| 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 | 36.7 | Very low | 37.1 | Very low | 253 Ų | 253 | 144.8 Ų | 144.8 | 100% | 1.246 | 87% | 0.872 | S | S | * | * | 0 | 155.1 | 0 | -73.1 | 175.1 | 170.4 | 0 | 0 | 108.5 | |||||
| 2 | A | 38.4 | Very low | 37.3 | Very low | 94 Ų | 94 | 144.4 Ų | 144.4 | 78% | 0.777 | 87% | 0.871 | S | S | * | * | trans | -98.3 | 156.8 | -171 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 3 | K | 37.2 | Very low | 37 | Very low | 208 Ų | 208 | 139.3 Ų | 139.3 | 90% | 0.904 | 87% | 0.866 | S | S | * | * | -166.9 | 121.9 | 122.3 | -103.6 | 162.3 | -175.5 | -178.9 | 0 | 111.3 | |||||
| 4 | T | 42.9 | Very low | 36.7 | Very low | 133 Ų | 133 | 140.3 Ų | 140.3 | 82% | 0.816 | 86% | 0.855 | S | S | * | * | trans | -82.6 | 161.8 | 157 | 44.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 5 | N | 35.9 | Very low | 37 | Very low | 173 Ų | 173 | 141.3 Ų | 141.3 | 93% | 0.925 | 84% | 0.843 | S | S | * | * | trans | -147.3 | 138.5 | 159.9 | -104.3 | -8.8 | 0 | 0 | 0 | 108.8 | ||||
| 6 | A | 34.3 | Very low | 37.1 | Very low | 99 Ų | 99 | 143.2 Ų | 143.2 | 82% | 0.818 | 84% | 0.843 | S | S | * | * | trans | -132.4 | 141.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 7 | S | 35.6 | Very low | 37.4 | Very low | 133 Ų | 133 | 140 Ų | 140 | 93% | 0.93 | 84% | 0.837 | S | S | * | * | trans | -84.7 | 142.7 | 178.2 | -66.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 8 | S | 33.8 | Very low | 38.8 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | trans | -124.2 | 154.4 | 169.5 | -175.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 9 | I | 38.2 | Very low | 39.5 | Very low | 169 Ų | 169 | 138.4 Ų | 138.4 | 87% | 0.867 | 83% | 0.834 | S | S | * | * | trans | -120.4 | 141.9 | 172 | -67.1 | -179.8 | 0 | 0 | 0 | 108.5 | ||||
| 10 | A | 37.7 | Very low | 39.3 | Very low | 87 Ų | 87 | 137.1 Ų | 137.1 | 72% | 0.719 | 83% | 0.831 | S | S | * | * | trans | -123.5 | 178.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 11 | V | 36.9 | Very low | 39.1 | Very low | 129 Ų | 129 | 137.9 Ų | 137.9 | 78% | 0.782 | 83% | 0.829 | S | S | * | * | cis | -160.9 | 165.6 | -1.3 | 90.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 12 | T | 40 | Very low | 38.9 | Very low | 140 Ų | 140 | 131.5 Ų | 131.5 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | 147.1 | 140.9 | 154.1 | 39.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 13 | G | 33.4 | Very low | 38.6 | Very low | 78 Ų | 78 | 134.8 Ų | 134.8 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | cis | 130.1 | 125.5 | 6.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 14 | E | 32.8 | Very low | 38.6 | Very low | 153 Ų | 153 | 132 Ų | 132 | 72% | 0.715 | 80% | 0.802 | S | S | * | * | cis | -157.2 | 152.9 | 3.1 | -161 | -154.4 | 137.8 | 0 | 0 | 111.5 | ||||
| 15 | K | 40.8 | Very low | 39.1 | Very low | 155 Ų | 155 | 131.4 Ų | 131.4 | 67% | 0.674 | 80% | 0.801 | S | S | * | * | trans | 77.1 | 151 | 147.6 | -118.3 | -170.5 | -162.5 | 97.4 | 0 | 124.1 | ||||
| 16 | M | 38.9 | Very low | 39 | Very low | 172 Ų | 172 | 128 Ų | 128 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | trans | 82.5 | 157.6 | 164 | -58 | -46.8 | -156.8 | 0 | 0 | 120.5 | ||||
| 17 | A | 41.7 | Very low | 39 | Very low | 89 Ų | 89 | 130.7 Ų | 130.7 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | trans | -123.5 | 165.5 | -158.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 18 | P | 63 | Low | 38.9 | Very low | 121 Ų | 121 | 133.2 Ų | 133.2 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | trans | -91 | 162.4 | -159.1 | 36.6 | -37.2 | 0 | 0 | 0 | 115.2 | ||||
| 19 | P | 52.3 | Low | 39 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | -141.5 | -177.9 | 120.9 | 39.5 | -26.4 | 0 | 0 | 0 | 115.5 | |||||
| 20 | S | 35.4 | Very low | 39.6 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | -86.3 | -166.5 | -169.5 | -41.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 21 | I | 35.2 | Very low | 39.6 | Very low | 154 Ų | 154 | 133.2 Ų | 133.2 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | 98.4 | 103.4 | 167.2 | -56.5 | 174.5 | 0 | 0 | 0 | 113 | ||||
| 22 | T | 33.1 | Very low | 39.2 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 73% | 0.73 | 77% | 0.773 | S | S | * | * | 77.8 | 122.5 | 67.6 | -53.2 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 23 | L | 32.1 | Very low | 38.9 | Very low | 163 Ų | 163 | 130.4 Ų | 130.4 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | 175.9 | 156.7 | 126.2 | -95.3 | 169.3 | 0 | 0 | 0 | 115.1 | |||||
| 24 | L | 36.9 | Very low | 38.8 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | trans | -88.5 | 171.7 | 167.1 | -85.9 | 95.8 | 0 | 0 | 0 | 111.5 | ||||
| 25 | P | 53.5 | Low | 38.6 | Very low | 122 Ų | 122 | 133 Ų | 133 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | -141.7 | 118.3 | 102.2 | 32.9 | -17 | 0 | 0 | 0 | 113.4 | |||||
| 26 | D | 32.4 | Very low | 38.5 | Very low | 100 Ų | 100 | 131.2 Ų | 131.2 | 54% | 0.535 | 77% | 0.77 | S | S | . | * | 65.3 | 113.8 | 83.5 | -175 | 38.9 | 0 | 0 | 0 | 115.7 | |||||
| 27 | K | 34.6 | Very low | 38.5 | Very low | 156 Ų | 156 | 129.3 Ų | 129.3 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | -169.5 | 121.5 | 128.2 | -84.9 | -22.6 | 160 | -166 | 0 | 116.4 | |||||
| 28 | K | 33.3 | Very low | 38.1 | Very low | 186 Ų | 186 | 128.2 Ų | 128.2 | 81% | 0.809 | 77% | 0.768 | S | S | * | * | trans | 83.7 | 137.7 | 137.1 | -64.7 | 174.7 | -178.9 | -178.1 | 0 | 121 | ||||
| 29 | S | 36.9 | Very low | 37 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | -97 | -158.2 | -173.9 | -19.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 30 | P | 50.2 | Low | 36.1 | Very low | 116 Ų | 116 | 135 Ų | 135 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | cis | -139.1 | 167.9 | 6.6 | 42.2 | -24.4 | 0 | 0 | 0 | 118.1 | ||||
| 31 | T | 37.3 | Very low | 35.8 | Very low | 140 Ų | 140 | 133.1 Ų | 133.1 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | trans | -151.5 | 159.6 | 140.8 | 30.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 32 | N | 30.4 | Very low | 36.2 | Very low | 152 Ų | 152 | 135.3 Ų | 135.3 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -60.4 | 162.2 | -172.1 | -51.4 | -35.4 | 0 | 0 | 0 | 114.7 | ||||
| 33 | G | 32.7 | Very low | 36.3 | Very low | 58 Ų | 58 | 136.6 Ų | 136.6 | 60% | 0.598 | 79% | 0.788 | S | S | * | * | cis | 122.5 | 141.2 | 2.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 34 | H | 30.8 | Very low | 36.6 | Very low | 179 Ų | 179 | 135.2 Ų | 135.2 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | 71.4 | 144 | -178.3 | -45.2 | -67.9 | 0 | 0 | 0 | 116.1 | ||||
| 35 | S | 30 | Very low | 37.2 | Very low | 105 Ų | 105 | 133.7 Ų | 133.7 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | cis | -160.2 | 147.7 | -18.1 | -99.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 36 | S | 37.5 | Very low | 36.4 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -78.1 | 155.4 | 165.9 | -47.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 37 | P | 39.7 | Very low | 36.3 | Very low | 132 Ų | 132 | 135.8 Ų | 135.8 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | trans | -111.1 | 141.3 | 144.4 | -3.8 | 24 | 0 | 0 | 0 | 111.2 | ||||
| 38 | G | 33.5 | Very low | 36.3 | Very low | 65 Ų | 65 | 132.3 Ų | 132.3 | 67% | 0.67 | 80% | 0.799 | S | S | * | * | trans | -165.2 | 150.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 39 | R | 38.7 | Very low | 36.5 | Very low | 245 Ų | 245 | 131.5 Ų | 131.5 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | trans | 70.9 | 137.6 | -167.8 | -43.3 | 170 | 83.1 | -114.1 | 6.9 | 110.7 | ||||
| 40 | T | 33.7 | Very low | 36.9 | Very low | 147 Ų | 147 | 136 Ų | 136 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | cis | -95.6 | 170.4 | 24.7 | 53.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 41 | G | 30.4 | Very low | 36.4 | Very low | 73 Ų | 73 | 140.8 Ų | 140.8 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | cis | 175.4 | -172.1 | 45 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 42 | K | 43.2 | Very low | 36.6 | Very low | 200 Ų | 200 | 140 Ų | 140 | 87% | 0.87 | 80% | 0.803 | S | S | * | * | trans | -102.5 | 160.3 | -168.1 | -64.2 | 177.1 | -179 | 174.9 | 0 | 114.7 | ||||
| 43 | T | 34.6 | Very low | 36.9 | Very low | 145 Ų | 145 | 140.8 Ų | 140.8 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | trans | 98.2 | 130.7 | 159.6 | 66.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 44 | T | 38.3 | Very low | 37.2 | Very low | 135 Ų | 135 | 145.9 Ų | 145.9 | 83% | 0.828 | 81% | 0.812 | S | S | * | * | trans | -82.1 | 178.2 | 173.1 | 13.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 45 | P | 49.7 | Very low | 37.4 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | cis | -142.9 | 166.1 | 22.2 | 42.4 | -22.8 | 0 | 0 | 0 | 120 | ||||
| 46 | S | 36.2 | Very low | 37.8 | Very low | 106 Ų | 106 | 142.1 Ų | 142.1 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | trans | 45.3 | 117.9 | 139.8 | -164.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 47 | N | 30.8 | Very low | 37.7 | Very low | 161 Ų | 161 | 145.3 Ų | 145.3 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | -156.1 | 175.2 | 109.4 | -139.4 | -79.6 | 0 | 0 | 0 | 112.1 | |||||
| 48 | A | 35.3 | Very low | 37.7 | Very low | 83 Ų | 83 | 143.5 Ų | 143.5 | 69% | 0.686 | 80% | 0.804 | S | S | * | * | trans | -104 | 154.4 | -162.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 49 | E | 36.6 | Very low | 38.3 | Very low | 169 Ų | 169 | 145.5 Ų | 145.5 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -66.8 | 151.4 | 170.5 | -59.3 | -170.8 | 129.3 | 0 | 0 | 112.7 | ||||
| 50 | K | 46 | Very low | 38.7 | Very low | 210 Ų | 210 | 139.8 Ų | 139.8 | 91% | 0.913 | 80% | 0.802 | S | S | * | * | trans | -123 | 112 | 163.1 | -73.1 | -177.6 | 179 | 176.2 | 0 | 110.4 | ||||
| 51 | R | 39.5 | Very low | 39 | Very low | 216 Ų | 216 | 137.7 Ų | 137.7 | 82% | 0.815 | 79% | 0.793 | S | S | * | * | trans | -117.8 | 141.7 | 163.5 | -80.6 | -178.4 | 166 | 168.5 | -1.8 | 109.5 | ||||
| 52 | P | 41.4 | Very low | 39.4 | Very low | 125 Ų | 125 | 143 Ų | 143 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 133.9 | -179.9 | 27.9 | -34 | 0 | 0 | 0 | 110.7 | ||
| 53 | H | 36 | Very low | 39.3 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 78% | 0.778 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 132.3 | -178.4 | -149.2 | 80.4 | 0 | 0 | 0 | 110.2 | ||
| 54 | M | 38.9 | Very low | 39.8 | Very low | 164 Ų | 164 | 141.1 Ų | 141.1 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 130.1 | 168.2 | -76.3 | -79 | 94.5 | 0 | 0 | 109.1 | G56 | M54-G56 VanDerWaalsContact C-N 3.3Å; M54-G56 PolarHBondContact O-N 3.38Å |
| 55 | N | 36.5 | Very low | 39.9 | Very low | 138 Ų | 138 | 140.5 Ų | 140.5 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | trans | -72.8 | 79 | -176.2 | -74.1 | -3.1 | 0 | 0 | 0 | 112.1 | H57 | N55-H57 PolarHBondContact O-N 2.79Š| ||
| 56 | G | 37 | Very low | 39.7 | Very low | 68 Ų | 68 | 141.2 Ų | 141.2 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | -70.3 | 115.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | M54 A58 | M54-G56 VanDerWaalsContact C-N 3.3Å; M54-G56 PolarHBondContact O-N 3.38Å; G56-A58 PolarHBondContact O-N 3.15Å | ||
| 57 | H | 35.5 | Very low | 40 | Very low | 185 Ų | 185 | 142.1 Ų | 142.1 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | -69.1 | 99.9 | 174.3 | -74.2 | -81.9 | 0 | 0 | 0 | 109.9 | N55 | N55-H57 PolarHBondContact O-N 2.79Š| ||
| 58 | A | 39.7 | Very low | 40.6 | Very low | 95 Ų | 95 | 144.2 Ų | 144.2 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -65.6 | 139.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G56 | G56-A58 PolarHBondContact O-N 3.15Š| ||
| 59 | S | 45.8 | Very low | 40.8 | Very low | 107 Ų | 107 | 144.2 Ų | 144.2 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | -64.1 | 142.9 | 168.1 | -60.5 | 0 | 0 | 0 | 0 | 110.6 | S61 | S59-S61 PolarHBondContact O-N 2.9Å; S59-S61 VanDerWaalsContact O-N 3.09Å | ||
| 60 | P | 48.3 | Very low | 40.9 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | -70 | 108 | 174.6 | 28.8 | -33.4 | 0 | 0 | 0 | 110.3 | ||||
| 61 | S | 39.5 | Very low | 40.9 | Very low | 103 Ų | 103 | 138.5 Ų | 138.5 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | -69.2 | 130.4 | 167.8 | 47.8 | 0 | 0 | 0 | 0 | 110.2 | S59 L63 | S59-S61 PolarHBondContact O-N 2.9Å; S59-S61 VanDerWaalsContact O-N 3.09Å; S61-L63 PolarHBondContact O-N 3.24Å | ||
| 62 | H | 39.1 | Very low | 41.1 | Very low | 183 Ų | 183 | 136.9 Ų | 136.9 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | trans | -63 | 116.6 | 171.5 | -87.6 | -106.7 | 0 | 0 | 0 | 110.3 | ||||
| 63 | L | 40.7 | Very low | 40.9 | Very low | 163 Ų | 163 | 136 Ų | 136 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -84.2 | 111.7 | 162.5 | -73.2 | 174.2 | 0 | 0 | 0 | 108.7 | S61 S65 | S61-L63 PolarHBondContact O-N 3.24Å; L63-S65 PolarHBondContact O-N 3.07Å | ||
| 64 | T | 44.8 | Very low | 41.5 | Very low | 143 Ų | 143 | 137.4 Ų | 137.4 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | trans | -79.3 | 102.6 | 167.9 | 42.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 65 | S | 40 | Very low | 42 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -126.7 | 145.9 | 159.2 | -167.7 | 0 | 0 | 0 | 0 | 108.7 | L63 | L63-S65 PolarHBondContact O-N 3.07Š| ||
| 66 | N | 45.2 | Very low | 43 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | trans | -111.1 | 158.5 | -155.1 | -160.2 | 15 | 0 | 0 | 0 | 113.8 | ||||
| 67 | N | 43.7 | Very low | 43.6 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 67% | 0.668 | 81% | 0.808 | S | S | * | * | trans | 58.5 | 90.4 | 163.9 | -60.7 | -35.8 | 0 | 0 | 0 | 118.1 | ||||
| 68 | H | 43.8 | Very low | 45.1 | Very low | 205 Ų | 205 | 139 Ų | 139 | 95% | 0.949 | 79% | 0.794 | S | S | * | * | -140.3 | 147.2 | 123 | -78 | 6.3 | 0 | 0 | 0 | 105.7 | |||||
| 69 | G | 39.5 | Very low | 47.1 | Very low | 84 Ų | 84 | 141.4 Ų | 141.4 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | cis | 151.7 | 41.2 | 2.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 70 | G | 38.6 | Very low | 48.8 | Very low | 70 Ų | 70 | 141.7 Ų | 141.7 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | 138.6 | 123.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 71 | K | 46.1 | Very low | 50.6 | Low | 189 Ų | 189 | 140.3 Ų | 140.3 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | 19.8 | 138.8 | 145 | -59.7 | 178.6 | -179.4 | 177.9 | 0 | 121.1 | ||||
| 72 | Q | 44 | Very low | 52.9 | Low | 181 Ų | 181 | 137.4 Ų | 137.4 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | trans | 72.1 | 143.9 | 157.9 | -64.7 | 159.5 | -4.2 | 0 | 0 | 115.1 | ||||
| 73 | S | 37.1 | Very low | 55.3 | Low | 108 Ų | 108 | 136.6 Ų | 136.6 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | cis | -139.2 | 173.1 | 9.1 | -120.5 | 0 | 0 | 0 | 0 | 114.3 | E75 | S73-E75 PolarHBondContact O-N 3.08Š| ||
| 74 | Q | 46.8 | Very low | 57.5 | Low | 197 Ų | 197 | 134.6 Ų | 134.6 | 92% | 0.921 | 72% | 0.724 | S | S | * | * | trans | -65.5 | 82.5 | -178.2 | 178.9 | -170.5 | -22.4 | 0 | 0 | 113.5 | ||||
| 75 | E | 51.2 | Low | 59.7 | Low | 187 Ų | 187 | 135.4 Ų | 135.4 | 87% | 0.874 | 71% | 0.711 | S | S | * | * | trans | -150 | 146.2 | 175.5 | -151.6 | 152.8 | -143.3 | 0 | 0 | 113.3 | S73 | S73-E75 PolarHBondContact O-N 3.08Š| ||
| 76 | G | 56.5 | Low | 62.1 | Low | 59 Ų | 59 | 133.1 Ų | 133.1 | 61% | 0.608 | 69% | 0.689 | S | S | * | * | trans | 88.3 | 7.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | M78 | G76-M78 PolarHBondContact O-N 3.49Š| ||
| 77 | Y | 50.5 | Low | 64.2 | Low | 226 Ų | 226 | 129.1 Ų | 129.1 | 89% | 0.886 | 67% | 0.674 | S | S | * | * | trans | -76 | 63.2 | 174.6 | -113.5 | -84.6 | 0 | 0 | 0 | 113.1 | K79 | Y77-K79 PolarHBondContact O-N 3.39Š| ||
| 78 | M | 65.4 | Low | 66.5 | Low | 115 Ų | 115 | 129.9 Ų | 129.9 | 57% | 0.567 | 67% | 0.671 | S | S | * | * | trans | -55.8 | 130 | 158.5 | -63.3 | -54.4 | -57 | 0 | 0 | 108.2 | G76 D82 | G76-M78 PolarHBondContact O-N 3.49Å; M78-D82 HydrophobicContact CB-CB 4.24Å; M78-D82 HydrophobicContact CE-CB 3.73Å | ||
| 79 | K | 82.9 | Confident | 68.7 | Low | 146 Ų | 146 | 124.9 Ų | 124.9 | 64% | 0.635 | 65% | 0.648 | S | S | * | * | trans | -60.9 | 157.1 | -175.6 | -75.8 | 178.7 | 173.9 | 176.9 | 0 | 110.5 | Y77 D81 D82 R83 | Y77-K79 PolarHBondContact O-N 3.39Å; K79-D81 PolarHBondContact O-N 3.47Å; K79-D81 VanDerWaalsContact O-N 3.12Å; K79-D82 WeakPolarHBondContact CB-OD2 3.01Å; K79-D82 PolarHBondContact N-OD2 3.03Å; K79-D82 WeakPolarHBondContact O-CB 3.4Å; K79-D82 PolarHBondContact O-N 3.02Å; K79-R83 PolarHBondContact O-N 3.39Å | ||
| 80 | T | 81.6 | Confident | 71.3 | Confident | 114 Ų | 114 | 126.9 Ų | 126.9 | 70% | 0.699 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -52.1 | -37.8 | 177.8 | -49 | 0 | 0 | 0 | 0 | 111.2 | R83 M84 | T80-R83 PolarHBondContact O-N 2.62Å; T80-M84 VanDerWaalsContact O-CB 3.3Å; T80-M84 WeakPolarHBondContact O-CB 3.12Å; T80-M84 PolarHBondContact O-N 3.47Å |
| 81 | D | 84.8 | Confident | 73.6 | Confident | 96 Ų | 96 | 132.2 Ų | 132.2 | 51% | 0.513 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -65.3 | -39.4 | 176 | -48 | -57 | 0 | 0 | 0 | 113 | K79 M84 R85 | K79-D81 PolarHBondContact O-N 3.47Å; K79-D81 VanDerWaalsContact O-N 3.12Å; D81-M84 PolarHBondContact O-N 3.39Å; D81-R85 WeakPolarHBondContact O-CB 3.48Å; D81-R85 PolarHBondContact O-N 2.94Å |
| 82 | D | 89.3 | Confident | 75.6 | Confident | 42 Ų | 42 | 126.8 Ų | 126.8 | 23% | 0.225 | 61% | 0.606 | C | S | . | * | H | α-helix | trans | -70.6 | -40.1 | 177.2 | -56.5 | -38.3 | 0 | 0 | 0 | 111.3 | M78 K79 M84 R85 L86 | M78-D82 HydrophobicContact CB-CB 4.24Å; M78-D82 HydrophobicContact CE-CB 3.73Å; K79-D82 WeakPolarHBondContact CB-OD2 3.01Å; K79-D82 PolarHBondContact N-OD2 3.03Å; K79-D82 WeakPolarHBondContact O-CB 3.4Å; K79-D82 PolarHBondContact O-N 3.02Å; D82-M84 VanDerWaalsContact C-N 3.34Å; D82-R85 PolarHBondContact O-N 3.1Å; D82-R85 IonicContact OD1-CZ 2.86Å; D82-R85 IonicContact OD1-NE 3.19Å; D82-R85 IonicContact OD1-NH2 2.6Å; D82-R85 PolarHBondContact OD1-NH2 3.03Å; D82-L86 WeakPolarHBondContact O-CB 3.2Å; D82-L86 PolarHBondContact O-N 3.19Å |
| 83 | R | 88.5 | Confident | 77.8 | Confident | 166 Ų | 166 | 123.9 Ų | 123.9 | 63% | 0.626 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63 | -41.4 | 173.7 | -170.7 | -179.1 | -61.4 | -113.8 | -2.2 | 111.1 | K79 T80 A87 | K79-R83 PolarHBondContact O-N 3.39Å; T80-R83 PolarHBondContact O-N 2.62Å; R83-A87 VanDerWaalsContact O-CB 3.31Å; R83-A87 WeakPolarHBondContact O-CB 3.29Å; R83-A87 PolarHBondContact O-N 2.84Å |
| 84 | M | 86.5 | Confident | 80.2 | Confident | 120 Ų | 120 | 126.1 Ų | 126.1 | 59% | 0.591 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.7 | -41.2 | 174.6 | 179.2 | 167.4 | 57.5 | 0 | 0 | 111.9 | T80 D81 D82 A87 K88 | T80-M84 VanDerWaalsContact O-CB 3.3Å; T80-M84 WeakPolarHBondContact O-CB 3.12Å; T80-M84 PolarHBondContact O-N 3.47Å; D81-M84 PolarHBondContact O-N 3.39Å; D82-M84 VanDerWaalsContact C-N 3.34Å; M84-A87 PolarHBondContact O-N 2.81Å; M84-K88 WeakPolarHBondContact O-CB 3.31Å; M84-K88 PolarHBondContact O-N 2.86Å |
| 85 | R | 91.9 | Very high | 82.3 | Confident | 160 Ų | 160 | 123 Ų | 123 | 60% | 0.604 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -60.1 | -50 | 175.9 | -166.1 | -167.5 | -41.5 | -162.5 | 8.4 | 111.1 | D81 D82 A87 K88 E89 | D81-R85 WeakPolarHBondContact O-CB 3.48Å; D81-R85 PolarHBondContact O-N 2.94Å; D82-R85 PolarHBondContact O-N 3.1Å; D82-R85 IonicContact OD1-CZ 2.86Å; D82-R85 IonicContact OD1-NE 3.19Å; D82-R85 IonicContact OD1-NH2 2.6Å; D82-R85 PolarHBondContact OD1-NH2 3.03Å; R85-A87 VanDerWaalsContact C-N 3.31Å; R85-A87 PolarHBondContact O-N 3.38Å; R85-K88 WeakPolarHBondContact O-CB 3.36Å; R85-K88 PolarHBondContact O-N 3.46Å; R85-E89 WeakPolarHBondContact O-CB 3.43Å; R85-E89 PolarHBondContact O-N 3.23Å |
| 86 | L | 90.7 | Very high | 84.2 | Confident | 75 Ų | 75 | 120.6 Ų | 120.6 | 39% | 0.393 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.6 | -31.3 | 177.2 | -173.1 | 63.2 | 0 | 0 | 0 | 112.5 | D82 E89 R90 | D82-L86 WeakPolarHBondContact O-CB 3.2Å; D82-L86 PolarHBondContact O-N 3.19Å; L86-E89 WeakPolarHBondContact CD1-OE2 3.34Å; L86-R90 WeakPolarHBondContact O-CG 3.18Å; L86-R90 PolarHBondContact O-N 3.27Å; L86-R90 VanDerWaalsContact O-N 3.09Å |
| 87 | A | 89.3 | Confident | 85.7 | Confident | 46 Ų | 46 | 121.7 Ų | 121.7 | 38% | 0.38 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -70.2 | -36.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R83 M84 R85 R91 | R83-A87 VanDerWaalsContact O-CB 3.31Å; R83-A87 WeakPolarHBondContact O-CB 3.29Å; R83-A87 PolarHBondContact O-N 2.84Å; M84-A87 PolarHBondContact O-N 2.81Å; R85-A87 VanDerWaalsContact C-N 3.31Å; R85-A87 PolarHBondContact O-N 3.38Å; A87-R91 WeakPolarHBondContact O-CG 3.29Å; A87-R91 PolarHBondContact O-N 2.83Å |
| 88 | K | 91.9 | Very high | 87.4 | Confident | 141 Ų | 141 | 116.3 Ų | 116.3 | 61% | 0.613 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.2 | -46.6 | 172.2 | -176 | -177.3 | 175.2 | -174.4 | 0 | 111 | M84 R85 R90 R91 E92 | M84-K88 WeakPolarHBondContact O-CB 3.31Å; M84-K88 PolarHBondContact O-N 2.86Å; R85-K88 WeakPolarHBondContact O-CB 3.36Å; R85-K88 PolarHBondContact O-N 3.46Å; K88-R90 PolarHBondContact O-N 2.86Å; K88-R91 WeakPolarHBondContact O-CA 3.24Å; K88-R91 WeakPolarHBondContact O-CB 3.44Å; K88-R91 PolarHBondContact O-N 3.25Å; K88-E92 PolarHBondContact O-N 2.9Å |
| 89 | E | 90.1 | Very high | 88.7 | Confident | 100 Ų | 100 | 112.7 Ų | 112.7 | 47% | 0.467 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -56.2 | -46.2 | 177.9 | -178.7 | 170.3 | -142.5 | 0 | 0 | 111.7 | R85 L86 R91 E92 E93 | R85-E89 WeakPolarHBondContact O-CB 3.43Å; R85-E89 PolarHBondContact O-N 3.23Å; L86-E89 WeakPolarHBondContact CD1-OE2 3.34Å; E89-R91 VanDerWaalsContact C-N 3.25Å; E89-R91 PolarHBondContact O-N 2.84Å; E89-E92 CarbonylContact O-C 3.56Å; E89-E92 PolarHBondContact O-N 3.47Å; E89-E93 VanDerWaalsContact O-CB 3.32Å; E89-E93 WeakPolarHBondContact O-CB 3.44Å; E89-E93 PolarHBondContact O-N 2.93Å |
| 90 | R | 94.2 | Very high | 89.1 | Confident | 126 Ų | 126 | 108.3 Ų | 108.3 | 48% | 0.475 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.3 | -20.9 | 173.6 | -69.8 | -179.1 | -172.4 | 130.8 | -4.6 | 114.1 | L86 K88 R94 | L86-R90 WeakPolarHBondContact O-CG 3.18Å; L86-R90 PolarHBondContact O-N 3.27Å; L86-R90 VanDerWaalsContact O-N 3.09Å; K88-R90 PolarHBondContact O-N 2.86Å; R90-R94 WeakPolarHBondContact O-CG 3.17Å; R90-R94 PolarHBondContact O-NH1 2.92Å |
| 91 | R | 86.6 | Confident | 89.1 | Confident | 183 Ų | 183 | 111.2 Ų | 111.2 | 69% | 0.691 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -77.1 | -47.9 | 170.6 | -72.3 | 175 | -179.7 | 173.9 | 0.8 | 109.5 | A87 K88 E89 E93 R94 E95 | A87-R91 WeakPolarHBondContact O-CG 3.29Å; A87-R91 PolarHBondContact O-N 2.83Å; K88-R91 WeakPolarHBondContact O-CA 3.24Å; K88-R91 WeakPolarHBondContact O-CB 3.44Å; K88-R91 PolarHBondContact O-N 3.25Å; E89-R91 VanDerWaalsContact C-N 3.25Å; E89-R91 PolarHBondContact O-N 2.84Å; R91-E93 VanDerWaalsContact C-N 3.32Å; R91-E93 PolarHBondContact O-N 3.27Å; R91-R94 WeakPolarHBondContact O-CB 3.37Å; R91-R94 PolarHBondContact O-N 3.34Å; R91-E95 PolarHBondContact O-N 3.48Å |
| 92 | E | 88.5 | Confident | 89 | Confident | 75 Ų | 75 | 110.9 Ų | 110.9 | 35% | 0.35 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.4 | -36.3 | 178.3 | -156.7 | -175.9 | 139.6 | 0 | 0 | 112.2 | K88 E89 E95 R96 | K88-E92 PolarHBondContact O-N 2.9Å; E89-E92 CarbonylContact O-C 3.56Å; E89-E92 PolarHBondContact O-N 3.47Å; E92-E95 WeakPolarHBondContact O-CB 3.41Å; E92-E95 PolarHBondContact O-N 3.16Å; E92-R96 WeakPolarHBondContact O-CB 3.4Å; E92-R96 WeakPolarHBondContact O-CG 3.23Å; E92-R96 PolarHBondContact O-N 2.87Å; E92-R96 IonicContact OE1-CZ 3.42Å; E92-R96 IonicContact OE1-NE 2.83Å; E92-R96 PolarHBondContact OE1-NE 2.84Å; E92-R96 IonicContact OE1-NH2 2.6Å; E92-R96 PolarHBondContact OE1-NH2 2.75Å; E92-R96 IonicContact OE2-NH2 2.99Å |
| 93 | E | 89.6 | Confident | 89 | Confident | 119 Ų | 119 | 115.4 Ų | 115.4 | 56% | 0.556 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.6 | -43.7 | 173.4 | -177.2 | -176.7 | -151.4 | 0 | 0 | 112.2 | E89 R91 E95 S97 | E89-E93 VanDerWaalsContact O-CB 3.32Å; E89-E93 WeakPolarHBondContact O-CB 3.44Å; E89-E93 PolarHBondContact O-N 2.93Å; R91-E93 VanDerWaalsContact C-N 3.32Å; R91-E93 PolarHBondContact O-N 3.27Å; E93-E95 VanDerWaalsContact C-N 3.33Å; E93-S97 WeakPolarHBondContact O-CB 3.43Å; E93-S97 PolarHBondContact O-N 3.44Å |
| 94 | R | 87.5 | Confident | 89.1 | Confident | 155 Ų | 155 | 111.7 Ų | 111.7 | 59% | 0.585 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.3 | -39.1 | 173.6 | -68.2 | 176 | -172.4 | 106.1 | -12.2 | 111.3 | R90 R91 S97 L98 | R90-R94 WeakPolarHBondContact O-CG 3.17Å; R90-R94 PolarHBondContact O-NH1 2.92Å; R91-R94 WeakPolarHBondContact O-CB 3.37Å; R91-R94 PolarHBondContact O-N 3.34Å; R94-S97 WeakPolarHBondContact O-CB 3.48Å; R94-S97 PolarHBondContact O-N 2.84Å; R94-L98 WeakPolarHBondContact O-CG 3.36Å; R94-L98 PolarHBondContact O-N 2.75Å |
| 95 | E | 91.2 | Very high | 89.3 | Confident | 133 Ų | 133 | 110.7 Ų | 110.7 | 62% | 0.621 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.3 | -46 | 177 | -169 | 172.8 | 178.2 | 0 | 0 | 111.6 | R91 E92 E93 S97 L98 A99 | R91-E95 PolarHBondContact O-N 3.48Å; E92-E95 WeakPolarHBondContact O-CB 3.41Å; E92-E95 PolarHBondContact O-N 3.16Å; E93-E95 VanDerWaalsContact C-N 3.33Å; E95-S97 VanDerWaalsContact C-N 3.31Å; E95-S97 PolarHBondContact O-N 3.3Å; E95-L98 PolarHBondContact O-N 3.03Å; E95-A99 WeakPolarHBondContact O-CB 3.21Å; E95-A99 PolarHBondContact O-N 2.9Å |
| 96 | R | 91.6 | Very high | 89 | Confident | 136 Ų | 136 | 109.5 Ų | 109.5 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.2 | -40.7 | 170.8 | -68.7 | 168.5 | -162.3 | 161.5 | -1.1 | 111.7 | E92 A99 A100 | E92-R96 WeakPolarHBondContact O-CB 3.4Å; E92-R96 WeakPolarHBondContact O-CG 3.23Å; E92-R96 PolarHBondContact O-N 2.87Å; E92-R96 IonicContact OE1-CZ 3.42Å; E92-R96 IonicContact OE1-NE 2.83Å; E92-R96 PolarHBondContact OE1-NE 2.84Å; E92-R96 IonicContact OE1-NH2 2.6Å; E92-R96 PolarHBondContact OE1-NH2 2.75Å; E92-R96 IonicContact OE2-NH2 2.99Å; R96-A99 PolarHBondContact O-N 3.37Å; R96-A100 WeakPolarHBondContact O-CB 3.24Å; R96-A100 PolarHBondContact O-N 3.2Å |
| 97 | S | 86.8 | Confident | 89 | Confident | 81 Ų | 81 | 109 Ų | 109 | 57% | 0.566 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.7 | -42.8 | 176.7 | -172.9 | 0 | 0 | 0 | 0 | 112.4 | E93 R94 E95 A100 R101 | E93-S97 WeakPolarHBondContact O-CB 3.43Å; E93-S97 PolarHBondContact O-N 3.44Å; R94-S97 WeakPolarHBondContact O-CB 3.48Å; R94-S97 PolarHBondContact O-N 2.84Å; E95-S97 VanDerWaalsContact C-N 3.31Å; E95-S97 PolarHBondContact O-N 3.3Å; S97-A100 PolarHBondContact O-N 2.83Å; S97-R101 PolarHBondContact O-N 3.5Å |
| 98 | L | 87.4 | Confident | 88.7 | Confident | 114 Ų | 114 | 113.2 Ų | 113.2 | 60% | 0.597 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.1 | -45.1 | 173.4 | -71.7 | 170.5 | 0 | 0 | 0 | 111.4 | R94 E95 A100 R101 E102 | R94-L98 WeakPolarHBondContact O-CG 3.36Å; R94-L98 PolarHBondContact O-N 2.75Å; E95-L98 PolarHBondContact O-N 3.03Å; L98-A100 PolarHBondContact O-N 2.98Å; L98-R101 WeakPolarHBondContact O-CB 3.41Å; L98-R101 PolarHBondContact O-N 2.83Å; L98-E102 WeakPolarHBondContact O-CB 3.25Å; L98-E102 PolarHBondContact O-N 3.02Å |
| 99 | A | 91.5 | Very high | 88.4 | Confident | 38 Ų | 38 | 110.7 Ų | 110.7 | 31% | 0.314 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E95 R96 E102 Q103 | E95-A99 WeakPolarHBondContact O-CB 3.21Å; E95-A99 PolarHBondContact O-N 2.9Å; R96-A99 PolarHBondContact O-N 3.37Å; A99-E102 PolarHBondContact O-N 2.91Å; A99-Q103 WeakPolarHBondContact O-CB 3.42Å; A99-Q103 WeakPolarHBondContact O-CG 3.15Å; A99-Q103 PolarHBondContact O-N 2.95Å |
| 100 | A | 91.4 | Very high | 88.2 | Confident | 55 Ų | 55 | 112.6 Ų | 112.6 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R96 S97 L98 Q103 L104 | R96-A100 WeakPolarHBondContact O-CB 3.24Å; R96-A100 PolarHBondContact O-N 3.2Å; S97-A100 PolarHBondContact O-N 2.83Å; L98-A100 PolarHBondContact O-N 2.98Å; A100-Q103 PolarHBondContact O-N 3.3Å; A100-L104 PolarHBondContact O-N 2.79Å |
| 101 | R | 82.3 | Confident | 87.7 | Confident | 175 Ų | 175 | 113.6 Ų | 113.6 | 66% | 0.66 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.3 | -39.4 | 172.9 | -178.5 | 178.8 | 176.1 | -179.9 | -1 | 111.9 | S97 L98 L104 I105 | S97-R101 PolarHBondContact O-N 3.5Å; L98-R101 WeakPolarHBondContact O-CB 3.41Å; L98-R101 PolarHBondContact O-N 2.83Å; R101-L104 PolarHBondContact O-N 2.8Å; R101-I105 HydrophobicContact CG-CD1 4.29Å; R101-I105 VanDerWaalsContact O-CG1 3.32Å; R101-I105 WeakPolarHBondContact O-CG1 3.4Å; R101-I105 PolarHBondContact O-N 2.9Å |
| 102 | E | 83 | Confident | 87.7 | Confident | 89 Ų | 89 | 107.8 Ų | 107.8 | 42% | 0.416 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.7 | -39.5 | 177.7 | -161.7 | -170.9 | 155.9 | 0 | 0 | 112 | L98 A99 I105 R106 | L98-E102 WeakPolarHBondContact O-CB 3.25Å; L98-E102 PolarHBondContact O-N 3.02Å; A99-E102 PolarHBondContact O-N 2.91Å; E102-I105 PolarHBondContact O-N 3.41Å; E102-R106 VanDerWaalsContact CD-NH1 3.27Å; E102-R106 PolarHBondContact O-N 2.94Å; E102-R106 IonicContact OE1-CZ 3.22Å; E102-R106 IonicContact OE1-NH1 2.86Å; E102-R106 PolarHBondContact OE1-NH1 2.89Å; E102-R106 IonicContact OE1-NH2 3.31Å; E102-R106 PolarHBondContact OE1-NH2 3.36Å |
| 103 | Q | 89.3 | Confident | 87.7 | Confident | 137 Ų | 137 | 111.9 Ų | 111.9 | 64% | 0.64 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.2 | -44 | 171.1 | -74.9 | 179.9 | 8.4 | 0 | 0 | 111.7 | A99 A100 I105 R106 E107 | A99-Q103 WeakPolarHBondContact O-CB 3.42Å; A99-Q103 WeakPolarHBondContact O-CG 3.15Å; A99-Q103 PolarHBondContact O-N 2.95Å; A100-Q103 PolarHBondContact O-N 3.3Å; Q103-I105 VanDerWaalsContact C-N 3.28Å; Q103-I105 PolarHBondContact O-N 3.26Å; Q103-R106 PolarHBondContact O-N 3.29Å; Q103-E107 WeakPolarHBondContact O-CB 3.49Å; Q103-E107 PolarHBondContact O-N 3.26Å |
| 104 | L | 89.8 | Confident | 87.8 | Confident | 88 Ų | 88 | 110.1 Ų | 110.1 | 46% | 0.461 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.7 | -34.3 | 175.3 | -178.6 | 62.8 | 0 | 0 | 0 | 112.3 | A100 R101 K108 | A100-L104 PolarHBondContact O-N 2.79Å; R101-L104 PolarHBondContact O-N 2.8Å; L104-K108 WeakPolarHBondContact O-CB 3.49Å; L104-K108 VanDerWaalsContact O-CG 3.31Å; L104-K108 WeakPolarHBondContact O-CG 3.39Å; L104-K108 PolarHBondContact O-N 3.43Å |
| 105 | I | 90.3 | Very high | 87.8 | Confident | 98 Ų | 98 | 108.3 Ų | 108.3 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.5 | -50.5 | 173.2 | -69.8 | 163.9 | 0 | 0 | 0 | 110.4 | R101 E102 Q103 E107 K108 E109 | R101-I105 HydrophobicContact CG-CD1 4.29Å; R101-I105 VanDerWaalsContact O-CG1 3.32Å; R101-I105 WeakPolarHBondContact O-CG1 3.4Å; R101-I105 PolarHBondContact O-N 2.9Å; E102-I105 PolarHBondContact O-N 3.41Å; Q103-I105 VanDerWaalsContact C-N 3.28Å; Q103-I105 PolarHBondContact O-N 3.26Å; I105-E107 VanDerWaalsContact C-N 3.27Å; I105-E107 PolarHBondContact O-N 2.95Å; I105-K108 PolarHBondContact O-N 3.5Å; I105-E109 WeakPolarHBondContact O-CB 3.4Å; I105-E109 PolarHBondContact O-N 3.39Å |
| 106 | R | 85.6 | Confident | 87.5 | Confident | 136 Ų | 136 | 110 Ų | 110 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.3 | -34.9 | 176.6 | -74.4 | -165 | 178.9 | 89.9 | 11.7 | 113 | E102 Q103 R110 | E102-R106 VanDerWaalsContact CD-NH1 3.27Å; E102-R106 PolarHBondContact O-N 2.94Å; E102-R106 IonicContact OE1-CZ 3.22Å; E102-R106 IonicContact OE1-NH1 2.86Å; E102-R106 PolarHBondContact OE1-NH1 2.89Å; E102-R106 IonicContact OE1-NH2 3.31Å; E102-R106 PolarHBondContact OE1-NH2 3.36Å; Q103-R106 PolarHBondContact O-N 3.29Å; R106-R110 WeakPolarHBondContact O-CB 3.36Å; R106-R110 PolarHBondContact O-N 3Å |
| 107 | E | 90.8 | Very high | 87.4 | Confident | 65 Ų | 65 | 108.3 Ų | 108.3 | 30% | 0.304 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.4 | -45.1 | 174.2 | -178.8 | 173 | -155.7 | 0 | 0 | 111.9 | Q103 I105 E109 R110 R111 | Q103-E107 WeakPolarHBondContact O-CB 3.49Å; Q103-E107 PolarHBondContact O-N 3.26Å; I105-E107 VanDerWaalsContact C-N 3.27Å; I105-E107 PolarHBondContact O-N 2.95Å; E107-E109 VanDerWaalsContact C-N 3.26Å; E107-E109 PolarHBondContact O-N 3.04Å; E107-R110 WeakPolarHBondContact O-CB 3.47Å; E107-R110 PolarHBondContact O-N 2.99Å; E107-R111 HydrophobicContact CG-CG 4.3Å; E107-R111 WeakPolarHBondContact O-CG 3.45Å; E107-R111 PolarHBondContact O-N 3.05Å; E107-R111 IonicContact OE1-CZ 2.57Å; E107-R111 VanDerWaalsContact OE1-CZ 3.29Å; E107-R111 IonicContact OE1-NE 2.95Å; E107-R111 PolarHBondContact OE1-NE 2.89Å; E107-R111 VanDerWaalsContact OE1-NE 3.1Å; E107-R111 IonicContact OE1-NH2 3.87Å; E107-R111 PolarHBondContact OE1-NH2 3.32Å; E107-R111 IonicContact OE2-NH2 3.76Å; E107-R111 PolarHBondContact OE2-NH2 2.7Å |
| 108 | K | 83.2 | Confident | 87.5 | Confident | 134 Ų | 134 | 112.2 Ų | 112.2 | 58% | 0.583 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59 | -40.4 | 174.5 | -76.7 | 176.7 | 179.1 | -174 | 0 | 111.4 | L104 I105 R111 A112 | L104-K108 WeakPolarHBondContact O-CB 3.49Å; L104-K108 VanDerWaalsContact O-CG 3.31Å; L104-K108 WeakPolarHBondContact O-CG 3.39Å; L104-K108 PolarHBondContact O-N 3.43Å; I105-K108 PolarHBondContact O-N 3.5Å; K108-R111 PolarHBondContact O-N 3.22Å; K108-A112 WeakPolarHBondContact O-CB 3.42Å; K108-A112 PolarHBondContact O-N 3.02Å |
| 109 | E | 85 | Confident | 87.2 | Confident | 88 Ų | 88 | 110.7 Ų | 110.7 | 41% | 0.411 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63 | -45.9 | 174.1 | -162.6 | -163 | 151.3 | 0 | 0 | 111.9 | I105 E107 R111 A112 R113 | I105-E109 WeakPolarHBondContact O-CB 3.4Å; I105-E109 PolarHBondContact O-N 3.39Å; E107-E109 VanDerWaalsContact C-N 3.26Å; E107-E109 PolarHBondContact O-N 3.04Å; E109-R111 VanDerWaalsContact C-N 3.35Å; E109-R111 PolarHBondContact O-N 3.47Å; E109-A112 PolarHBondContact O-N 2.87Å; E109-R113 WeakPolarHBondContact O-CB 3.47Å; E109-R113 WeakPolarHBondContact O-CG 3.46Å; E109-R113 PolarHBondContact O-N 3.08Å; E109-R113 IonicContact OE1-CZ 2.68Å; E109-R113 IonicContact OE1-NE 2.61Å; E109-R113 PolarHBondContact OE1-NE 3.42Å; E109-R113 IonicContact OE1-NH2 3.77Å; E109-R113 PolarHBondContact OE1-NH2 3.38Å |
| 110 | R | 86.6 | Confident | 86.9 | Confident | 139 Ų | 139 | 111.4 Ų | 111.4 | 53% | 0.525 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.6 | -44.6 | 174.5 | -166.9 | -165.8 | -54.2 | 121.2 | 1.8 | 111.7 | R106 E107 R113 L114 | R106-R110 WeakPolarHBondContact O-CB 3.36Å; R106-R110 PolarHBondContact O-N 3Å; E107-R110 WeakPolarHBondContact O-CB 3.47Å; E107-R110 PolarHBondContact O-N 2.99Å; R110-R113 PolarHBondContact O-N 2.9Å; R110-L114 HydrophobicContact CG-CD1 4.25Å; R110-L114 WeakPolarHBondContact O-CB 3.27Å; R110-L114 VanDerWaalsContact O-CG 3.31Å; R110-L114 WeakPolarHBondContact O-CG 3.34Å; R110-L114 PolarHBondContact O-N 2.96Å |
