 29.4 | Very low | 35.1 | Very low | 166 Ų | 166 | 154 Ų | 154 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | 111.9 | 107.2 | 131.4 | -145.8 | 71.5 | 0 | 0 | 0 | 120.4 | ||||
| 315 | C | 27.3 | Very low | 35 | Very low | 98 Ų | 98 | 150.6 Ų | 150.6 | 66% | 0.662 | 77% | 0.769 | S | S | * | * | trans | 39.2 | 133.4 | 141.2 | -61.3 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 316 | R | 29.5 | Very low | 34.7 | Very low | 241 Ų | 241 | 149.9 Ų | 149.9 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | -160.2 | 150.6 | 101.9 | -114.5 | 175.7 | 174.4 | 165 | -1.7 | 116.2 | |||||
| 317 | S | 30.1 | Very low | 34.4 | Very low | 93 Ų | 93 | 148.2 Ų | 148.2 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | trans | -34.6 | 149.9 | 168.4 | 52.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 318 | Q | 35.1 | Very low | 34.5 | Very low | 194 Ų | 194 | 146.1 Ų | 146.1 | 91% | 0.907 | 76% | 0.763 | S | S | * | * | -157.5 | 153.7 | 111.9 | -126 | 177.4 | 6.8 | 0 | 0 | 113.9 | |||||
| 319 | D | 31.3 | Very low | 35.3 | Very low | 128 Ų | 128 | 142.9 Ų | 142.9 | 68% | 0.684 | 76% | 0.758 | S | S | * | * | trans | -91.4 | 149.9 | -172.1 | -53.9 | -106.2 | 0 | 0 | 0 | 114.6 | ||||
| 320 | R | 38.3 | Very low | 35.3 | Very low | 245 Ų | 245 | 142.9 Ų | 142.9 | 93% | 0.925 | 76% | 0.758 | S | S | * | * | -169.3 | 103.2 | 121.9 | -108.1 | 173.3 | 179.6 | -167.1 | -1.5 | 115.7 | |||||
| 321 | N | 35.5 | Very low | 35.4 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 66% | 0.663 | 76% | 0.757 | S | S | * | * | -11 | 148.5 | 123.9 | -72.6 | -58.5 | 0 | 0 | 0 | 116.1 | |||||
| 322 | L | 40.3 | Very low | 35.5 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | cis | -168.2 | 146.4 | 15.5 | -119.5 | 163.2 | 0 | 0 | 0 | 111.5 | ||||
| 323 | S | 32.8 | Very low | 35.4 | Very low | 116 Ų | 116 | 135 Ų | 135 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | trans | 175.2 | 97.8 | 140.1 | -167.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 324 | R | 34.2 | Very low | 34.5 | Very low | 176 Ų | 176 | 135.3 Ų | 135.3 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | 84.4 | 93.2 | 67.8 | -174.7 | 170.5 | -78.9 | -94.7 | 8.2 | 114.4 | |||||
| 325 | E | 30.1 | Very low | 34.7 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 56% | 0.556 | 76% | 0.757 | S | S | * | * | trans | 65 | 159.4 | 138.9 | -65.5 | -177.7 | 131.7 | 0 | 0 | 120 | ||||
| 326 | K | 33.7 | Very low | 34.9 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | cis | -151.2 | 132.1 | -9.7 | -120 | 162.2 | 171.8 | 150.5 | 0 | 107 | ||||
| 327 | A | 29.5 | Very low | 35.2 | Very low | 94 Ų | 94 | 140.6 Ų | 140.6 | 78% | 0.777 | 75% | 0.752 | S | S | * | * | 75.4 | 141.6 | 92.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 328 | S | 37.8 | Very low | 35.7 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | trans | -87.5 | -157.4 | 174.2 | -37.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 329 | P | 56.2 | Low | 35.6 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | cis | -145.2 | -168.5 | 6 | 43.5 | -22.2 | 0 | 0 | 0 | 117.4 | ||||
| 330 | A | 33.3 | Very low | 35.8 | Very low | 90 Ų | 90 | 135.6 Ų | 135.6 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | trans | 69.3 | 172 | 143.5 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 331 | S | 36.1 | Very low | 35.5 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | cis | -174.2 | 132.4 | -49.2 | 63.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 332 | A | 33.1 | Very low | 35.4 | Very low | 97 Ų | 97 | 131.8 Ų | 131.8 | 80% | 0.802 | 75% | 0.749 | S | S | * | * | trans | -174.7 | 138.6 | 158.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 333 | A | 34.2 | Very low | 34.9 | Very low | 92 Ų | 92 | 132 Ų | 132 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | cis | 74.8 | 128.4 | 47.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 334 | T | 36 | Very low | 34.7 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | -170.9 | 131.4 | 50.2 | -62.5 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 335 | R | 33.8 | Very low | 34.5 | Very low | 227 Ų | 227 | 133.7 Ų | 133.7 | 86% | 0.857 | 75% | 0.746 | S | S | * | * | trans | 66.6 | 166.2 | 157 | -68.3 | 172.9 | -171.7 | -126.4 | -1 | 118 | ||||
| 336 | R | 33.3 | Very low | 34.5 | Very low | 193 Ų | 193 | 132.9 Ų | 132.9 | 73% | 0.728 | 75% | 0.745 | S | S | * | * | cis | -158.6 | 122.8 | 22.7 | -157.1 | -173.9 | -132.8 | -148.5 | 9.3 | 115.7 | ||||
| 337 | R | 35.7 | Very low | 34.6 | Very low | 197 Ų | 197 | 133.8 Ų | 133.8 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | trans | 61.6 | 158.4 | 155.3 | -85.1 | -173.3 | -97.8 | -151.5 | -4.5 | 118.6 | ||||
| 338 | T | 38.7 | Very low | 34.9 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | cis | -150.9 | 152.4 | 10.2 | -14.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 339 | T | 34.4 | Very low | 34.6 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 83% | 0.834 | 73% | 0.734 | S | S | * | * | trans | 24.8 | 141 | 150.5 | 49.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 340 | G | 34.4 | Very low | 33.4 | Very low | 64 Ų | 64 | 134 Ų | 134 | 66% | 0.66 | 73% | 0.729 | S | S | * | * | cis | 162.2 | 171 | -0.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 341 | T | 33.5 | Very low | 33.6 | Very low | 137 Ų | 137 | 139.5 Ų | 139.5 | 84% | 0.84 | 73% | 0.73 | S | S | * | * | trans | 49.1 | 97.2 | 154.8 | -18.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 342 | M | 32.2 | Very low | 33.8 | Very low | 151 Ų | 151 | 143.2 Ų | 143.2 | 74% | 0.744 | 73% | 0.732 | S | S | * | * | 79.2 | 141.4 | 75.8 | -74.7 | -104.6 | 69.9 | 0 | 0 | 117.2 | |||||
| 343 | Q | 30.1 | Very low | 33.8 | Very low | 148 Ų | 148 | 144 Ų | 144 | 69% | 0.692 | 73% | 0.732 | S | S | * | * | trans | 70.8 | 161.9 | 172.2 | -46.8 | -51.4 | -23.8 | 0 | 0 | 116.8 | ||||
| 344 | H | 28.8 | Very low | 33.8 | Very low | 159 Ų | 159 | 151.1 Ų | 151.1 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | cis | -173.2 | 162 | -45.1 | -156.5 | -73.4 | 0 | 0 | 0 | 107 | ||||
| 345 | K | 30.4 | Very low | 33.8 | Very low | 168 Ų | 168 | 150.6 Ų | 150.6 | 73% | 0.73 | 74% | 0.741 | S | S | * | * | trans | 87.8 | 115.2 | 142.1 | -159.1 | 145.3 | -177.4 | -177.3 | 0 | 121.8 | ||||
| 346 | D | 29.6 | Very low | 33.8 | Very low | 102 Ų | 102 | 146.8 Ų | 146.8 | 55% | 0.545 | 74% | 0.737 | S | S | . | * | trans | 86.5 | 154.8 | 136.1 | -102.9 | -57.5 | 0 | 0 | 0 | 124.9 | ||||
| 347 | R | 36 | Very low | 33.9 | Very low | 183 Ų | 183 | 144.8 Ų | 144.8 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | trans | 60.6 | 92.7 | 160.4 | -65.5 | -54.4 | 101.9 | 178.7 | 9.7 | 121 | ||||
| 348 | D | 36.1 | Very low | 33.8 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 60% | 0.604 | 74% | 0.741 | S | S | * | * | 55 | 116 | 108.3 | -58.3 | -1 | 0 | 0 | 0 | 121.9 | |||||
| 349 | S | 31.3 | Very low | 33.9 | Very low | 109 Ų | 109 | 143 Ų | 143 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | 116.3 | 130.5 | 115.3 | 75.9 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 350 | V | 31.5 | Very low | 34.5 | Very low | 108 Ų | 108 | 142.1 Ų | 142.1 | 66% | 0.655 | 75% | 0.745 | S | S | * | * | trans | 63.9 | 88.7 | 139.9 | 179.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 351 | R | 37.3 | Very low | 34.4 | Very low | 206 Ų | 206 | 147.4 Ų | 147.4 | 78% | 0.777 | 76% | 0.757 | S | S | * | * | -174.4 | 146.8 | 114.5 | -104.4 | 152 | -103.4 | -124.9 | -5.7 | 115.1 | |||||
| 352 | K | 39.2 | Very low | 34.6 | Very low | 192 Ų | 192 | 145.1 Ų | 145.1 | 84% | 0.835 | 75% | 0.752 | S | S | * | * | 18.4 | 144.1 | 126.5 | -49.8 | 176.8 | -171.7 | -175.9 | 0 | 117.2 | |||||
| 353 | S | 32.8 | Very low | 35.4 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | cis | -161.6 | -168 | 3.7 | -156.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 354 | W | 34.7 | Very low | 35.5 | Very low | 241 Ų | 241 | 142.4 Ų | 142.4 | 91% | 0.913 | 76% | 0.757 | S | S | * | * | trans | -75 | 171.9 | 177.8 | -59.7 | -45.4 | 0 | 0 | 0 | 116.1 | ||||
| 355 | S | 36.4 | Very low | 35.9 | Very low | 104 Ų | 104 | 142 Ų | 142 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | 80.2 | 132.3 | 165.4 | -46.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 356 | N | 33.4 | Very low | 36.1 | Very low | 147 Ų | 147 | 140 Ų | 140 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | cis | -147.4 | -177.9 | 38.1 | -79.9 | -69.5 | 0 | 0 | 0 | 115.2 | ||||
| 357 | L | 36.1 | Very low | 36.7 | Very low | 151 Ų | 151 | 142.8 Ų | 142.8 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | -44 | 159.5 | 176.2 | -68.1 | 52.4 | 0 | 0 | 0 | 114.5 | ||||
| 358 | S | 33.8 | Very low | 37.3 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | cis | -160.1 | 168.4 | 43.9 | -57.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 359 | L | 39.5 | Very low | 37.7 | Very low | 161 Ų | 161 | 140.2 Ų | 140.2 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -82.7 | 163.2 | 166.4 | -65.8 | 76 | 0 | 0 | 0 | 110.9 | ||||
| 360 | P | 47.8 | Very low | 37.8 | Very low | 116 Ų | 116 | 141.3 Ų | 141.3 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | -148.9 | 157.3 | 93 | 36.9 | -19.3 | 0 | 0 | 0 | 117.7 | |||||
| 361 | L | 31.4 | Very low | 38 | Very low | 175 Ų | 175 | 145.4 Ų | 145.4 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | trans | 67 | 143 | 157.5 | -95 | 60.2 | 0 | 0 | 0 | 121.2 | ||||
| 362 | A | 38.8 | Very low | 37.7 | Very low | 89 Ų | 89 | 141.3 Ų | 141.3 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | trans | -126.9 | 161.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 363 | P | 47.6 | Very low | 37.6 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | -151.6 | -179.5 | 100.5 | 37.4 | -19.2 | 0 | 0 | 0 | 115.2 | |||||
| 364 | V | 33.9 | Very low | 37.6 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | cis | -166.9 | 145.8 | -36.5 | 144.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 365 | L | 36.1 | Very low | 37.7 | Very low | 152 Ų | 152 | 134.4 Ų | 134.4 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | trans | 65.4 | 152.2 | 178.8 | -64.9 | 160.7 | 0 | 0 | 0 | 115.3 | ||||
| 366 | T | 35.7 | Very low | 37.6 | Very low | 125 Ų | 125 | 135 Ų | 135 | 77% | 0.767 | 80% | 0.8 | S | S | * | * | cis | -145.1 | 162.5 | 9 | -26.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 367 | L | 40.7 | Very low | 37.6 | Very low | 161 Ų | 161 | 131.1 Ų | 131.1 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | -83.8 | 152.4 | -178.6 | -69.1 | 83.3 | 0 | 0 | 0 | 114.9 | ||||
| 368 | P | 49.6 | Very low | 37.8 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | trans | -130.3 | 163.2 | 132.6 | 35.8 | -24.6 | 0 | 0 | 0 | 113.5 | ||||
| 369 | P | 45 | Very low | 37.9 | Very low | 123 Ų | 123 | 137.9 Ų | 137.9 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | trans | -95.5 | 154.7 | -161.5 | 36.1 | -36.7 | 0 | 0 | 0 | 115.9 | ||||
| 370 | N | 33.5 | Very low | 37.7 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | -140.9 | 104.5 | 165.1 | -119.7 | -32.7 | 0 | 0 | 0 | 112.7 | S372 | N370-S372 PolarHBondContact O-N 3.34Š| ||
| 371 | K | 34.4 | Very low | 36.8 | Very low | 195 Ų | 195 | 136.9 Ų | 136.9 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | 45 | 70 | 138.3 | -56.1 | 169.8 | -168.1 | 163.9 | 0 | 117.6 | ||||
| 372 | S | 31.7 | Very low | 36.8 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 145.8 | 153.2 | 46.8 | 0 | 0 | 0 | 0 | 110.8 | N370 | N370-S372 PolarHBondContact O-N 3.34Š|
| 373 | S | 36.8 | Very low | 36.5 | Very low | 115 Ų | 115 | 139 Ų | 139 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 147.2 | 176 | 44.6 | 0 | 0 | 0 | 0 | 111.8 | ||
| 374 | I | 33.5 | Very low | 35.8 | Very low | 169 Ų | 169 | 139.5 Ų | 139.5 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 130.3 | -177.5 | -62.9 | 165.1 | 0 | 0 | 0 | 110.8 | ||
| 375 | S | 35.4 | Very low | 36 | Very low | 119 Ų | 119 | 139 Ų | 139 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -151.7 | 99.1 | 164.6 | 150.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 376 | S | 34.8 | Very low | 36.5 | Very low | 118 Ų | 118 | 138 Ų | 138 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -162.1 | 144.7 | 154.3 | 63.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 377 | G | 34.2 | Very low | 36.1 | Very low | 65 Ų | 65 | 138.2 Ų | 138.2 | 67% | 0.67 | 81% | 0.813 | S | S | * | * | cis | 173.4 | 138.4 | -15.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 378 | K | 40.1 | Very low | 35.9 | Very low | 204 Ų | 204 | 135.5 Ų | 135.5 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | trans | 67.3 | 160.8 | 168.3 | -72.5 | 170.9 | 176.1 | 170.5 | 0 | 118.5 | ||||
| 379 | K | 36.3 | Very low | 35 | Very low | 197 Ų | 197 | 133.7 Ų | 133.7 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | trans | 59.3 | 138.4 | 156.4 | 55.9 | 179.6 | 171.1 | -180 | 0 | 119.3 | ||||
| 380 | S | 33.7 | Very low | 34.6 | Very low | 98 Ų | 98 | 137.6 Ų | 137.6 | 69% | 0.685 | 82% | 0.815 | S | S | * | * | cis | -173.1 | 152.9 | -13.7 | 48.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 381 | N | 30.3 | Very low | 35.1 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | trans | 31.3 | 120.5 | 151.5 | -55.5 | -13.6 | 0 | 0 | 0 | 120.9 | ||||
| 382 | K | 31.2 | Very low | 35.8 | Very low | 212 Ų | 212 | 132 Ų | 132 | 92% | 0.922 | 81% | 0.806 | S | S | * | * | 176.6 | 157.1 | 99.7 | -166.6 | 158.7 | -177.3 | 175 | 0 | 111.6 | |||||
| 383 | A | 32.3 | Very low | 36 | Very low | 96 Ų | 96 | 135.2 Ų | 135.2 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 160.3 | -165.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 384 | T | 32.8 | Very low | 36 | Very low | 133 Ų | 133 | 138.9 Ų | 138.9 | 82% | 0.816 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 140.4 | 170.4 | -47.3 | 0 | 0 | 0 | 0 | 110.5 | ||
| 385 | P | 36.9 | Very low | 36 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 157 | 172.9 | 32.9 | -35.7 | 0 | 0 | 0 | 112.8 | ||
| 386 | P | 48.1 | Very low | 35.9 | Very low | 130 Ų | 130 | 139 Ų | 139 | 84% | 0.844 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -81 | 160.6 | 177.1 | 34.3 | -35.7 | 0 | 0 | 0 | 112.8 | ||
| 387 | S | 27.7 | Very low | 35.6 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -130.4 | 150.1 | 168 | -172 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 388 | A | 36.1 | Very low | 35.5 | Very low | 104 Ų | 104 | 145.6 Ų | 145.6 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | -108.2 | 154.3 | -172 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 389 | G | 30.5 | Very low | 36.3 | Very low | 81 Ų | 81 | 140.3 Ų | 140.3 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -146.6 | 139.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 390 | R | 37.2 | Very low | 36.9 | Very low | 204 Ų | 204 | 136.2 Ų | 136.2 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | -129.6 | 155.6 | -164 | -165.7 | -165.5 | 176.3 | -165.4 | 3.1 | 111.2 | ||||
| 391 | P | 42.6 | Very low | 37.2 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | -130.6 | 167.1 | 127.5 | 10 | 12.1 | 0 | 0 | 0 | 114.4 | |||||
| 392 | P | 50.1 | Low | 37.9 | Very low | 86 Ų | 86 | 135.3 Ų | 135.3 | 56% | 0.558 | 80% | 0.797 | S | S | * | * | trans | -122.4 | 165.2 | -162.7 | 42 | -30.8 | 0 | 0 | 0 | 116.2 | ||||
| 393 | Q | 35.9 | Very low | 38.1 | Very low | 187 Ų | 187 | 134.2 Ų | 134.2 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -149.2 | 178.4 | 142 | -82.5 | -138.7 | -18.3 | 0 | 0 | 111.3 | ||||
| 394 | K | 35.6 | Very low | 38.1 | Very low | 192 Ų | 192 | 136.8 Ų | 136.8 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | -108.3 | 173.5 | -178.6 | -57.8 | 171.8 | -177.7 | 175.2 | 0 | 108.4 | ||||
| 395 | T | 34.4 | Very low | 38.2 | Very low | 115 Ų | 115 | 137.5 Ų | 137.5 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | cis | -171.3 | 159.7 | 46.2 | 44.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 396 | L | 32.6 | Very low | 38.1 | Very low | 175 Ų | 175 | 140.5 Ų | 140.5 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | trans | 56.4 | 146.6 | 150 | -90.7 | 72.1 | 0 | 0 | 0 | 121.3 | ||||
| 397 | G | 29.1 | Very low | 37.3 | Very low | 84 Ų | 84 | 138.9 Ų | 138.9 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | trans | 139.7 | 100.1 | 154.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 398 | R | 33 | Very low | 38.4 | Very low | 238 Ų | 238 | 138.6 Ų | 138.6 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | trans | -138.8 | 161.7 | 156.7 | -148.5 | -149.6 | 168.9 | -141.4 | -0.4 | 105 | ||||
| 399 | P | 56.8 | Low | 38 | Very low | 93 Ų | 93 | 139.3 Ų | 139.3 | 60% | 0.604 | 77% | 0.772 | S | S | * | * | cis | -130.9 | -138.1 | -1.2 | 45.5 | -25.6 | 0 | 0 | 0 | 110.2 | ||||
| 400 | P | 48 | Very low | 38.1 | Very low | 111 Ų | 111 | 141 Ų | 141 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | cis | -123.8 | -174.3 | -33.4 | 38 | -21.2 | 0 | 0 | 0 | 113.6 | ||||
| 401 | T | 39.8 | Very low | 37.8 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | trans | -88.6 | 160.1 | 167 | 51.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 402 | P | 45 | Very low | 37.7 | Very low | 106 Ų | 106 | 139.2 Ų | 139.2 | 69% | 0.688 | 77% | 0.77 | S | S | * | * | -159.1 | 138.7 | 116.7 | 35.3 | -14.2 | 0 | 0 | 0 | 120.4 | |||||
| 403 | K | 35.4 | Very low | 37.8 | Very low | 189 Ų | 189 | 140.6 Ų | 140.6 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | 74.4 | 161.5 | 129.8 | -64.6 | 176.9 | -180 | 179.1 | 0 | 124.5 | |||||
| 404 | L | 32.6 | Very low | 37.5 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | 76.8 | 148 | 164.5 | -54.3 | 122 | 0 | 0 | 0 | 116.4 | ||||
| 405 | L | 35.2 | Very low | 37.5 | Very low | 147 Ų | 147 | 133.2 Ų | 133.2 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | cis | -166.2 | 175.1 | -21.8 | -89.8 | 179.5 | 0 | 0 | 0 | 107.4 | ||||
| 406 | K | 34.6 | Very low | 37.6 | Very low | 173 Ų | 173 | 136.1 Ų | 136.1 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | cis | 179 | 132.1 | -47.1 | 168.2 | 137.5 | 159.4 | 168.2 | 0 | 111.7 | ||||
