| 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 | 36.3 | Very low | 36 | Very low | 224 Ų | 224 | 149.5 Ų | 149.5 | 100% | 1.103 | 79% | 0.785 | S | S | * | * | 0 | 111.7 | 0 | -63.6 | 160.3 | -171.6 | 0 | 0 | 105.5 | |||||
| 2 | F | 33.4 | Very low | 35.6 | Very low | 205 Ų | 205 | 150.3 Ų | 150.3 | 90% | 0.899 | 79% | 0.791 | S | S | * | * | 63 | 128.2 | 98 | -69.3 | -65.4 | 0 | 0 | 0 | 112.7 | |||||
| 3 | S | 32.7 | Very low | 35.4 | Very low | 102 Ų | 102 | 145.5 Ų | 145.5 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | cis | -146.7 | 158.7 | 4.2 | -170.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 4 | C | 37.7 | Very low | 35 | Very low | 107 Ų | 107 | 149.3 Ų | 149.3 | 72% | 0.723 | 78% | 0.784 | S | S | * | * | trans | -70.5 | 157.9 | 156.3 | -69.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 5 | F | 41.3 | Very low | 34.8 | Very low | 190 Ų | 190 | 145.7 Ų | 145.7 | 83% | 0.833 | 78% | 0.776 | S | S | * | * | trans | -132.8 | 129.4 | 151.5 | -136.7 | -91.5 | 0 | 0 | 0 | 108.8 | F7 | F5-F7 HydrophobicContact CE1-CE2 4.38Š| ||
| 6 | C | 36.8 | Very low | 34.5 | Very low | 107 Ų | 107 | 142.8 Ų | 142.8 | 72% | 0.723 | 77% | 0.771 | S | S | * | * | trans | -99.6 | 155.6 | 173.6 | -60.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 7 | F | 35.8 | Very low | 34.4 | Very low | 195 Ų | 195 | 141.4 Ų | 141.4 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | trans | -122 | 142.9 | 156.1 | -112.5 | -87.9 | 0 | 0 | 0 | 109.8 | F5 | F5-F7 HydrophobicContact CE1-CE2 4.38Š| ||
| 8 | S | 33.5 | Very low | 34.4 | Very low | 92 Ų | 92 | 141.1 Ų | 141.1 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | trans | -162.9 | 156.1 | -174.2 | -171.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 9 | L | 38.5 | Very low | 34.4 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 72% | 0.723 | 77% | 0.767 | S | S | * | * | trans | 68.8 | 154.4 | 177.6 | -44.1 | 178.9 | 0 | 0 | 0 | 113.7 | ||||
| 10 | Q | 32.9 | Very low | 34.6 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | cis | -148 | 159.9 | -4.5 | -161.9 | 85.2 | 49.5 | 0 | 0 | 108.5 | ||||
| 11 | D | 37.8 | Very low | 34.6 | Very low | 135 Ų | 135 | 141.3 Ų | 141.3 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | -58.4 | 145.5 | 154.8 | -55.8 | -94 | 0 | 0 | 0 | 111.7 | ||||
| 12 | N | 30.7 | Very low | 34.4 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | -171.6 | 155.5 | 121.5 | -102.1 | -44.7 | 0 | 0 | 0 | 115 | |||||
| 13 | S | 32.7 | Very low | 34.4 | Very low | 87 Ų | 87 | 134 Ų | 134 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | trans | -57.1 | 145.5 | 169.2 | 170.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 14 | F | 30.7 | Very low | 34.5 | Very low | 199 Ų | 199 | 138.5 Ų | 138.5 | 87% | 0.873 | 77% | 0.767 | S | S | * | * | -171 | 176 | 109.2 | -104.9 | -71.6 | 0 | 0 | 0 | 112.9 | |||||
| 15 | S | 30.9 | Very low | 34.4 | Very low | 95 Ų | 95 | 140.6 Ų | 140.6 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | trans | -107.3 | 176.5 | -163.2 | 60.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 16 | S | 30.9 | Very low | 35.1 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | trans | 101 | 109.2 | 151.5 | -52.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 17 | T | 32.5 | Very low | 34.8 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | 68.7 | 99.3 | 123 | -42.9 | 0 | 0 | 0 | 0 | 121.6 | V19 | T17-V19 HydrophobicContact CG2-CG2 3.92Š| |||
| 18 | T | 34.4 | Very low | 34.8 | Very low | 136 Ų | 136 | 133.5 Ų | 133.5 | 83% | 0.834 | 76% | 0.762 | S | S | * | * | trans | -142.6 | 132.6 | 132.6 | 49.6 | 0 | 0 | 0 | 0 | 106 | ||||
| 19 | V | 34.1 | Very low | 34.8 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 67% | 0.673 | 77% | 0.769 | S | S | * | * | cis | 69.7 | 92.6 | 34.3 | -172.6 | 0 | 0 | 0 | 0 | 113.1 | T17 | T17-V19 HydrophobicContact CG2-CG2 3.92Š| ||
| 20 | T | 38.2 | Very low | 34.6 | Very low | 138 Ų | 138 | 138.6 Ų | 138.6 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | trans | -147.5 | 130.2 | 150.8 | 45.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 21 | E | 34.8 | Very low | 35 | Very low | 179 Ų | 179 | 139 Ų | 139 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | trans | -87 | 164.2 | -179.5 | -64.9 | 146.9 | 114.5 | 0 | 0 | 112.7 | ||||
| 22 | C | 32.3 | Very low | 35.1 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | 159.7 | 97.3 | 148.6 | -88.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 23 | D | 32.3 | Very low | 35.5 | Very low | 148 Ų | 148 | 140.4 Ų | 140.4 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | 83 | 89.9 | 57.7 | -167.2 | -9.2 | 0 | 0 | 0 | 112.5 | |||||
| 24 | E | 35.9 | Very low | 35.7 | Very low | 196 Ų | 196 | 143.1 Ų | 143.1 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | trans | -156.8 | 115.7 | 139.5 | 46.5 | -169.2 | 115.7 | 0 | 0 | 110.9 | ||||
| 25 | D | 36.2 | Very low | 36.2 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | trans | -101.8 | -179 | 176.7 | -135 | -8.6 | 0 | 0 | 0 | 109 | ||||
| 26 | P | 54.6 | Low | 36.2 | Very low | 99 Ų | 99 | 142.2 Ų | 142.2 | 64% | 0.643 | 80% | 0.799 | S | S | * | * | cis | -131.4 | -169.2 | -21.5 | 33.4 | -12.7 | 0 | 0 | 0 | 112.6 | ||||
| 27 | V | 31 | Very low | 36.6 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | 164.8 | 141.5 | 122.6 | 155.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 28 | S | 35.3 | Very low | 36.5 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | 80.3 | 96.4 | 165.3 | -149.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 29 | L | 33.8 | Very low | 36.5 | Very low | 150 Ų | 150 | 144.1 Ų | 144.1 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -57.7 | 152.4 | 150.7 | -61.4 | 156.8 | 0 | 0 | 0 | 111.4 | ||||
| 30 | H | 34 | Very low | 36.8 | Very low | 187 Ų | 187 | 148.3 Ų | 148.3 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | -153.9 | 136.4 | 119.3 | -158.1 | -77.7 | 0 | 0 | 0 | 109.1 | |||||
| 31 | E | 41.9 | Very low | 36.6 | Very low | 158 Ų | 158 | 148.7 Ų | 148.7 | 74% | 0.738 | 81% | 0.81 | S | S | * | * | trans | -92.4 | 154.9 | 177.2 | -62.2 | 159.2 | 101.3 | 0 | 0 | 110 | ||||
| 32 | D | 40.8 | Very low | 37 | Very low | 165 Ų | 165 | 147.5 Ų | 147.5 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | trans | -152.2 | 162.6 | 137.3 | -145 | -14.5 | 0 | 0 | 0 | 111.1 | ||||
| 33 | Q | 39.4 | Very low | 37.3 | Very low | 158 Ų | 158 | 148.3 Ų | 148.3 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | trans | -130.5 | 141.1 | -157.4 | 173.4 | 177.6 | 94.6 | 0 | 0 | 110.9 | ||||
| 34 | T | 35.8 | Very low | 37.4 | Very low | 144 Ų | 144 | 148.2 Ų | 148.2 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | -162.2 | 133.6 | 155.4 | -4.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 35 | D | 41.8 | Very low | 37.7 | Very low | 136 Ų | 136 | 145.8 Ų | 145.8 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -77.5 | 152.3 | 177.6 | -63.6 | -83.6 | 0 | 0 | 0 | 113.6 | ||||
| 36 | C | 31.1 | Very low | 37.8 | Very low | 139 Ų | 139 | 145.7 Ų | 145.7 | 94% | 0.939 | 78% | 0.781 | S | S | * | * | trans | -156.4 | 124.6 | 139.1 | -102 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 37 | S | 38.2 | Very low | 36.9 | Very low | 121 Ų | 121 | 148.7 Ų | 148.7 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -116.8 | 138.5 | 169.8 | -68.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 38 | S | 31.8 | Very low | 37.1 | Very low | 110 Ų | 110 | 152.6 Ų | 152.6 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -180 | 158.4 | 136.9 | -150.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 39 | L | 34 | Very low | 37.8 | Very low | 164 Ų | 164 | 152.7 Ų | 152.7 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | 76.5 | 159.7 | 155.4 | -81.3 | 158.7 | 0 | 0 | 0 | 120.9 | ||||
| 40 | R | 39.5 | Very low | 37.7 | Very low | 199 Ų | 199 | 153.4 Ų | 153.4 | 75% | 0.751 | 80% | 0.796 | S | S | * | * | trans | -129.1 | 152.2 | -155.9 | -60.7 | 170.2 | 169 | -105.9 | 3.2 | 112 | ||||
| 41 | D | 35.2 | Very low | 37.6 | Very low | 146 Ų | 146 | 148.7 Ų | 148.7 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | -179 | 136.3 | 107.1 | -86.6 | -17.5 | 0 | 0 | 0 | 107.1 | |||||
| 42 | E | 42.2 | Very low | 37 | Very low | 153 Ų | 153 | 145.1 Ų | 145.1 | 72% | 0.715 | 79% | 0.794 | S | S | * | * | cis | 74.7 | 139.1 | 37.7 | -66.1 | -68.5 | 91.7 | 0 | 0 | 115.8 | ||||
| 43 | N | 39.1 | Very low | 36.6 | Very low | 146 Ų | 146 | 142 Ų | 142 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | trans | 72.5 | 135.4 | 172.4 | -132.6 | 22.9 | 0 | 0 | 0 | 116.2 | ||||
| 44 | N | 33.3 | Very low | 36.2 | Very low | 145 Ų | 145 | 142.5 Ų | 142.5 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | cis | -149.1 | 165.4 | -5.8 | -156.1 | -5.7 | 0 | 0 | 0 | 111.4 | ||||
| 45 | K | 42.8 | Very low | 36.2 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 64% | 0.635 | 79% | 0.788 | S | S | * | * | trans | -147.6 | 139.1 | -178 | -176.9 | 169.1 | 176.9 | -82.5 | 0 | 112 | ||||
| 46 | E | 38.3 | Very low | 35.7 | Very low | 149 Ų | 149 | 142.6 Ų | 142.6 | 70% | 0.696 | 79% | 0.792 | S | S | * | * | trans | 60.9 | 129.5 | 164.8 | -73.9 | 155 | 176.3 | 0 | 0 | 120.4 | ||||
| 47 | N | 35.9 | Very low | 35.7 | Very low | 161 Ų | 161 | 142.9 Ų | 142.9 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | trans | -153.2 | 166.5 | 132.8 | -134.4 | -69.5 | 0 | 0 | 0 | 113.6 | ||||
| 48 | Y | 35.4 | Very low | 35.4 | Very low | 217 Ų | 217 | 145 Ų | 145 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | trans | -100.3 | 168.9 | -177.5 | -114.1 | -117.4 | 0 | 0 | 0 | 111.6 | ||||
| 49 | P | 49.1 | Very low | 35.5 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -100.2 | 144.3 | 171.4 | 36.5 | -30.8 | 0 | 0 | 0 | 113.5 | ||||
| 50 | D | 32 | Very low | 35.8 | Very low | 165 Ų | 165 | 142.1 Ų | 142.1 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | trans | -164.6 | 166.5 | 145.3 | -155 | 7.1 | 0 | 0 | 0 | 113.7 | ||||
| 51 | A | 31 | Very low | 36.1 | Very low | 87 Ų | 87 | 137.9 Ų | 137.9 | 72% | 0.719 | 77% | 0.77 | S | S | * | * | trans | 60.9 | 89.9 | 152 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 52 | G | 30.5 | Very low | 35.6 | Very low | 83 Ų | 83 | 136.5 Ų | 136.5 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | trans | -90.8 | -166.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 53 | A | 32.9 | Very low | 34.9 | Very low | 100 Ų | 100 | 140.8 Ų | 140.8 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | trans | -172.4 | 117.3 | 159.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 54 | L | 30.6 | Very low | 34.4 | Very low | 168 Ų | 168 | 142.1 Ų | 142.1 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | trans | 62.2 | 145.5 | 136.2 | -142.3 | 72.2 | 0 | 0 | 0 | 124 | ||||
| 55 | V | 34.8 | Very low | 34.6 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 66% | 0.655 | 79% | 0.788 | S | S | * | * | trans | 96.8 | 116 | 156 | -173.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 56 | E | 31.3 | Very low | 34 | Very low | 175 Ų | 175 | 143.7 Ų | 143.7 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | 40.5 | 150.9 | 145.3 | -69.5 | 169.2 | 152.2 | 0 | 0 | 122.6 | ||||
| 57 | E | 31 | Very low | 33.8 | Very low | 145 Ų | 145 | 145.1 Ų | 145.1 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | cis | -158.1 | 178 | -19.8 | -146.5 | -154.1 | 123.9 | 0 | 0 | 109.4 | ||||
| 58 | H | 32.7 | Very low | 33.4 | Very low | 165 Ų | 165 | 147.1 Ų | 147.1 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | 70.3 | 145.1 | 167.7 | -58.1 | -32.1 | 0 | 0 | 0 | 119.7 | ||||
| 59 | A | 34.4 | Very low | 33.1 | Very low | 91 Ų | 91 | 143.4 Ų | 143.4 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | -125.3 | 162.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 60 | P | 40.8 | Very low | 32.2 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | trans | -137.9 | -164.5 | 137.9 | 44.9 | -31.6 | 0 | 0 | 0 | 110.9 | ||||
| 61 | P | 44.6 | Very low | 32.3 | Very low | 109 Ų | 109 | 144.8 Ų | 144.8 | 71% | 0.708 | 81% | 0.806 | S | S | * | * | -126 | 166.7 | -102.6 | 31.7 | -10.3 | 0 | 0 | 0 | 115.9 | |||||
| 62 | S | 24.8 | Very low | 32.3 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -84.5 | 151.5 | 172.4 | 53.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 63 | W | 27.3 | Very low | 32.2 | Very low | 242 Ų | 242 | 147.7 Ų | 147.7 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | trans | -104.5 | 148.4 | 174.9 | -76.1 | 67.7 | 0 | 0 | 0 | 112.7 | ||||
| 64 | E | 30 | Very low | 32.1 | Very low | 175 Ų | 175 | 148.5 Ų | 148.5 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -85.3 | 171.7 | 173.2 | -58.5 | -179.8 | 123.6 | 0 | 0 | 112.3 | ||||
| 65 | P | 37 | Very low | 32.1 | Very low | 134 Ų | 134 | 148 Ų | 148 | 87% | 0.87 | 80% | 0.8 | S | S | * | * | trans | -127.9 | 156.2 | 132 | 36.5 | -29.7 | 0 | 0 | 0 | 114 | ||||
| 66 | Q | 29.8 | Very low | 32.1 | Very low | 190 Ų | 190 | 149.2 Ų | 149.2 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | trans | -96.1 | 161.6 | -163.1 | -161.4 | 177 | -72.1 | 0 | 0 | 114.5 | ||||
| 67 | Q | 33.7 | Very low | 32.2 | Very low | 178 Ų | 178 | 146.7 Ų | 146.7 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -79.2 | 161.5 | -179.3 | -60.3 | 173.9 | -10.8 | 0 | 0 | 114.9 | ||||
| 68 | Q | 28.8 | Very low | 32.2 | Very low | 204 Ų | 204 | 145.6 Ų | 145.6 | 95% | 0.953 | 81% | 0.808 | S | S | * | * | trans | -142.3 | 163.9 | 148.4 | -116.5 | 176.7 | 3.7 | 0 | 0 | 111.1 | ||||
| 69 | N | 27.7 | Very low | 32.3 | Very low | 138 Ų | 138 | 142.7 Ų | 142.7 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | trans | -145.6 | 140.1 | -153.8 | 170.3 | 30.5 | 0 | 0 | 0 | 112.4 | ||||
| 70 | V | 31 | Very low | 32.3 | Very low | 136 Ų | 136 | 146.5 Ų | 146.5 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | trans | -145.9 | 150.4 | 156.2 | -177.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 71 | E | 33.9 | Very low | 32.1 | Very low | 171 Ų | 171 | 151.1 Ų | 151.1 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | trans | -79.8 | 157.3 | -157 | -64 | 152.3 | 95.2 | 0 | 0 | 118.6 | ||||
| 72 | A | 30.1 | Very low | 32.6 | Very low | 99 Ų | 99 | 150.6 Ų | 150.6 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -150.1 | 158.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 73 | T | 29.6 | Very low | 33 | Very low | 132 Ų | 132 | 150.8 Ų | 150.8 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | -159.3 | 172 | -168.2 | -39.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 74 | V | 31.3 | Very low | 33.6 | Very low | 117 Ų | 117 | 147.3 Ų | 147.3 | 71% | 0.709 | 80% | 0.804 | S | S | * | * | trans | 96.9 | 101 | 160.2 | -175.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 75 | L | 30.2 | Very low | 33.8 | Very low | 157 Ų | 157 | 142.6 Ų | 142.6 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | 58.5 | 154.8 | 142.6 | -94.7 | 62.1 | 0 | 0 | 0 | 120.5 | ||||
| 76 | V | 35 | Very low | 34 | Very low | 134 Ų | 134 | 142.7 Ų | 142.7 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | cis | -133.3 | 158.3 | 5.6 | -171.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 77 | D | 31.8 | Very low | 34.4 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 65% | 0.652 | 79% | 0.793 | S | S | * | * | trans | -83.4 | 159.4 | 177.2 | 178.5 | 38.7 | 0 | 0 | 0 | 115.4 | V79 | D77-V79 VanDerWaalsContact OD1-CG2 3.25Å; D77-V79 WeakPolarHBondContact OD1-CG2 3.25Å | ||
| 78 | S | 30.8 | Very low | 34.5 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -167.4 | 125.5 | 160.1 | -78.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 79 | V | 36.3 | Very low | 35.2 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | trans | -128.7 | 143.1 | -170.1 | -167.8 | 0 | 0 | 0 | 0 | 111.3 | D77 | D77-V79 VanDerWaalsContact OD1-CG2 3.25Å; D77-V79 WeakPolarHBondContact OD1-CG2 3.25Å | ||
| 80 | L | 33.6 | Very low | 35.9 | Very low | 170 Ų | 170 | 143.8 Ų | 143.8 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | 172.9 | 151 | 129.2 | -90.8 | 156.3 | 0 | 0 | 0 | 116.6 | |||||
| 81 | R | 36.8 | Very low | 36.2 | Very low | 221 Ų | 221 | 146.7 Ų | 146.7 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -83.6 | 179.6 | -162.7 | -85.2 | -80.7 | -64.1 | 165.4 | 0.7 | 115.1 | ||||
| 82 | P | 54.8 | Low | 37 | Very low | 98 Ų | 98 | 143.4 Ų | 143.4 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | trans | -105.3 | -171.4 | -156.3 | 43.4 | -38.8 | 0 | 0 | 0 | 115.1 | ||||
| 83 | S | 33.6 | Very low | 37.4 | Very low | 121 Ų | 121 | 147.8 Ų | 147.8 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -129.8 | 163.8 | 171.4 | -168.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 84 | M | 39.5 | Very low | 37.5 | Very low | 170 Ų | 170 | 145.8 Ų | 145.8 | 84% | 0.837 | 78% | 0.779 | S | S | * | * | trans | -125.3 | 150.1 | -173.6 | -77.3 | -91.2 | -72.5 | 0 | 0 | 111.2 | ||||
| 85 | G | 33.8 | Very low | 37.9 | Very low | 75 Ų | 75 | 147.9 Ų | 147.9 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -161.8 | 116.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 86 | N | 42.2 | Very low | 38.1 | Very low | 136 Ų | 136 | 149.9 Ų | 149.9 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -97.8 | 161.8 | 172.1 | -56.8 | -74.3 | 0 | 0 | 0 | 110.2 | ||||
| 87 | F | 37.1 | Very low | 38.3 | Very low | 193 Ų | 193 | 152.4 Ų | 152.4 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -177 | 106.7 | 132 | -98.4 | -61.9 | 0 | 0 | 0 | 116.4 | ||||
| 88 | K | 36.4 | Very low | 38.6 | Very low | 177 Ų | 177 | 150.8 Ų | 150.8 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | 29.7 | 101.3 | 135.6 | -57.8 | -177.7 | -177.2 | 179.8 | 0 | 121.9 | ||||
| 89 | S | 43.7 | Very low | 38.7 | Very low | 111 Ų | 111 | 153.7 Ų | 153.7 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | 42.5 | 125.4 | 121.2 | 64.8 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 90 | R | 41.8 | Very low | 38.6 | Very low | 252 Ų | 252 | 154.1 Ų | 154.1 | 95% | 0.951 | 80% | 0.798 | S | S | * | * | trans | -154.5 | 152.5 | 145.4 | -133.6 | 176.5 | -176 | -173.2 | 1.7 | 114.3 | ||||
| 91 | K | 36.9 | Very low | 38.5 | Very low | 197 Ų | 197 | 149.4 Ų | 149.4 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | trans | -158.9 | 176.6 | 175.1 | -102.1 | -173.4 | -178.7 | -179.6 | 0 | 106.4 | ||||
| 92 | P | 52.3 | Low | 38.7 | Very low | 103 Ų | 103 | 150.7 Ų | 150.7 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | cis | -132.1 | -154.6 | -5.2 | 29.7 | -4.5 | 0 | 0 | 0 | 112.8 | ||||
| 93 | K | 38.3 | Very low | 37.5 | Very low | 190 Ų | 190 | 151.4 Ų | 151.4 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | trans | 90.6 | 152.3 | 159.6 | -64.7 | -177.5 | -179.2 | -177.8 | 0 | 118.4 | ||||
| 94 | S | 32.1 | Very low | 37.3 | Very low | 90 Ų | 90 | 155 Ų | 155 | 63% | 0.629 | 81% | 0.806 | S | S | * | * | cis | 176.5 | 157.5 | -32.8 | 53 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 95 | I | 38.8 | Very low | 37 | Very low | 162 Ų | 162 | 149.7 Ų | 149.7 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | trans | 142.3 | 148.2 | 143.6 | -75.1 | 156.2 | 0 | 0 | 0 | 114 | ||||