| 111 | R | 84.5 | Confident | 86.8 | Confident | 148 Ų | 148 | 113.6 Ų | 113.6 | 56% | 0.558 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.4 | -38.6 | 176.8 | -68.8 | 175.6 | -174.2 | -162.9 | 7.2 | 111.6 | E107 K108 E109 Q115 | E107-R111 HydrophobicContact CG-CG 4.3Å; E107-R111 WeakPolarHBondContact O-CG 3.45Å; E107-R111 PolarHBondContact O-N 3.05Å; E107-R111 IonicContact OE1-CZ 2.57Å; E107-R111 VanDerWaalsContact OE1-CZ 3.29Å; E107-R111 IonicContact OE1-NE 2.95Å; E107-R111 PolarHBondContact OE1-NE 2.89Å; E107-R111 VanDerWaalsContact OE1-NE 3.1Å; E107-R111 IonicContact OE1-NH2 3.87Å; E107-R111 PolarHBondContact OE1-NH2 3.32Å; E107-R111 IonicContact OE2-NH2 3.76Å; E107-R111 PolarHBondContact OE2-NH2 2.7Å; K108-R111 PolarHBondContact O-N 3.22Å; E109-R111 VanDerWaalsContact C-N 3.35Å; E109-R111 PolarHBondContact O-N 3.47Å; R111-Q115 WeakPolarHBondContact O-CG 3.44Å; R111-Q115 PolarHBondContact O-N 3.15Å; R111-Q115 VanDerWaalsContact O-N 3.1Å |
| 112 | A | 86.6 | Confident | 87 | Confident | 60 Ų | 60 | 109.9 Ų | 109.9 | 50% | 0.496 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.6 | -43.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K108 E109 Q115 Y116 | K108-A112 WeakPolarHBondContact O-CB 3.42Å; K108-A112 PolarHBondContact O-N 3.02Å; E109-A112 PolarHBondContact O-N 2.87Å; A112-Q115 PolarHBondContact O-N 2.9Å; A112-Y116 PolarHBondContact O-N 3.46Å |
| 113 | R | 88.1 | Confident | 86.9 | Confident | 161 Ų | 161 | 114.6 Ų | 114.6 | 61% | 0.608 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -57.2 | -49.8 | 173.2 | -72.5 | 167.8 | 176.6 | -111.7 | 7.2 | 111.2 | E109 R110 Q115 Y116 E117 | E109-R113 WeakPolarHBondContact O-CB 3.47Å; E109-R113 WeakPolarHBondContact O-CG 3.46Å; E109-R113 PolarHBondContact O-N 3.08Å; E109-R113 IonicContact OE1-CZ 2.68Å; E109-R113 IonicContact OE1-NE 2.61Å; E109-R113 PolarHBondContact OE1-NE 3.42Å; E109-R113 IonicContact OE1-NH2 3.77Å; E109-R113 PolarHBondContact OE1-NH2 3.38Å; R110-R113 PolarHBondContact O-N 2.9Å; R113-Q115 VanDerWaalsContact C-N 3.3Å; R113-Q115 PolarHBondContact O-N 3.15Å; R113-Y116 PolarHBondContact O-N 2.91Å; R113-E117 VanDerWaalsContact O-CB 3.25Å; R113-E117 WeakPolarHBondContact O-CB 3.35Å; R113-E117 PolarHBondContact O-N 3.46Å |
| 114 | L | 91.5 | Very high | 86.1 | Confident | 82 Ų | 82 | 116.4 Ų | 116.4 | 43% | 0.429 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.5 | -31.9 | 177.4 | -73.5 | 165.2 | 0 | 0 | 0 | 113.7 | R110 R118 | R110-L114 HydrophobicContact CG-CD1 4.25Å; R110-L114 WeakPolarHBondContact O-CB 3.27Å; R110-L114 VanDerWaalsContact O-CG 3.31Å; R110-L114 WeakPolarHBondContact O-CG 3.34Å; R110-L114 PolarHBondContact O-N 2.96Å; L114-R118 WeakPolarHBondContact O-CB 3.46Å; L114-R118 VanDerWaalsContact O-CG 3.24Å; L114-R118 WeakPolarHBondContact O-CG 3.33Å; L114-R118 PolarHBondContact O-N 3Å; L114-R118 VanDerWaalsContact O-N 3.1Å |
| 115 | Q | 87.1 | Confident | 86.1 | Confident | 117 Ų | 117 | 120.2 Ų | 120.2 | 55% | 0.547 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -72.6 | -45.2 | 174.5 | -73.4 | -70.6 | -0.1 | 0 | 0 | 111.5 | R111 A112 R113 R118 T119 | R111-Q115 WeakPolarHBondContact O-CG 3.44Å; R111-Q115 PolarHBondContact O-N 3.15Å; R111-Q115 VanDerWaalsContact O-N 3.1Å; A112-Q115 PolarHBondContact O-N 2.9Å; R113-Q115 VanDerWaalsContact C-N 3.3Å; R113-Q115 PolarHBondContact O-N 3.15Å; Q115-R118 PolarHBondContact O-N 3.44Å; Q115-T119 WeakPolarHBondContact O-CG2 3.45Å; Q115-T119 PolarHBondContact O-N 2.66Å; Q115-T119 PolarHBondContact O-OG1 2.87Å |
| 116 | Y | 84.9 | Confident | 86.1 | Confident | 170 Ų | 170 | 122.9 Ų | 122.9 | 67% | 0.667 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.7 | -49.4 | 174.4 | 176.1 | -100.6 | 0 | 0 | 0 | 111.3 | A112 R113 R118 T119 V120 | A112-Y116 PolarHBondContact O-N 3.46Å; R113-Y116 PolarHBondContact O-N 2.91Å; Y116-R118 PolarHBondContact O-N 2.9Å; Y116-T119 PolarHBondContact O-N 3.17Å; Y116-T119 VanDerWaalsContact O-N 3.1Å; Y116-T119 PolarHBondContact O-OG1 3.38Å; Y116-V120 HydrophobicContact CD1-CG2 4.33Å; Y116-V120 HydrophobicContact CD2-CG2 4.44Å; Y116-V120 HydrophobicContact CE1-CG2 3.89Å; Y116-V120 HydrophobicContact CE2-CG2 4.01Å; Y116-V120 WeakPolarHBondContact O-CG2 3.41Å; Y116-V120 PolarHBondContact O-N 3.2Å |
| 117 | E | 89.8 | Confident | 86 | Confident | 100 Ų | 100 | 120.9 Ų | 120.9 | 47% | 0.467 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -51.7 | -53.2 | 175.6 | -172.7 | 164.8 | -133.5 | 0 | 0 | 111.4 | R113 T119 V120 E121 | R113-E117 VanDerWaalsContact O-CB 3.25Å; R113-E117 WeakPolarHBondContact O-CB 3.35Å; R113-E117 PolarHBondContact O-N 3.46Å; E117-T119 PolarHBondContact O-N 3.1Å; E117-V120 PolarHBondContact O-N 3.38Å; E117-V120 VanDerWaalsContact O-N 3.14Å; E117-E121 WeakPolarHBondContact O-CB 3.3Å; E117-E121 WeakPolarHBondContact O-CG 3.36Å; E117-E121 PolarHBondContact O-N 3.26Å |
| 118 | R | 88.6 | Confident | 85.8 | Confident | 162 Ų | 162 | 120.9 Ų | 120.9 | 61% | 0.611 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -55.4 | -44.6 | 174.3 | -76.8 | 173.2 | -179.5 | -150.9 | -0.9 | 113.7 | L114 Q115 Y116 V120 E121 E122 | L114-R118 WeakPolarHBondContact O-CB 3.46Å; L114-R118 VanDerWaalsContact O-CG 3.24Å; L114-R118 WeakPolarHBondContact O-CG 3.33Å; L114-R118 PolarHBondContact O-N 3Å; L114-R118 VanDerWaalsContact O-N 3.1Å; Q115-R118 PolarHBondContact O-N 3.44Å; Y116-R118 PolarHBondContact O-N 2.9Å; R118-V120 VanDerWaalsContact C-N 3.3Å; R118-V120 PolarHBondContact O-N 3.27Å; R118-E121 PolarHBondContact O-N 3.1Å; R118-E122 WeakPolarHBondContact O-CB 3.4Å; R118-E122 PolarHBondContact O-N 3.41Å |
| 119 | T | 82.1 | Confident | 86.1 | Confident | 83 Ų | 83 | 118.7 Ų | 118.7 | 51% | 0.509 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.3 | -31.8 | 179.9 | 59.4 | 0 | 0 | 0 | 0 | 112.8 | Q115 Y116 E117 R123 | Q115-T119 WeakPolarHBondContact O-CG2 3.45Å; Q115-T119 PolarHBondContact O-N 2.66Å; Q115-T119 PolarHBondContact O-OG1 2.87Å; Y116-T119 PolarHBondContact O-N 3.17Å; Y116-T119 VanDerWaalsContact O-N 3.1Å; Y116-T119 PolarHBondContact O-OG1 3.38Å; E117-T119 PolarHBondContact O-N 3.1Å; T119-R123 WeakPolarHBondContact O-CB 3.32Å; T119-R123 PolarHBondContact O-N 3.27Å |
| 120 | V | 83.9 | Confident | 86.2 | Confident | 52 Ų | 52 | 121.1 Ų | 121.1 | 32% | 0.315 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -74 | -47.6 | 174.3 | 173.8 | 0 | 0 | 0 | 0 | 110.3 | Y116 E117 R118 E122 R123 W124 | Y116-V120 HydrophobicContact CD1-CG2 4.33Å; Y116-V120 HydrophobicContact CD2-CG2 4.44Å; Y116-V120 HydrophobicContact CE1-CG2 3.89Å; Y116-V120 HydrophobicContact CE2-CG2 4.01Å; Y116-V120 WeakPolarHBondContact O-CG2 3.41Å; Y116-V120 PolarHBondContact O-N 3.2Å; E117-V120 PolarHBondContact O-N 3.38Å; E117-V120 VanDerWaalsContact O-N 3.14Å; R118-V120 VanDerWaalsContact C-N 3.3Å; R118-V120 PolarHBondContact O-N 3.27Å; V120-E122 VanDerWaalsContact C-N 3.34Å; V120-E122 PolarHBondContact O-N 2.91Å; V120-R123 PolarHBondContact O-N 2.91Å; V120-W124 PolarHBondContact O-N 3.2Å |
| 121 | E | 89.8 | Confident | 86.4 | Confident | 102 Ų | 102 | 121 Ų | 121 | 48% | 0.477 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -56.5 | -43.5 | 174.9 | -75.8 | -175.9 | 162.4 | 0 | 0 | 112.4 | E117 R118 W124 R125 | E117-E121 WeakPolarHBondContact O-CB 3.3Å; E117-E121 WeakPolarHBondContact O-CG 3.36Å; E117-E121 PolarHBondContact O-N 3.26Å; R118-E121 PolarHBondContact O-N 3.1Å; E121-W124 PolarHBondContact O-N 2.97Å; E121-R125 VanDerWaalsContact O-CB 3.25Å; E121-R125 WeakPolarHBondContact O-CB 3.35Å; E121-R125 PolarHBondContact O-N 2.81Å |
| 122 | E | 86.6 | Confident | 86.3 | Confident | 96 Ų | 96 | 118.8 Ų | 118.8 | 45% | 0.449 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.7 | -39 | 179.5 | -163.6 | -173.9 | 161.2 | 0 | 0 | 111.5 | R118 V120 R125 R126 | R118-E122 WeakPolarHBondContact O-CB 3.4Å; R118-E122 PolarHBondContact O-N 3.41Å; V120-E122 VanDerWaalsContact C-N 3.34Å; V120-E122 PolarHBondContact O-N 2.91Å; E122-R125 PolarHBondContact O-N 3.08Å; E122-R126 VanDerWaalsContact O-CG 3.32Å; E122-R126 WeakPolarHBondContact O-CG 3.36Å; E122-R126 PolarHBondContact O-N 3.4Å; E122-R126 IonicContact OE1-CZ 2.69Å; E122-R126 IonicContact OE1-NE 2.84Å; E122-R126 PolarHBondContact OE1-NE 2.88Å; E122-R126 IonicContact OE1-NH2 3.16Å; E122-R126 PolarHBondContact OE1-NH2 3.29Å |
| 123 | R | 81.1 | Confident | 86.5 | Confident | 189 Ų | 189 | 121 Ų | 121 | 71% | 0.713 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.5 | -43.1 | 173.6 | -173.9 | 178.1 | 179.4 | -174.9 | -0.2 | 111.7 | T119 V120 L127 | T119-R123 WeakPolarHBondContact O-CB 3.32Å; T119-R123 PolarHBondContact O-N 3.27Å; V120-R123 PolarHBondContact O-N 2.91Å; R123-L127 WeakPolarHBondContact O-CG 3.39Å; R123-L127 PolarHBondContact O-N 3.48Å |
| 124 | W | 72.7 | Confident | 86.5 | Confident | 175 Ų | 175 | 117.6 Ų | 117.6 | 66% | 0.663 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.1 | -42.7 | 174.8 | -89.3 | 94.7 | 0 | 0 | 0 | 112.3 | V120 E121 R126 L127 E128 | V120-W124 PolarHBondContact O-N 3.2Å; E121-W124 PolarHBondContact O-N 2.97Å; W124-R126 VanDerWaalsContact C-N 3.33Å; W124-R126 PolarHBondContact O-N 3.05Å; W124-L127 WeakPolarHBondContact O-CB 3.39Å; W124-L127 PolarHBondContact O-N 3.22Å; W124-L127 VanDerWaalsContact O-N 3.11Å; W124-E128 PolarHBondContact O-N 2.69Å |
| 125 | R | 90.4 | Very high | 86.3 | Confident | 168 Ų | 168 | 118.6 Ų | 118.6 | 63% | 0.634 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -57.3 | -44.5 | 176.3 | -174.3 | -173 | -56.4 | -120.7 | -1.2 | 111.8 | E121 E122 L127 E128 E129 | E121-R125 VanDerWaalsContact O-CB 3.25Å; E121-R125 WeakPolarHBondContact O-CB 3.35Å; E121-R125 PolarHBondContact O-N 2.81Å; E122-R125 PolarHBondContact O-N 3.08Å; R125-L127 VanDerWaalsContact C-N 3.32Å; R125-L127 PolarHBondContact O-N 3.06Å; R125-E128 PolarHBondContact O-N 2.84Å; R125-E129 VanDerWaalsContact O-CB 3.31Å; R125-E129 WeakPolarHBondContact O-CB 3.45Å; R125-E129 PolarHBondContact O-N 3.15Å |
| 126 | R | 88.3 | Confident | 86.4 | Confident | 154 Ų | 154 | 119 Ų | 119 | 58% | 0.581 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.8 | -33.6 | 177 | -68.4 | 172.2 | -173.1 | -159.4 | 4.7 | 112.6 | E122 W124 Q130 | E122-R126 VanDerWaalsContact O-CG 3.32Å; E122-R126 WeakPolarHBondContact O-CG 3.36Å; E122-R126 PolarHBondContact O-N 3.4Å; E122-R126 IonicContact OE1-CZ 2.69Å; E122-R126 IonicContact OE1-NE 2.84Å; E122-R126 PolarHBondContact OE1-NE 2.88Å; E122-R126 IonicContact OE1-NH2 3.16Å; E122-R126 PolarHBondContact OE1-NH2 3.29Å; W124-R126 VanDerWaalsContact C-N 3.33Å; W124-R126 PolarHBondContact O-N 3.05Å; R126-Q130 WeakPolarHBondContact O-CG 3.3Å; R126-Q130 PolarHBondContact O-N 2.93Å |
| 127 | L | 84.6 | Confident | 86.7 | Confident | 94 Ų | 94 | 119.6 Ų | 119.6 | 49% | 0.492 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -72.5 | -44 | 174.5 | -71.1 | 169.8 | 0 | 0 | 0 | 112 | R123 W124 R125 E129 Q130 R131 | R123-L127 WeakPolarHBondContact O-CG 3.39Å; R123-L127 PolarHBondContact O-N 3.48Å; W124-L127 WeakPolarHBondContact O-CB 3.39Å; W124-L127 PolarHBondContact O-N 3.22Å; W124-L127 VanDerWaalsContact O-N 3.11Å; R125-L127 VanDerWaalsContact C-N 3.32Å; R125-L127 PolarHBondContact O-N 3.06Å; L127-E129 VanDerWaalsContact C-N 3.33Å; L127-E129 PolarHBondContact O-N 3.33Å; L127-Q130 WeakPolarHBondContact O-CB 3.32Å; L127-Q130 PolarHBondContact O-N 3.34Å; L127-R131 PolarHBondContact O-N 2.88Å |
| 128 | E | 86.7 | Confident | 86.8 | Confident | 65 Ų | 65 | 122.2 Ų | 122.2 | 30% | 0.304 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.5 | -33.8 | 177.4 | -168.5 | 62.7 | -158.8 | 0 | 0 | 111.4 | W124 R125 R131 Q132 | W124-E128 PolarHBondContact O-N 2.69Å; R125-E128 PolarHBondContact O-N 2.84Å; E128-R131 VanDerWaalsContact CD-NH1 3.3Å; E128-R131 WeakPolarHBondContact O-CB 3.16Å; E128-R131 PolarHBondContact O-N 2.66Å; E128-R131 IonicContact OE1-CZ 3.46Å; E128-R131 IonicContact OE1-NE 2.67Å; E128-R131 IonicContact OE1-NH1 3.4Å; E128-R131 PolarHBondContact OE1-NH1 2.97Å; E128-R131 WeakPolarHBondContact OE2-CD 3.5Å; E128-R131 IonicContact OE2-CZ 2.67Å; E128-R131 IonicContact OE2-NH1 2.97Å; E128-R131 PolarHBondContact OE2-NH1 3.19Å; E128-Q132 WeakPolarHBondContact O-CB 3.49Å; E128-Q132 WeakPolarHBondContact O-CG 3.45Å; E128-Q132 PolarHBondContact O-N 2.82Å |
| 129 | E | 90.1 | Very high | 86.8 | Confident | 88 Ų | 88 | 116.9 Ų | 116.9 | 41% | 0.411 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.2 | -38.4 | 171.1 | -168.2 | -166.8 | 150.6 | 0 | 0 | 112.1 | R125 L127 K133 | R125-E129 VanDerWaalsContact O-CB 3.31Å; R125-E129 WeakPolarHBondContact O-CB 3.45Å; R125-E129 PolarHBondContact O-N 3.15Å; L127-E129 VanDerWaalsContact C-N 3.33Å; L127-E129 PolarHBondContact O-N 3.33Å; E129-K133 HydrophobicContact CG-CD 4.48Å; E129-K133 WeakPolarHBondContact O-CB 3.49Å; E129-K133 VanDerWaalsContact O-CG 3.3Å; E129-K133 WeakPolarHBondContact O-CG 3.42Å; E129-K133 PolarHBondContact O-N 2.85Å; E129-K133 VanDerWaalsContact OE1-CE 3.29Å; E129-K133 WeakPolarHBondContact OE1-CE 3.32Å; E129-K133 IonicContact OE1-NZ 3.19Å; E129-K133 PolarHBondContact OE1-NZ 2.87Å |
| 130 | Q | 86.8 | Confident | 87.3 | Confident | 138 Ų | 138 | 115.2 Ų | 115.2 | 65% | 0.645 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.5 | -42.2 | 171.9 | -78.3 | -171.8 | -6.6 | 0 | 0 | 111.7 | R126 L127 K133 E134 | R126-Q130 WeakPolarHBondContact O-CG 3.3Å; R126-Q130 PolarHBondContact O-N 2.93Å; L127-Q130 WeakPolarHBondContact O-CB 3.32Å; L127-Q130 PolarHBondContact O-N 3.34Å; Q130-K133 PolarHBondContact O-N 3.44Å; Q130-E134 PolarHBondContact O-N 3.01Å |
| 131 | R | 89.8 | Confident | 87.8 | Confident | 136 Ų | 136 | 117.7 Ų | 117.7 | 51% | 0.513 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60 | -47.9 | 174.5 | 177 | -175.8 | 160.5 | -154.3 | -4.2 | 111.5 | L127 E128 K133 E134 E135 | L127-R131 PolarHBondContact O-N 2.88Å; E128-R131 VanDerWaalsContact CD-NH1 3.3Å; E128-R131 WeakPolarHBondContact O-CB 3.16Å; E128-R131 PolarHBondContact O-N 2.66Å; E128-R131 IonicContact OE1-CZ 3.46Å; E128-R131 IonicContact OE1-NE 2.67Å; E128-R131 IonicContact OE1-NH1 3.4Å; E128-R131 PolarHBondContact OE1-NH1 2.97Å; E128-R131 WeakPolarHBondContact OE2-CD 3.5Å; E128-R131 IonicContact OE2-CZ 2.67Å; E128-R131 IonicContact OE2-NH1 2.97Å; E128-R131 PolarHBondContact OE2-NH1 3.19Å; R131-K133 VanDerWaalsContact C-N 3.32Å; R131-K133 PolarHBondContact O-N 2.98Å; R131-E134 CarbonylContact O-C 3.56Å; R131-E134 WeakPolarHBondContact O-CA 3.5Å; R131-E134 WeakPolarHBondContact O-CB 3.48Å; R131-E134 PolarHBondContact O-N 3.13Å; R131-E135 WeakPolarHBondContact O-CB 3.42Å; R131-E135 PolarHBondContact O-N 2.91Å |
| 132 | Q | 83 | Confident | 87.9 | Confident | 103 Ų | 103 | 119.4 Ų | 119.4 | 48% | 0.481 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62 | -37.9 | 176.3 | -73.4 | 176.6 | 6.4 | 0 | 0 | 112.2 | E128 E134 E135 L136 | E128-Q132 WeakPolarHBondContact O-CB 3.49Å; E128-Q132 WeakPolarHBondContact O-CG 3.45Å; E128-Q132 PolarHBondContact O-N 2.82Å; Q132-E134 VanDerWaalsContact C-N 3.31Å; Q132-E134 PolarHBondContact O-N 3.32Å; Q132-E135 PolarHBondContact O-N 3.45Å; Q132-L136 WeakPolarHBondContact O-CB 3.46Å; Q132-L136 VanDerWaalsContact O-CG 3.32Å; Q132-L136 WeakPolarHBondContact O-CG 3.28Å; Q132-L136 PolarHBondContact O-N 3.3Å |
| 133 | K | 90.3 | Very high | 88.2 | Confident | 106 Ų | 106 | 120 Ų | 120 | 46% | 0.461 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.6 | -28.7 | 173.2 | -75.4 | 172.3 | -177.8 | 173.3 | 0 | 113.1 | E129 Q130 R131 R137 | E129-K133 HydrophobicContact CG-CD 4.48Å; E129-K133 WeakPolarHBondContact O-CB 3.49Å; E129-K133 VanDerWaalsContact O-CG 3.3Å; E129-K133 WeakPolarHBondContact O-CG 3.42Å; E129-K133 PolarHBondContact O-N 2.85Å; E129-K133 VanDerWaalsContact OE1-CE 3.29Å; E129-K133 WeakPolarHBondContact OE1-CE 3.32Å; E129-K133 IonicContact OE1-NZ 3.19Å; E129-K133 PolarHBondContact OE1-NZ 2.87Å; Q130-K133 PolarHBondContact O-N 3.44Å; R131-K133 VanDerWaalsContact C-N 3.32Å; R131-K133 PolarHBondContact O-N 2.98Å; K133-R137 WeakPolarHBondContact O-CD 3.5Å; K133-R137 VanDerWaalsContact O-CG 3.28Å; K133-R137 WeakPolarHBondContact O-CG 3.47Å |
| 134 | E | 88.1 | Confident | 88.7 | Confident | 90 Ų | 90 | 117.9 Ų | 117.9 | 42% | 0.421 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -75.6 | -42.7 | 169.7 | -154.7 | -157.1 | 159.5 | 0 | 0 | 111.5 | Q130 R131 Q132 L136 R137 R138 | Q130-E134 PolarHBondContact O-N 3.01Å; R131-E134 CarbonylContact O-C 3.56Å; R131-E134 WeakPolarHBondContact O-CA 3.5Å; R131-E134 WeakPolarHBondContact O-CB 3.48Å; R131-E134 PolarHBondContact O-N 3.13Å; Q132-E134 VanDerWaalsContact C-N 3.31Å; Q132-E134 PolarHBondContact O-N 3.32Å; E134-L136 PolarHBondContact O-N 3.27Å; E134-R137 CarbonylContact O-C 3.6Å; E134-R137 WeakPolarHBondContact O-CA 3.41Å; E134-R137 WeakPolarHBondContact O-CB 3.3Å; E134-R137 PolarHBondContact O-N 2.66Å; E134-R138 WeakPolarHBondContact O-CG 3.38Å; E134-R138 PolarHBondContact O-N 3.37Å; E134-R138 IonicContact OE1-CZ 3.84Å; E134-R138 IonicContact OE1-NE 3.38Å; E134-R138 PolarHBondContact OE1-NE 3.48Å; E134-R138 IonicContact OE1-NH2 3.34Å; E134-R138 PolarHBondContact OE1-NH2 3.2Å; E134-R138 IonicContact OE2-CZ 3.8Å; E134-R138 IonicContact OE2-NE 3.15Å; E134-R138 IonicContact OE2-NH2 2.66Å; E134-R138 PolarHBondContact OE2-NH2 3.07Å; E134-R138 VanDerWaalsContact OE2-NH2 3.16Å |
| 135 | E | 88.4 | Confident | 89.3 | Confident | 103 Ų | 103 | 118.6 Ų | 118.6 | 48% | 0.481 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.8 | -42 | 179.5 | -170.2 | 160.6 | -157.1 | 0 | 0 | 111.6 | R131 Q132 R137 R138 A139 | R131-E135 WeakPolarHBondContact O-CB 3.42Å; R131-E135 PolarHBondContact O-N 2.91Å; Q132-E135 PolarHBondContact O-N 3.45Å; E135-R137 VanDerWaalsContact C-N 3.32Å; E135-R137 PolarHBondContact O-N 3.11Å; E135-R138 PolarHBondContact O-N 2.93Å; E135-A139 VanDerWaalsContact O-CB 3.25Å; E135-A139 WeakPolarHBondContact O-CB 3.46Å; E135-A139 PolarHBondContact O-N 3.18Å |
| 136 | L | 89.3 | Confident | 89.2 | Confident | 126 Ų | 126 | 118 Ų | 118 | 66% | 0.66 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.4 | -36 | 170.7 | -73.2 | 169.7 | 0 | 0 | 0 | 113 | Q132 E134 A140 | Q132-L136 WeakPolarHBondContact O-CB 3.46Å; Q132-L136 VanDerWaalsContact O-CG 3.32Å; Q132-L136 WeakPolarHBondContact O-CG 3.28Å; Q132-L136 PolarHBondContact O-N 3.3Å; E134-L136 PolarHBondContact O-N 3.27Å; L136-A140 WeakPolarHBondContact O-CB 3.41Å; L136-A140 PolarHBondContact O-N 3.16Å |
| 137 | R | 90.9 | Very high | 89.5 | Confident | 181 Ų | 181 | 114.2 Ų | 114.2 | 68% | 0.683 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -71.2 | -41.4 | 175.3 | -71.5 | 166.5 | 176.8 | 165.2 | -2.9 | 111.6 | K133 E134 E135 A140 V141 | K133-R137 WeakPolarHBondContact O-CD 3.5Å; K133-R137 VanDerWaalsContact O-CG 3.28Å; K133-R137 WeakPolarHBondContact O-CG 3.47Å; E134-R137 CarbonylContact O-C 3.6Å; E134-R137 WeakPolarHBondContact O-CA 3.41Å; E134-R137 WeakPolarHBondContact O-CB 3.3Å; E134-R137 PolarHBondContact O-N 2.66Å; E135-R137 VanDerWaalsContact C-N 3.32Å; E135-R137 PolarHBondContact O-N 3.11Å; R137-A140 PolarHBondContact O-N 3.28Å; R137-V141 WeakPolarHBondContact O-CG2 3.37Å; R137-V141 PolarHBondContact O-N 2.78Å; R137-V141 VanDerWaalsContact O-N 3.11Å |
| 138 | R | 90.8 | Very high | 89.9 | Confident | 156 Ų | 156 | 114.9 Ų | 114.9 | 59% | 0.589 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.4 | -47.9 | 174.5 | -69.1 | 176.6 | -177.8 | -168 | 6 | 110.3 | E134 E135 A140 V141 E142 | E134-R138 WeakPolarHBondContact O-CG 3.38Å; E134-R138 PolarHBondContact O-N 3.37Å; E134-R138 IonicContact OE1-CZ 3.84Å; E134-R138 IonicContact OE1-NE 3.38Å; E134-R138 PolarHBondContact OE1-NE 3.48Å; E134-R138 IonicContact OE1-NH2 3.34Å; E134-R138 PolarHBondContact OE1-NH2 3.2Å; E134-R138 IonicContact OE2-CZ 3.8Å; E134-R138 IonicContact OE2-NE 3.15Å; E134-R138 IonicContact OE2-NH2 2.66Å; E134-R138 PolarHBondContact OE2-NH2 3.07Å; E134-R138 VanDerWaalsContact OE2-NH2 3.16Å; E135-R138 PolarHBondContact O-N 2.93Å; R138-A140 PolarHBondContact O-N 2.98Å; R138-V141 PolarHBondContact O-N 3.32Å; R138-V141 VanDerWaalsContact O-N 3.15Å; R138-E142 WeakPolarHBondContact O-CB 3.45Å; R138-E142 PolarHBondContact O-N 3.47Å |
| 139 | A | 88.4 | Confident | 90.2 | Very high | 49 Ų | 49 | 116.8 Ų | 116.8 | 41% | 0.405 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60 | -42.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E135 V141 E142 E143 | E135-A139 VanDerWaalsContact O-CB 3.25Å; E135-A139 WeakPolarHBondContact O-CB 3.46Å; E135-A139 PolarHBondContact O-N 3.18Å; A139-V141 VanDerWaalsContact C-N 3.32Å; A139-V141 PolarHBondContact O-N 3.46Å; A139-E142 PolarHBondContact O-N 3.28Å; A139-E143 VanDerWaalsContact O-CB 3.3Å; A139-E143 WeakPolarHBondContact O-CB 3.49Å; A139-E143 PolarHBondContact O-N 3.15Å |
| 140 | A | 92.9 | Very high | 90.2 | Very high | 49 Ų | 49 | 116.1 Ų | 116.1 | 41% | 0.405 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.5 | -30.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L136 R137 R138 K144 | L136-A140 WeakPolarHBondContact O-CB 3.41Å; L136-A140 PolarHBondContact O-N 3.16Å; R137-A140 PolarHBondContact O-N 3.28Å; R138-A140 PolarHBondContact O-N 2.98Å; A140-K144 WeakPolarHBondContact O-CG 3.28Å; A140-K144 PolarHBondContact O-N 3.41Å; A140-K144 VanDerWaalsContact O-N 3.17Å |
| 141 | V | 95.2 | Very high | 90.5 | Very high | 103 Ų | 103 | 114.5 Ų | 114.5 | 62% | 0.624 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -75 | -39.2 | 173.3 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | R137 R138 A139 K144 R145 | R137-V141 WeakPolarHBondContact O-CG2 3.37Å; R137-V141 PolarHBondContact O-N 2.78Å; R137-V141 VanDerWaalsContact O-N 3.11Å; R138-V141 PolarHBondContact O-N 3.32Å; R138-V141 VanDerWaalsContact O-N 3.15Å; A139-V141 VanDerWaalsContact C-N 3.32Å; A139-V141 PolarHBondContact O-N 3.46Å; V141-K144 PolarHBondContact O-N 3.03Å; V141-R145 WeakPolarHBondContact O-CB 3.33Å; V141-R145 PolarHBondContact O-N 2.83Å |
| 142 | E | 92 | Very high | 90.7 | Very high | 139 Ų | 139 | 113.8 Ų | 113.8 | 65% | 0.65 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.6 | -39 | 175.6 | -174.3 | 165.8 | -159.7 | 0 | 0 | 111.9 | R138 A139 R145 R146 | R138-E142 WeakPolarHBondContact O-CB 3.45Å; R138-E142 PolarHBondContact O-N 3.47Å; A139-E142 PolarHBondContact O-N 3.28Å; E142-R145 WeakPolarHBondContact O-CB 3.29Å; E142-R145 PolarHBondContact O-N 2.57Å; E142-R146 WeakPolarHBondContact O-CB 3.35Å; E142-R146 PolarHBondContact O-N 2.99Å |
| 143 | E | 92.2 | Very high | 91.3 | Very high | 109 Ų | 109 | 116.4 Ų | 116.4 | 51% | 0.509 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.2 | -49.5 | 171.6 | -166.6 | -156.4 | 168.3 | 0 | 0 | 110.5 | A139 R145 R146 Q147 | A139-E143 VanDerWaalsContact O-CB 3.3Å; A139-E143 WeakPolarHBondContact O-CB 3.49Å; A139-E143 PolarHBondContact O-N 3.15Å; E143-R145 VanDerWaalsContact C-N 3.28Å; E143-R145 PolarHBondContact O-N 3.43Å; E143-R146 CarbonylContact O-C 3.6Å; E143-R146 WeakPolarHBondContact O-CA 3.49Å; E143-R146 WeakPolarHBondContact O-CB 3.44Å; E143-R146 PolarHBondContact O-N 3.49Å; E143-R146 VanDerWaalsContact O-N 3.09Å; E143-Q147 VanDerWaalsContact CD-NE2 3.32Å; E143-Q147 HydrophobicContact CG-CG 4.5Å; E143-Q147 WeakPolarHBondContact O-CG 3.42Å; E143-Q147 PolarHBondContact O-N 3.11Å; E143-Q147 PolarHBondContact OE1-NE2 3.09Å |
| 144 | K | 92.3 | Very high | 91.6 | Very high | 144 Ų | 144 | 117.7 Ų | 117.7 | 63% | 0.626 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.4 | -38.6 | 174.6 | -79.6 | -167.9 | 173.2 | -164.1 | 0 | 112.9 | A140 V141 R146 Q147 Q148 | A140-K144 WeakPolarHBondContact O-CG 3.28Å; A140-K144 PolarHBondContact O-N 3.41Å; A140-K144 VanDerWaalsContact O-N 3.17Å; V141-K144 PolarHBondContact O-N 3.03Å; K144-R146 VanDerWaalsContact C-N 3.33Å; K144-Q147 PolarHBondContact O-N 3.23Å; K144-Q148 WeakPolarHBondContact O-CG 3.42Å; K144-Q148 PolarHBondContact O-N 3.28Å |
| 145 | R | 85.7 | Confident | 92 | Very high | 190 Ų | 190 | 122.2 Ų | 122.2 | 72% | 0.717 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.7 | -37.9 | 175.4 | -172.2 | 176.8 | -173.4 | 156.9 | 4.2 | 111.7 | V141 E142 E143 L149 | V141-R145 WeakPolarHBondContact O-CB 3.33Å; V141-R145 PolarHBondContact O-N 2.83Å; E142-R145 WeakPolarHBondContact O-CB 3.29Å; E142-R145 PolarHBondContact O-N 2.57Å; E143-R145 VanDerWaalsContact C-N 3.28Å; E143-R145 PolarHBondContact O-N 3.43Å; R145-L149 WeakPolarHBondContact O-CG 3.43Å; R145-L149 PolarHBondContact O-N 3.46Å |
| 146 | R | 88.4 | Confident | 92.4 | Very high | 154 Ų | 154 | 123 Ų | 123 | 58% | 0.581 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67 | -48.4 | 173.4 | 178.3 | -174.8 | 162.5 | 166.5 | 0.6 | 111.3 | E142 E143 K144 Q148 L149 E150 | E142-R146 WeakPolarHBondContact O-CB 3.35Å; E142-R146 PolarHBondContact O-N 2.99Å; E143-R146 CarbonylContact O-C 3.6Å; E143-R146 WeakPolarHBondContact O-CA 3.49Å; E143-R146 WeakPolarHBondContact O-CB 3.44Å; E143-R146 PolarHBondContact O-N 3.49Å; E143-R146 VanDerWaalsContact O-N 3.09Å; K144-R146 VanDerWaalsContact C-N 3.33Å; R146-Q148 VanDerWaalsContact C-N 3.27Å; R146-Q148 PolarHBondContact O-N 3.34Å; R146-L149 CarbonylContact O-C 3.59Å; R146-L149 PolarHBondContact O-N 3.06Å; R146-E150 IonicContact CZ-OE2 2.66Å; R146-E150 IonicContact NE-OE2 3.37Å; R146-E150 PolarHBondContact NE-OE2 2.76Å; R146-E150 IonicContact NH2-OE1 3.16Å; R146-E150 PolarHBondContact NH2-OE1 2.81Å; R146-E150 IonicContact NH2-OE2 3.23Å; R146-E150 PolarHBondContact NH2-OE2 3.18Å; R146-E150 VanDerWaalsContact NH2-OE2 3.11Å; R146-E150 WeakPolarHBondContact O-CB 3.43Å; R146-E150 PolarHBondContact O-N 2.83Å |
| 147 | Q | 93.9 | Very high | 92.7 | Very high | 76 Ų | 76 | 120.5 Ų | 120.5 | 36% | 0.355 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -52.4 | -46 | 176.5 | -73 | 169.5 | -0 | 0 | 0 | 110.7 | E143 K144 L149 E150 E151 | E143-Q147 VanDerWaalsContact CD-NE2 3.32Å; E143-Q147 HydrophobicContact CG-CG 4.5Å; E143-Q147 WeakPolarHBondContact O-CG 3.42Å; E143-Q147 PolarHBondContact O-N 3.11Å; E143-Q147 PolarHBondContact OE1-NE2 3.09Å; K144-Q147 PolarHBondContact O-N 3.23Å; Q147-L149 PolarHBondContact O-N 3.31Å; Q147-E150 CarbonylContact O-C 3.56Å; Q147-E150 PolarHBondContact O-N 3.47Å; Q147-E151 WeakPolarHBondContact O-CB 3.47Å; Q147-E151 WeakPolarHBondContact O-CG 3.33Å; Q147-E151 PolarHBondContact O-N 2.96Å |
| 148 | Q | 93.3 | Very high | 92.9 | Very high | 108 Ų | 108 | 114.5 Ų | 114.5 | 51% | 0.505 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 175.7 | -70.6 | -66.7 | -80.1 | 0 | 0 | 113.7 | K144 R146 E150 E151 E152 | K144-Q148 WeakPolarHBondContact O-CG 3.42Å; K144-Q148 PolarHBondContact O-N 3.28Å; R146-Q148 VanDerWaalsContact C-N 3.27Å; R146-Q148 PolarHBondContact O-N 3.34Å; Q148-E150 VanDerWaalsContact C-N 3.33Å; Q148-E151 PolarHBondContact NE2-OE1 3.17Å; Q148-E151 VanDerWaalsContact NE2-OE1 3.15Å; Q148-E151 PolarHBondContact NE2-OE2 2.77Å; Q148-E152 WeakPolarHBondContact O-CB 3.33Å; Q148-E152 WeakPolarHBondContact O-CG 3.4Å; Q148-E152 PolarHBondContact O-N 3.45Å |
| 149 | L | 92 | Very high | 93.2 | Very high | 105 Ų | 105 | 111.8 Ų | 111.8 | 55% | 0.55 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.3 | -31.3 | 175 | -68.8 | 168.8 | 0 | 0 | 0 | 112.6 | R145 R146 Q147 R153 | R145-L149 WeakPolarHBondContact O-CG 3.43Å; R145-L149 PolarHBondContact O-N 3.46Å; R146-L149 CarbonylContact O-C 3.59Å; R146-L149 PolarHBondContact O-N 3.06Å; Q147-L149 PolarHBondContact O-N 3.31Å; L149-R153 VanDerWaalsContact O-CB 3.26Å; L149-R153 WeakPolarHBondContact O-CB 3.47Å; L149-R153 PolarHBondContact O-N 3.37Å |
| 150 | E | 90.2 | Very high | 93.6 | Very high | 73 Ų | 73 | 115 Ų | 115 | 34% | 0.341 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -75.2 | -40.4 | 177.8 | -152.3 | 136.5 | -147 | 0 | 0 | 110 | R146 Q147 Q148 R153 E154 | R146-E150 IonicContact CZ-OE2 2.66Å; R146-E150 IonicContact NE-OE2 3.37Å; R146-E150 PolarHBondContact NE-OE2 2.76Å; R146-E150 IonicContact NH2-OE1 3.16Å; R146-E150 PolarHBondContact NH2-OE1 2.81Å; R146-E150 IonicContact NH2-OE2 3.23Å; R146-E150 PolarHBondContact NH2-OE2 3.18Å; R146-E150 VanDerWaalsContact NH2-OE2 3.11Å; R146-E150 WeakPolarHBondContact O-CB 3.43Å; R146-E150 PolarHBondContact O-N 2.83Å; Q147-E150 CarbonylContact O-C 3.56Å; Q147-E150 PolarHBondContact O-N 3.47Å; Q148-E150 VanDerWaalsContact C-N 3.33Å; E150-R153 WeakPolarHBondContact O-CB 3.32Å; E150-R153 PolarHBondContact O-N 3.03Å; E150-E154 WeakPolarHBondContact O-CB 3.23Å; E150-E154 WeakPolarHBondContact O-CG 3.31Å; E150-E154 PolarHBondContact O-N 3.31Å |
| 151 | E | 93.6 | Very high | 93.7 | Very high | 105 Ų | 105 | 118.4 Ų | 118.4 | 49% | 0.491 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 168.9 | -75.5 | 171.2 | -140.8 | 0 | 0 | 112.8 | Q147 Q148 R153 E154 R155 | Q147-E151 WeakPolarHBondContact O-CB 3.47Å; Q147-E151 WeakPolarHBondContact O-CG 3.33Å; Q147-E151 PolarHBondContact O-N 2.96Å; Q148-E151 PolarHBondContact NE2-OE1 3.17Å; Q148-E151 VanDerWaalsContact NE2-OE1 3.15Å; Q148-E151 PolarHBondContact NE2-OE2 2.77Å; E151-R153 VanDerWaalsContact C-N 3.33Å; E151-R153 PolarHBondContact O-N 3.5Å; E151-E154 PolarHBondContact O-N 2.78Å; E151-R155 VanDerWaalsContact O-CB 3.23Å; E151-R155 WeakPolarHBondContact O-CB 3.47Å; E151-R155 PolarHBondContact O-N 3.45Å |
| 152 | E | 94.8 | Very high | 93.8 | Very high | 121 Ų | 121 | 121.4 Ų | 121.4 | 57% | 0.565 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63 | -40.7 | 175.5 | -78.9 | -169.6 | 150.6 | 0 | 0 | 111.4 | Q148 R155 L156 | Q148-E152 WeakPolarHBondContact O-CB 3.33Å; Q148-E152 WeakPolarHBondContact O-CG 3.4Å; Q148-E152 PolarHBondContact O-N 3.45Å; E152-R155 PolarHBondContact O-N 2.91Å; E152-L156 WeakPolarHBondContact O-CG 3.26Å; E152-L156 PolarHBondContact O-N 3.03Å |
| 153 | R | 95.4 | Very high | 93.9 | Very high | 157 Ų | 157 | 117.7 Ų | 117.7 | 59% | 0.592 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.9 | -49.4 | 174.2 | 178.3 | -175.1 | 173 | -166.6 | -1.9 | 111.7 | L149 E150 E151 R155 L156 E157 | L149-R153 VanDerWaalsContact O-CB 3.26Å; L149-R153 WeakPolarHBondContact O-CB 3.47Å; L149-R153 PolarHBondContact O-N 3.37Å; E150-R153 WeakPolarHBondContact O-CB 3.32Å; E150-R153 PolarHBondContact O-N 3.03Å; E151-R153 VanDerWaalsContact C-N 3.33Å; E151-R153 PolarHBondContact O-N 3.5Å; R153-R155 VanDerWaalsContact C-N 3.29Å; R153-R155 PolarHBondContact O-N 2.86Å; R153-L156 PolarHBondContact O-N 3.41Å; R153-E157 WeakPolarHBondContact O-CB 3.49Å; R153-E157 PolarHBondContact O-N 2.98Å |
| 154 | E | 95.8 | Very high | 94 | Very high | 133 Ų | 133 | 117.6 Ų | 117.6 | 62% | 0.621 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.2 | -38.4 | 176.9 | -77.7 | -169 | 173.2 | 0 | 0 | 111.7 | E150 E151 E157 A158 | E150-E154 WeakPolarHBondContact O-CB 3.23Å; E150-E154 WeakPolarHBondContact O-CG 3.31Å; E150-E154 PolarHBondContact O-N 3.31Å; E151-E154 PolarHBondContact O-N 2.78Å; E154-E157 PolarHBondContact O-N 3.42Å; E154-A158 VanDerWaalsContact O-CB 3.22Å; E154-A158 WeakPolarHBondContact O-CB 3.45Å; E154-A158 PolarHBondContact O-N 3.42Å |
| 155 | R | 97.1 | Very high | 94 | Very high | 186 Ų | 186 | 115.9 Ų | 115.9 | 70% | 0.702 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.4 | -42.4 | 175.1 | -178.5 | 177.5 | -179.5 | 163.9 | 0.6 | 112.3 | E151 E152 R153 L159 | E151-R155 VanDerWaalsContact O-CB 3.23Å; E151-R155 WeakPolarHBondContact O-CB 3.47Å; E151-R155 PolarHBondContact O-N 3.45Å; E152-R155 PolarHBondContact O-N 2.91Å; R153-R155 VanDerWaalsContact C-N 3.29Å; R153-R155 PolarHBondContact O-N 2.86Å; R155-L159 WeakPolarHBondContact O-CB 3.35Å; R155-L159 VanDerWaalsContact O-CG 3.31Å; R155-L159 WeakPolarHBondContact O-CG 3.25Å; R155-L159 PolarHBondContact O-N 3.24Å |
| 156 | L | 96.6 | Very high | 94.4 | Very high | 120 Ų | 120 | 113 Ų | 113 | 63% | 0.628 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.9 | -41.1 | 174.3 | -72.2 | 168.6 | 0 | 0 | 0 | 111.6 | E152 R153 L159 M160 | E152-L156 WeakPolarHBondContact O-CG 3.26Å; E152-L156 PolarHBondContact O-N 3.03Å; R153-L156 PolarHBondContact O-N 3.41Å; L156-L159 PolarHBondContact O-N 2.99Å; L156-M160 WeakPolarHBondContact O-CB 3.42Å; L156-M160 PolarHBondContact O-N 3Å |
| 157 | E | 95.3 | Very high | 94.5 | Very high | 72 Ų | 72 | 108.7 Ų | 108.7 | 34% | 0.336 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66 | -39.9 | 176.6 | -165.7 | -178.8 | 128 | 0 | 0 | 111.9 | R153 E154 M160 K161 | R153-E157 WeakPolarHBondContact O-CB 3.49Å; R153-E157 PolarHBondContact O-N 2.98Å; E154-E157 PolarHBondContact O-N 3.42Å; E157-M160 PolarHBondContact O-N 3.44Å; E157-K161 HydrophobicContact CG-CD 4.4Å; E157-K161 WeakPolarHBondContact O-CB 3.22Å; E157-K161 WeakPolarHBondContact O-CG 3.39Å; E157-K161 PolarHBondContact O-N 3.27Å; E157-K161 WeakPolarHBondContact OE1-CE 3.45Å; E157-K161 IonicContact OE1-NZ 2.93Å; E157-K161 PolarHBondContact OE1-NZ 3Å |
| 158 | A | 95.8 | Very high | 94.2 | Very high | 56 Ų | 56 | 109.5 Ų | 109.5 | 46% | 0.463 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.1 | -38.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E154 R162 | E154-A158 VanDerWaalsContact O-CB 3.22Å; E154-A158 WeakPolarHBondContact O-CB 3.45Å; E154-A158 PolarHBondContact O-N 3.42Å; A158-R162 VanDerWaalsContact O-CB 3.22Å; A158-R162 WeakPolarHBondContact O-CB 3.45Å; A158-R162 PolarHBondContact O-N 3.42Å |
| 159 | L | 96.8 | Very high | 93.7 | Very high | 99 Ų | 99 | 109 Ų | 109 | 52% | 0.518 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 170.9 | -77.6 | 168.7 | 0 | 0 | 0 | 111.5 | R155 L156 R162 S163 | R155-L159 WeakPolarHBondContact O-CB 3.35Å; R155-L159 VanDerWaalsContact O-CG 3.31Å; R155-L159 WeakPolarHBondContact O-CG 3.25Å; R155-L159 PolarHBondContact O-N 3.24Å; L156-L159 PolarHBondContact O-N 2.99Å; L159-R162 PolarHBondContact O-N 2.78Å; L159-S163 WeakPolarHBondContact O-CB 3.48Å; L159-S163 PolarHBondContact O-N 3.37Å |
| 160 | M | 95.9 | Very high | 93.1 | Very high | 115 Ų | 115 | 109.3 Ų | 109.3 | 57% | 0.567 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.8 | -48.4 | 176.6 | -170.6 | 174.6 | 70.3 | 0 | 0 | 111.5 | L156 E157 R162 S163 L164 | L156-M160 WeakPolarHBondContact O-CB 3.42Å; L156-M160 PolarHBondContact O-N 3Å; E157-M160 PolarHBondContact O-N 3.44Å; M160-R162 PolarHBondContact O-N 3.21Å; M160-S163 WeakPolarHBondContact O-CA 3.34Å; M160-S163 WeakPolarHBondContact O-CB 3.25Å; M160-S163 PolarHBondContact O-N 3.05Å; M160-L164 HydrophobicContact CG-CD1 4.27Å; M160-L164 WeakPolarHBondContact O-CG 3.45Å; M160-L164 PolarHBondContact O-N 2.75Å |