| 407 | S | 31.6 | Very low | 37.9 | Very low | 95 Ų | 95 | 138.3 Ų | 138.3 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | trans | 63.1 | 167.8 | 165.1 | 39.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 408 | P | 51 | Low | 38.5 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | cis | -96.2 | 165.2 | 1.6 | 9.1 | 14.3 | 0 | 0 | 0 | 113.7 | ||||
| 409 | V | 27.6 | Very low | 38.5 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | cis | 95.5 | 115.6 | 28.6 | 174.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 410 | S | 31.8 | Very low | 37.2 | Very low | 117 Ų | 117 | 142 Ų | 142 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -173.1 | 149.5 | 137.4 | -88.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 411 | D | 31.8 | Very low | 36.5 | Very low | 145 Ų | 145 | 143.3 Ų | 143.3 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | -87.6 | 160.2 | -167.7 | -48.5 | -91.4 | 0 | 0 | 0 | 112.9 | ||||
| 412 | D | 39.4 | Very low | 36.3 | Very low | 145 Ų | 145 | 143 Ų | 143 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | cis | 71.5 | 143.9 | 39.7 | -157.2 | 58.9 | 0 | 0 | 0 | 114.2 | ||||
| 413 | P | 53.1 | Low | 36 | Very low | 115 Ų | 115 | 144.1 Ų | 144.1 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | cis | -125.4 | 178.2 | -3.7 | 18.9 | 6.4 | 0 | 0 | 0 | 116.3 | ||||
| 414 | G | 29.2 | Very low | 35.7 | Very low | 80 Ų | 80 | 142.8 Ų | 142.8 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -169.2 | 116.3 | 164 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 415 | N | 34.8 | Very low | 35.6 | Very low | 145 Ų | 145 | 143 Ų | 143 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | trans | -134.6 | 116.5 | -169.5 | 170.7 | 29.1 | 0 | 0 | 0 | 113.2 | ||||
| 416 | L | 37.5 | Very low | 35.4 | Very low | 175 Ų | 175 | 141.2 Ų | 141.2 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | -145.4 | 146.3 | 168.4 | -72.6 | 178.2 | 0 | 0 | 0 | 112.1 | ||||
| 417 | R | 39.3 | Very low | 35.3 | Very low | 222 Ų | 222 | 141.7 Ų | 141.7 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -107.1 | 154.7 | 166.4 | -61.8 | 178.4 | 179.8 | 164.4 | -1.4 | 109.4 | ||||
| 418 | P | 42.3 | Very low | 35.5 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | -129.1 | 147.8 | 97.8 | 5.3 | 17.1 | 0 | 0 | 0 | 112.1 | |||||
| 419 | V | 31.4 | Very low | 34.5 | Very low | 134 Ų | 134 | 142.2 Ų | 142.2 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | 74.3 | 139.5 | 68.9 | -178.7 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 420 | R | 30.2 | Very low | 34.5 | Very low | 237 Ų | 237 | 143.1 Ų | 143.1 | 89% | 0.894 | 81% | 0.805 | S | S | * | * | trans | -121.2 | 123.4 | -160.5 | 169 | -162.5 | -172.5 | -176.2 | 4.9 | 110.8 | ||||
| 421 | V | 32.9 | Very low | 35.4 | Very low | 138 Ų | 138 | 142.8 Ų | 142.8 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | trans | -145.7 | 141.9 | 163.9 | -147.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 422 | T | 35.6 | Very low | 35 | Very low | 124 Ų | 124 | 142 Ų | 142 | 76% | 0.761 | 80% | 0.801 | S | S | * | * | trans | -92.1 | 155.6 | 167.6 | 44.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 423 | P | 38.8 | Very low | 34.5 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | -141.8 | -173.8 | 110.5 | 38.4 | -24.7 | 0 | 0 | 0 | 114.5 | |||||
| 424 | E | 28.4 | Very low | 33.6 | Very low | 161 Ų | 161 | 138.3 Ų | 138.3 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | -95.1 | 176.4 | -169.7 | -122.5 | -84.5 | 82.9 | 0 | 0 | 114 | ||||
| 425 | H | 30.5 | Very low | 34.3 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | trans | -12.5 | 136.1 | 166.7 | -98.6 | 81.5 | 0 | 0 | 0 | 119.9 | ||||
| 426 | S | 31.8 | Very low | 34.2 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | 173.3 | 161.7 | 106.9 | -77.1 | 0 | 0 | 0 | 0 | 113 | |||||
| 427 | Q | 32.1 | Very low | 33.8 | Very low | 183 Ų | 183 | 139.2 Ų | 139.2 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | trans | -110.3 | 149 | 173.8 | -64.2 | -152.7 | -7.9 | 0 | 0 | 112.6 | ||||
| 428 | P | 35.3 | Very low | 33.3 | Very low | 120 Ų | 120 | 137 Ų | 137 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -107 | 151.7 | 161.6 | 36 | -27.6 | 0 | 0 | 0 | 112.7 | ||||
| 429 | S | 30 | Very low | 32.6 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -156 | 130.6 | 167.7 | -71 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 430 | T | 27.8 | Very low | 32.6 | Very low | 138 Ų | 138 | 136.9 Ų | 136.9 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | trans | -155 | 167.3 | 177.6 | 53.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 431 | P | 50.5 | Low | 32.7 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | cis | -123 | 179.3 | 2.2 | 42.7 | -28 | 0 | 0 | 0 | 113.1 | ||||
| 432 | T | 24.3 | Very low | 32.7 | Very low | 129 Ų | 129 | 135.1 Ų | 135.1 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | -168.4 | 124 | 91.4 | -65.9 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 433 | A | 29.4 | Very low | 32.5 | Very low | 89 Ų | 89 | 137 Ų | 137 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | trans | 28.9 | 119.4 | 152.8 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 434 | A | 33.1 | Very low | 32 | Very low | 93 Ų | 93 | 139.3 Ų | 139.3 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | 79.1 | 154.7 | 124.1 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 435 | P | 44.5 | Very low | 32 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | cis | -143.6 | 145.1 | -38.9 | 37.1 | -19.7 | 0 | 0 | 0 | 117.9 | ||||
| 436 | K | 32.4 | Very low | 31.9 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 73% | 0.726 | 78% | 0.778 | S | S | * | * | trans | 63.1 | 159.8 | 140 | -56.8 | 179.7 | 89.4 | -133.7 | 0 | 123.9 | ||||
| 437 | E | 30.2 | Very low | 31.7 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 66% | 0.659 | 78% | 0.779 | S | S | * | * | trans | 73.4 | 144.8 | 157.9 | -39.8 | -163.3 | 173.1 | 0 | 0 | 117.4 | ||||
| 438 | E | 28 | Very low | 31.6 | Very low | 175 Ų | 175 | 141 Ų | 141 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | cis | -163.8 | 166.7 | -28.8 | -116.9 | 163.8 | -136.6 | 0 | 0 | 107.7 | ||||
| 439 | G | 28.2 | Very low | 31.2 | Very low | 75 Ų | 75 | 140.6 Ų | 140.6 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | 146.5 | 145.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 440 | E | 31.2 | Very low | 31.8 | Very low | 179 Ų | 179 | 140.5 Ų | 140.5 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | trans | -129.2 | 160.9 | -168.6 | -63 | 167.5 | 129.8 | 0 | 0 | 111.7 | ||||
| 441 | E | 32.4 | Very low | 32.2 | Very low | 172 Ų | 172 | 140 Ų | 140 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | 64.2 | 151.6 | 156.9 | -69.9 | 167.5 | -171.7 | 0 | 0 | 118.5 | ||||
| 442 | E | 31 | Very low | 31.3 | Very low | 166 Ų | 166 | 143.7 Ų | 143.7 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | cis | -154.4 | 171.4 | -9.6 | -135.4 | -177.9 | 176.4 | 0 | 0 | 112.8 | ||||
| 443 | E | 31.4 | Very low | 32 | Very low | 164 Ų | 164 | 143.6 Ų | 143.6 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | 67.8 | 156.8 | 151.7 | -112.4 | -166.9 | 165.7 | 0 | 0 | 126.8 | ||||
| 444 | E | 28.6 | Very low | 31.8 | Very low | 178 Ų | 178 | 150.8 Ų | 150.8 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | 69.9 | 159.8 | 154.3 | -76.2 | -104.5 | 96.7 | 0 | 0 | 123 | ||||
| 445 | G | 28.9 | Very low | 32.3 | Very low | 63 Ų | 63 | 152.1 Ų | 152.1 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | trans | 112 | 26.2 | 144.9 | 0 | 0 | 0 | 0 | 0 | 121.7 | I447 | G445-I447 PolarHBondContact O-N 3.33Å; G445-I447 VanDerWaalsContact O-N 3.1Å | ||
| 446 | K | 27.8 | Very low | 31.5 | Very low | 216 Ų | 216 | 155.6 Ų | 155.6 | 94% | 0.939 | 80% | 0.803 | S | S | * | * | trans | -75 | 99.3 | -179 | -173.1 | 177.1 | -179.7 | 176.6 | 0 | 114.3 | ||||
| 447 | I | 27.9 | Very low | 32 | Very low | 155 Ų | 155 | 153.8 Ų | 153.8 | 80% | 0.795 | 81% | 0.808 | S | S | * | * | trans | -128.4 | 118.3 | 168.8 | -56.3 | 179.6 | 0 | 0 | 0 | 111.6 | G445 | G445-I447 PolarHBondContact O-N 3.33Å; G445-I447 VanDerWaalsContact O-N 3.1Å | ||
| 448 | F | 30.2 | Very low | 32.1 | Very low | 208 Ų | 208 | 155.6 Ų | 155.6 | 91% | 0.912 | 82% | 0.821 | S | S | * | * | trans | -153.2 | 132.1 | 162.9 | -114.7 | -81.3 | 0 | 0 | 0 | 110.3 | ||||
| 449 | S | 27.9 | Very low | 32.2 | Very low | 112 Ų | 112 | 150.7 Ų | 150.7 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | trans | -173.5 | 161.4 | 176.6 | -83.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 450 | P | 42.8 | Very low | 32.3 | Very low | 109 Ų | 109 | 155.1 Ų | 155.1 | 71% | 0.708 | 82% | 0.818 | S | S | * | * | cis | -123.3 | -173.5 | -19.9 | 38.5 | -22.9 | 0 | 0 | 0 | 111.8 | ||||
| 451 | P | 35.6 | Very low | 32.4 | Very low | 127 Ų | 127 | 154.3 Ų | 154.3 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | -132.5 | 164.9 | 115 | 36.7 | -29.2 | 0 | 0 | 0 | 113.9 | |||||
| 452 | Q | 31.9 | Very low | 32.4 | Very low | 188 Ų | 188 | 152.8 Ų | 152.8 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | -74.7 | 146.5 | -168.9 | -65 | 176.3 | -65.5 | 0 | 0 | 114.6 | ||||
| 453 | P | 38.1 | Very low | 33.5 | Very low | 127 Ų | 127 | 150.4 Ų | 150.4 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | -88.2 | 165.8 | 176.8 | 36.1 | -36.1 | 0 | 0 | 0 | 114.1 | ||||
| 454 | R | 25.9 | Very low | 34.4 | Very low | 240 Ų | 240 | 148 Ų | 148 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | trans | -107.7 | 129.2 | 175.5 | -179.8 | -171.3 | -165.8 | 168.4 | 5.7 | 109.5 | ||||
| 455 | P | 42.9 | Very low | 34.5 | Very low | 121 Ų | 121 | 144.7 Ų | 144.7 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | trans | -80.9 | 145.3 | -176.4 | 31.2 | -34.7 | 0 | 0 | 0 | 113.5 | ||||
| 456 | Q | 28.7 | Very low | 34.7 | Very low | 185 Ų | 185 | 150.5 Ų | 150.5 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | trans | -131.4 | 145.2 | 153.7 | -73.5 | -171.1 | -17.8 | 0 | 0 | 108 | ||||
| 457 | P | 42.3 | Very low | 35 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | -85.6 | 149.1 | -176.2 | 34.1 | -34.5 | 0 | 0 | 0 | 112.5 | ||||
| 458 | L | 31.4 | Very low | 36.1 | Very low | 179 Ų | 179 | 142.7 Ų | 142.7 | 94% | 0.937 | 81% | 0.81 | S | S | * | * | trans | -125.4 | 144.3 | 164.3 | -155.6 | 74.6 | 0 | 0 | 0 | 108.8 | ||||
| 459 | G | 31.5 | Very low | 36.2 | Very low | 71 Ų | 71 | 137 Ų | 137 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | trans | -90.1 | 161 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 460 | E | 29.8 | Very low | 36.5 | Very low | 168 Ų | 168 | 139.9 Ų | 139.9 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -75.9 | 150.2 | 179.9 | -59.6 | 154.9 | 110.6 | 0 | 0 | 113 | ||||
| 461 | N | 33.2 | Very low | 36.2 | Very low | 162 Ų | 162 | 139.9 Ų | 139.9 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | -147.5 | 146.9 | 150.9 | -84.7 | -78.2 | 0 | 0 | 0 | 107.8 | ||||
| 462 | N | 32.1 | Very low | 36.2 | Very low | 140 Ų | 140 | 141.3 Ų | 141.3 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | -110.1 | -163 | -168 | -57.5 | -82.5 | 0 | 0 | 0 | 112.4 | ||||
| 463 | P | 55.7 | Low | 36.3 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | -120.2 | -152 | -126.9 | 40.2 | -15.7 | 0 | 0 | 0 | 111.4 | |||||
| 464 | P | 48.4 | Very low | 36.1 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | -149.4 | -172.6 | 56.1 | 41.8 | -19.8 | 0 | 0 | 0 | 116.8 | |||||
| 465 | S | 31 | Very low | 36.5 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | 67.5 | 150.2 | 168.1 | -90 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 466 | E | 33.3 | Very low | 36.1 | Very low | 186 Ų | 186 | 135.4 Ų | 135.4 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | cis | -144.9 | 179.7 | 0 | -150.6 | 152.9 | -151.6 | 0 | 0 | 111.6 | ||||
| 467 | A | 35.4 | Very low | 36.6 | Very low | 87 Ų | 87 | 132.1 Ų | 132.1 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | trans | -103.2 | -174.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 468 | P | 49.4 | Very low | 37 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | cis | -143.5 | -172.6 | 7.5 | 44.8 | -25.6 | 0 | 0 | 0 | 118.3 | ||||
| 469 | A | 33.4 | Very low | 37.8 | Very low | 89 Ų | 89 | 128.4 Ų | 128.4 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | 81.4 | 142.3 | 154.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 470 | E | 33.9 | Very low | 38 | Very low | 172 Ų | 172 | 130 Ų | 130 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | cis | -155.4 | 171.6 | -7.3 | -141 | 178.3 | -135.7 | 0 | 0 | 111.9 | ||||
| 471 | V | 35.3 | Very low | 38.6 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 66% | 0.661 | 78% | 0.78 | S | S | * | * | trans | 20.1 | 129.8 | 165.7 | -74.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 472 | N | 36.7 | Very low | 39.3 | Very low | 157 Ų | 157 | 131.8 Ų | 131.8 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | cis | -162.2 | 168.1 | 49.9 | -111.6 | -37.9 | 0 | 0 | 0 | 113.3 | ||||
| 473 | E | 34.1 | Very low | 40.2 | Very low | 175 Ų | 175 | 131.3 Ų | 131.3 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -85 | 149.7 | -179.3 | -55.6 | -169.3 | 154.3 | 0 | 0 | 114.9 | ||||
| 474 | T | 34 | Very low | 39.7 | Very low | 128 Ų | 128 | 131.1 Ų | 131.1 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | -169.6 | 122.2 | 114.6 | 13.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 475 | T | 33.8 | Very low | 39.4 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | trans | 30.2 | 109.2 | 145.7 | 59.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 476 | S | 35.1 | Very low | 40.2 | Very low | 119 Ų | 119 | 128 Ų | 128 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | 158.9 | 127.2 | 104.1 | -169.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 477 | S | 38.3 | Very low | 41.1 | Very low | 115 Ų | 115 | 123.4 Ų | 123.4 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -175.9 | 166.1 | 171 | -80 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 478 | P | 50.2 | Low | 42.4 | Very low | 119 Ų | 119 | 126.5 Ų | 126.5 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | cis | -121.2 | -143.7 | -5.5 | 43.7 | -25.7 | 0 | 0 | 0 | 108.3 | ||||
| 479 | P | 49.9 | Very low | 42.9 | Very low | 111 Ų | 111 | 124 Ų | 124 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | cis | -131.3 | 165 | -14.2 | 34.4 | -14.6 | 0 | 0 | 0 | 117.3 | ||||
| 480 | T | 35.2 | Very low | 44.7 | Very low | 104 Ų | 104 | 125 Ų | 125 | 64% | 0.638 | 75% | 0.75 | S | S | * | * | trans | -52.7 | 140.7 | 163.7 | 54 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 481 | Q | 41.4 | Very low | 46.7 | Very low | 200 Ų | 200 | 123 Ų | 123 | 94% | 0.935 | 74% | 0.741 | S | S | * | * | trans | -90.5 | 89.7 | 145.7 | -72.8 | -167.2 | -0.9 | 0 | 0 | 109.6 | ||||
| 482 | K | 48.6 | Very low | 48.8 | Very low | 168 Ų | 168 | 121.5 Ų | 121.5 | 73% | 0.73 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 140.3 | 155.5 | -63.8 | 175.4 | -176.7 | 177.1 | 0 | 107 | S484 | K482-S484 PolarHBondContact O-N 3.4Å; K482-S484 VanDerWaalsContact O-N 3.12Å |
| 483 | P | 51.2 | Low | 50.8 | Low | 131 Ų | 131 | 116.4 Ų | 116.4 | 85% | 0.851 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 120.9 | 166.2 | 25.4 | -32 | 0 | 0 | 0 | 108.1 | ||
| 484 | S | 46.1 | Very low | 53.2 | Low | 113 Ų | 113 | 111.7 Ų | 111.7 | 79% | 0.79 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 159.3 | -177.2 | -167.2 | 0 | 0 | 0 | 0 | 111.6 | K482 | K482-S484 PolarHBondContact O-N 3.4Å; K482-S484 VanDerWaalsContact O-N 3.12Å |
| 485 | A | 41.1 | Very low | 55.9 | Low | 84 Ų | 84 | 113.2 Ų | 113.2 | 69% | 0.694 | 68% | 0.684 | S | S | * | * | trans | 20.1 | 115.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | T487 | A485-T487 PolarHBondContact O-N 3.46Š| ||
| 486 | G | 48.4 | Very low | 58.5 | Low | 71 Ų | 71 | 110.7 Ų | 110.7 | 73% | 0.732 | 67% | 0.665 | S | S | * | * | trans | -56.1 | 132.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111 | T488 | G486-T488 PolarHBondContact O-N 3.44Š| ||
| 487 | T | 52.7 | Low | 61 | Low | 90 Ų | 90 | 109.3 Ų | 109.3 | 55% | 0.552 | 65% | 0.648 | S | S | * | * | trans | -64.3 | 123.7 | 179 | 54.9 | 0 | 0 | 0 | 0 | 109.4 | A485 D489 E492 | A485-T487 PolarHBondContact O-N 3.46Å; T487-D489 PolarHBondContact O-N 3.19Å; T487-E492 WeakPolarHBondContact CB-OE2 3.42Å; T487-E492 PolarHBondContact OG1-OE2 2.89Å | ||
| 488 | T | 61.3 | Low | 63.6 | Low | 151 Ų | 151 | 106.4 Ų | 106.4 | 93% | 0.926 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -82.2 | 49.9 | -175.4 | 50.2 | 0 | 0 | 0 | 0 | 111.7 | G486 | G486-T488 PolarHBondContact O-N 3.44Š|
| 489 | D | 59.4 | Low | 65.6 | Low | 68 Ų | 68 | 106.4 Ų | 106.4 | 36% | 0.364 | 62% | 0.621 | S | S | . | * | trans | -126.9 | 115.5 | 171 | -176.9 | -7.8 | 0 | 0 | 0 | 109.4 | T487 E491 E492 A493 | T487-D489 PolarHBondContact O-N 3.19Å; D489-E491 PolarHBondContact O-N 3.47Å; D489-E491 WeakPolarHBondContact OD1-CB 3.49Å; D489-E491 PolarHBondContact OD1-N 3.3Å; D489-E492 HydrophobicContact CB-CB 4.43Å; D489-E492 HydrophobicContact CB-CG 4.12Å; D489-E492 PolarHBondContact O-N 3.25Å; D489-A493 PolarHBondContact O-N 2.96Å | ||
| 490 | P | 72.6 | Confident | 67.7 | Low | 109 Ų | 109 | 107.4 Ų | 107.4 | 71% | 0.708 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.7 | -22.7 | 177.7 | 27.8 | -35.4 | 0 | 0 | 0 | 113.6 | S494 | P490-S494 WeakPolarHBondContact O-CB 3.17Å; P490-S494 PolarHBondContact O-N 3.41Å; P490-S494 VanDerWaalsContact O-N 3.17Å |
| 491 | E | 76 | Confident | 70.6 | Confident | 131 Ų | 131 | 109.8 Ų | 109.8 | 61% | 0.612 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -73.9 | -37.8 | 178.3 | -64.3 | -155.4 | 178.4 | 0 | 0 | 112.5 | D489 S494 R495 | D489-E491 PolarHBondContact O-N 3.47Å; D489-E491 WeakPolarHBondContact OD1-CB 3.49Å; D489-E491 PolarHBondContact OD1-N 3.3Å; E491-S494 WeakPolarHBondContact O-CB 3.27Å; E491-S494 PolarHBondContact O-N 2.86Å; E491-R495 WeakPolarHBondContact O-CB 3.47Å; E491-R495 PolarHBondContact O-N 3.45Å |