| 96 | F | 35.3 | Very low | 36.8 | Very low | 198 Ų | 198 | 155.2 Ų | 155.2 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | trans | -75.7 | 153.8 | 177.5 | -85.4 | -119.4 | 0 | 0 | 0 | 114 | ||||
| 97 | K | 37.4 | Very low | 36.4 | Very low | 187 Ų | 187 | 153.5 Ų | 153.5 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | -170.4 | 161.6 | 105.6 | -111.1 | -162.7 | 173.4 | -154.4 | 0 | 113.4 | |||||
| 98 | A | 39.1 | Very low | 36.3 | Very low | 88 Ų | 88 | 152.6 Ų | 152.6 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -137.5 | 150.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 99 | E | 32.3 | Very low | 36 | Very low | 183 Ų | 183 | 152.2 Ų | 152.2 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | -161.8 | 173.8 | 149.9 | -140.1 | 168 | 132.1 | 0 | 0 | 111.9 | ||||
| 100 | S | 34.4 | Very low | 35.5 | Very low | 114 Ų | 114 | 154.1 Ų | 154.1 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -99 | 169.1 | -170.6 | -174.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 101 | G | 31.4 | Very low | 35 | Very low | 72 Ų | 72 | 149.6 Ų | 149.6 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | -171 | 143.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 102 | R | 41.7 | Very low | 34.7 | Very low | 248 Ų | 248 | 148.2 Ų | 148.2 | 94% | 0.936 | 79% | 0.792 | S | S | * | * | trans | -136.2 | 145.5 | -178.4 | -68.2 | -173.9 | -179.5 | -166.1 | 2.4 | 113.2 | ||||
| 103 | S | 30.1 | Very low | 33.5 | Very low | 112 Ų | 112 | 149.1 Ų | 149.1 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | -165.4 | 143.7 | 154.3 | 52.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 104 | H | 29.6 | Very low | 33.1 | Very low | 198 Ų | 198 | 146.2 Ų | 146.2 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | cis | 74.8 | 122 | 22.2 | -152.7 | 37.7 | 0 | 0 | 0 | 113.6 | ||||
| 105 | G | 33.4 | Very low | 32.9 | Very low | 58 Ų | 58 | 147.6 Ų | 147.6 | 60% | 0.598 | 80% | 0.802 | S | S | * | * | cis | -167.1 | -150.7 | 1.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 106 | E | 27.7 | Very low | 32.3 | Very low | 191 Ų | 191 | 145.5 Ų | 145.5 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | 75 | 155.1 | 176 | -68.2 | -170.6 | 75.7 | 0 | 0 | 119.2 | ||||
| 107 | S | 35.2 | Very low | 32.1 | Very low | 99 Ų | 99 | 144.9 Ų | 144.9 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | cis | -178.1 | 177.4 | -33.5 | -97.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 108 | Q | 33.5 | Very low | 31.8 | Very low | 175 Ų | 175 | 140.3 Ų | 140.3 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | 83.4 | 113.6 | -176.1 | -55.3 | 175 | 19.5 | 0 | 0 | 113.8 | ||||
| 109 | E | 32 | Very low | 31.3 | Very low | 168 Ų | 168 | 144.6 Ų | 144.6 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | cis | 92 | 117.8 | 34.9 | -65.4 | 179.8 | 123.9 | 0 | 0 | 115 | ||||
| 110 | T | 31.6 | Very low | 31.1 | Very low | 152 Ų | 152 | 141.5 Ų | 141.5 | 93% | 0.933 | 80% | 0.796 | S | S | * | * | trans | -166.9 | 142.7 | 145.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 111 | E | 31.8 | Very low | 30.9 | Very low | 156 Ų | 156 | 144.6 Ų | 144.6 | 73% | 0.729 | 80% | 0.797 | S | S | * | * | trans | -124.2 | 178.1 | -163.6 | -59.3 | -168.9 | 110.6 | 0 | 0 | 114.3 | ||||
| 112 | H | 30 | Very low | 30.8 | Very low | 169 Ų | 169 | 147.1 Ų | 147.1 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | trans | 74.4 | 153.4 | 167.4 | -63.6 | -65.9 | 0 | 0 | 0 | 116.8 | ||||
| 113 | V | 28.9 | Very low | 30.4 | Very low | 121 Ų | 121 | 146.8 Ų | 146.8 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | cis | -151 | 165.1 | 14.3 | 83.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 114 | V | 28.4 | Very low | 30.5 | Very low | 130 Ų | 130 | 146 Ų | 146 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | trans | 79.9 | 135.8 | 161.7 | 161.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 115 | S | 28.5 | Very low | 30.5 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -128 | 159.4 | 173.9 | -46.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 116 | S | 25.9 | Very low | 30.6 | Very low | 118 Ų | 118 | 144 Ų | 144 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -158 | 168.5 | 156.7 | -143.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 117 | Q | 30.3 | Very low | 32 | Very low | 185 Ų | 185 | 140.9 Ų | 140.9 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -68.1 | 171.5 | -176.3 | -54.6 | 158.7 | -3.1 | 0 | 0 | 112 | ||||
| 118 | S | 32.5 | Very low | 31.8 | Very low | 92 Ų | 92 | 139.9 Ų | 139.9 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | cis | -143 | -159.5 | 6.9 | 52.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 119 | E | 28.3 | Very low | 31.6 | Very low | 178 Ų | 178 | 139.3 Ų | 139.3 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | cis | -157.5 | -147.7 | 5.3 | -148.1 | 149.9 | 117.3 | 0 | 0 | 112.2 | ||||
| 120 | C | 27.4 | Very low | 31.6 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -114.3 | 154.3 | -174.4 | -65.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 121 | Q | 30.9 | Very low | 31.4 | Very low | 179 Ų | 179 | 136.2 Ų | 136.2 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | 155.3 | 114.9 | 107.3 | -171.2 | 159.2 | 76.9 | 0 | 0 | 115 | |||||
| 122 | V | 28.8 | Very low | 32.3 | Very low | 125 Ų | 125 | 133.6 Ų | 133.6 | 76% | 0.758 | 78% | 0.777 | S | S | * | * | trans | 29.7 | 124.4 | 135.3 | -174.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 123 | R | 32.9 | Very low | 32.5 | Very low | 241 Ų | 241 | 133.2 Ų | 133.2 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | -162.5 | 157.2 | 70.2 | -154.5 | 166.6 | -170.5 | -169.9 | 1.9 | 114.7 | |||||
| 124 | A | 33.6 | Very low | 32.6 | Very low | 97 Ų | 97 | 133.4 Ų | 133.4 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | -108.2 | 170.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 125 | G | 28.4 | Very low | 32.6 | Very low | 80 Ų | 80 | 134.5 Ų | 134.5 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | -178.7 | 64.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 126 | T | 35.5 | Very low | 32.7 | Very low | 134 Ų | 134 | 132 Ų | 132 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | -91.9 | -175.2 | 161.7 | 24.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 127 | P | 57 | Low | 33.1 | Very low | 125 Ų | 125 | 136 Ų | 136 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | cis | -114.5 | -131.1 | -8.9 | 21.9 | 5.1 | 0 | 0 | 0 | 110 | ||||
| 128 | A | 31.3 | Very low | 33 | Very low | 78 Ų | 78 | 136.9 Ų | 136.9 | 65% | 0.645 | 76% | 0.764 | S | S | * | * | cis | -164.4 | 154.2 | -1.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 129 | H | 29.9 | Very low | 32.8 | Very low | 163 Ų | 163 | 137.9 Ų | 137.9 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | 60.7 | 157.8 | 159.5 | -96.3 | -129.4 | 0 | 0 | 0 | 118.3 | ||||
| 130 | E | 31.7 | Very low | 32.9 | Very low | 158 Ų | 158 | 137.5 Ų | 137.5 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | cis | -149.8 | 131.9 | 5.8 | -154.5 | 150 | -118.7 | 0 | 0 | 106.6 | ||||
| 131 | S | 27.8 | Very low | 33.1 | Very low | 96 Ų | 96 | 138.8 Ų | 138.8 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | 63.8 | 140 | 68.1 | -144.3 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 132 | P | 49.5 | Very low | 33.1 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 66% | 0.662 | 76% | 0.756 | S | S | * | * | cis | -143.2 | -168.4 | -44.7 | 42.9 | -26.5 | 0 | 0 | 0 | 114.9 | ||||
| 133 | Q | 34.4 | Very low | 33.3 | Very low | 161 Ų | 161 | 136 Ų | 136 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | 80.6 | 107.8 | 147.6 | -77.9 | -176.1 | -19.7 | 0 | 0 | 124.1 | ||||
| 134 | N | 30.6 | Very low | 33.1 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 66% | 0.663 | 76% | 0.755 | S | S | * | * | 90.8 | 146.9 | 115.9 | -74.1 | -14.3 | 0 | 0 | 0 | 124.5 | |||||
| 135 | N | 28.3 | Very low | 32.9 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | trans | 80.2 | 146.5 | 163.5 | -51.6 | -55.1 | 0 | 0 | 0 | 118.1 | ||||
| 136 | A | 31.6 | Very low | 33.2 | Very low | 64 Ų | 64 | 140.5 Ų | 140.5 | 53% | 0.529 | 75% | 0.745 | S | S | . | * | cis | 177.3 | 168.9 | -35.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 137 | F | 33.8 | Very low | 33.4 | Very low | 203 Ų | 203 | 139.5 Ų | 139.5 | 89% | 0.89 | 74% | 0.741 | S | S | * | * | trans | 70.1 | 152 | 177 | -47.5 | -78.8 | 0 | 0 | 0 | 114.5 | ||||
| 138 | K | 29 | Very low | 32.4 | Very low | 203 Ų | 203 | 143.2 Ų | 143.2 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | cis | -140.5 | 163.9 | 12.3 | -170.4 | 177.7 | 176.5 | -175.6 | 0 | 111 | ||||
| 139 | C | 27.6 | Very low | 32.5 | Very low | 113 Ų | 113 | 146.5 Ų | 146.5 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | trans | -104 | -178.4 | -168.4 | -51.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 140 | Q | 31.7 | Very low | 32.6 | Very low | 171 Ų | 171 | 145.3 Ų | 145.3 | 80% | 0.799 | 74% | 0.743 | S | S | * | * | trans | 83.7 | 146.9 | 162.5 | -67.8 | -171.4 | -63.6 | 0 | 0 | 118.7 | ||||
| 141 | E | 31 | Very low | 32.8 | Very low | 144 Ų | 144 | 146.7 Ų | 146.7 | 67% | 0.673 | 75% | 0.749 | S | S | * | * | cis | -166.4 | 176.2 | -23 | -155.8 | 170.3 | 128.8 | 0 | 0 | 110.5 | ||||
| 142 | T | 30.9 | Very low | 33 | Very low | 116 Ų | 116 | 154 Ų | 154 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | trans | 73 | 125.5 | 172.4 | 69.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 143 | V | 33 | Very low | 32.4 | Very low | 129 Ų | 129 | 155.8 Ų | 155.8 | 78% | 0.782 | 77% | 0.771 | S | S | * | * | cis | 72.7 | 114.8 | 44.6 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 144 | R | 28.5 | Very low | 32.2 | Very low | 226 Ų | 226 | 152.6 Ų | 152.6 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | cis | -137.8 | -152.5 | 29.8 | -134 | 158.7 | 177.5 | -179.9 | 0 | 109.5 | ||||
| 145 | L | 28.8 | Very low | 32.4 | Very low | 142 Ų | 142 | 154.1 Ų | 154.1 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | cis | -156.5 | 162.4 | 3.3 | -136.1 | -176.3 | 0 | 0 | 0 | 110 | ||||
| 146 | Q | 34.2 | Very low | 32.7 | Very low | 144 Ų | 144 | 151.3 Ų | 151.3 | 67% | 0.673 | 77% | 0.772 | S | S | * | * | trans | -158.8 | 151.7 | 165.9 | -110.8 | -85.9 | -10.2 | 0 | 0 | 107.3 | ||||
| 147 | P | 41.5 | Very low | 33 | Very low | 113 Ų | 113 | 154.6 Ų | 154.6 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | -151 | 142.4 | 105.4 | 36.6 | -19 | 0 | 0 | 0 | 116.8 | |||||
| 148 | R | 36.1 | Very low | 32.9 | Very low | 203 Ų | 203 | 152.9 Ų | 152.9 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | trans | -68.1 | 159.3 | 152.9 | -72.7 | -176.5 | 174.2 | -178.6 | -0.5 | 111.1 | ||||
| 149 | I | 31.6 | Very low | 32.8 | Very low | 147 Ų | 147 | 150 Ų | 150 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | -131.2 | 117.8 | 157.9 | -60.9 | 179.2 | 0 | 0 | 0 | 109 | Q151 | I149-Q151 HydrophobicContact CG2-CG 4.24Š| ||
| 150 | D | 33.3 | Very low | 32.9 | Very low | 138 Ų | 138 | 147.6 Ų | 147.6 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | trans | -96 | 143.2 | 159 | -77 | -63.7 | 0 | 0 | 0 | 108.6 | ||||
| 151 | Q | 36.4 | Very low | 32.6 | Very low | 187 Ų | 187 | 149.8 Ų | 149.8 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | -143.3 | 153.7 | 160.9 | -76.6 | -154.6 | 97.1 | 0 | 0 | 112 | I149 | I149-Q151 HydrophobicContact CG2-CG 4.24Š| ||
| 152 | R | 31.8 | Very low | 32.6 | Very low | 251 Ų | 251 | 150.2 Ų | 150.2 | 95% | 0.947 | 77% | 0.772 | S | S | * | * | trans | -113.8 | 165 | -176.6 | -73.2 | -176 | 173 | -169.8 | -1.2 | 112.6 | ||||
| 153 | T | 36.4 | Very low | 32.6 | Very low | 138 Ų | 138 | 150.8 Ų | 150.8 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | trans | -70.3 | 143.9 | -176.9 | -36.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 154 | A | 30 | Very low | 32.5 | Very low | 94 Ų | 94 | 153.1 Ų | 153.1 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | trans | -164 | 92.6 | 155.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 155 | I | 33.8 | Very low | 32.6 | Very low | 157 Ų | 157 | 148.3 Ų | 148.3 | 81% | 0.805 | 76% | 0.757 | S | S | * | * | trans | 36.4 | 119.5 | 130.1 | -55.7 | 173.4 | 0 | 0 | 0 | 122.1 | ||||
| 156 | S | 35.4 | Very low | 32.5 | Very low | 95 Ų | 95 | 146.8 Ų | 146.8 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | trans | 53.6 | 147.4 | 134 | -147.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 157 | P | 38.4 | Very low | 32.6 | Very low | 133 Ų | 133 | 146.4 Ų | 146.4 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | -129.9 | -172.6 | 97.1 | 40.5 | -33.6 | 0 | 0 | 0 | 114.9 | |||||
| 158 | K | 30.6 | Very low | 32 | Very low | 166 Ų | 166 | 148.1 Ų | 148.1 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | trans | -142.9 | 144.6 | -158.4 | 171 | -164 | 166.7 | -168.9 | 0 | 110.8 | ||||
| 159 | D | 27 | Very low | 32 | Very low | 143 Ų | 143 | 144.9 Ų | 144.9 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | trans | 175 | 136.2 | 132.8 | -83 | -23 | 0 | 0 | 0 | 108.6 | ||||
| 160 | A | 29.7 | Very low | 31.9 | Very low | 63 Ų | 63 | 144.2 Ų | 144.2 | 52% | 0.521 | 75% | 0.746 | S | S | . | * | cis | 96.6 | 109.9 | 25 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 161 | F | 26 | Very low | 31.8 | Very low | 216 Ų | 216 | 142.3 Ų | 142.3 | 95% | 0.947 | 74% | 0.744 | S | S | * | * | trans | -137.7 | 118.6 | 147.3 | -109.8 | -79.2 | 0 | 0 | 0 | 108.8 | ||||
| 162 | E | 32.1 | Very low | 31.6 | Very low | 154 Ų | 154 | 141.2 Ų | 141.2 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | trans | -92.6 | 160.8 | 168.9 | -64.1 | 171.4 | 87.5 | 0 | 0 | 109.9 | ||||
| 163 | T | 29.2 | Very low | 31.9 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | -172.5 | 109.6 | 129.7 | -76.5 | 0 | 0 | 0 | 0 | 105.5 | |||||
| 164 | R | 31.1 | Very low | 31.6 | Very low | 177 Ų | 177 | 138 Ų | 138 | 67% | 0.668 | 73% | 0.731 | S | S | * | * | 66.5 | 145.6 | 76 | -79.6 | -178.8 | 142.8 | -120.4 | -4.2 | 111.8 | |||||
| 165 | Q | 31.1 | Very low | 31.9 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 58% | 0.584 | 74% | 0.735 | S | S | * | * | cis | -153.7 | -179.8 | 12.8 | -117.5 | 158.1 | -90.9 | 0 | 0 | 107.4 | ||||
| 166 | D | 26.3 | Very low | 31.7 | Very low | 111 Ų | 111 | 140 Ų | 140 | 59% | 0.594 | 73% | 0.725 | S | S | * | * | cis | -150.6 | 173.5 | 9.9 | -130.7 | -35.6 | 0 | 0 | 0 | 112.7 | ||||
| 167 | L | 36.6 | Very low | 31.9 | Very low | 135 Ų | 135 | 139.9 Ų | 139.9 | 71% | 0.707 | 73% | 0.729 | S | S | * | * | trans | -43.9 | 164.6 | 166 | -54.4 | 161.6 | 0 | 0 | 0 | 113.9 | ||||
| 168 | N | 28.1 | Very low | 31.7 | Very low | 149 Ų | 149 | 140.6 Ų | 140.6 | 80% | 0.797 | 73% | 0.725 | S | S | * | * | 174.6 | 164.3 | 54.9 | -170.6 | -102.5 | 0 | 0 | 0 | 108 | |||||
| 169 | E | 37.3 | Very low | 31.6 | Very low | 135 Ų | 135 | 141 Ų | 141 | 63% | 0.631 | 73% | 0.73 | S | S | * | * | cis | -172.7 | 164.4 | -38.6 | -178.5 | 52.1 | 85.6 | 0 | 0 | 107.7 | ||||
| 170 | N | 30 | Very low | 32 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 72% | 0.717 | 73% | 0.729 | S | S | * | * | trans | 67.5 | 157 | 170.6 | -91.6 | -61 | 0 | 0 | 0 | 117 | ||||
| 171 | S | 30.8 | Very low | 32.3 | Very low | 98 Ų | 98 | 143.6 Ų | 143.6 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | cis | -158.8 | 176.2 | -11 | -155.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 172 | L | 32.3 | Very low | 32.6 | Very low | 163 Ų | 163 | 141.4 Ų | 141.4 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | trans | 98.9 | 139 | 155.5 | -135.8 | 79.1 | 0 | 0 | 0 | 120.5 | ||||
| 173 | L | 37.9 | Very low | 32.3 | Very low | 155 Ų | 155 | 139.6 Ų | 139.6 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | trans | -123.7 | 178 | -177.3 | -68.1 | 162.8 | 0 | 0 | 0 | 109.9 | ||||
| 174 | K | 30.3 | Very low | 32.4 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 73% | 0.726 | 75% | 0.747 | S | S | * | * | trans | 73.7 | 156.4 | 178.6 | -58.6 | -178.5 | 174.5 | -177.4 | 0 | 113 | ||||
| 175 | L | 35.7 | Very low | 32.3 | Very low | 165 Ų | 165 | 134.9 Ų | 134.9 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | cis | -102.2 | 130.1 | 10.3 | -55.3 | 159.5 | 0 | 0 | 0 | 109.6 | ||||
| 176 | Q | 30.5 | Very low | 32.1 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 60% | 0.598 | 76% | 0.761 | S | S | * | * | 64.3 | 121.5 | 51.2 | -168.1 | 166.4 | -9.9 | 0 | 0 | 113.5 | |||||
| 177 | A | 39.8 | Very low | 32.3 | Very low | 92 Ų | 92 | 140 Ų | 140 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | trans | -109.6 | 126.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 178 | L | 33.3 | Very low | 31.8 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | trans | -150.7 | 166.5 | 156.3 | -72.8 | -177.1 | 0 | 0 | 0 | 104.3 | ||||
| 179 | E | 28.7 | Very low | 31.8 | Very low | 176 Ų | 176 | 137.6 Ų | 137.6 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | cis | -131.7 | 170.2 | 19.3 | -69.6 | 169.9 | 141.1 | 0 | 0 | 112.3 | ||||
| 180 | S | 34.3 | Very low | 31.3 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | trans | -95.5 | -179.6 | 169.8 | -58.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 181 | D | 36.3 | Very low | 31.2 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | -34.7 | 130.9 | 177.2 | -54.3 | -71.4 | 0 | 0 | 0 | 116.7 | ||||
| 182 | L | 31.7 | Very low | 31.1 | Very low | 169 Ų | 169 | 143 Ų | 143 | 89% | 0.885 | 77% | 0.772 | S | S | * | * | trans | -134.9 | 132.2 | 144.4 | -91.2 | 106.9 | 0 | 0 | 0 | 109.8 | ||||
| 183 | C | 26.9 | Very low | 30.9 | Very low | 116 Ų | 116 | 138.8 Ų | 138.8 | 78% | 0.784 | 76% | 0.76 | S | S | * | * | trans | -93.1 | 150.4 | 177.6 | -67.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 184 | S | 32.1 | Very low | 30.5 | Very low | 123 Ų | 123 | 136 Ų | 136 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | trans | 18.3 | 120.8 | 149.5 | -51.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 185 | A | 27.8 | Very low | 30.4 | Very low | 83 Ų | 83 | 136.5 Ų | 136.5 | 69% | 0.686 | 76% | 0.764 | S | S | * | * | trans | -158.9 | 102.3 | 155.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 186 | F | 27.3 | Very low | 30 | Very low | 196 Ų | 196 | 134.9 Ų | 134.9 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | 53.9 | 154 | 146 | -52.3 | -70.8 | 0 | 0 | 0 | 120.5 | ||||
| 187 | L | 29.8 | Very low | 29.8 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | cis | -134.6 | 169.8 | 12.4 | -69.6 | 164.4 | 0 | 0 | 0 | 107.9 | ||||
| 188 | T | 27.3 | Very low | 29.1 | Very low | 105 Ų | 105 | 137 Ų | 137 | 64% | 0.644 | 77% | 0.774 | S | S | * | * | cis | -164.8 | 170.3 | -2.9 | 13.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 189 | N | 26.7 | Very low | 28.8 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 69% | 0.69 | 78% | 0.777 | S | S | * | * | cis | -98.4 | -89.5 | -8.5 | -54.5 | -79.8 | 0 | 0 | 0 | 111.3 | ||||
| 190 | Q | 27.6 | Very low | 28.8 | Very low | 135 Ų | 135 | 136.6 Ų | 136.6 | 63% | 0.631 | 78% | 0.775 | S | S | * | * | cis | -169 | 154.9 | -13.4 | -149.7 | 141.8 | -31.8 | 0 | 0 | 107.3 | ||||
| 191 | E | 28.2 | Very low | 28.2 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | cis | -132.8 | -97.2 | 3.8 | -167.1 | 78.4 | 91 | 0 | 0 | 109.9 | ||||