| 161 | K | 95.7 | Very high | 92.6 | Very high | 121 Ų | 121 | 110.3 Ų | 110.3 | 53% | 0.526 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -56.4 | -48 | 174.1 | -75.4 | 172 | 179.5 | 168.4 | 0 | 111.6 | E157 S163 L164 E165 | E157-K161 HydrophobicContact CG-CD 4.4Å; E157-K161 WeakPolarHBondContact O-CB 3.22Å; E157-K161 WeakPolarHBondContact O-CG 3.39Å; E157-K161 PolarHBondContact O-N 3.27Å; E157-K161 WeakPolarHBondContact OE1-CE 3.45Å; E157-K161 IonicContact OE1-NZ 2.93Å; E157-K161 PolarHBondContact OE1-NZ 3Å; K161-S163 PolarHBondContact O-N 3.43Å; K161-L164 PolarHBondContact O-N 3.1Å; K161-E165 WeakPolarHBondContact O-CB 3.31Å; K161-E165 PolarHBondContact O-N 3.14Å |
| 162 | R | 96.4 | Very high | 91.9 | Very high | 166 Ų | 166 | 111.1 Ų | 111.1 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.6 | -21.2 | 175.6 | -172.6 | 172.9 | -178.8 | 170 | 2.1 | 113.3 | A158 L159 M160 R166 | A158-R162 VanDerWaalsContact O-CB 3.22Å; A158-R162 WeakPolarHBondContact O-CB 3.45Å; A158-R162 PolarHBondContact O-N 3.42Å; L159-R162 PolarHBondContact O-N 2.78Å; M160-R162 PolarHBondContact O-N 3.21Å; R162-R166 WeakPolarHBondContact O-CB 3.43Å; R162-R166 VanDerWaalsContact O-CG 3.26Å; R162-R166 WeakPolarHBondContact O-CG 3.48Å; R162-R166 PolarHBondContact O-N 2.93Å; R162-R166 PolarHBondContact O-NE 2.91Å |
| 163 | S | 95.3 | Very high | 90.7 | Very high | 61 Ų | 61 | 113.3 Ų | 113.3 | 43% | 0.427 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -76 | -49.3 | 170.9 | -151.9 | 0 | 0 | 0 | 0 | 110.8 | L159 M160 K161 E165 R166 S167 | L159-S163 WeakPolarHBondContact O-CB 3.48Å; L159-S163 PolarHBondContact O-N 3.37Å; M160-S163 WeakPolarHBondContact O-CA 3.34Å; M160-S163 WeakPolarHBondContact O-CB 3.25Å; M160-S163 PolarHBondContact O-N 3.05Å; K161-S163 PolarHBondContact O-N 3.43Å; S163-E165 VanDerWaalsContact C-N 3.33Å; S163-E165 PolarHBondContact O-N 3.47Å; S163-R166 PolarHBondContact O-N 2.98Å; S163-R166 VanDerWaalsContact O-N 3.16Å; S163-S167 PolarHBondContact O-N 3.37Å; S163-S167 PolarHBondContact O-OG 3.41Å |
| 164 | L | 94.2 | Very high | 89.2 | Confident | 108 Ų | 108 | 110.5 Ų | 110.5 | 57% | 0.565 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -58.8 | -43.1 | 176.7 | -69.2 | 168.4 | 0 | 0 | 0 | 111.9 | M160 K161 S167 L168 | M160-L164 HydrophobicContact CG-CD1 4.27Å; M160-L164 WeakPolarHBondContact O-CG 3.45Å; M160-L164 PolarHBondContact O-N 2.75Å; K161-L164 PolarHBondContact O-N 3.1Å; L164-S167 VanDerWaalsContact CA-OG 3.29Å; L164-S167 WeakPolarHBondContact CA-OG 3.38Å; L164-S167 PolarHBondContact O-N 3.24Å; L164-S167 PolarHBondContact O-OG 2.95Å; L164-L168 WeakPolarHBondContact O-CB 3.32Å; L164-L168 PolarHBondContact O-N 3.44Å |
| 165 | E | 92.9 | Very high | 87.5 | Confident | 108 Ų | 108 | 110.9 Ų | 110.9 | 51% | 0.505 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 174.7 | -165.9 | -162.6 | 164.6 | 0 | 0 | 111.6 | K161 S163 S167 L168 Q169 | K161-E165 WeakPolarHBondContact O-CB 3.31Å; K161-E165 PolarHBondContact O-N 3.14Å; S163-E165 VanDerWaalsContact C-N 3.33Å; S163-E165 PolarHBondContact O-N 3.47Å; E165-S167 PolarHBondContact O-N 2.81Å; E165-L168 PolarHBondContact O-N 3.26Å; E165-Q169 WeakPolarHBondContact O-CB 3.49Å; E165-Q169 VanDerWaalsContact O-CG 3.31Å; E165-Q169 WeakPolarHBondContact O-CG 3.3Å; E165-Q169 PolarHBondContact O-N 3.34Å; E165-Q169 PolarHBondContact OE1-NE2 3.05Å |
| 166 | R | 92.9 | Very high | 85.6 | Confident | 130 Ų | 130 | 112 Ų | 112 | 49% | 0.491 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.3 | -38.8 | 176.6 | -78 | -178.7 | -61.9 | 158.1 | 7.3 | 112.4 | R162 S163 Q169 L170 | R162-R166 WeakPolarHBondContact O-CB 3.43Å; R162-R166 VanDerWaalsContact O-CG 3.26Å; R162-R166 WeakPolarHBondContact O-CG 3.48Å; R162-R166 PolarHBondContact O-N 2.93Å; R162-R166 PolarHBondContact O-NE 2.91Å; S163-R166 PolarHBondContact O-N 2.98Å; S163-R166 VanDerWaalsContact O-N 3.16Å; R166-Q169 PolarHBondContact O-N 2.86Å; R166-L170 WeakPolarHBondContact O-CB 3.42Å; R166-L170 VanDerWaalsContact O-CG 3.29Å; R166-L170 WeakPolarHBondContact O-CG 3.49Å; R166-L170 PolarHBondContact O-N 3.44Å |
| 167 | S | 89.8 | Confident | 83.7 | Confident | 63 Ų | 63 | 115.9 Ų | 115.9 | 44% | 0.441 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.6 | -40 | 173.1 | 41.2 | 0 | 0 | 0 | 0 | 112.2 | S163 L164 E165 L170 E171 | S163-S167 PolarHBondContact O-N 3.37Å; S163-S167 PolarHBondContact O-OG 3.41Å; L164-S167 VanDerWaalsContact CA-OG 3.29Å; L164-S167 WeakPolarHBondContact CA-OG 3.38Å; L164-S167 PolarHBondContact O-N 3.24Å; L164-S167 PolarHBondContact O-OG 2.95Å; E165-S167 PolarHBondContact O-N 2.81Å; S167-L170 PolarHBondContact O-N 3.04Å; S167-E171 WeakPolarHBondContact O-CB 3.26Å; S167-E171 PolarHBondContact O-N 3.39Å |
| 168 | L | 88.8 | Confident | 81.9 | Confident | 92 Ų | 92 | 115.6 Ų | 115.6 | 48% | 0.482 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.3 | -41.1 | 176.3 | -177.3 | 64.2 | 0 | 0 | 0 | 111.9 | L164 E165 E171 Q172 | L164-L168 WeakPolarHBondContact O-CB 3.32Å; L164-L168 PolarHBondContact O-N 3.44Å; E165-L168 PolarHBondContact O-N 3.26Å; L168-E171 PolarHBondContact O-N 2.87Å; L168-Q172 WeakPolarHBondContact O-CG 3.44Å; L168-Q172 PolarHBondContact O-N 2.79Å |
| 169 | Q | 82.4 | Confident | 79.9 | Confident | 97 Ų | 97 | 123.9 Ų | 123.9 | 45% | 0.453 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.7 | -40.1 | 173.2 | -71.3 | 176.9 | 13.2 | 0 | 0 | 111.7 | E165 R166 Q172 R173 | E165-Q169 WeakPolarHBondContact O-CB 3.49Å; E165-Q169 VanDerWaalsContact O-CG 3.31Å; E165-Q169 WeakPolarHBondContact O-CG 3.3Å; E165-Q169 PolarHBondContact O-N 3.34Å; E165-Q169 PolarHBondContact OE1-NE2 3.05Å; R166-Q169 PolarHBondContact O-N 2.86Å; Q169-Q172 PolarHBondContact O-N 2.81Å; Q169-R173 WeakPolarHBondContact O-CG 3.5Å; Q169-R173 PolarHBondContact O-N 2.86Å |
| 170 | L | 79.8 | Confident | 77.9 | Confident | 113 Ų | 113 | 122 Ų | 122 | 59% | 0.592 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.3 | -46.7 | 173.7 | -77 | 168.8 | 0 | 0 | 0 | 111.2 | R166 S167 Q172 R173 T174 | R166-L170 WeakPolarHBondContact O-CB 3.42Å; R166-L170 VanDerWaalsContact O-CG 3.29Å; R166-L170 WeakPolarHBondContact O-CG 3.49Å; R166-L170 PolarHBondContact O-N 3.44Å; S167-L170 PolarHBondContact O-N 3.04Å; L170-Q172 VanDerWaalsContact C-N 3.31Å; L170-Q172 PolarHBondContact O-N 3.39Å; L170-R173 CarbonylContact O-C 3.56Å; L170-R173 WeakPolarHBondContact O-CA 3.49Å; L170-R173 PolarHBondContact O-N 3.39Å; L170-T174 PolarHBondContact O-N 2.79Å; L170-T174 PolarHBondContact O-OG1 2.86Å; L170-T174 VanDerWaalsContact O-OG1 3.09Å |
| 171 | E | 80 | Confident | 75.5 | Confident | 93 Ų | 93 | 127.6 Ų | 127.6 | 44% | 0.435 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -58.7 | -41.8 | 177.2 | -162.6 | -163.8 | 150.8 | 0 | 0 | 111.9 | S167 L168 T174 K175 | S167-E171 WeakPolarHBondContact O-CB 3.26Å; S167-E171 PolarHBondContact O-N 3.39Å; L168-E171 PolarHBondContact O-N 2.87Å; E171-T174 PolarHBondContact O-N 2.83Å; E171-K175 WeakPolarHBondContact O-CG 3.22Å; E171-K175 PolarHBondContact O-N 2.88Å; E171-K175 WeakPolarHBondContact OE1-CE 3.43Å; E171-K175 IonicContact OE1-NZ 3.03Å; E171-K175 PolarHBondContact OE1-NZ 3.41Å |
| 172 | Q | 77.8 | Confident | 73.3 | Confident | 123 Ų | 123 | 127 Ų | 127 | 58% | 0.575 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.4 | -35.6 | 173.3 | -72 | -176.2 | 28.1 | 0 | 0 | 113 | L168 Q169 L170 R176 | L168-Q172 WeakPolarHBondContact O-CG 3.44Å; L168-Q172 PolarHBondContact O-N 2.79Å; Q169-Q172 PolarHBondContact O-N 2.81Å; L170-Q172 VanDerWaalsContact C-N 3.31Å; L170-Q172 PolarHBondContact O-N 3.39Å; Q172-R176 PolarHBondContact O-N 3.11Å |
| 173 | R | 69.4 | Low | 71.3 | Confident | 167 Ų | 167 | 125.7 Ų | 125.7 | 63% | 0.63 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.4 | -43 | 173 | -70.7 | -175.5 | 87.4 | 160.4 | 5.3 | 111.1 | Q169 L170 K175 R176 W177 | Q169-R173 WeakPolarHBondContact O-CG 3.5Å; Q169-R173 PolarHBondContact O-N 2.86Å; L170-R173 CarbonylContact O-C 3.56Å; L170-R173 WeakPolarHBondContact O-CA 3.49Å; L170-R173 PolarHBondContact O-N 3.39Å; R173-K175 VanDerWaalsContact C-N 3.3Å; R173-K175 PolarHBondContact O-N 2.83Å; R173-R176 WeakPolarHBondContact O-CA 3.34Å; R173-R176 WeakPolarHBondContact O-CB 3.42Å; R173-R176 PolarHBondContact O-N 2.84Å; R173-W177 VanDerWaalsContact O-CD1 3.32Å; R173-W177 PolarHBondContact O-N 2.77Å |
| 174 | T | 63.7 | Low | 68.7 | Low | 97 Ų | 97 | 126.2 Ų | 126.2 | 60% | 0.595 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -57.4 | -43.4 | 174.6 | -54.9 | 0 | 0 | 0 | 0 | 111.2 | L170 E171 R176 W177 G178 | L170-T174 PolarHBondContact O-N 2.79Å; L170-T174 PolarHBondContact O-OG1 2.86Å; L170-T174 VanDerWaalsContact O-OG1 3.09Å; E171-T174 PolarHBondContact O-N 2.83Å; T174-R176 PolarHBondContact O-N 2.86Å; T174-W177 PolarHBondContact O-N 2.81Å; T174-G178 PolarHBondContact O-N 3.33Å |
| 175 | K | 61.8 | Low | 66.5 | Low | 142 Ų | 142 | 126.2 Ų | 126.2 | 62% | 0.617 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -64.9 | -20.5 | 174.4 | -70.9 | 173.2 | -174.1 | 174.8 | 0 | 114.3 | E171 R173 | E171-K175 WeakPolarHBondContact O-CG 3.22Å; E171-K175 PolarHBondContact O-N 2.88Å; E171-K175 WeakPolarHBondContact OE1-CE 3.43Å; E171-K175 IonicContact OE1-NZ 3.03Å; E171-K175 PolarHBondContact OE1-NZ 3.41Å; R173-K175 VanDerWaalsContact C-N 3.3Å; R173-K175 PolarHBondContact O-N 2.83Å |
| 176 | R | 55.7 | Low | 64.1 | Low | 210 Ų | 210 | 124.3 Ų | 124.3 | 79% | 0.792 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -87.1 | -33.1 | 173.8 | -170.6 | -179.4 | -68.5 | -105.1 | 3.7 | 113 | Q172 R173 T174 | Q172-R176 PolarHBondContact O-N 3.11Å; R173-R176 WeakPolarHBondContact O-CA 3.34Å; R173-R176 WeakPolarHBondContact O-CB 3.42Å; R173-R176 PolarHBondContact O-N 2.84Å; T174-R176 PolarHBondContact O-N 2.86Å |
| 177 | W | 56.5 | Low | 61.8 | Low | 201 Ų | 201 | 126.1 Ų | 126.1 | 76% | 0.761 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -89.5 | -21.8 | 179.4 | -74.7 | 81.5 | 0 | 0 | 0 | 113.6 | R173 T174 R179 | R173-W177 VanDerWaalsContact O-CD1 3.32Å; R173-W177 PolarHBondContact O-N 2.77Å; T174-W177 PolarHBondContact O-N 2.81Å; W177-R179 PolarHBondContact O-N 3.26Å |
| 178 | G | 57.4 | Low | 59.5 | Low | 66 Ų | 66 | 129 Ų | 129 | 68% | 0.68 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -73.7 | 25.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | T174 | T174-G178 PolarHBondContact O-N 3.33Š|
| 179 | R | 55.5 | Low | 57.6 | Low | 230 Ų | 230 | 132.7 Ų | 132.7 | 87% | 0.868 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -128.9 | 61.8 | -178.4 | -82.5 | -90.3 | -79.4 | -89.7 | 0.5 | 109.9 | W177 | W177-R179 PolarHBondContact O-N 3.26Š|
| 180 | G | 54.1 | Low | 55.8 | Low | 60 Ų | 60 | 134.5 Ų | 134.5 | 62% | 0.619 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -163.2 | 9.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||
| 181 | Y | 46.1 | Very low | 54.1 | Low | 232 Ų | 232 | 134.6 Ų | 134.6 | 91% | 0.91 | 73% | 0.732 | S | S | * | * | trans | -139.7 | 127.4 | 171.5 | -91 | -84.5 | 0 | 0 | 0 | 111.6 | ||||
| 182 | P | 49.5 | Very low | 53 | Low | 108 Ų | 108 | 136 Ų | 136 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | trans | -81.4 | 153.7 | 169.1 | 34.2 | -33.5 | 0 | 0 | 0 | 111.1 | G184 | P182-G184 VanDerWaalsContact C-N 3.32Å; P182-G184 PolarHBondContact O-N 3.34Å | ||
| 183 | P | 52.9 | Low | 51.4 | Low | 139 Ų | 139 | 138.2 Ų | 138.2 | 90% | 0.903 | 76% | 0.763 | S | S | * | * | trans | -76 | 82.2 | 172.4 | 32.1 | -34 | 0 | 0 | 0 | 110.5 | ||||
| 184 | G | 40.6 | Very low | 50.8 | Low | 71 Ų | 71 | 135 Ų | 135 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | trans | -76.3 | 124.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | P182 | P182-G184 VanDerWaalsContact C-N 3.32Å; P182-G184 PolarHBondContact O-N 3.34Å | ||
| 185 | A | 47.9 | Very low | 49.5 | Very low | 108 Ų | 108 | 140.2 Ų | 140.2 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | trans | -71.5 | 153.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 186 | G | 43.2 | Very low | 49 | Very low | 69 Ų | 69 | 139.4 Ų | 139.4 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | -176.2 | 103.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 187 | D | 44.2 | Very low | 48.3 | Very low | 168 Ų | 168 | 134.5 Ų | 134.5 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | trans | -72 | 137.7 | -177.6 | -60.7 | -65.3 | 0 | 0 | 0 | 112.6 | ||||
| 188 | C | 42.6 | Very low | 47.5 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | -156.4 | 92.1 | 154.7 | 41.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 189 | E | 48 | Very low | 46.8 | Very low | 171 Ų | 171 | 132.1 Ų | 132.1 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | trans | -53 | 136.9 | 158.4 | -78.2 | -77.2 | 164 | 0 | 0 | 110.9 | ||||
| 190 | N | 44.7 | Very low | 46 | Very low | 134 Ų | 134 | 124.2 Ų | 124.2 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | 154.3 | 120.3 | 128.8 | -88.3 | -82.5 | 0 | 0 | 0 | 114.3 | |||||
| 191 | V | 45.4 | Very low | 45.2 | Very low | 116 Ų | 116 | 130.9 Ų | 130.9 | 70% | 0.703 | 80% | 0.802 | S | S | * | * | trans | 56.9 | 127.3 | 139.9 | -172.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 192 | P | 56.4 | Low | 45.1 | Very low | 121 Ų | 121 | 123.9 Ų | 123.9 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | trans | -81.1 | 143.7 | 176.6 | 33.5 | -35.5 | 0 | 0 | 0 | 114.1 | ||||
| 193 | L | 43.1 | Very low | 44.5 | Very low | 170 Ų | 170 | 127.7 Ų | 127.7 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | trans | -120.4 | 129.5 | 174.7 | -81 | 170.2 | 0 | 0 | 0 | 112.5 | ||||
| 194 | P | 56.6 | Low | 43.9 | Very low | 101 Ų | 101 | 124.3 Ų | 124.3 | 66% | 0.656 | 79% | 0.785 | S | S | * | * | trans | -105.9 | 166 | 170.2 | 39.3 | -32.7 | 0 | 0 | 0 | 113.3 | ||||
| 195 | F | 37.7 | Very low | 43.8 | Very low | 205 Ų | 205 | 128.8 Ų | 128.8 | 90% | 0.899 | 79% | 0.791 | S | S | * | * | trans | 68.1 | 132.1 | 172.4 | -68.8 | -84.3 | 0 | 0 | 0 | 118.8 | ||||
| 196 | S | 51.8 | Low | 43.1 | Very low | 125 Ų | 125 | 127.9 Ų | 127.9 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -114.9 | 155.7 | 161.7 | -72.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 197 | A | 40.3 | Very low | 43 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | trans | -82.4 | 176.6 | -159.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 198 | A | 40.4 | Very low | 43.4 | Very low | 96 Ų | 96 | 127.9 Ų | 127.9 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | trans | -124.1 | -173.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 199 | S | 41.5 | Very low | 43.1 | Very low | 120 Ų | 120 | 130.7 Ų | 130.7 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | trans | 78.3 | 152.9 | 175.4 | -120.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 200 | A | 39.1 | Very low | 43.2 | Very low | 65 Ų | 65 | 128.2 Ų | 128.2 | 54% | 0.537 | 78% | 0.782 | S | S | . | * | cis | -156 | 163.7 | 5.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 201 | F | 37.8 | Very low | 42.7 | Very low | 200 Ų | 200 | 126 Ų | 126 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | trans | 71.1 | 142.4 | 151.1 | -59.7 | -55.3 | 0 | 0 | 0 | 124.2 | ||||
| 202 | S | 42.5 | Very low | 42 | Very low | 85 Ų | 85 | 130.2 Ų | 130.2 | 59% | 0.594 | 79% | 0.791 | S | S | * | * | trans | -73.2 | 155.1 | 178.3 | 47.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 203 | H | 37 | Very low | 41 | Very low | 187 Ų | 187 | 129 Ų | 129 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | -174 | 166.1 | 110.4 | -92.2 | -64.9 | 0 | 0 | 0 | 109.9 | |||||
| 204 | G | 40.3 | Very low | 40.5 | Very low | 68 Ų | 68 | 124.3 Ų | 124.3 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | -141.9 | 127.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 205 | I | 38.4 | Very low | 39.4 | Very low | 166 Ų | 166 | 125.1 Ų | 125.1 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | trans | -140.3 | 164.8 | 167.6 | -71.9 | 100.6 | 0 | 0 | 0 | 107 | ||||
| 206 | A | 34.9 | Very low | 39.3 | Very low | 88 Ų | 88 | 120 Ų | 120 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -75.8 | 170.5 | -166.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 207 | S | 41.1 | Very low | 38.9 | Very low | 112 Ų | 112 | 119.9 Ų | 119.9 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | -6.9 | 150.3 | 152.5 | -58.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 208 | P | 51.9 | Low | 38.6 | Very low | 126 Ų | 126 | 120.9 Ų | 120.9 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | cis | -146.2 | 176.8 | 45.5 | 41.6 | -21.8 | 0 | 0 | 0 | 119.4 | ||||
| 209 | H | 35.6 | Very low | 38.7 | Very low | 181 Ų | 181 | 122.1 Ų | 122.1 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | -60.8 | 155.7 | 162.1 | -89.4 | -57.3 | 0 | 0 | 0 | 112.2 | ||||
| 210 | P | 51.5 | Low | 38.5 | Very low | 119 Ų | 119 | 122.5 Ų | 122.5 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | -155.2 | 166.9 | 73.9 | 42.3 | -22 | 0 | 0 | 0 | 120.6 | |||||
| 211 | A | 33.2 | Very low | 38.4 | Very low | 86 Ų | 86 | 128 Ų | 128 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | 69.2 | 130.2 | 142.6 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 212 | F | 30 | Very low | 38.4 | Very low | 205 Ų | 205 | 129.1 Ų | 129.1 | 90% | 0.899 | 79% | 0.792 | S | S | * | * | trans | 58.9 | 142.5 | 144.6 | -102.1 | -120.9 | 0 | 0 | 0 | 120.7 | ||||
| 213 | S | 36.2 | Very low | 38.8 | Very low | 97 Ų | 97 | 130.6 Ų | 130.6 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | cis | -174.2 | 138 | -22.1 | -101.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 214 | G | 31.9 | Very low | 39.3 | Very low | 71 Ų | 71 | 127.6 Ų | 127.6 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | trans | 150 | 123.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 215 | S | 35 | Very low | 38.9 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | 48.4 | 99.9 | 158.3 | 59.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 216 | A | 34.8 | Very low | 38.6 | Very low | 97 Ų | 97 | 130.8 Ų | 130.8 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | 52.5 | 156.1 | 119.5 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 217 | P | 43.3 | Very low | 38.4 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | cis | -132 | 152.2 | -34.4 | 36.2 | -21.2 | 0 | 0 | 0 | 113.5 | ||||
| 218 | C | 34 | Very low | 38 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | trans | -142.5 | 150.3 | 165.7 | -115.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 219 | S | 42.3 | Very low | 37.4 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 128.8 | -162.1 | -53 | 0 | 0 | 0 | 0 | 115.2 | ||
| 220 | P | 37.1 | Very low | 37.4 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 134.1 | 170.8 | -13.4 | 29.8 | 0 | 0 | 0 | 113.1 | ||
| 221 | H | 36.9 | Very low | 36.4 | Very low | 182 Ų | 182 | 131.9 Ų | 131.9 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 139.5 | 165.8 | -125.5 | -62.1 | 0 | 0 | 0 | 110.1 | ||
| 222 | R | 37.7 | Very low | 36.4 | Very low | 223 Ų | 223 | 133 Ų | 133 | 84% | 0.842 | 81% | 0.812 | S | S | * | * | S | Bend | trans | 55.1 | 113.5 | 159.5 | -86.2 | -178 | 155.3 | -145.4 | -3.3 | 119.6 | ||
| 223 | S | 51.9 | Low | 36.6 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | trans | 70.6 | 159 | 147.7 | 82.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 224 | P | 46.5 | Very low | 37.5 | Very low | 123 Ų | 123 | 128.2 Ų | 128.2 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | -134.9 | -174.2 | 61.2 | 41.3 | -25.7 | 0 | 0 | 0 | 116.2 | |||||
| 225 | F | 32.1 | Very low | 37.6 | Very low | 195 Ų | 195 | 131.5 Ų | 131.5 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -34.5 | 140.6 | 167.1 | -114.5 | -120 | 0 | 0 | 0 | 116.6 | ||||
| 226 | C | 33.8 | Very low | 37.7 | Very low | 107 Ų | 107 | 136.5 Ų | 136.5 | 72% | 0.723 | 81% | 0.809 | S | S | * | * | 178 | 128.3 | 103.9 | -101.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 227 | N | 29.5 | Very low | 37.7 | Very low | 165 Ų | 165 | 136.8 Ų | 136.8 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | -177.6 | 119.9 | 127.7 | -97 | -14.4 | 0 | 0 | 0 | 109.8 | |||||
| 228 | A | 33.2 | Very low | 37.3 | Very low | 95 Ų | 95 | 134 Ų | 134 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -117.8 | 144.9 | 166 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 229 | L | 39.1 | Very low | 37.7 | Very low | 151 Ų | 151 | 135.5 Ų | 135.5 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -163.6 | 99.3 | 149.1 | -101.5 | 178.4 | 0 | 0 | 0 | 109.5 | ||||
| 230 | N | 35.5 | Very low | 37.4 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | 66.2 | 159 | 142.9 | -60.2 | -7.3 | 0 | 0 | 0 | 121.7 | ||||
| 231 | A | 30.6 | Very low | 37.2 | Very low | 90 Ų | 90 | 136.3 Ų | 136.3 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | cis | -172.6 | 118.2 | -35.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 232 | A | 32.2 | Very low | 37 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 90% | 0.901 | 80% | 0.802 | S | S | * | * | trans | -168.5 | 111 | 157 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 233 | A | 35 | Very low | 37.1 | Very low | 98 Ų | 98 | 126.1 Ų | 126.1 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -123.3 | 175.8 | 159.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 234 | P | 54.5 | Low | 36.3 | Very low | 104 Ų | 104 | 128.8 Ų | 128.8 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | cis | -127.9 | 168.3 | 19.1 | 27.6 | -3.1 | 0 | 0 | 0 | 114.5 | ||||
| 235 | N | 34.6 | Very low | 35.8 | Very low | 139 Ų | 139 | 128 Ų | 128 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | 176.9 | 160.8 | 82.3 | -86.8 | -77.2 | 0 | 0 | 0 | 108.8 | |||||
| 236 | R | 37 | Very low | 36 | Very low | 224 Ų | 224 | 125 Ų | 125 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | cis | -172 | 135.4 | -15.1 | 169.4 | -178.3 | -176.7 | -148.2 | 3 | 109.2 | ||||
| 237 | A | 35.6 | Very low | 36.6 | Very low | 102 Ų | 102 | 125.3 Ų | 125.3 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | 63.2 | 156.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 238 | G | 34.1 | Very low | 36.6 | Very low | 65 Ų | 65 | 122.9 Ų | 122.9 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | cis | 169.4 | 168.7 | -8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 239 | L | 42.2 | Very low | 36.7 | Very low | 160 Ų | 160 | 124.6 Ų | 124.6 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | 71 | 123.7 | -176.1 | -53 | 166.7 | 0 | 0 | 0 | 113.4 | ||||
| 240 | Q | 37.1 | Very low | 37.5 | Very low | 186 Ų | 186 | 123 Ų | 123 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | 64.8 | 127.7 | 54.7 | -61.9 | -175.4 | 1.3 | 0 | 0 | 113.3 | |||||
| 241 | G | 33 | Very low | 37.5 | Very low | 80 Ų | 80 | 126.1 Ų | 126.1 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | cis | 161.6 | 171.6 | -5.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 242 | G | 32.1 | Very low | 37.9 | Very low | 77 Ų | 77 | 131.9 Ų | 131.9 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | 101.2 | 68.5 | 158.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 243 | S | 39 | Very low | 37.9 | Very low | 114 Ų | 114 | 134 Ų | 134 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | 33.3 | 125.1 | 123.3 | -62.9 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 244 | Q | 35.5 | Very low | 37.8 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | 98.2 | 144.5 | 129.3 | -69.7 | -74.8 | 17.7 | 0 | 0 | 123.9 | |||||
| 245 | S | 35.7 | Very low | 36.8 | Very low | 107 Ų | 107 | 140.7 Ų | 140.7 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | 70.4 | 127.4 | 158.2 | 52.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 246 | T | 37.5 | Very low | 36.8 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -83.9 | 175.2 | 157.6 | 51.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 247 | P | 45.2 | Very low | 36.7 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | cis | -154.8 | -163.8 | 33.3 | 45.6 | -22.5 | 0 | 0 | 0 | 118.9 | ||||
| 248 | S | 30.3 | Very low | 36.6 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | 90.8 | 174.9 | 160.5 | 83.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 249 | T | 35.7 | Very low | 36.8 | Very low | 132 Ų | 132 | 147 Ų | 147 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -131 | -162.5 | -144.3 | 66.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 250 | P | 55.6 | Low | 37 | Very low | 116 Ų | 116 | 148.7 Ų | 148.7 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | -122.8 | 164.3 | -119.5 | 34.8 | -13.8 | 0 | 0 | 0 | 116.4 | |||||
| 251 | K | 34.8 | Very low | 36.9 | Very low | 215 Ų | 215 | 146.3 Ų | 146.3 | 94% | 0.935 | 77% | 0.772 | S | S | * | * | trans | -140.5 | 141.7 | 165.4 | -72.6 | -173.6 | 180 | 176.4 | 0 | 112.8 | ||||
| 252 | K | 39.7 | Very low | 36.9 | Very low | 210 Ų | 210 | 146.7 Ų | 146.7 | 91% | 0.913 | 77% | 0.768 | S | S | * | * | trans | -93.3 | 140.3 | 165.6 | -65.5 | 175.8 | 177 | 176.4 | 0 | 108.9 | ||||
| 253 | E | 31.9 | Very low | 37.3 | Very low | 153 Ų | 153 | 148.3 Ų | 148.3 | 72% | 0.715 | 77% | 0.767 | S | S | * | * | trans | -152 | 152.4 | 141.8 | -161.9 | 141.8 | -172.8 | 0 | 0 | 113.6 | ||||
| 254 | R | 32.3 | Very low | 37.8 | Very low | 197 Ų | 197 | 148.5 Ų | 148.5 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | -8.9 | 133 | 170.9 | -67.5 | 162.4 | 166.5 | 133.8 | -8.8 | 118.5 | ||||
| 255 | L | 33.4 | Very low | 37.6 | Very low | 147 Ų | 147 | 146 Ų | 146 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | 65.6 | 115.6 | 55.8 | -178.5 | 75.8 | 0 | 0 | 0 | 114.3 | |||||
| 256 | R | 35.6 | Very low | 37.6 | Very low | 179 Ų | 179 | 147.1 Ų | 147.1 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | trans | -174.8 | 129.5 | 131.6 | -91.8 | -81.9 | 152.6 | 77.5 | 1.3 | 109.5 | ||||
| 257 | R | 34.8 | Very low | 37.3 | Very low | 182 Ų | 182 | 144.4 Ų | 144.4 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | 41 | 149 | 129.7 | -72.1 | -173.6 | -161.5 | 141.9 | 0.7 | 120.2 | |||||
| 258 | D | 33.4 | Very low | 37 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 67% | 0.674 | 77% | 0.772 | S | S | * | * | cis | -158 | 167.6 | 8.4 | -108.6 | -27.3 | 0 | 0 | 0 | 105.8 | ||||
| 259 | R | 37.8 | Very low | 37.7 | Very low | 175 Ų | 175 | 145.3 Ų | 145.3 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | cis | 162.7 | 146.7 | -4.8 | -167.6 | -174.6 | 178.6 | -169.2 | 2.7 | 105.4 | ||||
| 260 | R | 47.4 | Very low | 37.6 | Very low | 195 Ų | 195 | 144.6 Ų | 144.6 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | 69 | 152.8 | 172.6 | -63.5 | 156 | 174.2 | 176.6 | -6.6 | 114.7 | ||||
| 261 | T | 34.1 | Very low | 36.9 | Very low | 136 Ų | 136 | 147.9 Ų | 147.9 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | cis | -159.8 | 159.5 | -7.7 | 10.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 262 | A | 32.6 | Very low | 36.9 | Very low | 89 Ų | 89 | 147.9 Ų | 147.9 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | cis | -149.8 | 173.9 | 3.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 263 | S | 40.4 | Very low | 36.7 | Very low | 111 Ų | 111 | 142.2 Ų | 142.2 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | -115.1 | 166.4 | 161.4 | -51.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 264 | P | 50.1 | Low | 36.7 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | -139.4 | 132.4 | 102.8 | 36.8 | -23.2 | 0 | 0 | 0 | 113.8 | |||||
| 265 | V | 30.4 | Very low | 36.8 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | 77.1 | 108.8 | 104.2 | 174.6 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 266 | C | 36.3 | Very low | 37.8 | Very low | 129 Ų | 129 | 137.9 Ų | 137.9 | 87% | 0.872 | 75% | 0.754 | S | S | * | * | 80.5 | 130.9 | 52 | -62.4 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 267 | G | 31.6 | Very low | 37.6 | Very low | 75 Ų | 75 | 133.5 Ų | 133.5 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | trans | 160.2 | 77.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 268 | S | 39.2 | Very low | 37.6 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | trans | -142.6 | 118.2 | 169.5 | -61.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 269 | P | 45.5 | Very low | 37.6 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | trans | -138.4 | 156.9 | 143.4 | 19.8 | 2 | 0 | 0 | 0 | 112 | ||||
| 270 | V | 33.1 | Very low | 37.5 | Very low | 117 Ų | 117 | 128.3 Ų | 128.3 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | cis | 170.6 | 123.8 | -16.3 | 126.5 | 0 | 0 | 0 | 0 | 105 | ||||
| 271 | R | 40.5 | Very low | 37 | Very low | 185 Ų | 185 | 128.7 Ų | 128.7 | 70% | 0.698 | 77% | 0.774 | S | S | * | * | trans | 72.5 | 118.6 | 164.2 | -51.3 | -79.2 | 161.9 | 80.4 | -3.2 | 116.7 | ||||
| 272 | R | 34.3 | Very low | 37.1 | Very low | 215 Ų | 215 | 128.7 Ų | 128.7 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | 113.7 | 150 | 74.5 | -89.7 | 178.4 | -177.1 | 160.1 | -0.8 | 108.3 | |||||
| 273 | S | 36.4 | Very low | 37.2 | Very low | 91 Ų | 91 | 130.6 Ų | 130.6 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | cis | -140 | 173.5 | 13.3 | 63.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 274 | E | 31.6 | Very low | 36.7 | Very low | 164 Ų | 164 | 131 Ų | 131 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | trans | 60.4 | 99.4 | 148.1 | -73.9 | 154.6 | 121.3 | 0 | 0 | 123.6 | ||||
| 275 | S | 33.6 | Very low | 36.1 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | 74.8 | 151.6 | 112.1 | -62.2 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 276 | P | 56 | Low | 36.9 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | trans | -126.3 | 162.6 | -143.5 | 41 | -26.6 | 0 | 0 | 0 | 116.6 | ||||
| 277 | A | 30.9 | Very low | 36.5 | Very low | 88 Ų | 88 | 129.8 Ų | 129.8 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | -145.9 | 132.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 278 | S | 33.4 | Very low | 36.4 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | 33 | 110.3 | 158.1 | 59.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 279 | V | 35 | Very low | 36 | Very low | 142 Ų | 142 | 129.5 Ų | 129.5 | 86% | 0.861 | 75% | 0.749 | S | S | * | * | trans | -109.5 | 129.8 | 149.6 | -172.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 280 | T | 35.6 | Very low | 35.4 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | trans | -132.2 | 148.7 | 172.1 | -55 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 281 | R | 37.6 | Very low | 35.6 | Very low | 203 Ų | 203 | 137.5 Ų | 137.5 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | trans | 80.9 | 155.2 | -176.2 | -54.1 | 174.8 | 160.5 | -118.8 | 9.6 | 113.9 | ||||
| 282 | Q | 35.3 | Very low | 35.2 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 64% | 0.64 | 76% | 0.76 | S | S | * | * | cis | -169.2 | -176.8 | -14.4 | -110.4 | 171.7 | -34.9 | 0 | 0 | 108.4 | ||||
| 283 | L | 33.6 | Very low | 35.2 | Very low | 128 Ų | 128 | 127 Ų | 127 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | cis | -156.2 | -177.1 | 4.7 | -132.8 | -177.9 | 0 | 0 | 0 | 110 | ||||
| 284 | T | 30.4 | Very low | 35.3 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | trans | 74.5 | 131.1 | 145.5 | 36.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 285 | S | 37.5 | Very low | 35.6 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | -86.4 | 176.7 | 162.3 | -38.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 286 | P | 48 | Very low | 35.4 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | -120.5 | 160.6 | 91.1 | -1.7 | 23.6 | 0 | 0 | 0 | 112.8 | |||||
| 287 | S | 28.4 | Very low | 34.4 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | 68.5 | 133.6 | 59.2 | -131.1 | 0 | 0 | 0 | 0 | 113 | |||||
| 288 | A | 29.4 | Very low | 34.6 | Very low | 86 Ų | 86 | 138.5 Ų | 138.5 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | cis | -160.4 | 179.4 | 9.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 289 | S | 31 | Very low | 34.8 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | 72.9 | 130.8 | 146.3 | -162.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 290 | R | 32.8 | Very low | 35.4 | Very low | 245 Ų | 245 | 137.4 Ų | 137.4 | 93% | 0.925 | 76% | 0.762 | S | S | * | * | trans | -137.4 | 128.5 | 147.9 | -66.1 | -169.8 | 86.2 | -157.9 | 8 | 110.5 | ||||
| 291 | L | 36.2 | Very low | 35.2 | Very low | 165 Ų | 165 | 135 Ų | 135 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | trans | -139.5 | 157.7 | 162.9 | -69.4 | 174.7 | 0 | 0 | 0 | 105.8 | ||||
| 292 | A | 32.5 | Very low | 35 | Very low | 78 Ų | 78 | 131 Ų | 131 | 65% | 0.645 | 76% | 0.764 | S | S | * | * | cis | -153.4 | 172.9 | 12.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 293 | S | 35 | Very low | 34.9 | Very low | 101 Ų | 101 | 130 Ų | 130 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | 64.7 | 151.1 | 150.7 | 49 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 294 | K | 37 | Very low | 34.7 | Very low | 191 Ų | 191 | 128.9 Ų | 128.9 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | cis | -161.4 | 144.2 | -14.1 | -97.5 | 155.9 | -169.9 | 170.3 | 0 | 104.2 | ||||
| 295 | T | 38.6 | Very low | 34.8 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | -165.6 | 134.7 | 67.3 | 37.9 | 0 | 0 | 0 | 0 | 109 | |||||
| 296 | R | 29.8 | Very low | 34.5 | Very low | 215 Ų | 215 | 136.3 Ų | 136.3 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | 81.8 | 89.2 | 76.5 | -168.5 | -165.5 | 164.1 | 149.2 | -2.4 | 116.5 | |||||
| 297 | T | 35 | Very low | 33.8 | Very low | 131 Ų | 131 | 139.9 Ų | 139.9 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -154.7 | 105.2 | 135 | 23.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 298 | Q | 35.1 | Very low | 33.8 | Very low | 156 Ų | 156 | 145.4 Ų | 145.4 | 73% | 0.729 | 79% | 0.791 | S | S | * | * | 65.5 | 115.4 | 89.8 | -74.8 | -68.7 | 8.9 | 0 | 0 | 114.2 | |||||
| 299 | S | 37.5 | Very low | 34 | Very low | 107 Ų | 107 | 146.4 Ų | 146.4 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -150 | 146.3 | 178.7 | -44.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 300 | P | 48 | Very low | 34.7 | Very low | 122 Ų | 122 | 146.7 Ų | 146.7 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | trans | -106.2 | 147.9 | 152.7 | 35.1 | -26.4 | 0 | 0 | 0 | 110.1 | ||||
| 301 | G | 30.9 | Very low | 34.6 | Very low | 71 Ų | 71 | 141.5 Ų | 141.5 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | cis | 89.1 | 123 | 7.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 302 | S | 33.1 | Very low | 34.2 | Very low | 118 Ų | 118 | 144.5 Ų | 144.5 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | cis | -160.5 | -179.8 | -0.1 | 55.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 303 | S | 32.6 | Very low | 34 | Very low | 115 Ų | 115 | 145.5 Ų | 145.5 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -48.8 | 144 | 176.4 | 52.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 304 | S | 30.8 | Very low | 33.7 | Very low | 105 Ų | 105 | 149 Ų | 149 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -167 | 112.1 | 134.8 | -155.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 305 | Q | 32.8 | Very low | 33.7 | Very low | 178 Ų | 178 | 146 Ų | 146 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | 83.4 | 140.1 | 84.7 | -157.1 | 166.2 | -16.7 | 0 | 0 | 114.1 | |||||