| 492 | E | 78.3 | Confident | 73.2 | Confident | 77 Ų | 77 | 108.5 Ų | 108.5 | 36% | 0.36 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.6 | -46 | 175.3 | -68.3 | -161.7 | 142.8 | 0 | 0 | 111.7 | T487 D489 S494 R495 I496 | T487-E492 WeakPolarHBondContact CB-OE2 3.42Å; T487-E492 PolarHBondContact OG1-OE2 2.89Å; D489-E492 HydrophobicContact CB-CB 4.43Å; D489-E492 HydrophobicContact CB-CG 4.12Å; D489-E492 PolarHBondContact O-N 3.25Å; E492-S494 VanDerWaalsContact C-N 3.27Å; E492-S494 PolarHBondContact O-N 2.96Å; E492-R495 WeakPolarHBondContact O-CB 3.37Å; E492-R495 PolarHBondContact O-N 3.26Å; E492-R495 VanDerWaalsContact O-N 3.1Å; E492-I496 WeakPolarHBondContact O-CG1 3.48Å; E492-I496 PolarHBondContact O-N 2.93Å |
| 493 | A | 80.1 | Confident | 75.4 | Confident | 51 Ų | 51 | 104.8 Ų | 104.8 | 42% | 0.421 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -59.3 | -39.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | D489 L497 | D489-A493 PolarHBondContact O-N 2.96Å; A493-L497 WeakPolarHBondContact O-CG 3.28Å; A493-L497 PolarHBondContact O-N 3.38Å; A493-L497 VanDerWaalsContact O-N 3.11Å |
| 494 | S | 84 | Confident | 77.3 | Confident | 75 Ų | 75 | 101.3 Ų | 101.3 | 52% | 0.524 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64 | -43.6 | 173.6 | -171 | 0 | 0 | 0 | 0 | 112 | P490 E491 E492 L497 A498 | P490-S494 WeakPolarHBondContact O-CB 3.17Å; P490-S494 PolarHBondContact O-N 3.41Å; P490-S494 VanDerWaalsContact O-N 3.17Å; E491-S494 WeakPolarHBondContact O-CB 3.27Å; E491-S494 PolarHBondContact O-N 2.86Å; E492-S494 VanDerWaalsContact C-N 3.27Å; E492-S494 PolarHBondContact O-N 2.96Å; S494-L497 PolarHBondContact O-N 3.43Å; S494-A498 WeakPolarHBondContact O-CB 3.41Å; S494-A498 PolarHBondContact O-N 3.14Å |
| 495 | R | 89.4 | Confident | 79.5 | Confident | 161 Ų | 161 | 104.7 Ų | 104.7 | 61% | 0.608 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.2 | -46 | 177.9 | -165.6 | 176.6 | -61.2 | 165.7 | 6.6 | 111.9 | E491 E492 L497 A498 E499 | E491-R495 WeakPolarHBondContact O-CB 3.47Å; E491-R495 PolarHBondContact O-N 3.45Å; E492-R495 WeakPolarHBondContact O-CB 3.37Å; E492-R495 PolarHBondContact O-N 3.26Å; E492-R495 VanDerWaalsContact O-N 3.1Å; R495-L497 VanDerWaalsContact C-N 3.33Å; R495-L497 PolarHBondContact O-N 3.42Å; R495-A498 PolarHBondContact O-N 3.22Å; R495-E499 WeakPolarHBondContact O-CB 3.37Å; R495-E499 PolarHBondContact O-N 3.22Å |
| 496 | I | 88.4 | Confident | 82 | Confident | 76 Ų | 76 | 103.4 Ų | 103.4 | 39% | 0.39 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.6 | -38.6 | 176.7 | -66.8 | 164.1 | 0 | 0 | 0 | 111.2 | E492 K500 | E492-I496 WeakPolarHBondContact O-CG1 3.48Å; E492-I496 PolarHBondContact O-N 2.93Å; I496-K500 HydrophobicContact CG2-CD 4.09Å; I496-K500 WeakPolarHBondContact O-CB 3.34Å; I496-K500 VanDerWaalsContact O-CG 3.31Å; I496-K500 WeakPolarHBondContact O-CG 3.41Å; I496-K500 PolarHBondContact O-N 3.12Å |
| 497 | L | 88.1 | Confident | 83.9 | Confident | 91 Ų | 91 | 106.9 Ų | 106.9 | 48% | 0.476 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -71.2 | -35.8 | 174.8 | -73.1 | 174 | 0 | 0 | 0 | 112.7 | A493 S494 R495 R501 | A493-L497 WeakPolarHBondContact O-CG 3.28Å; A493-L497 PolarHBondContact O-N 3.38Å; A493-L497 VanDerWaalsContact O-N 3.11Å; S494-L497 PolarHBondContact O-N 3.43Å; R495-L497 VanDerWaalsContact C-N 3.33Å; R495-L497 PolarHBondContact O-N 3.42Å; L497-R501 WeakPolarHBondContact O-CB 3.42Å; L497-R501 WeakPolarHBondContact O-CD 3.37Å; L497-R501 WeakPolarHBondContact O-CG 3.47Å; L497-R501 PolarHBondContact O-N 2.84Å |
| 498 | A | 92.8 | Very high | 85.7 | Confident | 54 Ų | 54 | 110.9 Ų | 110.9 | 45% | 0.446 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S494 R495 R501 R502 | S494-A498 WeakPolarHBondContact O-CB 3.41Å; S494-A498 PolarHBondContact O-N 3.14Å; R495-A498 PolarHBondContact O-N 3.22Å; A498-R501 PolarHBondContact O-N 3.28Å; A498-R502 PolarHBondContact O-N 3.46Å |
| 499 | E | 92.5 | Very high | 87.2 | Confident | 119 Ų | 119 | 109.7 Ų | 109.7 | 56% | 0.556 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66 | -46.7 | 176.1 | -176.3 | 167.1 | -128.8 | 0 | 0 | 112.1 | R495 R501 R502 L503 | R495-E499 WeakPolarHBondContact O-CB 3.37Å; R495-E499 PolarHBondContact O-N 3.22Å; E499-R501 VanDerWaalsContact C-N 3.27Å; E499-R501 PolarHBondContact O-N 3.12Å; E499-R502 WeakPolarHBondContact O-CA 3.21Å; E499-R502 WeakPolarHBondContact O-CB 3.41Å; E499-R502 PolarHBondContact O-N 2.93Å; E499-L503 HydrophobicContact CG-CD1 4.37Å; E499-L503 PolarHBondContact O-N 2.87Å |
| 500 | K | 94.4 | Very high | 88.8 | Confident | 132 Ų | 132 | 113.9 Ų | 113.9 | 57% | 0.574 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.8 | -36.1 | 173.6 | -74.1 | 174 | -179.7 | 176.7 | 0 | 112.4 | I496 A504 | I496-K500 HydrophobicContact CG2-CD 4.09Å; I496-K500 WeakPolarHBondContact O-CB 3.34Å; I496-K500 VanDerWaalsContact O-CG 3.31Å; I496-K500 WeakPolarHBondContact O-CG 3.41Å; I496-K500 PolarHBondContact O-N 3.12Å; K500-A504 WeakPolarHBondContact O-CB 3.48Å; K500-A504 PolarHBondContact O-N 2.83Å |
| 501 | R | 96.3 | Very high | 89.7 | Confident | 154 Ų | 154 | 115.2 Ų | 115.2 | 58% | 0.581 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.2 | -32 | 172 | -71.9 | 164.6 | -174.4 | 161.9 | 2.2 | 113 | L497 A498 E499 R505 | L497-R501 WeakPolarHBondContact O-CB 3.42Å; L497-R501 WeakPolarHBondContact O-CD 3.37Å; L497-R501 WeakPolarHBondContact O-CG 3.47Å; L497-R501 PolarHBondContact O-N 2.84Å; A498-R501 PolarHBondContact O-N 3.28Å; E499-R501 VanDerWaalsContact C-N 3.27Å; E499-R501 PolarHBondContact O-N 3.12Å; R501-R505 VanDerWaalsContact O-CG 3.31Å; R501-R505 WeakPolarHBondContact O-CG 3.18Å; R501-R505 PolarHBondContact O-N 3.41Å |
| 502 | R | 95.3 | Very high | 90.4 | Very high | 172 Ų | 172 | 112.8 Ų | 112.8 | 65% | 0.649 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.9 | -51.3 | 172.3 | 177.7 | -176.7 | 170.5 | 175.7 | -0.5 | 110.5 | A498 E499 A504 R505 E506 | A498-R502 PolarHBondContact O-N 3.46Å; E499-R502 WeakPolarHBondContact O-CA 3.21Å; E499-R502 WeakPolarHBondContact O-CB 3.41Å; E499-R502 PolarHBondContact O-N 2.93Å; R502-A504 VanDerWaalsContact C-N 3.31Å; R502-A504 PolarHBondContact O-N 3.11Å; R502-R505 WeakPolarHBondContact O-CA 3.27Å; R502-R505 WeakPolarHBondContact O-CB 3.2Å; R502-R505 PolarHBondContact O-N 3.09Å; R502-E506 PolarHBondContact O-N 3.33Å |
| 503 | L | 94.4 | Very high | 91.2 | Very high | 91 Ų | 91 | 114.5 Ų | 114.5 | 48% | 0.476 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.3 | -39.9 | 178.7 | -67.4 | 172.5 | 0 | 0 | 0 | 112.2 | E499 R505 E506 Q507 | E499-L503 HydrophobicContact CG-CD1 4.37Å; E499-L503 PolarHBondContact O-N 2.87Å; L503-R505 VanDerWaalsContact C-N 3.31Å; L503-R505 PolarHBondContact O-N 3.26Å; L503-E506 PolarHBondContact O-N 3.37Å; L503-Q507 WeakPolarHBondContact O-CB 3.48Å; L503-Q507 WeakPolarHBondContact O-CG 3.43Å; L503-Q507 PolarHBondContact O-N 3.11Å |
| 504 | A | 91.6 | Very high | 91.7 | Very high | 58 Ų | 58 | 116.3 Ų | 116.3 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66 | -29.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | K500 R502 R508 | K500-A504 WeakPolarHBondContact O-CB 3.48Å; K500-A504 PolarHBondContact O-N 2.83Å; R502-A504 VanDerWaalsContact C-N 3.31Å; R502-A504 PolarHBondContact O-N 3.11Å; A504-R508 WeakPolarHBondContact O-CB 3.33Å; A504-R508 PolarHBondContact O-N 3.45Å |
| 505 | R | 91.5 | Very high | 92.1 | Very high | 184 Ų | 184 | 120.6 Ų | 120.6 | 69% | 0.694 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -73.8 | -45.3 | 171.1 | -70.9 | 167.5 | -175.9 | 176 | 0.9 | 110.8 | R501 R502 L503 Q507 R508 E509 | R501-R505 VanDerWaalsContact O-CG 3.31Å; R501-R505 WeakPolarHBondContact O-CG 3.18Å; R501-R505 PolarHBondContact O-N 3.41Å; R502-R505 WeakPolarHBondContact O-CA 3.27Å; R502-R505 WeakPolarHBondContact O-CB 3.2Å; R502-R505 PolarHBondContact O-N 3.09Å; L503-R505 VanDerWaalsContact C-N 3.31Å; L503-R505 PolarHBondContact O-N 3.26Å; R505-Q507 PolarHBondContact O-N 3.43Å; R505-R508 CarbonylContact O-C 3.59Å; R505-R508 PolarHBondContact O-N 3.45Å; R505-E509 WeakPolarHBondContact O-CB 3.41Å; R505-E509 PolarHBondContact O-N 3.37Å |
| 506 | E | 94 | Very high | 92.2 | Very high | 56 Ų | 56 | 120.2 Ų | 120.2 | 26% | 0.262 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.7 | -37.3 | -178.5 | -166.4 | 175.8 | 152.8 | 0 | 0 | 112.3 | R502 L503 E509 R510 | R502-E506 PolarHBondContact O-N 3.33Å; L503-E506 PolarHBondContact O-N 3.37Å; E506-E509 PolarHBondContact O-N 2.95Å; E506-R510 VanDerWaalsContact O-CG 3.28Å; E506-R510 WeakPolarHBondContact O-CG 3.36Å; E506-R510 PolarHBondContact O-N 2.95Å; E506-R510 IonicContact OE1-CZ 3.77Å; E506-R510 IonicContact OE1-NE 3.13Å; E506-R510 IonicContact OE1-NH2 2.74Å; E506-R510 PolarHBondContact OE1-NH2 3.19Å |
| 507 | Q | 88.5 | Confident | 92.4 | Very high | 145 Ų | 145 | 122.7 Ų | 122.7 | 68% | 0.678 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.1 | -46.3 | 170.3 | -77.6 | -175.8 | -35.2 | 0 | 0 | 111.9 | L503 R505 E509 R510 E511 | L503-Q507 WeakPolarHBondContact O-CB 3.48Å; L503-Q507 WeakPolarHBondContact O-CG 3.43Å; L503-Q507 PolarHBondContact O-N 3.11Å; R505-Q507 PolarHBondContact O-N 3.43Å; Q507-E509 VanDerWaalsContact C-N 3.3Å; Q507-E509 PolarHBondContact O-N 2.88Å; Q507-R510 PolarHBondContact O-N 2.81Å; Q507-E511 WeakPolarHBondContact O-CB 3.46Å; Q507-E511 PolarHBondContact O-N 3.35Å |
| 508 | R | 90.1 | Very high | 92.6 | Very high | 173 Ų | 173 | 125.8 Ų | 125.8 | 65% | 0.653 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.1 | -35.4 | 176.6 | 177.8 | 177.4 | 170.3 | 169.4 | 0.1 | 112.4 | A504 R505 E512 | A504-R508 WeakPolarHBondContact O-CB 3.33Å; A504-R508 PolarHBondContact O-N 3.45Å; R505-R508 CarbonylContact O-C 3.59Å; R505-R508 PolarHBondContact O-N 3.45Å; R508-E512 WeakPolarHBondContact O-CB 3.38Å; R508-E512 PolarHBondContact O-N 2.91Å |
| 509 | E | 92.6 | Very high | 92.4 | Very high | 126 Ų | 126 | 129 Ų | 129 | 59% | 0.589 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.6 | -48.2 | 177.3 | -172.5 | 161.3 | -143.1 | 0 | 0 | 110.5 | R505 E506 Q507 E511 E512 E513 | R505-E509 WeakPolarHBondContact O-CB 3.41Å; R505-E509 PolarHBondContact O-N 3.37Å; E506-E509 PolarHBondContact O-N 2.95Å; Q507-E509 VanDerWaalsContact C-N 3.3Å; Q507-E509 PolarHBondContact O-N 2.88Å; E509-E511 PolarHBondContact O-N 2.89Å; E509-E512 PolarHBondContact O-N 3.1Å; E509-E513 WeakPolarHBondContact O-CG 3.43Å; E509-E513 PolarHBondContact O-N 2.89Å |
| 510 | R | 94.3 | Very high | 92.2 | Very high | 157 Ų | 157 | 128 Ų | 128 | 59% | 0.592 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.5 | -39.7 | 173.4 | -66.9 | 174.3 | -168.4 | -160.5 | 6.9 | 112.8 | E506 Q507 E513 E514 | E506-R510 VanDerWaalsContact O-CG 3.28Å; E506-R510 WeakPolarHBondContact O-CG 3.36Å; E506-R510 PolarHBondContact O-N 2.95Å; E506-R510 IonicContact OE1-CZ 3.77Å; E506-R510 IonicContact OE1-NE 3.13Å; E506-R510 IonicContact OE1-NH2 2.74Å; E506-R510 PolarHBondContact OE1-NH2 3.19Å; Q507-R510 PolarHBondContact O-N 2.81Å; R510-E513 PolarHBondContact O-N 2.86Å; R510-E514 PolarHBondContact O-N 3.49Å |
| 511 | E | 91.3 | Very high | 92 | Very high | 137 Ų | 137 | 128.7 Ų | 128.7 | 64% | 0.64 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.1 | -40.1 | 174.3 | -170.2 | -169.9 | 169.5 | 0 | 0 | 111.5 | Q507 E509 R515 | Q507-E511 WeakPolarHBondContact O-CB 3.46Å; Q507-E511 PolarHBondContact O-N 3.35Å; E509-E511 PolarHBondContact O-N 2.89Å; E511-R515 WeakPolarHBondContact O-CB 3.37Å; E511-R515 PolarHBondContact O-N 3.48Å |
| 512 | E | 91.4 | Very high | 91.8 | Very high | 79 Ų | 79 | 123.2 Ų | 123.2 | 37% | 0.369 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.9 | -36.4 | 176.6 | -162 | 178.8 | 132 | 0 | 0 | 112 | R508 E509 R515 R516 | R508-E512 WeakPolarHBondContact O-CB 3.38Å; R508-E512 PolarHBondContact O-N 2.91Å; E509-E512 PolarHBondContact O-N 3.1Å; E512-R515 PolarHBondContact O-N 2.64Å; E512-R516 WeakPolarHBondContact O-CB 3.44Å; E512-R516 WeakPolarHBondContact O-CG 3.35Å; E512-R516 PolarHBondContact O-N 2.75Å; E512-R516 IonicContact OE1-CZ 3.14Å; E512-R516 IonicContact OE1-NE 2.78Å; E512-R516 PolarHBondContact OE1-NE 2.78Å; E512-R516 IonicContact OE1-NH2 2.67Å; E512-R516 PolarHBondContact OE1-NH2 3.06Å |
| 513 | E | 93.6 | Very high | 91.7 | Very high | 113 Ų | 113 | 121.1 Ų | 121.1 | 53% | 0.528 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.7 | -49.2 | 171.5 | -74.5 | -172.6 | 147.8 | 0 | 0 | 112 | E509 R510 R515 R516 Q517 | E509-E513 WeakPolarHBondContact O-CG 3.43Å; E509-E513 PolarHBondContact O-N 2.89Å; R510-E513 PolarHBondContact O-N 2.86Å; E513-R515 VanDerWaalsContact C-N 3.32Å; E513-R515 PolarHBondContact O-N 3.25Å; E513-R516 PolarHBondContact O-N 2.72Å; E513-Q517 WeakPolarHBondContact O-CG 3.41Å; E513-Q517 PolarHBondContact O-N 3.12Å |
| 514 | E | 91.9 | Very high | 91.7 | Very high | 90 Ų | 90 | 121.6 Ų | 121.6 | 42% | 0.421 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63 | -41.5 | 176.9 | -161.4 | -163.6 | 178.4 | 0 | 0 | 111 | R510 R516 Q517 R518 | R510-E514 PolarHBondContact O-N 3.49Å; E514-R516 VanDerWaalsContact C-N 3.33Å; E514-R516 PolarHBondContact O-N 2.7Å; E514-Q517 PolarHBondContact O-N 3.46Å; E514-R518 VanDerWaalsContact CD-CZ 3.41Å; E514-R518 VanDerWaalsContact CD-NE 3.31Å; E514-R518 WeakPolarHBondContact O-CB 3.47Å; E514-R518 VanDerWaalsContact O-CG 3.28Å; E514-R518 WeakPolarHBondContact O-CG 3.3Å; E514-R518 PolarHBondContact O-N 3.48Å; E514-R518 IonicContact OE1-CZ 3Å; E514-R518 IonicContact OE1-NE 3.41Å; E514-R518 PolarHBondContact OE1-NE 3.39Å; E514-R518 IonicContact OE1-NH2 3.46Å; E514-R518 PolarHBondContact OE1-NH2 3.28Å; E514-R518 IonicContact OE2-CZ 2.68Å; E514-R518 IonicContact OE2-NE 2.7Å; E514-R518 IonicContact OE2-NH2 2.84Å; E514-R518 PolarHBondContact OE2-NH2 3.5Å |
| 515 | R | 92.5 | Very high | 91.9 | Very high | 165 Ų | 165 | 121.4 Ų | 121.4 | 62% | 0.623 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.2 | -41.8 | 174.7 | 179.9 | -179.9 | 162.3 | -166.4 | -7.5 | 111.8 | E511 E512 E513 R518 E519 | E511-R515 WeakPolarHBondContact O-CB 3.37Å; E511-R515 PolarHBondContact O-N 3.48Å; E512-R515 PolarHBondContact O-N 2.64Å; E513-R515 VanDerWaalsContact C-N 3.32Å; E513-R515 PolarHBondContact O-N 3.25Å; R515-R518 PolarHBondContact O-N 3.02Å; R515-E519 WeakPolarHBondContact O-CB 3.35Å; R515-E519 PolarHBondContact O-N 2.74Å |
| 516 | R | 90.8 | Very high | 91.7 | Very high | 153 Ų | 153 | 120.1 Ų | 120.1 | 58% | 0.577 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.1 | -46.3 | 174.7 | -75 | 168.3 | -174.4 | -158.5 | 7.4 | 111 | E512 E513 E514 R518 E519 E520 | E512-R516 WeakPolarHBondContact O-CB 3.44Å; E512-R516 WeakPolarHBondContact O-CG 3.35Å; E512-R516 PolarHBondContact O-N 2.75Å; E512-R516 IonicContact OE1-CZ 3.14Å; E512-R516 IonicContact OE1-NE 2.78Å; E512-R516 PolarHBondContact OE1-NE 2.78Å; E512-R516 IonicContact OE1-NH2 2.67Å; E512-R516 PolarHBondContact OE1-NH2 3.06Å; E513-R516 PolarHBondContact O-N 2.72Å; E514-R516 VanDerWaalsContact C-N 3.33Å; E514-R516 PolarHBondContact O-N 2.7Å; R516-R518 PolarHBondContact O-N 2.98Å; R516-E519 PolarHBondContact O-N 3.38Å; R516-E519 VanDerWaalsContact O-N 3.14Å; R516-E520 WeakPolarHBondContact O-CG 3.38Å; R516-E520 PolarHBondContact O-N 3.35Å |
| 517 | Q | 93.1 | Very high | 91.3 | Very high | 128 Ų | 128 | 123.2 Ų | 123.2 | 60% | 0.598 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -58.8 | -45.1 | 175.9 | -67.9 | 176.8 | 23.8 | 0 | 0 | 111.9 | E513 E514 E519 E520 Q521 | E513-Q517 WeakPolarHBondContact O-CG 3.41Å; E513-Q517 PolarHBondContact O-N 3.12Å; E514-Q517 PolarHBondContact O-N 3.46Å; Q517-E519 VanDerWaalsContact C-N 3.34Å; Q517-E519 PolarHBondContact O-N 2.87Å; Q517-E520 PolarHBondContact O-N 2.92Å; Q517-Q521 WeakPolarHBondContact O-CB 3.25Å; Q517-Q521 WeakPolarHBondContact O-CG 3.34Å; Q517-Q521 PolarHBondContact O-N 3.13Å |
| 518 | R | 91.9 | Very high | 91.4 | Very high | 156 Ų | 156 | 120.7 Ų | 120.7 | 59% | 0.589 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.6 | -37.9 | 174.9 | -68.7 | 169.2 | 178.8 | -170.7 | 2.1 | 112.2 | E514 R515 R516 A522 | E514-R518 VanDerWaalsContact CD-CZ 3.41Å; E514-R518 VanDerWaalsContact CD-NE 3.31Å; E514-R518 WeakPolarHBondContact O-CB 3.47Å; E514-R518 VanDerWaalsContact O-CG 3.28Å; E514-R518 WeakPolarHBondContact O-CG 3.3Å; E514-R518 PolarHBondContact O-N 3.48Å; E514-R518 IonicContact OE1-CZ 3Å; E514-R518 IonicContact OE1-NE 3.41Å; E514-R518 PolarHBondContact OE1-NE 3.39Å; E514-R518 IonicContact OE1-NH2 3.46Å; E514-R518 PolarHBondContact OE1-NH2 3.28Å; E514-R518 IonicContact OE2-CZ 2.68Å; E514-R518 IonicContact OE2-NE 2.7Å; E514-R518 IonicContact OE2-NH2 2.84Å; E514-R518 PolarHBondContact OE2-NH2 3.5Å; R515-R518 PolarHBondContact O-N 3.02Å; R516-R518 PolarHBondContact O-N 2.98Å; R518-A522 VanDerWaalsContact O-CB 3.32Å; R518-A522 WeakPolarHBondContact O-CB 3.41Å; R518-A522 PolarHBondContact O-N 3.33Å |
| 519 | E | 87.4 | Confident | 90.7 | Very high | 120 Ų | 120 | 118.2 Ų | 118.2 | 56% | 0.561 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -71.2 | -37.3 | 176.9 | -170 | 168.4 | 160.4 | 0 | 0 | 112.4 | R515 R516 Q517 A522 R523 | R515-E519 WeakPolarHBondContact O-CB 3.35Å; R515-E519 PolarHBondContact O-N 2.74Å; R516-E519 PolarHBondContact O-N 3.38Å; R516-E519 VanDerWaalsContact O-N 3.14Å; Q517-E519 VanDerWaalsContact C-N 3.34Å; Q517-E519 PolarHBondContact O-N 2.87Å; E519-A522 CarbonylContact O-C 3.6Å; E519-A522 PolarHBondContact O-N 3.3Å; E519-R523 WeakPolarHBondContact O-CB 3.24Å; E519-R523 PolarHBondContact O-N 3.08Å |
| 520 | E | 89.9 | Confident | 90.4 | Very high | 100 Ų | 100 | 115.1 Ų | 115.1 | 47% | 0.467 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.1 | -41.6 | 174.2 | -66.3 | -150.6 | 114.1 | 0 | 0 | 112.5 | R516 Q517 A522 R523 L524 | R516-E520 WeakPolarHBondContact O-CG 3.38Å; R516-E520 PolarHBondContact O-N 3.35Å; Q517-E520 PolarHBondContact O-N 2.92Å; E520-A522 VanDerWaalsContact C-N 3.32Å; E520-A522 PolarHBondContact O-N 2.88Å; E520-R523 WeakPolarHBondContact O-CB 3.37Å; E520-R523 PolarHBondContact O-N 3Å; E520-R523 VanDerWaalsContact O-N 3.12Å; E520-R523 IonicContact OE1-CZ 3.04Å; E520-R523 IonicContact OE1-NH1 3.97Å; E520-R523 PolarHBondContact OE1-NH1 3.1Å; E520-R523 IonicContact OE1-NH2 2.67Å; E520-L524 WeakPolarHBondContact O-CG 3.4Å; E520-L524 PolarHBondContact O-N 2.68Å |