| 192 | E | 28.3 | Very low | 28.8 | Very low | 188 Ų | 188 | 136.6 Ų | 136.6 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | trans | -143.8 | 160.3 | -175.6 | -113.6 | -173.8 | 82.4 | 0 | 0 | 108.6 | ||||
| 193 | A | 27.8 | Very low | 28.5 | Very low | 74 Ų | 74 | 132.8 Ų | 132.8 | 61% | 0.612 | 77% | 0.766 | S | S | * | * | cis | -154.9 | 165.6 | 1.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 194 | A | 29.1 | Very low | 29.5 | Very low | 96 Ų | 96 | 133.1 Ų | 133.1 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | trans | 44.4 | 156.4 | 142.6 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 195 | Q | 29.2 | Very low | 29.4 | Very low | 178 Ų | 178 | 131.3 Ų | 131.3 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | cis | -173.3 | 130 | -27 | -178.5 | 172.9 | 83.6 | 0 | 0 | 111.2 | ||||
| 196 | V | 28.2 | Very low | 29.5 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | trans | 68.8 | 164.5 | 154.2 | 171.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 197 | H | 25.9 | Very low | 29.7 | Very low | 191 Ų | 191 | 128.9 Ų | 128.9 | 88% | 0.884 | 76% | 0.757 | S | S | * | * | trans | -72.6 | 165.7 | -173 | -46.4 | -41.3 | 0 | 0 | 0 | 116.4 | ||||
| 198 | G | 25.5 | Very low | 29.8 | Very low | 73 Ų | 73 | 130.5 Ų | 130.5 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | trans | 166.7 | 79 | 152.5 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 199 | V | 26.7 | Very low | 30 | Very low | 138 Ų | 138 | 130.2 Ų | 130.2 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | trans | 25.8 | 116.4 | 135.9 | -178.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 200 | K | 27.8 | Very low | 30.2 | Very low | 178 Ų | 178 | 129.8 Ų | 129.8 | 77% | 0.774 | 76% | 0.764 | S | S | * | * | trans | 82.7 | 122.2 | 136.7 | -174.7 | 172.9 | -179 | 178.8 | 0 | 123.6 | ||||
| 201 | D | 23 | Very low | 30.3 | Very low | 139 Ų | 139 | 130.9 Ų | 130.9 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | trans | 39.2 | 162.1 | 143.3 | -79.2 | -45.4 | 0 | 0 | 0 | 123.9 | ||||
| 202 | P | 47.3 | Very low | 30.6 | Very low | 120 Ų | 120 | 127.2 Ų | 127.2 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | cis | -133.6 | -156.3 | -10.6 | 31.5 | -6.9 | 0 | 0 | 0 | 114.8 | ||||
| 203 | A | 25.7 | Very low | 30.8 | Very low | 90 Ų | 90 | 125.2 Ų | 125.2 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | trans | -81.4 | -161.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 204 | P | 48.9 | Very low | 31.1 | Very low | 122 Ų | 122 | 124.2 Ų | 124.2 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | cis | -152.5 | -172.7 | 18 | 45.5 | -22.7 | 0 | 0 | 0 | 121 | ||||
| 205 | A | 29.1 | Very low | 31.5 | Very low | 86 Ų | 86 | 126 Ų | 126 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | trans | 100.3 | 149.6 | 134.5 | 0 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 206 | S | 29.1 | Very low | 31.5 | Very low | 108 Ų | 108 | 123.9 Ų | 123.9 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | 84.3 | 152.5 | 152.6 | -59.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 207 | T | 32.3 | Very low | 31.7 | Very low | 119 Ų | 119 | 122.2 Ų | 122.2 | 73% | 0.73 | 75% | 0.753 | S | S | * | * | cis | -172.1 | 152.5 | -25.7 | 33.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 208 | Q | 31.9 | Very low | 31.9 | Very low | 182 Ų | 182 | 117.6 Ų | 117.6 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | trans | 66.8 | 159.8 | 153.8 | -76.5 | -173.6 | -30.2 | 0 | 0 | 120.9 | ||||
| 209 | S | 31.9 | Very low | 32.2 | Very low | 100 Ų | 100 | 121.2 Ų | 121.2 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | cis | -178.7 | -175.3 | -21.5 | 67.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 210 | V | 29.8 | Very low | 33.3 | Very low | 119 Ų | 119 | 119.2 Ų | 119.2 | 72% | 0.721 | 74% | 0.74 | S | S | * | * | cis | -167.3 | 155.8 | -5.3 | 92.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 211 | L | 31.3 | Very low | 33.4 | Very low | 159 Ų | 159 | 116.3 Ų | 116.3 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | trans | 56.8 | 157.6 | 164.2 | -89.9 | 69.9 | 0 | 0 | 0 | 121 | ||||
| 212 | A | 33.8 | Very low | 34.2 | Very low | 81 Ų | 81 | 115.5 Ų | 115.5 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | cis | -169.3 | -167.5 | -14.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 213 | D | 33.5 | Very low | 33.3 | Very low | 145 Ų | 145 | 116 Ų | 116 | 78% | 0.775 | 75% | 0.745 | S | S | * | * | cis | -166.5 | -179.1 | -7.1 | -140.1 | -46.2 | 0 | 0 | 0 | 111.4 | ||||
| 214 | G | 34.2 | Very low | 33.5 | Very low | 54 Ų | 54 | 119.7 Ų | 119.7 | 56% | 0.557 | 75% | 0.746 | S | S | * | * | trans | 115.6 | 88.8 | 146 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 215 | T | 35.7 | Very low | 32.9 | Very low | 133 Ų | 133 | 121.4 Ų | 121.4 | 82% | 0.816 | 74% | 0.741 | S | S | * | * | trans | 22.1 | 156.4 | 134.2 | 16.5 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 216 | D | 30 | Very low | 32.9 | Very low | 134 Ų | 134 | 123 Ų | 123 | 72% | 0.717 | 74% | 0.738 | S | S | * | * | cis | -162.7 | 171 | 7.9 | -172.7 | 41.7 | 0 | 0 | 0 | 114.9 | ||||
| 217 | S | 32.5 | Very low | 33 | Very low | 95 Ų | 95 | 121.2 Ų | 121.2 | 66% | 0.664 | 74% | 0.737 | S | S | * | * | trans | 70.2 | 134.4 | 158.8 | -79.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 218 | A | 31 | Very low | 33 | Very low | 95 Ų | 95 | 123.1 Ų | 123.1 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | cis | 102.6 | 140.2 | 26.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 219 | D | 30 | Very low | 33 | Very low | 149 Ų | 149 | 120.2 Ų | 120.2 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | cis | -156.9 | -128 | -13.1 | -177.3 | 31.7 | 0 | 0 | 0 | 112.7 | ||||
| 220 | P | 49.8 | Very low | 33 | Very low | 96 Ų | 96 | 123.4 Ų | 123.4 | 62% | 0.623 | 73% | 0.731 | S | S | * | * | -107.9 | 166.3 | -111.1 | 35.1 | -25.7 | 0 | 0 | 0 | 119 | |||||
| 221 | S | 30.2 | Very low | 33.5 | Very low | 116 Ų | 116 | 122.5 Ų | 122.5 | 81% | 0.811 | 74% | 0.737 | S | S | * | * | 173.9 | 151.6 | 105.5 | 47.4 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 222 | P | 41 | Very low | 33.4 | Very low | 122 Ų | 122 | 121.8 Ų | 121.8 | 79% | 0.792 | 73% | 0.734 | S | S | * | * | trans | -128.1 | 174.2 | -168.9 | 43.5 | -28.9 | 0 | 0 | 0 | 116.4 | ||||
| 223 | V | 27.6 | Very low | 33.4 | Very low | 132 Ų | 132 | 123 Ų | 123 | 80% | 0.8 | 74% | 0.737 | S | S | * | * | trans | -140.9 | 122 | 166.7 | 173.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 224 | H | 31 | Very low | 33.4 | Very low | 166 Ų | 166 | 120.3 Ų | 120.3 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | trans | 15.3 | 149 | 148.3 | -60 | -58.1 | 0 | 0 | 0 | 121.4 | ||||
| 225 | K | 35.9 | Very low | 33.9 | Very low | 158 Ų | 158 | 123 Ų | 123 | 69% | 0.687 | 74% | 0.743 | S | S | * | * | cis | -170.6 | 169.5 | 7.7 | -112.9 | -92.4 | -173.8 | 177.2 | 0 | 106.3 | ||||
| 226 | D | 29.3 | Very low | 33.9 | Very low | 119 Ų | 119 | 124.8 Ų | 124.8 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | cis | -155.6 | 177.4 | 4.4 | -156.1 | -6.7 | 0 | 0 | 0 | 110.3 | ||||
| 227 | G | 31.3 | Very low | 34.1 | Very low | 72 Ų | 72 | 123.8 Ų | 123.8 | 74% | 0.742 | 74% | 0.736 | S | S | * | * | trans | 152.4 | 76.7 | 163 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 228 | Q | 31.3 | Very low | 34.4 | Very low | 158 Ų | 158 | 126.5 Ų | 126.5 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | trans | -50.8 | 154.5 | 164.8 | -77.9 | -173.6 | -94.7 | 0 | 0 | 114.6 | ||||
| 229 | N | 32 | Very low | 35.1 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 65% | 0.652 | 75% | 0.746 | S | S | * | * | cis | -155.5 | 155.9 | 11.7 | -93.1 | -29.8 | 0 | 0 | 0 | 112.3 | ||||
| 230 | E | 32.2 | Very low | 35.4 | Very low | 166 Ų | 166 | 128.3 Ų | 128.3 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | trans | 41.9 | 121.9 | 141.3 | -61.5 | -52.9 | 133.2 | 0 | 0 | 124.1 | ||||
| 231 | A | 39.7 | Very low | 35.2 | Very low | 100 Ų | 100 | 130.6 Ų | 130.6 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | trans | -167.7 | 70.4 | 134.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 232 | D | 29.8 | Very low | 35.6 | Very low | 145 Ų | 145 | 127.7 Ų | 127.7 | 78% | 0.775 | 74% | 0.741 | S | S | * | * | trans | 58.4 | 143.1 | 144.8 | -143.6 | -22.7 | 0 | 0 | 0 | 123.4 | ||||
| 233 | S | 33.5 | Very low | 36.1 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | trans | 72.5 | 104.3 | 155.5 | -71.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 234 | A | 32.7 | Very low | 37.3 | Very low | 89 Ų | 89 | 125.8 Ų | 125.8 | 74% | 0.736 | 73% | 0.73 | S | S | * | * | trans | -80.8 | -168.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 235 | P | 45 | Very low | 38.5 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | cis | -129.7 | 160.9 | 34.2 | 15.1 | 11.9 | 0 | 0 | 0 | 117 | ||||
| 236 | E | 35.6 | Very low | 39.5 | Very low | 169 Ų | 169 | 127.2 Ų | 127.2 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | trans | 39.3 | 144.6 | 131.1 | -45.5 | -61.4 | 82.2 | 0 | 0 | 120.9 | ||||
| 237 | D | 34.2 | Very low | 40.7 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 60% | 0.604 | 73% | 0.729 | S | S | * | * | cis | -170.8 | 148.6 | -12.7 | 175.5 | 29.7 | 0 | 0 | 0 | 107.8 | ||||
| 238 | L | 40.3 | Very low | 41.7 | Very low | 152 Ų | 152 | 130.2 Ų | 130.2 | 80% | 0.796 | 72% | 0.723 | S | S | * | * | trans | 148.9 | 132.5 | 130.8 | -79.1 | 171.8 | 0 | 0 | 0 | 113 | ||||
| 239 | H | 44.1 | Very low | 42.8 | Very low | 183 Ų | 183 | 127.8 Ų | 127.8 | 85% | 0.847 | 71% | 0.711 | S | S | * | * | trans | -77.7 | 145.2 | -178.7 | -71.6 | -114.2 | 0 | 0 | 0 | 112.9 | ||||
| 240 | S | 37.6 | Very low | 43.9 | Very low | 99 Ų | 99 | 128.2 Ų | 128.2 | 69% | 0.692 | 71% | 0.712 | S | S | * | * | trans | -148.9 | 142.9 | 145.8 | -169 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 241 | V | 46 | Very low | 45.1 | Very low | 145 Ų | 145 | 126.3 Ų | 126.3 | 88% | 0.879 | 71% | 0.712 | S | S | * | * | trans | -90.6 | 112.8 | -175.2 | 174.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 242 | G | 38.1 | Very low | 45.6 | Very low | 54 Ų | 54 | 126.3 Ų | 126.3 | 56% | 0.557 | 70% | 0.698 | S | S | * | * | trans | -158.5 | 115.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | S244 | G242-S244 WeakPolarHBondContact O-CB 3.29Å; G242-S244 PolarHBondContact O-N 2.97Å; G242-S244 PolarHBondContact O-OG 3.19Å | ||
| 243 | T | 51.4 | Low | 46.8 | Very low | 142 Ų | 142 | 122.1 Ų | 122.1 | 87% | 0.871 | 69% | 0.689 | S | S | * | * | trans | -53.1 | 97.1 | 175 | 46.6 | 0 | 0 | 0 | 0 | 113 | L247 | T243-L247 WeakPolarHBondContact O-CD1 3.42Š| ||
| 244 | S | 53 | Low | 47.6 | Very low | 72 Ų | 72 | 123.6 Ų | 123.6 | 50% | 0.503 | 69% | 0.689 | S | S | . | * | trans | -146.2 | -13.3 | -168.7 | 55.1 | 0 | 0 | 0 | 0 | 118.3 | G242 L246 L247 Y248 | G242-S244 WeakPolarHBondContact O-CB 3.29Å; G242-S244 PolarHBondContact O-N 2.97Å; G242-S244 PolarHBondContact O-OG 3.19Å; S244-L246 PolarHBondContact O-N 3.09Å; S244-L247 WeakPolarHBondContact O-CB 3.47Å; S244-L247 PolarHBondContact O-N 3.09Å; S244-Y248 PolarHBondContact O-N 3.12Å | ||
| 245 | R | 56 | Low | 48.8 | Very low | 208 Ų | 208 | 126 Ų | 126 | 79% | 0.785 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -17.9 | 178.8 | -149.8 | -166.8 | -171.3 | -71.9 | 1.2 | 114.1 | ||
| 246 | L | 56 | Low | 49.6 | Very low | 146 Ų | 146 | 126 Ų | 126 | 76% | 0.764 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -23.8 | 169.7 | -91.8 | 162.1 | 0 | 0 | 0 | 113.6 | S244 | S244-L246 PolarHBondContact O-N 3.09Š|
| 247 | L | 55.3 | Low | 50.6 | Low | 97 Ų | 97 | 126 Ų | 126 | 51% | 0.508 | 69% | 0.694 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.6 | -28.8 | -179.2 | -63.6 | 178 | 0 | 0 | 0 | 112.4 | T243 S244 H249 I250 T251 | T243-L247 WeakPolarHBondContact O-CD1 3.42Å; S244-L247 WeakPolarHBondContact O-CB 3.47Å; S244-L247 PolarHBondContact O-N 3.09Å; L247-H249 PolarHBondContact O-N 3.13Å; L247-I250 HydrophobicContact CD2-CD1 4.25Å; L247-I250 WeakPolarHBondContact O-CB 3.47Å; L247-I250 PolarHBondContact O-N 3.32Å; L247-T251 PolarHBondContact O-N 3.4Å |
| 248 | Y | 51.8 | Low | 51.7 | Low | 158 Ų | 158 | 127.8 Ų | 127.8 | 62% | 0.62 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -56.9 | -34.2 | 175.4 | -153.5 | -76.6 | 0 | 0 | 0 | 112 | S244 I250 D252 | S244-Y248 PolarHBondContact O-N 3.12Å; Y248-I250 PolarHBondContact O-N 3.34Å; Y248-D252 PolarHBondContact O-N 3.16Å |
| 249 | H | 54.1 | Low | 52.1 | Low | 107 Ų | 107 | 124.6 Ų | 124.6 | 50% | 0.495 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -81.6 | 15.3 | 176.1 | -60.1 | -61.2 | 0 | 0 | 0 | 114.3 | L247 | L247-H249 PolarHBondContact O-N 3.13Å |
| 250 | I | 56.6 | Low | 52.6 | Low | 130 Ų | 130 | 122.2 Ų | 122.2 | 67% | 0.667 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -124.7 | -28.6 | 179.3 | -60.2 | 177.2 | 0 | 0 | 0 | 111.3 | L247 Y248 | L247-I250 HydrophobicContact CD2-CD1 4.25Å; L247-I250 WeakPolarHBondContact O-CB 3.47Å; L247-I250 PolarHBondContact O-N 3.32Å; Y248-I250 PolarHBondContact O-N 3.34Å |
| 251 | T | 55.8 | Low | 53.3 | Low | 127 Ų | 127 | 129 Ų | 129 | 78% | 0.779 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -96.5 | -24.2 | 178.4 | 52.9 | 0 | 0 | 0 | 0 | 114.4 | L247 | L247-T251 PolarHBondContact O-N 3.4Å |
| 252 | D | 50.8 | Low | 53.5 | Low | 99 Ų | 99 | 126.1 Ų | 126.1 | 53% | 0.529 | 69% | 0.689 | S | S | . | * | S | Bend | trans | -88.1 | 151.5 | 170.3 | -147.7 | -18.4 | 0 | 0 | 0 | 110.3 | Y248 D254 | Y248-D252 PolarHBondContact O-N 3.16Å; D252-D254 PolarHBondContact O-N 3.45Å |
| 253 | G | 54.6 | Low | 54.1 | Low | 57 Ų | 57 | 129 Ų | 129 | 59% | 0.588 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -68.3 | -1.5 | -158.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | N255 | G253-N255 PolarHBondContact O-N 2.89Å; G253-N255 PolarHBondContact O-ND2 3.03Å |
| 254 | D | 51.7 | Low | 54.1 | Low | 137 Ų | 137 | 130.1 Ų | 130.1 | 73% | 0.733 | 70% | 0.7 | S | S | * | * | trans | -75.2 | 85.7 | -175 | -82.5 | -25.2 | 0 | 0 | 0 | 112.4 | D252 P256 | D252-D254 PolarHBondContact O-N 3.45Å; D254-P256 WeakPolarHBondContact O-CD 3.2Å | ||
| 255 | N | 57 | Low | 54.1 | Low | 138 Ų | 138 | 134.4 Ų | 134.4 | 74% | 0.738 | 71% | 0.71 | S | S | * | * | trans | -56.5 | 117.1 | 175.3 | -78.3 | -108.2 | 0 | 0 | 0 | 110.6 | G253 L257 | G253-N255 PolarHBondContact O-N 2.89Å; G253-N255 PolarHBondContact O-ND2 3.03Å; N255-L257 PolarHBondContact O-N 3.1Å; N255-L257 VanDerWaalsContact O-N 3.09Å | ||
| 256 | P | 61.4 | Low | 53.8 | Low | 113 Ų | 113 | 130 Ų | 130 | 73% | 0.734 | 71% | 0.711 | S | S | * | * | trans | -65.7 | 115.1 | -179.1 | 25.2 | -33.3 | 0 | 0 | 0 | 110.3 | D254 L258 | D254-P256 WeakPolarHBondContact O-CD 3.2Å; P256-L258 PolarHBondContact O-N 3.47Å; P256-L258 VanDerWaalsContact O-N 3.14Å | ||
| 257 | L | 57.2 | Low | 53.6 | Low | 169 Ų | 169 | 132.4 Ų | 132.4 | 89% | 0.885 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 117.9 | -171.3 | -65.5 | 176.6 | 0 | 0 | 0 | 112.1 | N255 S259 | N255-L257 PolarHBondContact O-N 3.1Å; N255-L257 VanDerWaalsContact O-N 3.09Å; L257-S259 PolarHBondContact O-N 2.98Å |
| 258 | L | 56.2 | Low | 53 | Low | 150 Ų | 150 | 129.9 Ų | 129.9 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 124.8 | 179.6 | -81.1 | 165.8 | 0 | 0 | 0 | 111.1 | P256 | P256-L258 PolarHBondContact O-N 3.47Å; P256-L258 VanDerWaalsContact O-N 3.14Å |
| 259 | S | 48.5 | Very low | 53 | Low | 86 Ų | 86 | 131.9 Ų | 131.9 | 60% | 0.601 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -57 | 130.8 | -175.3 | -160 | 0 | 0 | 0 | 0 | 111.1 | L257 R261 C262 | L257-S259 PolarHBondContact O-N 2.98Å; S259-R261 PolarHBondContact O-N 3.39Å; S259-C262 PolarHBondContact O-N 3.45Å |
| 260 | P | 56.6 | Low | 53.1 | Low | 132 Ų | 132 | 134.7 Ų | 134.7 | 86% | 0.857 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | 9.3 | -165.4 | -28.9 | 36.2 | 0 | 0 | 0 | 119 | ||
| 261 | R | 51.3 | Low | 52.6 | Low | 243 Ų | 243 | 137.1 Ų | 137.1 | 92% | 0.917 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -1.2 | 175.3 | -72.1 | -177.6 | 168.9 | 156.2 | -0.7 | 114.2 | S259 | S259-R261 PolarHBondContact O-N 3.39Š|
| 262 | C | 50.9 | Low | 52.5 | Low | 83 Ų | 83 | 137.4 Ų | 137.4 | 56% | 0.561 | 73% | 0.733 | S | S | * | * | trans | -100.3 | 38.5 | -172.7 | -65.4 | 0 | 0 | 0 | 0 | 115.3 | S259 I264 | S259-C262 PolarHBondContact O-N 3.45Å; C262-I264 VanDerWaalsContact C-N 3.26Å; C262-I264 PolarHBondContact O-N 2.97Å | ||
| 263 | S | 50.8 | Low | 52.7 | Low | 115 Ų | 115 | 140.5 Ų | 140.5 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -0.5 | -173.1 | -146 | 0 | 0 | 0 | 0 | 116.1 | ||
| 264 | I | 50.7 | Low | 52.9 | Low | 165 Ų | 165 | 141.7 Ų | 141.7 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | 14.9 | -170.1 | -28.8 | -178.7 | 0 | 0 | 0 | 113 | C262 | C262-I264 VanDerWaalsContact C-N 3.26Å; C262-I264 PolarHBondContact O-N 2.97Å |
| 265 | F | 52.3 | Low | 53.4 | Low | 163 Ų | 163 | 141.3 Ų | 141.3 | 72% | 0.715 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -137.7 | 21.2 | 179.6 | -150.8 | -104.3 | 0 | 0 | 0 | 115 | ||
| 266 | S | 49.3 | Very low | 53.8 | Low | 115 Ų | 115 | 143.3 Ų | 143.3 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -91.4 | -5.9 | 175.8 | -153.8 | 0 | 0 | 0 | 0 | 114 | ||
| 267 | Q | 52.8 | Low | 54.1 | Low | 196 Ų | 196 | 141 Ų | 141 | 92% | 0.916 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -130.7 | 27.6 | -171.1 | -152.4 | 174.2 | 49.2 | 0 | 0 | 113.4 | ||
| 268 | S | 41.5 | Very low | 54.6 | Low | 44 Ų | 44 | 137 Ų | 137 | 31% | 0.308 | 73% | 0.729 | S | S | . | * | trans | -95.5 | 90.4 | 176.3 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | R270 | S268-R270 VanDerWaalsContact C-N 3.28Å; S268-R270 PolarHBondContact O-N 3.02Å; S268-R270 WeakPolarHBondContact OG-CG 3.29Å | ||
| 269 | Q | 53.4 | Low | 55.1 | Low | 200 Ų | 200 | 136 Ų | 136 | 94% | 0.935 | 73% | 0.731 | S | S | * | * | trans | -62.6 | 87.3 | 166.3 | -71.6 | 179.8 | -13.3 | 0 | 0 | 110 | ||||
| 270 | R | 54.8 | Low | 55.4 | Low | 167 Ų | 167 | 136.1 Ų | 136.1 | 63% | 0.63 | 73% | 0.733 | S | S | * | * | trans | -137.1 | 8.1 | 177.9 | -71.3 | -168.6 | -169.5 | -140.6 | 9.2 | 114.6 | S268 | S268-R270 VanDerWaalsContact C-N 3.28Å; S268-R270 PolarHBondContact O-N 3.02Å; S268-R270 WeakPolarHBondContact OG-CG 3.29Å | ||
| 271 | F | 45.8 | Very low | 55.4 | Low | 181 Ų | 181 | 134.4 Ų | 134.4 | 79% | 0.794 | 72% | 0.721 | S | S | * | * | trans | -102.6 | 88.8 | 164.7 | -67.7 | -74 | 0 | 0 | 0 | 108.5 | L273 | F271-L273 PolarHBondContact O-N 3.07Š| ||
| 272 | N | 55.4 | Low | 55.8 | Low | 132 Ų | 132 | 128.2 Ų | 128.2 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | trans | -68.7 | 119.9 | 154.2 | -71.3 | -27.4 | 0 | 0 | 0 | 106 | D274 | N272-D274 VanDerWaalsContact C-N 3.28Š| ||
| 273 | L | 55.1 | Low | 55.7 | Low | 164 Ų | 164 | 129.9 Ų | 129.9 | 86% | 0.859 | 73% | 0.725 | S | S | * | * | trans | -93.7 | 11.7 | 176.4 | -66.4 | 173.2 | 0 | 0 | 0 | 112.2 | F271 | F271-L273 PolarHBondContact O-N 3.07Š| ||