| 306 | Y | 30.2 | Very low | 33.3 | Very low | 203 Ų | 203 | 146.9 Ų | 146.9 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | trans | -44.9 | 148 | -167.9 | -59 | -97.1 | 0 | 0 | 0 | 117.4 | ||||
| 307 | H | 34.1 | Very low | 33.5 | Very low | 195 Ų | 195 | 144.8 Ų | 144.8 | 90% | 0.903 | 79% | 0.794 | S | S | * | * | -166 | -173.3 | 109.1 | -101.1 | -65.1 | 0 | 0 | 0 | 113.1 | |||||
| 308 | R | 28.2 | Very low | 33.3 | Very low | 233 Ų | 233 | 146.3 Ų | 146.3 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | -110.8 | 151.1 | -155.8 | -178 | 176.5 | 178.1 | -116.5 | 10.9 | 112.7 | ||||
| 309 | S | 33.6 | Very low | 33.3 | Very low | 107 Ų | 107 | 146 Ų | 146 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -30 | 151.6 | 175.6 | -37.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 310 | P | 44.8 | Very low | 33.1 | Very low | 112 Ų | 112 | 146.9 Ų | 146.9 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | -158.4 | 142.3 | 77.8 | 39 | -17.4 | 0 | 0 | 0 | 120.8 | |||||
| 311 | T | 32 | Very low | 32.6 | Very low | 135 Ų | 135 | 151.3 Ų | 151.3 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | trans | 69.5 | 156.9 | 133.8 | -49 | 0 | 0 | 0 | 0 | 122 | ||||
| 312 | R | 27.6 | Very low | 32.8 | Very low | 228 Ų | 228 | 158.1 Ų | 158.1 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | 77.7 | 145.9 | 179.3 | -66.6 | -165.4 | 173.2 | -137.9 | 0.5 | 115.6 | ||||
| 313 | C | 26.9 | Very low | 32.8 | Very low | 100 Ų | 100 | 155.6 Ų | 155.6 | 68% | 0.676 | 80% | 0.799 | S | S | * | * | cis | -150.2 | 169 | -6.8 | -122.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 314 | H | 30.4 | Very low | 32.9 | Very low | 174 Ų | 174 | 159.5 Ų | 159.5 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | trans | -73.8 | 153.9 | 175.9 | -52 | -105.1 | 0 | 0 | 0 | 112.8 | ||||
| 315 | P | 35.8 | Very low | 33 | Very low | 128 Ų | 128 | 159.8 Ų | 159.8 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | trans | -85 | 135.7 | 144.9 | 34.3 | -28.3 | 0 | 0 | 0 | 110.3 | ||||
| 316 | N | 30.1 | Very low | 33.4 | Very low | 151 Ų | 151 | 159 Ų | 159 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | -153.5 | 130.4 | 166.4 | -174.3 | 23.9 | 0 | 0 | 0 | 109 | ||||
| 317 | Q | 34.2 | Very low | 33.6 | Very low | 172 Ų | 172 | 157.4 Ų | 157.4 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -152.7 | 118 | 170.7 | -104.3 | -175.8 | -14.9 | 0 | 0 | 109.9 | ||||
| 318 | N | 30.9 | Very low | 33.6 | Very low | 163 Ų | 163 | 154 Ų | 154 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | trans | -170 | 134 | 152.3 | -90.7 | -45.1 | 0 | 0 | 0 | 105.6 | ||||
| 319 | D | 34.1 | Very low | 33.6 | Very low | 149 Ų | 149 | 149.8 Ų | 149.8 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | -94.5 | 164.7 | -164.1 | -64.4 | -69.1 | 0 | 0 | 0 | 114.7 | ||||
| 320 | D | 35.2 | Very low | 33.7 | Very low | 125 Ų | 125 | 151.8 Ų | 151.8 | 67% | 0.668 | 76% | 0.763 | S | S | * | * | trans | 56.9 | 123 | 148.4 | -106 | 10.5 | 0 | 0 | 0 | 118.3 | ||||
| 321 | R | 36.3 | Very low | 33 | Very low | 215 Ų | 215 | 155.6 Ų | 155.6 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | cis | -158.6 | 175.8 | 28.4 | -65.1 | -165.6 | 161.9 | -178.1 | -6.2 | 113.6 | ||||
| 322 | K | 35.3 | Very low | 32.8 | Very low | 215 Ų | 215 | 152.6 Ų | 152.6 | 94% | 0.935 | 76% | 0.764 | S | S | * | * | trans | -10.6 | 146.5 | 163.4 | -58.6 | -172.1 | 172.9 | -164.1 | 0 | 118.6 | ||||
| 323 | G | 33.1 | Very low | 32.9 | Very low | 65 Ų | 65 | 150.7 Ų | 150.7 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | cis | 147.1 | 151.7 | -1.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 324 | E | 34 | Very low | 33 | Very low | 196 Ų | 196 | 154 Ų | 154 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | trans | 67 | 145.5 | 171.4 | -61 | -178.3 | 139.5 | 0 | 0 | 115.9 | ||||
| 325 | D | 34.5 | Very low | 33.8 | Very low | 112 Ų | 112 | 150.8 Ų | 150.8 | 60% | 0.599 | 76% | 0.764 | S | S | * | * | cis | -157.8 | 159.5 | -8.4 | -150.9 | 2.4 | 0 | 0 | 0 | 113.6 | ||||
| 326 | K | 40.3 | Very low | 33.4 | Very low | 162 Ų | 162 | 153.6 Ų | 153.6 | 70% | 0.704 | 76% | 0.764 | S | S | * | * | trans | 35.8 | 115.9 | 151.9 | -77 | 164.5 | -163 | 77.1 | 0 | 125.1 | ||||
| 327 | K | 34.9 | Very low | 33.4 | Very low | 168 Ų | 168 | 150.8 Ų | 150.8 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | 92.5 | 153.7 | 106.5 | -162 | -179.5 | 177.8 | -71.1 | 0 | 122.7 | |||||
| 328 | L | 33.3 | Very low | 33 | Very low | 124 Ų | 124 | 150.8 Ų | 150.8 | 65% | 0.649 | 76% | 0.761 | S | S | * | * | trans | 81.8 | 131.6 | 175.5 | -66.5 | 112.8 | 0 | 0 | 0 | 115.4 | ||||
| 329 | E | 27.9 | Very low | 32.9 | Very low | 144 Ų | 144 | 148.7 Ų | 148.7 | 67% | 0.673 | 76% | 0.76 | S | S | * | * | 66.7 | 139.7 | 61.7 | -79.4 | -146.6 | 130.4 | 0 | 0 | 113.6 | |||||
| 330 | K | 36.4 | Very low | 32.7 | Very low | 150 Ų | 150 | 145.7 Ų | 145.7 | 65% | 0.652 | 76% | 0.755 | S | S | * | * | cis | -158.1 | 148.7 | 19.5 | -143.7 | 174.1 | -172.7 | 75.4 | 0 | 113 | ||||
| 331 | K | 29 | Very low | 32.3 | Very low | 191 Ų | 191 | 144.2 Ų | 144.2 | 83% | 0.83 | 76% | 0.761 | S | S | * | * | trans | 28.8 | 145 | 150 | -76.4 | -167.4 | 168.4 | -157.6 | 0 | 124.4 | ||||
| 332 | G | 28.6 | Very low | 32 | Very low | 72 Ų | 72 | 145.1 Ų | 145.1 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | trans | 110.1 | 141 | 141.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 333 | E | 30.1 | Very low | 31.8 | Very low | 188 Ų | 188 | 141.1 Ų | 141.1 | 88% | 0.879 | 76% | 0.758 | S | S | * | * | cis | -158.6 | -177 | -21.5 | -142.4 | 154.1 | -138.5 | 0 | 0 | 108.9 | ||||
| 334 | Q | 29.1 | Very low | 31.5 | Very low | 171 Ų | 171 | 143.2 Ų | 143.2 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | trans | -80.7 | 173.3 | -177 | -77 | -80.9 | -37.6 | 0 | 0 | 112.3 | ||||
| 335 | P | 46.3 | Very low | 31.2 | Very low | 105 Ų | 105 | 137.9 Ų | 137.9 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | cis | -148.8 | -177.1 | 20.5 | 44.6 | -24.3 | 0 | 0 | 0 | 119.8 | ||||
| 336 | K | 28.3 | Very low | 30.9 | Very low | 188 Ų | 188 | 140.6 Ų | 140.6 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | trans | 83.4 | 130 | 141.7 | -94.2 | -179.8 | 175.3 | -177.5 | 0 | 123 | ||||
| 337 | A | 29 | Very low | 30.4 | Very low | 91 Ų | 91 | 137.9 Ų | 137.9 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | 66.2 | 157.9 | 143.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 338 | E | 26.8 | Very low | 30.4 | Very low | 172 Ų | 172 | 139 Ų | 139 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | cis | -170 | 138.2 | -29.1 | 173.7 | 168.4 | -169.5 | 0 | 0 | 108.3 | ||||
| 339 | S | 29 | Very low | 30.2 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | trans | 61 | 177.8 | 176.9 | 83.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 340 | A | 28.6 | Very low | 30.5 | Very low | 86 Ų | 86 | 140.4 Ų | 140.4 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | cis | -160.9 | 163.2 | -49.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 341 | A | 27.8 | Very low | 30.1 | Very low | 94 Ų | 94 | 139.8 Ų | 139.8 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | trans | 63.8 | 134.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 342 | R | 30.1 | Very low | 30.2 | Very low | 233 Ų | 233 | 135.8 Ų | 135.8 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | 49.3 | 124.6 | 71.2 | -61.8 | -175 | 178.6 | -163.6 | -0.2 | 112.6 | |||||
| 343 | T | 29.8 | Very low | 30.2 | Very low | 131 Ų | 131 | 138 Ų | 138 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | cis | -163.7 | 161.3 | 1.8 | 14 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 344 | S | 26.6 | Very low | 30.3 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | 168.1 | 178.5 | 70.2 | -159.3 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 345 | A | 29.3 | Very low | 30.3 | Very low | 84 Ų | 84 | 135.8 Ų | 135.8 | 69% | 0.694 | 78% | 0.78 | S | S | * | * | trans | 69 | 153 | 159.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 346 | E | 27.6 | Very low | 29.5 | Very low | 169 Ų | 169 | 134.1 Ų | 134.1 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | cis | -157.9 | 138 | -7.4 | -138.2 | -173.1 | 124.1 | 0 | 0 | 110 | ||||
| 347 | T | 30.3 | Very low | 29.6 | Very low | 105 Ų | 105 | 134 Ų | 134 | 64% | 0.644 | 79% | 0.785 | S | S | * | * | 166.4 | 173.5 | 89.6 | 40.3 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 348 | K | 34.1 | Very low | 29.6 | Very low | 192 Ų | 192 | 139.8 Ų | 139.8 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | 92.1 | 78.1 | 160.1 | -56 | 179 | -173.4 | 176.9 | 0 | 120 | ||||
| 349 | N | 29.1 | Very low | 29.8 | Very low | 148 Ų | 148 | 136.9 Ų | 136.9 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | -6.3 | 140.1 | 116.9 | -85.4 | -24.7 | 0 | 0 | 0 | 116.5 | |||||
| 350 | L | 33.9 | Very low | 29.9 | Very low | 149 Ų | 149 | 142 Ų | 142 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | cis | -138.3 | -155.3 | -1.9 | -63.6 | 106.1 | 0 | 0 | 0 | 108.1 | ||||
| 351 | N | 29.8 | Very low | 29.9 | Very low | 137 Ų | 137 | 143.9 Ų | 143.9 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | cis | -163.1 | 166.8 | 6.5 | -156 | 2.2 | 0 | 0 | 0 | 112.9 | ||||
| 352 | S | 30.3 | Very low | 30.2 | Very low | 107 Ų | 107 | 147.3 Ų | 147.3 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | 66.2 | 154.9 | 168 | 80.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 353 | S | 28.9 | Very low | 30.2 | Very low | 119 Ų | 119 | 142.7 Ų | 142.7 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | cis | -142.7 | 175 | -3.9 | -162.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 354 | S | 31.8 | Very low | 30.1 | Very low | 108 Ų | 108 | 147.3 Ų | 147.3 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -120.8 | 137.7 | -164.2 | 60 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 355 | Q | 29.7 | Very low | 30.2 | Very low | 205 Ų | 205 | 148.1 Ų | 148.1 | 96% | 0.958 | 78% | 0.782 | S | S | * | * | trans | -161.8 | 158.2 | 151.2 | -110.2 | -179.8 | -10.5 | 0 | 0 | 108.5 | ||||
| 356 | G | 28.5 | Very low | 30.3 | Very low | 70 Ų | 70 | 151.5 Ų | 151.5 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | cis | 172.9 | 117.1 | -2.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 357 | Q | 31.2 | Very low | 30.6 | Very low | 186 Ų | 186 | 150.5 Ų | 150.5 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | -74.2 | 150.6 | -161.4 | -66.7 | 166 | -52.8 | 0 | 0 | 115 | ||||
| 358 | F | 27.8 | Very low | 30.7 | Very low | 211 Ų | 211 | 153.2 Ų | 153.2 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | trans | -73.2 | 145.3 | 153.2 | -94.2 | -101.9 | 0 | 0 | 0 | 110.3 | ||||
| 359 | V | 30.6 | Very low | 30.6 | Very low | 111 Ų | 111 | 151.6 Ų | 151.6 | 67% | 0.673 | 79% | 0.791 | S | S | * | * | trans | -129.2 | 133.2 | 169.2 | -171.3 | 0 | 0 | 0 | 0 | 109.7 | N361 | V359-N361 WeakPolarHBondContact CG1-OD1 3.22Š| ||
| 360 | R | 31.4 | Very low | 30.7 | Very low | 229 Ų | 229 | 152.2 Ų | 152.2 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -149.4 | 98 | 164.6 | -176.9 | -176.2 | -69.9 | 158.9 | -2.3 | 108.7 | ||||
| 361 | N | 28.5 | Very low | 30.6 | Very low | 124 Ų | 124 | 153.4 Ų | 153.4 | 66% | 0.663 | 80% | 0.796 | S | S | * | * | trans | -87.7 | 142.1 | 176.3 | -65.8 | 3.3 | 0 | 0 | 0 | 110.4 | V359 | V359-N361 WeakPolarHBondContact CG1-OD1 3.22Š| ||
| 362 | L | 34.4 | Very low | 30.7 | Very low | 166 Ų | 166 | 151.9 Ų | 151.9 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | trans | -114.4 | 135.3 | 147.1 | -103.3 | 76 | 0 | 0 | 0 | 107.1 | ||||
| 363 | N | 30.1 | Very low | 31.6 | Very low | 136 Ų | 136 | 152.3 Ų | 152.3 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -92.6 | 140.7 | 173.1 | -56.8 | -22.8 | 0 | 0 | 0 | 109.2 | ||||
| 364 | R | 28.6 | Very low | 31.6 | Very low | 228 Ų | 228 | 152.7 Ų | 152.7 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -160.2 | 93.4 | 132.1 | -142.2 | 174.6 | -164 | -138.5 | -0.6 | 114.4 | ||||
| 365 | D | 29.2 | Very low | 31.5 | Very low | 127 Ų | 127 | 158.8 Ų | 158.8 | 68% | 0.679 | 80% | 0.795 | S | S | * | * | 36.1 | 109.4 | 128.4 | -33.3 | -39.7 | 0 | 0 | 0 | 119.8 | |||||
| 366 | T | 30.7 | Very low | 31.6 | Very low | 154 Ų | 154 | 158.9 Ų | 158.9 | 95% | 0.945 | 79% | 0.787 | S | S | * | * | trans | -138.7 | 139 | 132.4 | -26.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 367 | L | 34.5 | Very low | 31.8 | Very low | 148 Ų | 148 | 161.8 Ų | 161.8 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | trans | -124.2 | 148.9 | -172.4 | -179.4 | 70.3 | 0 | 0 | 0 | 110.9 | ||||
| 368 | E | 31.3 | Very low | 32.2 | Very low | 163 Ų | 163 | 161.2 Ų | 161.2 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | 135.9 | 77.2 | 165.1 | -76.9 | -83.9 | 88.3 | 0 | 0 | 108.5 | ||||
| 369 | K | 32.7 | Very low | 32.4 | Very low | 158 Ų | 158 | 159.7 Ų | 159.7 | 69% | 0.687 | 78% | 0.781 | S | S | * | * | 68.5 | 89.1 | 69.3 | -163.3 | -178.4 | 180 | -177.9 | 0 | 113.8 | |||||
| 370 | N | 31 | Very low | 32.7 | Very low | 160 Ų | 160 | 159.3 Ų | 159.3 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | -99.9 | 163.8 | 155.3 | -89.7 | -79 | 0 | 0 | 0 | 110.3 | ||||
| 371 | H | 32.8 | Very low | 33.3 | Very low | 175 Ų | 175 | 153.9 Ų | 153.9 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -82.8 | 154.6 | -167.9 | -84.1 | -93.9 | 0 | 0 | 0 | 115.9 | ||||
| 372 | S | 31.1 | Very low | 33.2 | Very low | 105 Ų | 105 | 159.3 Ų | 159.3 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | -39 | 173.2 | 158.8 | -50.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 373 | P | 49.8 | Very low | 32.9 | Very low | 116 Ų | 116 | 155.2 Ų | 155.2 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | cis | -134.8 | 168.7 | -0.3 | 27 | -3.9 | 0 | 0 | 0 | 117.2 | ||||
| 374 | D | 27.1 | Very low | 32.6 | Very low | 126 Ų | 126 | 156.1 Ų | 156.1 | 67% | 0.674 | 78% | 0.784 | S | S | * | * | trans | 23 | 121.6 | 134.6 | -165.8 | 50.1 | 0 | 0 | 0 | 120.3 | ||||
| 375 | R | 30.7 | Very low | 33.7 | Very low | 237 Ų | 237 | 150.1 Ų | 150.1 | 89% | 0.894 | 78% | 0.775 | S | S | * | * | -152.9 | 138.2 | 99.1 | -109.3 | -175.3 | -177.1 | -158.2 | 0 | 116 | |||||
| 376 | R | 31.5 | Very low | 33.7 | Very low | 206 Ų | 206 | 149.4 Ų | 149.4 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | trans | -111.3 | 175.2 | 169.1 | -155 | -166 | -62.7 | -168.8 | 0.6 | 109.6 | ||||
| 377 | N | 32.5 | Very low | 33.8 | Very low | 132 Ų | 132 | 148.2 Ų | 148.2 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | 85.2 | 130.8 | 168.7 | -48 | -26 | 0 | 0 | 0 | 113.7 | ||||
| 378 | Q | 40.3 | Very low | 33.8 | Very low | 173 Ų | 173 | 149.1 Ų | 149.1 | 81% | 0.808 | 76% | 0.756 | S | S | * | * | cis | 80 | 138.8 | 41.6 | -72.2 | -86 | 54.8 | 0 | 0 | 114.5 | ||||
| 379 | M | 32.6 | Very low | 34 | Very low | 180 Ų | 180 | 148.4 Ų | 148.4 | 89% | 0.887 | 75% | 0.747 | S | S | * | * | trans | 83.8 | 137.5 | 173.7 | -49.5 | -146 | 72.5 | 0 | 0 | 117.9 | ||||
| 380 | S | 35.3 | Very low | 34.3 | Very low | 103 Ų | 103 | 149.2 Ų | 149.2 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | trans | -96.9 | 159.1 | 168.5 | -165 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 381 | P | 45.6 | Very low | 34.5 | Very low | 115 Ų | 115 | 147.9 Ų | 147.9 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | -150.8 | 154 | 89.6 | 38 | -20.2 | 0 | 0 | 0 | 117.5 | |||||
| 382 | R | 25.6 | Very low | 34.6 | Very low | 238 Ų | 238 | 144.7 Ų | 144.7 | 90% | 0.898 | 74% | 0.738 | S | S | * | * | trans | 65.5 | 142.1 | 149.6 | -84.2 | -173.1 | 169.1 | -118.9 | -0.5 | 122.4 | ||||
| 383 | A | 28.3 | Very low | 34.6 | Very low | 80 Ų | 80 | 146.9 Ų | 146.9 | 66% | 0.661 | 74% | 0.742 | S | S | * | * | trans | 68.9 | 100.8 | 148.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 384 | D | 24.5 | Very low | 33.6 | Very low | 155 Ų | 155 | 144.6 Ų | 144.6 | 83% | 0.829 | 74% | 0.739 | S | S | * | * | 41.7 | 152.3 | 114.4 | -58.8 | -5 | 0 | 0 | 0 | 122 | |||||
| 385 | P | 50.5 | Low | 34.1 | Very low | 102 Ų | 102 | 146.7 Ų | 146.7 | 66% | 0.662 | 75% | 0.745 | S | S | * | * | cis | -141.5 | 171.9 | -43.3 | 39.6 | -23.8 | 0 | 0 | 0 | 113.4 | ||||
| 386 | S | 29.9 | Very low | 34.3 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | trans | 69 | 173.6 | 162.8 | -37.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 387 | E | 32.3 | Very low | 34.6 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 61% | 0.607 | 74% | 0.743 | S | S | * | * | cis | -142.5 | 149.2 | 13.3 | -101.2 | -146.7 | 150.7 | 0 | 0 | 113.5 | ||||
| 388 | R | 35.5 | Very low | 34.7 | Very low | 166 Ų | 166 | 136.4 Ų | 136.4 | 63% | 0.626 | 74% | 0.742 | S | S | * | * | trans | 55.7 | 150.3 | 138.1 | -63.1 | -169.5 | -164.8 | 179.2 | 24.6 | 121.2 | ||||
| 389 | R | 34.3 | Very low | 34.9 | Very low | 149 Ų | 149 | 136.9 Ų | 136.9 | 56% | 0.562 | 74% | 0.741 | S | S | * | * | cis | -163.2 | 150 | -18.6 | -119.1 | 178 | -166 | -167.1 | 0.5 | 109.4 | H391 | R389-H391 WeakPolarHBondContact CD-NE2 3.36Š| ||
| 390 | L | 39.4 | Very low | 35.3 | Very low | 174 Ų | 174 | 137.3 Ų | 137.3 | 91% | 0.911 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -80.8 | 132.7 | 136.7 | -67.2 | 173.8 | 0 | 0 | 0 | 108 | ||
| 391 | H | 35 | Very low | 35.5 | Very low | 132 Ų | 132 | 136.9 Ų | 136.9 | 61% | 0.611 | 74% | 0.743 | S | S | * | * | trans | -106.6 | 147.5 | 175.1 | -85.2 | 100.3 | 0 | 0 | 0 | 107.5 | R389 | R389-H391 WeakPolarHBondContact CD-NE2 3.36Š| ||
| 392 | V | 34.6 | Very low | 35.1 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 66% | 0.655 | 75% | 0.747 | S | S | * | * | cis | -157.9 | 165.5 | -2.5 | 80.2 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 393 | N | 31 | Very low | 35.7 | Very low | 151 Ų | 151 | 128.5 Ų | 128.5 | 81% | 0.807 | 74% | 0.735 | S | S | * | * | cis | -161 | 163.7 | 40.7 | -149.7 | -9.1 | 0 | 0 | 0 | 111.5 | ||||
| 394 | G | 28.3 | Very low | 36.2 | Very low | 68 Ų | 68 | 131.5 Ų | 131.5 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | trans | 158.1 | 55.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 395 | Q | 37.6 | Very low | 36.8 | Very low | 171 Ų | 171 | 130.3 Ų | 130.3 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | trans | 40.2 | 132.3 | 148.4 | -80.5 | 176.1 | -22.8 | 0 | 0 | 123.7 | ||||
| 396 | N | 35.7 | Very low | 37.2 | Very low | 152 Ų | 152 | 131.1 Ų | 131.1 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | trans | 82 | 130.3 | 145.9 | -54.4 | -12.8 | 0 | 0 | 0 | 121.4 | ||||
| 397 | G | 37.2 | Very low | 38 | Very low | 79 Ų | 79 | 133 Ų | 133 | 81% | 0.814 | 75% | 0.753 | S | S | * | * | 113.3 | 78.4 | 126.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 398 | D | 36.3 | Very low | 38.2 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 68% | 0.684 | 76% | 0.759 | S | S | * | * | trans | -24.9 | 138.3 | 162.6 | -88.4 | 29.7 | 0 | 0 | 0 | 120.4 | ||||
| 399 | K | 44.3 | Very low | 39.4 | Very low | 183 Ų | 183 | 132.3 Ų | 132.3 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | trans | 86.6 | 151.6 | 134.3 | -73 | 172 | 179.7 | 124.5 | 0 | 122.5 | ||||
| 400 | E | 41.1 | Very low | 39.8 | Very low | 189 Ų | 189 | 131.8 Ų | 131.8 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -74.3 | 160.5 | 175.3 | -49.6 | 167.5 | 91.7 | 0 | 0 | 112.7 | ||||
| 401 | A | 37.6 | Very low | 40.7 | Very low | 93 Ų | 93 | 127.3 Ų | 127.3 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | -168.1 | 112.9 | 118.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 402 | A | 38.3 | Very low | 41.2 | Very low | 100 Ų | 100 | 125.5 Ų | 125.5 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | 52.2 | 166.5 | 133.3 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 403 | A | 38.3 | Very low | 42.2 | Very low | 78 Ų | 78 | 123.4 Ų | 123.4 | 65% | 0.645 | 79% | 0.79 | S | S | * | * | trans | 91.5 | 101.5 | 143.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 404 | N | 38.5 | Very low | 43.2 | Very low | 143 Ų | 143 | 122.4 Ų | 122.4 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | 104.7 | 118.3 | 118.4 | -66.5 | -6.1 | 0 | 0 | 0 | 122.4 | |||||
| 405 | T | 36.7 | Very low | 44.9 | Very low | 130 Ų | 130 | 126.2 Ų | 126.2 | 80% | 0.798 | 80% | 0.8 | S | S | * | * | trans | 60.3 | 103.7 | 136.6 | 59.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 406 | S | 58.6 | Low | 46.2 | Very low | 119 Ų | 119 | 120.9 Ų | 120.9 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -75.2 | 123.7 | 144.1 | 47.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 407 | T | 47.1 | Very low | 48.2 | Very low | 149 Ų | 149 | 117.4 Ų | 117.4 | 91% | 0.914 | 77% | 0.769 | S | S | * | * | trans | -171.1 | 124.3 | 149.1 | -75.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 408 | G | 35.9 | Very low | 50.1 | Low | 71 Ų | 71 | 121 Ų | 121 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | trans | 164.7 | 115.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 409 | K | 62.4 | Low | 52.3 | Low | 212 Ų | 212 | 120 Ų | 120 | 92% | 0.922 | 76% | 0.756 | S | S | * | * | trans | -111.8 | 83.2 | -174.9 | -173.4 | -176.5 | 178.3 | -177.6 | 0 | 110.7 | ||||
| 410 | V | 41.8 | Very low | 54.1 | Low | 137 Ų | 137 | 114 Ų | 114 | 83% | 0.83 | 74% | 0.74 | S | S | * | * | trans | -143 | 146.1 | 167 | -91.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 411 | G | 57.9 | Low | 56.3 | Low | 80 Ų | 80 | 109.6 Ų | 109.6 | 83% | 0.825 | 73% | 0.726 | S | S | * | * | cis | 102.9 | 27.9 | 9.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 412 | A | 45.6 | Very low | 58.8 | Low | 95 Ų | 95 | 113.4 Ų | 113.4 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | trans | -142.1 | 145.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 413 | G | 55.5 | Low | 61.3 | Low | 64 Ų | 64 | 114 Ų | 114 | 66% | 0.66 | 71% | 0.71 | S | S | * | * | trans | -82 | 140.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T415 | G413-T415 PolarHBondContact O-N 2.91Å; G413-T415 VanDerWaalsContact O-N 3.12Å | ||
| 414 | T | 52.2 | Low | 63.9 | Low | 129 Ų | 129 | 114.5 Ų | 114.5 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | trans | -71.9 | 100.8 | 165.9 | 49.3 | 0 | 0 | 0 | 0 | 108.7 | N416 | T414-N416 PolarHBondContact O-N 2.89Š| ||
| 415 | T | 63.7 | Low | 66.5 | Low | 149 Ų | 149 | 109.2 Ų | 109.2 | 91% | 0.914 | 68% | 0.677 | S | S | * | * | trans | -77.8 | 58.1 | -170.5 | 51.4 | 0 | 0 | 0 | 0 | 113.6 | G413 | G413-T415 PolarHBondContact O-N 2.91Å; G413-T415 VanDerWaalsContact O-N 3.12Å | ||
| 416 | N | 66.6 | Low | 69.3 | Low | 59 Ų | 59 | 106.1 Ų | 106.1 | 32% | 0.316 | 65% | 0.654 | S | S | . | * | trans | -143.5 | 111.6 | 165.5 | -169.4 | -4.9 | 0 | 0 | 0 | 111.2 | T414 E418 E419 A420 | T414-N416 PolarHBondContact O-N 2.89Å; N416-E418 VanDerWaalsContact C-N 3.29Å; N416-E418 PolarHBondContact O-N 3.03Å; N416-E418 PolarHBondContact OD1-N 2.88Å; N416-E418 VanDerWaalsContact OD1-N 3.12Å; N416-E419 HydrophobicContact CB-CB 4.26Å; N416-E419 HydrophobicContact CB-CG 4.3Å; N416-E419 PolarHBondContact ND2-OE1 3.28Å; N416-E419 PolarHBondContact O-N 2.86Å; N416-A420 PolarHBondContact O-N 3.43Å | ||
| 417 | A | 75.8 | Confident | 71 | Confident | 79 Ų | 79 | 109.2 Ų | 109.2 | 65% | 0.653 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -68.7 | -27 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T421 | A417-T421 WeakPolarHBondContact O-CB 3.39Å; A417-T421 PolarHBondContact O-N 2.89Å; A417-T421 PolarHBondContact O-OG1 3.33Å |
| 418 | E | 78.9 | Confident | 73.3 | Confident | 153 Ų | 153 | 109.6 Ų | 109.6 | 72% | 0.715 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -72.4 | -39.1 | 179.7 | -58.9 | -169.3 | 161.1 | 0 | 0 | 111.4 | N416 T421 R422 | N416-E418 VanDerWaalsContact C-N 3.29Å; N416-E418 PolarHBondContact O-N 3.03Å; N416-E418 PolarHBondContact OD1-N 2.88Å; N416-E418 VanDerWaalsContact OD1-N 3.12Å; E418-T421 WeakPolarHBondContact O-CB 3.45Å; E418-T421 PolarHBondContact O-N 3.46Å; E418-R422 WeakPolarHBondContact O-CB 3.46Å; E418-R422 PolarHBondContact O-N 3.15Å |
| 419 | E | 80.9 | Confident | 76.1 | Confident | 109 Ų | 109 | 112.6 Ų | 112.6 | 51% | 0.509 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.1 | -42.5 | 175.8 | -76.7 | 170.6 | -151 | 0 | 0 | 112.1 | N416 T421 R422 L423 | N416-E419 HydrophobicContact CB-CB 4.26Å; N416-E419 HydrophobicContact CB-CG 4.3Å; N416-E419 PolarHBondContact ND2-OE1 3.28Å; N416-E419 PolarHBondContact O-N 2.86Å; E419-T421 VanDerWaalsContact C-N 3.28Å; E419-T421 PolarHBondContact O-N 3.5Å; E419-R422 PolarHBondContact O-N 2.79Å; E419-L423 WeakPolarHBondContact O-CB 3.38Å; E419-L423 WeakPolarHBondContact O-CG 3.48Å; E419-L423 PolarHBondContact O-N 3.31Å |
| 420 | A | 83.1 | Confident | 77.6 | Confident | 56 Ų | 56 | 107.9 Ų | 107.9 | 46% | 0.463 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -59.4 | -41 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N416 L424 | N416-A420 PolarHBondContact O-N 3.43Å; A420-L424 WeakPolarHBondContact O-CB 3.29Å; A420-L424 PolarHBondContact O-N 2.94Å |
| 421 | T | 87.4 | Confident | 80.1 | Confident | 96 Ų | 96 | 104 Ų | 104 | 59% | 0.589 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.2 | -42.9 | 175.8 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | A417 E418 E419 L424 A425 | A417-T421 WeakPolarHBondContact O-CB 3.39Å; A417-T421 PolarHBondContact O-N 2.89Å; A417-T421 PolarHBondContact O-OG1 3.33Å; E418-T421 WeakPolarHBondContact O-CB 3.45Å; E418-T421 PolarHBondContact O-N 3.46Å; E419-T421 VanDerWaalsContact C-N 3.28Å; E419-T421 PolarHBondContact O-N 3.5Å; T421-L424 PolarHBondContact O-N 3.35Å; T421-A425 WeakPolarHBondContact O-CB 3.26Å; T421-A425 PolarHBondContact O-N 2.87Å |
| 422 | R | 90.8 | Very high | 81.8 | Confident | 174 Ų | 174 | 109.3 Ų | 109.3 | 66% | 0.657 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.3 | -46.9 | 176.3 | -177.8 | 176.9 | 175.3 | 172 | -0.7 | 111.5 | E418 E419 L424 A425 E426 | E418-R422 WeakPolarHBondContact O-CB 3.46Å; E418-R422 PolarHBondContact O-N 3.15Å; E419-R422 PolarHBondContact O-N 2.79Å; R422-L424 VanDerWaalsContact C-N 3.34Å; R422-L424 PolarHBondContact O-N 3.48Å; R422-A425 CarbonylContact O-C 3.6Å; R422-A425 WeakPolarHBondContact O-CB 3.41Å; R422-A425 PolarHBondContact O-N 3.47Å; R422-E426 WeakPolarHBondContact O-CB 3.31Å; R422-E426 PolarHBondContact O-N 2.9Å |
| 423 | L | 90.4 | Very high | 84.1 | Confident | 113 Ų | 113 | 107.1 Ų | 107.1 | 59% | 0.592 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.4 | -37.3 | 176.9 | -72.6 | 170.6 | 0 | 0 | 0 | 112.3 | E419 E426 R427 | E419-L423 WeakPolarHBondContact O-CB 3.38Å; E419-L423 WeakPolarHBondContact O-CG 3.48Å; E419-L423 PolarHBondContact O-N 3.31Å; L423-E426 WeakPolarHBondContact O-CB 3.29Å; L423-E426 PolarHBondContact O-N 2.85Å; L423-R427 PolarHBondContact O-N 3.23Å |
| 424 | L | 91.8 | Very high | 85.8 | Confident | 87 Ų | 87 | 110.8 Ų | 110.8 | 46% | 0.455 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69.3 | -37.1 | 174.6 | -174.1 | 60.6 | 0 | 0 | 0 | 111.9 | A420 T421 R422 R428 | A420-L424 WeakPolarHBondContact O-CB 3.29Å; A420-L424 PolarHBondContact O-N 2.94Å; T421-L424 PolarHBondContact O-N 3.35Å; R422-L424 VanDerWaalsContact C-N 3.34Å; R422-L424 PolarHBondContact O-N 3.48Å; L424-R428 WeakPolarHBondContact O-CB 3.41Å; L424-R428 WeakPolarHBondContact O-CD 3.44Å; L424-R428 WeakPolarHBondContact O-CG 3.44Å; L424-R428 PolarHBondContact O-N 3.16Å |
| 425 | A | 94.2 | Very high | 87.8 | Confident | 33 Ų | 33 | 110.1 Ų | 110.1 | 27% | 0.273 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.6 | -38.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T421 R422 R428 R429 | T421-A425 WeakPolarHBondContact O-CB 3.26Å; T421-A425 PolarHBondContact O-N 2.87Å; R422-A425 CarbonylContact O-C 3.6Å; R422-A425 WeakPolarHBondContact O-CB 3.41Å; R422-A425 PolarHBondContact O-N 3.47Å; A425-R428 PolarHBondContact O-N 3.03Å; A425-R429 PolarHBondContact O-N 3.3Å |
| 426 | E | 94.1 | Very high | 89.3 | Confident | 64 Ų | 64 | 109.3 Ų | 109.3 | 30% | 0.299 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.8 | -51.7 | 174.5 | -152.3 | 71.4 | -94.1 | 0 | 0 | 111 | R422 L423 R428 R429 Q430 | R422-E426 WeakPolarHBondContact O-CB 3.31Å; R422-E426 PolarHBondContact O-N 2.9Å; L423-E426 WeakPolarHBondContact O-CB 3.29Å; L423-E426 PolarHBondContact O-N 2.85Å; E426-R428 VanDerWaalsContact C-N 3.3Å; E426-R428 PolarHBondContact O-N 2.81Å; E426-R429 WeakPolarHBondContact O-CB 3.36Å; E426-R429 PolarHBondContact O-N 2.98Å; E426-R429 VanDerWaalsContact O-N 3.09Å; E426-R429 IonicContact OE1-CZ 2.7Å; E426-R429 VanDerWaalsContact OE1-CZ 3.26Å; E426-R429 IonicContact OE1-NE 2.69Å; E426-R429 PolarHBondContact OE1-NE 2.96Å; E426-R429 IonicContact OE1-NH2 2.72Å; E426-R429 PolarHBondContact OE1-NH2 2.95Å; E426-R429 IonicContact OE2-NH2 3.15Å; E426-R429 PolarHBondContact OE2-NH2 3.36Å; E426-Q430 WeakPolarHBondContact O-CG 3.49Å; E426-Q430 PolarHBondContact O-N 2.97Å |
| 427 | R | 94.3 | Very high | 90.6 | Very high | 185 Ų | 185 | 112.6 Ų | 112.6 | 70% | 0.698 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62.2 | -35.6 | 176.1 | -74.6 | -176.8 | 173.6 | -173.5 | -0.9 | 112.4 | L423 Q430 A431 | L423-R427 PolarHBondContact O-N 3.23Å; R427-Q430 PolarHBondContact O-N 3.36Å; R427-A431 WeakPolarHBondContact O-CB 3.33Å; R427-A431 PolarHBondContact O-N 2.82Å |
| 428 | R | 96.3 | Very high | 91.3 | Very high | 157 Ų | 157 | 114.4 Ų | 114.4 | 59% | 0.592 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67 | -35.6 | 173.1 | -75.6 | 166.9 | 175.6 | 168.7 | -1.5 | 112.6 | L424 A425 E426 R432 | L424-R428 WeakPolarHBondContact O-CB 3.41Å; L424-R428 WeakPolarHBondContact O-CD 3.44Å; L424-R428 WeakPolarHBondContact O-CG 3.44Å; L424-R428 PolarHBondContact O-N 3.16Å; A425-R428 PolarHBondContact O-N 3.03Å; E426-R428 VanDerWaalsContact C-N 3.3Å; E426-R428 PolarHBondContact O-N 2.81Å; R428-R432 VanDerWaalsContact O-CG 3.32Å; R428-R432 WeakPolarHBondContact O-CG 3.45Å; R428-R432 PolarHBondContact O-N 3.09Å |
| 429 | R | 95.4 | Very high | 92 | Very high | 134 Ų | 134 | 112 Ų | 112 | 51% | 0.506 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.5 | -47.7 | 170.7 | -75.1 | -171.8 | -72.9 | -100.3 | 6.8 | 111.2 | A425 E426 A431 R432 A433 | A425-R429 PolarHBondContact O-N 3.3Å; E426-R429 WeakPolarHBondContact O-CB 3.36Å; E426-R429 PolarHBondContact O-N 2.98Å; E426-R429 VanDerWaalsContact O-N 3.09Å; E426-R429 IonicContact OE1-CZ 2.7Å; E426-R429 VanDerWaalsContact OE1-CZ 3.26Å; E426-R429 IonicContact OE1-NE 2.69Å; E426-R429 PolarHBondContact OE1-NE 2.96Å; E426-R429 IonicContact OE1-NH2 2.72Å; E426-R429 PolarHBondContact OE1-NH2 2.95Å; E426-R429 IonicContact OE2-NH2 3.15Å; E426-R429 PolarHBondContact OE2-NH2 3.36Å; R429-A431 PolarHBondContact O-N 3.42Å; R429-R432 PolarHBondContact O-N 3.32Å; R429-A433 PolarHBondContact O-N 3.44Å |
| 430 | Q | 93.4 | Very high | 92.5 | Very high | 112 Ų | 112 | 112.6 Ų | 112.6 | 52% | 0.523 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.6 | -45.2 | 178.3 | -70.7 | 171.7 | -15.1 | 0 | 0 | 112.1 | E426 R427 R432 A433 Q434 | E426-Q430 WeakPolarHBondContact O-CG 3.49Å; E426-Q430 PolarHBondContact O-N 2.97Å; R427-Q430 PolarHBondContact O-N 3.36Å; Q430-R432 VanDerWaalsContact C-N 3.33Å; Q430-R432 PolarHBondContact O-N 2.91Å; Q430-A433 PolarHBondContact O-N 2.9Å; Q430-Q434 WeakPolarHBondContact O-CG 3.41Å; Q430-Q434 PolarHBondContact O-N 3.23Å |
| 431 | A | 93.1 | Very high | 92.8 | Very high | 56 Ų | 56 | 116.7 Ų | 116.7 | 46% | 0.463 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.1 | -36.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R427 R429 K435 | R427-A431 WeakPolarHBondContact O-CB 3.33Å; R427-A431 PolarHBondContact O-N 2.82Å; R429-A431 PolarHBondContact O-N 3.42Å; A431-K435 PolarHBondContact O-N 3.02Å |
| 432 | R | 94.6 | Very high | 92.8 | Very high | 192 Ų | 192 | 116.6 Ų | 116.6 | 73% | 0.725 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67.4 | -46.5 | 173.2 | -73.9 | 175.7 | -176.2 | -161.6 | 0.6 | 111.8 | R428 R429 Q430 Q434 K435 E436 | R428-R432 VanDerWaalsContact O-CG 3.32Å; R428-R432 WeakPolarHBondContact O-CG 3.45Å; R428-R432 PolarHBondContact O-N 3.09Å; R429-R432 PolarHBondContact O-N 3.32Å; Q430-R432 VanDerWaalsContact C-N 3.33Å; Q430-R432 PolarHBondContact O-N 2.91Å; R432-Q434 VanDerWaalsContact C-N 3.31Å; R432-Q434 PolarHBondContact O-N 2.94Å; R432-K435 PolarHBondContact O-N 3.42Å; R432-E436 WeakPolarHBondContact O-CB 3.46Å; R432-E436 PolarHBondContact O-N 3.39Å |
| 433 | A | 94.1 | Very high | 92.9 | Very high | 49 Ų | 49 | 114.4 Ų | 114.4 | 41% | 0.405 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.4 | -35.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R429 Q430 L437 | R429-A433 PolarHBondContact O-N 3.44Å; Q430-A433 PolarHBondContact O-N 2.9Å; A433-L437 WeakPolarHBondContact O-CB 3.25Å; A433-L437 WeakPolarHBondContact O-CG 3.24Å; A433-L437 PolarHBondContact O-N 3.1Å |
| 434 | Q | 90.4 | Very high | 92.7 | Very high | 141 Ų | 141 | 113.5 Ų | 113.5 | 66% | 0.659 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.4 | -46 | 171.5 | -76.4 | -179 | -28.5 | 0 | 0 | 111.9 | Q430 R432 E436 L437 E438 | Q430-Q434 WeakPolarHBondContact O-CG 3.41Å; Q430-Q434 PolarHBondContact O-N 3.23Å; R432-Q434 VanDerWaalsContact C-N 3.31Å; R432-Q434 PolarHBondContact O-N 2.94Å; Q434-E436 VanDerWaalsContact C-N 3.34Å; Q434-E436 PolarHBondContact O-N 2.9Å; Q434-L437 PolarHBondContact O-N 3.22Å; Q434-E438 PolarHBondContact O-N 3.01Å |
| 435 | K | 95 | Very high | 92.6 | Very high | 115 Ų | 115 | 113.7 Ų | 113.7 | 50% | 0.5 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 174.5 | -174.9 | -179.8 | -179.8 | -73.9 | 0 | 111.6 | A431 R432 L437 E438 E439 | A431-K435 PolarHBondContact O-N 3.02Å; R432-K435 PolarHBondContact O-N 3.42Å; K435-L437 PolarHBondContact O-N 2.97Å; K435-E438 PolarHBondContact O-N 3.33Å; K435-E439 IonicContact NZ-OE1 3.1Å; K435-E439 PolarHBondContact NZ-OE1 3.5Å; K435-E439 IonicContact NZ-OE2 2.69Å; K435-E439 PolarHBondContact NZ-OE2 2.9Å; K435-E439 WeakPolarHBondContact O-CB 3.37Å; K435-E439 PolarHBondContact O-N 3.25Å |
| 436 | E | 94.4 | Very high | 92.3 | Very high | 132 Ų | 132 | 118 Ų | 118 | 62% | 0.617 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.6 | -40.4 | 179.6 | -170.4 | -177.4 | 154.2 | 0 | 0 | 111.9 | R432 Q434 K440 | R432-E436 WeakPolarHBondContact O-CB 3.46Å; R432-E436 PolarHBondContact O-N 3.39Å; Q434-E436 VanDerWaalsContact C-N 3.34Å; Q434-E436 PolarHBondContact O-N 2.9Å; E436-K440 WeakPolarHBondContact O-CB 3.34Å; E436-K440 PolarHBondContact O-N 2.83Å |