| 521 | Q | 90.3 | Very high | 90.3 | Very high | 145 Ų | 145 | 115.1 Ų | 115.1 | 68% | 0.678 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -54.5 | -48.4 | 168.7 | -71.6 | -95.6 | -6.5 | 0 | 0 | 110.7 | Q517 R523 L524 A525 | Q517-Q521 WeakPolarHBondContact O-CB 3.25Å; Q517-Q521 WeakPolarHBondContact O-CG 3.34Å; Q517-Q521 PolarHBondContact O-N 3.13Å; Q521-R523 VanDerWaalsContact C-N 3.32Å; Q521-R523 PolarHBondContact O-N 3Å; Q521-L524 PolarHBondContact O-N 2.91Å; Q521-A525 WeakPolarHBondContact O-CB 3.46Å; Q521-A525 PolarHBondContact O-N 2.87Å |
| 522 | A | 92.3 | Very high | 90.4 | Very high | 40 Ų | 40 | 115.7 Ų | 115.7 | 33% | 0.331 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.6 | -29.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R518 E519 E520 K526 | R518-A522 VanDerWaalsContact O-CB 3.32Å; R518-A522 WeakPolarHBondContact O-CB 3.41Å; R518-A522 PolarHBondContact O-N 3.33Å; E519-A522 CarbonylContact O-C 3.6Å; E519-A522 PolarHBondContact O-N 3.3Å; E520-A522 VanDerWaalsContact C-N 3.32Å; E520-A522 PolarHBondContact O-N 2.88Å; A522-K526 WeakPolarHBondContact O-CB 3.46Å; A522-K526 VanDerWaalsContact O-CD 3.31Å; A522-K526 WeakPolarHBondContact O-CD 3.27Å; A522-K526 WeakPolarHBondContact O-CG 3.43Å; A522-K526 PolarHBondContact O-N 3.15Å; A522-K526 VanDerWaalsContact O-N 3.15Å |
| 523 | R | 92.6 | Very high | 90.1 | Very high | 128 Ų | 128 | 117.8 Ų | 117.8 | 48% | 0.483 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.7 | -49.1 | 173.3 | -167.6 | -176.7 | 79.3 | -131.8 | -0.9 | 110.5 | E519 E520 Q521 K526 E527 | E519-R523 WeakPolarHBondContact O-CB 3.24Å; E519-R523 PolarHBondContact O-N 3.08Å; E520-R523 WeakPolarHBondContact O-CB 3.37Å; E520-R523 PolarHBondContact O-N 3Å; E520-R523 VanDerWaalsContact O-N 3.12Å; E520-R523 IonicContact OE1-CZ 3.04Å; E520-R523 IonicContact OE1-NH1 3.97Å; E520-R523 PolarHBondContact OE1-NH1 3.1Å; E520-R523 IonicContact OE1-NH2 2.67Å; Q521-R523 VanDerWaalsContact C-N 3.32Å; Q521-R523 PolarHBondContact O-N 3Å; R523-K526 PolarHBondContact O-N 3.48Å; R523-E527 WeakPolarHBondContact O-CB 3.33Å; R523-E527 PolarHBondContact O-N 3.24Å |
| 524 | L | 94 | Very high | 89.5 | Confident | 100 Ų | 100 | 115.2 Ų | 115.2 | 52% | 0.524 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 178.9 | -68.9 | 171.6 | 0 | 0 | 0 | 111.8 | E520 Q521 K526 E527 E528 | E520-L524 WeakPolarHBondContact O-CG 3.4Å; E520-L524 PolarHBondContact O-N 2.68Å; Q521-L524 PolarHBondContact O-N 2.91Å; L524-K526 VanDerWaalsContact C-N 3.35Å; L524-K526 PolarHBondContact O-N 2.91Å; L524-E527 PolarHBondContact O-N 3.29Å; L524-E528 PolarHBondContact O-N 3.16Å |
| 525 | A | 94.9 | Very high | 89.3 | Confident | 54 Ų | 54 | 115.9 Ų | 115.9 | 45% | 0.446 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q521 M529 | Q521-A525 WeakPolarHBondContact O-CB 3.46Å; Q521-A525 PolarHBondContact O-N 2.87Å; A525-M529 WeakPolarHBondContact O-CB 3.47Å; A525-M529 VanDerWaalsContact O-CG 3.31Å; A525-M529 WeakPolarHBondContact O-CG 3.36Å; A525-M529 PolarHBondContact O-N 2.99Å |
| 526 | K | 88.6 | Confident | 89.2 | Confident | 157 Ų | 157 | 112.4 Ų | 112.4 | 68% | 0.683 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.4 | -38.1 | 173.9 | -74.2 | 167.9 | -173.4 | 172.1 | 0 | 112.1 | A522 R523 L524 A530 | A522-K526 WeakPolarHBondContact O-CB 3.46Å; A522-K526 VanDerWaalsContact O-CD 3.31Å; A522-K526 WeakPolarHBondContact O-CD 3.27Å; A522-K526 WeakPolarHBondContact O-CG 3.43Å; A522-K526 PolarHBondContact O-N 3.15Å; A522-K526 VanDerWaalsContact O-N 3.15Å; R523-K526 PolarHBondContact O-N 3.48Å; L524-K526 VanDerWaalsContact C-N 3.35Å; L524-K526 PolarHBondContact O-N 2.91Å; K526-A530 WeakPolarHBondContact O-CB 3.44Å; K526-A530 PolarHBondContact O-N 3.41Å |
| 527 | E | 85.9 | Confident | 88.8 | Confident | 121 Ų | 121 | 112.1 Ų | 112.1 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.3 | -41.6 | 177.9 | -172.2 | 166.7 | -176.2 | 0 | 0 | 111.6 | R523 L524 A530 R531 | R523-E527 WeakPolarHBondContact O-CB 3.33Å; R523-E527 PolarHBondContact O-N 3.24Å; L524-E527 PolarHBondContact O-N 3.29Å; E527-A530 PolarHBondContact O-N 2.77Å; E527-R531 WeakPolarHBondContact O-CB 3.19Å; E527-R531 PolarHBondContact O-N 2.84Å |
| 528 | E | 89.4 | Confident | 88.6 | Confident | 92 Ų | 92 | 108.6 Ų | 108.6 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65 | -46.9 | 174.5 | -160.5 | -153.7 | 146.9 | 0 | 0 | 111.8 | L524 A530 R531 R532 | L524-E528 PolarHBondContact O-N 3.16Å; E528-A530 VanDerWaalsContact C-N 3.3Å; E528-A530 PolarHBondContact O-N 2.84Å; E528-R531 WeakPolarHBondContact O-CA 3.38Å; E528-R531 WeakPolarHBondContact O-CB 3.35Å; E528-R531 PolarHBondContact O-N 2.99Å; E528-R531 VanDerWaalsContact O-N 3.09Å; E528-R532 PolarHBondContact O-N 2.93Å; E528-R532 IonicContact OE1-CZ 3.7Å; E528-R532 IonicContact OE1-NE 3.65Å; E528-R532 PolarHBondContact OE1-NE 3.38Å; E528-R532 IonicContact OE1-NH2 2.69Å; E528-R532 PolarHBondContact OE1-NH2 2.84Å |
| 529 | M | 75 | Confident | 88.6 | Confident | 122 Ų | 122 | 108.2 Ų | 108.2 | 60% | 0.601 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.5 | -33.9 | 177.2 | -70.6 | -62.6 | -72 | 0 | 0 | 112.2 | A525 K533 | A525-M529 WeakPolarHBondContact O-CB 3.47Å; A525-M529 VanDerWaalsContact O-CG 3.31Å; A525-M529 WeakPolarHBondContact O-CG 3.36Å; A525-M529 PolarHBondContact O-N 2.99Å; M529-K533 VanDerWaalsContact O-CB 3.29Å; M529-K533 WeakPolarHBondContact O-CB 3.21Å; M529-K533 PolarHBondContact O-N 2.7Å; M529-K533 VanDerWaalsContact O-N 3.07Å |
| 530 | A | 86.5 | Confident | 88.6 | Confident | 60 Ų | 60 | 109.3 Ų | 109.3 | 50% | 0.496 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.1 | -39.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K526 E527 E528 K533 A534 | K526-A530 WeakPolarHBondContact O-CB 3.44Å; K526-A530 PolarHBondContact O-N 3.41Å; E527-A530 PolarHBondContact O-N 2.77Å; E528-A530 VanDerWaalsContact C-N 3.3Å; E528-A530 PolarHBondContact O-N 2.84Å; A530-K533 PolarHBondContact O-N 3.06Å; A530-A534 WeakPolarHBondContact O-CB 3.31Å; A530-A534 PolarHBondContact O-N 3.01Å |
| 531 | R | 93.8 | Very high | 88.5 | Confident | 157 Ų | 157 | 109.9 Ų | 109.9 | 59% | 0.592 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.3 | -52.7 | 174.9 | -161.3 | -158.4 | 105.8 | -171.4 | 5.8 | 111.1 | E527 E528 K533 A534 E535 | E527-R531 WeakPolarHBondContact O-CB 3.19Å; E527-R531 PolarHBondContact O-N 2.84Å; E528-R531 WeakPolarHBondContact O-CA 3.38Å; E528-R531 WeakPolarHBondContact O-CB 3.35Å; E528-R531 PolarHBondContact O-N 2.99Å; E528-R531 VanDerWaalsContact O-N 3.09Å; R531-K533 VanDerWaalsContact C-N 3.29Å; R531-K533 PolarHBondContact O-N 3.18Å; R531-A534 PolarHBondContact O-N 3.1Å; R531-E535 IonicContact CZ-OE2 3.23Å; R531-E535 VanDerWaalsContact CZ-OE2 3.24Å; R531-E535 IonicContact NE-OE2 2.72Å; R531-E535 PolarHBondContact NE-OE2 3.4Å; R531-E535 IonicContact NH2-OE1 3.13Å; R531-E535 PolarHBondContact NH2-OE1 3.45Å; R531-E535 IonicContact NH2-OE2 2.64Å; R531-E535 PolarHBondContact NH2-OE2 2.97Å; R531-E535 WeakPolarHBondContact O-CB 3.28Å; R531-E535 PolarHBondContact O-N 2.83Å |
| 532 | R | 93.1 | Very high | 88.4 | Confident | 149 Ų | 149 | 108.2 Ų | 108.2 | 56% | 0.562 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -54.5 | -44.9 | 177.4 | -69.1 | -175.7 | -174.7 | -145 | 8.1 | 111.3 | E528 A534 E535 E536 | E528-R532 PolarHBondContact O-N 2.93Å; E528-R532 IonicContact OE1-CZ 3.7Å; E528-R532 IonicContact OE1-NE 3.65Å; E528-R532 PolarHBondContact OE1-NE 3.38Å; E528-R532 IonicContact OE1-NH2 2.69Å; E528-R532 PolarHBondContact OE1-NH2 2.84Å; R532-A534 PolarHBondContact O-N 2.89Å; R532-E535 PolarHBondContact O-N 3.04Å; R532-E536 VanDerWaalsContact O-CB 3.3Å; R532-E536 WeakPolarHBondContact O-CB 3.39Å; R532-E536 PolarHBondContact O-N 2.87Å |
| 533 | K | 85.3 | Confident | 88.3 | Confident | 124 Ų | 124 | 112.3 Ų | 112.3 | 54% | 0.539 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.5 | -28.6 | 178.2 | -170.5 | 167.5 | -173 | 165.5 | 0 | 113.9 | M529 A530 R531 R537 | M529-K533 VanDerWaalsContact O-CB 3.29Å; M529-K533 WeakPolarHBondContact O-CB 3.21Å; M529-K533 PolarHBondContact O-N 2.7Å; M529-K533 VanDerWaalsContact O-N 3.07Å; A530-K533 PolarHBondContact O-N 3.06Å; R531-K533 VanDerWaalsContact C-N 3.29Å; R531-K533 PolarHBondContact O-N 3.18Å; K533-R537 WeakPolarHBondContact O-CB 3.36Å; K533-R537 WeakPolarHBondContact O-CG 3.42Å; K533-R537 PolarHBondContact O-N 3.26Å |
| 534 | A | 80.4 | Confident | 88.3 | Confident | 58 Ų | 58 | 109.1 Ų | 109.1 | 48% | 0.479 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -75.6 | -39.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A530 R531 R532 R537 A538 | A530-A534 WeakPolarHBondContact O-CB 3.31Å; A530-A534 PolarHBondContact O-N 3.01Å; R531-A534 PolarHBondContact O-N 3.1Å; R532-A534 PolarHBondContact O-N 2.89Å; A534-R537 PolarHBondContact O-N 2.94Å; A534-A538 WeakPolarHBondContact O-CB 3.4Å; A534-A538 PolarHBondContact O-N 2.76Å |
| 535 | E | 88.6 | Confident | 88.2 | Confident | 104 Ų | 104 | 110.5 Ų | 110.5 | 49% | 0.486 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 176.8 | -160.6 | 169.7 | 146.4 | 0 | 0 | 111.1 | R531 R532 R537 A538 K539 | R531-E535 IonicContact CZ-OE2 3.23Å; R531-E535 VanDerWaalsContact CZ-OE2 3.24Å; R531-E535 IonicContact NE-OE2 2.72Å; R531-E535 PolarHBondContact NE-OE2 3.4Å; R531-E535 IonicContact NH2-OE1 3.13Å; R531-E535 PolarHBondContact NH2-OE1 3.45Å; R531-E535 IonicContact NH2-OE2 2.64Å; R531-E535 PolarHBondContact NH2-OE2 2.97Å; R531-E535 WeakPolarHBondContact O-CB 3.28Å; R531-E535 PolarHBondContact O-N 2.83Å; R532-E535 PolarHBondContact O-N 3.04Å; E535-R537 PolarHBondContact O-N 3.37Å; E535-A538 PolarHBondContact O-N 3.38Å; E535-K539 PolarHBondContact O-N 2.67Å |
| 536 | E | 90.1 | Very high | 88.2 | Confident | 92 Ų | 92 | 114.9 Ų | 114.9 | 43% | 0.43 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.3 | -37.7 | 172.6 | -167 | -155.2 | 157.3 | 0 | 0 | 112.8 | R532 R540 | R532-E536 VanDerWaalsContact O-CB 3.3Å; R532-E536 WeakPolarHBondContact O-CB 3.39Å; R532-E536 PolarHBondContact O-N 2.87Å; E536-R540 PolarHBondContact O-N 3.38Å; E536-R540 IonicContact OE1-CZ 3.55Å; E536-R540 IonicContact OE1-NH1 2.7Å; E536-R540 PolarHBondContact OE1-NH1 2.69Å; E536-R540 IonicContact OE1-NH2 3.55Å; E536-R540 PolarHBondContact OE1-NH2 2.86Å |
| 537 | R | 81.4 | Confident | 88.5 | Confident | 147 Ų | 147 | 113.5 Ų | 113.5 | 56% | 0.555 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -71 | -47.7 | 174.3 | -81.6 | 179.5 | 171.7 | -169.9 | -5.9 | 112 | K533 A534 E535 K539 R540 E541 | K533-R537 WeakPolarHBondContact O-CB 3.36Å; K533-R537 WeakPolarHBondContact O-CG 3.42Å; K533-R537 PolarHBondContact O-N 3.26Å; A534-R537 PolarHBondContact O-N 2.94Å; E535-R537 PolarHBondContact O-N 3.37Å; R537-K539 PolarHBondContact O-N 2.96Å; R537-R540 PolarHBondContact O-N 3.35Å; R537-R540 VanDerWaalsContact O-N 3.09Å; R537-E541 WeakPolarHBondContact O-CB 3.48Å; R537-E541 WeakPolarHBondContact O-CG 3.37Å; R537-E541 PolarHBondContact O-N 3.33Å |
| 538 | A | 88.4 | Confident | 88.6 | Confident | 54 Ų | 54 | 110.5 Ų | 110.5 | 45% | 0.446 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -55.3 | -40.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A534 E535 E541 E542 | A534-A538 WeakPolarHBondContact O-CB 3.4Å; A534-A538 PolarHBondContact O-N 2.76Å; E535-A538 PolarHBondContact O-N 3.38Å; A538-E541 PolarHBondContact O-N 3.01Å; A538-E542 WeakPolarHBondContact O-CB 3.43Å; A538-E542 PolarHBondContact O-N 2.79Å |
| 539 | K | 92.6 | Very high | 88.8 | Confident | 148 Ų | 148 | 108.7 Ų | 108.7 | 64% | 0.643 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.2 | -45.5 | 175.1 | -171.2 | 175.1 | 179.5 | -178.1 | 0 | 113.1 | E535 R537 E541 E542 E543 | E535-K539 PolarHBondContact O-N 2.67Å; R537-K539 PolarHBondContact O-N 2.96Å; K539-E541 VanDerWaalsContact C-N 3.34Å; K539-E542 PolarHBondContact O-N 2.86Å; K539-E543 VanDerWaalsContact O-CB 3.32Å; K539-E543 WeakPolarHBondContact O-CB 3.49Å; K539-E543 PolarHBondContact O-N 3.49Å |
| 540 | R | 87.1 | Confident | 89.6 | Confident | 144 Ų | 144 | 108.4 Ų | 108.4 | 54% | 0.543 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.3 | -34.2 | 175.1 | -71.1 | -162.1 | -169.3 | 86.4 | -1.4 | 112.8 | E536 R537 A544 | E536-R540 PolarHBondContact O-N 3.38Å; E536-R540 IonicContact OE1-CZ 3.55Å; E536-R540 IonicContact OE1-NH1 2.7Å; E536-R540 PolarHBondContact OE1-NH1 2.69Å; E536-R540 IonicContact OE1-NH2 3.55Å; E536-R540 PolarHBondContact OE1-NH2 2.86Å; R537-R540 PolarHBondContact O-N 3.35Å; R537-R540 VanDerWaalsContact O-N 3.09Å; R540-A544 VanDerWaalsContact O-CB 3.28Å; R540-A544 WeakPolarHBondContact O-CB 3.47Å; R540-A544 PolarHBondContact O-N 3.01Å |
| 541 | E | 87.7 | Confident | 89.9 | Confident | 112 Ų | 112 | 112.9 Ų | 112.9 | 52% | 0.523 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.9 | -34.7 | 176 | -72.3 | 169.7 | -148.8 | 0 | 0 | 111.4 | R537 A538 K539 Q545 | R537-E541 WeakPolarHBondContact O-CB 3.48Å; R537-E541 WeakPolarHBondContact O-CG 3.37Å; R537-E541 PolarHBondContact O-N 3.33Å; A538-E541 PolarHBondContact O-N 3.01Å; K539-E541 VanDerWaalsContact C-N 3.34Å; E541-Q545 WeakPolarHBondContact O-CB 3.18Å; E541-Q545 WeakPolarHBondContact O-CG 3.45Å; E541-Q545 PolarHBondContact O-N 2.9Å; E541-Q545 PolarHBondContact O-NE2 3.06Å |
| 542 | E | 89.4 | Confident | 89.9 | Confident | 109 Ų | 109 | 111.1 Ų | 111.1 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.5 | -44.3 | 171.1 | -174.7 | 178.5 | 179.6 | 0 | 0 | 111.8 | A538 K539 A544 Q545 R546 | A538-E542 WeakPolarHBondContact O-CB 3.43Å; A538-E542 PolarHBondContact O-N 2.79Å; K539-E542 PolarHBondContact O-N 2.86Å; E542-A544 PolarHBondContact O-N 3.2Å; E542-Q545 CarbonylContact O-C 3.58Å; E542-Q545 WeakPolarHBondContact O-CA 3.43Å; E542-Q545 WeakPolarHBondContact O-CB 3.41Å; E542-Q545 PolarHBondContact O-N 3.27Å; E542-Q545 VanDerWaalsContact O-N 3.12Å; E542-R546 WeakPolarHBondContact O-CG 3.31Å; E542-R546 PolarHBondContact O-N 3.4Å |
| 543 | E | 89.7 | Confident | 89.9 | Confident | 127 Ų | 127 | 110.6 Ų | 110.6 | 59% | 0.593 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.9 | -43.7 | 177.1 | -173.2 | 171.4 | -167.9 | 0 | 0 | 111.7 | K539 R546 L547 | K539-E543 VanDerWaalsContact O-CB 3.32Å; K539-E543 WeakPolarHBondContact O-CB 3.49Å; K539-E543 PolarHBondContact O-N 3.49Å; E543-R546 PolarHBondContact O-N 2.93Å; E543-L547 PolarHBondContact O-N 2.85Å; E543-L547 VanDerWaalsContact O-N 3.08Å |
| 544 | A | 92.2 | Very high | 90.3 | Very high | 60 Ų | 60 | 110.1 Ų | 110.1 | 50% | 0.496 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.9 | -36.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R540 E542 A548 | R540-A544 VanDerWaalsContact O-CB 3.28Å; R540-A544 WeakPolarHBondContact O-CB 3.47Å; R540-A544 PolarHBondContact O-N 3.01Å; E542-A544 PolarHBondContact O-N 3.2Å; A544-A548 VanDerWaalsContact O-CB 3.31Å; A544-A548 WeakPolarHBondContact O-CB 3.45Å; A544-A548 PolarHBondContact O-N 3.09Å |
| 545 | Q | 92.6 | Very high | 90.8 | Very high | 130 Ų | 130 | 111.2 Ų | 111.2 | 61% | 0.607 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.8 | -35.2 | 173.5 | -81.3 | 167.1 | 67.7 | 0 | 0 | 112.4 | E541 E542 A548 E549 | E541-Q545 WeakPolarHBondContact O-CB 3.18Å; E541-Q545 WeakPolarHBondContact O-CG 3.45Å; E541-Q545 PolarHBondContact O-N 2.9Å; E541-Q545 PolarHBondContact O-NE2 3.06Å; E542-Q545 CarbonylContact O-C 3.58Å; E542-Q545 WeakPolarHBondContact O-CA 3.43Å; E542-Q545 WeakPolarHBondContact O-CB 3.41Å; E542-Q545 PolarHBondContact O-N 3.27Å; E542-Q545 VanDerWaalsContact O-N 3.12Å; Q545-A548 PolarHBondContact O-N 2.85Å; Q545-E549 WeakPolarHBondContact O-CB 3.42Å; Q545-E549 PolarHBondContact O-N 3.41Å |
| 546 | R | 94.7 | Very high | 90.9 | Very high | 146 Ų | 146 | 110.2 Ų | 110.2 | 55% | 0.551 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.7 | -47.5 | 174.7 | -73.2 | -63.7 | -177.4 | -166.3 | 3.2 | 112 | E542 E543 A548 E549 E550 | E542-R546 WeakPolarHBondContact O-CG 3.31Å; E542-R546 PolarHBondContact O-N 3.4Å; E543-R546 PolarHBondContact O-N 2.93Å; R546-A548 VanDerWaalsContact C-N 3.28Å; R546-A548 PolarHBondContact O-N 3.48Å; R546-E549 IonicContact CZ-OE2 3.1Å; R546-E549 IonicContact NH1-OE2 2.61Å; R546-E549 PolarHBondContact NH1-OE2 3.27Å; R546-E549 PolarHBondContact O-N 2.84Å; R546-E550 WeakPolarHBondContact O-CB 3.34Å; R546-E550 PolarHBondContact O-N 3.49Å |
| 547 | L | 93.9 | Very high | 91 | Very high | 127 Ų | 127 | 111.1 Ų | 111.1 | 67% | 0.665 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.3 | -35.8 | 176.4 | -167.3 | 119.7 | 0 | 0 | 0 | 111.9 | E543 R551 | E543-L547 PolarHBondContact O-N 2.85Å; E543-L547 VanDerWaalsContact O-N 3.08Å; L547-R551 WeakPolarHBondContact O-CB 3.16Å; L547-R551 PolarHBondContact O-N 3.31Å |
| 548 | A | 90.1 | Very high | 91.4 | Very high | 58 Ų | 58 | 110.9 Ų | 110.9 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70 | -37.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | A544 Q545 R546 R552 | A544-A548 VanDerWaalsContact O-CB 3.31Å; A544-A548 WeakPolarHBondContact O-CB 3.45Å; A544-A548 PolarHBondContact O-N 3.09Å; Q545-A548 PolarHBondContact O-N 2.85Å; R546-A548 VanDerWaalsContact C-N 3.28Å; R546-A548 PolarHBondContact O-N 3.48Å; A548-R552 WeakPolarHBondContact O-CB 3.4Å; A548-R552 PolarHBondContact O-N 3.35Å |
| 549 | E | 91.9 | Very high | 91.7 | Very high | 55 Ų | 55 | 115.1 Ų | 115.1 | 26% | 0.257 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 174.3 | -165.8 | -163.1 | 162.2 | 0 | 0 | 111.1 | Q545 R546 R552 R553 | Q545-E549 WeakPolarHBondContact O-CB 3.42Å; Q545-E549 PolarHBondContact O-N 3.41Å; R546-E549 IonicContact CZ-OE2 3.1Å; R546-E549 IonicContact NH1-OE2 2.61Å; R546-E549 PolarHBondContact NH1-OE2 3.27Å; R546-E549 PolarHBondContact O-N 2.84Å; E549-R552 PolarHBondContact O-N 3.35Å; E549-R553 WeakPolarHBondContact O-CG 3.42Å; E549-R553 PolarHBondContact O-N 3.48Å; E549-R553 IonicContact OE1-CZ 2.65Å; E549-R553 IonicContact OE1-NE 3.26Å; E549-R553 PolarHBondContact OE1-NE 2.82Å; E549-R553 IonicContact OE1-NH2 3.87Å; E549-R553 PolarHBondContact OE1-NH2 2.94Å |
| 550 | E | 91.9 | Very high | 91.8 | Very high | 115 Ų | 115 | 116.9 Ų | 116.9 | 54% | 0.537 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.1 | -48.7 | 177.2 | -175.9 | 172.6 | -172.7 | 0 | 0 | 111.7 | R546 R552 R553 Q554 | R546-E550 WeakPolarHBondContact O-CB 3.34Å; R546-E550 PolarHBondContact O-N 3.49Å; E550-R552 VanDerWaalsContact C-N 3.31Å; E550-R552 PolarHBondContact O-N 2.9Å; E550-R553 WeakPolarHBondContact O-CB 3.31Å; E550-R553 PolarHBondContact O-N 3.12Å; E550-R553 VanDerWaalsContact O-N 3.13Å; E550-Q554 WeakPolarHBondContact O-CG 3.35Å; E550-Q554 PolarHBondContact O-N 3.47Å |