| 274 | D | 58.4 | Low | 55.9 | Low | 82 Ų | 82 | 129 Ų | 129 | 44% | 0.439 | 72% | 0.715 | S | S | . | * | trans | -86.3 | 117.9 | 173.5 | 167.5 | 28.6 | 0 | 0 | 0 | 110.2 | N272 E276 S277 | N272-D274 VanDerWaalsContact C-N 3.28Å; D274-E276 PolarHBondContact OD1-N 3.01Å; D274-S277 VanDerWaalsContact OD2-CB 3.26Å; D274-S277 WeakPolarHBondContact OD2-CB 3.35Å; D274-S277 PolarHBondContact OD2-N 2.81Å; D274-S277 VanDerWaalsContact OD2-N 3.13Å; D274-S277 PolarHBondContact OD2-OG 3.3Å | ||
| 275 | P | 62 | Low | 56.2 | Low | 129 Ų | 129 | 128.5 Ų | 128.5 | 84% | 0.838 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -11.9 | 179.8 | 32.7 | -35.8 | 0 | 0 | 0 | 114.6 | ||
| 276 | E | 65.4 | Low | 56.2 | Low | 181 Ų | 181 | 127.5 Ų | 127.5 | 85% | 0.846 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -6.8 | 178.3 | -63.4 | -152 | 119.4 | 0 | 0 | 113.8 | D274 A278 | D274-E276 PolarHBondContact OD1-N 3.01Å; E276-A278 PolarHBondContact O-N 2.92Å |
| 277 | S | 67.8 | Low | 56 | Low | 64 Ų | 64 | 132 Ų | 132 | 45% | 0.448 | 71% | 0.712 | S | S | . | * | trans | -63.2 | 106.7 | 173.8 | -88.9 | 0 | 0 | 0 | 0 | 112.4 | D274 | D274-S277 VanDerWaalsContact OD2-CB 3.26Å; D274-S277 WeakPolarHBondContact OD2-CB 3.35Å; D274-S277 PolarHBondContact OD2-N 2.81Å; D274-S277 VanDerWaalsContact OD2-N 3.13Å; D274-S277 PolarHBondContact OD2-OG 3.3Å | ||
| 278 | A | 67.4 | Low | 55.8 | Low | 85 Ų | 85 | 131.4 Ų | 131.4 | 70% | 0.702 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 141 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E276 S280 | E276-A278 PolarHBondContact O-N 2.92Å; A278-S280 PolarHBondContact O-N 3.18Å |
| 279 | P | 66.9 | Low | 56.6 | Low | 128 Ų | 128 | 137.4 Ų | 137.4 | 83% | 0.831 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 132.1 | -176.1 | 25.1 | -34.4 | 0 | 0 | 0 | 111.7 | ||
| 280 | S | 54.2 | Low | 56.2 | Low | 90 Ų | 90 | 133 Ų | 133 | 63% | 0.629 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 144.2 | -174.1 | -46.9 | 0 | 0 | 0 | 0 | 112.7 | A278 | A278-S280 PolarHBondContact O-N 3.18Š|
| 281 | P | 56.7 | Low | 56.3 | Low | 95 Ų | 95 | 136.9 Ų | 136.9 | 62% | 0.617 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 151.9 | 179.9 | 24.4 | -34.2 | 0 | 0 | 0 | 112.2 | S283 T284 | P281-S283 PolarHBondContact O-N 3.38Å; P281-T284 PolarHBondContact O-N 2.77Å |
| 282 | P | 59.2 | Low | 55.9 | Low | 113 Ų | 113 | 133.9 Ų | 133.9 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -64 | -11.9 | -164.6 | 23.2 | -34.6 | 0 | 0 | 0 | 115.5 | T284 Q285 | P282-T284 PolarHBondContact O-N 2.74Å; P282-T284 VanDerWaalsContact O-N 3.16Å; P282-Q285 PolarHBondContact O-N 2.77Å |
| 283 | S | 50 | Low | 55.4 | Low | 119 Ų | 119 | 133.1 Ų | 133.1 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -63.9 | -15.4 | 178 | -168.9 | 0 | 0 | 0 | 0 | 114.7 | P281 | P281-S283 PolarHBondContact O-N 3.38Š|
| 284 | T | 55.3 | Low | 55.1 | Low | 97 Ų | 97 | 130.7 Ų | 130.7 | 60% | 0.595 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -99.2 | -3.2 | -176.8 | -46.7 | 0 | 0 | 0 | 0 | 112.9 | P281 P282 Q286 | P281-T284 PolarHBondContact O-N 2.77Å; P282-T284 PolarHBondContact O-N 2.74Å; P282-T284 VanDerWaalsContact O-N 3.16Å; T284-Q286 PolarHBondContact O-N 2.71Å; T284-Q286 VanDerWaalsContact O-N 3.15Å |
| 285 | Q | 56 | Low | 54.3 | Low | 154 Ų | 154 | 138.5 Ų | 138.5 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | trans | -75.3 | 104.5 | 174.9 | -68.9 | -168.7 | -2.8 | 0 | 0 | 111 | P282 F287 | P282-Q285 PolarHBondContact O-N 2.77Å; Q285-F287 PolarHBondContact O-N 3.3Å; Q285-F287 VanDerWaalsContact O-N 3.13Å | ||
| 286 | Q | 52.6 | Low | 53 | Low | 142 Ų | 142 | 138.2 Ų | 138.2 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | trans | -67.7 | 108.3 | 169.6 | -64.9 | 177 | -78.6 | 0 | 0 | 109.2 | T284 M288 | T284-Q286 PolarHBondContact O-N 2.71Å; T284-Q286 VanDerWaalsContact O-N 3.15Å; Q286-M288 PolarHBondContact O-N 2.78Å; Q286-M288 VanDerWaalsContact O-N 3.13Å | ||
| 287 | F | 46 | Very low | 51.8 | Low | 210 Ų | 210 | 135.1 Ų | 135.1 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | trans | -51.2 | 118.2 | 173.9 | -93.2 | -103.2 | 0 | 0 | 0 | 110.7 | Q285 M289 | Q285-F287 PolarHBondContact O-N 3.3Å; Q285-F287 VanDerWaalsContact O-N 3.13Å; F287-M289 PolarHBondContact O-N 2.93Å | ||
| 288 | M | 48.7 | Very low | 50.4 | Low | 183 Ų | 183 | 137.9 Ų | 137.9 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | trans | -73 | 107.8 | 175.9 | -72.1 | -168.6 | -72.4 | 0 | 0 | 110 | Q286 P290 | Q286-M288 PolarHBondContact O-N 2.78Å; Q286-M288 VanDerWaalsContact O-N 3.13Å; M288-P290 WeakPolarHBondContact O-CD 3.38Å | ||
| 289 | M | 56.9 | Low | 49.2 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 84% | 0.837 | 79% | 0.789 | S | S | * | * | trans | -67 | 123.8 | 174.9 | -165.3 | 73.5 | 107.9 | 0 | 0 | 110.3 | F287 R291 | F287-M289 PolarHBondContact O-N 2.93Å; M289-R291 PolarHBondContact O-N 3.47Å | ||
| 290 | P | 44.9 | Very low | 47.9 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | -60.8 | 125.4 | -178.6 | -25.8 | 35.5 | 0 | 0 | 0 | 113.1 | M288 S292 | M288-P290 WeakPolarHBondContact O-CD 3.38Å; P290-S292 PolarHBondContact O-N 3.14Å | ||
| 291 | R | 57.8 | Low | 47.2 | Very low | 248 Ų | 248 | 136.3 Ų | 136.3 | 94% | 0.936 | 78% | 0.784 | S | S | * | * | trans | -86.7 | 71.9 | 176.3 | -74.2 | -174.9 | 171.4 | -176.9 | -1.3 | 111.8 | M289 S293 | M289-R291 PolarHBondContact O-N 3.47Å; R291-S293 PolarHBondContact O-N 2.87Å | ||
| 292 | S | 36.3 | Very low | 46.9 | Very low | 117 Ų | 117 | 138 Ų | 138 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -71.9 | 123.4 | 170.2 | -61.4 | 0 | 0 | 0 | 0 | 110.8 | P290 | P290-S292 PolarHBondContact O-N 3.14Š| ||
| 293 | S | 45.9 | Very low | 46.4 | Very low | 116 Ų | 116 | 139.3 Ų | 139.3 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | -141.1 | 111.5 | 179 | -178.8 | 0 | 0 | 0 | 0 | 111.3 | R291 | R291-S293 PolarHBondContact O-N 2.87Š| ||
| 294 | S | 48.7 | Very low | 47.2 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -146.7 | 78.6 | 175.1 | 60.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 295 | R | 42.1 | Very low | 48.1 | Very low | 245 Ų | 245 | 138 Ų | 138 | 93% | 0.925 | 76% | 0.762 | S | S | * | * | trans | 20.8 | 104.2 | 149.6 | -62.8 | 177.8 | 172.5 | -170.8 | -2.9 | 118.1 | ||||
| 296 | C | 33.3 | Very low | 49.8 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | -139.5 | 128.8 | 126 | -166 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 297 | S | 41.4 | Very low | 51.6 | Low | 116 Ų | 116 | 129.3 Ų | 129.3 | 81% | 0.811 | 73% | 0.728 | S | S | * | * | trans | -136 | 87.9 | -168.2 | 171.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 298 | C | 39 | Very low | 53.9 | Low | 121 Ų | 121 | 123.4 Ų | 123.4 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | trans | -124 | 81.3 | 179.8 | -62.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 299 | G | 42.3 | Very low | 56.1 | Low | 80 Ų | 80 | 118.4 Ų | 118.4 | 83% | 0.825 | 68% | 0.683 | S | S | * | * | S | Bend | trans | 61.6 | 71.6 | 146.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||
| 300 | D | 37.8 | Very low | 58 | Low | 120 Ų | 120 | 110.3 Ų | 110.3 | 64% | 0.642 | 64% | 0.644 | S | S | * | * | -154.5 | 139.6 | 122.7 | -171.5 | 13.7 | 0 | 0 | 0 | 110 | K302 | D300-K302 VanDerWaalsContact C-N 3.27Å; D300-K302 HydrophobicContact CB-CG 4.38Å; D300-K302 PolarHBondContact O-N 2.95Å; D300-K302 IonicContact OD1-NZ 2.95Å; D300-K302 PolarHBondContact OD1-NZ 3.12Å; D300-K302 WeakPolarHBondContact OD2-CE 3.39Å; D300-K302 WeakPolarHBondContact OD2-CG 3.37Å; D300-K302 IonicContact OD2-NZ 2.71Å; D300-K302 PolarHBondContact OD2-NZ 3.22Å | |||
| 301 | G | 41.3 | Very low | 60.4 | Low | 70 Ų | 70 | 107.1 Ų | 107.1 | 72% | 0.722 | 62% | 0.622 | S | S | * | * | trans | -75.6 | 73.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 302 | K | 49.3 | Very low | 62.3 | Low | 130 Ų | 130 | 102 Ų | 102 | 57% | 0.565 | 61% | 0.606 | S | S | * | * | trans | -133.7 | 109.4 | 174.9 | -49.9 | -70.5 | 167.4 | -69.5 | 0 | 108.9 | D300 | D300-K302 VanDerWaalsContact C-N 3.27Å; D300-K302 HydrophobicContact CB-CG 4.38Å; D300-K302 PolarHBondContact O-N 2.95Å; D300-K302 IonicContact OD1-NZ 2.95Å; D300-K302 PolarHBondContact OD1-NZ 3.12Å; D300-K302 WeakPolarHBondContact OD2-CE 3.39Å; D300-K302 WeakPolarHBondContact OD2-CG 3.37Å; D300-K302 IonicContact OD2-NZ 2.71Å; D300-K302 PolarHBondContact OD2-NZ 3.22Å | ||
| 303 | E | 49.8 | Very low | 65.2 | Low | 141 Ų | 141 | 100.4 Ų | 100.4 | 66% | 0.659 | 59% | 0.586 | S | S | * | * | trans | -50.9 | 141.2 | 162.1 | -174.2 | -170.3 | 167.1 | 0 | 0 | 109.3 | Q305 | E303-Q305 PolarHBondContact O-N 3.5Š| ||
| 304 | P | 65.6 | Low | 67.7 | Low | 117 Ų | 117 | 95.7 Ų | 95.7 | 76% | 0.76 | 55% | 0.551 | S | S | * | * | trans | -61.1 | 97.2 | -177 | 23.6 | -34.6 | 0 | 0 | 0 | 111.6 | T306 | P304-T306 PolarHBondContact O-N 3.41Š| ||
| 305 | Q | 75.1 | Confident | 70.1 | Confident | 73 Ų | 73 | 95.1 Ų | 95.1 | 34% | 0.341 | 54% | 0.536 | S | S | . | . | trans | -59.2 | 109.9 | -169.6 | -73.4 | -172.4 | -17 | 0 | 0 | 112 | E303 L364 | E303-Q305 PolarHBondContact O-N 3.5Å; Q305-L364 VanDerWaalsContact O-CD1 3.24Å; Q305-L364 WeakPolarHBondContact O-CD1 3.32Å | ||
| 306 | T | 90.3 | Very high | 72.8 | Confident | 75 Ų | 75 | 85.6 Ų | 85.6 | 46% | 0.46 | 51% | 0.507 | S | S | . | . | trans | -62.2 | 146.8 | -178.8 | -23.6 | 0 | 0 | 0 | 0 | 110.6 | P304 T308 Q309 L310 | P304-T306 PolarHBondContact O-N 3.41Å; T306-T308 PolarHBondContact O-N 3.28Å; T306-Q309 WeakPolarHBondContact O-CA 3.3Å; T306-Q309 WeakPolarHBondContact O-CB 3.27Å; T306-Q309 PolarHBondContact O-N 3.28Å; T306-L310 PolarHBondContact O-N 2.79Å | ||
| 307 | I | 92.1 | Very high | 75.9 | Confident | 37 Ų | 37 | 80 Ų | 80 | 19% | 0.19 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -46.9 | -38.2 | 174.8 | -73.2 | 173.9 | 0 | 0 | 0 | 112.2 | T311 L361 L364 K365 L368 | I307-T311 VanDerWaalsContact O-CB 3.25Å; I307-T311 WeakPolarHBondContact O-CB 3.3Å; I307-T311 PolarHBondContact O-N 2.89Å; I307-T311 PolarHBondContact O-OG1 3.1Å; I307-L361 HydrophobicContact CB-CD1 4.32Å; I307-L361 HydrophobicContact CG1-CD1 4.39Å; I307-L361 HydrophobicContact CG2-CD1 3.81Å; I307-L364 HydrophobicContact CD1-CB 4.17Å; I307-L364 HydrophobicContact CG1-CB 3.82Å; I307-L364 HydrophobicContact CG1-CD1 4.48Å; I307-K365 HydrophobicContact CD1-CG 3.9Å; I307-L368 HydrophobicContact CD1-CD1 3.44Å; I307-L368 VanDerWaalsContact CD1-CD1 3.44Å; I307-L368 HydrophobicContact CD1-CG 4.18Å |
| 308 | T | 93.4 | Very high | 78.6 | Confident | 86 Ų | 86 | 79 Ų | 79 | 53% | 0.528 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.3 | -47.4 | 176 | -53.6 | 0 | 0 | 0 | 0 | 112.9 | T306 L310 T311 K312 | T306-T308 PolarHBondContact O-N 3.28Å; T308-L310 VanDerWaalsContact C-N 3.34Å; T308-L310 PolarHBondContact O-N 3.37Å; T308-T311 PolarHBondContact O-N 2.94Å; T308-K312 WeakPolarHBondContact O-CG 3.44Å; T308-K312 PolarHBondContact O-N 2.74Å |
| 309 | Q | 95.1 | Very high | 81.4 | Confident | 78 Ų | 78 | 80.3 Ų | 80.3 | 36% | 0.364 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.7 | -48.4 | 175.7 | -62.6 | 179 | -7.1 | 0 | 0 | 110.4 | T306 T311 K312 H313 | T306-Q309 WeakPolarHBondContact O-CA 3.3Å; T306-Q309 WeakPolarHBondContact O-CB 3.27Å; T306-Q309 PolarHBondContact O-N 3.28Å; Q309-T311 PolarHBondContact O-N 3.17Å; Q309-K312 WeakPolarHBondContact O-CB 3.31Å; Q309-K312 PolarHBondContact O-N 3.36Å; Q309-H313 WeakPolarHBondContact O-CB 3.15Å; Q309-H313 PolarHBondContact O-N 3Å |
| 310 | L | 95.7 | Very high | 84 | Confident | 1 Ų | 1 | 81 Ų | 81 | 1% | 0.005 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -67.2 | -37.2 | -177.1 | -171.6 | 57.3 | 0 | 0 | 0 | 112.6 | T306 T308 H313 I314 Q360 L361 L364 | T306-L310 PolarHBondContact O-N 2.79Å; T308-L310 VanDerWaalsContact C-N 3.34Å; T308-L310 PolarHBondContact O-N 3.37Å; L310-H313 PolarHBondContact O-N 3.34Å; L310-I314 HydrophobicContact CG-CD1 4.24Å; L310-I314 WeakPolarHBondContact O-CB 3.32Å; L310-I314 WeakPolarHBondContact O-CD1 3.41Å; L310-I314 VanDerWaalsContact O-CG1 3.29Å; L310-I314 WeakPolarHBondContact O-CG1 3.33Å; L310-I314 PolarHBondContact O-N 3.3Å; L310-Q360 HydrophobicContact CD2-CB 3.59Å; L310-L361 HydrophobicContact CD2-CB 3.79Å; L310-L361 HydrophobicContact CD2-CD1 4.44Å; L310-L361 VanDerWaalsContact CD2-N 3.34Å; L310-L361 HydrophobicContact CG-CB 4.17Å; L310-L364 HydrophobicContact CD2-CD1 4.01Å |
| 311 | T | 96.4 | Very high | 86.9 | Confident | 41 Ų | 41 | 76.1 Ų | 76.1 | 25% | 0.252 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 172.4 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | I307 T308 Q309 H313 I314 Q315 | I307-T311 VanDerWaalsContact O-CB 3.25Å; I307-T311 WeakPolarHBondContact O-CB 3.3Å; I307-T311 PolarHBondContact O-N 2.89Å; I307-T311 PolarHBondContact O-OG1 3.1Å; T308-T311 PolarHBondContact O-N 2.94Å; Q309-T311 PolarHBondContact O-N 3.17Å; T311-H313 VanDerWaalsContact C-N 3.33Å; T311-H313 PolarHBondContact O-N 3.21Å; T311-I314 PolarHBondContact O-N 2.76Å; T311-Q315 WeakPolarHBondContact O-CG 3.33Å; T311-Q315 PolarHBondContact O-N 3.27Å |
| 312 | K | 97.7 | Very high | 89.5 | Confident | 139 Ų | 139 | 80.9 Ų | 80.9 | 60% | 0.604 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -59.7 | -42.1 | 173.6 | -73.2 | 175.8 | 178 | -177.2 | 0 | 111.3 | T308 Q309 Q315 S316 | T308-K312 WeakPolarHBondContact O-CG 3.44Å; T308-K312 PolarHBondContact O-N 2.74Å; Q309-K312 WeakPolarHBondContact O-CB 3.31Å; Q309-K312 PolarHBondContact O-N 3.36Å; K312-Q315 PolarHBondContact O-N 3.29Å; K312-S316 WeakPolarHBondContact O-CB 3.45Å; K312-S316 PolarHBondContact O-N 3.15Å |
| 313 | H | 97.6 | Very high | 91.8 | Very high | 85 Ų | 85 | 81.3 Ų | 81.3 | 39% | 0.394 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.5 | -49.7 | 177.1 | -173.3 | 80 | 0 | 0 | 0 | 112.2 | Q309 L310 T311 Q315 S316 L317 | Q309-H313 WeakPolarHBondContact O-CB 3.15Å; Q309-H313 PolarHBondContact O-N 3Å; L310-H313 PolarHBondContact O-N 3.34Å; T311-H313 VanDerWaalsContact C-N 3.33Å; T311-H313 PolarHBondContact O-N 3.21Å; H313-Q315 VanDerWaalsContact C-N 3.3Å; H313-Q315 PolarHBondContact O-N 3.21Å; H313-S316 WeakPolarHBondContact O-CA 3.43Å; H313-S316 VanDerWaalsContact O-CB 3.32Å; H313-S316 WeakPolarHBondContact O-CB 3.37Å; H313-S316 PolarHBondContact O-N 3.1Å; H313-L317 WeakPolarHBondContact NE2-CD1 3.29Å; H313-L317 PolarHBondContact O-N 3.36Å |
| 314 | I | 98.1 | Very high | 94.1 | Very high | 16 Ų | 16 | 76.2 Ų | 76.2 | 8% | 0.082 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -56.5 | -41.9 | 174.9 | -73.6 | 161.5 | 0 | 0 | 0 | 111.9 | L310 T311 S316 K318 L354 R358 L361 | L310-I314 HydrophobicContact CG-CD1 4.24Å; L310-I314 WeakPolarHBondContact O-CB 3.32Å; L310-I314 WeakPolarHBondContact O-CD1 3.41Å; L310-I314 VanDerWaalsContact O-CG1 3.29Å; L310-I314 WeakPolarHBondContact O-CG1 3.33Å; L310-I314 PolarHBondContact O-N 3.3Å; T311-I314 PolarHBondContact O-N 2.76Å; I314-S316 VanDerWaalsContact C-N 3.35Å; I314-K318 HydrophobicContact CG2-CD 4.48Å; I314-K318 WeakPolarHBondContact O-CB 3.16Å; I314-K318 WeakPolarHBondContact O-CG 3.36Å; I314-K318 PolarHBondContact O-N 3.04Å; I314-L354 HydrophobicContact CB-CD1 4.33Å; I314-L354 HydrophobicContact CG1-CD1 4.47Å; I314-L354 HydrophobicContact CG2-CD1 3.76Å; I314-R358 HydrophobicContact CD1-CG 4.38Å; I314-L361 HydrophobicContact CD1-CB 3.89Å; I314-L361 HydrophobicContact CD1-CD2 3.54Å; I314-L361 HydrophobicContact CD1-CG 4.32Å |
| 315 | Q | 98.4 | Very high | 95.6 | Very high | 102 Ų | 102 | 72.2 Ų | 72.2 | 48% | 0.477 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.8 | -30 | 175.8 | -70.3 | 177.2 | 4.7 | 0 | 0 | 112.9 | T311 K312 H313 R319 | T311-Q315 WeakPolarHBondContact O-CG 3.33Å; T311-Q315 PolarHBondContact O-N 3.27Å; K312-Q315 PolarHBondContact O-N 3.29Å; H313-Q315 VanDerWaalsContact C-N 3.3Å; H313-Q315 PolarHBondContact O-N 3.21Å; Q315-R319 WeakPolarHBondContact O-CG 3.38Å; Q315-R319 PolarHBondContact O-N 2.84Å; Q315-R319 PolarHBondContact O-NE 2.72Å |
| 316 | S | 98.4 | Very high | 96.7 | Very high | 45 Ų | 45 | 73.9 Ų | 73.9 | 32% | 0.315 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.5 | -49.9 | 172.6 | -169.5 | 0 | 0 | 0 | 0 | 111.1 | K312 H313 I314 K318 R319 K320 | K312-S316 WeakPolarHBondContact O-CB 3.45Å; K312-S316 PolarHBondContact O-N 3.15Å; H313-S316 WeakPolarHBondContact O-CA 3.43Å; H313-S316 VanDerWaalsContact O-CB 3.32Å; H313-S316 WeakPolarHBondContact O-CB 3.37Å; H313-S316 PolarHBondContact O-N 3.1Å; I314-S316 VanDerWaalsContact C-N 3.35Å; S316-K318 PolarHBondContact O-N 3.45Å; S316-R319 CarbonylContact O-C 3.59Å; S316-R319 WeakPolarHBondContact O-CA 3.12Å; S316-R319 WeakPolarHBondContact O-CB 3.4Å; S316-R319 PolarHBondContact O-N 2.81Å; S316-K320 PolarHBondContact O-N 3.04Å |
| 317 | L | 98.4 | Very high | 96.9 | Very high | 8 Ų | 8 | 77.2 Ų | 77.2 | 4% | 0.042 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 176.8 | -64.5 | -178.9 | 0 | 0 | 0 | 112.4 | H313 R319 K320 I321 W350 D353 L354 | H313-L317 WeakPolarHBondContact NE2-CD1 3.29Å; H313-L317 PolarHBondContact O-N 3.36Å; L317-R319 PolarHBondContact O-N 2.61Å; L317-K320 PolarHBondContact O-N 3.3Å; L317-I321 WeakPolarHBondContact O-CG1 3.44Å; L317-I321 PolarHBondContact O-N 2.75Å; L317-W350 HydrophobicContact CD2-CB 4.02Å; L317-W350 HydrophobicContact CD2-CG 4.08Å; L317-D353 HydrophobicContact CD1-CB 3.77Å; L317-L354 HydrophobicContact CB-CB 4.19Å; L317-L354 HydrophobicContact CB-CD1 4.41Å; L317-L354 HydrophobicContact CD1-CB 4.01Å; L317-L354 VanDerWaalsContact CD1-N 3.31Å |
| 318 | K | 98 | Very high | 97.2 | Very high | 94 Ų | 94 | 76.4 Ų | 76.4 | 41% | 0.409 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57 | -36 | 171.9 | -78.7 | 179.8 | 67.3 | -179 | 0 | 112.8 | I314 S316 R322 L354 | I314-K318 HydrophobicContact CG2-CD 4.48Å; I314-K318 WeakPolarHBondContact O-CB 3.16Å; I314-K318 WeakPolarHBondContact O-CG 3.36Å; I314-K318 PolarHBondContact O-N 3.04Å; S316-K318 PolarHBondContact O-N 3.45Å; K318-R322 WeakPolarHBondContact O-CB 3.2Å; K318-R322 VanDerWaalsContact O-CG 3.31Å; K318-R322 WeakPolarHBondContact O-CG 3.19Å; K318-R322 PolarHBondContact O-N 2.84Å; K318-L354 HydrophobicContact CG-CD1 4Å; K318-L354 HydrophobicContact CG-CD2 4.09Å |
| 319 | R | 98.5 | Very high | 97.3 | Very high | 148 Ų | 148 | 76.3 Ų | 76.3 | 56% | 0.558 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -74.7 | -41 | 176.1 | -78.1 | 177.2 | -72.9 | 165 | -4.8 | 112 | Q315 S316 L317 R322 K323 | Q315-R319 WeakPolarHBondContact O-CG 3.38Å; Q315-R319 PolarHBondContact O-N 2.84Å; Q315-R319 PolarHBondContact O-NE 2.72Å; S316-R319 CarbonylContact O-C 3.59Å; S316-R319 WeakPolarHBondContact O-CA 3.12Å; S316-R319 WeakPolarHBondContact O-CB 3.4Å; S316-R319 PolarHBondContact O-N 2.81Å; L317-R319 PolarHBondContact O-N 2.61Å; R319-R322 PolarHBondContact O-N 3.47Å; R319-K323 WeakPolarHBondContact O-CG 3.45Å; R319-K323 PolarHBondContact O-N 3.36Å |
| 320 | K | 97.8 | Very high | 97.4 | Very high | 96 Ų | 96 | 78.1 Ų | 78.1 | 42% | 0.417 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.3 | -47.9 | 175.5 | -68.8 | -163 | 175.3 | -165.6 | 0 | 112.1 | S316 L317 R322 K323 F324 W350 | S316-K320 PolarHBondContact O-N 3.04Å; L317-K320 PolarHBondContact O-N 3.3Å; K320-R322 PolarHBondContact O-N 3.42Å; K320-K323 PolarHBondContact O-N 3.17Å; K320-F324 PolarHBondContact O-N 2.65Å; K320-W350 HydrophobicContact CB-CD2 3.78Å; K320-W350 HydrophobicContact CB-CE3 3.53Å; K320-W350 HydrophobicContact CB-CG 4.43Å; K320-W350 HydrophobicContact CB-CH2 4.31Å; K320-W350 HydrophobicContact CB-CZ3 3.82Å; K320-W350 HydrophobicContact CD-CD2 3.93Å; K320-W350 HydrophobicContact CD-CE3 4.43Å; K320-W350 HydrophobicContact CD-CG 4.41Å; K320-W350 HydrophobicContact CD-CH2 4.4Å; K320-W350 HydrophobicContact CD-CZ2 3.88Å |