| 437 | L | 93.8 | Very high | 92.2 | Very high | 127 Ų | 127 | 119.2 Ų | 119.2 | 67% | 0.665 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.5 | -36.3 | 173.3 | -74.4 | 169.6 | 0 | 0 | 0 | 112.8 | A433 Q434 K435 K441 | A433-L437 WeakPolarHBondContact O-CB 3.25Å; A433-L437 WeakPolarHBondContact O-CG 3.24Å; A433-L437 PolarHBondContact O-N 3.1Å; Q434-L437 PolarHBondContact O-N 3.22Å; K435-L437 PolarHBondContact O-N 2.97Å; L437-K441 WeakPolarHBondContact O-CB 3.45Å; L437-K441 PolarHBondContact O-N 2.95Å |
| 438 | E | 91.5 | Very high | 91.9 | Very high | 117 Ų | 117 | 112.1 Ų | 112.1 | 55% | 0.547 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.3 | -47 | 175 | -172 | -178 | 176 | 0 | 0 | 111.9 | Q434 K435 K440 K441 Q442 | Q434-E438 PolarHBondContact O-N 3.01Å; K435-E438 PolarHBondContact O-N 3.33Å; E438-K440 PolarHBondContact O-N 2.86Å; E438-K441 CarbonylContact O-C 3.59Å; E438-K441 WeakPolarHBondContact O-CA 3.46Å; E438-K441 WeakPolarHBondContact O-CB 3.15Å; E438-K441 PolarHBondContact O-N 3.42Å; E438-Q442 WeakPolarHBondContact O-CG 3.47Å; E438-Q442 PolarHBondContact O-N 3.39Å; E438-Q442 PolarHBondContact OE1-NE2 3.38Å |
| 439 | E | 92.8 | Very high | 91.6 | Very high | 104 Ų | 104 | 111.9 Ų | 111.9 | 49% | 0.486 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 178.8 | -171.7 | 159.4 | -147.2 | 0 | 0 | 110.6 | K435 K441 Q442 E443 | K435-E439 IonicContact NZ-OE1 3.1Å; K435-E439 PolarHBondContact NZ-OE1 3.5Å; K435-E439 IonicContact NZ-OE2 2.69Å; K435-E439 PolarHBondContact NZ-OE2 2.9Å; K435-E439 WeakPolarHBondContact O-CB 3.37Å; K435-E439 PolarHBondContact O-N 3.25Å; E439-K441 VanDerWaalsContact C-N 3.33Å; E439-K441 PolarHBondContact O-N 3.4Å; E439-Q442 PolarHBondContact O-N 3.1Å; E439-E443 WeakPolarHBondContact O-CB 3.39Å; E439-E443 PolarHBondContact O-N 3.24Å |
| 440 | K | 91.8 | Very high | 91.1 | Very high | 120 Ų | 120 | 110.9 Ų | 110.9 | 52% | 0.522 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.2 | -32.5 | 172.1 | -169.6 | 166.1 | -170.6 | 164.1 | 0 | 112.9 | E436 E438 N444 | E436-K440 WeakPolarHBondContact O-CB 3.34Å; E436-K440 PolarHBondContact O-N 2.83Å; E438-K440 PolarHBondContact O-N 2.86Å; K440-N444 PolarHBondContact O-N 3.42Å; K440-N444 VanDerWaalsContact O-N 3.1Å; K440-N444 PolarHBondContact O-ND2 2.6Å |
| 441 | K | 89.1 | Confident | 90.9 | Very high | 143 Ų | 143 | 112 Ų | 112 | 62% | 0.622 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.4 | -43.8 | 171.7 | -176.1 | -170.3 | 170.8 | -165 | 0 | 111 | L437 E438 E439 N444 E445 | L437-K441 WeakPolarHBondContact O-CB 3.45Å; L437-K441 PolarHBondContact O-N 2.95Å; E438-K441 CarbonylContact O-C 3.59Å; E438-K441 WeakPolarHBondContact O-CA 3.46Å; E438-K441 WeakPolarHBondContact O-CB 3.15Å; E438-K441 PolarHBondContact O-N 3.42Å; E439-K441 VanDerWaalsContact C-N 3.33Å; E439-K441 PolarHBondContact O-N 3.4Å; K441-N444 PolarHBondContact O-N 2.99Å; K441-E445 WeakPolarHBondContact O-CB 3.42Å; K441-E445 PolarHBondContact O-N 3.47Å |
| 442 | Q | 87.6 | Confident | 90.9 | Very high | 94 Ų | 94 | 115 Ų | 115 | 44% | 0.439 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.2 | -37.8 | 177.2 | -67.5 | -178.1 | 22.2 | 0 | 0 | 112 | E438 E439 E445 Q446 | E438-Q442 WeakPolarHBondContact O-CG 3.47Å; E438-Q442 PolarHBondContact O-N 3.39Å; E438-Q442 PolarHBondContact OE1-NE2 3.38Å; E439-Q442 PolarHBondContact O-N 3.1Å; Q442-E445 PolarHBondContact O-N 2.87Å; Q442-Q446 WeakPolarHBondContact O-CB 3.45Å; Q442-Q446 WeakPolarHBondContact O-CG 3.37Å; Q442-Q446 PolarHBondContact O-N 2.97Å |
| 443 | E | 92.3 | Very high | 90.8 | Very high | 127 Ų | 127 | 111.9 Ų | 111.9 | 59% | 0.593 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.1 | -52.3 | 172.8 | -178.6 | -178.3 | -142.7 | 0 | 0 | 111.5 | E439 E445 Q446 E447 | E439-E443 WeakPolarHBondContact O-CB 3.39Å; E439-E443 PolarHBondContact O-N 3.24Å; E443-E445 VanDerWaalsContact C-N 3.27Å; E443-E445 PolarHBondContact O-N 3.25Å; E443-Q446 PolarHBondContact O-N 2.85Å; E443-E447 PolarHBondContact O-N 2.99Å |
| 444 | N | 86.3 | Confident | 90.6 | Very high | 95 Ų | 95 | 115.1 Ų | 115.1 | 51% | 0.508 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.9 | -35 | 176.4 | -79.8 | -80.8 | 0 | 0 | 0 | 112.4 | K440 K441 G448 | K440-N444 PolarHBondContact O-N 3.42Å; K440-N444 VanDerWaalsContact O-N 3.1Å; K440-N444 PolarHBondContact O-ND2 2.6Å; K441-N444 PolarHBondContact O-N 2.99Å; N444-G448 PolarHBondContact O-N 2.68Å |
| 445 | E | 90.8 | Very high | 90.7 | Very high | 91 Ų | 91 | 114.4 Ų | 114.4 | 43% | 0.425 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70.8 | -39.3 | 176.3 | -160.6 | -171.5 | 127.8 | 0 | 0 | 112 | K441 Q442 E443 G448 R449 | K441-E445 WeakPolarHBondContact O-CB 3.42Å; K441-E445 PolarHBondContact O-N 3.47Å; Q442-E445 PolarHBondContact O-N 2.87Å; E443-E445 VanDerWaalsContact C-N 3.27Å; E443-E445 PolarHBondContact O-N 3.25Å; E445-G448 PolarHBondContact O-N 3.25Å; E445-R449 WeakPolarHBondContact O-CB 3.25Å; E445-R449 WeakPolarHBondContact O-CD 3.47Å; E445-R449 WeakPolarHBondContact O-CG 3.37Å; E445-R449 PolarHBondContact O-N 3.17Å; E445-R449 IonicContact OE1-CZ 3.29Å; E445-R449 VanDerWaalsContact OE1-CZ 3.23Å; E445-R449 IonicContact OE1-NE 3.1Å; E445-R449 PolarHBondContact OE1-NE 3.24Å; E445-R449 IonicContact OE1-NH2 2.59Å; E445-R449 PolarHBondContact OE1-NH2 3.03Å |
| 446 | Q | 87.7 | Confident | 90.6 | Very high | 122 Ų | 122 | 115.5 Ų | 115.5 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.2 | -43.6 | 174.1 | -74.2 | 178.3 | 50.6 | 0 | 0 | 111.6 | Q442 E443 G448 R449 M450 | Q442-Q446 WeakPolarHBondContact O-CB 3.45Å; Q442-Q446 WeakPolarHBondContact O-CG 3.37Å; Q442-Q446 PolarHBondContact O-N 2.97Å; E443-Q446 PolarHBondContact O-N 2.85Å; Q446-G448 VanDerWaalsContact C-N 3.33Å; Q446-G448 PolarHBondContact O-N 2.95Å; Q446-R449 PolarHBondContact O-N 2.88Å; Q446-M450 WeakPolarHBondContact O-CG 3.31Å; Q446-M450 PolarHBondContact O-N 3.01Å |
| 447 | E | 90.6 | Very high | 90.5 | Very high | 91 Ų | 91 | 116.4 Ų | 116.4 | 43% | 0.425 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 175.2 | -157.6 | -163.6 | -170.3 | 0 | 0 | 111.4 | E443 M450 R451 | E443-E447 PolarHBondContact O-N 2.99Å; E447-M450 PolarHBondContact O-N 2.92Å; E447-R451 VanDerWaalsContact O-CG 3.28Å; E447-R451 WeakPolarHBondContact O-CG 3.32Å; E447-R451 PolarHBondContact O-N 2.86Å; E447-R451 IonicContact OE1-CZ 3.37Å; E447-R451 VanDerWaalsContact OE1-CZ 3.31Å; E447-R451 IonicContact OE1-NE 2.67Å; E447-R451 PolarHBondContact OE1-NE 3.38Å; E447-R451 IonicContact OE1-NH2 3.3Å; E447-R451 PolarHBondContact OE1-NH2 3.12Å; E447-R451 IonicContact OE2-CZ 2.69Å; E447-R451 IonicContact OE2-NE 2.69Å; E447-R451 IonicContact OE2-NH1 3.43Å; E447-R451 IonicContact OE2-NH2 2.66Å; E447-R451 PolarHBondContact OE2-NH2 3.39Å |
| 448 | G | 88.8 | Confident | 90.4 | Very high | 36 Ų | 36 | 116.4 Ų | 116.4 | 37% | 0.371 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.2 | -47.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N444 E445 Q446 R451 E452 | N444-G448 PolarHBondContact O-N 2.68Å; E445-G448 PolarHBondContact O-N 3.25Å; Q446-G448 VanDerWaalsContact C-N 3.33Å; Q446-G448 PolarHBondContact O-N 2.95Å; G448-R451 PolarHBondContact O-N 2.86Å; G448-E452 PolarHBondContact O-N 3.32Å |
| 449 | R | 90 | Very high | 90.6 | Very high | 151 Ų | 151 | 115.4 Ų | 115.4 | 57% | 0.57 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.6 | -42 | 176.6 | -72.7 | 160.9 | 177.4 | -93.5 | 6 | 112.2 | E445 Q446 E452 E453 | E445-R449 WeakPolarHBondContact O-CB 3.25Å; E445-R449 WeakPolarHBondContact O-CD 3.47Å; E445-R449 WeakPolarHBondContact O-CG 3.37Å; E445-R449 PolarHBondContact O-N 3.17Å; E445-R449 IonicContact OE1-CZ 3.29Å; E445-R449 VanDerWaalsContact OE1-CZ 3.23Å; E445-R449 IonicContact OE1-NE 3.1Å; E445-R449 PolarHBondContact OE1-NE 3.24Å; E445-R449 IonicContact OE1-NH2 2.59Å; E445-R449 PolarHBondContact OE1-NH2 3.03Å; Q446-R449 PolarHBondContact O-N 2.88Å; R449-E452 PolarHBondContact O-N 3.39Å; R449-E453 PolarHBondContact O-N 3.27Å |
| 450 | M | 83.9 | Confident | 90.7 | Very high | 113 Ų | 113 | 113 Ų | 113 | 56% | 0.557 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63 | -45.7 | 176 | -72.2 | -59.3 | -58.4 | 0 | 0 | 111.7 | Q446 E447 E452 E453 E454 | Q446-M450 WeakPolarHBondContact O-CG 3.31Å; Q446-M450 PolarHBondContact O-N 3.01Å; E447-M450 PolarHBondContact O-N 2.92Å; M450-E452 VanDerWaalsContact C-N 3.34Å; M450-E452 PolarHBondContact O-N 3.19Å; M450-E453 PolarHBondContact O-N 3.44Å; M450-E454 WeakPolarHBondContact O-CG 3.49Å; M450-E454 PolarHBondContact O-N 3.22Å |
| 451 | R | 90.6 | Very high | 90.7 | Very high | 136 Ų | 136 | 114 Ų | 114 | 51% | 0.513 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63 | -38.3 | 176.3 | -68.8 | 168.2 | 179.5 | -179.2 | 2 | 112.1 | E447 G448 Q455 | E447-R451 VanDerWaalsContact O-CG 3.28Å; E447-R451 WeakPolarHBondContact O-CG 3.32Å; E447-R451 PolarHBondContact O-N 2.86Å; E447-R451 IonicContact OE1-CZ 3.37Å; E447-R451 VanDerWaalsContact OE1-CZ 3.31Å; E447-R451 IonicContact OE1-NE 2.67Å; E447-R451 PolarHBondContact OE1-NE 3.38Å; E447-R451 IonicContact OE1-NH2 3.3Å; E447-R451 PolarHBondContact OE1-NH2 3.12Å; E447-R451 IonicContact OE2-CZ 2.69Å; E447-R451 IonicContact OE2-NE 2.69Å; E447-R451 IonicContact OE2-NH1 3.43Å; E447-R451 IonicContact OE2-NH2 2.66Å; E447-R451 PolarHBondContact OE2-NH2 3.39Å; G448-R451 PolarHBondContact O-N 2.86Å; R451-Q455 WeakPolarHBondContact O-CG 3.46Å; R451-Q455 PolarHBondContact O-N 3.35Å; R451-Q455 VanDerWaalsContact O-N 3.09Å |
| 452 | E | 92.1 | Very high | 90.9 | Very high | 119 Ų | 119 | 112.8 Ų | 112.8 | 56% | 0.556 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.6 | -44.3 | 173.6 | -165.9 | -163.7 | 142.1 | 0 | 0 | 111.5 | G448 R449 M450 E454 Q455 K456 | G448-E452 PolarHBondContact O-N 3.32Å; R449-E452 PolarHBondContact O-N 3.39Å; M450-E452 VanDerWaalsContact C-N 3.34Å; M450-E452 PolarHBondContact O-N 3.19Å; E452-E454 VanDerWaalsContact C-N 3.35Å; E452-E454 PolarHBondContact O-N 2.95Å; E452-Q455 PolarHBondContact O-N 2.88Å; E452-K456 WeakPolarHBondContact O-CB 3.38Å; E452-K456 PolarHBondContact O-N 3.19Å |
| 453 | E | 92.4 | Very high | 91 | Very high | 127 Ų | 127 | 113.5 Ų | 113.5 | 59% | 0.593 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63 | -40.1 | 177.9 | -170.3 | 173.8 | 156.4 | 0 | 0 | 111.8 | R449 M450 K456 K457 | R449-E453 PolarHBondContact O-N 3.27Å; M450-E453 PolarHBondContact O-N 3.44Å; E453-K456 PolarHBondContact O-N 2.93Å; E453-K457 WeakPolarHBondContact O-CB 3.3Å; E453-K457 PolarHBondContact O-N 3.3Å |
| 454 | E | 91.3 | Very high | 90.9 | Very high | 116 Ų | 116 | 114 Ų | 114 | 54% | 0.542 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62 | -46.8 | 173.4 | -74.3 | -171.6 | 161.1 | 0 | 0 | 112.6 | M450 E452 K456 K457 Q458 | M450-E454 WeakPolarHBondContact O-CG 3.49Å; M450-E454 PolarHBondContact O-N 3.22Å; E452-E454 VanDerWaalsContact C-N 3.35Å; E452-E454 PolarHBondContact O-N 2.95Å; E454-K456 PolarHBondContact O-N 3.39Å; E454-K457 WeakPolarHBondContact O-CB 3.33Å; E454-K457 PolarHBondContact O-N 3.39Å; E454-Q458 WeakPolarHBondContact O-CG 3.5Å; E454-Q458 PolarHBondContact O-N 2.6Å |
| 455 | Q | 90.8 | Very high | 91 | Very high | 126 Ų | 126 | 111.1 Ų | 111.1 | 59% | 0.589 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.1 | -43.2 | 176.2 | -72.4 | 179.2 | 12.2 | 0 | 0 | 111.7 | R451 E452 K457 Q458 L459 | R451-Q455 WeakPolarHBondContact O-CG 3.46Å; R451-Q455 PolarHBondContact O-N 3.35Å; R451-Q455 VanDerWaalsContact O-N 3.09Å; E452-Q455 PolarHBondContact O-N 2.88Å; Q455-K457 VanDerWaalsContact C-N 3.32Å; Q455-K457 PolarHBondContact O-N 2.86Å; Q455-Q458 PolarHBondContact O-N 3.1Å; Q455-L459 WeakPolarHBondContact O-CG 3.33Å; Q455-L459 PolarHBondContact O-N 2.59Å |
| 456 | K | 93.3 | Very high | 90.9 | Very high | 139 Ų | 139 | 112.1 Ų | 112.1 | 60% | 0.604 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.6 | -37.9 | 176.6 | -171.5 | 174.2 | -172.8 | 169.5 | 0 | 112.1 | E452 E453 E454 A460 | E452-K456 WeakPolarHBondContact O-CB 3.38Å; E452-K456 PolarHBondContact O-N 3.19Å; E453-K456 PolarHBondContact O-N 2.93Å; E454-K456 PolarHBondContact O-N 3.39Å; K456-A460 WeakPolarHBondContact O-CB 3.31Å; K456-A460 PolarHBondContact O-N 3.2Å |
| 457 | K | 93.3 | Very high | 90.9 | Very high | 151 Ų | 151 | 112.2 Ų | 112.2 | 66% | 0.657 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.3 | -41.4 | 174.9 | -174.2 | 176.6 | -179 | 179.1 | 0 | 112 | E453 E454 Q455 A460 Q461 | E453-K457 WeakPolarHBondContact O-CB 3.3Å; E453-K457 PolarHBondContact O-N 3.3Å; E454-K457 WeakPolarHBondContact O-CB 3.33Å; E454-K457 PolarHBondContact O-N 3.39Å; Q455-K457 VanDerWaalsContact C-N 3.32Å; Q455-K457 PolarHBondContact O-N 2.86Å; K457-A460 PolarHBondContact O-N 2.98Å; K457-Q461 WeakPolarHBondContact O-CB 3.2Å; K457-Q461 PolarHBondContact O-N 3.04Å |
| 458 | Q | 92.3 | Very high | 90.9 | Very high | 126 Ų | 126 | 110.5 Ų | 110.5 | 59% | 0.589 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63 | -45.1 | 172.8 | -70.7 | 178.7 | 37.6 | 0 | 0 | 111.7 | E454 Q455 Q461 Q462 | E454-Q458 WeakPolarHBondContact O-CG 3.5Å; E454-Q458 PolarHBondContact O-N 2.6Å; Q455-Q458 PolarHBondContact O-N 3.1Å; Q458-Q461 PolarHBondContact O-N 2.84Å; Q458-Q462 WeakPolarHBondContact O-CB 3.49Å; Q458-Q462 PolarHBondContact O-N 3.47Å |
| 459 | L | 95.3 | Very high | 91.1 | Very high | 96 Ų | 96 | 116 Ų | 116 | 50% | 0.503 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.5 | -43.7 | 175.9 | -73.5 | 169.3 | 0 | 0 | 0 | 112.1 | Q455 Q461 Q462 Q463 | Q455-L459 WeakPolarHBondContact O-CG 3.33Å; Q455-L459 PolarHBondContact O-N 2.59Å; L459-Q461 PolarHBondContact O-N 3.25Å; L459-Q462 PolarHBondContact O-N 3.2Å; L459-Q463 WeakPolarHBondContact O-CG 3.45Å; L459-Q463 PolarHBondContact O-N 2.69Å |
| 460 | A | 93.6 | Very high | 91.1 | Very high | 55 Ų | 55 | 111.5 Ų | 111.5 | 46% | 0.455 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | K456 K457 Q463 Q464 | K456-A460 WeakPolarHBondContact O-CB 3.31Å; K456-A460 PolarHBondContact O-N 3.2Å; K457-A460 PolarHBondContact O-N 2.98Å; A460-Q463 PolarHBondContact O-N 3.09Å; A460-Q464 WeakPolarHBondContact O-CB 3.48Å; A460-Q464 PolarHBondContact O-N 3.49Å |
| 461 | Q | 93.4 | Very high | 91.4 | Very high | 140 Ų | 140 | 112.1 Ų | 112.1 | 65% | 0.654 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.1 | -39 | 175.8 | -169.9 | 177 | 25.6 | 0 | 0 | 111.9 | K457 Q458 L459 Q464 G465 | K457-Q461 WeakPolarHBondContact O-CB 3.2Å; K457-Q461 PolarHBondContact O-N 3.04Å; Q458-Q461 PolarHBondContact O-N 2.84Å; L459-Q461 PolarHBondContact O-N 3.25Å; Q461-Q464 PolarHBondContact O-N 3.4Å; Q461-G465 PolarHBondContact O-N 3.01Å |
| 462 | Q | 91.8 | Very high | 91.3 | Very high | 118 Ų | 118 | 112 Ų | 112 | 55% | 0.551 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.1 | -45.1 | 175.3 | -171 | -175.4 | 81.3 | 0 | 0 | 111.4 | Q458 L459 G465 Q466 | Q458-Q462 WeakPolarHBondContact O-CB 3.49Å; Q458-Q462 PolarHBondContact O-N 3.47Å; L459-Q462 PolarHBondContact O-N 3.2Å; Q462-G465 PolarHBondContact O-N 3.47Å; Q462-Q466 WeakPolarHBondContact O-CG 3.32Å; Q462-Q466 PolarHBondContact O-N 3.28Å |
| 463 | Q | 90.9 | Very high | 91.3 | Very high | 109 Ų | 109 | 111 Ų | 111 | 51% | 0.509 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.7 | -43.6 | 175.4 | -72.4 | 179.7 | 19.7 | 0 | 0 | 111.8 | L459 A460 G465 Q466 Q467 | L459-Q463 WeakPolarHBondContact O-CG 3.45Å; L459-Q463 PolarHBondContact O-N 2.69Å; A460-Q463 PolarHBondContact O-N 3.09Å; Q463-G465 VanDerWaalsContact C-N 3.32Å; Q463-G465 PolarHBondContact O-N 2.83Å; Q463-Q466 PolarHBondContact O-N 2.69Å; Q463-Q467 WeakPolarHBondContact O-CG 3.47Å; Q463-Q467 PolarHBondContact O-N 2.66Å |
| 464 | Q | 88.9 | Confident | 91.1 | Very high | 137 Ų | 137 | 110.5 Ų | 110.5 | 64% | 0.64 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.3 | -41 | 175.3 | -168.7 | -179.6 | 28.4 | 0 | 0 | 111.5 | A460 Q461 Q467 A468 | A460-Q464 WeakPolarHBondContact O-CB 3.48Å; A460-Q464 PolarHBondContact O-N 3.49Å; Q461-Q464 PolarHBondContact O-N 3.4Å; Q464-Q467 PolarHBondContact O-N 3.3Å; Q464-A468 WeakPolarHBondContact O-CB 3.39Å; Q464-A468 PolarHBondContact O-N 3.22Å |
| 465 | G | 90.3 | Very high | 91.2 | Very high | 34 Ų | 34 | 109 Ų | 109 | 35% | 0.351 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.9 | -35.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q461 Q462 Q463 K469 | Q461-G465 PolarHBondContact O-N 3.01Å; Q462-G465 PolarHBondContact O-N 3.47Å; Q463-G465 VanDerWaalsContact C-N 3.32Å; Q463-G465 PolarHBondContact O-N 2.83Å; G465-K469 VanDerWaalsContact O-CG 3.31Å; G465-K469 WeakPolarHBondContact O-CG 3.42Å; G465-K469 PolarHBondContact O-N 3.15Å; G465-K469 VanDerWaalsContact O-N 3.16Å |
| 466 | Q | 87.5 | Confident | 91.1 | Very high | 113 Ų | 113 | 111.5 Ų | 111.5 | 53% | 0.528 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.3 | -44.5 | 172.8 | -72.4 | 175.7 | 10.9 | 0 | 0 | 111.7 | Q462 Q463 A468 K469 A470 | Q462-Q466 WeakPolarHBondContact O-CG 3.32Å; Q462-Q466 PolarHBondContact O-N 3.28Å; Q463-Q466 PolarHBondContact O-N 2.69Å; Q466-A468 PolarHBondContact O-N 2.99Å; Q466-K469 PolarHBondContact O-N 2.91Å; Q466-A470 WeakPolarHBondContact O-CB 3.42Å; Q466-A470 PolarHBondContact O-N 3.3Å |
| 467 | Q | 87.7 | Confident | 91 | Very high | 123 Ų | 123 | 112.4 Ų | 112.4 | 58% | 0.575 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.9 | -43.5 | 176.7 | -72 | 178 | 5.8 | 0 | 0 | 112 | Q463 Q464 K469 A470 Q471 | Q463-Q467 WeakPolarHBondContact O-CG 3.47Å; Q463-Q467 PolarHBondContact O-N 2.66Å; Q464-Q467 PolarHBondContact O-N 3.3Å; Q467-K469 VanDerWaalsContact C-N 3.34Å; Q467-K469 PolarHBondContact O-N 2.9Å; Q467-A470 PolarHBondContact O-N 3.47Å; Q467-Q471 WeakPolarHBondContact O-CG 3.39Å; Q467-Q471 PolarHBondContact O-N 3.03Å |
| 468 | A | 91.8 | Very high | 90.7 | Very high | 55 Ų | 55 | 109 Ų | 109 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.6 | -39.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q464 Q466 Q472 | Q464-A468 WeakPolarHBondContact O-CB 3.39Å; Q464-A468 PolarHBondContact O-N 3.22Å; Q466-A468 PolarHBondContact O-N 2.99Å; A468-Q472 WeakPolarHBondContact O-CB 3.22Å; A468-Q472 PolarHBondContact O-N 3.1Å |
| 469 | K | 91.5 | Very high | 90.6 | Very high | 153 Ų | 153 | 107.9 Ų | 107.9 | 67% | 0.665 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.6 | -42 | 173.7 | -76.2 | 175.4 | 178.6 | -177.2 | 0 | 112.2 | G465 Q466 Q467 Q472 E473 | G465-K469 VanDerWaalsContact O-CG 3.31Å; G465-K469 WeakPolarHBondContact O-CG 3.42Å; G465-K469 PolarHBondContact O-N 3.15Å; G465-K469 VanDerWaalsContact O-N 3.16Å; Q466-K469 PolarHBondContact O-N 2.91Å; Q467-K469 VanDerWaalsContact C-N 3.34Å; Q467-K469 PolarHBondContact O-N 2.9Å; K469-Q472 PolarHBondContact O-N 3.33Å; K469-E473 PolarHBondContact O-N 3.4Å |
| 470 | A | 90.6 | Very high | 90.5 | Very high | 56 Ų | 56 | 108.2 Ų | 108.2 | 46% | 0.463 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q466 Q467 Q472 E473 E474 | Q466-A470 WeakPolarHBondContact O-CB 3.42Å; Q466-A470 PolarHBondContact O-N 3.3Å; Q467-A470 PolarHBondContact O-N 3.47Å; A470-Q472 PolarHBondContact O-N 3Å; A470-E473 PolarHBondContact O-N 3.01Å; A470-E474 WeakPolarHBondContact O-CB 3.49Å; A470-E474 PolarHBondContact O-N 2.69Å |
| 471 | Q | 89.1 | Confident | 90.2 | Very high | 126 Ų | 126 | 111.6 Ų | 111.6 | 59% | 0.589 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.6 | -40.8 | 173.8 | -72.2 | 176.4 | -3.8 | 0 | 0 | 112.1 | Q467 E474 V475 | Q467-Q471 WeakPolarHBondContact O-CG 3.39Å; Q467-Q471 PolarHBondContact O-N 3.03Å; Q471-E474 PolarHBondContact O-N 3.43Å; Q471-V475 WeakPolarHBondContact O-CB 3.34Å; Q471-V475 VanDerWaalsContact O-CG2 3.3Å; Q471-V475 WeakPolarHBondContact O-CG2 3.49Å; Q471-V475 PolarHBondContact O-N 3.17Å |
| 472 | Q | 90 | Very high | 90 | Very high | 132 Ų | 132 | 108.2 Ų | 108.2 | 62% | 0.617 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64 | -40.2 | 175.4 | -172.1 | 178.9 | 47.5 | 0 | 0 | 111.8 | A468 K469 A470 R476 | A468-Q472 WeakPolarHBondContact O-CB 3.22Å; A468-Q472 PolarHBondContact O-N 3.1Å; K469-Q472 PolarHBondContact O-N 3.33Å; A470-Q472 PolarHBondContact O-N 3Å; Q472-R476 WeakPolarHBondContact O-CG 3.43Å; Q472-R476 PolarHBondContact O-N 3.27Å |
| 473 | E | 91.1 | Very high | 89.9 | Confident | 99 Ų | 99 | 109 Ų | 109 | 46% | 0.463 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.4 | -41.7 | 177.2 | -157.1 | -164.7 | 141 | 0 | 0 | 111.9 | K469 A470 V475 R476 R477 | K469-E473 PolarHBondContact O-N 3.4Å; A470-E473 PolarHBondContact O-N 3.01Å; E473-V475 PolarHBondContact O-N 2.93Å; E473-R476 CarbonylContact O-C 3.58Å; E473-R476 PolarHBondContact O-N 2.89Å; E473-R476 VanDerWaalsContact O-N 3.11Å; E473-R477 WeakPolarHBondContact O-CG 3.33Å; E473-R477 PolarHBondContact O-N 3.31Å; E473-R477 IonicContact OE1-CZ 2.71Å; E473-R477 IonicContact OE1-NE 2.68Å; E473-R477 PolarHBondContact OE1-NE 2.87Å; E473-R477 IonicContact OE1-NH2 2.99Å; E473-R477 PolarHBondContact OE1-NH2 2.89Å |
| 474 | E | 89.3 | Confident | 89.9 | Confident | 116 Ų | 116 | 110 Ų | 110 | 54% | 0.542 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -58.1 | -46.7 | 173.4 | -174.3 | 179.1 | -175.9 | 0 | 0 | 111.3 | A470 Q471 R476 R477 N478 | A470-E474 WeakPolarHBondContact O-CB 3.49Å; A470-E474 PolarHBondContact O-N 2.69Å; Q471-E474 PolarHBondContact O-N 3.43Å; E474-R476 VanDerWaalsContact C-N 3.32Å; E474-R476 PolarHBondContact O-N 3.34Å; E474-R477 PolarHBondContact O-N 2.73Å; E474-N478 WeakPolarHBondContact O-CB 3.34Å; E474-N478 VanDerWaalsContact O-CG 3.24Å; E474-N478 PolarHBondContact O-N 3.45Å; E474-N478 PolarHBondContact O-ND2 2.72Å |
| 475 | V | 92.2 | Very high | 90.1 | Very high | 84 Ų | 84 | 110.3 Ų | 110.3 | 51% | 0.509 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.8 | -40.4 | 173.4 | 169.3 | 0 | 0 | 0 | 0 | 111.4 | Q471 E473 N478 N479 | Q471-V475 WeakPolarHBondContact O-CB 3.34Å; Q471-V475 VanDerWaalsContact O-CG2 3.3Å; Q471-V475 WeakPolarHBondContact O-CG2 3.49Å; Q471-V475 PolarHBondContact O-N 3.17Å; E473-V475 PolarHBondContact O-N 2.93Å; V475-N478 PolarHBondContact O-N 2.83Å; V475-N479 PolarHBondContact O-N 2.69Å; V475-N479 PolarHBondContact O-ND2 3.28Å |
| 476 | R | 89.7 | Confident | 90.2 | Very high | 180 Ų | 180 | 114.4 Ų | 114.4 | 68% | 0.679 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.4 | -41.7 | 175.2 | -72.9 | -174.8 | 76.5 | 86.7 | 3.1 | 112.5 | Q472 E473 E474 N479 V480 | Q472-R476 WeakPolarHBondContact O-CG 3.43Å; Q472-R476 PolarHBondContact O-N 3.27Å; E473-R476 CarbonylContact O-C 3.58Å; E473-R476 PolarHBondContact O-N 2.89Å; E473-R476 VanDerWaalsContact O-N 3.11Å; E474-R476 VanDerWaalsContact C-N 3.32Å; E474-R476 PolarHBondContact O-N 3.34Å; R476-N479 PolarHBondContact O-N 2.86Å; R476-V480 WeakPolarHBondContact O-CG2 3.47Å; R476-V480 PolarHBondContact O-N 3.26Å |
| 477 | R | 90.9 | Very high | 90.4 | Very high | 157 Ų | 157 | 114.5 Ų | 114.5 | 59% | 0.592 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.2 | -46.2 | 175 | -70.9 | 170.6 | 179.9 | -151.3 | 4.6 | 110.6 | E473 E474 V480 M481 | E473-R477 WeakPolarHBondContact O-CG 3.33Å; E473-R477 PolarHBondContact O-N 3.31Å; E473-R477 IonicContact OE1-CZ 2.71Å; E473-R477 IonicContact OE1-NE 2.68Å; E473-R477 PolarHBondContact OE1-NE 2.87Å; E473-R477 IonicContact OE1-NH2 2.99Å; E473-R477 PolarHBondContact OE1-NH2 2.89Å; E474-R477 PolarHBondContact O-N 2.73Å; R477-V480 PolarHBondContact O-N 2.92Å; R477-M481 WeakPolarHBondContact O-CG 3.37Å; R477-M481 PolarHBondContact O-N 3.4Å |
| 478 | N | 86.6 | Confident | 90.6 | Very high | 81 Ų | 81 | 114 Ų | 114 | 43% | 0.433 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62 | -45.3 | 177.5 | -68 | -15 | 0 | 0 | 0 | 111.8 | E474 V475 V480 M481 D482 | E474-N478 WeakPolarHBondContact O-CB 3.34Å; E474-N478 VanDerWaalsContact O-CG 3.24Å; E474-N478 PolarHBondContact O-N 3.45Å; E474-N478 PolarHBondContact O-ND2 2.72Å; V475-N478 PolarHBondContact O-N 2.83Å; N478-V480 VanDerWaalsContact C-N 3.3Å; N478-V480 PolarHBondContact O-N 2.82Å; N478-M481 PolarHBondContact O-N 2.67Å; N478-M481 VanDerWaalsContact O-N 3.16Å; N478-D482 WeakPolarHBondContact O-CB 3.48Å; N478-D482 PolarHBondContact O-N 2.7Å |
| 479 | N | 90.5 | Very high | 90.6 | Very high | 102 Ų | 102 | 115.5 Ų | 115.5 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.5 | -37.3 | 174.7 | -84.2 | -91.7 | 0 | 0 | 0 | 113 | V475 R476 H483 | V475-N479 PolarHBondContact O-N 2.69Å; V475-N479 PolarHBondContact O-ND2 3.28Å; R476-N479 PolarHBondContact O-N 2.86Å; N479-H483 WeakPolarHBondContact O-CB 3.35Å; N479-H483 PolarHBondContact O-N 3.44Å |
| 480 | V | 92.4 | Very high | 90.6 | Very high | 102 Ų | 102 | 113.1 Ų | 113.1 | 62% | 0.618 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69.3 | -41.5 | 175.5 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | R476 R477 N478 H483 H484 | R476-V480 WeakPolarHBondContact O-CG2 3.47Å; R476-V480 PolarHBondContact O-N 3.26Å; R477-V480 PolarHBondContact O-N 2.92Å; N478-V480 VanDerWaalsContact C-N 3.3Å; N478-V480 PolarHBondContact O-N 2.82Å; V480-H483 PolarHBondContact O-N 3.46Å; V480-H484 WeakPolarHBondContact O-CB 3.34Å; V480-H484 PolarHBondContact O-N 3.04Å |
| 481 | M | 87 | Confident | 90.6 | Very high | 127 Ų | 127 | 113.6 Ų | 113.6 | 63% | 0.626 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65 | -40.4 | 175.2 | -69.3 | -61.6 | -65.5 | 0 | 0 | 112.2 | R477 N478 H484 R485 | R477-M481 WeakPolarHBondContact O-CG 3.37Å; R477-M481 PolarHBondContact O-N 3.4Å; N478-M481 PolarHBondContact O-N 2.67Å; N478-M481 VanDerWaalsContact O-N 3.16Å; M481-H484 PolarHBondContact O-N 2.9Å; M481-R485 WeakPolarHBondContact O-CB 3.5Å; M481-R485 PolarHBondContact O-N 2.64Å |
| 482 | D | 89.3 | Confident | 90.7 | Very high | 69 Ų | 69 | 113.1 Ų | 113.1 | 37% | 0.369 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 174.9 | -73.5 | -32.6 | 0 | 0 | 0 | 111.4 | N478 H484 R485 L486 | N478-D482 WeakPolarHBondContact O-CB 3.48Å; N478-D482 PolarHBondContact O-N 2.7Å; D482-H484 VanDerWaalsContact C-N 3.35Å; D482-H484 PolarHBondContact O-N 3.47Å; D482-R485 PolarHBondContact O-N 3.32Å; D482-R485 IonicContact OD1-CZ 3.11Å; D482-R485 IonicContact OD1-NH1 3.4Å; D482-R485 PolarHBondContact OD1-NH1 3.04Å; D482-R485 IonicContact OD1-NH2 3.42Å; D482-R485 PolarHBondContact OD1-NH2 3.37Å; D482-L486 WeakPolarHBondContact O-CB 3.4Å; D482-L486 PolarHBondContact O-N 3.28Å |
| 483 | H | 90.4 | Very high | 90.8 | Very high | 134 Ų | 134 | 113.4 Ų | 113.4 | 62% | 0.62 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.7 | -39.6 | 174.9 | -175.3 | -65.5 | 0 | 0 | 0 | 112 | N479 V480 K487 | N479-H483 WeakPolarHBondContact O-CB 3.35Å; N479-H483 PolarHBondContact O-N 3.44Å; V480-H483 PolarHBondContact O-N 3.46Å; H483-K487 WeakPolarHBondContact O-CB 3.46Å; H483-K487 PolarHBondContact O-N 2.91Å |
| 484 | H | 91.1 | Very high | 90.7 | Very high | 130 Ų | 130 | 112.5 Ų | 112.5 | 60% | 0.602 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.7 | -42.4 | 175.2 | -170.7 | -72.3 | 0 | 0 | 0 | 111.7 | V480 M481 D482 K487 L488 | V480-H484 WeakPolarHBondContact O-CB 3.34Å; V480-H484 PolarHBondContact O-N 3.04Å; M481-H484 PolarHBondContact O-N 2.9Å; D482-H484 VanDerWaalsContact C-N 3.35Å; D482-H484 PolarHBondContact O-N 3.47Å; H484-K487 PolarHBondContact O-N 3.39Å; H484-L488 WeakPolarHBondContact O-CB 3.03Å; H484-L488 PolarHBondContact O-N 2.76Å |
| 485 | R | 93.5 | Very high | 90.7 | Very high | 144 Ų | 144 | 113.2 Ų | 113.2 | 54% | 0.543 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 175.4 | -174.5 | 177.3 | 67.6 | -104.8 | -3.5 | 111.4 | M481 D482 K487 L488 E489 | M481-R485 WeakPolarHBondContact O-CB 3.5Å; M481-R485 PolarHBondContact O-N 2.64Å; D482-R485 PolarHBondContact O-N 3.32Å; D482-R485 IonicContact OD1-CZ 3.11Å; D482-R485 IonicContact OD1-NH1 3.4Å; D482-R485 PolarHBondContact OD1-NH1 3.04Å; D482-R485 IonicContact OD1-NH2 3.42Å; D482-R485 PolarHBondContact OD1-NH2 3.37Å; R485-K487 VanDerWaalsContact C-N 3.32Å; R485-K487 PolarHBondContact O-N 3.09Å; R485-L488 PolarHBondContact O-N 3.21Å; R485-E489 PolarHBondContact O-N 2.88Å |
| 486 | L | 92.9 | Very high | 90.6 | Very high | 119 Ų | 119 | 113.4 Ų | 113.4 | 62% | 0.623 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62 | -41.2 | -179.9 | -156.8 | 79.1 | 0 | 0 | 0 | 111.5 | D482 E489 E490 | D482-L486 WeakPolarHBondContact O-CB 3.4Å; D482-L486 PolarHBondContact O-N 3.28Å; L486-E489 PolarHBondContact O-N 3.41Å; L486-E490 WeakPolarHBondContact O-CB 3.43Å; L486-E490 PolarHBondContact O-N 2.93Å |
| 487 | K | 91.3 | Very high | 90.6 | Very high | 115 Ų | 115 | 110.8 Ų | 110.8 | 50% | 0.5 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.4 | -41.7 | 177.2 | -173.1 | 169.1 | -177.6 | 177.5 | 0 | 112.7 | H483 H484 R485 E489 E490 D491 | H483-K487 WeakPolarHBondContact O-CB 3.46Å; H483-K487 PolarHBondContact O-N 2.91Å; H484-K487 PolarHBondContact O-N 3.39Å; R485-K487 VanDerWaalsContact C-N 3.32Å; R485-K487 PolarHBondContact O-N 3.09Å; K487-E489 VanDerWaalsContact C-N 3.26Å; K487-E489 PolarHBondContact O-N 3.34Å; K487-E490 PolarHBondContact O-N 3.38Å; K487-D491 PolarHBondContact O-N 3.46Å |
| 488 | L | 91.5 | Very high | 90.6 | Very high | 114 Ų | 114 | 109.1 Ų | 109.1 | 60% | 0.597 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61 | -37.5 | 174 | -177.6 | 64.2 | 0 | 0 | 0 | 111.7 | H484 R485 K492 | H484-L488 WeakPolarHBondContact O-CB 3.03Å; H484-L488 PolarHBondContact O-N 2.76Å; R485-L488 PolarHBondContact O-N 3.21Å; L488-K492 WeakPolarHBondContact O-CB 3.16Å; L488-K492 PolarHBondContact O-N 3.4Å |
| 489 | E | 91.4 | Very high | 90.7 | Very high | 85 Ų | 85 | 111.5 Ų | 111.5 | 40% | 0.397 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.2 | -38.4 | 175 | -157.9 | -170.6 | 144.5 | 0 | 0 | 112.3 | R485 L486 K487 R493 | R485-E489 PolarHBondContact O-N 2.88Å; L486-E489 PolarHBondContact O-N 3.41Å; K487-E489 VanDerWaalsContact C-N 3.26Å; K487-E489 PolarHBondContact O-N 3.34Å; E489-R493 WeakPolarHBondContact O-CG 3.47Å; E489-R493 PolarHBondContact O-N 2.78Å; E489-R493 IonicContact OE1-CZ 2.82Å; E489-R493 IonicContact OE1-NE 3.72Å; E489-R493 PolarHBondContact OE1-NE 2.97Å; E489-R493 IonicContact OE1-NH2 2.66Å; E489-R493 PolarHBondContact OE1-NH2 3.43Å |
| 490 | E | 91.3 | Very high | 90.8 | Very high | 104 Ų | 104 | 111.2 Ų | 111.2 | 49% | 0.486 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 174.5 | -162.3 | -158.3 | 134.2 | 0 | 0 | 111.8 | L486 K487 R493 K494 | L486-E490 WeakPolarHBondContact O-CB 3.43Å; L486-E490 PolarHBondContact O-N 2.93Å; K487-E490 PolarHBondContact O-N 3.38Å; E490-R493 PolarHBondContact O-N 3.48Å; E490-K494 WeakPolarHBondContact O-CG 3.49Å; E490-K494 PolarHBondContact O-N 2.94Å; E490-K494 VanDerWaalsContact O-N 3.1Å; E490-K494 WeakPolarHBondContact OE1-CE 3.41Å; E490-K494 IonicContact OE1-NZ 3.38Å; E490-K494 PolarHBondContact OE1-NZ 2.86Å |
| 491 | D | 89.9 | Confident | 90.7 | Very high | 66 Ų | 66 | 112.7 Ų | 112.7 | 35% | 0.353 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.5 | -37.5 | 179.4 | -68.9 | -27.2 | 0 | 0 | 0 | 111.4 | K487 R493 K494 E495 | K487-D491 PolarHBondContact O-N 3.46Å; D491-R493 PolarHBondContact O-N 2.86Å; D491-K494 WeakPolarHBondContact O-CB 3.35Å; D491-K494 PolarHBondContact O-N 3.01Å; D491-K494 VanDerWaalsContact O-N 3.15Å; D491-K494 IonicContact OD1-NZ 3.75Å; D491-K494 PolarHBondContact OD1-NZ 3.17Å; D491-E495 PolarHBondContact O-N 3.29Å |
| 492 | K | 93.3 | Very high | 90.9 | Very high | 115 Ų | 115 | 110.4 Ų | 110.4 | 50% | 0.5 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.8 | -41.3 | 170 | -175.2 | 171.7 | -174.8 | -72.8 | 0 | 112.6 | L488 K494 E495 E496 | L488-K492 WeakPolarHBondContact O-CB 3.16Å; L488-K492 PolarHBondContact O-N 3.4Å; K492-K494 VanDerWaalsContact C-N 3.28Å; K492-K494 PolarHBondContact O-N 2.98Å; K492-E495 PolarHBondContact O-N 3.32Å; K492-E496 IonicContact NZ-OE1 3.87Å; K492-E496 PolarHBondContact NZ-OE1 3.16Å; K492-E496 WeakPolarHBondContact O-CG 3.32Å; K492-E496 PolarHBondContact O-N 2.81Å |
| 493 | R | 90.6 | Very high | 90.9 | Very high | 138 Ų | 138 | 113.5 Ų | 113.5 | 52% | 0.521 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.7 | -30.1 | 175.1 | -72.1 | 166.2 | -177.6 | -143.5 | 6.9 | 112.4 | E489 E490 D491 Q497 | E489-R493 WeakPolarHBondContact O-CG 3.47Å; E489-R493 PolarHBondContact O-N 2.78Å; E489-R493 IonicContact OE1-CZ 2.82Å; E489-R493 IonicContact OE1-NE 3.72Å; E489-R493 PolarHBondContact OE1-NE 2.97Å; E489-R493 IonicContact OE1-NH2 2.66Å; E489-R493 PolarHBondContact OE1-NH2 3.43Å; E490-R493 PolarHBondContact O-N 3.48Å; D491-R493 PolarHBondContact O-N 2.86Å; R493-Q497 WeakPolarHBondContact O-CB 3.5Å; R493-Q497 VanDerWaalsContact O-CG 3.25Å; R493-Q497 WeakPolarHBondContact O-CG 3.4Å; R493-Q497 PolarHBondContact O-N 3.2Å; R493-Q497 VanDerWaalsContact O-N 3.12Å |
| 494 | K | 89.6 | Confident | 91 | Very high | 81 Ų | 81 | 108.7 Ų | 108.7 | 35% | 0.352 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71.6 | -42.2 | 173.1 | -66.1 | 165 | -160.4 | 159.3 | 0 | 111.5 | E490 D491 K492 Q497 Q498 | E490-K494 WeakPolarHBondContact O-CG 3.49Å; E490-K494 PolarHBondContact O-N 2.94Å; E490-K494 VanDerWaalsContact O-N 3.1Å; E490-K494 WeakPolarHBondContact OE1-CE 3.41Å; E490-K494 IonicContact OE1-NZ 3.38Å; E490-K494 PolarHBondContact OE1-NZ 2.86Å; D491-K494 WeakPolarHBondContact O-CB 3.35Å; D491-K494 PolarHBondContact O-N 3.01Å; D491-K494 VanDerWaalsContact O-N 3.15Å; D491-K494 IonicContact OD1-NZ 3.75Å; D491-K494 PolarHBondContact OD1-NZ 3.17Å; K492-K494 VanDerWaalsContact C-N 3.28Å; K492-K494 PolarHBondContact O-N 2.98Å; K494-Q497 PolarHBondContact O-N 3.42Å; K494-Q498 WeakPolarHBondContact O-CG 3.38Å; K494-Q498 PolarHBondContact O-N 2.8Å |
| 495 | E | 89.3 | Confident | 91 | Very high | 131 Ų | 131 | 109 Ų | 109 | 61% | 0.612 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.3 | -47.2 | 175.7 | -172.7 | 173.1 | -157.5 | 0 | 0 | 111.1 | D491 K492 Q497 Q498 Q499 | D491-E495 PolarHBondContact O-N 3.29Å; K492-E495 PolarHBondContact O-N 3.32Å; E495-Q497 VanDerWaalsContact C-N 3.34Å; E495-Q497 PolarHBondContact O-N 2.89Å; E495-Q498 PolarHBondContact O-N 2.66Å; E495-Q499 WeakPolarHBondContact O-CB 3.42Å; E495-Q499 PolarHBondContact O-N 2.78Å |
| 496 | E | 90.8 | Very high | 90.9 | Very high | 88 Ų | 88 | 108.1 Ų | 108.1 | 41% | 0.411 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.5 | -43.4 | 173.5 | -73 | 171 | 178.5 | 0 | 0 | 112.3 | K492 Q499 V500 | K492-E496 IonicContact NZ-OE1 3.87Å; K492-E496 PolarHBondContact NZ-OE1 3.16Å; K492-E496 WeakPolarHBondContact O-CG 3.32Å; K492-E496 PolarHBondContact O-N 2.81Å; E496-Q499 PolarHBondContact O-N 2.94Å; E496-V500 WeakPolarHBondContact O-CG2 3.35Å; E496-V500 PolarHBondContact O-N 3.48Å |