| 551 | R | 93.7 | Very high | 92.1 | Very high | 154 Ų | 154 | 115.9 Ų | 115.9 | 58% | 0.581 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -56.7 | -44.5 | 172.7 | 178.3 | -179.8 | 162.8 | -162.2 | -9.4 | 111.4 | L547 R553 Q554 E555 | L547-R551 WeakPolarHBondContact O-CB 3.16Å; L547-R551 PolarHBondContact O-N 3.31Å; R551-R553 VanDerWaalsContact C-N 3.27Å; R551-R553 PolarHBondContact O-N 2.83Å; R551-Q554 WeakPolarHBondContact O-CB 3.2Å; R551-Q554 PolarHBondContact O-N 3.09Å; R551-Q554 VanDerWaalsContact O-N 3.1Å; R551-E555 HydrophobicContact CG-CG 4.4Å; R551-E555 IonicContact CZ-OE1 3.42Å; R551-E555 IonicContact NE-OE1 3.73Å; R551-E555 PolarHBondContact NE-OE1 2.84Å; R551-E555 IonicContact NE-OE2 2.69Å; R551-E555 IonicContact NH2-OE1 3.17Å; R551-E555 PolarHBondContact NH2-OE1 2.82Å; R551-E555 WeakPolarHBondContact O-CG 3.42Å; R551-E555 PolarHBondContact O-N 2.96Å |
| 552 | R | 94.3 | Very high | 92.4 | Very high | 120 Ų | 120 | 112.6 Ų | 112.6 | 45% | 0.453 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63 | -33.5 | 179.3 | -153.6 | -166.4 | 83 | -110.8 | -11 | 112.2 | A548 E549 E550 E556 | A548-R552 WeakPolarHBondContact O-CB 3.4Å; A548-R552 PolarHBondContact O-N 3.35Å; E549-R552 PolarHBondContact O-N 3.35Å; E550-R552 VanDerWaalsContact C-N 3.31Å; E550-R552 PolarHBondContact O-N 2.9Å; R552-E556 IonicContact CZ-OE1 2.84Å; R552-E556 IonicContact NE-OE1 3.17Å; R552-E556 PolarHBondContact NE-OE1 3.27Å; R552-E556 IonicContact NH2-OE1 2.68Å; R552-E556 PolarHBondContact NH2-OE1 3.35Å; R552-E556 IonicContact NH2-OE2 3.17Å; R552-E556 WeakPolarHBondContact O-CB 3.34Å; R552-E556 VanDerWaalsContact O-CG 3.25Å; R552-E556 WeakPolarHBondContact O-CG 3.48Å; R552-E556 PolarHBondContact O-N 3.44Å |
| 553 | R | 92.4 | Very high | 92.5 | Very high | 138 Ų | 138 | 114 Ų | 114 | 52% | 0.521 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.5 | -38 | 172.8 | -69.9 | 175.5 | -172.4 | -148.9 | 6.3 | 112.4 | E549 E550 R551 E556 E557 | E549-R553 WeakPolarHBondContact O-CG 3.42Å; E549-R553 PolarHBondContact O-N 3.48Å; E549-R553 IonicContact OE1-CZ 2.65Å; E549-R553 IonicContact OE1-NE 3.26Å; E549-R553 PolarHBondContact OE1-NE 2.82Å; E549-R553 IonicContact OE1-NH2 3.87Å; E549-R553 PolarHBondContact OE1-NH2 2.94Å; E550-R553 WeakPolarHBondContact O-CB 3.31Å; E550-R553 PolarHBondContact O-N 3.12Å; E550-R553 VanDerWaalsContact O-N 3.13Å; R551-R553 VanDerWaalsContact C-N 3.27Å; R551-R553 PolarHBondContact O-N 2.83Å; R553-E556 PolarHBondContact O-N 3.1Å; R553-E557 WeakPolarHBondContact O-CB 3.36Å; R553-E557 PolarHBondContact O-N 3.26Å |
| 554 | Q | 93.4 | Very high | 92.6 | Very high | 114 Ų | 114 | 113.8 Ų | 113.8 | 53% | 0.533 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 174.2 | -67.7 | 172.3 | 4 | 0 | 0 | 110.7 | E550 R551 E557 E558 | E550-Q554 WeakPolarHBondContact O-CG 3.35Å; E550-Q554 PolarHBondContact O-N 3.47Å; R551-Q554 WeakPolarHBondContact O-CB 3.2Å; R551-Q554 PolarHBondContact O-N 3.09Å; R551-Q554 VanDerWaalsContact O-N 3.1Å; Q554-E557 PolarHBondContact O-N 3.36Å; Q554-E558 WeakPolarHBondContact O-CB 3.43Å; Q554-E558 PolarHBondContact O-N 3.08Å |
| 555 | E | 90.4 | Very high | 92.6 | Very high | 82 Ų | 82 | 115.2 Ų | 115.2 | 38% | 0.383 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 174.7 | -69.2 | 172.6 | 159.9 | 0 | 0 | 112.2 | R551 E557 E558 E559 | R551-E555 HydrophobicContact CG-CG 4.4Å; R551-E555 IonicContact CZ-OE1 3.42Å; R551-E555 IonicContact NE-OE1 3.73Å; R551-E555 PolarHBondContact NE-OE1 2.84Å; R551-E555 IonicContact NE-OE2 2.69Å; R551-E555 IonicContact NH2-OE1 3.17Å; R551-E555 PolarHBondContact NH2-OE1 2.82Å; R551-E555 WeakPolarHBondContact O-CG 3.42Å; R551-E555 PolarHBondContact O-N 2.96Å; E555-E557 VanDerWaalsContact C-N 3.29Å; E555-E557 PolarHBondContact O-N 2.77Å; E555-E558 PolarHBondContact O-N 3.18Å; E555-E559 WeakPolarHBondContact O-CB 3.2Å; E555-E559 PolarHBondContact O-N 2.95Å |
| 556 | E | 91 | Very high | 92.7 | Very high | 82 Ų | 82 | 118 Ų | 118 | 38% | 0.383 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.9 | -33.2 | 172.9 | -78.5 | 170 | -164.4 | 0 | 0 | 112.7 | R552 R553 R560 | R552-E556 IonicContact CZ-OE1 2.84Å; R552-E556 IonicContact NE-OE1 3.17Å; R552-E556 PolarHBondContact NE-OE1 3.27Å; R552-E556 IonicContact NH2-OE1 2.68Å; R552-E556 PolarHBondContact NH2-OE1 3.35Å; R552-E556 IonicContact NH2-OE2 3.17Å; R552-E556 WeakPolarHBondContact O-CB 3.34Å; R552-E556 VanDerWaalsContact O-CG 3.25Å; R552-E556 WeakPolarHBondContact O-CG 3.48Å; R552-E556 PolarHBondContact O-N 3.44Å; R553-E556 PolarHBondContact O-N 3.1Å; E556-R560 WeakPolarHBondContact O-CB 3.34Å; E556-R560 WeakPolarHBondContact O-CD 3.32Å; E556-R560 WeakPolarHBondContact O-CG 3.36Å; E556-R560 PolarHBondContact O-N 3.35Å |
| 557 | E | 91.4 | Very high | 92.7 | Very high | 111 Ų | 111 | 114.8 Ų | 114.8 | 52% | 0.519 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -77.5 | -35.2 | 174.9 | -86.2 | -164.7 | -150.5 | 0 | 0 | 113.5 | R553 Q554 E555 K561 | R553-E557 WeakPolarHBondContact O-CB 3.36Å; R553-E557 PolarHBondContact O-N 3.26Å; Q554-E557 PolarHBondContact O-N 3.36Å; E555-E557 VanDerWaalsContact C-N 3.29Å; E555-E557 PolarHBondContact O-N 2.77Å; E557-K561 VanDerWaalsContact O-CD 3.27Å; E557-K561 WeakPolarHBondContact O-CD 3.49Å; E557-K561 VanDerWaalsContact O-CG 3.24Å; E557-K561 WeakPolarHBondContact O-CG 3.39Å; E557-K561 PolarHBondContact O-N 3.27Å; E557-K561 VanDerWaalsContact O-N 3.08Å; E557-K561 IonicContact OE2-NZ 3Å; E557-K561 PolarHBondContact OE2-NZ 2.86Å |
| 558 | E | 91.3 | Very high | 92.6 | Very high | 142 Ų | 142 | 114 Ų | 114 | 66% | 0.664 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -70.7 | -44.4 | 176.1 | -170.8 | 174.4 | 170.1 | 0 | 0 | 110.8 | Q554 E555 R560 K561 A562 | Q554-E558 WeakPolarHBondContact O-CB 3.43Å; Q554-E558 PolarHBondContact O-N 3.08Å; E555-E558 PolarHBondContact O-N 3.18Å; E558-R560 VanDerWaalsContact C-N 3.29Å; E558-R560 PolarHBondContact O-N 3.27Å; E558-K561 PolarHBondContact O-N 2.83Å; E558-K561 VanDerWaalsContact O-N 3.15Å; E558-A562 WeakPolarHBondContact O-CB 3.5Å; E558-A562 PolarHBondContact O-N 3.34Å |
| 559 | E | 93.5 | Very high | 92.7 | Very high | 144 Ų | 144 | 118.3 Ų | 118.3 | 67% | 0.673 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.2 | -41.4 | 173.3 | -175.6 | 172.7 | -148 | 0 | 0 | 111.3 | E555 A562 E563 | E555-E559 WeakPolarHBondContact O-CB 3.2Å; E555-E559 PolarHBondContact O-N 2.95Å; E559-A562 PolarHBondContact O-N 3.38Å; E559-E563 WeakPolarHBondContact O-CB 3.35Å; E559-E563 PolarHBondContact O-N 2.9Å |
| 560 | R | 94.2 | Very high | 92.8 | Very high | 185 Ų | 185 | 121.9 Ų | 121.9 | 70% | 0.698 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.4 | -40.3 | 174.6 | -82.2 | 172.6 | 150.3 | -117.7 | -14.6 | 113.8 | E556 E558 E563 E564 | E556-R560 WeakPolarHBondContact O-CB 3.34Å; E556-R560 WeakPolarHBondContact O-CD 3.32Å; E556-R560 WeakPolarHBondContact O-CG 3.36Å; E556-R560 PolarHBondContact O-N 3.35Å; E558-R560 VanDerWaalsContact C-N 3.29Å; E558-R560 PolarHBondContact O-N 3.27Å; R560-E563 PolarHBondContact O-N 3.17Å; R560-E564 WeakPolarHBondContact O-CB 3.48Å; R560-E564 PolarHBondContact O-N 3.48Å |
| 561 | K | 95.1 | Very high | 92.7 | Very high | 122 Ų | 122 | 124.2 Ų | 124.2 | 53% | 0.53 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.3 | -39 | 176 | -70.9 | 157.3 | -165 | 156.5 | 0 | 110.6 | E557 E558 E564 E565 | E557-K561 VanDerWaalsContact O-CD 3.27Å; E557-K561 WeakPolarHBondContact O-CD 3.49Å; E557-K561 VanDerWaalsContact O-CG 3.24Å; E557-K561 WeakPolarHBondContact O-CG 3.39Å; E557-K561 PolarHBondContact O-N 3.27Å; E557-K561 VanDerWaalsContact O-N 3.08Å; E557-K561 IonicContact OE2-NZ 3Å; E557-K561 PolarHBondContact OE2-NZ 2.86Å; E558-K561 PolarHBondContact O-N 2.83Å; E558-K561 VanDerWaalsContact O-N 3.15Å; K561-E564 PolarHBondContact O-N 3.19Å; K561-E565 WeakPolarHBondContact O-CB 3.41Å; K561-E565 PolarHBondContact O-N 3.1Å |
| 562 | A | 93.4 | Very high | 92.6 | Very high | 44 Ų | 44 | 122.5 Ų | 122.5 | 36% | 0.364 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.3 | -36.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E558 E559 R566 | E558-A562 WeakPolarHBondContact O-CB 3.5Å; E558-A562 PolarHBondContact O-N 3.34Å; E559-A562 PolarHBondContact O-N 3.38Å; A562-R566 WeakPolarHBondContact O-CB 3.38Å; A562-R566 WeakPolarHBondContact O-CG 3.44Å; A562-R566 PolarHBondContact O-N 3.11Å |
| 563 | E | 91.5 | Very high | 92.6 | Very high | 139 Ų | 139 | 123 Ų | 123 | 65% | 0.65 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.3 | -45.4 | 172.5 | -173 | -179.8 | -157.4 | 0 | 0 | 110.9 | E559 R560 R566 L567 | E559-E563 WeakPolarHBondContact O-CB 3.35Å; E559-E563 PolarHBondContact O-N 2.9Å; R560-E563 PolarHBondContact O-N 3.17Å; E563-R566 PolarHBondContact O-N 2.89Å; E563-L567 WeakPolarHBondContact O-CB 3.37Å; E563-L567 PolarHBondContact O-N 2.95Å |
| 564 | E | 90.9 | Very high | 92.6 | Very high | 121 Ų | 121 | 119 Ų | 119 | 57% | 0.565 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.5 | -44.4 | 176.5 | -172.3 | 174 | 175.6 | 0 | 0 | 112 | R560 K561 R566 L567 Q568 | R560-E564 WeakPolarHBondContact O-CB 3.48Å; R560-E564 PolarHBondContact O-N 3.48Å; K561-E564 PolarHBondContact O-N 3.19Å; E564-R566 PolarHBondContact O-N 2.94Å; E564-L567 PolarHBondContact O-N 3.31Å; E564-Q568 WeakPolarHBondContact O-CG 3.46Å; E564-Q568 PolarHBondContact O-N 3.35Å; E564-Q568 PolarHBondContact OE1-NE2 2.87Å |
| 565 | E | 93.1 | Very high | 92.5 | Very high | 91 Ų | 91 | 119.9 Ų | 119.9 | 43% | 0.425 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 176 | -167.4 | -168 | 174 | 0 | 0 | 111.7 | K561 L567 Q568 R569 | K561-E565 WeakPolarHBondContact O-CB 3.41Å; K561-E565 PolarHBondContact O-N 3.1Å; E565-L567 VanDerWaalsContact C-N 3.32Å; E565-L567 PolarHBondContact O-N 2.87Å; E565-Q568 PolarHBondContact O-N 3.02Å; E565-R569 WeakPolarHBondContact O-CG 3.49Å; E565-R569 PolarHBondContact O-N 3.43Å; E565-R569 IonicContact OE1-CZ 2.77Å; E565-R569 VanDerWaalsContact OE1-CZ 3.23Å; E565-R569 IonicContact OE1-NE 2.76Å; E565-R569 PolarHBondContact OE1-NE 3.35Å; E565-R569 VanDerWaalsContact OE1-NE 3.1Å; E565-R569 IonicContact OE1-NH2 3.58Å; E565-R569 PolarHBondContact OE1-NH2 3.3Å; E565-R569 IonicContact OE2-NH2 2.7Å |
| 566 | R | 94.3 | Very high | 92.7 | Very high | 189 Ų | 189 | 124.1 Ų | 124.1 | 71% | 0.713 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.4 | -38.8 | 175.9 | -73.5 | 176.8 | 73.4 | -164.8 | 2 | 111.8 | A562 E563 E564 Q568 R569 E570 | A562-R566 WeakPolarHBondContact O-CB 3.38Å; A562-R566 WeakPolarHBondContact O-CG 3.44Å; A562-R566 PolarHBondContact O-N 3.11Å; E563-R566 PolarHBondContact O-N 2.89Å; E564-R566 PolarHBondContact O-N 2.94Å; R566-Q568 VanDerWaalsContact C-N 3.35Å; R566-R569 PolarHBondContact O-N 2.87Å; R566-E570 WeakPolarHBondContact O-CB 3.27Å; R566-E570 PolarHBondContact O-N 2.98Å |
| 567 | L | 94.3 | Very high | 92.6 | Very high | 77 Ų | 77 | 124 Ų | 124 | 40% | 0.403 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68.2 | -32.2 | 174.7 | -171.6 | 67.4 | 0 | 0 | 0 | 112.4 | E563 E564 E565 R571 | E563-L567 WeakPolarHBondContact O-CB 3.37Å; E563-L567 PolarHBondContact O-N 2.95Å; E564-L567 PolarHBondContact O-N 3.31Å; E565-L567 VanDerWaalsContact C-N 3.32Å; E565-L567 PolarHBondContact O-N 2.87Å; L567-R571 WeakPolarHBondContact O-CD 3.44Å; L567-R571 WeakPolarHBondContact O-CG 3.4Å; L567-R571 PolarHBondContact O-N 3.28Å; L567-R571 VanDerWaalsContact O-N 3.12Å |
| 568 | Q | 92 | Very high | 92.6 | Very high | 110 Ų | 110 | 124.9 Ų | 124.9 | 51% | 0.514 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.3 | -45 | 171.9 | -71.3 | 178.7 | 22.6 | 0 | 0 | 111.3 | E564 E565 R566 R571 E572 | E564-Q568 WeakPolarHBondContact O-CG 3.46Å; E564-Q568 PolarHBondContact O-N 3.35Å; E564-Q568 PolarHBondContact OE1-NE2 2.87Å; E565-Q568 PolarHBondContact O-N 3.02Å; R566-Q568 VanDerWaalsContact C-N 3.35Å; Q568-R571 WeakPolarHBondContact O-CB 3.44Å; Q568-R571 PolarHBondContact O-N 3.04Å; Q568-E572 PolarHBondContact O-N 3.29Å |
| 569 | R | 93.6 | Very high | 92.7 | Very high | 150 Ų | 150 | 124.7 Ų | 124.7 | 57% | 0.566 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.9 | -42.7 | 175.2 | -67.6 | 172.1 | -178.6 | -154.1 | 4.3 | 112.3 | E565 R566 R571 E572 E573 | E565-R569 WeakPolarHBondContact O-CG 3.49Å; E565-R569 PolarHBondContact O-N 3.43Å; E565-R569 IonicContact OE1-CZ 2.77Å; E565-R569 VanDerWaalsContact OE1-CZ 3.23Å; E565-R569 IonicContact OE1-NE 2.76Å; E565-R569 PolarHBondContact OE1-NE 3.35Å; E565-R569 VanDerWaalsContact OE1-NE 3.1Å; E565-R569 IonicContact OE1-NH2 3.58Å; E565-R569 PolarHBondContact OE1-NH2 3.3Å; E565-R569 IonicContact OE2-NH2 2.7Å; R566-R569 PolarHBondContact O-N 2.87Å; R569-R571 VanDerWaalsContact C-N 3.31Å; R569-R571 PolarHBondContact O-N 2.98Å; R569-E572 PolarHBondContact O-N 3.38Å; R569-E573 PolarHBondContact O-N 2.84Å |
| 570 | E | 92.7 | Very high | 92.6 | Very high | 129 Ų | 129 | 123.6 Ų | 123.6 | 60% | 0.603 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.4 | -38.3 | 174.7 | -175.3 | -178.4 | 178.7 | 0 | 0 | 111.8 | R566 A574 | R566-E570 WeakPolarHBondContact O-CB 3.27Å; R566-E570 PolarHBondContact O-N 2.98Å; E570-A574 VanDerWaalsContact O-CB 3.25Å; E570-A574 WeakPolarHBondContact O-CB 3.28Å; E570-A574 PolarHBondContact O-N 2.9Å |
| 571 | R | 90.5 | Very high | 92.6 | Very high | 164 Ų | 164 | 121.4 Ų | 121.4 | 62% | 0.619 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.5 | -41.5 | 174.2 | -73.9 | 169.5 | -174 | -167.6 | 5.5 | 112.6 | L567 Q568 R569 A574 E575 | L567-R571 WeakPolarHBondContact O-CD 3.44Å; L567-R571 WeakPolarHBondContact O-CG 3.4Å; L567-R571 PolarHBondContact O-N 3.28Å; L567-R571 VanDerWaalsContact O-N 3.12Å; Q568-R571 WeakPolarHBondContact O-CB 3.44Å; Q568-R571 PolarHBondContact O-N 3.04Å; R569-R571 VanDerWaalsContact C-N 3.31Å; R569-R571 PolarHBondContact O-N 2.98Å; R571-A574 PolarHBondContact O-N 3.41Å; R571-E575 WeakPolarHBondContact O-CB 3.39Å; R571-E575 PolarHBondContact O-N 3.2Å |
| 572 | E | 92.2 | Very high | 92.3 | Very high | 119 Ų | 119 | 121.6 Ų | 121.6 | 56% | 0.556 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.7 | -44.6 | 176 | -167.5 | -166.5 | 146 | 0 | 0 | 110.9 | Q568 R569 A574 E575 R576 | Q568-E572 PolarHBondContact O-N 3.29Å; R569-E572 PolarHBondContact O-N 3.38Å; E572-A574 PolarHBondContact O-N 3.44Å; E572-E575 PolarHBondContact O-N 2.92Å; E572-R576 WeakPolarHBondContact O-CG 3.31Å; E572-R576 PolarHBondContact O-N 3.49Å |
| 573 | E | 92.4 | Very high | 92.2 | Very high | 130 Ų | 130 | 124.3 Ų | 124.3 | 61% | 0.607 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.8 | -44.2 | 175.9 | -170.6 | 176 | 171.7 | 0 | 0 | 111.5 | R569 E575 R576 L577 | R569-E573 PolarHBondContact O-N 2.84Å; E573-E575 PolarHBondContact O-N 3.42Å; E573-R576 PolarHBondContact O-N 3Å; E573-L577 HydrophobicContact CG-CD1 4.3Å; E573-L577 WeakPolarHBondContact O-CB 3.41Å; E573-L577 WeakPolarHBondContact O-CG 3.42Å; E573-L577 PolarHBondContact O-N 3.18Å |
| 574 | A | 92.7 | Very high | 92 | Very high | 53 Ų | 53 | 123.9 Ų | 123.9 | 44% | 0.438 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.9 | -40 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E570 R571 E572 L577 Q578 | E570-A574 VanDerWaalsContact O-CB 3.25Å; E570-A574 WeakPolarHBondContact O-CB 3.28Å; E570-A574 PolarHBondContact O-N 2.9Å; R571-A574 PolarHBondContact O-N 3.41Å; E572-A574 PolarHBondContact O-N 3.44Å; A574-L577 PolarHBondContact O-N 3.43Å; A574-Q578 WeakPolarHBondContact O-CB 3.46Å; A574-Q578 PolarHBondContact O-N 2.8Å |
| 575 | E | 93.1 | Very high | 92 | Very high | 133 Ų | 133 | 122.8 Ų | 122.8 | 62% | 0.621 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.9 | -43 | 174.9 | -170.5 | -175.5 | 139.7 | 0 | 0 | 111 | R571 E572 E573 L577 Q578 K579 | R571-E575 WeakPolarHBondContact O-CB 3.39Å; R571-E575 PolarHBondContact O-N 3.2Å; E572-E575 PolarHBondContact O-N 2.92Å; E573-E575 PolarHBondContact O-N 3.42Å; E575-L577 PolarHBondContact O-N 2.88Å; E575-Q578 PolarHBondContact O-N 3.44Å; E575-K579 VanDerWaalsContact O-CB 3.27Å; E575-K579 WeakPolarHBondContact O-CB 3.34Å; E575-K579 PolarHBondContact O-N 2.85Å |
| 576 | R | 93.1 | Very high | 91.8 | Very high | 171 Ų | 171 | 121.6 Ų | 121.6 | 65% | 0.645 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.1 | -40.9 | 176.3 | -70.4 | -173.1 | 71.2 | 161.6 | 2 | 112.1 | E572 E573 K579 Q580 | E572-R576 WeakPolarHBondContact O-CG 3.31Å; E572-R576 PolarHBondContact O-N 3.49Å; E573-R576 PolarHBondContact O-N 3Å; R576-K579 PolarHBondContact O-N 3.21Å; R576-Q580 WeakPolarHBondContact O-CG 3.35Å; R576-Q580 PolarHBondContact O-N 2.86Å |
| 577 | L | 90.4 | Very high | 91.6 | Very high | 81 Ų | 81 | 120.1 Ų | 120.1 | 42% | 0.424 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -68.9 | -31.5 | 174.3 | -71 | 170.7 | 0 | 0 | 0 | 113 | E573 A574 E575 K581 | E573-L577 HydrophobicContact CG-CD1 4.3Å; E573-L577 WeakPolarHBondContact O-CB 3.41Å; E573-L577 WeakPolarHBondContact O-CG 3.42Å; E573-L577 PolarHBondContact O-N 3.18Å; A574-L577 PolarHBondContact O-N 3.43Å; E575-L577 PolarHBondContact O-N 2.88Å; L577-K581 WeakPolarHBondContact O-CD 3.32Å; L577-K581 WeakPolarHBondContact O-CG 3.41Å; L577-K581 PolarHBondContact O-N 2.96Å |
| 578 | Q | 90.3 | Very high | 91.5 | Very high | 128 Ų | 128 | 121.9 Ų | 121.9 | 60% | 0.598 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -70.9 | -43.3 | 172 | -179.2 | 173.6 | -30.1 | 0 | 0 | 110.9 | A574 E575 Q580 K581 E582 | A574-Q578 WeakPolarHBondContact O-CB 3.46Å; A574-Q578 PolarHBondContact O-N 2.8Å; E575-Q578 PolarHBondContact O-N 3.44Å; Q578-Q580 PolarHBondContact O-N 3.43Å; Q578-K581 WeakPolarHBondContact O-CB 3.5Å; Q578-K581 PolarHBondContact O-N 3.45Å; Q578-K581 VanDerWaalsContact O-N 3.13Å; Q578-E582 PolarHBondContact O-N 2.96Å |
| 579 | K | 93.9 | Very high | 91.2 | Very high | 138 Ų | 138 | 124.3 Ų | 124.3 | 60% | 0.6 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.4 | -36.3 | 180 | -171.4 | 170.2 | -174.8 | 169.8 | 0 | 112.8 | E575 R576 E582 E583 | E575-K579 VanDerWaalsContact O-CB 3.27Å; E575-K579 WeakPolarHBondContact O-CB 3.34Å; E575-K579 PolarHBondContact O-N 2.85Å; R576-K579 PolarHBondContact O-N 3.21Å; K579-E582 PolarHBondContact O-N 3.45Å; K579-E583 WeakPolarHBondContact O-CB 3.35Å; K579-E583 PolarHBondContact O-N 3.37Å |