| 321 | I | 97.3 | Very high | 97.4 | Very high | 17 Ų | 17 | 84.1 Ų | 84.1 | 9% | 0.087 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 177.3 | -63.8 | 161.6 | 0 | 0 | 0 | 110.8 | L317 K323 F324 E325 W350 M351 L354 | L317-I321 WeakPolarHBondContact O-CG1 3.44Å; L317-I321 PolarHBondContact O-N 2.75Å; I321-K323 PolarHBondContact O-N 2.85Å; I321-F324 WeakPolarHBondContact O-CB 3.29Å; I321-F324 PolarHBondContact O-N 2.93Å; I321-F324 VanDerWaalsContact O-N 3.14Å; I321-E325 PolarHBondContact O-N 3.12Å; I321-W350 HydrophobicContact CD1-CB 4.13Å; I321-W350 HydrophobicContact CG1-CB 3.85Å; I321-W350 HydrophobicContact CG1-CE3 4.34Å; I321-M351 HydrophobicContact CD1-CG 3.83Å; I321-M351 HydrophobicContact CG1-CG 4.35Å; I321-L354 HydrophobicContact CD1-CD2 3.63Å |
| 322 | R | 97.6 | Very high | 97.3 | Very high | 169 Ų | 169 | 86.7 Ų | 86.7 | 64% | 0.638 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61.1 | -42.3 | 175.4 | -79.2 | 177.2 | 172.5 | -167.7 | -6.2 | 113.2 | K318 R319 K320 F324 E325 E326 | K318-R322 WeakPolarHBondContact O-CB 3.2Å; K318-R322 VanDerWaalsContact O-CG 3.31Å; K318-R322 WeakPolarHBondContact O-CG 3.19Å; K318-R322 PolarHBondContact O-N 2.84Å; R319-R322 PolarHBondContact O-N 3.47Å; K320-R322 PolarHBondContact O-N 3.42Å; R322-F324 PolarHBondContact O-N 2.85Å; R322-E325 PolarHBondContact O-N 2.93Å; R322-E325 VanDerWaalsContact O-N 3.15Å; R322-E326 VanDerWaalsContact O-CB 3.3Å; R322-E326 WeakPolarHBondContact O-CB 3.2Å; R322-E326 PolarHBondContact O-N 3.47Å |
| 323 | K | 97.4 | Very high | 97 | Very high | 140 Ų | 140 | 88.2 Ų | 88.2 | 61% | 0.609 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.9 | -29.2 | 174.8 | -76.5 | -170.2 | 171.8 | -161.5 | 0 | 112.7 | R319 K320 I321 K327 | R319-K323 WeakPolarHBondContact O-CG 3.45Å; R319-K323 PolarHBondContact O-N 3.36Å; K320-K323 PolarHBondContact O-N 3.17Å; I321-K323 PolarHBondContact O-N 2.85Å; K323-K327 WeakPolarHBondContact O-CB 3.21Å; K323-K327 VanDerWaalsContact O-CG 3.3Å; K323-K327 WeakPolarHBondContact O-CG 3.11Å; K323-K327 PolarHBondContact O-N 3.16Å; K323-K327 VanDerWaalsContact O-N 3.1Å |
| 324 | F | 97.6 | Very high | 96.8 | Very high | 34 Ų | 34 | 90 Ų | 90 | 15% | 0.149 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -72.9 | -46.3 | 169.1 | 173.2 | -95.5 | 0 | 0 | 0 | 112 | K320 I321 R322 E326 K327 F328 P336 K341 N344 V347 | K320-F324 PolarHBondContact O-N 2.65Å; I321-F324 WeakPolarHBondContact O-CB 3.29Å; I321-F324 PolarHBondContact O-N 2.93Å; I321-F324 VanDerWaalsContact O-N 3.14Å; R322-F324 PolarHBondContact O-N 2.85Å; F324-E326 VanDerWaalsContact C-N 3.27Å; F324-E326 PolarHBondContact O-N 3.02Å; F324-K327 PolarHBondContact O-N 3.47Å; F324-F328 HydrophobicContact CE1-CB 4.44Å; F324-F328 HydrophobicContact CE1-CD2 4.33Å; F324-F328 HydrophobicContact CE2-CD2 4.37Å; F324-F328 HydrophobicContact CZ-CB 4.35Å; F324-F328 AromaticContact CZ-CD2 3.78Å; F324-F328 HydrophobicContact CZ-CD2 3.78Å; F324-F328 HydrophobicContact CZ-CG 4.43Å; F324-F328 VanDerWaalsContact O-CB 3.27Å; F324-F328 WeakPolarHBondContact O-CB 3.17Å; F324-F328 PolarHBondContact O-N 3.25Å; F324-P336 HydrophobicContact CE1-CB 4.31Å; F324-P336 HydrophobicContact CE1-CG 4.3Å; F324-K341 HydrophobicContact CD1-CG 4.33Å; F324-K341 HydrophobicContact CE1-CG 3.93Å; F324-N344 HydrophobicContact CE2-CB 4Å; F324-N344 HydrophobicContact CZ-CB 4.05Å; F324-V347 HydrophobicContact CB-CG2 3.72Å; F324-V347 HydrophobicContact CD1-CB 4.36Å; F324-V347 HydrophobicContact CD1-CG1 3.94Å; F324-V347 HydrophobicContact CD1-CG2 3.58Å; F324-V347 HydrophobicContact CD2-CG2 3.49Å; F324-V347 VanDerWaalsContact CD2-CG2 3.49Å; F324-V347 HydrophobicContact CE1-CG1 4.28Å; F324-V347 HydrophobicContact CE1-CG2 4.03Å; F324-V347 HydrophobicContact CE2-CG2 3.94Å; F324-V347 HydrophobicContact CG-CB 4.47Å; F324-V347 HydrophobicContact CG-CG1 4.43Å; F324-V347 HydrophobicContact CG-CG2 3.28Å; F324-V347 HydrophobicContact CZ-CG2 4.18Å |
| 325 | E | 96.9 | Very high | 96.7 | Very high | 33 Ų | 33 | 96.6 Ų | 96.6 | 15% | 0.154 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -53.4 | -48.3 | 176.3 | -67 | -168.7 | 178.3 | 0 | 0 | 111.1 | I321 R322 E329 R335 P336 K341 | I321-E325 PolarHBondContact O-N 3.12Å; R322-E325 PolarHBondContact O-N 2.93Å; R322-E325 VanDerWaalsContact O-N 3.15Å; E325-E329 VanDerWaalsContact O-CB 3.26Å; E325-E329 WeakPolarHBondContact O-CB 3.28Å; E325-E329 PolarHBondContact O-N 2.76Å; E325-R335 IonicContact OE2-CZ 2.77Å; E325-R335 IonicContact OE2-NE 3.61Å; E325-R335 IonicContact OE2-NH2 2.71Å; E325-R335 PolarHBondContact OE2-NH2 3.27Å; E325-P336 HydrophobicContact CB-CG 4.21Å; E325-P336 HydrophobicContact CG-CG 4.19Å; E325-K341 WeakPolarHBondContact OE1-CE 3.44Å; E325-K341 IonicContact OE1-NZ 3.4Å; E325-K341 PolarHBondContact OE1-NZ 3.15Å |
| 326 | E | 97.6 | Very high | 96.5 | Very high | 107 Ų | 107 | 92 Ų | 92 | 50% | 0.5 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61 | -51.1 | 177.1 | 176.4 | 177.4 | -150.9 | 0 | 0 | 113.1 | R322 F324 F328 E329 Q330 | R322-E326 VanDerWaalsContact O-CB 3.3Å; R322-E326 WeakPolarHBondContact O-CB 3.2Å; R322-E326 PolarHBondContact O-N 3.47Å; F324-E326 VanDerWaalsContact C-N 3.27Å; F324-E326 PolarHBondContact O-N 3.02Å; E326-F328 PolarHBondContact O-N 3.15Å; E326-E329 PolarHBondContact O-N 3.34Å; E326-Q330 WeakPolarHBondContact O-CB 3.27Å; E326-Q330 VanDerWaalsContact O-CG 3.26Å; E326-Q330 WeakPolarHBondContact O-CG 3.31Å; E326-Q330 PolarHBondContact O-N 2.93Å |
| 327 | K | 95.9 | Very high | 96.2 | Very high | 145 Ų | 145 | 92.8 Ų | 92.8 | 63% | 0.63 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -63.5 | -42 | 178.6 | -81.4 | -173.4 | 169.6 | -157.9 | 0 | 112.9 | K323 F324 E329 Q330 E331 | K323-K327 WeakPolarHBondContact O-CB 3.21Å; K323-K327 VanDerWaalsContact O-CG 3.3Å; K323-K327 WeakPolarHBondContact O-CG 3.11Å; K323-K327 PolarHBondContact O-N 3.16Å; K323-K327 VanDerWaalsContact O-N 3.1Å; F324-K327 PolarHBondContact O-N 3.47Å; K327-E329 VanDerWaalsContact C-N 3.35Å; K327-Q330 PolarHBondContact O-N 2.8Å; K327-E331 WeakPolarHBondContact O-CB 3.31Å; K327-E331 PolarHBondContact O-N 2.88Å |
| 328 | F | 97.3 | Very high | 96 | Very high | 21 Ų | 21 | 98.7 Ų | 98.7 | 9% | 0.092 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 177.9 | -175.8 | -73.5 | 0 | 0 | 0 | 110.6 | F324 E326 E331 K332 Y334 P336 D340 | F324-F328 HydrophobicContact CE1-CB 4.44Å; F324-F328 HydrophobicContact CE1-CD2 4.33Å; F324-F328 HydrophobicContact CE2-CD2 4.37Å; F324-F328 HydrophobicContact CZ-CB 4.35Å; F324-F328 AromaticContact CZ-CD2 3.78Å; F324-F328 HydrophobicContact CZ-CD2 3.78Å; F324-F328 HydrophobicContact CZ-CG 4.43Å; F324-F328 VanDerWaalsContact O-CB 3.27Å; F324-F328 WeakPolarHBondContact O-CB 3.17Å; F324-F328 PolarHBondContact O-N 3.25Å; E326-F328 PolarHBondContact O-N 3.15Å; F328-E331 PolarHBondContact O-N 3.4Å; F328-K332 HydrophobicContact CD1-CB 4.04Å; F328-K332 HydrophobicContact CD1-CG 3.88Å; F328-K332 HydrophobicContact CD2-CG 4.28Å; F328-K332 HydrophobicContact CE1-CB 3.76Å; F328-K332 HydrophobicContact CE1-CG 3.62Å; F328-K332 HydrophobicContact CE2-CG 4.04Å; F328-K332 HydrophobicContact CG-CG 4.21Å; F328-K332 HydrophobicContact CZ-CB 4.29Å; F328-K332 HydrophobicContact CZ-CG 3.72Å; F328-K332 WeakPolarHBondContact O-CB 3.34Å; F328-K332 PolarHBondContact O-N 3.24Å; F328-Y334 AromaticContact CE1-CD2 3.99Å; F328-Y334 HydrophobicContact CE1-CD2 3.99Å; F328-Y334 AromaticContact CE1-CE2 3.48Å; F328-Y334 HydrophobicContact CE1-CE2 3.48Å; F328-Y334 VanDerWaalsContact CE1-CE2 3.48Å; F328-Y334 AromaticContact CE1-CZ 3.81Å; F328-Y334 AromaticContact CZ-CE2 3.88Å; F328-Y334 HydrophobicContact CZ-CE2 3.88Å; F328-Y334 AromaticContact CZ-CZ 3.97Å; F328-P336 HydrophobicContact CB-CB 4.31Å; F328-P336 HydrophobicContact CB-CG 3.89Å; F328-P336 HydrophobicContact CD1-CB 3.51Å; F328-P336 HydrophobicContact CD1-CG 3.75Å; F328-P336 HydrophobicContact CD2-CB 4.16Å; F328-P336 HydrophobicContact CE1-CB 3.72Å; F328-P336 HydrophobicContact CE1-CG 4.42Å; F328-P336 HydrophobicContact CE2-CB 4.34Å; F328-P336 HydrophobicContact CG-CB 3.74Å; F328-P336 HydrophobicContact CG-CG 3.86Å; F328-P336 HydrophobicContact CZ-CB 4.12Å; F328-D340 HydrophobicContact CE1-CB 4.44Å; F328-D340 HydrophobicContact CE2-CB 3.7Å; F328-D340 HydrophobicContact CZ-CB 3.65Å; F328-D340 VanDerWaalsContact CZ-CG 3.45Å |
| 329 | E | 96.6 | Very high | 95.9 | Very high | 84 Ų | 84 | 95.8 Ų | 95.8 | 39% | 0.393 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.6 | -35 | 177.9 | -170.1 | 158.5 | -164.2 | 0 | 0 | 111.9 | E325 E326 K327 K333 Y334 R335 | E325-E329 VanDerWaalsContact O-CB 3.26Å; E325-E329 WeakPolarHBondContact O-CB 3.28Å; E325-E329 PolarHBondContact O-N 2.76Å; E326-E329 PolarHBondContact O-N 3.34Å; K327-E329 VanDerWaalsContact C-N 3.35Å; E329-K333 VanDerWaalsContact O-CA 3.24Å; E329-K333 WeakPolarHBondContact O-CA 3.32Å; E329-K333 PolarHBondContact O-N 2.87Å; E329-Y334 WeakPolarHBondContact CA-O 3.4Å; E329-R335 WeakPolarHBondContact OE2-CG 3.05Å |
| 330 | Q | 96.9 | Very high | 95.7 | Very high | 115 Ų | 115 | 90.6 Ų | 90.6 | 54% | 0.537 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 169.5 | -73.3 | 169.3 | 10.1 | 0 | 0 | 112.9 | E326 K327 K333 | E326-Q330 WeakPolarHBondContact O-CB 3.27Å; E326-Q330 VanDerWaalsContact O-CG 3.26Å; E326-Q330 WeakPolarHBondContact O-CG 3.31Å; E326-Q330 PolarHBondContact O-N 2.93Å; K327-Q330 PolarHBondContact O-N 2.8Å; Q330-K333 WeakPolarHBondContact O-CE 3.5Å; Q330-K333 PolarHBondContact O-NZ 2.62Å |
| 331 | E | 94.9 | Very high | 95.5 | Very high | 128 Ų | 128 | 87.4 Ų | 87.4 | 60% | 0.598 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -78.7 | -54.4 | -178.4 | -166.9 | -160.5 | 145.4 | 0 | 0 | 112.3 | K327 F328 | K327-E331 WeakPolarHBondContact O-CB 3.31Å; K327-E331 PolarHBondContact O-N 2.88Å; F328-E331 PolarHBondContact O-N 3.4Å |
| 332 | K | 93.5 | Very high | 95.3 | Very high | 95 Ų | 95 | 89 Ų | 89 | 41% | 0.413 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -90.4 | -9.8 | -170.8 | -54.4 | -51.8 | -167.8 | -169.2 | 0 | 114.3 | F328 Y334 | F328-K332 HydrophobicContact CD1-CB 4.04Å; F328-K332 HydrophobicContact CD1-CG 3.88Å; F328-K332 HydrophobicContact CD2-CG 4.28Å; F328-K332 HydrophobicContact CE1-CB 3.76Å; F328-K332 HydrophobicContact CE1-CG 3.62Å; F328-K332 HydrophobicContact CE2-CG 4.04Å; F328-K332 HydrophobicContact CG-CG 4.21Å; F328-K332 HydrophobicContact CZ-CB 4.29Å; F328-K332 HydrophobicContact CZ-CG 3.72Å; F328-K332 WeakPolarHBondContact O-CB 3.34Å; F328-K332 PolarHBondContact O-N 3.24Å; K332-Y334 HydrophobicContact CB-CD1 3.95Å; K332-Y334 HydrophobicContact CB-CE1 3.63Å; K332-Y334 WeakPolarHBondContact O-CD1 3.27Å; K332-Y334 PolarHBondContact O-N 2.88Å |
| 333 | K | 91.9 | Very high | 95.2 | Very high | 171 Ų | 171 | 85.8 Ų | 85.8 | 74% | 0.743 | 41% | 0.412 | S | S | * | . | S | Bend | trans | 61.9 | 16.8 | -177.5 | -47.6 | -53.5 | -176.4 | -169.6 | 0 | 115.4 | E329 Q330 | E329-K333 VanDerWaalsContact O-CA 3.24Å; E329-K333 WeakPolarHBondContact O-CA 3.32Å; E329-K333 PolarHBondContact O-N 2.87Å; Q330-K333 WeakPolarHBondContact O-CE 3.5Å; Q330-K333 PolarHBondContact O-NZ 2.62Å |
| 334 | Y | 94.8 | Very high | 95.1 | Very high | 121 Ų | 121 | 81.4 Ų | 81.4 | 48% | 0.475 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -139.4 | 150.8 | 165.9 | 63.5 | -91 | 0 | 0 | 0 | 110.2 | F328 E329 K332 | F328-Y334 AromaticContact CE1-CD2 3.99Å; F328-Y334 HydrophobicContact CE1-CD2 3.99Å; F328-Y334 AromaticContact CE1-CE2 3.48Å; F328-Y334 HydrophobicContact CE1-CE2 3.48Å; F328-Y334 VanDerWaalsContact CE1-CE2 3.48Å; F328-Y334 AromaticContact CE1-CZ 3.81Å; F328-Y334 AromaticContact CZ-CE2 3.88Å; F328-Y334 HydrophobicContact CZ-CE2 3.88Å; F328-Y334 AromaticContact CZ-CZ 3.97Å; E329-Y334 WeakPolarHBondContact CA-O 3.4Å; K332-Y334 HydrophobicContact CB-CD1 3.95Å; K332-Y334 HydrophobicContact CB-CE1 3.63Å; K332-Y334 WeakPolarHBondContact O-CD1 3.27Å; K332-Y334 PolarHBondContact O-N 2.88Å |
| 335 | R | 94.2 | Very high | 95 | Very high | 156 Ų | 156 | 84.5 Ų | 84.5 | 59% | 0.589 | 42% | 0.419 | S | S | * | . | trans | -66.6 | 130.3 | 177.8 | -168.3 | 171.8 | -175.2 | 177.5 | 3.7 | 110.8 | E325 E329 S337 | E325-R335 IonicContact OE2-CZ 2.77Å; E325-R335 IonicContact OE2-NE 3.61Å; E325-R335 IonicContact OE2-NH2 2.71Å; E325-R335 PolarHBondContact OE2-NH2 3.27Å; E329-R335 WeakPolarHBondContact OE2-CG 3.05Å; R335-S337 PolarHBondContact O-N 3.37Å | ||
| 336 | P | 94.1 | Very high | 94.9 | Very high | 5 Ų | 5 | 88.4 Ų | 88.4 | 3% | 0.032 | 44% | 0.437 | C | S | . | . | trans | -61.9 | 136 | -176.8 | 19.2 | -27.6 | 0 | 0 | 0 | 112.2 | F324 E325 F328 D340 K341 | F324-P336 HydrophobicContact CE1-CB 4.31Å; F324-P336 HydrophobicContact CE1-CG 4.3Å; E325-P336 HydrophobicContact CB-CG 4.21Å; E325-P336 HydrophobicContact CG-CG 4.19Å; F328-P336 HydrophobicContact CB-CB 4.31Å; F328-P336 HydrophobicContact CB-CG 3.89Å; F328-P336 HydrophobicContact CD1-CB 3.51Å; F328-P336 HydrophobicContact CD1-CG 3.75Å; F328-P336 HydrophobicContact CD2-CB 4.16Å; F328-P336 HydrophobicContact CE1-CB 3.72Å; F328-P336 HydrophobicContact CE1-CG 4.42Å; F328-P336 HydrophobicContact CE2-CB 4.34Å; F328-P336 HydrophobicContact CG-CB 3.74Å; F328-P336 HydrophobicContact CG-CG 3.86Å; F328-P336 HydrophobicContact CZ-CB 4.12Å; P336-D340 HydrophobicContact CB-CB 3.67Å; P336-K341 HydrophobicContact CB-CG 4.27Å; P336-K341 WeakPolarHBondContact O-CE 3.36Å; P336-K341 PolarHBondContact O-NZ 2.88Å; P336-K341 VanDerWaalsContact O-NZ 3.12Å | ||
| 337 | S | 93.7 | Very high | 94.9 | Very high | 61 Ų | 61 | 83.3 Ų | 83.3 | 43% | 0.427 | 41% | 0.413 | S | S | . | . | trans | -70 | -173.3 | 174 | 73.5 | 0 | 0 | 0 | 0 | 111.8 | R335 G339 D340 K341 | R335-S337 PolarHBondContact O-N 3.37Å; S337-G339 PolarHBondContact OG-N 3.31Å; S337-D340 WeakPolarHBondContact CA-OD2 3.38Å; S337-D340 WeakPolarHBondContact CB-OD2 3.14Å; S337-D340 PolarHBondContact N-OD2 3.01Å; S337-D340 VanDerWaalsContact OG-CG 3.31Å; S337-D340 PolarHBondContact OG-N 2.87Å; S337-D340 PolarHBondContact OG-OD2 2.65Å; S337-K341 WeakPolarHBondContact O-CD 3.27Å; S337-K341 VanDerWaalsContact O-CE 3.28Å; S337-K341 WeakPolarHBondContact O-CE 3.34Å; S337-K341 WeakPolarHBondContact O-CG 3.3Å | ||
| 338 | H | 94.4 | Very high | 95 | Very high | 132 Ų | 132 | 79.9 Ų | 79.9 | 61% | 0.611 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -66.7 | -42.4 | 168.7 | -171.7 | 17.1 | 0 | 0 | 0 | 111.5 | D340 K341 T342 | H338-D340 PolarHBondContact O-N 2.99Å; H338-K341 PolarHBondContact O-N 3.44Å; H338-T342 VanDerWaalsContact CE1-CG2 3.45Å; H338-T342 WeakPolarHBondContact CE1-CG2 3.1Å; H338-T342 PolarHBondContact O-N 2.84Å; H338-T342 VanDerWaalsContact O-N 3.12Å; H338-T342 PolarHBondContact O-OG1 2.81Å |
| 339 | G | 95 | Very high | 95 | Very high | 34 Ų | 34 | 85.2 Ų | 85.2 | 35% | 0.351 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -57.2 | -50.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S337 K341 T342 S343 | S337-G339 PolarHBondContact OG-N 3.31Å; G339-K341 PolarHBondContact O-N 2.91Å; G339-T342 WeakPolarHBondContact CA-OG1 3.38Å; G339-T342 CarbonylContact O-C 3.56Å; G339-T342 WeakPolarHBondContact O-CA 3.3Å; G339-T342 PolarHBondContact O-N 2.87Å; G339-T342 PolarHBondContact O-OG1 3.23Å; G339-S343 PolarHBondContact O-N 2.71Å; G339-S343 PolarHBondContact O-OG 3.08Å; G339-S343 VanDerWaalsContact O-OG 3.04Å |
| 340 | D | 93.5 | Very high | 95.1 | Very high | 38 Ų | 38 | 83.1 Ų | 83.1 | 20% | 0.203 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -56.8 | -36.1 | -180 | -56.8 | -54.3 | 0 | 0 | 0 | 113.2 | F328 P336 S337 H338 | F328-D340 HydrophobicContact CE1-CB 4.44Å; F328-D340 HydrophobicContact CE2-CB 3.7Å; F328-D340 HydrophobicContact CZ-CB 3.65Å; F328-D340 VanDerWaalsContact CZ-CG 3.45Å; P336-D340 HydrophobicContact CB-CB 3.67Å; S337-D340 WeakPolarHBondContact CA-OD2 3.38Å; S337-D340 WeakPolarHBondContact CB-OD2 3.14Å; S337-D340 PolarHBondContact N-OD2 3.01Å; S337-D340 VanDerWaalsContact OG-CG 3.31Å; S337-D340 PolarHBondContact OG-N 2.87Å; S337-D340 PolarHBondContact OG-OD2 2.65Å; H338-D340 PolarHBondContact O-N 2.99Å |
| 341 | K | 94.3 | Very high | 95.2 | Very high | 30 Ų | 30 | 80.5 Ų | 80.5 | 13% | 0.13 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -75.6 | -27 | 177.2 | -66 | 168.5 | -159.1 | 179.4 | 0 | 112.7 | F324 E325 P336 S337 H338 G339 V347 L348 M351 | F324-K341 HydrophobicContact CD1-CG 4.33Å; F324-K341 HydrophobicContact CE1-CG 3.93Å; E325-K341 WeakPolarHBondContact OE1-CE 3.44Å; E325-K341 IonicContact OE1-NZ 3.4Å; E325-K341 PolarHBondContact OE1-NZ 3.15Å; P336-K341 HydrophobicContact CB-CG 4.27Å; P336-K341 WeakPolarHBondContact O-CE 3.36Å; P336-K341 PolarHBondContact O-NZ 2.88Å; P336-K341 VanDerWaalsContact O-NZ 3.12Å; S337-K341 WeakPolarHBondContact O-CD 3.27Å; S337-K341 VanDerWaalsContact O-CE 3.28Å; S337-K341 WeakPolarHBondContact O-CE 3.34Å; S337-K341 WeakPolarHBondContact O-CG 3.3Å; H338-K341 PolarHBondContact O-N 3.44Å; G339-K341 PolarHBondContact O-N 2.91Å; K341-V347 HydrophobicContact CB-CG1 3.86Å; K341-V347 HydrophobicContact CG-CG1 4.24Å; K341-V347 WeakPolarHBondContact O-CB 3.37Å; K341-V347 WeakPolarHBondContact O-CG1 3.43Å; K341-L348 PolarHBondContact O-N 2.97Å; K341-M351 HydrophobicContact CB-SD 3.93Å |
| 342 | T | 94 | Very high | 95.3 | Very high | 51 Ų | 51 | 78.4 Ų | 78.4 | 31% | 0.313 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -85.2 | -28.6 | 174.9 | 51.9 | 0 | 0 | 0 | 0 | 112.9 | H338 G339 N344 L348 | H338-T342 VanDerWaalsContact CE1-CG2 3.45Å; H338-T342 WeakPolarHBondContact CE1-CG2 3.1Å; H338-T342 PolarHBondContact O-N 2.84Å; H338-T342 VanDerWaalsContact O-N 3.12Å; H338-T342 PolarHBondContact O-OG1 2.81Å; G339-T342 WeakPolarHBondContact CA-OG1 3.38Å; G339-T342 CarbonylContact O-C 3.56Å; G339-T342 WeakPolarHBondContact O-CA 3.3Å; G339-T342 PolarHBondContact O-N 2.87Å; G339-T342 PolarHBondContact O-OG1 3.23Å; T342-N344 VanDerWaalsContact C-N 3.25Å; T342-N344 PolarHBondContact O-N 3.32Å; T342-L348 HydrophobicContact CG2-CD1 4.18Å |
| 343 | S | 94.1 | Very high | 95.5 | Very high | 100 Ų | 100 | 75.6 Ų | 75.6 | 70% | 0.699 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -66.5 | -25.5 | 174.3 | -59.4 | 0 | 0 | 0 | 0 | 112.8 | G339 | G339-S343 PolarHBondContact O-N 2.71Å; G339-S343 PolarHBondContact O-OG 3.08Å; G339-S343 VanDerWaalsContact O-OG 3.04Å |
| 344 | N | 94.8 | Very high | 95.8 | Very high | 48 Ų | 48 | 68.1 Ų | 68.1 | 26% | 0.257 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -88.4 | 116.4 | 169.3 | -175.9 | -66.8 | 0 | 0 | 0 | 110.6 | F324 T342 E346 V347 L348 | F324-N344 HydrophobicContact CE2-CB 4Å; F324-N344 HydrophobicContact CZ-CB 4.05Å; T342-N344 VanDerWaalsContact C-N 3.25Å; T342-N344 PolarHBondContact O-N 3.32Å; N344-E346 VanDerWaalsContact C-N 3.34Å; N344-E346 PolarHBondContact O-N 3.29Å; N344-E346 WeakPolarHBondContact OD1-CB 3.42Å; N344-E346 PolarHBondContact OD1-N 3.21Å; N344-V347 HydrophobicContact CB-CB 4.07Å; N344-V347 HydrophobicContact CB-CG2 3.93Å; N344-V347 PolarHBondContact O-N 2.83Å; N344-V347 WeakPolarHBondContact OD1-CG2 3.46Å; N344-V347 PolarHBondContact OD1-N 2.9Å; N344-L348 WeakPolarHBondContact O-CB 3.35Å; N344-L348 PolarHBondContact O-N 3.12Å |