| 497 | Q | 88.8 | Confident | 90.9 | Very high | 124 Ų | 124 | 108.3 Ų | 108.3 | 58% | 0.579 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.3 | -39.5 | 176.1 | -76.8 | 174.5 | 34.9 | 0 | 0 | 113.1 | R493 K494 E495 Q501 | R493-Q497 WeakPolarHBondContact O-CB 3.5Å; R493-Q497 VanDerWaalsContact O-CG 3.25Å; R493-Q497 WeakPolarHBondContact O-CG 3.4Å; R493-Q497 PolarHBondContact O-N 3.2Å; R493-Q497 VanDerWaalsContact O-N 3.12Å; K494-Q497 PolarHBondContact O-N 3.42Å; E495-Q497 VanDerWaalsContact C-N 3.34Å; E495-Q497 PolarHBondContact O-N 2.89Å; Q497-Q501 WeakPolarHBondContact O-CG 3.18Å; Q497-Q501 PolarHBondContact O-N 3.46Å |
| 498 | Q | 90.4 | Very high | 90.9 | Very high | 123 Ų | 123 | 110 Ų | 110 | 58% | 0.575 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.6 | -41.2 | 174.6 | -72.3 | 178 | 24.9 | 0 | 0 | 111.1 | K494 E495 V500 Q501 I502 | K494-Q498 WeakPolarHBondContact O-CG 3.38Å; K494-Q498 PolarHBondContact O-N 2.8Å; E495-Q498 PolarHBondContact O-N 2.66Å; Q498-V500 PolarHBondContact O-N 3.22Å; Q498-Q501 PolarHBondContact O-N 2.8Å; Q498-I502 VanDerWaalsContact O-CG1 3.3Å; Q498-I502 WeakPolarHBondContact O-CG1 3.37Å; Q498-I502 PolarHBondContact O-N 2.99Å |
| 499 | Q | 88.7 | Confident | 91 | Very high | 131 Ų | 131 | 107.4 Ų | 107.4 | 61% | 0.612 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.1 | -41.2 | 178.1 | -167 | 166.2 | 9.5 | 0 | 0 | 111.8 | E495 E496 I502 E503 | E495-Q499 WeakPolarHBondContact O-CB 3.42Å; E495-Q499 PolarHBondContact O-N 2.78Å; E496-Q499 PolarHBondContact O-N 2.94Å; Q499-I502 PolarHBondContact O-N 2.86Å; Q499-E503 WeakPolarHBondContact O-CB 3.46Å; Q499-E503 PolarHBondContact O-N 2.84Å |
| 500 | V | 93.2 | Very high | 91 | Very high | 95 Ų | 95 | 109.8 Ų | 109.8 | 58% | 0.576 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.5 | -38.5 | 172.9 | 170.1 | 0 | 0 | 0 | 0 | 112.2 | E496 Q498 E503 A504 | E496-V500 WeakPolarHBondContact O-CG2 3.35Å; E496-V500 PolarHBondContact O-N 3.48Å; Q498-V500 PolarHBondContact O-N 3.22Å; V500-E503 PolarHBondContact O-N 3.39Å; V500-A504 WeakPolarHBondContact O-CB 3.31Å; V500-A504 PolarHBondContact O-N 2.96Å |
| 501 | Q | 91.1 | Very high | 91.1 | Very high | 133 Ų | 133 | 108.6 Ų | 108.6 | 62% | 0.621 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.9 | -45.8 | 174.4 | -74.4 | 178.6 | 36.9 | 0 | 0 | 111.8 | Q497 Q498 E503 A504 E505 | Q497-Q501 WeakPolarHBondContact O-CG 3.18Å; Q497-Q501 PolarHBondContact O-N 3.46Å; Q498-Q501 PolarHBondContact O-N 2.8Å; Q501-E503 VanDerWaalsContact C-N 3.31Å; Q501-E503 PolarHBondContact O-N 3.06Å; Q501-A504 PolarHBondContact O-N 2.92Å; Q501-E505 WeakPolarHBondContact O-CB 3.45Å; Q501-E505 PolarHBondContact O-N 3.11Å |
| 502 | I | 90.2 | Very high | 91.2 | Very high | 80 Ų | 80 | 111.1 Ų | 111.1 | 41% | 0.41 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.6 | -36.7 | 177.4 | -69 | 164.7 | 0 | 0 | 0 | 111.2 | Q498 Q499 K506 | Q498-I502 VanDerWaalsContact O-CG1 3.3Å; Q498-I502 WeakPolarHBondContact O-CG1 3.37Å; Q498-I502 PolarHBondContact O-N 2.99Å; Q499-I502 PolarHBondContact O-N 2.86Å; I502-K506 HydrophobicContact CG2-CD 4.02Å; I502-K506 VanDerWaalsContact CG2-NZ 3.33Å; I502-K506 WeakPolarHBondContact O-CB 3.47Å; I502-K506 WeakPolarHBondContact O-CD 3.39Å; I502-K506 WeakPolarHBondContact O-CG 3.47Å; I502-K506 PolarHBondContact O-N 2.79Å |
| 503 | E | 88.6 | Confident | 91.1 | Very high | 133 Ų | 133 | 108.8 Ų | 108.8 | 62% | 0.621 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70 | -43.9 | 175.1 | -176.8 | 151.6 | -133.7 | 0 | 0 | 112.1 | Q499 V500 Q501 E505 K506 E507 | Q499-E503 WeakPolarHBondContact O-CB 3.46Å; Q499-E503 PolarHBondContact O-N 2.84Å; V500-E503 PolarHBondContact O-N 3.39Å; Q501-E503 VanDerWaalsContact C-N 3.31Å; Q501-E503 PolarHBondContact O-N 3.06Å; E503-E505 VanDerWaalsContact C-N 3.33Å; E503-E505 PolarHBondContact O-N 3.03Å; E503-K506 CarbonylContact O-C 3.58Å; E503-K506 PolarHBondContact O-N 2.87Å; E503-E507 PolarHBondContact O-N 3.12Å |
| 504 | A | 93.9 | Very high | 91 | Very high | 34 Ų | 34 | 109.4 Ų | 109.4 | 28% | 0.281 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.6 | -33.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V500 Q501 K508 | V500-A504 WeakPolarHBondContact O-CB 3.31Å; V500-A504 PolarHBondContact O-N 2.96Å; Q501-A504 PolarHBondContact O-N 2.92Å; A504-K508 VanDerWaalsContact O-CG 3.26Å; A504-K508 WeakPolarHBondContact O-CG 3.37Å; A504-K508 PolarHBondContact O-N 2.88Å |
| 505 | E | 91.4 | Very high | 91.2 | Very high | 137 Ų | 137 | 109.9 Ų | 109.9 | 64% | 0.64 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.1 | -46.2 | 171.4 | -173 | 178.7 | -166.9 | 0 | 0 | 111.3 | Q501 E503 E507 K508 A509 | Q501-E505 WeakPolarHBondContact O-CB 3.45Å; Q501-E505 PolarHBondContact O-N 3.11Å; E503-E505 VanDerWaalsContact C-N 3.33Å; E503-E505 PolarHBondContact O-N 3.03Å; E505-E507 VanDerWaalsContact C-N 3.28Å; E505-E507 PolarHBondContact O-N 3.33Å; E505-K508 PolarHBondContact O-N 3.43Å; E505-A509 WeakPolarHBondContact O-CB 3.48Å; E505-A509 PolarHBondContact O-N 3.23Å |
| 506 | K | 91 | Very high | 91.4 | Very high | 124 Ų | 124 | 107.3 Ų | 107.3 | 54% | 0.539 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.4 | -32.6 | 174.2 | -74.5 | 167.5 | -177.2 | 170.1 | 0 | 112.6 | I502 E503 K510 | I502-K506 HydrophobicContact CG2-CD 4.02Å; I502-K506 VanDerWaalsContact CG2-NZ 3.33Å; I502-K506 WeakPolarHBondContact O-CB 3.47Å; I502-K506 WeakPolarHBondContact O-CD 3.39Å; I502-K506 WeakPolarHBondContact O-CG 3.47Å; I502-K506 PolarHBondContact O-N 2.79Å; E503-K506 CarbonylContact O-C 3.58Å; E503-K506 PolarHBondContact O-N 2.87Å; K506-K510 WeakPolarHBondContact O-CB 3.3Å; K506-K510 WeakPolarHBondContact O-CD 3.32Å; K506-K510 WeakPolarHBondContact O-CG 3.4Å; K506-K510 PolarHBondContact O-N 2.87Å; K506-K510 VanDerWaalsContact O-N 3.13Å |
| 507 | E | 91.8 | Very high | 91.5 | Very high | 123 Ų | 123 | 105.5 Ų | 105.5 | 58% | 0.575 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.2 | -50.9 | 172.9 | -171.1 | -177.3 | -168.3 | 0 | 0 | 110.9 | E503 E505 A509 K510 V511 | E503-E507 PolarHBondContact O-N 3.12Å; E505-E507 VanDerWaalsContact C-N 3.28Å; E505-E507 PolarHBondContact O-N 3.33Å; E507-A509 VanDerWaalsContact C-N 3.3Å; E507-A509 PolarHBondContact O-N 3.43Å; E507-K510 CarbonylContact O-C 3.55Å; E507-K510 WeakPolarHBondContact O-CA 3.42Å; E507-K510 WeakPolarHBondContact O-CB 3.45Å; E507-K510 PolarHBondContact O-N 3.47Å; E507-V511 HydrophobicContact CG-CG2 4.4Å; E507-V511 WeakPolarHBondContact O-CG2 3.41Å; E507-V511 PolarHBondContact O-N 3.26Å |
| 508 | K | 92.6 | Very high | 91.8 | Very high | 152 Ų | 152 | 104.8 Ų | 104.8 | 66% | 0.661 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -54.5 | -45.6 | 176.5 | -73.8 | 167.6 | -176.4 | 176.6 | 0 | 111.8 | A504 E505 K510 V511 Q512 | A504-K508 VanDerWaalsContact O-CG 3.26Å; A504-K508 WeakPolarHBondContact O-CG 3.37Å; A504-K508 PolarHBondContact O-N 2.88Å; E505-K508 PolarHBondContact O-N 3.43Å; K508-K510 PolarHBondContact O-N 2.99Å; K508-V511 PolarHBondContact O-N 2.94Å; K508-Q512 WeakPolarHBondContact O-CB 3.47Å; K508-Q512 PolarHBondContact O-N 3.27Å |
| 509 | A | 92.6 | Very high | 91.9 | Very high | 59 Ų | 59 | 105.8 Ų | 105.8 | 49% | 0.488 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E505 E507 A513 | E505-A509 WeakPolarHBondContact O-CB 3.48Å; E505-A509 PolarHBondContact O-N 3.23Å; E507-A509 VanDerWaalsContact C-N 3.3Å; E507-A509 PolarHBondContact O-N 3.43Å; A509-A513 VanDerWaalsContact O-CB 3.28Å; A509-A513 WeakPolarHBondContact O-CB 3.3Å; A509-A513 PolarHBondContact O-N 2.88Å |
| 510 | K | 92.1 | Very high | 92.2 | Very high | 134 Ų | 134 | 104.9 Ų | 104.9 | 58% | 0.583 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.2 | -33.2 | 174.2 | -72.2 | 163.6 | -173 | 171.1 | 0 | 113 | K506 E507 K508 K514 | K506-K510 WeakPolarHBondContact O-CB 3.3Å; K506-K510 WeakPolarHBondContact O-CD 3.32Å; K506-K510 WeakPolarHBondContact O-CG 3.4Å; K506-K510 PolarHBondContact O-N 2.87Å; K506-K510 VanDerWaalsContact O-N 3.13Å; E507-K510 CarbonylContact O-C 3.55Å; E507-K510 WeakPolarHBondContact O-CA 3.42Å; E507-K510 WeakPolarHBondContact O-CB 3.45Å; E507-K510 PolarHBondContact O-N 3.47Å; K508-K510 PolarHBondContact O-N 2.99Å; K510-K514 VanDerWaalsContact O-CG 3.3Å; K510-K514 WeakPolarHBondContact O-CG 3.37Å; K510-K514 PolarHBondContact O-N 3.45Å |
| 511 | V | 93.8 | Very high | 92.2 | Very high | 79 Ų | 79 | 108.1 Ų | 108.1 | 48% | 0.479 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -71.6 | -48.6 | 175.9 | 172.3 | 0 | 0 | 0 | 0 | 109.9 | E507 K508 A513 K514 E515 | E507-V511 HydrophobicContact CG-CG2 4.4Å; E507-V511 WeakPolarHBondContact O-CG2 3.41Å; E507-V511 PolarHBondContact O-N 3.26Å; K508-V511 PolarHBondContact O-N 2.94Å; V511-A513 PolarHBondContact O-N 3.49Å; V511-K514 WeakPolarHBondContact O-CB 3.41Å; V511-K514 PolarHBondContact O-N 3.39Å; V511-E515 PolarHBondContact O-N 3.37Å |
| 512 | Q | 90.9 | Very high | 92.4 | Very high | 120 Ų | 120 | 105.8 Ų | 105.8 | 56% | 0.561 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.5 | -45.8 | 177.6 | -172.9 | 173.5 | -5.1 | 0 | 0 | 111.8 | K508 K514 E515 D516 | K508-Q512 WeakPolarHBondContact O-CB 3.47Å; K508-Q512 PolarHBondContact O-N 3.27Å; Q512-K514 PolarHBondContact O-N 2.88Å; Q512-E515 WeakPolarHBondContact O-CB 3.41Å; Q512-E515 PolarHBondContact O-N 3.18Å; Q512-D516 PolarHBondContact O-N 3.43Å |
| 513 | A | 92.8 | Very high | 92.6 | Very high | 65 Ų | 65 | 103.7 Ų | 103.7 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.7 | -25.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A509 V511 A517 | A509-A513 VanDerWaalsContact O-CB 3.28Å; A509-A513 WeakPolarHBondContact O-CB 3.3Å; A509-A513 PolarHBondContact O-N 2.88Å; V511-A513 PolarHBondContact O-N 3.49Å; A513-A517 WeakPolarHBondContact O-CB 3.19Å; A513-A517 PolarHBondContact O-N 2.93Å |
| 514 | K | 88 | Confident | 92.8 | Very high | 152 Ų | 152 | 104 Ų | 104 | 66% | 0.661 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -76.4 | -41.9 | 170.4 | -74.3 | 169.9 | 179.7 | 179.8 | 0 | 111.5 | K510 V511 Q512 A517 E518 | K510-K514 VanDerWaalsContact O-CG 3.3Å; K510-K514 WeakPolarHBondContact O-CG 3.37Å; K510-K514 PolarHBondContact O-N 3.45Å; V511-K514 WeakPolarHBondContact O-CB 3.41Å; V511-K514 PolarHBondContact O-N 3.39Å; Q512-K514 PolarHBondContact O-N 2.88Å; K514-A517 PolarHBondContact O-N 3.26Å; K514-E518 PolarHBondContact O-N 2.67Å |
| 515 | E | 94.2 | Very high | 92.9 | Very high | 90 Ų | 90 | 107.8 Ų | 107.8 | 42% | 0.421 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 177.5 | -164.2 | -168.3 | 150.1 | 0 | 0 | 111.1 | V511 Q512 A517 E518 R519 | V511-E515 PolarHBondContact O-N 3.37Å; Q512-E515 WeakPolarHBondContact O-CB 3.41Å; Q512-E515 PolarHBondContact O-N 3.18Å; E515-A517 VanDerWaalsContact C-N 3.31Å; E515-A517 PolarHBondContact O-N 2.67Å; E515-E518 CarbonylContact O-C 3.59Å; E515-E518 PolarHBondContact O-N 3.4Å; E515-E518 VanDerWaalsContact O-N 3.08Å; E515-R519 WeakPolarHBondContact O-CG 3.4Å; E515-R519 PolarHBondContact O-N 3.49Å; E515-R519 IonicContact OE1-CZ 2.66Å; E515-R519 IonicContact OE1-NE 2.84Å; E515-R519 PolarHBondContact OE1-NE 2.9Å; E515-R519 IonicContact OE1-NH2 2.84Å; E515-R519 PolarHBondContact OE1-NH2 3.16Å |
| 516 | D | 92.5 | Very high | 93.1 | Very high | 77 Ų | 77 | 106.6 Ų | 106.6 | 41% | 0.412 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.3 | -36.7 | 176.2 | -71.2 | -39.1 | 0 | 0 | 0 | 112.1 | Q512 E518 Q520 | Q512-D516 PolarHBondContact O-N 3.43Å; D516-E518 VanDerWaalsContact C-N 3.35Å; D516-Q520 WeakPolarHBondContact O-CB 3.47Å; D516-Q520 PolarHBondContact O-N 2.92Å |
| 517 | A | 93.3 | Very high | 93.3 | Very high | 50 Ų | 50 | 107 Ų | 107 | 41% | 0.413 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.6 | -31.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | A513 K514 E515 R521 | A513-A517 WeakPolarHBondContact O-CB 3.19Å; A513-A517 PolarHBondContact O-N 2.93Å; K514-A517 PolarHBondContact O-N 3.26Å; E515-A517 VanDerWaalsContact C-N 3.31Å; E515-A517 PolarHBondContact O-N 2.67Å; A517-R521 WeakPolarHBondContact O-CG 3.31Å; A517-R521 PolarHBondContact O-N 2.9Å |
| 518 | E | 94.3 | Very high | 93.4 | Very high | 109 Ų | 109 | 105.3 Ų | 105.3 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -74.1 | -45.3 | 173.3 | -166.6 | -179.2 | 149 | 0 | 0 | 111.5 | K514 E515 D516 Q520 R521 Q522 | K514-E518 PolarHBondContact O-N 2.67Å; E515-E518 CarbonylContact O-C 3.59Å; E515-E518 PolarHBondContact O-N 3.4Å; E515-E518 VanDerWaalsContact O-N 3.08Å; D516-E518 VanDerWaalsContact C-N 3.35Å; E518-Q520 PolarHBondContact O-N 2.93Å; E518-R521 CarbonylContact O-C 3.6Å; E518-R521 WeakPolarHBondContact O-CA 3.38Å; E518-R521 WeakPolarHBondContact O-CB 3.48Å; E518-R521 PolarHBondContact O-N 3.29Å; E518-Q522 WeakPolarHBondContact O-CG 3.32Å; E518-Q522 PolarHBondContact O-N 3.33Å; E518-Q522 PolarHBondContact OE1-NE2 2.87Å; E518-Q522 VanDerWaalsContact OE1-NE2 3.1Å |
| 519 | R | 93.7 | Very high | 93.6 | Very high | 145 Ų | 145 | 103 Ų | 103 | 55% | 0.547 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -53.5 | -41.4 | 171.2 | -69.8 | 170 | 176.9 | -146.9 | 3.1 | 111.1 | E515 R521 Q522 G523 | E515-R519 WeakPolarHBondContact O-CG 3.4Å; E515-R519 PolarHBondContact O-N 3.49Å; E515-R519 IonicContact OE1-CZ 2.66Å; E515-R519 IonicContact OE1-NE 2.84Å; E515-R519 PolarHBondContact OE1-NE 2.9Å; E515-R519 IonicContact OE1-NH2 2.84Å; E515-R519 PolarHBondContact OE1-NH2 3.16Å; R519-R521 PolarHBondContact O-N 3.18Å; R519-Q522 PolarHBondContact O-N 3.46Å; R519-G523 PolarHBondContact O-N 3.28Å |
| 520 | Q | 93.8 | Very high | 93.8 | Very high | 111 Ų | 111 | 106.6 Ų | 106.6 | 52% | 0.519 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67 | -31.4 | 174.6 | -164.9 | -173.9 | 81.1 | 0 | 0 | 113.3 | D516 E518 R524 | D516-Q520 WeakPolarHBondContact O-CB 3.47Å; D516-Q520 PolarHBondContact O-N 2.92Å; E518-Q520 PolarHBondContact O-N 2.93Å; Q520-R524 VanDerWaalsContact CD-NH2 3.31Å; Q520-R524 WeakPolarHBondContact O-CG 3.38Å; Q520-R524 PolarHBondContact O-N 2.85Å |
| 521 | R | 93.9 | Very high | 93.9 | Very high | 164 Ų | 164 | 106.1 Ų | 106.1 | 62% | 0.619 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.7 | -48.8 | 171.3 | -73.2 | 170.9 | 173.7 | -120.2 | 1.4 | 111 | A517 E518 R519 G523 R524 E525 | A517-R521 WeakPolarHBondContact O-CG 3.31Å; A517-R521 PolarHBondContact O-N 2.9Å; E518-R521 CarbonylContact O-C 3.6Å; E518-R521 WeakPolarHBondContact O-CA 3.38Å; E518-R521 WeakPolarHBondContact O-CB 3.48Å; E518-R521 PolarHBondContact O-N 3.29Å; R519-R521 PolarHBondContact O-N 3.18Å; R521-G523 VanDerWaalsContact C-N 3.3Å; R521-G523 PolarHBondContact O-N 2.94Å; R521-R524 PolarHBondContact O-N 3.5Å; R521-R524 VanDerWaalsContact O-N 3.17Å; R521-E525 PolarHBondContact O-N 3.48Å |
| 522 | Q | 94.2 | Very high | 94 | Very high | 84 Ų | 84 | 108 Ų | 108 | 39% | 0.393 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59 | -40.6 | 178.4 | -65.7 | 176.4 | 11.2 | 0 | 0 | 111.6 | E518 R519 E525 Q526 | E518-Q522 WeakPolarHBondContact O-CG 3.32Å; E518-Q522 PolarHBondContact O-N 3.33Å; E518-Q522 PolarHBondContact OE1-NE2 2.87Å; E518-Q522 VanDerWaalsContact OE1-NE2 3.1Å; R519-Q522 PolarHBondContact O-N 3.46Å; Q522-E525 PolarHBondContact O-N 3.29Å; Q522-Q526 WeakPolarHBondContact O-CG 3.5Å; Q522-Q526 PolarHBondContact O-N 2.91Å |
| 523 | G | 95.4 | Very high | 94.2 | Very high | 36 Ų | 36 | 108.5 Ų | 108.5 | 37% | 0.371 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R519 R521 E525 Q527 | R519-G523 PolarHBondContact O-N 3.28Å; R521-G523 VanDerWaalsContact C-N 3.3Å; R521-G523 PolarHBondContact O-N 2.94Å; G523-E525 VanDerWaalsContact C-N 3.34Å; G523-Q527 WeakPolarHBondContact O-CB 3.19Å; G523-Q527 PolarHBondContact O-N 3.28Å |
| 524 | R | 93.6 | Very high | 94.3 | Very high | 138 Ų | 138 | 111 Ų | 111 | 52% | 0.521 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.8 | -39.4 | 172.7 | -71.9 | 177.6 | -177.8 | 119.9 | 4 | 112 | Q520 R521 Q527 T528 | Q520-R524 VanDerWaalsContact CD-NH2 3.31Å; Q520-R524 WeakPolarHBondContact O-CG 3.38Å; Q520-R524 PolarHBondContact O-N 2.85Å; R521-R524 PolarHBondContact O-N 3.5Å; R521-R524 VanDerWaalsContact O-N 3.17Å; R524-Q527 PolarHBondContact O-N 2.92Å; R524-T528 WeakPolarHBondContact O-CB 3.37Å; R524-T528 PolarHBondContact O-N 3.43Å; R524-T528 PolarHBondContact O-OG1 3.26Å |
| 525 | E | 95 | Very high | 94.7 | Very high | 114 Ų | 114 | 112.5 Ų | 112.5 | 53% | 0.533 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.3 | -46.4 | 178.6 | -167.9 | 179.6 | 162.4 | 0 | 0 | 111.4 | R521 Q522 G523 Q527 T528 Q529 | R521-E525 PolarHBondContact O-N 3.48Å; Q522-E525 PolarHBondContact O-N 3.29Å; G523-E525 VanDerWaalsContact C-N 3.34Å; E525-Q527 PolarHBondContact O-N 3.41Å; E525-T528 WeakPolarHBondContact O-CB 3.39Å; E525-T528 PolarHBondContact O-N 2.86Å; E525-T528 VanDerWaalsContact O-N 3.15Å; E525-Q529 WeakPolarHBondContact O-CG 3.22Å; E525-Q529 PolarHBondContact O-N 3.46Å; E525-Q529 PolarHBondContact OE1-NE2 3.3Å |
| 526 | Q | 96.2 | Very high | 94.8 | Very high | 112 Ų | 112 | 112.6 Ų | 112.6 | 52% | 0.523 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 174.1 | -71.3 | 174.7 | 26.4 | 0 | 0 | 112.1 | Q522 T528 Q529 Q530 | Q522-Q526 WeakPolarHBondContact O-CG 3.5Å; Q522-Q526 PolarHBondContact O-N 2.91Å; Q526-T528 VanDerWaalsContact C-N 3.33Å; Q526-T528 PolarHBondContact O-N 2.9Å; Q526-Q529 PolarHBondContact O-N 2.94Å; Q526-Q530 WeakPolarHBondContact O-CG 3.42Å; Q526-Q530 PolarHBondContact O-N 3.09Å |
| 527 | Q | 94.8 | Very high | 95 | Very high | 133 Ų | 133 | 114.2 Ų | 114.2 | 62% | 0.621 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.1 | -41.2 | 173.8 | -173.1 | 178.7 | 6.8 | 0 | 0 | 111.9 | G523 R524 E525 Q530 E531 | G523-Q527 WeakPolarHBondContact O-CB 3.19Å; G523-Q527 PolarHBondContact O-N 3.28Å; R524-Q527 PolarHBondContact O-N 2.92Å; E525-Q527 PolarHBondContact O-N 3.41Å; Q527-Q530 PolarHBondContact O-N 3.46Å; Q527-E531 PolarHBondContact O-N 2.93Å |
| 528 | T | 94.7 | Very high | 95.1 | Very high | 87 Ų | 87 | 119.6 Ų | 119.6 | 53% | 0.534 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | 176.7 | -49.9 | 0 | 0 | 0 | 0 | 111.6 | R524 E525 Q526 E531 E532 | R524-T528 WeakPolarHBondContact O-CB 3.37Å; R524-T528 PolarHBondContact O-N 3.43Å; R524-T528 PolarHBondContact O-OG1 3.26Å; E525-T528 WeakPolarHBondContact O-CB 3.39Å; E525-T528 PolarHBondContact O-N 2.86Å; E525-T528 VanDerWaalsContact O-N 3.15Å; Q526-T528 VanDerWaalsContact C-N 3.33Å; Q526-T528 PolarHBondContact O-N 2.9Å; T528-E531 PolarHBondContact O-N 2.91Å; T528-E532 PolarHBondContact O-N 3.36Å |
| 529 | Q | 96 | Very high | 95.2 | Very high | 104 Ų | 104 | 121.2 Ų | 121.2 | 49% | 0.486 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 175.9 | -69.9 | 172.3 | 13.3 | 0 | 0 | 111.5 | E525 Q526 E532 E533 | E525-Q529 WeakPolarHBondContact O-CG 3.22Å; E525-Q529 PolarHBondContact O-N 3.46Å; E525-Q529 PolarHBondContact OE1-NE2 3.3Å; Q526-Q529 PolarHBondContact O-N 2.94Å; Q529-E532 PolarHBondContact O-N 2.93Å; Q529-E533 PolarHBondContact O-N 2.92Å |
| 530 | Q | 95.9 | Very high | 95.3 | Very high | 135 Ų | 135 | 120.1 Ų | 120.1 | 63% | 0.631 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.3 | -41.3 | 174.2 | -72.7 | 178.9 | 1.1 | 0 | 0 | 112.4 | Q526 Q527 E532 E533 E534 | Q526-Q530 WeakPolarHBondContact O-CG 3.42Å; Q526-Q530 PolarHBondContact O-N 3.09Å; Q527-Q530 PolarHBondContact O-N 3.46Å; Q530-E532 VanDerWaalsContact C-N 3.34Å; Q530-E532 PolarHBondContact O-N 3.37Å; Q530-E533 PolarHBondContact O-N 3.34Å; Q530-E534 PolarHBondContact O-N 2.68Å |
| 531 | E | 95.3 | Very high | 95.5 | Very high | 124 Ų | 124 | 123.1 Ų | 123.1 | 58% | 0.579 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.3 | -41.3 | 173.8 | -168.1 | -170.6 | 147.1 | 0 | 0 | 111.1 | Q527 T528 E534 R535 | Q527-E531 PolarHBondContact O-N 2.93Å; T528-E531 PolarHBondContact O-N 2.91Å; E531-E534 PolarHBondContact O-N 3.47Å; E531-R535 WeakPolarHBondContact O-CB 3.47Å; E531-R535 PolarHBondContact O-N 2.89Å |
| 532 | E | 95.1 | Very high | 95.5 | Very high | 118 Ų | 118 | 119.3 Ų | 119.3 | 55% | 0.551 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.5 | -39.7 | 176.4 | -173.3 | 167.9 | -172.6 | 0 | 0 | 112.4 | T528 Q529 Q530 R535 Q536 | T528-E532 PolarHBondContact O-N 3.36Å; Q529-E532 PolarHBondContact O-N 2.93Å; Q530-E532 VanDerWaalsContact C-N 3.34Å; Q530-E532 PolarHBondContact O-N 3.37Å; E532-R535 PolarHBondContact O-N 3.28Å; E532-Q536 WeakPolarHBondContact O-CG 3.38Å; E532-Q536 PolarHBondContact O-N 2.88Å |
| 533 | E | 95.2 | Very high | 95.5 | Very high | 131 Ų | 131 | 119.5 Ų | 119.5 | 61% | 0.612 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.4 | -44.7 | 173.3 | -74 | -168.8 | 167.7 | 0 | 0 | 112.1 | Q529 Q530 R535 Q536 L537 | Q529-E533 PolarHBondContact O-N 2.92Å; Q530-E533 PolarHBondContact O-N 3.34Å; E533-R535 VanDerWaalsContact C-N 3.31Å; E533-R535 PolarHBondContact O-N 2.92Å; E533-Q536 PolarHBondContact O-N 3.47Å; E533-L537 WeakPolarHBondContact O-CG 3.37Å; E533-L537 PolarHBondContact O-N 3.45Å |
| 534 | E | 95.9 | Very high | 95.4 | Very high | 117 Ų | 117 | 124 Ų | 124 | 55% | 0.547 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.9 | -42.6 | 173.4 | -162.3 | -147.1 | 120.8 | 0 | 0 | 110.6 | Q530 E531 Q536 L537 R538 | Q530-E534 PolarHBondContact O-N 2.68Å; E531-E534 PolarHBondContact O-N 3.47Å; E534-Q536 VanDerWaalsContact C-N 3.29Å; E534-Q536 PolarHBondContact O-N 3.19Å; E534-L537 PolarHBondContact O-N 3.33Å; E534-L537 VanDerWaalsContact O-N 3.16Å; E534-R538 WeakPolarHBondContact O-CB 3.39Å; E534-R538 PolarHBondContact O-N 3.36Å |
| 535 | R | 95.6 | Very high | 95.4 | Very high | 183 Ų | 183 | 120.5 Ų | 120.5 | 69% | 0.691 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.3 | -34.7 | 177.3 | -164.1 | 171.8 | -166 | -104.8 | 3.2 | 111.8 | E531 E532 E533 K539 | E531-R535 WeakPolarHBondContact O-CB 3.47Å; E531-R535 PolarHBondContact O-N 2.89Å; E532-R535 PolarHBondContact O-N 3.28Å; E533-R535 VanDerWaalsContact C-N 3.31Å; E533-R535 PolarHBondContact O-N 2.92Å; R535-K539 VanDerWaalsContact O-CB 3.24Å; R535-K539 WeakPolarHBondContact O-CB 3.45Å; R535-K539 PolarHBondContact O-N 2.98Å |
| 536 | Q | 96.3 | Very high | 95.1 | Very high | 92 Ų | 92 | 118.6 Ų | 118.6 | 43% | 0.43 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.4 | -42.6 | 171 | -73.8 | -173.3 | 42.5 | 0 | 0 | 112.6 | E532 E533 E534 K539 K540 | E532-Q536 WeakPolarHBondContact O-CG 3.38Å; E532-Q536 PolarHBondContact O-N 2.88Å; E533-Q536 PolarHBondContact O-N 3.47Å; E534-Q536 VanDerWaalsContact C-N 3.29Å; E534-Q536 PolarHBondContact O-N 3.19Å; Q536-K539 PolarHBondContact O-N 2.94Å; Q536-K540 VanDerWaalsContact O-CG 3.29Å; Q536-K540 WeakPolarHBondContact O-CG 3.37Å; Q536-K540 PolarHBondContact O-N 3.3Å |
| 537 | L | 96.4 | Very high | 95 | Very high | 112 Ų | 112 | 119 Ų | 119 | 59% | 0.586 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.2 | -43.8 | 175.7 | -71.6 | 170.6 | 0 | 0 | 0 | 111.4 | E533 E534 K540 R541 | E533-L537 WeakPolarHBondContact O-CG 3.37Å; E533-L537 PolarHBondContact O-N 3.45Å; E534-L537 PolarHBondContact O-N 3.33Å; E534-L537 VanDerWaalsContact O-N 3.16Å; L537-K540 PolarHBondContact O-N 2.86Å; L537-R541 WeakPolarHBondContact O-CB 3.38Å; L537-R541 PolarHBondContact O-N 2.61Å |
| 538 | R | 95.5 | Very high | 94.7 | Very high | 162 Ų | 162 | 120.5 Ų | 120.5 | 61% | 0.611 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62 | -41.3 | 173.4 | -173.3 | 172.3 | 176.9 | 178 | -1.4 | 111.4 | E534 R541 I542 | E534-R538 WeakPolarHBondContact O-CB 3.39Å; E534-R538 PolarHBondContact O-N 3.36Å; R538-R541 PolarHBondContact O-N 3.03Å; R538-I542 HydrophobicContact CG-CD1 4.07Å; R538-I542 WeakPolarHBondContact O-CB 3.28Å; R538-I542 WeakPolarHBondContact O-CD1 3.19Å; R538-I542 VanDerWaalsContact O-CG1 3.23Å; R538-I542 WeakPolarHBondContact O-CG1 3.42Å; R538-I542 PolarHBondContact O-N 2.84Å |
| 539 | K | 96.8 | Very high | 94.1 | Very high | 143 Ų | 143 | 120.3 Ų | 120.3 | 62% | 0.622 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62 | -46.2 | 172.1 | -176.8 | -176.7 | 176.1 | -173.4 | 0 | 111.9 | R535 Q536 I542 E543 | R535-K539 VanDerWaalsContact O-CB 3.24Å; R535-K539 WeakPolarHBondContact O-CB 3.45Å; R535-K539 PolarHBondContact O-N 2.98Å; Q536-K539 PolarHBondContact O-N 2.94Å; K539-I542 PolarHBondContact O-N 3.44Å; K539-E543 WeakPolarHBondContact O-CB 3.46Å; K539-E543 PolarHBondContact O-N 3.21Å |
| 540 | K | 96.9 | Very high | 93.4 | Very high | 122 Ų | 122 | 123.9 Ų | 123.9 | 53% | 0.53 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 176.2 | -72.8 | 164.9 | -175.7 | 169.7 | 0 | 111.3 | Q536 L537 I542 E543 E544 | Q536-K540 VanDerWaalsContact O-CG 3.29Å; Q536-K540 WeakPolarHBondContact O-CG 3.37Å; Q536-K540 PolarHBondContact O-N 3.3Å; L537-K540 PolarHBondContact O-N 2.86Å; K540-I542 PolarHBondContact O-N 3.43Å; K540-E543 PolarHBondContact O-N 2.96Å; K540-E544 WeakPolarHBondContact O-CB 3.35Å; K540-E544 PolarHBondContact O-N 3.4Å |
| 541 | R | 96.4 | Very high | 91.8 | Very high | 175 Ų | 175 | 124 Ų | 124 | 66% | 0.66 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.1 | -39.4 | 176 | -170.6 | -178.8 | -178 | -161.5 | 1.2 | 112.3 | L537 R538 I545 | L537-R541 WeakPolarHBondContact O-CB 3.38Å; L537-R541 PolarHBondContact O-N 2.61Å; R538-R541 PolarHBondContact O-N 3.03Å; R541-I545 HydrophobicContact CG-CD1 4.15Å; R541-I545 WeakPolarHBondContact O-CB 3.33Å; R541-I545 WeakPolarHBondContact O-CD1 3.48Å; R541-I545 WeakPolarHBondContact O-CG1 3.46Å; R541-I545 PolarHBondContact O-N 2.79Å |
| 542 | I | 95.4 | Very high | 90 | Very high | 83 Ų | 83 | 121.2 Ų | 121.2 | 43% | 0.426 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.8 | -43.8 | 173.9 | -71.4 | 164.9 | 0 | 0 | 0 | 110.7 | R538 K539 K540 E544 I545 M546 | R538-I542 HydrophobicContact CG-CD1 4.07Å; R538-I542 WeakPolarHBondContact O-CB 3.28Å; R538-I542 WeakPolarHBondContact O-CD1 3.19Å; R538-I542 VanDerWaalsContact O-CG1 3.23Å; R538-I542 WeakPolarHBondContact O-CG1 3.42Å; R538-I542 PolarHBondContact O-N 2.84Å; K539-I542 PolarHBondContact O-N 3.44Å; K540-I542 PolarHBondContact O-N 3.43Å; I542-E544 VanDerWaalsContact C-N 3.34Å; I542-E544 PolarHBondContact O-N 3.19Å; I542-I545 PolarHBondContact O-N 3.06Å; I542-M546 HydrophobicContact CG2-CG 4.4Å; I542-M546 HydrophobicContact CG2-SD 3.79Å; I542-M546 WeakPolarHBondContact O-CB 3.45Å; I542-M546 VanDerWaalsContact O-CG 3.24Å; I542-M546 WeakPolarHBondContact O-CG 3.32Å; I542-M546 PolarHBondContact O-N 3Å |
| 543 | E | 93.6 | Very high | 88.1 | Confident | 88 Ų | 88 | 124 Ų | 124 | 41% | 0.411 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.9 | -38.3 | 177.3 | -167.1 | -172.5 | 137.9 | 0 | 0 | 112.1 | K539 K540 M546 K547 | K539-E543 WeakPolarHBondContact O-CB 3.46Å; K539-E543 PolarHBondContact O-N 3.21Å; K540-E543 PolarHBondContact O-N 2.96Å; E543-M546 PolarHBondContact O-N 2.82Å; E543-K547 HydrophobicContact CG-CD 4.36Å; E543-K547 WeakPolarHBondContact O-CB 3.42Å; E543-K547 VanDerWaalsContact O-CG 3.31Å; E543-K547 WeakPolarHBondContact O-CG 3.13Å; E543-K547 PolarHBondContact O-N 2.66Å; E543-K547 VanDerWaalsContact OE1-CE 3.29Å; E543-K547 WeakPolarHBondContact OE1-CE 3.39Å; E543-K547 IonicContact OE1-NZ 2.62Å; E543-K547 PolarHBondContact OE1-NZ 2.75Å |
| 544 | E | 93.5 | Very high | 86.2 | Confident | 131 Ų | 131 | 121.3 Ų | 121.3 | 61% | 0.612 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.1 | -47.9 | 171.7 | -179.1 | -175.2 | -165.1 | 0 | 0 | 111.6 | K540 I542 M546 K547 R548 | K540-E544 WeakPolarHBondContact O-CB 3.35Å; K540-E544 PolarHBondContact O-N 3.4Å; I542-E544 VanDerWaalsContact C-N 3.34Å; I542-E544 PolarHBondContact O-N 3.19Å; E544-M546 VanDerWaalsContact C-N 3.28Å; E544-M546 PolarHBondContact O-N 3.04Å; E544-K547 PolarHBondContact O-N 3.06Å; E544-K547 VanDerWaalsContact O-N 3.1Å; E544-R548 PolarHBondContact O-N 3.1Å |
| 545 | I | 92.4 | Very high | 84.1 | Confident | 64 Ų | 64 | 120.7 Ų | 120.7 | 33% | 0.328 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -58.3 | -41.5 | 174.4 | -72 | 165.2 | 0 | 0 | 0 | 110.8 | R541 I542 R548 T549 | R541-I545 HydrophobicContact CG-CD1 4.15Å; R541-I545 WeakPolarHBondContact O-CB 3.33Å; R541-I545 WeakPolarHBondContact O-CD1 3.48Å; R541-I545 WeakPolarHBondContact O-CG1 3.46Å; R541-I545 PolarHBondContact O-N 2.79Å; I542-I545 PolarHBondContact O-N 3.06Å; I545-R548 WeakPolarHBondContact O-CG 3.17Å; I545-T549 WeakPolarHBondContact O-CG2 3.45Å; I545-T549 PolarHBondContact O-N 3.48Å; I545-T549 PolarHBondContact O-OG1 3.22Å |
| 546 | M | 89.4 | Confident | 82 | Confident | 75 Ų | 75 | 119.6 Ų | 119.6 | 37% | 0.369 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -70.5 | -31.9 | 175.6 | -69.5 | 171.1 | 70.8 | 0 | 0 | 112.7 | I542 E543 E544 T549 R550 | I542-M546 HydrophobicContact CG2-CG 4.4Å; I542-M546 HydrophobicContact CG2-SD 3.79Å; I542-M546 WeakPolarHBondContact O-CB 3.45Å; I542-M546 VanDerWaalsContact O-CG 3.24Å; I542-M546 WeakPolarHBondContact O-CG 3.32Å; I542-M546 PolarHBondContact O-N 3Å; E543-M546 PolarHBondContact O-N 2.82Å; E544-M546 VanDerWaalsContact C-N 3.28Å; E544-M546 PolarHBondContact O-N 3.04Å; M546-T549 PolarHBondContact O-OG1 3.49Å; M546-R550 WeakPolarHBondContact O-CB 3.36Å; M546-R550 WeakPolarHBondContact O-CD 3.48Å; M546-R550 WeakPolarHBondContact O-CG 3.33Å; M546-R550 PolarHBondContact O-N 2.91Å |
| 547 | K | 93.5 | Very high | 79.9 | Confident | 119 Ų | 119 | 124.6 Ų | 124.6 | 52% | 0.517 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -71.2 | -43 | 176.5 | -83.4 | 168.8 | 172 | 169.8 | 0 | 111.8 | E543 E544 R550 K551 | E543-K547 HydrophobicContact CG-CD 4.36Å; E543-K547 WeakPolarHBondContact O-CB 3.42Å; E543-K547 VanDerWaalsContact O-CG 3.31Å; E543-K547 WeakPolarHBondContact O-CG 3.13Å; E543-K547 PolarHBondContact O-N 2.66Å; E543-K547 VanDerWaalsContact OE1-CE 3.29Å; E543-K547 WeakPolarHBondContact OE1-CE 3.39Å; E543-K547 IonicContact OE1-NZ 2.62Å; E543-K547 PolarHBondContact OE1-NZ 2.75Å; E544-K547 PolarHBondContact O-N 3.06Å; E544-K547 VanDerWaalsContact O-N 3.1Å; K547-R550 PolarHBondContact O-N 3.19Å; K547-K551 WeakPolarHBondContact O-CB 3.43Å; K547-K551 WeakPolarHBondContact O-CG 3.2Å; K547-K551 PolarHBondContact O-N 3.42Å; K547-K551 VanDerWaalsContact O-N 3.08Å |
| 548 | R | 88.8 | Confident | 77.7 | Confident | 166 Ų | 166 | 128.6 Ų | 128.6 | 63% | 0.626 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.1 | -42.1 | 175.6 | 67.6 | -177.6 | -168.9 | 175.3 | 8.2 | 112 | E544 I545 K551 S552 | E544-R548 PolarHBondContact O-N 3.1Å; I545-R548 WeakPolarHBondContact O-CG 3.17Å; R548-K551 PolarHBondContact O-N 2.83Å; R548-S552 PolarHBondContact O-N 3.42Å; R548-S552 PolarHBondContact O-OG 3.02Å |
| 549 | T | 82.8 | Confident | 75.1 | Confident | 83 Ų | 83 | 130 Ų | 130 | 51% | 0.509 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -76.8 | -19.2 | 179.7 | 58.2 | 0 | 0 | 0 | 0 | 114.3 | I545 M546 S552 | I545-T549 WeakPolarHBondContact O-CG2 3.45Å; I545-T549 PolarHBondContact O-N 3.48Å; I545-T549 PolarHBondContact O-OG1 3.22Å; M546-T549 PolarHBondContact O-OG1 3.49Å; T549-S552 PolarHBondContact O-OG 3.36Å |
| 550 | R | 81.2 | Confident | 72.8 | Confident | 178 Ų | 178 | 131.7 Ų | 131.7 | 67% | 0.672 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -85.7 | -21.9 | 170.7 | -73.2 | 171.1 | 175 | -175.6 | -4.8 | 113.8 | M546 K547 | M546-R550 WeakPolarHBondContact O-CB 3.36Å; M546-R550 WeakPolarHBondContact O-CD 3.48Å; M546-R550 WeakPolarHBondContact O-CG 3.33Å; M546-R550 PolarHBondContact O-N 2.91Å; K547-R550 PolarHBondContact O-N 3.19Å |
| 551 | K | 62.4 | Low | 70.1 | Confident | 138 Ų | 138 | 134.2 Ų | 134.2 | 60% | 0.6 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -81.1 | -34.7 | 174.8 | -79.9 | -171.9 | 168.5 | -157.6 | 0 | 113 | K547 R548 E553 A554 D555 | K547-K551 WeakPolarHBondContact O-CB 3.43Å; K547-K551 WeakPolarHBondContact O-CG 3.2Å; K547-K551 PolarHBondContact O-N 3.42Å; K547-K551 VanDerWaalsContact O-N 3.08Å; R548-K551 PolarHBondContact O-N 2.83Å; K551-E553 PolarHBondContact O-N 3.19Å; K551-A554 PolarHBondContact O-N 3.46Å; K551-D555 PolarHBondContact O-N 2.9Å; K551-D555 VanDerWaalsContact O-N 3.15Å |
| 552 | S | 57.3 | Low | 67.4 | Low | 66 Ų | 66 | 131.5 Ų | 131.5 | 46% | 0.462 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -56.8 | -25.5 | -180 | 45.3 | 0 | 0 | 0 | 0 | 114.3 | R548 T549 M556 | R548-S552 PolarHBondContact O-N 3.42Å; R548-S552 PolarHBondContact O-OG 3.02Å; T549-S552 PolarHBondContact O-OG 3.36Å; S552-M556 WeakPolarHBondContact O-CG 3.39Å |
| 553 | E | 54.5 | Low | 64.7 | Low | 177 Ų | 177 | 135.4 Ų | 135.4 | 83% | 0.827 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -79.7 | -20.8 | 175.8 | -165.9 | 170.9 | -153.6 | 0 | 0 | 113.4 | K551 | K551-E553 PolarHBondContact O-N 3.19Å |
| 554 | A | 54.7 | Low | 61.8 | Low | 73 Ų | 73 | 137.4 Ų | 137.4 | 60% | 0.603 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -91.6 | -37.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | K551 | K551-A554 PolarHBondContact O-N 3.46Å |
| 555 | D | 52.1 | Low | 59.7 | Low | 105 Ų | 105 | 139 Ų | 139 | 56% | 0.561 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -86.3 | -14.3 | -171.6 | -63.5 | -42.8 | 0 | 0 | 0 | 113.6 | K551 K557 K558 | K551-D555 PolarHBondContact O-N 2.9Å; K551-D555 VanDerWaalsContact O-N 3.15Å; D555-K557 PolarHBondContact O-N 3.46Å; D555-K558 PolarHBondContact O-N 3.43Å |
| 556 | M | 52.3 | Low | 58.2 | Low | 160 Ų | 160 | 141.4 Ų | 141.4 | 79% | 0.788 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | 20.1 | 177.3 | -77.2 | -98.5 | 60.4 | 0 | 0 | 115.6 | S552 | S552-M556 WeakPolarHBondContact O-CG 3.39Š|
| 557 | K | 52.3 | Low | 55.2 | Low | 196 Ų | 196 | 144.1 Ų | 144.1 | 85% | 0.852 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.9 | 11.7 | 179.1 | -76 | -166.7 | 173.2 | -175.3 | 0 | 114.8 | D555 | D555-K557 PolarHBondContact O-N 3.46Š|
| 558 | K | 49.1 | Very low | 53 | Low | 196 Ų | 196 | 143.5 Ų | 143.5 | 85% | 0.852 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -134.3 | -9.7 | -171.4 | -78.2 | -161.1 | 171.2 | -169.4 | 0 | 119.1 | D555 | D555-K558 PolarHBondContact O-N 3.43Š|
| 559 | E | 42.4 | Very low | 51.8 | Low | 192 Ų | 192 | 141.4 Ų | 141.4 | 90% | 0.897 | 74% | 0.738 | S | S | * | * | trans | -128.6 | 50.8 | -168.9 | -145 | 155.7 | -146.4 | 0 | 0 | 113.8 | ||||
| 560 | E | 47.6 | Very low | 50.5 | Low | 179 Ų | 179 | 143 Ų | 143 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | trans | -97.7 | 81.3 | 159.8 | -173.5 | -173.3 | 171.6 | 0 | 0 | 109.6 | ||||
| 561 | Q | 40.2 | Very low | 48.2 | Very low | 175 Ų | 175 | 137.8 Ų | 137.8 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -173.1 | 131.5 | 153 | -108.5 | 147.5 | 105.7 | 0 | 0 | 114 | ||||
| 562 | V | 40.1 | Very low | 47.2 | Very low | 117 Ų | 117 | 138.3 Ų | 138.3 | 71% | 0.709 | 76% | 0.761 | S | S | * | * | trans | 39.4 | 99.8 | 134.4 | -174.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 563 | Q | 38.8 | Very low | 46.3 | Very low | 165 Ų | 165 | 140.7 Ų | 140.7 | 77% | 0.771 | 77% | 0.773 | S | S | * | * | 81.6 | 143.5 | 67.5 | -166.7 | -166.2 | 5.6 | 0 | 0 | 114.3 | |||||