| 580 | Q | 90.3 | Very high | 91 | Very high | 121 Ų | 121 | 123.5 Ų | 123.5 | 57% | 0.565 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.5 | -45.9 | 170.4 | -77.2 | 178 | -32.3 | 0 | 0 | 111.8 | R576 Q578 E583 E584 | R576-Q580 WeakPolarHBondContact O-CG 3.35Å; R576-Q580 PolarHBondContact O-N 2.86Å; Q578-Q580 PolarHBondContact O-N 3.43Å; Q580-E583 PolarHBondContact O-N 3.48Å; Q580-E584 WeakPolarHBondContact O-CG 3.43Å; Q580-E584 PolarHBondContact O-N 3.25Å |
| 581 | K | 94.2 | Very high | 90.8 | Very high | 140 Ų | 140 | 123.7 Ų | 123.7 | 61% | 0.609 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.7 | -37.1 | 177.7 | -67.4 | 166.2 | -173.9 | 167.4 | 0 | 112.5 | L577 Q578 E584 E585 | L577-K581 WeakPolarHBondContact O-CD 3.32Å; L577-K581 WeakPolarHBondContact O-CG 3.41Å; L577-K581 PolarHBondContact O-N 2.96Å; Q578-K581 WeakPolarHBondContact O-CB 3.5Å; Q578-K581 PolarHBondContact O-N 3.45Å; Q578-K581 VanDerWaalsContact O-N 3.13Å; K581-E584 PolarHBondContact O-N 2.85Å; K581-E585 WeakPolarHBondContact O-CB 3.44Å; K581-E585 PolarHBondContact O-N 2.87Å |
| 582 | E | 89.4 | Confident | 90.8 | Very high | 126 Ų | 126 | 118.5 Ų | 118.5 | 59% | 0.589 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -70.2 | -34.1 | 175.5 | -172.5 | 168.7 | -172.3 | 0 | 0 | 111.7 | Q578 K579 S586 | Q578-E582 PolarHBondContact O-N 2.96Å; K579-E582 PolarHBondContact O-N 3.45Å; E582-S586 WeakPolarHBondContact O-CB 3.43Å; E582-S586 PolarHBondContact O-N 3.49Å |
| 583 | E | 90.3 | Very high | 90.6 | Very high | 100 Ų | 100 | 118.1 Ų | 118.1 | 47% | 0.467 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.4 | -43.9 | 171.4 | -163.7 | -171.1 | 141.2 | 0 | 0 | 111.7 | K579 Q580 S586 R587 | K579-E583 WeakPolarHBondContact O-CB 3.35Å; K579-E583 PolarHBondContact O-N 3.37Å; Q580-E583 PolarHBondContact O-N 3.48Å; E583-S586 PolarHBondContact O-N 2.86Å; E583-R587 VanDerWaalsContact O-CG 3.31Å; E583-R587 WeakPolarHBondContact O-CG 3.44Å; E583-R587 PolarHBondContact O-N 2.99Å; E583-R587 IonicContact OE1-CZ 3.5Å; E583-R587 VanDerWaalsContact OE1-CZ 3.26Å; E583-R587 IonicContact OE1-NE 3.11Å; E583-R587 PolarHBondContact OE1-NE 3.42Å; E583-R587 IonicContact OE1-NH2 3.19Å; E583-R587 PolarHBondContact OE1-NH2 2.92Å |
| 584 | E | 89.3 | Confident | 90.7 | Very high | 130 Ų | 130 | 120.4 Ų | 120.4 | 61% | 0.607 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61 | -45.1 | 173.6 | -73.1 | -179.4 | 163 | 0 | 0 | 111.9 | Q580 K581 S586 R587 L588 | Q580-E584 WeakPolarHBondContact O-CG 3.43Å; Q580-E584 PolarHBondContact O-N 3.25Å; K581-E584 PolarHBondContact O-N 2.85Å; E584-S586 VanDerWaalsContact C-N 3.35Å; E584-S586 PolarHBondContact O-N 3.14Å; E584-R587 PolarHBondContact O-N 3.42Å; E584-L588 WeakPolarHBondContact O-CG 3.44Å; E584-L588 PolarHBondContact O-N 3.12Å |
| 585 | E | 88.9 | Confident | 90.6 | Very high | 98 Ų | 98 | 121.8 Ų | 121.8 | 46% | 0.458 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66 | -37.6 | 175.5 | -158.6 | -167.5 | 151.1 | 0 | 0 | 111.7 | K581 L588 R589 | K581-E585 WeakPolarHBondContact O-CB 3.44Å; K581-E585 PolarHBondContact O-N 2.87Å; E585-L588 PolarHBondContact O-N 2.82Å; E585-R589 WeakPolarHBondContact O-CB 3.43Å; E585-R589 VanDerWaalsContact O-CG 3.27Å; E585-R589 WeakPolarHBondContact O-CG 3.41Å; E585-R589 PolarHBondContact O-N 3.45Å; E585-R589 IonicContact OE1-CZ 2.75Å; E585-R589 IonicContact OE1-NE 3.48Å; E585-R589 PolarHBondContact OE1-NE 2.89Å; E585-R589 IonicContact OE1-NH2 2.7Å; E585-R589 PolarHBondContact OE1-NH2 3.36Å; E585-R589 IonicContact OE2-NH2 3.33Å |
| 586 | S | 89.8 | Confident | 90.4 | Very high | 66 Ų | 66 | 124.6 Ų | 124.6 | 46% | 0.462 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63 | -45.5 | 175.7 | -170.7 | 0 | 0 | 0 | 0 | 111.5 | E582 E583 E584 L588 R589 E590 | E582-S586 WeakPolarHBondContact O-CB 3.43Å; E582-S586 PolarHBondContact O-N 3.49Å; E583-S586 PolarHBondContact O-N 2.86Å; E584-S586 VanDerWaalsContact C-N 3.35Å; E584-S586 PolarHBondContact O-N 3.14Å; S586-L588 VanDerWaalsContact C-N 3.34Å; S586-L588 PolarHBondContact O-N 3.15Å; S586-R589 CarbonylContact O-C 3.54Å; S586-R589 WeakPolarHBondContact O-CB 3.14Å; S586-R589 PolarHBondContact O-N 3.39Å; S586-R589 VanDerWaalsContact O-N 3.13Å; S586-E590 PolarHBondContact O-N 2.9Å |
| 587 | R | 90.3 | Very high | 90.3 | Very high | 158 Ų | 158 | 119.8 Ų | 119.8 | 60% | 0.596 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -59.1 | -42.4 | 174.3 | -71.9 | 169.5 | -179.6 | -128.4 | 7.4 | 111.8 | E583 E584 E590 E591 | E583-R587 VanDerWaalsContact O-CG 3.31Å; E583-R587 WeakPolarHBondContact O-CG 3.44Å; E583-R587 PolarHBondContact O-N 2.99Å; E583-R587 IonicContact OE1-CZ 3.5Å; E583-R587 VanDerWaalsContact OE1-CZ 3.26Å; E583-R587 IonicContact OE1-NE 3.11Å; E583-R587 PolarHBondContact OE1-NE 3.42Å; E583-R587 IonicContact OE1-NH2 3.19Å; E583-R587 PolarHBondContact OE1-NH2 2.92Å; E584-R587 PolarHBondContact O-N 3.42Å; R587-E590 PolarHBondContact O-N 3.4Å; R587-E591 WeakPolarHBondContact O-CB 3.45Å; R587-E591 PolarHBondContact O-N 3.43Å |
| 588 | L | 91.8 | Very high | 90.3 | Very high | 114 Ų | 114 | 121.9 Ų | 121.9 | 60% | 0.597 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.8 | -35.6 | 175.2 | -70.8 | 169.3 | 0 | 0 | 0 | 112.7 | E584 E585 S586 A592 | E584-L588 WeakPolarHBondContact O-CG 3.44Å; E584-L588 PolarHBondContact O-N 3.12Å; E585-L588 PolarHBondContact O-N 2.82Å; S586-L588 VanDerWaalsContact C-N 3.34Å; S586-L588 PolarHBondContact O-N 3.15Å; L588-A592 WeakPolarHBondContact O-CB 3.18Å; L588-A592 PolarHBondContact O-N 2.84Å |
| 589 | R | 86.8 | Confident | 90.3 | Very high | 161 Ų | 161 | 123.9 Ų | 123.9 | 61% | 0.608 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.7 | -41.1 | 173.6 | -71.7 | 170.7 | -179.8 | -162.4 | 6.7 | 111.7 | E585 S586 A592 E593 | E585-R589 WeakPolarHBondContact O-CB 3.43Å; E585-R589 VanDerWaalsContact O-CG 3.27Å; E585-R589 WeakPolarHBondContact O-CG 3.41Å; E585-R589 PolarHBondContact O-N 3.45Å; E585-R589 IonicContact OE1-CZ 2.75Å; E585-R589 IonicContact OE1-NE 3.48Å; E585-R589 PolarHBondContact OE1-NE 2.89Å; E585-R589 IonicContact OE1-NH2 2.7Å; E585-R589 PolarHBondContact OE1-NH2 3.36Å; E585-R589 IonicContact OE2-NH2 3.33Å; S586-R589 CarbonylContact O-C 3.54Å; S586-R589 WeakPolarHBondContact O-CB 3.14Å; S586-R589 PolarHBondContact O-N 3.39Å; S586-R589 VanDerWaalsContact O-N 3.13Å; R589-A592 PolarHBondContact O-N 3.41Å; R589-E593 PolarHBondContact O-N 2.96Å |
| 590 | E | 88.8 | Confident | 90.2 | Very high | 133 Ų | 133 | 122.7 Ų | 122.7 | 62% | 0.621 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.2 | -44.6 | 175.4 | -169.5 | -169.6 | 153.8 | 0 | 0 | 111.2 | S586 R587 A592 E593 R594 | S586-E590 PolarHBondContact O-N 2.9Å; R587-E590 PolarHBondContact O-N 3.4Å; E590-A592 PolarHBondContact O-N 2.86Å; E590-E593 PolarHBondContact O-N 3.48Å; E590-R594 VanDerWaalsContact O-CB 3.3Å; E590-R594 WeakPolarHBondContact O-CB 3.4Å; E590-R594 PolarHBondContact O-N 2.7Å |
| 591 | E | 89.2 | Confident | 90.3 | Very high | 133 Ų | 133 | 121.9 Ų | 121.9 | 62% | 0.621 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.6 | -41.9 | 175.5 | -172.6 | 174.9 | -160.6 | 0 | 0 | 111.7 | R587 E593 R594 L595 | R587-E591 WeakPolarHBondContact O-CB 3.45Å; R587-E591 PolarHBondContact O-N 3.43Å; E591-E593 VanDerWaalsContact C-N 3.35Å; E591-E593 PolarHBondContact O-N 2.87Å; E591-R594 PolarHBondContact O-N 2.77Å; E591-L595 WeakPolarHBondContact O-CB 3.32Å; E591-L595 PolarHBondContact O-N 3.28Å |
| 592 | A | 89.6 | Confident | 90.1 | Very high | 55 Ų | 55 | 121.2 Ų | 121.2 | 46% | 0.455 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.2 | -34.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | L588 R589 E590 R596 | L588-A592 WeakPolarHBondContact O-CB 3.18Å; L588-A592 PolarHBondContact O-N 2.84Å; R589-A592 PolarHBondContact O-N 3.41Å; E590-A592 PolarHBondContact O-N 2.86Å; A592-R596 PolarHBondContact O-N 2.75Å |
| 593 | E | 88.8 | Confident | 90.2 | Very high | 111 Ų | 111 | 121.4 Ų | 121.4 | 52% | 0.519 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -72.7 | -43.9 | 173.3 | -159.5 | -161.4 | 119 | 0 | 0 | 111.4 | R589 E590 E591 L595 R596 Q597 | R589-E593 PolarHBondContact O-N 2.96Å; E590-E593 PolarHBondContact O-N 3.48Å; E591-E593 VanDerWaalsContact C-N 3.35Å; E591-E593 PolarHBondContact O-N 2.87Å; E593-L595 PolarHBondContact O-N 3.43Å; E593-R596 CarbonylContact O-C 3.58Å; E593-R596 WeakPolarHBondContact O-CA 3.28Å; E593-R596 VanDerWaalsContact O-CB 3.31Å; E593-R596 WeakPolarHBondContact O-CB 3.31Å; E593-R596 PolarHBondContact O-N 3.06Å; E593-Q597 PolarHBondContact O-N 3.07Å; E593-Q597 PolarHBondContact OE1-NE2 2.88Å |
| 594 | R | 93.1 | Very high | 90.2 | Very high | 179 Ų | 179 | 121.5 Ų | 121.5 | 68% | 0.675 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -54.5 | -41.9 | 174.3 | -179.8 | 178.6 | 173.6 | 174.9 | -1.9 | 111.3 | E590 E591 R596 Q597 E598 | E590-R594 VanDerWaalsContact O-CB 3.3Å; E590-R594 WeakPolarHBondContact O-CB 3.4Å; E590-R594 PolarHBondContact O-N 2.7Å; E591-R594 PolarHBondContact O-N 2.77Å; R594-R596 VanDerWaalsContact C-N 3.34Å; R594-R596 PolarHBondContact O-N 2.74Å; R594-Q597 PolarHBondContact O-N 2.89Å; R594-E598 WeakPolarHBondContact O-CB 3.47Å; R594-E598 PolarHBondContact O-N 3.23Å |
| 595 | L | 90.5 | Very high | 90.3 | Very high | 81 Ų | 81 | 122.7 Ų | 122.7 | 42% | 0.424 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.2 | -29.6 | 174.7 | -175.3 | 61.3 | 0 | 0 | 0 | 113.1 | E591 E593 R599 | E591-L595 WeakPolarHBondContact O-CB 3.32Å; E591-L595 PolarHBondContact O-N 3.28Å; E593-L595 PolarHBondContact O-N 3.43Å; L595-R599 WeakPolarHBondContact O-CD 3.33Å; L595-R599 VanDerWaalsContact O-CG 3.25Å; L595-R599 WeakPolarHBondContact O-CG 3.47Å; L595-R599 PolarHBondContact O-N 3.41Å |
| 596 | R | 90.2 | Very high | 90.4 | Very high | 192 Ų | 192 | 121.2 Ų | 121.2 | 73% | 0.725 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -70.4 | -49.2 | 168.9 | -72.1 | 180 | 173.4 | -150.1 | 0.5 | 111.3 | A592 E593 R594 E598 R599 E600 | A592-R596 PolarHBondContact O-N 2.75Å; E593-R596 CarbonylContact O-C 3.58Å; E593-R596 WeakPolarHBondContact O-CA 3.28Å; E593-R596 VanDerWaalsContact O-CB 3.31Å; E593-R596 WeakPolarHBondContact O-CB 3.31Å; E593-R596 PolarHBondContact O-N 3.06Å; R594-R596 VanDerWaalsContact C-N 3.34Å; R594-R596 PolarHBondContact O-N 2.74Å; R596-E598 PolarHBondContact O-N 3.33Å; R596-R599 PolarHBondContact O-N 2.7Å; R596-R599 VanDerWaalsContact O-N 3.14Å; R596-E600 PolarHBondContact O-N 3.37Å |
| 597 | Q | 90.1 | Very high | 90.3 | Very high | 71 Ų | 71 | 123.4 Ų | 123.4 | 33% | 0.332 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.4 | -34.4 | 177.5 | -65.7 | -172.4 | 20.6 | 0 | 0 | 111.7 | E593 R594 E600 K601 | E593-Q597 PolarHBondContact O-N 3.07Å; E593-Q597 PolarHBondContact OE1-NE2 2.88Å; R594-Q597 PolarHBondContact O-N 2.89Å; Q597-E600 PolarHBondContact O-N 3.25Å; Q597-K601 VanDerWaalsContact O-CB 3.26Å; Q597-K601 WeakPolarHBondContact O-CB 3.16Å; Q597-K601 VanDerWaalsContact O-CD 3.3Å; Q597-K601 WeakPolarHBondContact O-CD 3.38Å; Q597-K601 WeakPolarHBondContact O-CG 3.43Å; Q597-K601 PolarHBondContact O-N 3Å |
| 598 | E | 90.9 | Very high | 90.2 | Very high | 124 Ų | 124 | 118.5 Ų | 118.5 | 58% | 0.579 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.9 | -43.1 | 175.3 | -177.5 | 167.2 | -149.3 | 0 | 0 | 112.1 | R594 R596 E600 K601 H602 | R594-E598 WeakPolarHBondContact O-CB 3.47Å; R594-E598 PolarHBondContact O-N 3.23Å; R596-E598 PolarHBondContact O-N 3.33Å; E598-E600 VanDerWaalsContact C-N 3.32Å; E598-E600 PolarHBondContact O-N 2.86Å; E598-K601 PolarHBondContact O-N 2.73Å; E598-H602 WeakPolarHBondContact O-CB 3.29Å; E598-H602 PolarHBondContact O-N 2.66Å |
| 599 | R | 90.2 | Very high | 90.2 | Very high | 170 Ų | 170 | 116.9 Ų | 116.9 | 64% | 0.642 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.9 | -38.7 | 173.5 | -68.8 | 166.9 | -171.7 | -161.5 | 2.2 | 112 | L595 R596 H602 F603 | L595-R599 WeakPolarHBondContact O-CD 3.33Å; L595-R599 VanDerWaalsContact O-CG 3.25Å; L595-R599 WeakPolarHBondContact O-CG 3.47Å; L595-R599 PolarHBondContact O-N 3.41Å; R596-R599 PolarHBondContact O-N 2.7Å; R596-R599 VanDerWaalsContact O-N 3.14Å; R599-H602 WeakPolarHBondContact O-CB 3.3Å; R599-H602 PolarHBondContact O-N 3.01Å; R599-F603 PolarHBondContact O-N 2.94Å |
| 600 | E | 91 | Very high | 90.4 | Very high | 113 Ų | 113 | 116.7 Ų | 116.7 | 53% | 0.528 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.7 | -46.6 | 174.9 | -171.6 | 179.5 | -179.8 | 0 | 0 | 111.6 | R596 Q597 E598 H602 F603 Q604 | R596-E600 PolarHBondContact O-N 3.37Å; Q597-E600 PolarHBondContact O-N 3.25Å; E598-E600 VanDerWaalsContact C-N 3.32Å; E598-E600 PolarHBondContact O-N 2.86Å; E600-H602 PolarHBondContact O-N 2.67Å; E600-F603 PolarHBondContact O-N 3.19Å; E600-F603 VanDerWaalsContact O-N 3.07Å; E600-Q604 HydrophobicContact CG-CG 4.48Å; E600-Q604 WeakPolarHBondContact O-CG 3.31Å; E600-Q604 PolarHBondContact O-N 3.34Å; E600-Q604 PolarHBondContact OE1-NE2 2.69Å |
| 601 | K | 93.4 | Very high | 90.4 | Very high | 104 Ų | 104 | 115.4 Ų | 115.4 | 45% | 0.452 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.7 | -32.1 | 174.2 | -72.3 | 161 | -167.9 | 164.3 | 0 | 111.8 | Q597 E598 K605 | Q597-K601 VanDerWaalsContact O-CB 3.26Å; Q597-K601 WeakPolarHBondContact O-CB 3.16Å; Q597-K601 VanDerWaalsContact O-CD 3.3Å; Q597-K601 WeakPolarHBondContact O-CD 3.38Å; Q597-K601 WeakPolarHBondContact O-CG 3.43Å; Q597-K601 PolarHBondContact O-N 3Å; E598-K601 PolarHBondContact O-N 2.73Å; K601-K605 VanDerWaalsContact O-CB 3.31Å; K601-K605 WeakPolarHBondContact O-CB 3.27Å; K601-K605 WeakPolarHBondContact O-CD 3.36Å; K601-K605 WeakPolarHBondContact O-CG 3.13Å; K601-K605 PolarHBondContact O-N 2.83Å |
| 602 | H | 90.6 | Very high | 90.4 | Very high | 127 Ų | 127 | 115.3 Ų | 115.3 | 59% | 0.588 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66 | -46.8 | 170.6 | -179.1 | -68.2 | 0 | 0 | 0 | 111.3 | E598 R599 E600 K605 E606 | E598-H602 WeakPolarHBondContact O-CB 3.29Å; E598-H602 PolarHBondContact O-N 2.66Å; R599-H602 WeakPolarHBondContact O-CB 3.3Å; R599-H602 PolarHBondContact O-N 3.01Å; E600-H602 PolarHBondContact O-N 2.67Å; H602-K605 PolarHBondContact O-N 2.78Å; H602-E606 PolarHBondContact O-N 2.97Å |
| 603 | F | 91.1 | Very high | 90.4 | Very high | 130 Ų | 130 | 119.7 Ų | 119.7 | 57% | 0.57 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.1 | -45.5 | 177.5 | -172 | -93.3 | 0 | 0 | 0 | 112.2 | R599 E600 K605 E606 E607 | R599-F603 PolarHBondContact O-N 2.94Å; E600-F603 PolarHBondContact O-N 3.19Å; E600-F603 VanDerWaalsContact O-N 3.07Å; F603-K605 VanDerWaalsContact C-N 3.32Å; F603-K605 PolarHBondContact O-N 2.97Å; F603-E606 PolarHBondContact O-N 3.3Å; F603-E606 VanDerWaalsContact O-N 3.15Å; F603-E607 PolarHBondContact O-N 3.39Å |
| 604 | Q | 90.4 | Very high | 90.7 | Very high | 102 Ų | 102 | 120.8 Ų | 120.8 | 48% | 0.477 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.5 | -37.7 | 174.7 | -69 | 177.4 | 9.6 | 0 | 0 | 112.1 | E600 A608 | E600-Q604 HydrophobicContact CG-CG 4.48Å; E600-Q604 WeakPolarHBondContact O-CG 3.31Å; E600-Q604 PolarHBondContact O-N 3.34Å; E600-Q604 PolarHBondContact OE1-NE2 2.69Å; Q604-A608 VanDerWaalsContact O-CB 3.24Å; Q604-A608 WeakPolarHBondContact O-CB 3.43Å; Q604-A608 PolarHBondContact O-N 2.69Å |
| 605 | K | 91.8 | Very high | 90.7 | Very high | 154 Ų | 154 | 119.4 Ų | 119.4 | 67% | 0.67 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.5 | -43.1 | 172.1 | -79.2 | 169.4 | -178.4 | 179.9 | 0 | 111.9 | K601 H602 F603 A608 E609 | K601-K605 VanDerWaalsContact O-CB 3.31Å; K601-K605 WeakPolarHBondContact O-CB 3.27Å; K601-K605 WeakPolarHBondContact O-CD 3.36Å; K601-K605 WeakPolarHBondContact O-CG 3.13Å; K601-K605 PolarHBondContact O-N 2.83Å; H602-K605 PolarHBondContact O-N 2.78Å; F603-K605 VanDerWaalsContact C-N 3.32Å; F603-K605 PolarHBondContact O-N 2.97Å; K605-A608 PolarHBondContact O-N 3.38Å; K605-E609 WeakPolarHBondContact O-CB 3.49Å; K605-E609 PolarHBondContact O-N 2.87Å |
| 606 | E | 90.3 | Very high | 90.7 | Very high | 68 Ų | 68 | 123.6 Ų | 123.6 | 32% | 0.318 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 176.4 | -159.2 | -158.6 | 142 | 0 | 0 | 111.2 | H602 F603 E609 R610 | H602-E606 PolarHBondContact O-N 2.97Å; F603-E606 PolarHBondContact O-N 3.3Å; F603-E606 VanDerWaalsContact O-N 3.15Å; E606-E609 CarbonylContact O-C 3.59Å; E606-E609 PolarHBondContact O-N 2.87Å; E606-R610 WeakPolarHBondContact O-CB 3.19Å; E606-R610 WeakPolarHBondContact O-CG 3.48Å; E606-R610 PolarHBondContact O-N 3.25Å; E606-R610 IonicContact OE1-CZ 3.41Å; E606-R610 IonicContact OE1-NE 2.79Å; E606-R610 PolarHBondContact OE1-NE 2.83Å; E606-R610 IonicContact OE1-NH2 3.13Å; E606-R610 PolarHBondContact OE1-NH2 3.02Å |
| 607 | E | 86.7 | Confident | 90.7 | Very high | 111 Ų | 111 | 119.4 Ų | 119.4 | 52% | 0.519 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 177.4 | -173.7 | 166.9 | -152.4 | 0 | 0 | 112.1 | F603 E609 R610 L611 | F603-E607 PolarHBondContact O-N 3.39Å; E607-E609 VanDerWaalsContact C-N 3.35Å; E607-E609 PolarHBondContact O-N 2.77Å; E607-R610 WeakPolarHBondContact O-CB 3.28Å; E607-R610 PolarHBondContact O-N 2.73Å; E607-L611 WeakPolarHBondContact O-CG 3.44Å; E607-L611 PolarHBondContact O-N 3.24Å |
| 608 | A | 89 | Confident | 90.5 | Very high | 55 Ų | 55 | 120.2 Ų | 120.2 | 46% | 0.455 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q604 K605 L611 E612 | Q604-A608 VanDerWaalsContact O-CB 3.24Å; Q604-A608 WeakPolarHBondContact O-CB 3.43Å; Q604-A608 PolarHBondContact O-N 2.69Å; K605-A608 PolarHBondContact O-N 3.38Å; A608-L611 CarbonylContact O-C 3.59Å; A608-L611 PolarHBondContact O-N 2.89Å; A608-E612 WeakPolarHBondContact O-CB 2.89Å; A608-E612 PolarHBondContact O-N 2.9Å |