| 345 | P | 95.7 | Very high | 96 | Very high | 99 Ų | 99 | 64.7 Ų | 64.7 | 64% | 0.643 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -69.1 | -27.9 | -174.6 | 27.2 | -34.9 | 0 | 0 | 0 | 113.5 | K349 | P345-K349 VanDerWaalsContact O-CB 3.28Å; P345-K349 WeakPolarHBondContact O-CB 3.44Å; P345-K349 PolarHBondContact O-N 2.97Å |
| 346 | E | 96.6 | Very high | 96.1 | Very high | 116 Ų | 116 | 62 Ų | 62 | 54% | 0.542 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70 | -42.9 | 175.1 | -56.6 | -156.5 | 131.5 | 0 | 0 | 111.5 | N344 K349 W350 | N344-E346 VanDerWaalsContact C-N 3.34Å; N344-E346 PolarHBondContact O-N 3.29Å; N344-E346 WeakPolarHBondContact OD1-CB 3.42Å; N344-E346 PolarHBondContact OD1-N 3.21Å; E346-K349 WeakPolarHBondContact O-CB 3.49Å; E346-K349 PolarHBondContact O-N 3.31Å; E346-W350 HydrophobicContact CB-CH2 4Å; E346-W350 HydrophobicContact CB-CZ2 3.66Å; E346-W350 HydrophobicContact CG-CZ2 4.48Å; E346-W350 VanDerWaalsContact O-CD1 3.31Å; E346-W350 VanDerWaalsContact O-CD2 3.27Å; E346-W350 PolarHBondContact O-N 3.27Å; E346-W350 WeakPolarHBondContact OE2-CZ2 3.34Å |
| 347 | V | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.8 | -43.2 | 179.3 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | F324 K341 N344 K349 W350 M351 | F324-V347 HydrophobicContact CB-CG2 3.72Å; F324-V347 HydrophobicContact CD1-CB 4.36Å; F324-V347 HydrophobicContact CD1-CG1 3.94Å; F324-V347 HydrophobicContact CD1-CG2 3.58Å; F324-V347 HydrophobicContact CD2-CG2 3.49Å; F324-V347 VanDerWaalsContact CD2-CG2 3.49Å; F324-V347 HydrophobicContact CE1-CG1 4.28Å; F324-V347 HydrophobicContact CE1-CG2 4.03Å; F324-V347 HydrophobicContact CE2-CG2 3.94Å; F324-V347 HydrophobicContact CG-CB 4.47Å; F324-V347 HydrophobicContact CG-CG1 4.43Å; F324-V347 HydrophobicContact CG-CG2 3.28Å; F324-V347 HydrophobicContact CZ-CG2 4.18Å; K341-V347 HydrophobicContact CB-CG1 3.86Å; K341-V347 HydrophobicContact CG-CG1 4.24Å; K341-V347 WeakPolarHBondContact O-CB 3.37Å; K341-V347 WeakPolarHBondContact O-CG1 3.43Å; N344-V347 HydrophobicContact CB-CB 4.07Å; N344-V347 HydrophobicContact CB-CG2 3.93Å; N344-V347 PolarHBondContact O-N 2.83Å; N344-V347 WeakPolarHBondContact OD1-CG2 3.46Å; N344-V347 PolarHBondContact OD1-N 2.9Å; V347-K349 VanDerWaalsContact C-N 3.32Å; V347-K349 PolarHBondContact O-N 3.38Å; V347-W350 HydrophobicContact CG2-CE3 4.11Å; V347-W350 HydrophobicContact CG2-CZ3 3.91Å; V347-W350 PolarHBondContact O-N 2.83Å; V347-M351 HydrophobicContact CG1-SD 4.28Å; V347-M351 WeakPolarHBondContact O-CB 3.43Å; V347-M351 WeakPolarHBondContact O-CG 3.32Å; V347-M351 PolarHBondContact O-N 2.94Å |
| 348 | L | 97.2 | Very high | 96.4 | Very high | 73 Ų | 73 | 65 Ų | 65 | 38% | 0.382 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -55.3 | -47.1 | 170.8 | 176 | 58 | 0 | 0 | 0 | 111.2 | K341 T342 N344 M351 N352 | K341-L348 PolarHBondContact O-N 2.97Å; T342-L348 HydrophobicContact CG2-CD1 4.18Å; N344-L348 WeakPolarHBondContact O-CB 3.35Å; N344-L348 PolarHBondContact O-N 3.12Å; L348-M351 PolarHBondContact O-N 3.15Å; L348-N352 WeakPolarHBondContact O-CB 3.46Å; L348-N352 PolarHBondContact O-N 3.35Å |
| 349 | K | 97.9 | Very high | 96.6 | Very high | 132 Ų | 132 | 66 Ų | 66 | 57% | 0.574 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -59.9 | -48.9 | 175 | 179.1 | 175 | 179.9 | 175.7 | 0 | 111.7 | P345 E346 V347 M351 N352 D353 | P345-K349 VanDerWaalsContact O-CB 3.28Å; P345-K349 WeakPolarHBondContact O-CB 3.44Å; P345-K349 PolarHBondContact O-N 2.97Å; E346-K349 WeakPolarHBondContact O-CB 3.49Å; E346-K349 PolarHBondContact O-N 3.31Å; V347-K349 VanDerWaalsContact C-N 3.32Å; V347-K349 PolarHBondContact O-N 3.38Å; K349-M351 VanDerWaalsContact C-N 3.31Å; K349-M351 PolarHBondContact O-N 3.03Å; K349-N352 PolarHBondContact O-N 2.95Å; K349-N352 VanDerWaalsContact O-N 3.14Å; K349-D353 WeakPolarHBondContact CG-OD2 3.29Å; K349-D353 WeakPolarHBondContact O-CB 3.45Å; K349-D353 PolarHBondContact O-N 3.46Å |
| 350 | W | 98.3 | Very high | 96.7 | Very high | 40 Ų | 40 | 68.4 Ų | 68.4 | 15% | 0.152 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.3 | -35 | 178.2 | -57.2 | -21.9 | 0 | 0 | 0 | 112.6 | L317 K320 I321 E346 V347 L354 | L317-W350 HydrophobicContact CD2-CB 4.02Å; L317-W350 HydrophobicContact CD2-CG 4.08Å; K320-W350 HydrophobicContact CB-CD2 3.78Å; K320-W350 HydrophobicContact CB-CE3 3.53Å; K320-W350 HydrophobicContact CB-CG 4.43Å; K320-W350 HydrophobicContact CB-CH2 4.31Å; K320-W350 HydrophobicContact CB-CZ3 3.82Å; K320-W350 HydrophobicContact CD-CD2 3.93Å; K320-W350 HydrophobicContact CD-CE3 4.43Å; K320-W350 HydrophobicContact CD-CG 4.41Å; K320-W350 HydrophobicContact CD-CH2 4.4Å; K320-W350 HydrophobicContact CD-CZ2 3.88Å; I321-W350 HydrophobicContact CD1-CB 4.13Å; I321-W350 HydrophobicContact CG1-CB 3.85Å; I321-W350 HydrophobicContact CG1-CE3 4.34Å; E346-W350 HydrophobicContact CB-CH2 4Å; E346-W350 HydrophobicContact CB-CZ2 3.66Å; E346-W350 HydrophobicContact CG-CZ2 4.48Å; E346-W350 VanDerWaalsContact O-CD1 3.31Å; E346-W350 VanDerWaalsContact O-CD2 3.27Å; E346-W350 PolarHBondContact O-N 3.27Å; E346-W350 WeakPolarHBondContact OE2-CZ2 3.34Å; V347-W350 HydrophobicContact CG2-CE3 4.11Å; V347-W350 HydrophobicContact CG2-CZ3 3.91Å; V347-W350 PolarHBondContact O-N 2.83Å; W350-L354 WeakPolarHBondContact O-CB 3.45Å; W350-L354 PolarHBondContact O-N 2.95Å |
| 351 | M | 97.7 | Very high | 96.8 | Very high | 60 Ų | 60 | 68 Ų | 68 | 30% | 0.296 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 173 | -76.3 | 178.7 | 59.3 | 0 | 0 | 111.5 | I321 K341 V347 L348 K349 A355 | I321-M351 HydrophobicContact CD1-CG 3.83Å; I321-M351 HydrophobicContact CG1-CG 4.35Å; K341-M351 HydrophobicContact CB-SD 3.93Å; V347-M351 HydrophobicContact CG1-SD 4.28Å; V347-M351 WeakPolarHBondContact O-CB 3.43Å; V347-M351 WeakPolarHBondContact O-CG 3.32Å; V347-M351 PolarHBondContact O-N 2.94Å; L348-M351 PolarHBondContact O-N 3.15Å; K349-M351 VanDerWaalsContact C-N 3.31Å; K349-M351 PolarHBondContact O-N 3.03Å; M351-A355 PolarHBondContact O-N 3.41Å |
| 352 | N | 98.1 | Very high | 96.9 | Very high | 85 Ų | 85 | 73.8 Ų | 73.8 | 46% | 0.455 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.7 | -48.8 | 178 | -137.1 | -71.2 | 0 | 0 | 0 | 111.5 | L348 K349 L354 A355 K356 | L348-N352 WeakPolarHBondContact O-CB 3.46Å; L348-N352 PolarHBondContact O-N 3.35Å; K349-N352 PolarHBondContact O-N 2.95Å; K349-N352 VanDerWaalsContact O-N 3.14Å; N352-L354 VanDerWaalsContact C-N 3.29Å; N352-L354 PolarHBondContact O-N 2.95Å; N352-A355 WeakPolarHBondContact O-CA 3.26Å; N352-A355 WeakPolarHBondContact O-CB 3.46Å; N352-A355 PolarHBondContact O-N 2.97Å; N352-K356 WeakPolarHBondContact O-CG 3.39Å; N352-K356 PolarHBondContact O-N 2.87Å; N352-K356 WeakPolarHBondContact OD1-CE 3.36Å |
| 353 | D | 97.8 | Very high | 96.9 | Very high | 36 Ų | 36 | 76 Ų | 76 | 19% | 0.193 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.3 | -30.6 | 178.8 | -63.9 | -21 | 0 | 0 | 0 | 111.7 | L317 K349 A355 K356 G357 | L317-D353 HydrophobicContact CD1-CB 3.77Å; K349-D353 WeakPolarHBondContact CG-OD2 3.29Å; K349-D353 WeakPolarHBondContact O-CB 3.45Å; K349-D353 PolarHBondContact O-N 3.46Å; D353-A355 VanDerWaalsContact C-N 3.35Å; D353-K356 PolarHBondContact O-N 3.1Å; D353-K356 IonicContact OD1-NZ 2.94Å; D353-K356 PolarHBondContact OD1-NZ 3.48Å; D353-G357 PolarHBondContact O-N 3.26Å |
| 354 | L | 97.9 | Very high | 96.9 | Very high | 14 Ų | 14 | 74 Ų | 74 | 7% | 0.073 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.4 | -35.9 | 170.4 | 176.2 | 60.4 | 0 | 0 | 0 | 111.7 | I314 L317 K318 I321 W350 N352 R358 | I314-L354 HydrophobicContact CB-CD1 4.33Å; I314-L354 HydrophobicContact CG1-CD1 4.47Å; I314-L354 HydrophobicContact CG2-CD1 3.76Å; L317-L354 HydrophobicContact CB-CB 4.19Å; L317-L354 HydrophobicContact CB-CD1 4.41Å; L317-L354 HydrophobicContact CD1-CB 4.01Å; L317-L354 VanDerWaalsContact CD1-N 3.31Å; K318-L354 HydrophobicContact CG-CD1 4Å; K318-L354 HydrophobicContact CG-CD2 4.09Å; I321-L354 HydrophobicContact CD1-CD2 3.63Å; W350-L354 WeakPolarHBondContact O-CB 3.45Å; W350-L354 PolarHBondContact O-N 2.95Å; N352-L354 VanDerWaalsContact C-N 3.29Å; N352-L354 PolarHBondContact O-N 2.95Å; L354-R358 HydrophobicContact CD1-CG 4.36Å; L354-R358 VanDerWaalsContact O-CB 3.32Å; L354-R358 WeakPolarHBondContact O-CB 3.24Å; L354-R358 WeakPolarHBondContact O-CD 3.5Å; L354-R358 WeakPolarHBondContact O-CG 3.33Å; L354-R358 PolarHBondContact O-N 3Å; L354-R358 VanDerWaalsContact O-N 3.17Å |
| 355 | A | 98.1 | Very high | 96.8 | Very high | 48 Ų | 48 | 77.2 Ų | 77.2 | 40% | 0.397 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -71.2 | -42.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | M351 N352 D353 K359 | M351-A355 PolarHBondContact O-N 3.41Å; N352-A355 WeakPolarHBondContact O-CA 3.26Å; N352-A355 WeakPolarHBondContact O-CB 3.46Å; N352-A355 PolarHBondContact O-N 2.97Å; D353-A355 VanDerWaalsContact C-N 3.35Å; A355-K359 WeakPolarHBondContact O-CG 3.5Å; A355-K359 PolarHBondContact O-N 2.95Å |
| 356 | K | 97.6 | Very high | 96.6 | Very high | 101 Ų | 101 | 78 Ų | 78 | 44% | 0.439 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.6 | -53.9 | 174.6 | -65.9 | 170.9 | -162.9 | 160.9 | 0 | 111.3 | N352 D353 R358 K359 Q360 | N352-K356 WeakPolarHBondContact O-CG 3.39Å; N352-K356 PolarHBondContact O-N 2.87Å; N352-K356 WeakPolarHBondContact OD1-CE 3.36Å; D353-K356 PolarHBondContact O-N 3.1Å; D353-K356 IonicContact OD1-NZ 2.94Å; D353-K356 PolarHBondContact OD1-NZ 3.48Å; K356-R358 VanDerWaalsContact C-N 3.29Å; K356-R358 PolarHBondContact O-N 3.1Å; K356-K359 WeakPolarHBondContact O-CA 3.42Å; K356-K359 WeakPolarHBondContact O-CB 3.2Å; K356-K359 PolarHBondContact O-N 2.75Å; K356-Q360 PolarHBondContact O-N 2.83Å; K356-Q360 PolarHBondContact O-OE1 3.27Å |
| 357 | G | 97.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 77.4 Ų | 77.4 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.5 | -37.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D353 K359 Q360 L361 | D353-G357 PolarHBondContact O-N 3.26Å; G357-K359 VanDerWaalsContact C-N 3.29Å; G357-K359 PolarHBondContact O-N 3.03Å; G357-Q360 PolarHBondContact O-N 3.02Å; G357-L361 VanDerWaalsContact O-CB 3.26Å; G357-L361 WeakPolarHBondContact O-CB 3.21Å; G357-L361 PolarHBondContact O-N 3.18Å |
| 358 | R | 97.4 | Very high | 95.4 | Very high | 126 Ų | 126 | 81.8 Ų | 81.8 | 48% | 0.475 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.6 | -27.7 | 172.7 | -77.4 | 171.6 | -177 | -177.4 | 3.7 | 113.9 | I314 L354 K356 K362 | I314-R358 HydrophobicContact CD1-CG 4.38Å; L354-R358 HydrophobicContact CD1-CG 4.36Å; L354-R358 VanDerWaalsContact O-CB 3.32Å; L354-R358 WeakPolarHBondContact O-CB 3.24Å; L354-R358 WeakPolarHBondContact O-CD 3.5Å; L354-R358 WeakPolarHBondContact O-CG 3.33Å; L354-R358 PolarHBondContact O-N 3Å; L354-R358 VanDerWaalsContact O-N 3.17Å; K356-R358 VanDerWaalsContact C-N 3.29Å; K356-R358 PolarHBondContact O-N 3.1Å; R358-K362 WeakPolarHBondContact O-CG 3.31Å; R358-K362 PolarHBondContact O-N 3.2Å |
| 359 | K | 97.1 | Very high | 94.5 | Very high | 154 Ų | 154 | 82.4 Ų | 82.4 | 67% | 0.67 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -74.2 | -53.8 | 172.4 | -69.1 | 172.6 | 179.2 | -179.1 | 0 | 110 | A355 K356 G357 L361 K362 E363 | A355-K359 WeakPolarHBondContact O-CG 3.5Å; A355-K359 PolarHBondContact O-N 2.95Å; K356-K359 WeakPolarHBondContact O-CA 3.42Å; K356-K359 WeakPolarHBondContact O-CB 3.2Å; K356-K359 PolarHBondContact O-N 2.75Å; G357-K359 VanDerWaalsContact C-N 3.29Å; G357-K359 PolarHBondContact O-N 3.03Å; K359-L361 VanDerWaalsContact C-N 3.26Å; K359-L361 PolarHBondContact O-N 3.24Å; K359-K362 WeakPolarHBondContact O-CB 3.42Å; K359-K362 PolarHBondContact O-N 3.4Å; K359-E363 PolarHBondContact O-N 3.23Å |
| 360 | Q | 96.9 | Very high | 93.5 | Very high | 84 Ų | 84 | 82.8 Ų | 82.8 | 39% | 0.393 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -55.2 | -39.4 | 177.7 | -68.8 | 167.4 | -66.6 | 0 | 0 | 112.1 | L310 K356 G357 K362 E363 L364 | L310-Q360 HydrophobicContact CD2-CB 3.59Å; K356-Q360 PolarHBondContact O-N 2.83Å; K356-Q360 PolarHBondContact O-OE1 3.27Å; G357-Q360 PolarHBondContact O-N 3.02Å; Q360-K362 VanDerWaalsContact C-N 3.33Å; Q360-K362 PolarHBondContact O-N 2.78Å; Q360-E363 PolarHBondContact O-N 2.76Å; Q360-L364 WeakPolarHBondContact O-CB 3.47Å; Q360-L364 WeakPolarHBondContact O-CG 3.16Å; Q360-L364 PolarHBondContact O-N 3.27Å |
| 361 | L | 96.1 | Very high | 91.8 | Very high | 28 Ų | 28 | 87.3 Ų | 87.3 | 15% | 0.147 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -69.6 | -29.1 | 178.6 | -177 | 62.4 | 0 | 0 | 0 | 112.8 | I307 L310 I314 G357 K359 K365 | I307-L361 HydrophobicContact CB-CD1 4.32Å; I307-L361 HydrophobicContact CG1-CD1 4.39Å; I307-L361 HydrophobicContact CG2-CD1 3.81Å; L310-L361 HydrophobicContact CD2-CB 3.79Å; L310-L361 HydrophobicContact CD2-CD1 4.44Å; L310-L361 VanDerWaalsContact CD2-N 3.34Å; L310-L361 HydrophobicContact CG-CB 4.17Å; I314-L361 HydrophobicContact CD1-CB 3.89Å; I314-L361 HydrophobicContact CD1-CD2 3.54Å; I314-L361 HydrophobicContact CD1-CG 4.32Å; G357-L361 VanDerWaalsContact O-CB 3.26Å; G357-L361 WeakPolarHBondContact O-CB 3.21Å; G357-L361 PolarHBondContact O-N 3.18Å; K359-L361 VanDerWaalsContact C-N 3.26Å; K359-L361 PolarHBondContact O-N 3.24Å; L361-K365 HydrophobicContact CD1-CD 4.48Å; L361-K365 WeakPolarHBondContact O-CB 3.4Å; L361-K365 VanDerWaalsContact O-CG 3.24Å; L361-K365 WeakPolarHBondContact O-CG 2.76Å; L361-K365 PolarHBondContact O-N 3.19Å |
| 362 | K | 96.2 | Very high | 89.6 | Confident | 153 Ų | 153 | 92.7 Ų | 92.7 | 67% | 0.665 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -73.5 | -45.5 | 171.3 | -74.4 | 179 | 175.2 | -166.9 | 0 | 110.4 | R358 K359 Q360 K365 L366 | R358-K362 WeakPolarHBondContact O-CG 3.31Å; R358-K362 PolarHBondContact O-N 3.2Å; K359-K362 WeakPolarHBondContact O-CB 3.42Å; K359-K362 PolarHBondContact O-N 3.4Å; Q360-K362 VanDerWaalsContact C-N 3.33Å; Q360-K362 PolarHBondContact O-N 2.78Å; K362-K365 PolarHBondContact O-N 2.58Å; K362-L366 WeakPolarHBondContact O-CG 3.37Å; K362-L366 PolarHBondContact O-N 2.76Å |
| 363 | E | 95.5 | Very high | 87.1 | Confident | 96 Ų | 96 | 91.7 Ų | 91.7 | 45% | 0.449 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.2 | -50.2 | 179.9 | -169.3 | -172.1 | 149 | 0 | 0 | 112.2 | K359 Q360 K365 L366 K367 | K359-E363 PolarHBondContact O-N 3.23Å; Q360-E363 PolarHBondContact O-N 2.76Å; E363-K365 VanDerWaalsContact C-N 3.29Å; E363-K365 PolarHBondContact O-N 2.72Å; E363-L366 PolarHBondContact O-N 3.23Å; E363-L366 VanDerWaalsContact O-N 3.12Å; E363-K367 PolarHBondContact O-N 2.83Å; E363-K367 WeakPolarHBondContact OE1-CE 3.03Å; E363-K367 IonicContact OE1-NZ 2.87Å; E363-K367 PolarHBondContact OE1-NZ 3.27Å |
| 364 | L | 93.6 | Very high | 84.2 | Confident | 58 Ų | 58 | 93.8 Ų | 93.8 | 30% | 0.304 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.4 | -33.9 | 177.5 | -68.9 | 170.1 | 0 | 0 | 0 | 112.7 | Q305 I307 L310 Q360 L368 | Q305-L364 VanDerWaalsContact O-CD1 3.24Å; Q305-L364 WeakPolarHBondContact O-CD1 3.32Å; I307-L364 HydrophobicContact CD1-CB 4.17Å; I307-L364 HydrophobicContact CG1-CB 3.82Å; I307-L364 HydrophobicContact CG1-CD1 4.48Å; L310-L364 HydrophobicContact CD2-CD1 4.01Å; Q360-L364 WeakPolarHBondContact O-CB 3.47Å; Q360-L364 WeakPolarHBondContact O-CG 3.16Å; Q360-L364 PolarHBondContact O-N 3.27Å; L364-L368 PolarHBondContact O-N 3.35Å; L364-L368 VanDerWaalsContact O-N 3.12Å |
| 365 | K | 92.4 | Very high | 81.1 | Confident | 117 Ų | 117 | 97.3 Ų | 97.3 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -72.8 | -29.7 | 174 | -78.1 | -174.3 | 174.3 | -155.3 | 0 | 113.4 | I307 L361 K362 E363 S369 | I307-K365 HydrophobicContact CD1-CG 3.9Å; L361-K365 HydrophobicContact CD1-CD 4.48Å; L361-K365 WeakPolarHBondContact O-CB 3.4Å; L361-K365 VanDerWaalsContact O-CG 3.24Å; L361-K365 WeakPolarHBondContact O-CG 2.76Å; L361-K365 PolarHBondContact O-N 3.19Å; K362-K365 PolarHBondContact O-N 2.58Å; E363-K365 VanDerWaalsContact C-N 3.29Å; E363-K365 PolarHBondContact O-N 2.72Å; K365-S369 WeakPolarHBondContact O-CB 3.31Å; K365-S369 PolarHBondContact O-N 3.45Å |
| 366 | L | 90.8 | Very high | 78.6 | Confident | 115 Ų | 115 | 101.2 Ų | 101.2 | 60% | 0.602 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -71 | -47.4 | 172.2 | -73.4 | 167.2 | 0 | 0 | 0 | 110.2 | K362 E363 L368 S369 E370 | K362-L366 WeakPolarHBondContact O-CG 3.37Å; K362-L366 PolarHBondContact O-N 2.76Å; E363-L366 PolarHBondContact O-N 3.23Å; E363-L366 VanDerWaalsContact O-N 3.12Å; L366-L368 PolarHBondContact O-N 3.12Å; L366-S369 CarbonylContact O-C 3.48Å; L366-S369 WeakPolarHBondContact O-CA 3.26Å; L366-S369 WeakPolarHBondContact O-CB 3.3Å; L366-S369 PolarHBondContact O-N 3.38Å; L366-E370 WeakPolarHBondContact O-CB 3.28Å; L366-E370 PolarHBondContact O-N 2.73Å |
| 367 | K | 89.1 | Confident | 75.8 | Confident | 104 Ų | 104 | 106.5 Ų | 106.5 | 45% | 0.452 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -56.4 | -47 | 177 | -69.7 | 179.1 | -175.4 | 173.4 | 0 | 112.4 | E363 S369 E370 E371 | E363-K367 PolarHBondContact O-N 2.83Å; E363-K367 WeakPolarHBondContact OE1-CE 3.03Å; E363-K367 IonicContact OE1-NZ 2.87Å; E363-K367 PolarHBondContact OE1-NZ 3.27Å; K367-S369 PolarHBondContact O-N 3.35Å; K367-E370 PolarHBondContact O-N 2.78Å; K367-E370 VanDerWaalsContact O-N 3.14Å; K367-E371 WeakPolarHBondContact O-CB 3.41Å; K367-E371 PolarHBondContact O-N 2.74Å |
| 368 | L | 80.5 | Confident | 72.9 | Confident | 91 Ų | 91 | 109.3 Ų | 109.3 | 48% | 0.476 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.1 | -24.7 | 173 | -72.7 | -170 | 0 | 0 | 0 | 114.4 | I307 L364 L366 Q372 | I307-L368 HydrophobicContact CD1-CD1 3.44Å; I307-L368 VanDerWaalsContact CD1-CD1 3.44Å; I307-L368 HydrophobicContact CD1-CG 4.18Å; L364-L368 PolarHBondContact O-N 3.35Å; L364-L368 VanDerWaalsContact O-N 3.12Å; L366-L368 PolarHBondContact O-N 3.12Å; L368-Q372 WeakPolarHBondContact O-CB 3.28Å; L368-Q372 WeakPolarHBondContact O-CG 3.01Å; L368-Q372 PolarHBondContact O-N 2.92Å |
| 369 | S | 79.2 | Confident | 70.1 | Confident | 86 Ų | 86 | 109 Ų | 109 | 60% | 0.601 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -84.8 | -19 | 175.8 | -170.9 | 0 | 0 | 0 | 0 | 113.1 | K365 L366 K367 | K365-S369 WeakPolarHBondContact O-CB 3.31Å; K365-S369 PolarHBondContact O-N 3.45Å; L366-S369 CarbonylContact O-C 3.48Å; L366-S369 WeakPolarHBondContact O-CA 3.26Å; L366-S369 WeakPolarHBondContact O-CB 3.3Å; L366-S369 PolarHBondContact O-N 3.38Å; K367-S369 PolarHBondContact O-N 3.35Å |
| 370 | E | 75.4 | Confident | 67.3 | Low | 141 Ų | 141 | 107.6 Ų | 107.6 | 66% | 0.659 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -87.7 | -46.2 | 178.8 | -173.3 | 169.4 | -167 | 0 | 0 | 109.8 | L366 K367 Q372 G373 S374 | L366-E370 WeakPolarHBondContact O-CB 3.28Å; L366-E370 PolarHBondContact O-N 2.73Å; K367-E370 PolarHBondContact O-N 2.78Å; K367-E370 VanDerWaalsContact O-N 3.14Å; E370-Q372 PolarHBondContact O-N 2.97Å; E370-G373 WeakPolarHBondContact O-CA 3.27Å; E370-G373 PolarHBondContact O-N 2.87Å; E370-S374 PolarHBondContact O-N 2.81Å |