| 564 | T | 32.6 | Very low | 45.7 | Very low | 131 Ų | 131 | 138.6 Ų | 138.6 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | 89.8 | 139.6 | 170.9 | 74.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 565 | L | 48.7 | Very low | 45 | Very low | 164 Ų | 164 | 141.6 Ų | 141.6 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | trans | -92 | -166.4 | 169.1 | -62.5 | 152.7 | 0 | 0 | 0 | 108.8 | ||||
| 566 | P | 61.3 | Low | 44.5 | Very low | 114 Ų | 114 | 145.8 Ų | 145.8 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | cis | -130.4 | -164.6 | -16.7 | 28.3 | -4.9 | 0 | 0 | 0 | 113.1 | ||||
| 567 | V | 26.6 | Very low | 44.1 | Very low | 132 Ų | 132 | 142.1 Ų | 142.1 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | 151.2 | 140.7 | 129.5 | 164.7 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 568 | S | 47.3 | Very low | 43.5 | Very low | 107 Ų | 107 | 140.5 Ų | 140.5 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -141.9 | -173.7 | 172.3 | -47 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 569 | P | 64.2 | Low | 42.8 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | cis | -116.2 | -100.8 | -10.9 | 21.9 | 5.4 | 0 | 0 | 0 | 110.5 | ||||
| 570 | P | 54.7 | Low | 42.6 | Very low | 117 Ų | 117 | 134 Ų | 134 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | cis | -131.1 | 162.5 | -40.7 | 39.4 | -22.6 | 0 | 0 | 0 | 117.4 | ||||
| 571 | G | 32.6 | Very low | 42.4 | Very low | 69 Ų | 69 | 133.5 Ų | 133.5 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | 90.1 | 140.5 | 151.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 572 | D | 41 | Very low | 42.4 | Very low | 148 Ų | 148 | 132.8 Ų | 132.8 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | cis | -157.7 | -154.3 | -20.3 | -138.8 | -130.7 | 0 | 0 | 0 | 108.1 | ||||
| 573 | V | 39.9 | Very low | 42.4 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 71% | 0.709 | 76% | 0.755 | S | S | * | * | cis | -152.1 | 172.3 | 14.7 | 79 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 574 | I | 41.8 | Very low | 42.4 | Very low | 133 Ų | 133 | 127.7 Ų | 127.7 | 68% | 0.682 | 75% | 0.749 | S | S | * | * | trans | -52.1 | 138.5 | -176.9 | -64.9 | 155.3 | 0 | 0 | 0 | 116.1 | ||||
| 575 | T | 38.6 | Very low | 42.9 | Very low | 135 Ų | 135 | 130.3 Ų | 130.3 | 83% | 0.828 | 75% | 0.749 | S | S | * | * | trans | -152.8 | -177.4 | 150.6 | -20 | 0 | 0 | 0 | 0 | 112 | ||||
| 576 | K | 42.7 | Very low | 42.3 | Very low | 193 Ų | 193 | 131 Ų | 131 | 84% | 0.839 | 75% | 0.745 | S | S | * | * | trans | -153.1 | 158.6 | -168.4 | -72.6 | 178 | -178.1 | 174.4 | 0 | 109.4 | ||||
| 577 | A | 43.8 | Very low | 41 | Very low | 84 Ų | 84 | 130.6 Ų | 130.6 | 69% | 0.694 | 74% | 0.74 | S | S | * | * | cis | -170 | 164.8 | -17.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 578 | H | 40.4 | Very low | 41.3 | Very low | 161 Ų | 161 | 131.7 Ų | 131.7 | 75% | 0.745 | 74% | 0.736 | S | S | * | * | trans | 76.8 | 127.3 | 145.9 | -103.9 | 86.6 | 0 | 0 | 0 | 125.3 | ||||
| 579 | V | 32.7 | Very low | 40.5 | Very low | 127 Ų | 127 | 134 Ų | 134 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | trans | 149.6 | 93.1 | 140.3 | 163.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 580 | I | 38.1 | Very low | 38.9 | Very low | 126 Ų | 126 | 135 Ų | 135 | 65% | 0.646 | 73% | 0.727 | S | S | * | * | 64.4 | 126.1 | 83.7 | -63.6 | 172.9 | 0 | 0 | 0 | 113.3 | |||||
| 581 | K | 44.1 | Very low | 37.9 | Very low | 168 Ų | 168 | 135.4 Ų | 135.4 | 73% | 0.73 | 73% | 0.727 | S | S | * | * | cis | -168.3 | 140 | -34.4 | -117.5 | -172.3 | 179.6 | -173.3 | 0 | 107.5 | ||||
| 582 | Q | 40.7 | Very low | 37.7 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | 55.9 | 148.4 | 107.8 | -66.3 | 178 | -19.9 | 0 | 0 | 116.9 | |||||
| 583 | A | 40.9 | Very low | 37.3 | Very low | 83 Ų | 83 | 139.2 Ų | 139.2 | 69% | 0.686 | 72% | 0.72 | S | S | * | * | cis | -150.4 | 152.1 | 19.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 584 | S | 36.9 | Very low | 36.9 | Very low | 92 Ų | 92 | 141.1 Ų | 141.1 | 64% | 0.643 | 72% | 0.721 | S | S | * | * | 67.8 | 145.6 | 77.4 | -60.4 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 585 | K | 43.2 | Very low | 36.4 | Very low | 186 Ų | 186 | 140.8 Ų | 140.8 | 81% | 0.809 | 72% | 0.719 | S | S | * | * | cis | -171.1 | 164.8 | 1.3 | -114.2 | 166.9 | -164.7 | 176.1 | 0 | 111.2 | ||||
| 586 | K | 36.8 | Very low | 36 | Very low | 178 Ų | 178 | 142 Ų | 142 | 77% | 0.774 | 72% | 0.717 | S | S | * | * | trans | 67.3 | 146.4 | 154.3 | -96.9 | -162.9 | 157.7 | -148.4 | 0 | 117.9 | ||||
| 587 | V | 34.5 | Very low | 35.7 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | cis | 77.6 | 114.6 | 14.7 | -170.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 588 | E | 33.1 | Very low | 35.2 | Very low | 156 Ų | 156 | 142.1 Ų | 142.1 | 73% | 0.729 | 71% | 0.713 | S | S | * | * | cis | -168.3 | -174.1 | 42.5 | -144 | 165 | 148.8 | 0 | 0 | 113.8 | ||||
| 589 | F | 30.9 | Very low | 34.6 | Very low | 155 Ų | 155 | 141 Ų | 141 | 68% | 0.68 | 72% | 0.717 | S | S | * | * | trans | 90.8 | 101.5 | 146 | -113.8 | -119 | 0 | 0 | 0 | 123.3 | ||||
| 590 | Q | 30.5 | Very low | 34.6 | Very low | 142 Ų | 142 | 141.2 Ų | 141.2 | 66% | 0.664 | 71% | 0.71 | S | S | * | * | 73.2 | 101.4 | 111.6 | -160.9 | 165.5 | 107.4 | 0 | 0 | 123.7 | |||||
| 591 | V | 31.9 | Very low | 34.2 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 76% | 0.758 | 72% | 0.719 | S | S | * | * | 81.2 | 134.7 | 129.5 | 168.8 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 592 | K | 29.6 | Very low | 33.8 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 68% | 0.678 | 71% | 0.714 | S | S | * | * | trans | 81 | 141 | 157.2 | -98.5 | 167.7 | 159.4 | -84.5 | 0 | 120.9 | ||||
| 593 | E | 31.6 | Very low | 33.5 | Very low | 142 Ų | 142 | 141.4 Ų | 141.4 | 66% | 0.664 | 72% | 0.718 | S | S | * | * | trans | 39.3 | 147.7 | 148.3 | -69.7 | 148.7 | 161.8 | 0 | 0 | 121.1 | ||||
| 594 | E | 33.2 | Very low | 32.9 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 73% | 0.729 | 72% | 0.72 | S | S | * | * | cis | -170.6 | 175.3 | -30.3 | -143.8 | -169.4 | 155.7 | 0 | 0 | 107.1 | ||||
| 595 | I | 30.2 | Very low | 32.6 | Very low | 126 Ų | 126 | 143.5 Ų | 143.5 | 65% | 0.646 | 72% | 0.722 | S | S | * | * | trans | 66 | 101.2 | 152.8 | -64.7 | 164.1 | 0 | 0 | 0 | 119.4 | ||||
| 596 | M | 30.7 | Very low | 32 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 80% | 0.798 | 72% | 0.721 | S | S | * | * | 64.1 | 124 | 126.7 | -72 | 173 | 44.2 | 0 | 0 | 125.4 | |||||
| 597 | V | 36.1 | Very low | 31.6 | Very low | 102 Ų | 102 | 139.5 Ų | 139.5 | 62% | 0.618 | 72% | 0.722 | S | S | * | * | 98.4 | 126.2 | 116.5 | 162.3 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 598 | Q | 33.3 | Very low | 31.5 | Very low | 177 Ų | 177 | 143.4 Ų | 143.4 | 83% | 0.827 | 73% | 0.731 | S | S | * | * | trans | 62.1 | 164.4 | 159 | -74.3 | 166.9 | 47.8 | 0 | 0 | 116.7 | ||||
| 599 | V | 28 | Very low | 31.5 | Very low | 136 Ų | 136 | 144 Ų | 144 | 82% | 0.824 | 73% | 0.731 | S | S | * | * | cis | -141.4 | 168.8 | 28.7 | 173.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 600 | E | 32.7 | Very low | 31.4 | Very low | 133 Ų | 133 | 144 Ų | 144 | 62% | 0.621 | 73% | 0.733 | S | S | * | * | trans | -97.5 | 151.2 | -178.4 | 174.5 | -168.2 | -164.9 | 0 | 0 | 113.7 | K602 | E600-K602 VanDerWaalsContact CD-NZ 3.34Å; E600-K602 WeakPolarHBondContact OE1-CE 3.39Å; E600-K602 IonicContact OE1-NZ 3.26Å; E600-K602 PolarHBondContact OE1-NZ 2.89Å | ||
| 601 | T | 29 | Very low | 31.2 | Very low | 136 Ų | 136 | 141.7 Ų | 141.7 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | trans | -179.4 | 179.5 | 142.7 | 23.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 602 | K | 37.2 | Very low | 30.9 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 63% | 0.63 | 74% | 0.742 | S | S | * | * | trans | -137.8 | 176.6 | -161.5 | -45.6 | 98.1 | -176.4 | -177.7 | 0 | 111.6 | E600 | E600-K602 VanDerWaalsContact CD-NZ 3.34Å; E600-K602 WeakPolarHBondContact OE1-CE 3.39Å; E600-K602 IonicContact OE1-NZ 3.26Å; E600-K602 PolarHBondContact OE1-NZ 2.89Å | ||
| 603 | E | 32.3 | Very low | 30.6 | Very low | 176 Ų | 176 | 137.7 Ų | 137.7 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | cis | -131.6 | -113.5 | 12.6 | -60.8 | -177.8 | 173.2 | 0 | 0 | 114.2 | ||||
| 604 | S | 30 | Very low | 30.5 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | cis | -157.1 | 145.6 | 8.1 | 56.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 605 | V | 29.7 | Very low | 30.1 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 70% | 0.697 | 76% | 0.759 | S | S | * | * | trans | 50.4 | 90.5 | 144.1 | -171.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 606 | T | 30 | Very low | 29.8 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | 40.2 | 140.5 | 129.7 | 72.1 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 607 | L | 29.6 | Very low | 29.5 | Very low | 153 Ų | 153 | 128.4 Ų | 128.4 | 80% | 0.801 | 77% | 0.766 | S | S | * | * | -152.6 | 120.8 | 126.6 | -112.7 | 179.5 | 0 | 0 | 0 | 112.6 | |||||
| 608 | K | 32.1 | Very low | 29 | Very low | 188 Ų | 188 | 128.1 Ų | 128.1 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 52.6 | 134.4 | 164.7 | -65.7 | 173.5 | -177.1 | 177.9 | 0 | 120.2 | ||
| 609 | K | 33.8 | Very low | 28.8 | Very low | 167 Ų | 167 | 124.2 Ų | 124.2 | 73% | 0.726 | 77% | 0.773 | S | S | * | * | cis | -164.4 | 124 | -30.1 | -127.6 | -176.1 | -176.1 | -80.4 | 0 | 107.8 | ||||
| 610 | E | 27.4 | Very low | 28.8 | Very low | 155 Ų | 155 | 126.2 Ų | 126.2 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | 35.4 | 141.9 | 126 | -63.4 | -179.8 | 120.1 | 0 | 0 | 120.7 | |||||
| 611 | A | 26.3 | Very low | 28.7 | Very low | 94 Ų | 94 | 126.8 Ų | 126.8 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | cis | -165 | 176.1 | -8.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 612 | A | 25.9 | Very low | 28.6 | Very low | 101 Ų | 101 | 126.6 Ų | 126.6 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | cis | -142.9 | 171.6 | 4.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 613 | A | 24.6 | Very low | 28.2 | Very low | 96 Ų | 96 | 125.5 Ų | 125.5 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | trans | -98.3 | 144.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 614 | A | 28 | Very low | 28.1 | Very low | 99 Ų | 99 | 123 Ų | 123 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 37.7 | 144.6 | 145.7 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 615 | A | 24.6 | Very low | 28.1 | Very low | 99 Ų | 99 | 126 Ų | 126 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 89 | 152.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 616 | A | 24.6 | Very low | 28.3 | Very low | 104 Ų | 104 | 126 Ų | 126 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | 61.7 | 154.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 617 | A | 24.1 | Very low | 28.5 | Very low | 89 Ų | 89 | 128.6 Ų | 128.6 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | cis | -161.5 | 165.2 | -31.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 618 | A | 25.4 | Very low | 28.4 | Very low | 96 Ų | 96 | 129.3 Ų | 129.3 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | trans | 36.9 | 118.9 | 151.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 619 | A | 28.8 | Very low | 28.4 | Very low | 96 Ų | 96 | 127.2 Ų | 127.2 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | trans | 88.6 | 151.6 | 132.6 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 620 | Q | 28.8 | Very low | 28.4 | Very low | 177 Ų | 177 | 127.6 Ų | 127.6 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | 76.2 | 107.1 | 157.2 | -74.9 | -177.3 | -26.7 | 0 | 0 | 122 | ||||
| 621 | M | 30.2 | Very low | 28.4 | Very low | 145 Ų | 145 | 127 Ų | 127 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | 80.8 | 146.3 | 122.4 | -59 | -103.8 | 49.7 | 0 | 0 | 119.6 | |||||
| 622 | D | 28.2 | Very low | 28.5 | Very low | 133 Ų | 133 | 129.7 Ų | 129.7 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | 23 | 128.1 | 157.3 | -59 | -24.8 | 0 | 0 | 0 | 118.7 | ||||
| 623 | S | 28.5 | Very low | 28.5 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | -167.1 | 163.5 | 63.7 | 29.3 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 624 | D | 29.9 | Very low | 28.9 | Very low | 123 Ų | 123 | 134 Ų | 134 | 66% | 0.658 | 78% | 0.783 | S | S | * | * | trans | -64.9 | 166.2 | 170.8 | -159.9 | 6.1 | 0 | 0 | 0 | 113.2 | ||||
| 625 | K | 30.5 | Very low | 30.2 | Very low | 167 Ų | 167 | 134.5 Ų | 134.5 | 73% | 0.726 | 78% | 0.778 | S | S | * | * | trans | 70.2 | 114.5 | 162.2 | -69 | 149.8 | -178.6 | 118.3 | 0 | 121.4 | ||||
| 626 | S | 33.3 | Very low | 30.3 | Very low | 115 Ų | 115 | 136 Ų | 136 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | 66.7 | 132.3 | 115.4 | -155.3 | 0 | 0 | 0 | 0 | 121.6 | Q628 | S626-Q628 PolarHBondContact O-N 3.29Š| |||
| 627 | K | 34.1 | Very low | 30.5 | Very low | 182 Ų | 182 | 136.2 Ų | 136.2 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | -49.4 | 131.5 | 151.8 | -57.7 | 172.3 | -174.7 | 179.1 | 0 | 108.6 | ||||
| 628 | Q | 26.7 | Very low | 30.8 | Very low | 168 Ų | 168 | 140.6 Ų | 140.6 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | 61.2 | 88.1 | 62.8 | -166.3 | -166 | 37.4 | 0 | 0 | 113.3 | S626 | S626-Q628 PolarHBondContact O-N 3.29Š| |||
| 629 | V | 32.8 | Very low | 31 | Very low | 145 Ų | 145 | 139.9 Ų | 139.9 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | trans | -135.7 | 157.1 | 138 | -178.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 630 | Q | 33.9 | Very low | 31.1 | Very low | 175 Ų | 175 | 143 Ų | 143 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -89.4 | 167.5 | -159.8 | -66.6 | 160.9 | -49.2 | 0 | 0 | 115.3 | ||||
| 631 | N | 26.3 | Very low | 31 | Very low | 143 Ų | 143 | 139.1 Ų | 139.1 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | trans | -62.8 | 152.3 | 176.9 | -52.1 | -48.6 | 0 | 0 | 0 | 113.3 | ||||
| 632 | N | 29.1 | Very low | 31.2 | Very low | 150 Ų | 150 | 138.5 Ų | 138.5 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | 179.5 | 148.1 | 100.5 | -89.7 | -40.2 | 0 | 0 | 0 | 114.5 | |||||
| 633 | T | 25.9 | Very low | 32.9 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 69% | 0.693 | 77% | 0.766 | S | S | * | * | trans | 66.8 | 93.5 | 153.4 | -48.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 634 | H | 32.4 | Very low | 32.8 | Very low | 173 Ų | 173 | 138.5 Ų | 138.5 | 80% | 0.801 | 76% | 0.758 | S | S | * | * | 38.5 | 159.7 | 114.4 | -56.2 | -55.6 | 0 | 0 | 0 | 122.9 | |||||
| 635 | P | 56.5 | Low | 32.9 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | cis | -139.4 | -151.5 | -29.1 | 34.9 | -12 | 0 | 0 | 0 | 112.7 | ||||
| 636 | V | 26.6 | Very low | 32.9 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | 75.6 | 136.8 | 156.9 | 160.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 637 | T | 27.7 | Very low | 34.1 | Very low | 108 Ų | 108 | 142.6 Ų | 142.6 | 66% | 0.663 | 76% | 0.759 | S | S | * | * | cis | -164.7 | 170 | -7 | -99 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 638 | Q | 31.9 | Very low | 34 | Very low | 181 Ų | 181 | 140.7 Ų | 140.7 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | trans | -12.3 | 160.3 | 161 | -61.9 | 164.1 | -0.2 | 0 | 0 | 120.3 | ||||
| 639 | A | 29.2 | Very low | 34.5 | Very low | 82 Ų | 82 | 140 Ų | 140 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | cis | -177.5 | -177.2 | -16.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 640 | L | 30.1 | Very low | 34.8 | Very low | 160 Ų | 160 | 140.9 Ų | 140.9 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | trans | 74.3 | 117.7 | 152.4 | -75.4 | 162.6 | 0 | 0 | 0 | 123.3 | ||||
| 641 | S | 26.8 | Very low | 34.9 | Very low | 96 Ų | 96 | 138.8 Ų | 138.8 | 67% | 0.671 | 73% | 0.729 | S | S | * | * | trans | 49.7 | 108.5 | 137.2 | 59.7 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 642 | V | 34.8 | Very low | 35.3 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 80% | 0.8 | 72% | 0.722 | S | S | * | * | 29.9 | 143 | 96.3 | -175 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 643 | P | 64.4 | Low | 35.7 | Very low | 110 Ų | 110 | 134 Ų | 134 | 71% | 0.714 | 72% | 0.715 | S | S | * | * | cis | -134.8 | -176 | -9.1 | 32.3 | -9.8 | 0 | 0 | 0 | 116 | ||||
| 644 | E | 26.7 | Very low | 36.4 | Very low | 144 Ų | 144 | 136.6 Ų | 136.6 | 67% | 0.673 | 72% | 0.716 | S | S | * | * | 153 | 149.1 | 128 | -80.9 | -106.7 | 86.6 | 0 | 0 | 118 | |||||
| 645 | K | 31.2 | Very low | 36.5 | Very low | 159 Ų | 159 | 134.7 Ų | 134.7 | 69% | 0.691 | 71% | 0.708 | S | S | * | * | trans | 4.4 | 132.4 | 159.9 | -64.2 | 161.5 | -173.5 | 133.2 | 0 | 123.7 | ||||
| 646 | R | 31.5 | Very low | 35.4 | Very low | 235 Ų | 235 | 135.1 Ų | 135.1 | 89% | 0.887 | 70% | 0.704 | S | S | * | * | 36.3 | 164.2 | 102.4 | -104.9 | -169.7 | 169.4 | 171.1 | -1 | 120.2 | |||||
| 647 | P | 57.3 | Low | 35.7 | Very low | 97 Ų | 97 | 134.6 Ų | 134.6 | 63% | 0.63 | 71% | 0.705 | S | S | * | * | cis | -141.6 | -159.7 | -6.1 | 27.1 | 0.6 | 0 | 0 | 0 | 114.8 | ||||
| 648 | E | 31.7 | Very low | 35.9 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 67% | 0.668 | 71% | 0.707 | S | S | * | * | trans | 80.9 | 150.6 | 154.3 | -50.1 | -138.5 | 123.9 | 0 | 0 | 118.3 | ||||
| 649 | K | 38.6 | Very low | 36.2 | Very low | 152 Ų | 152 | 129.6 Ų | 129.6 | 66% | 0.661 | 71% | 0.705 | S | S | * | * | cis | -153.3 | 172.8 | -11.7 | -115.8 | 168.1 | -178.3 | 141.2 | 0 | 105.3 | ||||
| 650 | K | 38.6 | Very low | 36.6 | Very low | 164 Ų | 164 | 133.6 Ų | 133.6 | 71% | 0.713 | 71% | 0.71 | S | S | * | * | cis | -156.8 | 177.1 | 9.1 | -132.9 | -171.5 | -177.6 | -160.7 | 0 | 104.3 | ||||
| 651 | Q | 36.6 | Very low | 36.8 | Very low | 132 Ų | 132 | 132.4 Ų | 132.4 | 62% | 0.617 | 70% | 0.703 | S | S | * | * | cis | -163.2 | 177 | -3.1 | -149 | -175.3 | -108.2 | 0 | 0 | 104.2 | ||||
| 652 | T | 33.9 | Very low | 37.1 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 61% | 0.607 | 70% | 0.702 | S | S | * | * | cis | -159.3 | 172.3 | 10 | -30.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 653 | S | 37.9 | Very low | 37.2 | Very low | 94 Ų | 94 | 134.4 Ų | 134.4 | 66% | 0.657 | 70% | 0.7 | S | S | * | * | trans | 10.7 | 144.2 | 145.5 | 61 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 654 | K | 39.3 | Very low | 35.6 | Very low | 166 Ų | 166 | 135.9 Ų | 135.9 | 72% | 0.722 | 70% | 0.698 | S | S | * | * | cis | -177.5 | 179.2 | 4.4 | -109.9 | -163.2 | 176.4 | -70.6 | 0 | 106.5 | ||||
| 655 | E | 34.3 | Very low | 35.7 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 63% | 0.626 | 70% | 0.7 | S | S | * | * | cis | 176.5 | 168 | -36.2 | -117 | -179.9 | -114.8 | 0 | 0 | 107.4 | ||||
| 656 | N | 35 | Very low | 35.7 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 64% | 0.636 | 71% | 0.706 | S | S | * | * | cis | -158.9 | 165.7 | -8.1 | -148.9 | -27.4 | 0 | 0 | 0 | 109.8 | ||||
| 657 | C | 32.6 | Very low | 35.4 | Very low | 120 Ų | 120 | 124.4 Ų | 124.4 | 81% | 0.811 | 70% | 0.701 | S | S | * | * | trans | 61.5 | 153.9 | 166.5 | -59.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 658 | G | 31.4 | Very low | 34 | Very low | 67 Ų | 67 | 124.2 Ų | 124.2 | 69% | 0.691 | 70% | 0.702 | S | S | * | * | cis | 163 | 158.5 | -9.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 659 | S | 38.8 | Very low | 33.9 | Very low | 117 Ų | 117 | 123.4 Ų | 123.4 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | trans | 70.5 | 147.5 | 171.1 | -71.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 660 | Q | 36.6 | Very low | 33.4 | Very low | 166 Ų | 166 | 122.2 Ų | 122.2 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | cis | -169.1 | 146.5 | -14.9 | -129.6 | -179.7 | 0.7 | 0 | 0 | 107.7 | ||||
| 661 | I | 35.3 | Very low | 33 | Very low | 134 Ų | 134 | 122.8 Ų | 122.8 | 69% | 0.687 | 71% | 0.709 | S | S | * | * | 166.8 | 150.1 | 83.1 | -103 | 145.7 | 0 | 0 | 0 | 109.4 | |||||
| 662 | S | 32.2 | Very low | 33.1 | Very low | 94 Ų | 94 | 124.4 Ų | 124.4 | 66% | 0.657 | 72% | 0.717 | S | S | * | * | trans | 48.6 | 126.7 | 166.9 | 57.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 663 | K | 38 | Very low | 32.9 | Very low | 176 Ų | 176 | 128.4 Ų | 128.4 | 77% | 0.765 | 73% | 0.728 | S | S | * | * | 69.6 | 138 | 57.9 | -68.7 | 166 | 153.5 | -107.3 | 0 | 113.1 | |||||
| 664 | E | 29.1 | Very low | 32.5 | Very low | 142 Ų | 142 | 127 Ų | 127 | 66% | 0.664 | 73% | 0.729 | S | S | * | * | cis | -146.4 | 147.4 | 6.3 | -114.3 | 140.3 | -144 | 0 | 0 | 109.2 | ||||
| 665 | A | 29 | Very low | 32.3 | Very low | 86 Ų | 86 | 129.2 Ų | 129.2 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | 58.3 | 134.4 | 96.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 666 | S | 31.1 | Very low | 32.2 | Very low | 118 Ų | 118 | 130.1 Ų | 130.1 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | cis | -152 | 171.8 | 17.8 | -67.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 667 | A | 26.7 | Very low | 32 | Very low | 93 Ų | 93 | 132.6 Ų | 132.6 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | -58.7 | 173.5 | 157.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 668 | S | 28.2 | Very low | 32.1 | Very low | 93 Ų | 93 | 135 Ų | 135 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | 175.1 | 165.1 | 54.6 | -173.1 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 669 | T | 27.9 | Very low | 32.3 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | 63.8 | 156 | 150.7 | 42.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 670 | L | 29.3 | Very low | 31.9 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 67% | 0.665 | 75% | 0.753 | S | S | * | * | cis | -174.9 | 120.8 | -19.4 | 170.3 | 76.3 | 0 | 0 | 0 | 111 | ||||
| 671 | K | 30.2 | Very low | 31.7 | Very low | 175 Ų | 175 | 140.6 Ų | 140.6 | 76% | 0.761 | 76% | 0.755 | S | S | * | * | trans | 59.7 | 167.4 | 167.8 | -61.9 | 168.3 | -178.8 | 173.2 | 0 | 113.9 | ||||
| 672 | Q | 37.7 | Very low | 31.3 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | cis | -144.7 | 161.3 | -6.3 | -139.2 | 161.8 | -24.4 | 0 | 0 | 104.3 | ||||
| 673 | Q | 30.2 | Very low | 31.2 | Very low | 182 Ų | 182 | 141.2 Ų | 141.2 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | cis | 176.5 | 152.7 | 39.5 | -178.1 | 174.6 | 9.2 | 0 | 0 | 107.7 | ||||
| 674 | G | 30.5 | Very low | 31 | Very low | 65 Ų | 65 | 139.9 Ų | 139.9 | 67% | 0.67 | 75% | 0.752 | S | S | * | * | trans | 130.8 | 98.9 | 157.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 675 | R | 34.5 | Very low | 31 | Very low | 213 Ų | 213 | 140.5 Ų | 140.5 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | 34.9 | 116.1 | 135.1 | -58.8 | -179.1 | -162.9 | -89.4 | 6.4 | 118.6 | ||||
| 676 | E | 32.2 | Very low | 31 | Very low | 153 Ų | 153 | 146.3 Ų | 146.3 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | 68.8 | 140.5 | 83.4 | -67.6 | 161.5 | -169.8 | 0 | 0 | 113.5 | |||||
| 677 | M | 30.9 | Very low | 31.1 | Very low | 170 Ų | 170 | 145.7 Ų | 145.7 | 84% | 0.837 | 75% | 0.754 | S | S | * | * | cis | -152.5 | 179.2 | 11.4 | -146.8 | 172.2 | -74 | 0 | 0 | 111.6 | ||||
| 678 | E | 33.6 | Very low | 31.3 | Very low | 172 Ų | 172 | 148.2 Ų | 148.2 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | -90.5 | 161.8 | -175.4 | -71.2 | -170.6 | 109.4 | 0 | 0 | 116.8 | ||||
| 679 | L | 37.2 | Very low | 31.3 | Very low | 157 Ų | 157 | 149.6 Ų | 149.6 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | 3.6 | 139.2 | 145.1 | -50.2 | 172.9 | 0 | 0 | 0 | 119.5 | ||||
| 680 | N | 30.5 | Very low | 31.5 | Very low | 155 Ų | 155 | 151.9 Ų | 151.9 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | 178.7 | 179.3 | 99.4 | -150.3 | -12.5 | 0 | 0 | 0 | 112.7 | |||||
| 681 | L | 30.8 | Very low | 31.6 | Very low | 154 Ų | 154 | 153.5 Ų | 153.5 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | trans | -88 | 176.1 | 178.4 | -87.9 | 70.8 | 0 | 0 | 0 | 114.2 | ||||
| 682 | N | 26.8 | Very low | 31.6 | Very low | 148 Ų | 148 | 150.1 Ų | 150.1 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | 83.2 | 148.2 | 160.7 | -124.9 | 8.8 | 0 | 0 | 0 | 115.1 | ||||
| 683 | T | 31.2 | Very low | 31.2 | Very low | 93 Ų | 93 | 147.9 Ų | 147.9 | 57% | 0.571 | 76% | 0.756 | S | S | * | * | cis | -153.2 | 154.5 | 11.2 | -33.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 684 | H | 32.9 | Very low | 31.1 | Very low | 148 Ų | 148 | 147.2 Ų | 147.2 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | trans | 66.8 | 125.7 | 141.5 | -91 | 6.9 | 0 | 0 | 0 | 123.9 | ||||
| 685 | H | 29.6 | Very low | 31 | Very low | 155 Ų | 155 | 149.3 Ų | 149.3 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | 55.5 | 156.3 | 123.6 | -68 | -23.3 | 0 | 0 | 0 | 122.3 | |||||
| 686 | R | 30.3 | Very low | 30.7 | Very low | 208 Ų | 208 | 146.6 Ų | 146.6 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | cis | 162.8 | 83.5 | -16.6 | 172.5 | -134.4 | 177.5 | -177.8 | -1.4 | 106.7 | ||||
| 687 | S | 32.4 | Very low | 30.7 | Very low | 106 Ų | 106 | 144.1 Ų | 144.1 | 74% | 0.741 | 74% | 0.744 | S | S | * | * | trans | -166.9 | 115.8 | 159.3 | 47.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 688 | I | 31.2 | Very low | 30.6 | Very low | 145 Ų | 145 | 144.1 Ų | 144.1 | 74% | 0.744 | 74% | 0.742 | S | S | * | * | 52.3 | 97 | 68.9 | -51.2 | 173.6 | 0 | 0 | 0 | 111.2 | |||||
| 689 | V | 28.5 | Very low | 30.6 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 74% | 0.739 | 74% | 0.743 | S | S | * | * | -167.4 | 127.9 | 121.8 | 142.3 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 690 | K | 30.7 | Very low | 30.4 | Very low | 174 Ų | 174 | 139.2 Ų | 139.2 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | trans | 9.3 | 130.7 | 149.6 | -43.6 | 167.4 | -172.4 | 174 | 0 | 119.2 | ||||
| 691 | I | 32.6 | Very low | 30.5 | Very low | 161 Ų | 161 | 139.5 Ų | 139.5 | 83% | 0.826 | 73% | 0.732 | S | S | * | * | 176.5 | 109.3 | 120.3 | -87.6 | 152.3 | 0 | 0 | 0 | 104.4 | |||||
| 692 | T | 29.6 | Very low | 30.9 | Very low | 105 Ų | 105 | 138 Ų | 138 | 64% | 0.644 | 72% | 0.724 | S | S | * | * | 74.7 | 106.8 | 57.3 | -54.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 693 | T | 28.4 | Very low | 31 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 73% | 0.73 | 73% | 0.725 | S | S | * | * | trans | 62.9 | 161.6 | 168.3 | 54 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 694 | Q | 28.6 | Very low | 31.1 | Very low | 169 Ų | 169 | 135.9 Ų | 135.9 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | cis | -146.5 | -180 | -0.2 | -137.3 | 163.2 | 56.4 | 0 | 0 | 111.3 | ||||
| 695 | V | 28.3 | Very low | 31 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 66% | 0.661 | 74% | 0.735 | S | S | * | * | trans | -58.5 | 146.7 | 167.2 | -82.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 696 | H | 29.1 | Very low | 31.4 | Very low | 155 Ų | 155 | 130.4 Ų | 130.4 | 72% | 0.718 | 74% | 0.736 | S | S | * | * | 172.6 | 111.4 | 116.5 | -97.7 | -73.2 | 0 | 0 | 0 | 110.1 | |||||
| 697 | T | 31.7 | Very low | 31.7 | Very low | 102 Ų | 102 | 129.8 Ų | 129.8 | 63% | 0.626 | 74% | 0.739 | S | S | * | * | 64.4 | 121.2 | 100.8 | 61.3 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 698 | E | 28.2 | Very low | 31.8 | Very low | 169 Ų | 169 | 129 Ų | 129 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | trans | 62.2 | 100.9 | 138.2 | -61.9 | 174 | 174.3 | 0 | 0 | 120.1 | ||||
| 699 | S | 33.9 | Very low | 32 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | -157.4 | 130.3 | 113.5 | -76.4 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 700 | T | 32.2 | Very low | 32.3 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 66% | 0.656 | 74% | 0.742 | S | S | * | * | cis | 93.1 | 113 | 40.1 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 701 | E | 34 | Very low | 32.6 | Very low | 162 Ų | 162 | 131.4 Ų | 131.4 | 76% | 0.757 | 74% | 0.741 | S | S | * | * | trans | 68.5 | 159.2 | 157.6 | -74.5 | -165.1 | 133.8 | 0 | 0 | 119.4 | ||||
| 702 | L | 39.2 | Very low | 32.5 | Very low | 122 Ų | 122 | 131.5 Ų | 131.5 | 64% | 0.639 | 74% | 0.739 | S | S | * | * | cis | -148.2 | 129.5 | -9 | -105.9 | 154.3 | 0 | 0 | 0 | 105.7 | ||||
| 703 | T | 29.2 | Very low | 32.5 | Very low | 133 Ų | 133 | 129.6 Ų | 129.6 | 82% | 0.816 | 74% | 0.74 | S | S | * | * | 78.3 | 142.3 | 94.5 | -73.4 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 704 | G | 31.5 | Very low | 32.7 | Very low | 63 Ų | 63 | 129.7 Ų | 129.7 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | trans | 120.4 | 99.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 705 | A | 31.8 | Very low | 33.1 | Very low | 99 Ų | 99 | 127.6 Ų | 127.6 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | cis | 58 | 125.9 | 25.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 706 | A | 37.3 | Very low | 33.5 | Very low | 89 Ų | 89 | 129.6 Ų | 129.6 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | cis | -157.7 | -155.4 | 8.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 707 | K | 37.6 | Very low | 33.8 | Very low | 195 Ų | 195 | 129.2 Ų | 129.2 | 85% | 0.848 | 75% | 0.751 | S | S | * | * | cis | -170.1 | 149.9 | 7.6 | -145.8 | 164.3 | -172.2 | 175.9 | 0 | 110.1 | ||||
| 708 | A | 35.1 | Very low | 33.9 | Very low | 89 Ų | 89 | 128 Ų | 128 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | trans | 59.8 | 172 | 155.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 709 | T | 35 | Very low | 34.2 | Very low | 122 Ų | 122 | 124.5 Ų | 124.5 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | cis | -152.7 | 172.1 | 5.2 | -14.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 710 | Q | 33.5 | Very low | 34.3 | Very low | 172 Ų | 172 | 125.1 Ų | 125.1 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | cis | -136.6 | -108 | 7.4 | -175.8 | 131.4 | -102.7 | 0 | 0 | 112.4 | ||||
| 711 | R | 36.9 | Very low | 34.6 | Very low | 198 Ų | 198 | 129.9 Ų | 129.9 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | trans | -163.4 | 149.1 | -161.2 | -90.6 | 176.5 | 165.6 | -117.4 | 5 | 113.2 | ||||
| 712 | Q | 31.6 | Very low | 34.6 | Very low | 164 Ų | 164 | 125.9 Ų | 125.9 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | trans | 59.9 | 141.1 | 143.6 | -64.4 | 171 | -85.4 | 0 | 0 | 120.2 | ||||
| 713 | G | 30.5 | Very low | 34.5 | Very low | 65 Ų | 65 | 130 Ų | 130 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | cis | 171.1 | 178.1 | -5.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 714 | S | 30.9 | Very low | 34.7 | Very low | 121 Ų | 121 | 127 Ų | 127 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | 70.2 | 154.5 | 177.4 | -61.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 715 | V | 36.9 | Very low | 34.8 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | cis | -162.4 | 167.1 | -17.3 | -95.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 716 | M | 36.9 | Very low | 34.8 | Very low | 151 Ų | 151 | 129.8 Ų | 129.8 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | cis | -158.6 | 163.4 | 0.3 | -129.5 | 177.2 | -170.4 | 0 | 0 | 110.2 | ||||
| 717 | N | 35.7 | Very low | 34.6 | Very low | 147 Ų | 147 | 133.6 Ų | 133.6 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | 54.9 | 140.9 | 150.2 | -60.3 | -18.4 | 0 | 0 | 0 | 122.3 | ||||
| 718 | G | 33.5 | Very low | 34.3 | Very low | 76 Ų | 76 | 134.4 Ų | 134.4 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | trans | 95.9 | 91.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 719 | A | 35.3 | Very low | 34 | Very low | 97 Ų | 97 | 135.7 Ų | 135.7 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | cis | 102.3 | 140.2 | 30.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 720 | V | 36.6 | Very low | 33.8 | Very low | 132 Ų | 132 | 135.2 Ų | 135.2 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | trans | 86.2 | 95 | 169.3 | -167.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 721 | K | 36.8 | Very low | 33.5 | Very low | 206 Ų | 206 | 135.1 Ų | 135.1 | 90% | 0.896 | 81% | 0.806 | S | S | * | * | trans | 39.2 | 138.5 | 133.3 | -59.9 | -176.6 | 176.3 | -177.1 | 0 | 121.9 | ||||
| 722 | G | 35 | Very low | 33.9 | Very low | 79 Ų | 79 | 130.9 Ų | 130.9 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | trans | -169.3 | 6.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 723 | E | 37.4 | Very low | 33.7 | Very low | 208 Ų | 208 | 128.9 Ų | 128.9 | 97% | 0.972 | 80% | 0.803 | S | S | * | * | trans | -97.4 | 143.4 | -173.4 | -67.8 | -154.2 | 157.8 | 0 | 0 | 116.2 | ||||
| 724 | G | 32 | Very low | 33.6 | Very low | 70 Ų | 70 | 130.5 Ų | 130.5 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | trans | -170.8 | 89 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 725 | S | 34.6 | Very low | 33.4 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | 72.7 | 114.8 | 78.8 | -170.2 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 726 | A | 31.5 | Very low | 33 | Very low | 101 Ų | 101 | 132 Ų | 132 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | -111.5 | 135 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 727 | L | 33.9 | Very low | 32.8 | Very low | 169 Ų | 169 | 129.2 Ų | 129.2 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | trans | -90.2 | 129.2 | -179.2 | -65.7 | 172.5 | 0 | 0 | 0 | 112 | ||||
| 728 | K | 30.9 | Very low | 32.7 | Very low | 213 Ų | 213 | 130.8 Ų | 130.8 | 93% | 0.926 | 80% | 0.804 | S | S | * | * | trans | -137.4 | 146.9 | 154.6 | -76 | -167.6 | 175.5 | -178.5 | 0 | 109.4 | ||||
| 729 | C | 28.8 | Very low | 32.6 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | trans | -119.9 | 134.4 | -176.4 | -179.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 730 | S | 30.1 | Very low | 32.7 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | -162.8 | 120.7 | 167.7 | 53.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 731 | H | 28.7 | Very low | 32.6 | Very low | 170 Ų | 170 | 137.3 Ų | 137.3 | 79% | 0.787 | 80% | 0.801 | S | S | * | * | trans | -69.5 | 162 | 157 | -63.9 | -78.1 | 0 | 0 | 0 | 108.9 | ||||
| 732 | P | 43.7 | Very low | 32.3 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | -155.2 | -180 | 52.5 | 39.8 | -15.5 | 0 | 0 | 0 | 120.1 | |||||
| 733 | T | 27.4 | Very low | 32.2 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | 65.2 | 112.8 | 145.8 | 41.4 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 734 | S | 29.6 | Very low | 32 | Very low | 100 Ų | 100 | 130.1 Ų | 130.1 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | 56 | 127.5 | 125.2 | 66.6 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 735 | E | 26.9 | Very low | 31.9 | Very low | 204 Ų | 204 | 134.6 Ų | 134.6 | 95% | 0.953 | 79% | 0.785 | S | S | * | * | trans | 60 | 146.6 | 145.9 | -59.9 | -172.9 | 173.7 | 0 | 0 | 120.2 | ||||