| 609 | E | 91.2 | Very high | 90.4 | Very high | 81 Ų | 81 | 120.2 Ų | 120.2 | 38% | 0.379 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.6 | -35.4 | 175.5 | -155.1 | -151.7 | 166.4 | 0 | 0 | 111.7 | K605 E606 E607 L611 E612 R613 | K605-E609 WeakPolarHBondContact O-CB 3.49Å; K605-E609 PolarHBondContact O-N 2.87Å; E606-E609 CarbonylContact O-C 3.59Å; E606-E609 PolarHBondContact O-N 2.87Å; E607-E609 VanDerWaalsContact C-N 3.35Å; E607-E609 PolarHBondContact O-N 2.77Å; E609-L611 VanDerWaalsContact C-N 3.32Å; E609-L611 PolarHBondContact O-N 3.14Å; E609-E612 PolarHBondContact O-N 3.12Å; E609-R613 VanDerWaalsContact CD-CZ 3.44Å; E609-R613 HydrophobicContact CG-CG 4.43Å; E609-R613 VanDerWaalsContact O-CB 3.23Å; E609-R613 WeakPolarHBondContact O-CB 3.48Å; E609-R613 WeakPolarHBondContact O-CG 3.34Å; E609-R613 PolarHBondContact O-N 3.19Å; E609-R613 IonicContact OE1-CZ 2.79Å; E609-R613 IonicContact OE1-NE 3.95Å; E609-R613 PolarHBondContact OE1-NE 3.36Å; E609-R613 IonicContact OE1-NH2 2.65Å; E609-R613 PolarHBondContact OE1-NH2 3.03Å; E609-R613 IonicContact OE2-CZ 3.62Å; E609-R613 IonicContact OE2-NE 3.54Å; E609-R613 PolarHBondContact OE2-NE 3.38Å; E609-R613 IonicContact OE2-NH2 3.2Å; E609-R613 PolarHBondContact OE2-NH2 3.18Å |
| 610 | R | 91.5 | Very high | 90.2 | Very high | 157 Ų | 157 | 115 Ų | 115 | 59% | 0.592 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.6 | -41.3 | 172.8 | -63.1 | -105.2 | -165.1 | 136.2 | 3.8 | 110.6 | E606 E607 K614 | E606-R610 WeakPolarHBondContact O-CB 3.19Å; E606-R610 WeakPolarHBondContact O-CG 3.48Å; E606-R610 PolarHBondContact O-N 3.25Å; E606-R610 IonicContact OE1-CZ 3.41Å; E606-R610 IonicContact OE1-NE 2.79Å; E606-R610 PolarHBondContact OE1-NE 2.83Å; E606-R610 IonicContact OE1-NH2 3.13Å; E606-R610 PolarHBondContact OE1-NH2 3.02Å; E607-R610 WeakPolarHBondContact O-CB 3.28Å; E607-R610 PolarHBondContact O-N 2.73Å; R610-K614 VanDerWaalsContact O-CB 3.23Å; R610-K614 WeakPolarHBondContact O-CB 3.45Å; R610-K614 PolarHBondContact O-N 2.8Å |
| 611 | L | 89 | Confident | 89.8 | Confident | 106 Ų | 106 | 113.7 Ų | 113.7 | 56% | 0.555 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.9 | -37.3 | 174.8 | -69.9 | 175.3 | 0 | 0 | 0 | 112.5 | E607 A608 E609 K614 K615 | E607-L611 WeakPolarHBondContact O-CG 3.44Å; E607-L611 PolarHBondContact O-N 3.24Å; A608-L611 CarbonylContact O-C 3.59Å; A608-L611 PolarHBondContact O-N 2.89Å; E609-L611 VanDerWaalsContact C-N 3.32Å; E609-L611 PolarHBondContact O-N 3.14Å; L611-K614 PolarHBondContact O-N 2.78Å; L611-K615 VanDerWaalsContact O-CB 3.28Å; L611-K615 WeakPolarHBondContact O-CB 3.32Å; L611-K615 PolarHBondContact O-N 3.39Å |
| 612 | E | 89.7 | Confident | 89.4 | Confident | 131 Ų | 131 | 114.4 Ų | 114.4 | 61% | 0.612 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.2 | -47.2 | 174.4 | -173.9 | 178.4 | -168.8 | 0 | 0 | 111.5 | A608 E609 K614 K615 R616 | A608-E612 WeakPolarHBondContact O-CB 2.89Å; A608-E612 PolarHBondContact O-N 2.9Å; E609-E612 PolarHBondContact O-N 3.12Å; E612-K614 VanDerWaalsContact C-N 3.26Å; E612-K614 PolarHBondContact O-N 2.87Å; E612-K615 PolarHBondContact O-N 2.98Å; E612-K615 VanDerWaalsContact O-N 3.14Å; E612-R616 VanDerWaalsContact O-CB 3.27Å; E612-R616 WeakPolarHBondContact O-CB 3.37Å; E612-R616 PolarHBondContact O-N 2.9Å |
| 613 | R | 89.6 | Confident | 88.9 | Confident | 147 Ų | 147 | 116.7 Ų | 116.7 | 56% | 0.555 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -55.5 | -42.8 | 172 | -72.5 | 169.8 | 180 | -170.1 | 8.6 | 110.7 | E609 L617 | E609-R613 VanDerWaalsContact CD-CZ 3.44Å; E609-R613 HydrophobicContact CG-CG 4.43Å; E609-R613 VanDerWaalsContact O-CB 3.23Å; E609-R613 WeakPolarHBondContact O-CB 3.48Å; E609-R613 WeakPolarHBondContact O-CG 3.34Å; E609-R613 PolarHBondContact O-N 3.19Å; E609-R613 IonicContact OE1-CZ 2.79Å; E609-R613 IonicContact OE1-NE 3.95Å; E609-R613 PolarHBondContact OE1-NE 3.36Å; E609-R613 IonicContact OE1-NH2 2.65Å; E609-R613 PolarHBondContact OE1-NH2 3.03Å; E609-R613 IonicContact OE2-CZ 3.62Å; E609-R613 IonicContact OE2-NE 3.54Å; E609-R613 PolarHBondContact OE2-NE 3.38Å; E609-R613 IonicContact OE2-NH2 3.2Å; E609-R613 PolarHBondContact OE2-NH2 3.18Å; R613-L617 VanDerWaalsContact O-CB 3.28Å; R613-L617 WeakPolarHBondContact O-CB 3.38Å; R613-L617 PolarHBondContact O-N 3.19Å |
| 614 | K | 93.8 | Very high | 88.2 | Confident | 134 Ų | 134 | 115 Ų | 115 | 58% | 0.583 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.5 | -45 | 174.4 | -177.8 | -176.7 | 176.8 | -174.7 | 0 | 112.3 | R610 L611 E612 L617 E618 | R610-K614 VanDerWaalsContact O-CB 3.23Å; R610-K614 WeakPolarHBondContact O-CB 3.45Å; R610-K614 PolarHBondContact O-N 2.8Å; L611-K614 PolarHBondContact O-N 2.78Å; E612-K614 VanDerWaalsContact C-N 3.26Å; E612-K614 PolarHBondContact O-N 2.87Å; K614-L617 PolarHBondContact O-N 3.41Å; K614-E618 WeakPolarHBondContact O-CB 3.4Å; K614-E618 PolarHBondContact O-N 3.19Å |
| 615 | K | 93.8 | Very high | 87.3 | Confident | 150 Ų | 150 | 119 Ų | 119 | 65% | 0.652 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.9 | -43.4 | 177.7 | -179.4 | -174.5 | 174.1 | -170.1 | 0 | 111.5 | L611 E612 E618 E619 | L611-K615 VanDerWaalsContact O-CB 3.28Å; L611-K615 WeakPolarHBondContact O-CB 3.32Å; L611-K615 PolarHBondContact O-N 3.39Å; E612-K615 PolarHBondContact O-N 2.98Å; E612-K615 VanDerWaalsContact O-N 3.14Å; K615-E618 CarbonylContact O-C 3.55Å; K615-E618 PolarHBondContact O-N 3.1Å; K615-E619 WeakPolarHBondContact O-CB 3.48Å; K615-E619 PolarHBondContact O-N 3.08Å |
| 616 | R | 91.1 | Very high | 85.8 | Confident | 169 Ų | 169 | 122.3 Ų | 122.3 | 64% | 0.638 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.4 | -39.5 | 174.3 | -174.3 | 179.6 | 178.9 | -165.9 | 0.4 | 111.3 | E612 E619 I620 | E612-R616 VanDerWaalsContact O-CB 3.27Å; E612-R616 WeakPolarHBondContact O-CB 3.37Å; E612-R616 PolarHBondContact O-N 2.9Å; R616-E619 PolarHBondContact O-N 3.44Å; R616-I620 HydrophobicContact CG-CD1 4.15Å; R616-I620 WeakPolarHBondContact O-CB 3.44Å; R616-I620 WeakPolarHBondContact O-CD1 3.49Å; R616-I620 WeakPolarHBondContact O-CG1 3.37Å; R616-I620 PolarHBondContact O-N 3.49Å |
| 617 | L | 89.7 | Confident | 84 | Confident | 103 Ų | 103 | 123.5 Ų | 123.5 | 54% | 0.539 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.4 | -43.4 | 172.5 | -167.8 | 74.7 | 0 | 0 | 0 | 111.2 | R613 K614 E619 I620 M621 | R613-L617 VanDerWaalsContact O-CB 3.28Å; R613-L617 WeakPolarHBondContact O-CB 3.38Å; R613-L617 PolarHBondContact O-N 3.19Å; K614-L617 PolarHBondContact O-N 3.41Å; L617-E619 VanDerWaalsContact C-N 3.34Å; L617-E619 PolarHBondContact O-N 2.9Å; L617-I620 CarbonylContact O-C 3.58Å; L617-I620 PolarHBondContact O-N 3.09Å; L617-M621 HydrophobicContact CG-SD 4.39Å; L617-M621 WeakPolarHBondContact O-CB 3.32Å; L617-M621 VanDerWaalsContact O-CG 3.27Å; L617-M621 WeakPolarHBondContact O-CG 3.45Å; L617-M621 PolarHBondContact O-N 3.36Å |
| 618 | E | 86.9 | Confident | 82.5 | Confident | 88 Ų | 88 | 124.8 Ų | 124.8 | 41% | 0.411 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64 | -37.1 | 176.1 | -166.2 | -167.3 | 142.7 | 0 | 0 | 111.9 | K614 K615 M621 K622 | K614-E618 WeakPolarHBondContact O-CB 3.4Å; K614-E618 PolarHBondContact O-N 3.19Å; K615-E618 CarbonylContact O-C 3.55Å; K615-E618 PolarHBondContact O-N 3.1Å; E618-M621 CarbonylContact O-C 3.59Å; E618-M621 PolarHBondContact O-N 3.48Å; E618-K622 HydrophobicContact CG-CD 4.31Å; E618-K622 VanDerWaalsContact O-CB 3.29Å; E618-K622 WeakPolarHBondContact O-CB 3.39Å; E618-K622 VanDerWaalsContact O-CG 3.32Å; E618-K622 WeakPolarHBondContact O-CG 3.42Å; E618-K622 PolarHBondContact O-N 3.4Å; E618-K622 WeakPolarHBondContact OE1-CE 3.45Å; E618-K622 IonicContact OE1-NZ 2.87Å; E618-K622 PolarHBondContact OE1-NZ 2.9Å |
| 619 | E | 88.2 | Confident | 80.6 | Confident | 125 Ų | 125 | 129 Ų | 129 | 58% | 0.584 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66.7 | -43.5 | 172.5 | -178.7 | 173.6 | -151.2 | 0 | 0 | 111.6 | K615 R616 L617 M621 K622 R623 | K615-E619 WeakPolarHBondContact O-CB 3.48Å; K615-E619 PolarHBondContact O-N 3.08Å; R616-E619 PolarHBondContact O-N 3.44Å; L617-E619 VanDerWaalsContact C-N 3.34Å; L617-E619 PolarHBondContact O-N 2.9Å; E619-M621 VanDerWaalsContact C-N 3.26Å; E619-M621 PolarHBondContact O-N 2.79Å; E619-K622 PolarHBondContact O-N 3.16Å; E619-R623 WeakPolarHBondContact O-CG 3.44Å; E619-R623 PolarHBondContact O-N 3.21Å |
| 620 | I | 85.2 | Confident | 78.1 | Confident | 60 Ų | 60 | 130.6 Ų | 130.6 | 31% | 0.308 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -61.3 | -34.8 | 171.8 | -70.6 | 164.4 | 0 | 0 | 0 | 111.3 | R616 L617 R623 T624 | R616-I620 HydrophobicContact CG-CD1 4.15Å; R616-I620 WeakPolarHBondContact O-CB 3.44Å; R616-I620 WeakPolarHBondContact O-CD1 3.49Å; R616-I620 WeakPolarHBondContact O-CG1 3.37Å; R616-I620 PolarHBondContact O-N 3.49Å; L617-I620 CarbonylContact O-C 3.58Å; L617-I620 PolarHBondContact O-N 3.09Å; I620-R623 WeakPolarHBondContact O-CG 3.45Å; I620-T624 WeakPolarHBondContact O-CG2 3.43Å; I620-T624 PolarHBondContact O-N 3.32Å; I620-T624 PolarHBondContact O-OG1 3.05Å |
| 621 | M | 82.6 | Confident | 75.8 | Confident | 86 Ų | 86 | 130 Ų | 130 | 42% | 0.424 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -77.3 | -32.8 | 173.8 | -70.7 | 174.5 | 71.3 | 0 | 0 | 112.7 | L617 E618 E619 T624 R625 | L617-M621 HydrophobicContact CG-SD 4.39Å; L617-M621 WeakPolarHBondContact O-CB 3.32Å; L617-M621 VanDerWaalsContact O-CG 3.27Å; L617-M621 WeakPolarHBondContact O-CG 3.45Å; L617-M621 PolarHBondContact O-N 3.36Å; E618-M621 CarbonylContact O-C 3.59Å; E618-M621 PolarHBondContact O-N 3.48Å; E619-M621 VanDerWaalsContact C-N 3.26Å; E619-M621 PolarHBondContact O-N 2.79Å; M621-T624 WeakPolarHBondContact CA-OG1 3.31Å; M621-T624 PolarHBondContact O-OG1 3.5Å; M621-R625 WeakPolarHBondContact O-CB 3.32Å; M621-R625 WeakPolarHBondContact O-CG 3.25Å; M621-R625 PolarHBondContact O-N 2.8Å |
| 622 | K | 85.6 | Confident | 73.6 | Confident | 119 Ų | 119 | 134.1 Ų | 134.1 | 52% | 0.517 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -71 | -44.9 | 177 | -85.2 | 169.1 | 166.7 | 169.1 | 0 | 111 | E618 E619 T624 R625 R626 | E618-K622 HydrophobicContact CG-CD 4.31Å; E618-K622 VanDerWaalsContact O-CB 3.29Å; E618-K622 WeakPolarHBondContact O-CB 3.39Å; E618-K622 VanDerWaalsContact O-CG 3.32Å; E618-K622 WeakPolarHBondContact O-CG 3.42Å; E618-K622 PolarHBondContact O-N 3.4Å; E618-K622 WeakPolarHBondContact OE1-CE 3.45Å; E618-K622 IonicContact OE1-NZ 2.87Å; E618-K622 PolarHBondContact OE1-NZ 2.9Å; E619-K622 PolarHBondContact O-N 3.16Å; K622-T624 PolarHBondContact O-N 3.38Å; K622-R625 PolarHBondContact O-N 3.33Å; K622-R626 VanDerWaalsContact O-CB 3.24Å; K622-R626 WeakPolarHBondContact O-CB 3.12Å; K622-R626 VanDerWaalsContact O-CG 3.3Å; K622-R626 WeakPolarHBondContact O-CG 3.25Å; K622-R626 PolarHBondContact O-N 3.31Å |
| 623 | R | 80.1 | Confident | 71.1 | Confident | 175 Ų | 175 | 136.9 Ų | 136.9 | 66% | 0.66 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -66.9 | -22.2 | 176.2 | 77.1 | -172.4 | -171.9 | 174.2 | 5.9 | 113.5 | E619 I620 | E619-R623 WeakPolarHBondContact O-CG 3.44Å; E619-R623 PolarHBondContact O-N 3.21Å; I620-R623 WeakPolarHBondContact O-CG 3.45Å |
| 624 | T | 76.4 | Confident | 68.6 | Low | 93 Ų | 93 | 135.4 Ų | 135.4 | 57% | 0.571 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -96.6 | -14.2 | 174.6 | 55.2 | 0 | 0 | 0 | 0 | 114.2 | I620 M621 K622 | I620-T624 WeakPolarHBondContact O-CG2 3.43Å; I620-T624 PolarHBondContact O-N 3.32Å; I620-T624 PolarHBondContact O-OG1 3.05Å; M621-T624 WeakPolarHBondContact CA-OG1 3.31Å; M621-T624 PolarHBondContact O-OG1 3.5Å; K622-T624 PolarHBondContact O-N 3.38Å |
| 625 | R | 71.8 | Confident | 66 | Low | 188 Ų | 188 | 139.2 Ų | 139.2 | 71% | 0.709 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -100.8 | -17.7 | 173.1 | -75.3 | -178.6 | 162.6 | -176.3 | -5.8 | 114.8 | M621 K622 S627 | M621-R625 WeakPolarHBondContact O-CB 3.32Å; M621-R625 WeakPolarHBondContact O-CG 3.25Å; M621-R625 PolarHBondContact O-N 2.8Å; K622-R625 PolarHBondContact O-N 3.33Å; R625-S627 PolarHBondContact O-N 3.21Å |
| 626 | R | 58.9 | Low | 63.2 | Low | 223 Ų | 223 | 138 Ų | 138 | 84% | 0.842 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 6.1 | 178.6 | -79.8 | -77.6 | 176.1 | 157.5 | -3.7 | 114.4 | K622 | K622-R626 VanDerWaalsContact O-CB 3.24Å; K622-R626 WeakPolarHBondContact O-CB 3.12Å; K622-R626 VanDerWaalsContact O-CG 3.3Å; K622-R626 WeakPolarHBondContact O-CG 3.25Å; K622-R626 PolarHBondContact O-N 3.31Å |
| 627 | S | 53.6 | Low | 60.5 | Low | 92 Ų | 92 | 133.3 Ų | 133.3 | 64% | 0.643 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -19.5 | 178.8 | -55 | 0 | 0 | 0 | 0 | 114.2 | R625 | R625-S627 PolarHBondContact O-N 3.21Š|
| 628 | D | 54.1 | Low | 58.1 | Low | 139 Ų | 139 | 135.6 Ų | 135.6 | 74% | 0.743 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -137.1 | 112.6 | 178.2 | -90.4 | -59.4 | 0 | 0 | 0 | 111.6 | ||
| 629 | T | 49.3 | Very low | 55.7 | Low | 144 Ų | 144 | 136.8 Ų | 136.8 | 88% | 0.883 | 70% | 0.7 | S | S | * | * | 170.8 | 113.7 | 125.2 | 44 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 630 | S | 40.3 | Very low | 53.2 | Low | 114 Ų | 114 | 135.4 Ų | 135.4 | 80% | 0.797 | 71% | 0.71 | S | S | * | * | trans | -96 | -179 | 169.8 | 51.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 631 | D | 42.6 | Very low | 50.9 | Low | 144 Ų | 144 | 139.2 Ų | 139.2 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | trans | -53.1 | 138.1 | -177 | -56.7 | -103.6 | 0 | 0 | 0 | 115.2 | ||||
| 632 | K | 43.2 | Very low | 48.9 | Very low | 193 Ų | 193 | 140.3 Ų | 140.3 | 84% | 0.839 | 75% | 0.752 | S | S | * | * | -178.3 | 113.8 | 122.1 | -92.7 | 142.7 | -159.2 | 163.3 | 0 | 114.7 | |||||
| 633 | K | 37 | Very low | 47.3 | Very low | 188 Ų | 188 | 140.7 Ų | 140.7 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | 38.3 | 129.4 | 110.2 | -171.8 | 168.8 | 178.8 | 175.8 | 0 | 119.9 | |||||
| 634 | V | 36.3 | Very low | 45 | Very low | 116 Ų | 116 | 136 Ų | 136 | 70% | 0.703 | 77% | 0.772 | S | S | * | * | trans | 107 | 120.5 | 142.3 | 138 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 635 | R | 39.7 | Very low | 43.3 | Very low | 215 Ų | 215 | 137.2 Ų | 137.2 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | 60.8 | 115.4 | 148.2 | -63.4 | -68.6 | 176.5 | 119.4 | -3.1 | 123.3 | ||||
| 636 | T | 34 | Very low | 42.3 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | 47.1 | 122.6 | 109.2 | -45.6 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 637 | G | 35.3 | Very low | 41 | Very low | 69 Ų | 69 | 128.2 Ų | 128.2 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | 170.8 | 72.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 638 | D | 38.3 | Very low | 40.4 | Very low | 151 Ų | 151 | 128.1 Ų | 128.1 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | trans | 40.8 | 158.2 | 145.1 | -57 | -19.3 | 0 | 0 | 0 | 125.9 | ||||
| 639 | S | 36.6 | Very low | 40.3 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | 87.6 | 86.2 | 148.9 | -62.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 640 | A | 37.3 | Very low | 39.6 | Very low | 96 Ų | 96 | 124.7 Ų | 124.7 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | 77.4 | 174.5 | 111.8 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 641 | V | 36.9 | Very low | 39.3 | Very low | 140 Ų | 140 | 123.6 Ų | 123.6 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | 82.3 | 93.9 | 173.3 | -167.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 642 | S | 39.7 | Very low | 39 | Very low | 108 Ų | 108 | 122.4 Ų | 122.4 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -83.7 | 168.3 | 141.3 | -127.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 643 | P | 52.4 | Low | 39.1 | Very low | 127 Ų | 127 | 118.3 Ų | 118.3 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | cis | -140.1 | -168.4 | 25.3 | 42.9 | -23.8 | 0 | 0 | 0 | 115.2 | ||||
| 644 | G | 31.6 | Very low | 39.8 | Very low | 76 Ų | 76 | 115 Ų | 115 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | trans | 155.2 | 86.9 | 155.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 645 | S | 39.8 | Very low | 39.9 | Very low | 120 Ų | 120 | 117 Ų | 117 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | trans | -97.5 | 153.3 | 148 | -64.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 646 | P | 50.7 | Low | 39.7 | Very low | 122 Ų | 122 | 112.1 Ų | 112.1 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | -149.6 | 157.6 | 109.9 | 37.9 | -22.4 | 0 | 0 | 0 | 117.1 | |||||
| 647 | A | 32.5 | Very low | 39.7 | Very low | 99 Ų | 99 | 113.1 Ų | 113.1 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | 62.4 | 121.8 | 142.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 648 | A | 40.8 | Very low | 39.7 | Very low | 90 Ų | 90 | 114.9 Ų | 114.9 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | trans | -84.1 | -176.7 | 144.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 649 | P | 52.4 | Low | 39.6 | Very low | 121 Ų | 121 | 114.8 Ų | 114.8 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | -155.3 | 176.4 | 90.9 | 41.2 | -23.3 | 0 | 0 | 0 | 117.1 | |||||
| 650 | A | 33.9 | Very low | 39.6 | Very low | 90 Ų | 90 | 113.4 Ų | 113.4 | 74% | 0.744 | 76% | 0.761 | S | S | * | * | trans | 68.8 | 126.9 | 153.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 651 | A | 34.9 | Very low | 39.7 | Very low | 91 Ų | 91 | 116.3 Ų | 116.3 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | cis | 66.8 | 136.1 | 23.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 652 | T | 35.9 | Very low | 39.9 | Very low | 120 Ų | 120 | 117.4 Ų | 117.4 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | 174.4 | 125.8 | 71.3 | -75.7 | 0 | 0 | 0 | 0 | 105.4 | |||||
| 653 | V | 46.2 | Very low | 41.1 | Very low | 107 Ų | 107 | 117.1 Ų | 117.1 | 65% | 0.648 | 75% | 0.749 | S | S | * | * | 60.6 | 130.2 | 91.2 | 170.2 | 0 | 0 | 0 | 0 | 112.6 | Q655 | V653-Q655 HydrophobicContact CG1-CB 3.97Š| |||
| 654 | P | 50.7 | Low | 40.1 | Very low | 119 Ų | 119 | 117.8 Ų | 117.8 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | -139.9 | 167.1 | 66.9 | 37.9 | -18.7 | 0 | 0 | 0 | 116.1 | |||||
| 655 | Q | 37.9 | Very low | 40.4 | Very low | 157 Ų | 157 | 120.8 Ų | 120.8 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | cis | 94.1 | 151.9 | 11.7 | -151 | -165.9 | 68.8 | 0 | 0 | 117 | V653 | V653-Q655 HydrophobicContact CG1-CB 3.97Š| ||
| 656 | T | 36.1 | Very low | 40.5 | Very low | 112 Ų | 112 | 119.9 Ų | 119.9 | 69% | 0.687 | 74% | 0.737 | S | S | * | * | trans | 83.8 | 145.1 | 170.4 | 82 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 657 | N | 35 | Very low | 40.7 | Very low | 147 Ų | 147 | 119.6 Ų | 119.6 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | cis | -160.2 | 179.4 | -8.6 | -135.3 | -20.3 | 0 | 0 | 0 | 115.9 | ||||