| 371 | E | 62.8 | Low | 64.2 | Low | 134 Ų | 134 | 115 Ų | 115 | 63% | 0.626 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -60.5 | -40.8 | 174.6 | -165.1 | 174.4 | 119.4 | 0 | 0 | 112 | K367 G373 S374 | K367-E371 WeakPolarHBondContact O-CB 3.41Å; K367-E371 PolarHBondContact O-N 2.74Å; E371-G373 PolarHBondContact O-N 3.43Å; E371-S374 PolarHBondContact O-N 3.49Å; E371-S374 PolarHBondContact O-OG 2.79Å |
| 372 | Q | 51.7 | Low | 61.4 | Low | 173 Ų | 173 | 121.2 Ų | 121.2 | 81% | 0.808 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -3.7 | 172.8 | -66.9 | -77.9 | 73.6 | 0 | 0 | 113.8 | L368 E370 | L368-Q372 WeakPolarHBondContact O-CB 3.28Å; L368-Q372 WeakPolarHBondContact O-CG 3.01Å; L368-Q372 PolarHBondContact O-N 2.92Å; E370-Q372 PolarHBondContact O-N 2.97Å |
| 373 | G | 46 | Very low | 58.4 | Low | 65 Ų | 65 | 122.5 Ų | 122.5 | 67% | 0.67 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | -15.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | E370 E371 | E370-G373 WeakPolarHBondContact O-CA 3.27Å; E370-G373 PolarHBondContact O-N 2.87Å; E371-G373 PolarHBondContact O-N 3.43Å |
| 374 | S | 37.5 | Very low | 55.2 | Low | 79 Ų | 79 | 126 Ų | 126 | 55% | 0.552 | 69% | 0.693 | S | S | * | * | trans | -103.3 | 73.4 | -173.5 | 57.4 | 0 | 0 | 0 | 0 | 112.8 | E370 E371 | E370-S374 PolarHBondContact O-N 2.81Å; E371-S374 PolarHBondContact O-N 3.49Å; E371-S374 PolarHBondContact O-OG 2.79Å | ||
| 375 | A | 32.6 | Very low | 52 | Low | 88 Ų | 88 | 127.8 Ų | 127.8 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | trans | -63 | 134.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | K377 | A375-K377 PolarHBondContact O-N 3.4Š| ||
| 376 | P | 45.5 | Very low | 48.9 | Very low | 131 Ų | 131 | 131.2 Ų | 131.2 | 85% | 0.851 | 73% | 0.727 | S | S | * | * | trans | -63.3 | 125.9 | -178.9 | -23.3 | 33.9 | 0 | 0 | 0 | 112.3 | G378 | P376-G378 PolarHBondContact O-N 2.76Š| ||
| 377 | K | 38.4 | Very low | 46.3 | Very low | 212 Ų | 212 | 133.6 Ų | 133.6 | 92% | 0.922 | 74% | 0.735 | S | S | * | * | trans | -73 | 104.7 | 170.7 | -76.5 | -173.7 | 175.1 | -177.4 | 0 | 110.2 | A375 | A375-K377 PolarHBondContact O-N 3.4Š| ||
| 378 | G | 37 | Very low | 43.6 | Very low | 60 Ų | 60 | 134.8 Ų | 134.8 | 62% | 0.619 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 158.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | P376 | P376-G378 PolarHBondContact O-N 2.76Š|
| 379 | P | 37.4 | Very low | 41.1 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 145 | 179.6 | -18.8 | 32.5 | 0 | 0 | 0 | 112.5 | ||
| 380 | P | 39.7 | Very low | 39.1 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 137.6 | 176.4 | 30.3 | -34.2 | 0 | 0 | 0 | 111 | ||
| 381 | R | 31.7 | Very low | 37.3 | Very low | 238 Ų | 238 | 137.6 Ų | 137.6 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | trans | -120.7 | 115.1 | 169.9 | -61.2 | -170 | 70.3 | 164.9 | 1.9 | 108.8 | ||||
| 382 | N | 36.3 | Very low | 35.9 | Very low | 159 Ų | 159 | 141.5 Ų | 141.5 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | -68.6 | 131.5 | 173 | -63.5 | -54.6 | 0 | 0 | 0 | 110 | ||||
| 383 | L | 33.7 | Very low | 34.9 | Very low | 180 Ų | 180 | 140.1 Ų | 140.1 | 94% | 0.942 | 79% | 0.785 | S | S | * | * | trans | -142.7 | 161.7 | 152.2 | -83.2 | -172.9 | 0 | 0 | 0 | 109.6 | ||||
| 384 | L | 27 | Very low | 34 | Very low | 170 Ų | 170 | 143.9 Ų | 143.9 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | trans | -92.2 | 161.9 | -154.2 | -169.2 | 59 | 0 | 0 | 0 | 114 | ||||
| 385 | C | 28.1 | Very low | 33.6 | Very low | 95 Ų | 95 | 143.6 Ų | 143.6 | 64% | 0.642 | 80% | 0.799 | S | S | * | * | trans | -66.5 | 142.7 | 169.9 | 178.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 386 | E | 27.4 | Very low | 33.7 | Very low | 190 Ų | 190 | 149.2 Ų | 149.2 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | trans | -134.2 | 151.3 | 141.9 | -77.2 | -149 | 116.8 | 0 | 0 | 109.8 | ||||
| 387 | Q | 36.3 | Very low | 33.7 | Very low | 164 Ų | 164 | 148.3 Ų | 148.3 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | trans | -93.8 | 175 | 168.8 | -60.5 | -173.3 | 19.2 | 0 | 0 | 110 | ||||
| 388 | P | 32.3 | Very low | 33.2 | Very low | 129 Ų | 129 | 147.2 Ų | 147.2 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | -141.2 | 168.2 | 115.3 | 35.2 | -21.5 | 0 | 0 | 0 | 115.8 | |||||
| 389 | T | 26.1 | Very low | 33.1 | Very low | 126 Ų | 126 | 149 Ų | 149 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -82.7 | 158.8 | -170.4 | -39.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 390 | V | 37.8 | Very low | 32.7 | Very low | 130 Ų | 130 | 148.5 Ų | 148.5 | 79% | 0.788 | 81% | 0.814 | S | S | * | * | trans | -59.8 | 169.2 | 162.5 | -73 | 0 | 0 | 0 | 0 | 113 | ||||
| 391 | P | 38.5 | Very low | 32.2 | Very low | 121 Ų | 121 | 145.9 Ų | 145.9 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | cis | -143.5 | -162.7 | 22.9 | 42.5 | -19.9 | 0 | 0 | 0 | 118 | ||||
| 392 | R | 33.1 | Very low | 33 | Very low | 217 Ų | 217 | 141 Ų | 141 | 82% | 0.819 | 81% | 0.809 | S | S | * | * | trans | -19.3 | 158.2 | 165.3 | -73.4 | -177.5 | 164.4 | -154.1 | 0.3 | 118 | ||||
| 393 | E | 30.5 | Very low | 32.8 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 67% | 0.673 | 81% | 0.805 | S | S | * | * | -173.2 | 147.5 | 56.2 | -173.2 | 165.7 | 129.7 | 0 | 0 | 116.8 | |||||
| 394 | N | 26.6 | Very low | 33.3 | Very low | 143 Ų | 143 | 137.8 Ų | 137.8 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | trans | 48.9 | 154.3 | 154.4 | -63.6 | -23.4 | 0 | 0 | 0 | 123 | ||||
| 395 | G | 28.9 | Very low | 33.2 | Very low | 73 Ų | 73 | 134.6 Ų | 134.6 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | cis | -168.7 | -168.9 | 7.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 396 | K | 35.1 | Very low | 33.3 | Very low | 206 Ų | 206 | 135.5 Ų | 135.5 | 90% | 0.896 | 79% | 0.793 | S | S | * | * | trans | -63.5 | -175.7 | -176.5 | -102.5 | -173.7 | 171.6 | -176.8 | 0 | 115.4 | ||||
| 397 | P | 46.6 | Very low | 33.6 | Very low | 113 Ų | 113 | 132.1 Ų | 132.1 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | cis | -120.7 | -166.5 | 1.2 | 15.3 | 13 | 0 | 0 | 0 | 112.6 | ||||
| 398 | E | 26.6 | Very low | 33.6 | Very low | 189 Ų | 189 | 127.2 Ų | 127.2 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | cis | -160.2 | 139.1 | 32.8 | -173.1 | 175.5 | 117.6 | 0 | 0 | 114.5 | ||||
| 399 | A | 34.8 | Very low | 34.1 | Very low | 98 Ų | 98 | 130.8 Ų | 130.8 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | -167.1 | 136.7 | 154.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 400 | A | 30.4 | Very low | 35 | Very low | 107 Ų | 107 | 133.2 Ų | 133.2 | 88% | 0.884 | 79% | 0.792 | S | S | * | * | trans | -101.1 | 153.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 401 | G | 28.6 | Very low | 35.7 | Very low | 72 Ų | 72 | 132 Ų | 132 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | cis | 140.8 | 159.7 | 17.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 402 | P | 48.5 | Very low | 36.5 | Very low | 134 Ų | 134 | 131.5 Ų | 131.5 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | cis | -124.9 | 176.7 | 15.2 | 42.5 | -28.7 | 0 | 0 | 0 | 116 | ||||
| 403 | E | 33 | Very low | 37.1 | Very low | 164 Ų | 164 | 126.2 Ų | 126.2 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | trans | -85.4 | 178.6 | 169.5 | -78.6 | -73.2 | 154.2 | 0 | 0 | 111 | ||||
| 404 | P | 42.8 | Very low | 38.3 | Very low | 108 Ų | 108 | 121.5 Ų | 121.5 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | cis | -150.6 | 159.5 | 25.7 | 44.9 | -23.8 | 0 | 0 | 0 | 122.2 | ||||
| 405 | S | 26 | Very low | 39.7 | Very low | 103 Ų | 103 | 117.4 Ų | 117.4 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | trans | 57.2 | 115 | 135.3 | 70.1 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 406 | S | 30.3 | Very low | 41.1 | Very low | 115 Ų | 115 | 119.3 Ų | 119.3 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | trans | -173.8 | 119.3 | 133.9 | -171.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 407 | S | 34 | Very low | 42.2 | Very low | 118 Ų | 118 | 113.3 Ų | 113.3 | 83% | 0.825 | 72% | 0.715 | S | S | * | * | 75 | 111.3 | 59 | -173.5 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 408 | G | 36.3 | Very low | 42.5 | Very low | 62 Ų | 62 | 111.4 Ų | 111.4 | 64% | 0.639 | 70% | 0.703 | S | S | * | * | trans | 106 | 105 | 154.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 409 | E | 42.7 | Very low | 43.8 | Very low | 204 Ų | 204 | 108.3 Ų | 108.3 | 95% | 0.953 | 69% | 0.692 | S | S | * | * | trans | 35.4 | 99 | 135.5 | -165.5 | 175.5 | 161.2 | 0 | 0 | 119.5 | ||||
| 410 | E | 44.4 | Very low | 44.7 | Very low | 177 Ų | 177 | 110.4 Ų | 110.4 | 83% | 0.827 | 68% | 0.683 | S | S | * | * | trans | -128.1 | 137.1 | 170.1 | -69.1 | -163.6 | 155.9 | 0 | 0 | 114.9 | ||||
| 411 | T | 52.4 | Low | 45.6 | Very low | 104 Ų | 104 | 110.7 Ų | 110.7 | 64% | 0.638 | 67% | 0.666 | S | S | * | * | trans | -64.2 | 146.2 | -170.8 | -43 | 0 | 0 | 0 | 0 | 114.3 | D413 A414 | T411-D413 PolarHBondContact O-N 3.48Å; T411-A414 PolarHBondContact O-N 2.67Å | ||
| 412 | P | 55.3 | Low | 46.7 | Very low | 111 Ų | 111 | 117 Ų | 117 | 72% | 0.721 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -14.7 | -179 | 22.6 | -35.8 | 0 | 0 | 0 | 116.3 | A414 A415 | P412-A414 VanDerWaalsContact C-N 3.33Å; P412-A415 PolarHBondContact O-N 3.35Å |
| 413 | D | 46.4 | Very low | 46.8 | Very low | 106 Ų | 106 | 121.3 Ų | 121.3 | 57% | 0.567 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -67.6 | -32.4 | 177.8 | -159.2 | 54.7 | 0 | 0 | 0 | 112.5 | T411 A415 L416 T417 | T411-D413 PolarHBondContact O-N 3.48Å; D413-A415 VanDerWaalsContact C-N 3.26Å; D413-A415 PolarHBondContact O-N 2.9Å; D413-L416 PolarHBondContact O-N 3.15Å; D413-L416 VanDerWaalsContact O-N 3.12Å; D413-T417 PolarHBondContact O-N 2.8Å; D413-T417 VanDerWaalsContact O-N 3.16Å; D413-T417 PolarHBondContact O-OG1 2.68Å |
| 414 | A | 55.3 | Low | 47.5 | Very low | 44 Ų | 44 | 120.8 Ų | 120.8 | 36% | 0.364 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -63.7 | -30.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T411 P412 T417 C418 | T411-A414 PolarHBondContact O-N 2.67Å; P412-A414 VanDerWaalsContact C-N 3.33Å; A414-T417 WeakPolarHBondContact CA-OG1 3.48Å; A414-T417 PolarHBondContact O-OG1 3.33Å; A414-T417 VanDerWaalsContact O-OG1 3.09Å; A414-C418 VanDerWaalsContact O-CB 3.29Å; A414-C418 WeakPolarHBondContact O-CB 3.26Å; A414-C418 PolarHBondContact O-N 3.17Å; A414-C418 VanDerWaalsContact O-N 3.09Å |
| 415 | A | 56.6 | Low | 47.5 | Very low | 57 Ų | 57 | 122.6 Ų | 122.6 | 47% | 0.471 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -69.6 | -34.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | P412 D413 L419 | P412-A415 PolarHBondContact O-N 3.35Å; D413-A415 VanDerWaalsContact C-N 3.26Å; D413-A415 PolarHBondContact O-N 2.9Å; A415-L419 WeakPolarHBondContact O-CB 3.29Å; A415-L419 VanDerWaalsContact O-CG 3.29Å; A415-L419 WeakPolarHBondContact O-CG 3.31Å; A415-L419 PolarHBondContact O-N 2.91Å; A415-L419 VanDerWaalsContact O-N 3.07Å |
| 416 | L | 57.1 | Low | 47.9 | Very low | 114 Ų | 114 | 124.5 Ų | 124.5 | 60% | 0.597 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -75.7 | -37.8 | 179.6 | -63.9 | 178.6 | 0 | 0 | 0 | 112.1 | D413 K420 | D413-L416 PolarHBondContact O-N 3.15Å; D413-L416 VanDerWaalsContact O-N 3.12Å; L416-K420 WeakPolarHBondContact O-CB 3.49Å; L416-K420 PolarHBondContact O-N 2.82Å |
| 417 | T | 58.9 | Low | 48.3 | Very low | 80 Ų | 80 | 124.1 Ų | 124.1 | 49% | 0.491 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -68.3 | -43.6 | 174.2 | 51.3 | 0 | 0 | 0 | 0 | 111.8 | D413 A414 L419 K420 E421 | D413-T417 PolarHBondContact O-N 2.8Å; D413-T417 VanDerWaalsContact O-N 3.16Å; D413-T417 PolarHBondContact O-OG1 2.68Å; A414-T417 WeakPolarHBondContact CA-OG1 3.48Å; A414-T417 PolarHBondContact O-OG1 3.33Å; A414-T417 VanDerWaalsContact O-OG1 3.09Å; T417-L419 PolarHBondContact O-N 2.74Å; T417-K420 WeakPolarHBondContact O-CB 3.19Å; T417-K420 PolarHBondContact O-N 3.12Å; T417-K420 VanDerWaalsContact O-N 3.1Å; T417-E421 PolarHBondContact O-N 3.34Å |
| 418 | C | 51.5 | Low | 49 | Very low | 73 Ų | 73 | 125.2 Ų | 125.2 | 49% | 0.493 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -62.4 | -40 | 175.1 | -174.3 | 0 | 0 | 0 | 0 | 112.7 | A414 K420 E421 R422 | A414-C418 VanDerWaalsContact O-CB 3.29Å; A414-C418 WeakPolarHBondContact O-CB 3.26Å; A414-C418 PolarHBondContact O-N 3.17Å; A414-C418 VanDerWaalsContact O-N 3.09Å; C418-K420 VanDerWaalsContact C-N 3.32Å; C418-K420 PolarHBondContact O-N 2.89Å; C418-E421 PolarHBondContact O-N 2.92Å; C418-R422 WeakPolarHBondContact O-CB 3.37Å; C418-R422 PolarHBondContact O-N 3.5Å |
| 419 | L | 53.8 | Low | 48.9 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 64% | 0.644 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -65.4 | -31.3 | 172.5 | -80.5 | 170 | 0 | 0 | 0 | 113.3 | A415 T417 | A415-L419 WeakPolarHBondContact O-CB 3.29Å; A415-L419 VanDerWaalsContact O-CG 3.29Å; A415-L419 WeakPolarHBondContact O-CG 3.31Å; A415-L419 PolarHBondContact O-N 2.91Å; A415-L419 VanDerWaalsContact O-N 3.07Å; T417-L419 PolarHBondContact O-N 2.74Å |
| 420 | K | 55.3 | Low | 48.6 | Very low | 142 Ų | 142 | 128.4 Ų | 128.4 | 62% | 0.617 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -71.7 | -49.2 | 174.1 | -173.7 | -172.8 | 173 | -167.1 | 0 | 111.1 | L416 T417 C418 R422 R423 | L416-K420 WeakPolarHBondContact O-CB 3.49Å; L416-K420 PolarHBondContact O-N 2.82Å; T417-K420 WeakPolarHBondContact O-CB 3.19Å; T417-K420 PolarHBondContact O-N 3.12Å; T417-K420 VanDerWaalsContact O-N 3.1Å; C418-K420 VanDerWaalsContact C-N 3.32Å; C418-K420 PolarHBondContact O-N 2.89Å; K420-R422 VanDerWaalsContact C-N 3.32Å; K420-R422 PolarHBondContact O-N 3.31Å; K420-R423 WeakPolarHBondContact O-CB 3.45Å; K420-R423 PolarHBondContact O-N 3.37Å |
| 421 | E | 48.6 | Very low | 48.7 | Very low | 113 Ų | 113 | 127.3 Ų | 127.3 | 53% | 0.528 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -60 | -41.7 | 179.7 | -169 | -171.6 | 164.6 | 0 | 0 | 111.8 | T417 C418 R423 E424 Q425 | T417-E421 PolarHBondContact O-N 3.34Å; C418-E421 PolarHBondContact O-N 2.92Å; E421-R423 PolarHBondContact O-N 3.36Å; E421-E424 PolarHBondContact O-N 2.98Å; E421-Q425 PolarHBondContact OE1-NE2 2.99Å; E421-Q425 VanDerWaalsContact OE1-NE2 3.13Å |
| 422 | R | 51.7 | Low | 48.4 | Very low | 205 Ų | 205 | 127.5 Ų | 127.5 | 77% | 0.774 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -13.9 | 173.9 | -88.4 | -72.7 | -178.3 | 171.4 | -1.1 | 114.8 | C418 K420 | C418-R422 WeakPolarHBondContact O-CB 3.37Å; C418-R422 PolarHBondContact O-N 3.5Å; K420-R422 VanDerWaalsContact C-N 3.32Å; K420-R422 PolarHBondContact O-N 3.31Å |
| 423 | R | 50.8 | Low | 48.4 | Very low | 224 Ų | 224 | 131.4 Ų | 131.4 | 85% | 0.845 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -16.3 | 175.7 | -157 | 176.7 | -170.2 | 163.8 | 4.1 | 113.4 | K420 E421 | K420-R423 WeakPolarHBondContact O-CB 3.45Å; K420-R423 PolarHBondContact O-N 3.37Å; E421-R423 PolarHBondContact O-N 3.36Å |
| 424 | E | 47 | Very low | 48.8 | Very low | 154 Ų | 154 | 130.1 Ų | 130.1 | 72% | 0.72 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | -15.7 | -171.2 | -138.4 | 161.6 | 138.6 | 0 | 0 | 113 | E421 | E421-E424 PolarHBondContact O-N 2.98Š|
| 425 | Q | 43.3 | Very low | 49.3 | Very low | 145 Ų | 145 | 131.6 Ų | 131.6 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -98.2 | 38.5 | -179.8 | -59.5 | -162.2 | 34.6 | 0 | 0 | 114.7 | E421 | E421-Q425 PolarHBondContact OE1-NE2 2.99Å; E421-Q425 VanDerWaalsContact OE1-NE2 3.13Å |
| 426 | L | 33.9 | Very low | 50 | Low | 144 Ų | 144 | 137.5 Ų | 137.5 | 75% | 0.754 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -133.4 | 128.4 | 173.2 | -93.7 | 170.3 | 0 | 0 | 0 | 111.8 | ||
| 427 | P | 39.6 | Very low | 50.9 | Low | 106 Ų | 106 | 139.5 Ų | 139.5 | 69% | 0.688 | 69% | 0.694 | S | S | * | * | trans | -63 | 152.8 | 175.2 | -22.5 | 33.7 | 0 | 0 | 0 | 112.9 | Q429 | P427-Q429 PolarHBondContact O-N 3.1Š| ||
| 428 | P | 48.4 | Very low | 51.9 | Low | 142 Ų | 142 | 138.9 Ų | 138.9 | 92% | 0.922 | 69% | 0.688 | S | S | * | * | trans | -72.7 | 88.5 | 177.5 | -13.7 | 29.7 | 0 | 0 | 0 | 111.8 | ||||
| 429 | Q | 34.5 | Very low | 53.3 | Low | 165 Ų | 165 | 141.2 Ų | 141.2 | 77% | 0.771 | 69% | 0.69 | S | S | * | * | trans | -99.2 | 100.2 | 176 | -167.7 | 172.6 | 18.5 | 0 | 0 | 112.6 | P427 | P427-Q429 PolarHBondContact O-N 3.1Š| ||
| 430 | E | 36.4 | Very low | 54.8 | Low | 167 Ų | 167 | 140.5 Ų | 140.5 | 78% | 0.78 | 69% | 0.687 | S | S | * | * | trans | 43.7 | 142.7 | 147.1 | -60.1 | -172.7 | 100.1 | 0 | 0 | 121.9 | S432 | E430-S432 PolarHBondContact O-N 3.22Š| ||
| 431 | D | 45.3 | Very low | 56.5 | Low | 154 Ų | 154 | 140.5 Ų | 140.5 | 82% | 0.824 | 69% | 0.693 | S | S | * | * | trans | -57.7 | 91 | 173.1 | -69.9 | -80.3 | 0 | 0 | 0 | 113.5 | K433 | D431-K433 PolarHBondContact O-N 2.89Š| ||
| 432 | S | 47.2 | Very low | 58.6 | Low | 109 Ų | 109 | 139.6 Ų | 139.6 | 76% | 0.762 | 69% | 0.69 | S | S | * | * | trans | -62 | 102 | 166.5 | 59.4 | 0 | 0 | 0 | 0 | 109.7 | E430 V434 | E430-S432 PolarHBondContact O-N 3.22Å; S432-V434 VanDerWaalsContact C-N 3.31Å; S432-V434 PolarHBondContact O-N 3.39Å | ||
| 433 | K | 53.9 | Low | 60.3 | Low | 193 Ų | 193 | 134.9 Ų | 134.9 | 84% | 0.839 | 68% | 0.676 | S | S | * | * | trans | -65.1 | 82.2 | -170.5 | -69.3 | 161.8 | -172.6 | 159.1 | 0 | 111.9 | D431 T435 | D431-K433 PolarHBondContact O-N 2.89Å; K433-T435 PolarHBondContact O-N 2.82Å | ||
| 434 | V | 55.7 | Low | 62.3 | Low | 79 Ų | 79 | 127.7 Ų | 127.7 | 48% | 0.479 | 66% | 0.658 | S | S | . | * | trans | -30.2 | 107.2 | -172.1 | -172.1 | 0 | 0 | 0 | 0 | 111.8 | S432 D438 K439 | S432-V434 VanDerWaalsContact C-N 3.31Å; S432-V434 PolarHBondContact O-N 3.39Å; V434-D438 HydrophobicContact CG1-CB 3.94Å; V434-K439 HydrophobicContact CG1-CD 4.38Å; V434-K439 HydrophobicContact CG1-CG 3.96Å; V434-K439 VanDerWaalsContact O-CE 3.28Å; V434-K439 WeakPolarHBondContact O-CE 3.36Å; V434-K439 PolarHBondContact O-NZ 3.02Å | ||
| 435 | T | 66.1 | Low | 64.6 | Low | 75 Ų | 75 | 124.8 Ų | 124.8 | 46% | 0.46 | 65% | 0.647 | S | S | . | * | trans | -68 | 159 | -163.7 | -33.3 | 0 | 0 | 0 | 0 | 110.3 | K433 Q437 D438 K439 | K433-T435 PolarHBondContact O-N 2.82Å; T435-Q437 PolarHBondContact O-N 2.85Å; T435-D438 WeakPolarHBondContact CA-OD2 3.47Å; T435-D438 WeakPolarHBondContact CB-OD2 3.49Å; T435-D438 PolarHBondContact N-OD2 3.18Å; T435-D438 PolarHBondContact O-N 3.47Å; T435-D438 PolarHBondContact OG1-OD2 2.82Å; T435-K439 PolarHBondContact O-N 3.12Å; T435-K439 VanDerWaalsContact O-N 3.08Å | ||
| 436 | K | 71.9 | Confident | 67 | Low | 181 Ų | 181 | 125.1 Ų | 125.1 | 79% | 0.787 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -26.3 | 174 | -68.6 | 177.9 | -175.2 | 168.4 | 0 | 112.1 | N440 | K436-N440 PolarHBondContact O-N 3.41Å; K436-N440 PolarHBondContact O-ND2 3.29Å |
| 437 | Q | 75.2 | Confident | 69.8 | Low | 155 Ų | 155 | 120 Ų | 120 | 72% | 0.724 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -48.9 | 175.1 | -72.1 | 178.8 | -19.3 | 0 | 0 | 111.5 | T435 K439 N440 L441 | T435-Q437 PolarHBondContact O-N 2.85Å; Q437-K439 PolarHBondContact O-N 3.28Å; Q437-N440 CarbonylContact O-C 3.46Å; Q437-N440 WeakPolarHBondContact O-CA 3.38Å; Q437-N440 WeakPolarHBondContact O-CB 3.24Å; Q437-N440 PolarHBondContact O-N 3.23Å; Q437-L441 PolarHBondContact O-N 2.78Å |