| 736 | G | 27.7 | Very low | 31.8 | Very low | 71 Ų | 71 | 134.3 Ų | 134.3 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | cis | 175.1 | 147.2 | -9.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 737 | S | 32.6 | Very low | 31.9 | Very low | 94 Ų | 94 | 133.1 Ų | 133.1 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | trans | 64 | 106.2 | 149.7 | -176.7 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 738 | K | 33.5 | Very low | 31.6 | Very low | 179 Ų | 179 | 133.8 Ų | 133.8 | 78% | 0.778 | 77% | 0.773 | S | S | * | * | trans | 72.7 | 161.7 | 140.3 | -59.3 | 167.7 | -160.7 | 162.1 | 0 | 116.5 | ||||
| 739 | Q | 32.6 | Very low | 31.6 | Very low | 162 Ų | 162 | 130 Ų | 130 | 76% | 0.757 | 76% | 0.758 | S | S | * | * | cis | -150.6 | 131.6 | 24.6 | -153.9 | 149.6 | -61.2 | 0 | 0 | 110.3 | ||||
| 740 | Q | 36.6 | Very low | 31.9 | Very low | 175 Ų | 175 | 132.9 Ų | 132.9 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | 39.4 | 144.7 | 106.6 | -67.7 | 179.3 | -43.1 | 0 | 0 | 117.6 | |||||
| 741 | S | 35.5 | Very low | 32.1 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | cis | -126.5 | -131.2 | 19.6 | 56.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 742 | N | 28.5 | Very low | 32.6 | Very low | 154 Ų | 154 | 132.9 Ų | 132.9 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | cis | -152.5 | -168.2 | 9.4 | -154.5 | -7.6 | 0 | 0 | 0 | 112.6 | ||||
| 743 | A | 32.8 | Very low | 32.1 | Very low | 80 Ų | 80 | 138 Ų | 138 | 66% | 0.661 | 77% | 0.767 | S | S | * | * | trans | -90.1 | -177.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 744 | S | 35.1 | Very low | 32.3 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | cis | -147.2 | -175.1 | 14.5 | -44.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 745 | I | 29.9 | Very low | 33.1 | Very low | 163 Ų | 163 | 136.6 Ų | 136.6 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | cis | -163.2 | 158.1 | 49.9 | -62.3 | 167.2 | 0 | 0 | 0 | 111.3 | ||||
| 746 | S | 31.4 | Very low | 33.2 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | -37.2 | 173.3 | 160.7 | -72.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 747 | A | 32.8 | Very low | 33.5 | Very low | 77 Ų | 77 | 137.2 Ų | 137.2 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | cis | -174.9 | 173.5 | -17.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 748 | E | 28.6 | Very low | 33.6 | Very low | 183 Ų | 183 | 136 Ų | 136 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | 57.6 | 169 | 151.8 | -72.7 | 169.1 | 154.9 | 0 | 0 | 122.1 | ||||
| 749 | E | 31.1 | Very low | 33.8 | Very low | 132 Ų | 132 | 135 Ų | 135 | 62% | 0.617 | 78% | 0.78 | S | S | * | * | -160.3 | 139.3 | -56.9 | -149.7 | -148.5 | 103.3 | 0 | 0 | 112.2 | |||||
| 750 | K | 34.8 | Very low | 33.9 | Very low | 177 Ų | 177 | 130.6 Ų | 130.6 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | 48.4 | 157.9 | 156.7 | -79.2 | -166.1 | -156.7 | 108.1 | 0 | 121.6 | ||||
| 751 | A | 35.1 | Very low | 33.8 | Very low | 81 Ų | 81 | 134.1 Ų | 134.1 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | cis | -169 | 173.2 | -12.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 752 | K | 37.7 | Very low | 33.7 | Very low | 201 Ų | 201 | 134.6 Ų | 134.6 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | 85.5 | 123.3 | 152.9 | -86.9 | 178.2 | 177 | 173.1 | 0 | 122.1 | ||||
| 753 | K | 34.6 | Very low | 33.8 | Very low | 216 Ų | 216 | 132 Ų | 132 | 94% | 0.939 | 78% | 0.78 | S | S | * | * | trans | 44.8 | 109.6 | 152.3 | -77.2 | -164.4 | 171.6 | -169.4 | 0 | 119.8 | ||||
| 754 | G | 30.5 | Very low | 33.7 | Very low | 75 Ų | 75 | 135.9 Ų | 135.9 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -168.4 | 155.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 755 | P | 47.2 | Very low | 33.5 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | trans | -123.8 | 170.8 | -169.3 | 40.4 | -26.3 | 0 | 0 | 0 | 116.9 | ||||
| 756 | V | 29.5 | Very low | 33.6 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | 68.2 | 148.9 | 160.6 | -68.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 757 | D | 33.8 | Very low | 33.6 | Very low | 162 Ų | 162 | 136.1 Ų | 136.1 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | trans | 67.5 | 132.6 | 162.3 | -59.9 | -19.3 | 0 | 0 | 0 | 123.3 | ||||
| 758 | G | 34.3 | Very low | 35.1 | Very low | 69 Ų | 69 | 138 Ų | 138 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | 122 | 56.3 | 125.7 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 759 | V | 37.7 | Very low | 35.1 | Very low | 158 Ų | 158 | 137.2 Ų | 137.2 | 96% | 0.958 | 79% | 0.786 | S | S | * | * | trans | 54.2 | 119.2 | 147.3 | -176.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 760 | G | 33.5 | Very low | 35.1 | Very low | 68 Ų | 68 | 136.2 Ų | 136.2 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | 127.6 | 91.6 | 134.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 761 | R | 35.6 | Very low | 35 | Very low | 250 Ų | 250 | 136 Ų | 136 | 94% | 0.943 | 79% | 0.79 | S | S | * | * | trans | 43.4 | 143.5 | 145.7 | -82.4 | -176.8 | 170.3 | -166.7 | -3.5 | 120.9 | ||||
| 762 | S | 32.5 | Very low | 34.9 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | cis | -160.9 | 153.8 | 2.8 | -174.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 763 | S | 31.2 | Very low | 34.6 | Very low | 100 Ų | 100 | 135.3 Ų | 135.3 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | trans | -150 | 158.6 | -154.4 | -30.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 764 | L | 32 | Very low | 35.1 | Very low | 162 Ų | 162 | 131.1 Ų | 131.1 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | 74.8 | 155.5 | 152.5 | -61.1 | 173.4 | 0 | 0 | 0 | 119.6 | ||||
| 765 | T | 30.6 | Very low | 35.6 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 69% | 0.693 | 79% | 0.787 | S | S | * | * | cis | -172.9 | 159.7 | -32.8 | -103.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 766 | M | 30.6 | Very low | 35 | Very low | 158 Ų | 158 | 133.7 Ų | 133.7 | 78% | 0.778 | 79% | 0.787 | S | S | * | * | trans | -6.9 | 163.4 | 153.7 | -49.1 | -88.8 | 81.1 | 0 | 0 | 120 | ||||
| 767 | V | 32.9 | Very low | 35.5 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | cis | -165.7 | 160.7 | -3.4 | 120.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 768 | P | 63.9 | Low | 35.5 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | trans | -98.2 | 159.5 | -171.8 | 37.7 | -36.7 | 0 | 0 | 0 | 116.7 | ||||
| 769 | L | 28.6 | Very low | 35.9 | Very low | 165 Ų | 165 | 141.8 Ų | 141.8 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -153.9 | 132.9 | 160.4 | -168.3 | 58.7 | 0 | 0 | 0 | 115.4 | ||||
| 770 | V | 31 | Very low | 35.9 | Very low | 111 Ų | 111 | 143.2 Ų | 143.2 | 67% | 0.673 | 80% | 0.795 | S | S | * | * | trans | 4.8 | 131.6 | 155 | 167 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 771 | H | 32.5 | Very low | 36.8 | Very low | 172 Ų | 172 | 145.7 Ų | 145.7 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | trans | 13.7 | 143.4 | 146.5 | -59.5 | -99.1 | 0 | 0 | 0 | 122.5 | ||||
| 772 | L | 32 | Very low | 36.9 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | -164.9 | 173.7 | 116.4 | -104.8 | 167.9 | 0 | 0 | 0 | 114 | |||||
| 773 | S | 31.6 | Very low | 37.2 | Very low | 97 Ų | 97 | 143.9 Ų | 143.9 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -70 | 159.3 | -158.6 | -48.4 | 0 | 0 | 0 | 0 | 118.7 | ||
| 774 | P | 46.3 | Very low | 37.5 | Very low | 128 Ų | 128 | 145.8 Ų | 145.8 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 137.2 | 172.9 | 34.3 | -33.7 | 0 | 0 | 0 | 113.6 | ||
| 775 | P | 39.7 | Very low | 37.8 | Very low | 120 Ų | 120 | 146.3 Ų | 146.3 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -101 | 144.5 | 173.5 | 35.8 | -31.5 | 0 | 0 | 0 | 114.5 | ||
| 776 | V | 35.8 | Very low | 37.8 | Very low | 126 Ų | 126 | 151.9 Ų | 151.9 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 142.2 | 171.6 | 176.5 | 0 | 0 | 0 | 0 | 113.9 | K778 | V776-K778 HydrophobicContact CG1-CG 4.47Š|
| 777 | I | 38.9 | Very low | 37.9 | Very low | 162 Ų | 162 | 149.4 Ų | 149.4 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | trans | -112.9 | 137.4 | 158.6 | -62.7 | 178.8 | 0 | 0 | 0 | 108.7 | ||||
| 778 | K | 33.9 | Very low | 37.8 | Very low | 187 Ų | 187 | 152.4 Ų | 152.4 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | -97.1 | 156.9 | 178.3 | -61.3 | 177.6 | -179.2 | 177.7 | 0 | 110.8 | V776 | V776-K778 HydrophobicContact CG1-CG 4.47Š| ||
| 779 | L | 44.1 | Very low | 36.6 | Very low | 179 Ų | 179 | 151.6 Ų | 151.6 | 94% | 0.937 | 81% | 0.805 | S | S | * | * | trans | -107.7 | 142.3 | 164.6 | -67.6 | 173.7 | 0 | 0 | 0 | 109.7 | ||||
| 780 | E | 36.2 | Very low | 36.9 | Very low | 188 Ų | 188 | 149.3 Ų | 149.3 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | -142.2 | 135.2 | 171.2 | -170.8 | 166.7 | -172.6 | 0 | 0 | 108.3 | ||||
| 781 | P | 52.9 | Low | 37.2 | Very low | 120 Ų | 120 | 151.7 Ų | 151.7 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | trans | -96.6 | 157.4 | -172.4 | 37.3 | -34.7 | 0 | 0 | 0 | 113.3 | ||||
| 782 | L | 37.7 | Very low | 37.3 | Very low | 177 Ų | 177 | 146.7 Ų | 146.7 | 93% | 0.927 | 81% | 0.806 | S | S | * | * | trans | -134.8 | 126.8 | 171.4 | -89.2 | 167.5 | 0 | 0 | 0 | 112 | ||||
| 783 | D | 38.9 | Very low | 37.4 | Very low | 148 Ų | 148 | 144.3 Ų | 144.3 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -90.3 | 129 | 172.7 | -111.4 | -37.3 | 0 | 0 | 0 | 110.5 | ||||
| 784 | V | 36.7 | Very low | 37.5 | Very low | 140 Ų | 140 | 147.3 Ų | 147.3 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -142.3 | 143.4 | 157 | -173.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 785 | K | 38.2 | Very low | 37.3 | Very low | 173 Ų | 173 | 146.4 Ų | 146.4 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -111.2 | 168.6 | -175.4 | -60.4 | 176.7 | 179.3 | 174.7 | 0 | 111.8 | ||||
| 786 | R | 31.1 | Very low | 37.2 | Very low | 230 Ų | 230 | 147.9 Ų | 147.9 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | trans | 71.8 | 154.8 | 156.1 | -81.3 | -169.5 | -176.6 | -170.3 | 1.8 | 117.1 | ||||
| 787 | T | 33.1 | Very low | 37.3 | Very low | 107 Ų | 107 | 149.6 Ų | 149.6 | 66% | 0.656 | 80% | 0.801 | S | S | * | * | cis | -160.7 | -174.2 | -33.7 | 11.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 788 | E | 31.5 | Very low | 37.5 | Very low | 182 Ų | 182 | 146.2 Ų | 146.2 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | trans | 87.3 | 142.8 | 171.6 | -63.4 | 158 | -136.5 | 0 | 0 | 115.2 | ||||
| 789 | S | 37 | Very low | 38 | Very low | 99 Ų | 99 | 142.2 Ų | 142.2 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | cis | -156.9 | 166.2 | -6.5 | 47.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 790 | C | 36.6 | Very low | 38.4 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | 60.4 | 128 | 166 | -57.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 791 | D | 35.9 | Very low | 38.3 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | cis | 65.7 | 134.8 | 36.4 | -158.4 | 16.2 | 0 | 0 | 0 | 114.4 | ||||
| 792 | G | 35.1 | Very low | 37.8 | Very low | 67 Ų | 67 | 135.2 Ų | 135.2 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | trans | 144.5 | 81.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 793 | V | 33.8 | Very low | 38 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | trans | -55.7 | 167.9 | 157.8 | -65.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 794 | Q | 33.3 | Very low | 38.2 | Very low | 161 Ų | 161 | 134.3 Ų | 134.3 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | cis | -170.3 | 157.1 | 20.5 | -146.5 | 159.4 | 28.9 | 0 | 0 | 110.7 | ||||
| 795 | S | 42.5 | Very low | 38.8 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | 59 | 168 | 153.9 | 47.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 796 | M | 37.2 | Very low | 39 | Very low | 151 Ų | 151 | 136 Ų | 136 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | cis | -171.9 | 137.6 | -33.5 | 172.4 | -164.6 | 77 | 0 | 0 | 105.8 | V798 | M796-V798 HydrophobicContact CE-CG2 3.9Å; M796-V798 HydrophobicContact CG-CG2 3.49Å; M796-V798 VanDerWaalsContact CG-CG2 3.49Å; M796-V798 HydrophobicContact SD-CG2 3.6Å; M796-V798 VanDerWaalsContact SD-CG2 3.6Å | ||
| 797 | D | 39 | Very low | 39.4 | Very low | 162 Ų | 162 | 133.3 Ų | 133.3 | 87% | 0.866 | 77% | 0.767 | S | S | * | * | trans | -147.3 | 153.1 | 151.5 | -138.9 | -25.2 | 0 | 0 | 0 | 111.3 | ||||
| 798 | V | 42.8 | Very low | 39.6 | Very low | 91 Ų | 91 | 133.3 Ų | 133.3 | 55% | 0.552 | 77% | 0.771 | S | S | * | * | trans | -142.5 | 155.2 | -154.7 | -162.7 | 0 | 0 | 0 | 0 | 112.8 | M796 | M796-V798 HydrophobicContact CE-CG2 3.9Å; M796-V798 HydrophobicContact CG-CG2 3.49Å; M796-V798 VanDerWaalsContact CG-CG2 3.49Å; M796-V798 HydrophobicContact SD-CG2 3.6Å; M796-V798 VanDerWaalsContact SD-CG2 3.6Å | ||
| 799 | S | 44 | Very low | 39.9 | Very low | 104 Ų | 104 | 132.1 Ų | 132.1 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | 95.7 | 160.7 | 157.1 | -43.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 800 | P | 51.9 | Low | 40 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 84% | 0.844 | 77% | 0.771 | S | S | * | * | cis | -116.9 | 166.6 | -10.1 | 16.5 | 6.3 | 0 | 0 | 0 | 113.6 | ||||
| 801 | A | 34.9 | Very low | 40.3 | Very low | 103 Ų | 103 | 136 Ų | 136 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | trans | -117.6 | 156.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 802 | S | 43.2 | Very low | 40.2 | Very low | 107 Ų | 107 | 138.7 Ų | 138.7 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -145.6 | 115.9 | 156.1 | 56.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 803 | K | 42.1 | Very low | 40.5 | Very low | 160 Ų | 160 | 140.7 Ų | 140.7 | 70% | 0.696 | 78% | 0.777 | S | S | * | * | 54.9 | 129.3 | 99.1 | -67.6 | -175.7 | 152.4 | -72.4 | 0 | 113 | |||||
| 804 | E | 41.8 | Very low | 41.3 | Very low | 146 Ų | 146 | 140 Ų | 140 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | cis | -164.7 | 170.1 | -2.9 | -124.7 | 136.9 | -159.1 | 0 | 0 | 106.9 | ||||
| 805 | E | 50.5 | Low | 41 | Very low | 185 Ų | 185 | 138.8 Ų | 138.8 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | cis | -122.5 | -155.3 | 9.8 | -57.6 | 176.1 | 93.6 | 0 | 0 | 111.5 | ||||
| 806 | L | 41.9 | Very low | 41.2 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -137.4 | 144.1 | 172.2 | -70.7 | 171.1 | 0 | 0 | 0 | 110.9 | ||||
| 807 | I | 39.2 | Very low | 41.2 | Very low | 174 Ų | 174 | 143.1 Ų | 143.1 | 89% | 0.892 | 79% | 0.786 | S | S | * | * | trans | -130.6 | 122.2 | 157.8 | -57.5 | -178.8 | 0 | 0 | 0 | 107.7 | ||||
| 808 | S | 37.8 | Very low | 41.7 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 141.9 | -161.8 | -46.6 | 0 | 0 | 0 | 0 | 114.6 | ||
| 809 | I | 38.3 | Very low | 41.4 | Very low | 158 Ų | 158 | 147.4 Ų | 147.4 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 121.2 | 157.2 | -59.9 | 175 | 0 | 0 | 0 | 107.1 | ||
| 810 | P | 39.1 | Very low | 41.4 | Very low | 112 Ų | 112 | 149 Ų | 149 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 122.9 | 170.2 | -14.4 | 29.9 | 0 | 0 | 0 | 110.5 | ||
| 811 | E | 41.4 | Very low | 40.6 | Very low | 185 Ų | 185 | 146.4 Ų | 146.4 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 131.7 | 163.8 | -69.1 | -170.1 | 124.8 | 0 | 0 | 110.2 | ||
| 812 | Y | 33.8 | Very low | 40.8 | Very low | 218 Ų | 218 | 149.6 Ų | 149.6 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | trans | -147.8 | 106 | 157.6 | -99.5 | -80.1 | 0 | 0 | 0 | 109.9 | ||||
| 813 | S | 41.4 | Very low | 41.1 | Very low | 109 Ų | 109 | 151.4 Ų | 151.4 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -81.5 | 152.6 | 139.9 | -75 | 0 | 0 | 0 | 0 | 107 | ||||
| 814 | P | 50.9 | Low | 41.6 | Very low | 108 Ų | 108 | 146.9 Ų | 146.9 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | -150.1 | -160 | 50.4 | 40.6 | -18 | 0 | 0 | 0 | 116.1 | |||||
| 815 | N | 27.8 | Very low | 42.1 | Very low | 135 Ų | 135 | 146.4 Ų | 146.4 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | 87.7 | 119.6 | 162.7 | -63.3 | 0.7 | 0 | 0 | 0 | 118.7 | ||||
| 816 | N | 46.7 | Very low | 42.5 | Very low | 169 Ų | 169 | 143.3 Ų | 143.3 | 90% | 0.904 | 76% | 0.759 | S | S | * | * | trans | -77.9 | 126.8 | 149.5 | -67.1 | -67.1 | 0 | 0 | 0 | 107.7 | ||||
| 817 | E | 36.9 | Very low | 43.9 | Very low | 180 Ų | 180 | 140 Ų | 140 | 84% | 0.841 | 74% | 0.739 | S | S | * | * | trans | -142.5 | 145.3 | 164.1 | -138.9 | 159.6 | -142.6 | 0 | 0 | 109.8 | ||||
| 818 | I | 48.8 | Very low | 45.4 | Very low | 147 Ų | 147 | 134.2 Ų | 134.2 | 75% | 0.754 | 72% | 0.717 | S | S | * | * | trans | -106.5 | 98.4 | -163.8 | -59.2 | 170.1 | 0 | 0 | 0 | 109.6 | Q820 | I818-Q820 HydrophobicContact CG2-CG 4.02Š| ||
| 819 | E | 36.3 | Very low | 46.7 | Very low | 196 Ų | 196 | 133 Ų | 133 | 92% | 0.916 | 70% | 0.702 | S | S | * | * | trans | -99.4 | 100.1 | 159.9 | -74.4 | -137.8 | 129.9 | 0 | 0 | 110.5 | G821 | E819-G821 VanDerWaalsContact C-N 3.35Å; E819-G821 PolarHBondContact O-N 2.92Å | ||
| 820 | Q | 44.2 | Very low | 48.3 | Very low | 139 Ų | 139 | 131.4 Ų | 131.4 | 65% | 0.65 | 69% | 0.689 | S | S | * | * | trans | -72.1 | 91.6 | 166 | -74 | 177.5 | -20.4 | 0 | 0 | 109.2 | I818 F822 | I818-Q820 HydrophobicContact CG2-CG 4.02Å; Q820-F822 HydrophobicContact CB-CD2 3.84Å; Q820-F822 HydrophobicContact CB-CE2 3.6Å; Q820-F822 HydrophobicContact CB-CZ 4.38Å; Q820-F822 HydrophobicContact CG-CE2 4.45Å; Q820-F822 VanDerWaalsContact O-CD2 3.25Å; Q820-F822 WeakPolarHBondContact O-CD2 3.42Å; Q820-F822 PolarHBondContact O-N 2.96Å; Q820-F822 VanDerWaalsContact OE1-CE2 3.24Å | ||
| 821 | G | 35.5 | Very low | 49.9 | Very low | 74 Ų | 74 | 129.6 Ų | 129.6 | 76% | 0.763 | 67% | 0.674 | S | S | * | * | trans | -63.4 | 83.8 | 166 | 0 | 0 | 0 | 0 | 0 | 110.8 | E819 M823 | E819-G821 VanDerWaalsContact C-N 3.35Å; E819-G821 PolarHBondContact O-N 2.92Å; G821-M823 VanDerWaalsContact C-N 3.27Å; G821-M823 PolarHBondContact O-N 2.81Å | ||
| 822 | F | 39.9 | Very low | 51.6 | Low | 170 Ų | 170 | 125.5 Ų | 125.5 | 75% | 0.746 | 66% | 0.657 | S | S | * | * | trans | -66.1 | 80 | 179.8 | -83.9 | -86 | 0 | 0 | 0 | 111.6 | Q820 S824 | Q820-F822 HydrophobicContact CB-CD2 3.84Å; Q820-F822 HydrophobicContact CB-CE2 3.6Å; Q820-F822 HydrophobicContact CB-CZ 4.38Å; Q820-F822 HydrophobicContact CG-CE2 4.45Å; Q820-F822 VanDerWaalsContact O-CD2 3.25Å; Q820-F822 WeakPolarHBondContact O-CD2 3.42Å; Q820-F822 PolarHBondContact O-N 2.96Å; Q820-F822 VanDerWaalsContact OE1-CE2 3.24Å; F822-S824 VanDerWaalsContact C-N 3.29Å; F822-S824 PolarHBondContact O-N 3.39Å | ||
| 823 | M | 48.1 | Very low | 53.4 | Low | 145 Ų | 145 | 122 Ų | 122 | 71% | 0.714 | 65% | 0.65 | S | S | * | * | trans | -63.7 | 95.9 | 156.6 | -70.1 | -156.6 | 75.5 | 0 | 0 | 108.1 | G821 H825 | G821-M823 VanDerWaalsContact C-N 3.27Å; G821-M823 PolarHBondContact O-N 2.81Å; M823-H825 PolarHBondContact O-N 3.22Å | ||
| 824 | S | 52.9 | Low | 54.7 | Low | 65 Ų | 65 | 122.4 Ų | 122.4 | 46% | 0.455 | 64% | 0.644 | S | S | . | * | trans | -50.9 | 130.7 | 178 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | F822 N826 Q827 | F822-S824 VanDerWaalsContact C-N 3.29Å; F822-S824 PolarHBondContact O-N 3.39Å; S824-N826 PolarHBondContact O-N 2.91Å; S824-N826 PolarHBondContact OG-ND2 3.01Å; S824-Q827 PolarHBondContact O-N 3.46Å | ||
| 825 | H | 52.2 | Low | 55.4 | Low | 136 Ų | 136 | 124.7 Ų | 124.7 | 63% | 0.63 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -52.6 | -26.1 | 179.8 | -168.6 | -34.9 | 0 | 0 | 0 | 112.4 | M823 L829 | M823-H825 PolarHBondContact O-N 3.22Å; H825-L829 WeakPolarHBondContact ND1-CD1 3.44Å; H825-L829 WeakPolarHBondContact O-CB 3.42Å; H825-L829 WeakPolarHBondContact O-CG 3.34Å; H825-L829 PolarHBondContact O-N 3.03Å |
| 826 | N | 59.3 | Low | 57.1 | Low | 120 Ų | 120 | 122.1 Ų | 122.1 | 64% | 0.642 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.4 | -34.3 | 175 | -66.5 | -81.5 | 0 | 0 | 0 | 113.6 | S824 K830 | S824-N826 PolarHBondContact O-N 2.91Å; S824-N826 PolarHBondContact OG-ND2 3.01Å; N826-K830 WeakPolarHBondContact O-CB 3.43Å; N826-K830 PolarHBondContact O-N 3.09Å |
| 827 | Q | 70.8 | Confident | 57.1 | Low | 94 Ų | 94 | 116.7 Ų | 116.7 | 44% | 0.439 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -72.3 | -46.1 | 176.9 | -170.5 | 61.5 | 47.2 | 0 | 0 | 110.6 | S824 L829 K830 D831 | S824-Q827 PolarHBondContact O-N 3.46Å; Q827-L829 VanDerWaalsContact C-N 3.28Å; Q827-L829 PolarHBondContact O-N 2.9Å; Q827-K830 WeakPolarHBondContact O-CA 3.43Å; Q827-K830 WeakPolarHBondContact O-CB 3.38Å; Q827-K830 PolarHBondContact O-N 2.9Å; Q827-D831 PolarHBondContact NE2-OD1 3.37Å; Q827-D831 VanDerWaalsContact O-CG 3.28Å; Q827-D831 PolarHBondContact O-N 3.31Å |
| 828 | A | 70.5 | Confident | 57.6 | Low | 52 Ų | 52 | 113.4 Ų | 113.4 | 43% | 0.43 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -61 | -35.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L832 | A828-L832 VanDerWaalsContact O-CB 3.27Å; A828-L832 WeakPolarHBondContact O-CB 3.45Å; A828-L832 PolarHBondContact O-N 2.78Å; A828-L832 VanDerWaalsContact O-N 3.15Å |
| 829 | L | 66.5 | Low | 57.1 | Low | 81 Ų | 81 | 111 Ų | 111 | 42% | 0.424 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.6 | -35.3 | 171.1 | -80.7 | 170.7 | 0 | 0 | 0 | 112.8 | H825 Q827 M833 | H825-L829 WeakPolarHBondContact ND1-CD1 3.44Å; H825-L829 WeakPolarHBondContact O-CB 3.42Å; H825-L829 WeakPolarHBondContact O-CG 3.34Å; H825-L829 PolarHBondContact O-N 3.03Å; Q827-L829 VanDerWaalsContact C-N 3.28Å; Q827-L829 PolarHBondContact O-N 2.9Å; L829-M833 WeakPolarHBondContact O-CG 3.49Å; L829-M833 PolarHBondContact O-N 3.24Å |
| 830 | K | 71.4 | Confident | 57.1 | Low | 124 Ų | 124 | 108 Ų | 108 | 54% | 0.539 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -71.1 | -49.1 | 179 | -172.8 | 160.2 | -174.7 | 173.8 | 0 | 111.5 | N826 Q827 L832 M833 D834 | N826-K830 WeakPolarHBondContact O-CB 3.43Å; N826-K830 PolarHBondContact O-N 3.09Å; Q827-K830 WeakPolarHBondContact O-CA 3.43Å; Q827-K830 WeakPolarHBondContact O-CB 3.38Å; Q827-K830 PolarHBondContact O-N 2.9Å; K830-L832 PolarHBondContact O-N 3.36Å; K830-M833 PolarHBondContact O-N 2.79Å; K830-D834 PolarHBondContact O-N 2.99Å |
| 831 | D | 73.1 | Confident | 56.8 | Low | 75 Ų | 75 | 109.2 Ų | 109.2 | 40% | 0.401 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -56.3 | -37.5 | 175 | -59.4 | -7.2 | 0 | 0 | 0 | 110.9 | Q827 L835 | Q827-D831 PolarHBondContact NE2-OD1 3.37Å; Q827-D831 VanDerWaalsContact O-CG 3.28Å; Q827-D831 PolarHBondContact O-N 3.31Å; D831-L835 WeakPolarHBondContact O-CB 3.4Å; D831-L835 PolarHBondContact O-N 3.12Å |
| 832 | L | 76.4 | Confident | 56.8 | Low | 99 Ų | 99 | 112.2 Ų | 112.2 | 52% | 0.518 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -68.7 | -39.8 | 174.7 | -178.7 | 62.1 | 0 | 0 | 0 | 113.1 | A828 K830 L835 T836 | A828-L832 VanDerWaalsContact O-CB 3.27Å; A828-L832 WeakPolarHBondContact O-CB 3.45Å; A828-L832 PolarHBondContact O-N 2.78Å; A828-L832 VanDerWaalsContact O-N 3.15Å; K830-L832 PolarHBondContact O-N 3.36Å; L832-L835 PolarHBondContact O-N 2.71Å; L832-T836 VanDerWaalsContact O-CB 3.3Å; L832-T836 WeakPolarHBondContact O-CB 3.49Å; L832-T836 PolarHBondContact O-N 2.99Å; L832-T836 VanDerWaalsContact O-N 3.1Å; L832-T836 PolarHBondContact O-OG1 3.07Å |
| 833 | M | 70.9 | Confident | 56.5 | Low | 143 Ų | 143 | 114 Ų | 114 | 70% | 0.704 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.9 | -39.8 | 176.2 | -80.3 | -164.1 | 159 | 0 | 0 | 112.2 | L829 K830 L835 T836 G837 | L829-M833 WeakPolarHBondContact O-CG 3.49Å; L829-M833 PolarHBondContact O-N 3.24Å; K830-M833 PolarHBondContact O-N 2.79Å; M833-L835 VanDerWaalsContact C-N 3.26Å; M833-L835 PolarHBondContact O-N 3.4Å; M833-T836 PolarHBondContact O-N 3.29Å; M833-T836 VanDerWaalsContact O-N 3.08Å; M833-G837 PolarHBondContact O-N 3.42Å |
| 834 | D | 68.6 | Low | 55.9 | Low | 119 Ų | 119 | 114.7 Ų | 114.7 | 64% | 0.636 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65.7 | -31.1 | 175.8 | -66.8 | -21.9 | 0 | 0 | 0 | 111 | K830 | K830-D834 PolarHBondContact O-N 2.99Å |
| 835 | L | 67.1 | Low | 55.4 | Low | 155 Ų | 155 | 117.6 Ų | 117.6 | 81% | 0.812 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72.8 | -26.8 | 170.1 | -126.9 | 75.4 | 0 | 0 | 0 | 114.5 | D831 L832 M833 | D831-L835 WeakPolarHBondContact O-CB 3.4Å; D831-L835 PolarHBondContact O-N 3.12Å; L832-L835 PolarHBondContact O-N 2.71Å; M833-L835 VanDerWaalsContact C-N 3.26Å; M833-L835 PolarHBondContact O-N 3.4Å |
| 836 | T | 63.1 | Low | 54.9 | Low | 81 Ų | 81 | 116.9 Ų | 116.9 | 50% | 0.497 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -99.7 | -9.7 | -167.2 | -55.3 | 0 | 0 | 0 | 0 | 113.5 | L832 M833 | L832-T836 VanDerWaalsContact O-CB 3.3Å; L832-T836 WeakPolarHBondContact O-CB 3.49Å; L832-T836 PolarHBondContact O-N 2.99Å; L832-T836 VanDerWaalsContact O-N 3.1Å; L832-T836 PolarHBondContact O-OG1 3.07Å; M833-T836 PolarHBondContact O-N 3.29Å; M833-T836 VanDerWaalsContact O-N 3.08Å |
| 837 | G | 46.8 | Very low | 53.7 | Low | 56 Ų | 56 | 120.4 Ų | 120.4 | 58% | 0.577 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.2 | 43 | 165.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | M833 | M833-G837 PolarHBondContact O-N 3.42Š|
| 838 | S | 46.2 | Very low | 52.2 | Low | 111 Ų | 111 | 120.9 Ų | 120.9 | 78% | 0.776 | 68% | 0.683 | S | S | * | * | trans | 55 | 58.6 | 168 | 62.2 | 0 | 0 | 0 | 0 | 117 | T840 | S838-T840 PolarHBondContact O-N 3.12Š| ||
| 839 | V | 39.5 | Very low | 50.5 | Low | 95 Ų | 95 | 124.8 Ų | 124.8 | 58% | 0.576 | 70% | 0.702 | S | S | * | * | trans | -72.5 | 112.3 | 164 | -174.8 | 0 | 0 | 0 | 0 | 109.8 | H841 | V839-H841 WeakPolarHBondContact CG1-NE2 3.35Å; V839-H841 PolarHBondContact O-N 3.37Å | ||
| 840 | T | 36.4 | Very low | 49.7 | Very low | 135 Ų | 135 | 129.5 Ų | 129.5 | 83% | 0.828 | 73% | 0.726 | S | S | * | * | trans | -75.1 | 89.8 | -179.9 | 51 | 0 | 0 | 0 | 0 | 111.9 | S838 | S838-T840 PolarHBondContact O-N 3.12Š| ||
| 841 | H | 37 | Very low | 48 | Very low | 164 Ų | 164 | 126.3 Ų | 126.3 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 125.6 | 168.5 | -69.9 | -73.2 | 0 | 0 | 0 | 111.5 | V839 K843 | V839-H841 WeakPolarHBondContact CG1-NE2 3.35Å; V839-H841 PolarHBondContact O-N 3.37Å; H841-K843 PolarHBondContact O-N 2.84Å |
| 842 | T | 35 | Very low | 46.4 | Very low | 137 Ų | 137 | 128.8 Ų | 128.8 | 84% | 0.84 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 125.3 | 175.1 | 46.1 | 0 | 0 | 0 | 0 | 111.3 | L844 | T842-L844 PolarHBondContact O-N 3.5Š|
| 843 | K | 33.6 | Very low | 44.8 | Very low | 207 Ų | 207 | 130.7 Ų | 130.7 | 90% | 0.9 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 132.8 | 172 | -88 | -176.5 | 171.8 | -179.2 | 0 | 111.7 | H841 | H841-K843 PolarHBondContact O-N 2.84Š|
| 844 | L | 36.3 | Very low | 43.7 | Very low | 160 Ų | 160 | 130.4 Ų | 130.4 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | trans | -122.2 | 150 | 146.6 | -71.4 | 176.3 | 0 | 0 | 0 | 107.7 | T842 | T842-L844 PolarHBondContact O-N 3.5Š| ||
| 845 | P | 42.5 | Very low | 43 | Very low | 125 Ų | 125 | 132.8 Ų | 132.8 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | -74.2 | 151.9 | -170.2 | 29.8 | -35.2 | 0 | 0 | 0 | 112.9 | ||||
| 846 | S | 41.7 | Very low | 42 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -81.9 | 137.3 | 172.3 | 52.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 847 | E | 34.5 | Very low | 41.2 | Very low | 195 Ų | 195 | 137.2 Ų | 137.2 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | trans | -138.4 | 134.4 | 157.8 | -167.9 | 155.4 | -141.6 | 0 | 0 | 110.7 | ||||
| 848 | S | 39.5 | Very low | 41.1 | Very low | 103 Ų | 103 | 140.9 Ų | 140.9 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | -100.1 | 135.9 | -179.8 | 53.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 849 | T | 35 | Very low | 40.6 | Very low | 134 Ų | 134 | 147.4 Ų | 147.4 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -162.7 | 133.5 | 147.2 | -80.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 850 | I | 48.5 | Very low | 40.4 | Very low | 181 Ų | 181 | 146.6 Ų | 146.6 | 93% | 0.928 | 81% | 0.812 | S | S | * | * | trans | -87.5 | 119.8 | 161.6 | -73.3 | 170.1 | 0 | 0 | 0 | 106.7 | ||||
| 851 | G | 35.9 | Very low | 40.7 | Very low | 57 Ų | 57 | 147.2 Ų | 147.2 | 59% | 0.588 | 82% | 0.815 | S | S | * | * | trans | -174 | 108.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 852 | D | 39.2 | Very low | 40.6 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 67% | 0.674 | 82% | 0.815 | S | S | * | * | trans | 49 | 73.1 | 141 | -157.9 | 18.1 | 0 | 0 | 0 | 119.2 | N854 | D852-N854 PolarHBondContact O-N 2.88Š| ||
| 853 | C | 42.9 | Very low | 40.9 | Very low | 140 Ų | 140 | 143 Ų | 143 | 95% | 0.946 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -73.2 | 49.7 | 173.7 | -61 | 0 | 0 | 0 | 0 | 114.5 | ||
| 854 | N | 49.3 | Very low | 41.5 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -150.5 | 46.8 | -179.4 | -156.1 | 5.4 | 0 | 0 | 0 | 117.5 | D852 | D852-N854 PolarHBondContact O-N 2.88Š| ||
| 855 | K | 53.9 | Low | 41.3 | Very low | 170 Ų | 170 | 139.4 Ų | 139.4 | 74% | 0.739 | 80% | 0.798 | S | S | * | * | trans | -138.5 | 158.6 | 164 | -66.9 | -173.8 | -177.5 | 162.7 | 0 | 112.4 | ||||
| 856 | N | 45.1 | Very low | 41.9 | Very low | 165 Ų | 165 | 139.7 Ų | 139.7 | 88% | 0.882 | 80% | 0.798 | S | S | * | * | trans | 75.1 | 51.4 | 174.9 | -50.9 | -25.4 | 0 | 0 | 0 | 116.8 | ||||
| 857 | L | 45.8 | Very low | 41.3 | Very low | 163 Ų | 163 | 140.3 Ų | 140.3 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -67.4 | 154.7 | 138.7 | -165.3 | 73.5 | 0 | 0 | 0 | 108.9 | ||||
| 858 | I | 45.6 | Very low | 41.8 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 69% | 0.687 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 86.4 | 113.1 | 167.3 | -49.9 | -177.5 | 0 | 0 | 0 | 117.5 | ||
| 859 | R | 36.3 | Very low | 42 | Very low | 248 Ų | 248 | 138.4 Ų | 138.4 | 94% | 0.936 | 78% | 0.778 | S | S | * | * | trans | 57.6 | 131.3 | 154 | -67.6 | 173.4 | 178 | -153.8 | -0.6 | 120.2 | ||||
| 860 | G | 34.3 | Very low | 42.4 | Very low | 78 Ų | 78 | 138.3 Ų | 138.3 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | 168.4 | 99.2 | 158.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 861 | V | 43.3 | Very low | 41.7 | Very low | 148 Ų | 148 | 137.3 Ų | 137.3 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | trans | -76 | 129.3 | 170.8 | -173.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 862 | V | 33.8 | Very low | 41.6 | Very low | 127 Ų | 127 | 137.7 Ų | 137.7 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | -177.9 | 143.4 | 138.8 | 140.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 863 | S | 41.3 | Very low | 41.3 | Very low | 86 Ų | 86 | 138.2 Ų | 138.2 | 60% | 0.601 | 78% | 0.778 | S | S | * | * | trans | -127.8 | 128.4 | 166.8 | -55.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 864 | P | 47.3 | Very low | 41 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | trans | -86.9 | 100.2 | 150.7 | 30.5 | -22.2 | 0 | 0 | 0 | 106.8 | ||||
| 865 | M | 30.8 | Very low | 41 | Very low | 172 Ų | 172 | 134.7 Ų | 134.7 | 85% | 0.847 | 77% | 0.769 | S | S | * | * | 54.8 | 115.7 | 88.9 | -70 | -169.5 | 72.4 | 0 | 0 | 113.2 | |||||
| 866 | T | 56.3 | Low | 41 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | trans | -63.4 | 162.3 | 166.1 | 48.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 867 | D | 29.8 | Very low | 40.4 | Very low | 134 Ų | 134 | 130 Ų | 130 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | trans | -136.1 | 123.3 | 142.1 | -148.7 | -1.1 | 0 | 0 | 0 | 109.9 | K869 | D867-K869 IonicContact OD1-NZ 2.64Å; D867-K869 PolarHBondContact OD1-NZ 2.99Å | ||
| 868 | S | 44.8 | Very low | 40.1 | Very low | 86 Ų | 86 | 126.2 Ų | 126.2 | 60% | 0.601 | 75% | 0.754 | S | S | * | * | trans | -124.5 | 126.1 | 175.7 | 166.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 869 | K | 42.3 | Very low | 39.6 | Very low | 171 Ų | 171 | 127.2 Ų | 127.2 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | trans | -168.3 | 154 | 161.9 | -88.3 | 118.8 | -150.9 | 163.2 | 0 | 111.2 | D867 | D867-K869 IonicContact OD1-NZ 2.64Å; D867-K869 PolarHBondContact OD1-NZ 2.99Å | ||
| 870 | L | 43 | Very low | 40.1 | Very low | 132 Ų | 132 | 124.7 Ų | 124.7 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | cis | -174.5 | -177.7 | -34.2 | -144.5 | 80.4 | 0 | 0 | 0 | 108 | ||||
| 871 | I | 34.7 | Very low | 40.5 | Very low | 160 Ų | 160 | 129.4 Ų | 129.4 | 82% | 0.821 | 76% | 0.763 | S | S | * | * | trans | 72.7 | 136 | 166 | -52.3 | 128.2 | 0 | 0 | 0 | 113.7 | ||||
| 872 | G | 32.8 | Very low | 40.2 | Very low | 65 Ų | 65 | 127.1 Ų | 127.1 | 67% | 0.67 | 75% | 0.753 | S | S | * | * | cis | -170 | -176.1 | -2.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 873 | V | 33 | Very low | 40.5 | Very low | 138 Ų | 138 | 131.7 Ų | 131.7 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | cis | -154.1 | 144.5 | 19.5 | 166.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 874 | A | 37.4 | Very low | 40.5 | Very low | 88 Ų | 88 | 134 Ų | 134 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -111.9 | 156.8 | 154.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 875 | P | 50.1 | Low | 40.1 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | -155.1 | -137.6 | 61.3 | 45.7 | -22.9 | 0 | 0 | 0 | 110.7 | |||||
| 876 | P | 53.1 | Low | 40.6 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | cis | -124.4 | 169.8 | -34.1 | 38 | -24.2 | 0 | 0 | 0 | 113.2 | ||||
| 877 | S | 32.3 | Very low | 39.7 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | 168.7 | 155 | 115.3 | -164.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 878 | S | 40.7 | Very low | 40.3 | Very low | 84 Ų | 84 | 132.8 Ų | 132.8 | 59% | 0.587 | 79% | 0.792 | S | S | * | * | trans | -98.2 | 145.8 | 177.1 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 879 | N | 34 | Very low | 40.1 | Very low | 156 Ų | 156 | 135.9 Ų | 135.9 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | -174 | 158.4 | 109.9 | -90.2 | -26 | 0 | 0 | 0 | 114.8 | |||||
| 880 | K | 47.7 | Very low | 39.9 | Very low | 195 Ų | 195 | 133.4 Ų | 133.4 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | -84.1 | 155.3 | 177.7 | -49 | 174.1 | -176.3 | 179.1 | 0 | 110.4 | ||||
| 881 | L | 41.4 | Very low | 39.6 | Very low | 176 Ų | 176 | 133.5 Ų | 133.5 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -158.4 | 162.8 | 131.9 | -113 | 168.2 | 0 | 0 | 0 | 110.3 | ||||
| 882 | S | 37.1 | Very low | 40.1 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 70% | 0.699 | 82% | 0.817 | S | S | * | * | trans | -122.5 | 133.2 | -177.4 | 53.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 883 | V | 41.2 | Very low | 40.7 | Very low | 224 Ų | 224 | 137.3 Ų | 137.3 | 100% | 1.358 | 83% | 0.831 | S | S | * | * | trans | -138.2 | 0 | 149.6 | -178.4 | 0 | 0 | 0 | 0 | 106.1 |
Retrieved 883 of 883 residues in 152.2 ms
(Link to these results)