| 658 | S | 33.3 | Very low | 41.1 | Very low | 105 Ų | 105 | 123.3 Ų | 123.3 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | trans | 73.6 | 130.3 | 163.5 | 61.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 659 | N | 36.3 | Very low | 41.9 | Very low | 150 Ų | 150 | 124.2 Ų | 124.2 | 80% | 0.802 | 73% | 0.733 | S | S | * | * | cis | 91.3 | 130.4 | 31.5 | -169.3 | 52 | 0 | 0 | 0 | 112.4 | ||||
| 660 | S | 38.3 | Very low | 40.9 | Very low | 85 Ų | 85 | 123.5 Ų | 123.5 | 59% | 0.594 | 73% | 0.731 | S | S | * | * | cis | -153 | -161.7 | 25.3 | 62.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 661 | H | 38 | Very low | 40.7 | Very low | 156 Ų | 156 | 125.7 Ų | 125.7 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | cis | -167.6 | 150.9 | 1.6 | -123.7 | -11 | 0 | 0 | 0 | 112.9 | ||||
| 662 | Q | 41.5 | Very low | 40.6 | Very low | 163 Ų | 163 | 127.7 Ų | 127.7 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | trans | 69.3 | 157.1 | 140.6 | -68.1 | -71.1 | -85.5 | 0 | 0 | 124.3 | ||||
| 663 | P | 64.4 | Low | 41.4 | Very low | 102 Ų | 102 | 127.2 Ų | 127.2 | 66% | 0.662 | 74% | 0.737 | S | S | * | * | trans | -146.4 | -169.8 | -143.2 | 39.7 | -15 | 0 | 0 | 0 | 119.5 | ||||
| 664 | D | 31.7 | Very low | 40.6 | Very low | 141 Ų | 141 | 129.7 Ų | 129.7 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | trans | 107.8 | 151.2 | 133.8 | -139.6 | 5.8 | 0 | 0 | 0 | 123.9 | ||||
| 665 | L | 39.2 | Very low | 39.7 | Very low | 139 Ų | 139 | 128.9 Ų | 128.9 | 73% | 0.728 | 74% | 0.743 | S | S | * | * | trans | 64.2 | 112.6 | 163.4 | -56.5 | -175.5 | 0 | 0 | 0 | 124.7 | ||||
| 666 | S | 40 | Very low | 39.5 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | 25 | 173.3 | 124.9 | 78.3 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 667 | P | 55.5 | Low | 40.3 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 75% | 0.747 | 75% | 0.752 | S | S | * | * | cis | -140.3 | -176 | 6.6 | 43 | -22.6 | 0 | 0 | 0 | 119.2 | ||||
| 668 | H | 42.1 | Very low | 40.2 | Very low | 178 Ų | 178 | 130.2 Ų | 130.2 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | trans | -43.9 | 176.1 | 172.5 | -69.6 | -54.9 | 0 | 0 | 0 | 120.2 | ||||
| 669 | P | 57.4 | Low | 40.2 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | cis | -156.3 | 169.4 | 35.5 | 44.7 | -22.2 | 0 | 0 | 0 | 124.3 | ||||
| 670 | S | 31.4 | Very low | 40.2 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | trans | 64.2 | 149.9 | 147.7 | 58 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 671 | T | 28 | Very low | 40.1 | Very low | 137 Ų | 137 | 140.1 Ų | 140.1 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | cis | -153.6 | 164.2 | 10.8 | -19.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 672 | T | 34.5 | Very low | 40 | Very low | 132 Ų | 132 | 139.3 Ų | 139.3 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | trans | -99.5 | -171.7 | 173.1 | 21.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 673 | P | 51.3 | Low | 39.6 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | cis | -121.9 | -168.4 | -0.5 | 32.2 | -8.3 | 0 | 0 | 0 | 113.4 | ||||
| 674 | L | 30.6 | Very low | 38.6 | Very low | 159 Ų | 159 | 134.7 Ų | 134.7 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | 166 | 151.8 | 64.8 | -171.9 | 74.8 | 0 | 0 | 0 | 108.1 | |||||
| 675 | S | 30.5 | Very low | 38.7 | Very low | 102 Ų | 102 | 137.3 Ų | 137.3 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | cis | -159.7 | -173.3 | -24.7 | 64.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 676 | H | 34.8 | Very low | 38.8 | Very low | 178 Ų | 178 | 138.7 Ų | 138.7 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | -102.5 | -178.6 | 167.2 | -99.5 | -60.1 | 0 | 0 | 0 | 110.1 | ||||
| 677 | P | 51.6 | Low | 39.2 | Very low | 121 Ų | 121 | 142.5 Ų | 142.5 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | cis | -147.6 | -162.9 | 28.4 | 47 | -25.1 | 0 | 0 | 0 | 118.9 | ||||
| 678 | D | 33.5 | Very low | 38.3 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -40.7 | 173.6 | 179.7 | -108.6 | -52 | 0 | 0 | 0 | 125.4 | ||||
| 679 | Q | 34.1 | Very low | 38.1 | Very low | 159 Ų | 159 | 141 Ų | 141 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | trans | 88.9 | 110.7 | 146 | -85.8 | 172.5 | 104.3 | 0 | 0 | 124.2 | ||||
| 680 | R | 36.3 | Very low | 36.9 | Very low | 228 Ų | 228 | 141.2 Ų | 141.2 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | 46.2 | 155.1 | 118.1 | -70.9 | -170.5 | 176.6 | -128.2 | 0.4 | 124 | |||||
| 681 | E | 36.5 | Very low | 37.4 | Very low | 162 Ų | 162 | 143.9 Ų | 143.9 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | trans | 93.7 | 135.6 | 156.6 | -62.4 | -143.9 | 102.6 | 0 | 0 | 120 | ||||
| 682 | N | 35.8 | Very low | 38.2 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | trans | 19.5 | 137.4 | 140.1 | -33.9 | -32 | 0 | 0 | 0 | 118.5 | ||||
| 683 | G | 33.1 | Very low | 38.2 | Very low | 71 Ų | 71 | 141.2 Ų | 141.2 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | cis | 141.5 | 132.5 | 2.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 684 | A | 41.9 | Very low | 37.4 | Very low | 98 Ų | 98 | 144.4 Ų | 144.4 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | 55.5 | 123.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 685 | F | 34.1 | Very low | 37.3 | Very low | 196 Ų | 196 | 141.1 Ų | 141.1 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -151.7 | 173 | 131.1 | -120.8 | -82.6 | 0 | 0 | 0 | 109.8 | ||||
| 686 | E | 42.6 | Very low | 37.7 | Very low | 167 Ų | 167 | 146.6 Ų | 146.6 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | trans | -66 | 161.6 | -171.2 | -62.4 | 160.3 | 122.3 | 0 | 0 | 112.3 | ||||
| 687 | E | 47.5 | Very low | 37.7 | Very low | 183 Ų | 183 | 145 Ų | 145 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | -162.3 | 139.7 | 70 | -171.6 | 166.6 | -151.1 | 0 | 0 | 115.9 | |||||
| 688 | V | 37.7 | Very low | 36.8 | Very low | 114 Ų | 114 | 144 Ų | 144 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | trans | 6.8 | 111.1 | 156 | -173.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 689 | I | 37.8 | Very low | 38 | Very low | 147 Ų | 147 | 142.3 Ų | 142.3 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | 31.7 | 117.9 | 124.8 | -49.1 | 163.1 | 0 | 0 | 0 | 118.8 | |||||
| 690 | S | 31.5 | Very low | 38.8 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | -174.9 | 132.1 | 119 | -82.8 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 691 | L | 41.9 | Very low | 38.6 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | trans | -91.3 | 139.7 | 162.4 | -74.9 | 169.1 | 0 | 0 | 0 | 110.1 | S693 | L691-S693 PolarHBondContact O-N 2.94Š| ||
| 692 | P | 44.1 | Very low | 38.5 | Very low | 130 Ų | 130 | 133.4 Ų | 133.4 | 84% | 0.844 | 76% | 0.761 | S | S | * | * | trans | -68.5 | 107.1 | 157.5 | -17.3 | 32.1 | 0 | 0 | 0 | 110.6 | ||||
| 693 | S | 35.5 | Very low | 38.4 | Very low | 84 Ų | 84 | 135.5 Ų | 135.5 | 59% | 0.587 | 77% | 0.766 | S | S | * | * | trans | -78.9 | 172.8 | 150.6 | -66.1 | 0 | 0 | 0 | 0 | 108.2 | L691 | L691-S693 PolarHBondContact O-N 2.94Š| ||
| 694 | H | 33.1 | Very low | 38.6 | Very low | 178 Ų | 178 | 141 Ų | 141 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | cis | -161.5 | 171.4 | 39.4 | -54.1 | -93.7 | 0 | 0 | 0 | 107.3 | ||||
| 695 | S | 29.7 | Very low | 38.1 | Very low | 90 Ų | 90 | 143.3 Ų | 143.3 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | cis | -162.2 | 140.5 | 0.3 | -118.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 696 | R | 37.7 | Very low | 38 | Very low | 217 Ų | 217 | 141.2 Ų | 141.2 | 82% | 0.819 | 76% | 0.76 | S | S | * | * | 60.2 | 132.6 | 92.1 | -70.2 | -178.6 | 174.4 | -120.6 | -1.1 | 114.8 | |||||
| 697 | L | 35.3 | Very low | 37.4 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | cis | -155.8 | -176.3 | 6.7 | -90.6 | 148.4 | 0 | 0 | 0 | 107.8 | ||||
| 698 | S | 33.3 | Very low | 36.7 | Very low | 99 Ų | 99 | 138.9 Ų | 138.9 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | cis | -163 | 164.7 | 5.8 | -131.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 699 | P | 58.3 | Low | 36.4 | Very low | 110 Ų | 110 | 138 Ų | 138 | 71% | 0.714 | 74% | 0.744 | S | S | * | * | trans | -89 | -170.5 | 162.1 | 40.8 | -37.2 | 0 | 0 | 0 | 111.6 | ||||
| 700 | P | 51 | Low | 36.1 | Very low | 100 Ų | 100 | 138.2 Ų | 138.2 | 65% | 0.649 | 74% | 0.742 | S | S | * | * | cis | -144.1 | -164.4 | 17 | 47 | -26.6 | 0 | 0 | 0 | 116.9 | ||||
| 701 | E | 33 | Very low | 36.3 | Very low | 192 Ų | 192 | 140.4 Ų | 140.4 | 90% | 0.897 | 74% | 0.74 | S | S | * | * | trans | 58 | 145.5 | 164.8 | -65.4 | 162 | 174.2 | 0 | 0 | 115.8 | ||||
| 702 | G | 32.6 | Very low | 35.9 | Very low | 70 Ų | 70 | 141 Ų | 141 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | cis | 166.8 | -176.6 | 8.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 703 | E | 34.4 | Very low | 35.4 | Very low | 181 Ų | 181 | 142.9 Ų | 142.9 | 85% | 0.846 | 74% | 0.736 | S | S | * | * | cis | -156.2 | 147.4 | -11.1 | -57 | -169.4 | 95.6 | 0 | 0 | 107.3 | ||||
| 704 | E | 37.8 | Very low | 35.2 | Very low | 188 Ų | 188 | 144.2 Ų | 144.2 | 88% | 0.879 | 75% | 0.745 | S | S | * | * | trans | 61.1 | 161 | 168.8 | -62 | 175.5 | 178.8 | 0 | 0 | 117.5 | ||||
| 705 | E | 32.1 | Very low | 35.2 | Very low | 146 Ų | 146 | 146 Ų | 146 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | cis | -153.8 | 170.9 | -5 | -142.3 | -166.2 | 174.9 | 0 | 0 | 110 | ||||
| 706 | Q | 31.6 | Very low | 35.5 | Very low | 152 Ų | 152 | 147.9 Ų | 147.9 | 71% | 0.71 | 76% | 0.758 | S | S | * | * | trans | 63.4 | 146.7 | 158.9 | -64.2 | 168.9 | 44.2 | 0 | 0 | 120.1 | ||||
| 707 | Q | 30.3 | Very low | 35.3 | Very low | 153 Ų | 153 | 142.6 Ų | 142.6 | 72% | 0.715 | 75% | 0.754 | S | S | * | * | cis | -157.5 | 172.8 | -29.2 | -164.6 | 143.8 | 6.2 | 0 | 0 | 110.5 | ||||
| 708 | E | 32.8 | Very low | 35.2 | Very low | 147 Ų | 147 | 142 Ų | 142 | 69% | 0.687 | 76% | 0.756 | S | S | * | * | trans | -43.3 | 167 | 164.5 | -62.7 | 152.5 | 126.5 | 0 | 0 | 115 | ||||
| 709 | T | 29.6 | Very low | 35.4 | Very low | 95 Ų | 95 | 143.7 Ų | 143.7 | 58% | 0.583 | 76% | 0.762 | S | S | * | * | cis | -162.2 | 172.3 | 5.7 | 2.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 710 | E | 33.2 | Very low | 34.4 | Very low | 153 Ų | 153 | 142.5 Ų | 142.5 | 72% | 0.715 | 76% | 0.762 | S | S | * | * | trans | 58.1 | 167.5 | 146.7 | -68.7 | 141.1 | -166.2 | 0 | 0 | 117.8 | ||||
| 711 | E | 35 | Very low | 33.6 | Very low | 160 Ų | 160 | 146.3 Ų | 146.3 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | cis | -136 | 135.9 | -36.3 | -108.2 | 164.9 | -175.5 | 0 | 0 | 104.2 | ||||
| 712 | E | 33.3 | Very low | 33.9 | Very low | 171 Ų | 171 | 146.1 Ų | 146.1 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | 62.5 | 152 | 91.8 | -125.9 | 176.9 | -149.6 | 0 | 0 | 116.9 | |||||
| 713 | E | 34.7 | Very low | 34.4 | Very low | 170 Ų | 170 | 149.5 Ų | 149.5 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | 36.5 | 104.7 | 167.7 | -52.3 | -150.7 | 133.7 | 0 | 0 | 121.6 | ||||
| 714 | S | 31.3 | Very low | 34.8 | Very low | 113 Ų | 113 | 147.3 Ų | 147.3 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | 177.7 | 81.5 | 125.4 | 42.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 715 | K | 33 | Very low | 35.4 | Very low | 215 Ų | 215 | 142.7 Ų | 142.7 | 94% | 0.935 | 76% | 0.764 | S | S | * | * | trans | -123.6 | 67.6 | 160.7 | -80.4 | -175.9 | 178 | 170 | 0 | 111.6 | ||||
| 716 | V | 34.4 | Very low | 35.9 | Very low | 129 Ų | 129 | 142.5 Ų | 142.5 | 78% | 0.782 | 77% | 0.766 | S | S | * | * | trans | -61.1 | 133.7 | 167 | 177.8 | 0 | 0 | 0 | 0 | 109.5 | V718 | V716-V718 PolarHBondContact O-N 2.87Å; V716-V718 VanDerWaalsContact O-N 3.13Å | ||
| 717 | S | 33.9 | Very low | 36.2 | Very low | 106 Ų | 106 | 143.7 Ų | 143.7 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | trans | -74.8 | 96.9 | -177.6 | 40.6 | 0 | 0 | 0 | 0 | 112.3 | V719 | S717-V719 PolarHBondContact O-N 3.11Å; S717-V719 VanDerWaalsContact O-N 3.16Å | ||
| 718 | V | 34.4 | Very low | 36.6 | Very low | 131 Ų | 131 | 144.5 Ų | 144.5 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | -74.8 | 102.6 | 168.4 | 180 | 0 | 0 | 0 | 0 | 109.5 | V716 A720 | V716-V718 PolarHBondContact O-N 2.87Å; V716-V718 VanDerWaalsContact O-N 3.13Å; V718-A720 PolarHBondContact O-N 3.18Å | ||
| 719 | V | 37.3 | Very low | 36.7 | Very low | 136 Ų | 136 | 143.6 Ų | 143.6 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | -71.7 | 104.3 | 170.7 | 177.5 | 0 | 0 | 0 | 0 | 109.1 | S717 | S717-V719 PolarHBondContact O-N 3.11Å; S717-V719 VanDerWaalsContact O-N 3.16Å | ||
| 720 | A | 36.5 | Very low | 37 | Very low | 85 Ų | 85 | 147.1 Ų | 147.1 | 70% | 0.702 | 80% | 0.799 | S | S | * | * | trans | -101.8 | 113.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | V718 | V718-A720 PolarHBondContact O-N 3.18Š| ||
| 721 | F | 34.2 | Very low | 37.2 | Very low | 180 Ų | 180 | 145.4 Ų | 145.4 | 79% | 0.789 | 80% | 0.804 | S | S | * | * | trans | -76.4 | 131.7 | 177.7 | -171.4 | -96.7 | 0 | 0 | 0 | 110.7 | E723 | F721-E723 HydrophobicContact CD1-CB 4.29Å; F721-E723 HydrophobicContact CE1-CB 4.34Å; F721-E723 PolarHBondContact O-N 3.42Å | ||
| 722 | M | 40.5 | Very low | 37.2 | Very low | 188 Ų | 188 | 141.8 Ų | 141.8 | 93% | 0.926 | 80% | 0.802 | S | S | * | * | trans | -82.9 | 98.2 | 179.8 | -71.1 | -179.7 | 66.4 | 0 | 0 | 111.4 | ||||
| 723 | E | 41.7 | Very low | 37.5 | Very low | 140 Ų | 140 | 140.3 Ų | 140.3 | 65% | 0.654 | 80% | 0.804 | S | S | * | * | trans | -130.7 | 128.2 | 162.2 | -146.2 | -163.6 | 125.6 | 0 | 0 | 110.7 | F721 | F721-E723 HydrophobicContact CD1-CB 4.29Å; F721-E723 HydrophobicContact CE1-CB 4.34Å; F721-E723 PolarHBondContact O-N 3.42Å | ||
| 724 | N | 42.4 | Very low | 37.9 | Very low | 136 Ų | 136 | 141.7 Ų | 141.7 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 54.6 | 84.8 | 170.9 | -50.6 | -47.1 | 0 | 0 | 0 | 116 | L726 | N724-L726 PolarHBondContact O-N 3.3Š|
| 725 | G | 51.4 | Low | 38.1 | Very low | 91 Ų | 91 | 143 Ų | 143 | 94% | 0.938 | 81% | 0.808 | S | S | * | * | trans | -62.2 | 107.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 726 | L | 42.3 | Very low | 38.3 | Very low | 141 Ų | 141 | 140 Ų | 140 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | trans | -147.6 | 104.2 | 164.2 | -171.9 | 69.7 | 0 | 0 | 0 | 110.6 | N724 K728 | N724-L726 PolarHBondContact O-N 3.3Å; L726-K728 PolarHBondContact O-N 2.95Å | ||
| 727 | L | 38.8 | Very low | 38.4 | Very low | 177 Ų | 177 | 139.4 Ų | 139.4 | 93% | 0.927 | 80% | 0.803 | S | S | * | * | trans | -69.8 | 126.8 | 176.3 | -76.7 | 166.1 | 0 | 0 | 0 | 111.4 | ||||
| 728 | K | 37.2 | Very low | 38.7 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 74% | 0.739 | 81% | 0.808 | S | S | * | * | trans | -140.6 | 119.9 | 160 | -73 | -173.9 | 177.4 | 179.9 | 0 | 109.1 | L726 | L726-K728 PolarHBondContact O-N 2.95Š| ||
| 729 | P | 36.1 | Very low | 38.8 | Very low | 128 Ų | 128 | 140.7 Ų | 140.7 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | trans | -72.7 | 139 | 167.6 | 31.1 | -32.5 | 0 | 0 | 0 | 109.6 | ||||
| 730 | L | 35.9 | Very low | 38.8 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | trans | -121.9 | 115.8 | 165 | -74.7 | 175.7 | 0 | 0 | 0 | 108.5 | ||||
| 731 | S | 37.4 | Very low | 38.8 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -94.2 | 166.4 | 165.6 | 48.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 732 | A | 34.3 | Very low | 39.9 | Very low | 85 Ų | 85 | 138.7 Ų | 138.7 | 70% | 0.702 | 81% | 0.805 | S | S | * | * | trans | 66.7 | 119.1 | -160.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 733 | V | 39.2 | Very low | 39.9 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | cis | 58.6 | 82.7 | 19.6 | -163.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 734 | E | 43.3 | Very low | 39.9 | Very low | 198 Ų | 198 | 136.1 Ų | 136.1 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | trans | -147.7 | 149.6 | 139.7 | -124.6 | 165.3 | -153.3 | 0 | 0 | 109.3 | ||||
| 735 | D | 36.1 | Very low | 39.9 | Very low | 140 Ų | 140 | 138 Ų | 138 | 75% | 0.749 | 84% | 0.838 | S | S | * | * | trans | -107.3 | 171.6 | -145.4 | -144.9 | -24 | 0 | 0 | 0 | 113.7 | ||||
| 736 | L | 37.6 | Very low | 39.3 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 81% | 0.806 | 83% | 0.833 | S | S | * | * | trans | 53 | 113.9 | 158 | -58.8 | 172 | 0 | 0 | 0 | 119.5 | ||||
| 737 | S | 35.9 | Very low | 39.1 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | -174.6 | 141.4 | 97.7 | -172.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 738 | A | 39.3 | Very low | 39.1 | Very low | 102 Ų | 102 | 138.3 Ų | 138.3 | 84% | 0.843 | 83% | 0.833 | S | S | * | * | trans | -113 | 118.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 739 | Q | 36.9 | Very low | 39.3 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 76% | 0.762 | 84% | 0.838 | S | S | * | * | trans | -145.2 | 121.9 | 165.7 | -162 | 151.3 | 18.5 | 0 | 0 | 113.7 | ||||
| 740 | Q | 36.9 | Very low | 39.5 | Very low | 168 Ų | 168 | 136.9 Ų | 136.9 | 79% | 0.785 | 84% | 0.839 | S | S | * | * | trans | 10.9 | 128 | 146.7 | -64.4 | 163.9 | -40.2 | 0 | 0 | 118.9 | ||||
| 741 | G | 37.3 | Very low | 39.7 | Very low | 67 Ų | 67 | 134.7 Ų | 134.7 | 69% | 0.691 | 84% | 0.835 | S | S | * | * | trans | -72.2 | 178.9 | 143.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 742 | P | 57 | Low | 39.9 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 81% | 0.805 | 84% | 0.837 | S | S | * | * | cis | -148.2 | -177.8 | 41.2 | 43.1 | -24 | 0 | 0 | 0 | 117.2 | ||||
| 743 | D | 41.2 | Very low | 40.3 | Very low | 150 Ų | 150 | 140 Ų | 140 | 80% | 0.802 | 85% | 0.848 | S | S | * | * | trans | 78.8 | 157.3 | 142.1 | -134.1 | -7.5 | 0 | 0 | 0 | 122.3 | ||||
| 744 | V | 41.8 | Very low | 40.4 | Very low | 124 Ų | 124 | 140 Ų | 140 | 75% | 0.752 | 85% | 0.847 | S | S | * | * | trans | 38.9 | 106.8 | 166.9 | -166.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 745 | A | 41.3 | Very low | 40.1 | Very low | 175 Ų | 175 | 134.7 Ų | 134.7 | 100% | 1.446 | 84% | 0.84 | S | S | * | * | -161.6 | 0 | 126.6 | 0 | 0 | 0 | 0 | 0 | 111.6 |
Retrieved 745 of 745 residues in 133.7 ms
(Link to these results)