| 438 | D | 79.8 | Confident | 72.5 | Confident | 68 Ų | 68 | 122.4 Ų | 122.4 | 36% | 0.364 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -55.2 | -40.9 | 176.4 | -38.3 | -21.5 | 0 | 0 | 0 | 111.7 | V434 T435 N440 L441 I442 | V434-D438 HydrophobicContact CG1-CB 3.94Å; T435-D438 WeakPolarHBondContact CA-OD2 3.47Å; T435-D438 WeakPolarHBondContact CB-OD2 3.49Å; T435-D438 PolarHBondContact N-OD2 3.18Å; T435-D438 PolarHBondContact O-N 3.47Å; T435-D438 PolarHBondContact OG1-OD2 2.82Å; D438-N440 PolarHBondContact O-N 3.25Å; D438-L441 PolarHBondContact O-N 2.94Å; D438-L441 VanDerWaalsContact O-N 3.15Å; D438-I442 WeakPolarHBondContact O-CG2 3.35Å; D438-I442 PolarHBondContact O-N 2.93Å |
| 439 | K | 81.8 | Confident | 74.7 | Confident | 121 Ų | 121 | 121.5 Ų | 121.5 | 53% | 0.526 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.6 | -23 | 174.4 | -78.3 | 163.7 | 178.5 | 153.6 | 0 | 114.2 | V434 T435 Q437 K443 | V434-K439 HydrophobicContact CG1-CD 4.38Å; V434-K439 HydrophobicContact CG1-CG 3.96Å; V434-K439 VanDerWaalsContact O-CE 3.28Å; V434-K439 WeakPolarHBondContact O-CE 3.36Å; V434-K439 PolarHBondContact O-NZ 3.02Å; T435-K439 PolarHBondContact O-N 3.12Å; T435-K439 VanDerWaalsContact O-N 3.08Å; Q437-K439 PolarHBondContact O-N 3.28Å; K439-K443 WeakPolarHBondContact O-CB 3.2Å |
| 440 | N | 85 | Confident | 77.7 | Confident | 109 Ų | 109 | 120 Ų | 120 | 58% | 0.583 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -88.3 | -33.6 | 170.2 | -76.3 | -67.9 | 0 | 0 | 0 | 111.9 | K436 Q437 D438 K443 P444 | K436-N440 PolarHBondContact O-N 3.41Å; K436-N440 PolarHBondContact O-ND2 3.29Å; Q437-N440 CarbonylContact O-C 3.46Å; Q437-N440 WeakPolarHBondContact O-CA 3.38Å; Q437-N440 WeakPolarHBondContact O-CB 3.24Å; Q437-N440 PolarHBondContact O-N 3.23Å; D438-N440 PolarHBondContact O-N 3.25Å; N440-K443 PolarHBondContact O-N 3.5Å; N440-P444 WeakPolarHBondContact O-CD 3.48Å |
| 441 | L | 90.2 | Very high | 80.4 | Confident | 141 Ų | 141 | 116.4 Ų | 116.4 | 74% | 0.738 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.3 | -42.9 | 177.4 | -175.1 | 62.2 | 0 | 0 | 0 | 112.3 | Q437 D438 K443 | Q437-L441 PolarHBondContact O-N 2.78Å; D438-L441 PolarHBondContact O-N 2.94Å; D438-L441 VanDerWaalsContact O-N 3.15Å; L441-K443 VanDerWaalsContact C-N 3.29Å; L441-K443 PolarHBondContact O-N 2.75Å |
| 442 | I | 92.1 | Very high | 82.7 | Confident | 94 Ų | 94 | 113.8 Ų | 113.8 | 48% | 0.482 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -74 | -19.4 | 177.7 | -158.8 | 63.7 | 0 | 0 | 0 | 112.8 | D438 L445 Y446 | D438-I442 WeakPolarHBondContact O-CG2 3.35Å; D438-I442 PolarHBondContact O-N 2.93Å; I442-L445 HydrophobicContact CD1-CD1 4.13Å; I442-L445 WeakPolarHBondContact O-CB 3.32Å; I442-L445 PolarHBondContact O-N 3.15Å; I442-Y446 PolarHBondContact O-N 2.93Å |
| 443 | K | 88 | Confident | 84.8 | Confident | 107 Ų | 107 | 114 Ų | 114 | 47% | 0.465 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.2 | -48.7 | -171.4 | 170.1 | 167.4 | 169.4 | 49.2 | 0 | 113.5 | K439 N440 L441 L445 Y446 D447 | K439-K443 WeakPolarHBondContact O-CB 3.2Å; N440-K443 PolarHBondContact O-N 3.5Å; L441-K443 VanDerWaalsContact C-N 3.29Å; L441-K443 PolarHBondContact O-N 2.75Å; K443-L445 VanDerWaalsContact C-N 3.27Å; K443-L445 PolarHBondContact O-N 3.04Å; K443-Y446 PolarHBondContact O-N 3.18Å; K443-Y446 VanDerWaalsContact O-N 3.12Å; K443-D447 VanDerWaalsContact CG-OD2 3.26Å; K443-D447 WeakPolarHBondContact CG-OD2 3.47Å; K443-D447 IonicContact NZ-OD1 2.68Å; K443-D447 IonicContact NZ-OD2 3.99Å; K443-D447 PolarHBondContact NZ-OD2 3.12Å; K443-D447 WeakPolarHBondContact O-CB 3.4Å; K443-D447 PolarHBondContact O-N 3.3Å |
| 444 | P | 92.5 | Very high | 86.5 | Confident | 72 Ų | 72 | 110.4 Ų | 110.4 | 47% | 0.468 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.5 | -35.8 | 173.3 | -27.7 | 35 | 0 | 0 | 0 | 113.9 | N440 R448 | N440-P444 WeakPolarHBondContact O-CD 3.48Å; P444-R448 WeakPolarHBondContact O-CB 3.44Å; P444-R448 WeakPolarHBondContact O-CG 3.35Å; P444-R448 PolarHBondContact O-N 2.97Å |
| 445 | L | 94.9 | Very high | 88.1 | Confident | 93 Ų | 93 | 111.4 Ų | 111.4 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65 | -45.8 | 174.3 | -73.9 | 159.3 | 0 | 0 | 0 | 111.1 | I442 K443 R448 Y449 | I442-L445 HydrophobicContact CD1-CD1 4.13Å; I442-L445 WeakPolarHBondContact O-CB 3.32Å; I442-L445 PolarHBondContact O-N 3.15Å; K443-L445 VanDerWaalsContact C-N 3.27Å; K443-L445 PolarHBondContact O-N 3.04Å; L445-R448 VanDerWaalsContact CD2-NH2 3.32Å; L445-R448 PolarHBondContact O-N 2.78Å; L445-Y449 WeakPolarHBondContact O-CB 3.35Å; L445-Y449 PolarHBondContact O-N 2.82Å |
| 446 | Y | 94.8 | Very high | 88.9 | Confident | 152 Ų | 152 | 114.6 Ų | 114.6 | 60% | 0.596 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -69 | -35.4 | 179.4 | -146.3 | -86.3 | 0 | 0 | 0 | 113 | I442 K443 R450 | I442-Y446 PolarHBondContact O-N 2.93Å; K443-Y446 PolarHBondContact O-N 3.18Å; K443-Y446 VanDerWaalsContact O-N 3.12Å; Y446-R450 WeakPolarHBondContact O-CB 3.27Å; Y446-R450 PolarHBondContact O-N 3.01Å |
| 447 | D | 92.9 | Very high | 89.5 | Confident | 37 Ų | 37 | 109.8 Ų | 109.8 | 20% | 0.198 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -67.4 | -42.8 | 172.8 | -79 | -54.9 | 0 | 0 | 0 | 111.4 | K443 R450 I451 | K443-D447 VanDerWaalsContact CG-OD2 3.26Å; K443-D447 WeakPolarHBondContact CG-OD2 3.47Å; K443-D447 IonicContact NZ-OD1 2.68Å; K443-D447 IonicContact NZ-OD2 3.99Å; K443-D447 PolarHBondContact NZ-OD2 3.12Å; K443-D447 WeakPolarHBondContact O-CB 3.4Å; K443-D447 PolarHBondContact O-N 3.3Å; D447-R450 PolarHBondContact O-N 2.96Å; D447-R450 IonicContact OD1-CZ 3.14Å; D447-R450 IonicContact OD1-NH1 3.91Å; D447-R450 PolarHBondContact OD1-NH1 3.42Å; D447-R450 IonicContact OD1-NH2 2.71Å; D447-R450 PolarHBondContact OD1-NH2 2.89Å; D447-I451 WeakPolarHBondContact O-CG1 3.38Å; D447-I451 PolarHBondContact O-N 2.99Å |
| 448 | R | 96.1 | Very high | 89.1 | Confident | 156 Ų | 156 | 105.4 Ų | 105.4 | 59% | 0.589 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.8 | -47.6 | 172 | -76.7 | -169.8 | -64.2 | -143.9 | 5.5 | 112.2 | P444 L445 R450 I451 I452 | P444-R448 WeakPolarHBondContact O-CB 3.44Å; P444-R448 WeakPolarHBondContact O-CG 3.35Å; P444-R448 PolarHBondContact O-N 2.97Å; L445-R448 VanDerWaalsContact CD2-NH2 3.32Å; L445-R448 PolarHBondContact O-N 2.78Å; R448-R450 VanDerWaalsContact C-N 3.32Å; R448-R450 PolarHBondContact O-N 3.29Å; R448-I451 PolarHBondContact O-N 3.23Å; R448-I451 VanDerWaalsContact O-N 3.15Å; R448-I452 WeakPolarHBondContact O-CG1 3.47Å; R448-I452 PolarHBondContact O-N 3.41Å |
| 449 | Y | 95.1 | Very high | 88.1 | Confident | 123 Ų | 123 | 108.2 Ų | 108.2 | 48% | 0.482 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58.6 | -42.2 | 176.1 | 167.5 | -118.5 | 0 | 0 | 0 | 112 | L445 I451 I452 K453 | L445-Y449 WeakPolarHBondContact O-CB 3.35Å; L445-Y449 PolarHBondContact O-N 2.82Å; Y449-I451 PolarHBondContact O-N 2.84Å; Y449-I452 PolarHBondContact O-N 2.96Å; Y449-K453 HydrophobicContact CE2-CB 4.43Å; Y449-K453 VanDerWaalsContact O-CB 3.32Å; Y449-K453 WeakPolarHBondContact O-CB 3.39Å; Y449-K453 PolarHBondContact O-N 3.24Å |
| 450 | R | 96.5 | Very high | 86.8 | Confident | 133 Ų | 133 | 106.9 Ų | 106.9 | 50% | 0.502 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 175.3 | -171 | -174.6 | 64.5 | -105.8 | -8.1 | 112.1 | Y446 D447 R448 Q454 | Y446-R450 WeakPolarHBondContact O-CB 3.27Å; Y446-R450 PolarHBondContact O-N 3.01Å; D447-R450 PolarHBondContact O-N 2.96Å; D447-R450 IonicContact OD1-CZ 3.14Å; D447-R450 IonicContact OD1-NH1 3.91Å; D447-R450 PolarHBondContact OD1-NH1 3.42Å; D447-R450 IonicContact OD1-NH2 2.71Å; D447-R450 PolarHBondContact OD1-NH2 2.89Å; R448-R450 VanDerWaalsContact C-N 3.32Å; R448-R450 PolarHBondContact O-N 3.29Å; R450-Q454 VanDerWaalsContact O-CB 3.29Å; R450-Q454 WeakPolarHBondContact O-CB 3.12Å; R450-Q454 PolarHBondContact O-N 3.37Å |
| 451 | I | 92.7 | Very high | 85.2 | Confident | 93 Ų | 93 | 109.4 Ų | 109.4 | 48% | 0.477 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.7 | -48.1 | 177.3 | -68.5 | 162.3 | 0 | 0 | 0 | 110.6 | D447 R448 Y449 K453 Q454 I455 | D447-I451 WeakPolarHBondContact O-CG1 3.38Å; D447-I451 PolarHBondContact O-N 2.99Å; R448-I451 PolarHBondContact O-N 3.23Å; R448-I451 VanDerWaalsContact O-N 3.15Å; Y449-I451 PolarHBondContact O-N 2.84Å; I451-K453 PolarHBondContact O-N 2.92Å; I451-Q454 WeakPolarHBondContact O-CB 3.41Å; I451-Q454 PolarHBondContact O-N 3.47Å; I451-I455 HydrophobicContact CG2-CD1 3.83Å; I451-I455 WeakPolarHBondContact O-CG1 3.32Å; I451-I455 PolarHBondContact O-N 3.38Å |
| 452 | I | 93.4 | Very high | 83.4 | Confident | 99 Ų | 99 | 108.5 Ų | 108.5 | 51% | 0.508 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.5 | -48.1 | 176.6 | -66.5 | 164.8 | 0 | 0 | 0 | 110.2 | R448 Y449 Q454 I455 L456 | R448-I452 WeakPolarHBondContact O-CG1 3.47Å; R448-I452 PolarHBondContact O-N 3.41Å; Y449-I452 PolarHBondContact O-N 2.96Å; I452-Q454 VanDerWaalsContact C-N 3.3Å; I452-Q454 PolarHBondContact O-N 2.77Å; I452-I455 PolarHBondContact O-N 3.21Å; I452-L456 HydrophobicContact CG2-CD1 3.78Å; I452-L456 HydrophobicContact CG2-CG 4.37Å; I452-L456 WeakPolarHBondContact O-CB 3.02Å; I452-L456 WeakPolarHBondContact O-CG 3.45Å; I452-L456 PolarHBondContact O-N 3.45Å |
| 453 | K | 92.1 | Very high | 81 | Confident | 114 Ų | 114 | 109.2 Ų | 109.2 | 50% | 0.496 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.4 | -37.2 | 176.6 | -176.4 | 167.3 | -177.6 | 168.8 | 0 | 112.3 | Y449 I451 S457 | Y449-K453 HydrophobicContact CE2-CB 4.43Å; Y449-K453 VanDerWaalsContact O-CB 3.32Å; Y449-K453 WeakPolarHBondContact O-CB 3.39Å; Y449-K453 PolarHBondContact O-N 3.24Å; I451-K453 PolarHBondContact O-N 2.92Å; K453-S457 VanDerWaalsContact O-CB 3.27Å; K453-S457 WeakPolarHBondContact O-CB 3.32Å; K453-S457 PolarHBondContact O-N 3.47Å; K453-S457 PolarHBondContact O-OG 3.26Å |
| 454 | Q | 90.2 | Very high | 78.6 | Confident | 116 Ų | 116 | 109.8 Ų | 109.8 | 54% | 0.542 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.4 | -48.5 | 175.6 | -176.8 | 64.4 | 57.5 | 0 | 0 | 111 | R450 I451 I452 L456 S457 T458 | R450-Q454 VanDerWaalsContact O-CB 3.29Å; R450-Q454 WeakPolarHBondContact O-CB 3.12Å; R450-Q454 PolarHBondContact O-N 3.37Å; I451-Q454 WeakPolarHBondContact O-CB 3.41Å; I451-Q454 PolarHBondContact O-N 3.47Å; I452-Q454 VanDerWaalsContact C-N 3.3Å; I452-Q454 PolarHBondContact O-N 2.77Å; Q454-L456 VanDerWaalsContact C-N 3.34Å; Q454-L456 PolarHBondContact O-N 3.27Å; Q454-S457 PolarHBondContact O-N 3.01Å; Q454-S457 VanDerWaalsContact O-N 3.16Å; Q454-T458 PolarHBondContact O-N 3.42Å; Q454-T458 PolarHBondContact O-OG1 3.01Å; Q454-T458 VanDerWaalsContact O-OG1 3.1Å |
| 455 | I | 87.9 | Confident | 76.4 | Confident | 101 Ų | 101 | 113.3 Ų | 113.3 | 52% | 0.518 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -60.8 | -43.1 | 178.6 | -66.6 | 164.4 | 0 | 0 | 0 | 110.8 | I451 I452 S457 T458 | I451-I455 HydrophobicContact CG2-CD1 3.83Å; I451-I455 WeakPolarHBondContact O-CG1 3.32Å; I451-I455 PolarHBondContact O-N 3.38Å; I452-I455 PolarHBondContact O-N 3.21Å; I455-S457 VanDerWaalsContact C-N 3.33Å; I455-S457 PolarHBondContact O-N 3.05Å; I455-T458 PolarHBondContact O-N 3.14Å; I455-T458 PolarHBondContact O-OG1 3.05Å |
| 456 | L | 84.7 | Confident | 73.9 | Confident | 142 Ų | 142 | 117.7 Ų | 117.7 | 74% | 0.743 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -73.8 | -18.5 | 177.3 | -64.5 | 173.9 | 0 | 0 | 0 | 114.1 | I452 Q454 | I452-L456 HydrophobicContact CG2-CD1 3.78Å; I452-L456 HydrophobicContact CG2-CG 4.37Å; I452-L456 WeakPolarHBondContact O-CB 3.02Å; I452-L456 WeakPolarHBondContact O-CG 3.45Å; I452-L456 PolarHBondContact O-N 3.45Å; Q454-L456 VanDerWaalsContact C-N 3.34Å; Q454-L456 PolarHBondContact O-N 3.27Å |
| 457 | S | 84.6 | Confident | 71.7 | Confident | 80 Ų | 80 | 119.1 Ų | 119.1 | 56% | 0.559 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -93.4 | -13.4 | 175.7 | -52.5 | 0 | 0 | 0 | 0 | 113.1 | K453 Q454 I455 | K453-S457 VanDerWaalsContact O-CB 3.27Å; K453-S457 WeakPolarHBondContact O-CB 3.32Å; K453-S457 PolarHBondContact O-N 3.47Å; K453-S457 PolarHBondContact O-OG 3.26Å; Q454-S457 PolarHBondContact O-N 3.01Å; Q454-S457 VanDerWaalsContact O-N 3.16Å; I455-S457 VanDerWaalsContact C-N 3.33Å; I455-S457 PolarHBondContact O-N 3.05Å |
| 458 | T | 66.8 | Low | 69.6 | Low | 63 Ų | 63 | 126.6 Ų | 126.6 | 39% | 0.387 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -93.1 | 123.1 | 169.6 | 46.6 | 0 | 0 | 0 | 0 | 109 | Q454 I455 S460 | Q454-T458 PolarHBondContact O-N 3.42Å; Q454-T458 PolarHBondContact O-OG1 3.01Å; Q454-T458 VanDerWaalsContact O-OG1 3.1Å; I455-T458 PolarHBondContact O-N 3.14Å; I455-T458 PolarHBondContact O-OG1 3.05Å; T458-S460 PolarHBondContact O-N 3.35Å; T458-S460 VanDerWaalsContact O-N 3.12Å |
| 459 | P | 58.6 | Low | 67 | Low | 127 Ų | 127 | 126.7 Ų | 126.7 | 83% | 0.825 | 66% | 0.658 | S | S | * | * | trans | -57.8 | 122.9 | 168.1 | 25.5 | -32.6 | 0 | 0 | 0 | 108.1 | L461 | P459-L461 PolarHBondContact O-N 3.31Å; P459-L461 VanDerWaalsContact O-N 3.1Å | ||
| 460 | S | 53.9 | Low | 65.1 | Low | 93 Ų | 93 | 125.9 Ų | 125.9 | 65% | 0.65 | 67% | 0.67 | S | S | * | * | trans | -74.8 | 104.9 | -177.2 | -160.5 | 0 | 0 | 0 | 0 | 108.5 | T458 I462 | T458-S460 PolarHBondContact O-N 3.35Å; T458-S460 VanDerWaalsContact O-N 3.12Å; S460-I462 PolarHBondContact O-N 2.98Å | ||
| 461 | L | 51.5 | Low | 62.4 | Low | 162 Ų | 162 | 127.1 Ų | 127.1 | 85% | 0.848 | 69% | 0.687 | S | S | * | * | trans | -78.6 | 66.8 | 176.7 | -152 | 161.6 | 0 | 0 | 0 | 108.8 | P459 | P459-L461 PolarHBondContact O-N 3.31Å; P459-L461 VanDerWaalsContact O-N 3.1Å | ||
| 462 | I | 53.1 | Low | 60.1 | Low | 122 Ų | 122 | 131.2 Ų | 131.2 | 63% | 0.626 | 70% | 0.704 | S | S | * | * | trans | -69.8 | 126.2 | 165.7 | -57.4 | 177.1 | 0 | 0 | 0 | 105.9 | S460 T464 | S460-I462 PolarHBondContact O-N 2.98Å; I462-T464 PolarHBondContact O-N 3.4Å | ||
| 463 | P | 40.7 | Very low | 57.3 | Low | 109 Ų | 109 | 133.6 Ų | 133.6 | 71% | 0.708 | 72% | 0.717 | S | S | * | * | trans | -68.6 | 99.1 | 166.8 | -10.7 | 26.7 | 0 | 0 | 0 | 107.4 | I465 | P463-I465 PolarHBondContact O-N 3.44Š| ||
| 464 | T | 37.5 | Very low | 54.8 | Low | 119 Ų | 119 | 139.1 Ų | 139.1 | 73% | 0.73 | 74% | 0.735 | S | S | * | * | trans | -59.6 | 126.2 | 157.5 | -54.3 | 0 | 0 | 0 | 0 | 106.1 | I462 E466 | I462-T464 PolarHBondContact O-N 3.4Å; T464-E466 PolarHBondContact O-N 3.3Å | ||
| 465 | I | 45.9 | Very low | 52.6 | Low | 145 Ų | 145 | 139.2 Ų | 139.2 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | trans | -69.1 | 113.9 | 173 | -54.2 | 168 | 0 | 0 | 0 | 105.2 | P463 E467 | P463-I465 PolarHBondContact O-N 3.44Å; I465-E467 VanDerWaalsContact C-N 3.35Å; I465-E467 PolarHBondContact O-N 3.37Å | ||
| 466 | E | 43.4 | Very low | 50.3 | Low | 186 Ų | 186 | 144.1 Ų | 144.1 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | trans | -72.6 | 93.3 | 175.3 | -67.8 | -179.5 | 148.3 | 0 | 0 | 107.8 | T464 E468 | T464-E466 PolarHBondContact O-N 3.3Å; E466-E468 PolarHBondContact O-N 2.93Å | ||
| 467 | E | 49.1 | Very low | 47.5 | Very low | 182 Ų | 182 | 141 Ų | 141 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | trans | -72.6 | 106.8 | 160.7 | -69.7 | -165 | 152.5 | 0 | 0 | 107.5 | I465 D469 | I465-E467 VanDerWaalsContact C-N 3.35Å; I465-E467 PolarHBondContact O-N 3.37Å; E467-D469 PolarHBondContact O-N 3.41Å | ||
| 468 | E | 47.6 | Very low | 45.1 | Very low | 193 Ų | 193 | 141.8 Ų | 141.8 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | trans | -71 | 103.7 | 173.8 | -178.2 | -177.9 | 173 | 0 | 0 | 109 | E466 | E466-E468 PolarHBondContact O-N 2.93Š| ||
| 469 | D | 42.2 | Very low | 43.5 | Very low | 158 Ų | 158 | 147.7 Ų | 147.7 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | -132.3 | 147.4 | 160.8 | -158.4 | 2.4 | 0 | 0 | 0 | 110.1 | E467 | E467-D469 PolarHBondContact O-N 3.41Š| ||
| 470 | S | 54.3 | Low | 42.2 | Very low | 106 Ų | 106 | 150.4 Ų | 150.4 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | trans | -135.6 | 108.1 | -161.7 | 160.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 471 | D | 39.3 | Very low | 41.9 | Very low | 160 Ų | 160 | 151.6 Ų | 151.6 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | trans | -142.3 | 154.2 | 164.6 | -145.1 | -12.5 | 0 | 0 | 0 | 112.5 | ||||
| 472 | E | 45.7 | Very low | 40.8 | Very low | 179 Ų | 179 | 148.4 Ų | 148.4 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -79.1 | 139.7 | 168.6 | -72.4 | -155.3 | 92.8 | 0 | 0 | 110 | ||||
| 473 | D | 35 | Very low | 39.8 | Very low | 148 Ų | 148 | 150.7 Ų | 150.7 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | -164.3 | 159.7 | 113.9 | -135.2 | -34.8 | 0 | 0 | 0 | 113.6 | |||||
| 474 | R | 38.2 | Very low | 39.3 | Very low | 231 Ų | 231 | 149.4 Ų | 149.4 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -131.2 | 122.8 | 162.1 | -98.2 | -162.5 | -179.6 | 99.2 | -4 | 109.8 | ||||
| 475 | P | 45.5 | Very low | 38.9 | Very low | 118 Ų | 118 | 151 Ų | 151 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | trans | -99.9 | 148.8 | 149.7 | -13.4 | 31.6 | 0 | 0 | 0 | 112.9 | ||||
| 476 | Q | 37.9 | Very low | 39 | Very low | 203 Ų | 203 | 148.9 Ų | 148.9 | 95% | 0.949 | 81% | 0.807 | S | S | * | * | trans | -83.3 | 158.3 | 172.4 | -57.4 | 154.5 | -69.3 | 0 | 0 | 110.8 | ||||
| 477 | G | 27.1 | Very low | 38.3 | Very low | 76 Ų | 76 | 144.1 Ų | 144.1 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | 175.7 | 89.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 478 | S | 34.3 | Very low | 37.4 | Very low | 98 Ų | 98 | 140.1 Ų | 140.1 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | 141.2 | 104.6 | 129.4 | -171.7 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 479 | Q | 31.7 | Very low | 36.6 | Very low | 186 Ų | 186 | 139.2 Ų | 139.2 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | 71.7 | 110 | 139.3 | -64.7 | 174.9 | 84 | 0 | 0 | 121.6 | ||||
| 480 | Q | 32.7 | Very low | 36.3 | Very low | 184 Ų | 184 | 139.5 Ų | 139.5 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -50.4 | 176 | 146.2 | -100.7 | -178.9 | -21.5 | 0 | 0 | 114 | ||||
| 481 | P | 46.7 | Very low | 35.8 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | cis | -129.3 | 176 | 30.6 | 25 | 1.4 | 0 | 0 | 0 | 115.2 | ||||
| 482 | S | 28.4 | Very low | 35.3 | Very low | 95 Ų | 95 | 138.8 Ų | 138.8 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | cis | -164.7 | 154.9 | 47.1 | 52 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 483 | L | 32.3 | Very low | 34.6 | Very low | 169 Ų | 169 | 133.6 Ų | 133.6 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | trans | 37.8 | 135.7 | 144.4 | -63.9 | 158.8 | 0 | 0 | 0 | 120 | ||||
| 484 | A | 29.5 | Very low | 34.3 | Very low | 83 Ų | 83 | 133 Ų | 133 | 69% | 0.686 | 78% | 0.778 | S | S | * | * | cis | -160.9 | 139.7 | -4.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 485 | D | 30.7 | Very low | 34.2 | Very low | 152 Ų | 152 | 130.2 Ų | 130.2 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | 71.3 | 138.5 | 67 | -149.9 | 62.6 | 0 | 0 | 0 | 114.1 | |||||
| 486 | P | 47.9 | Very low | 33.6 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | cis | -134.9 | 175 | -22.3 | 36.3 | -18.8 | 0 | 0 | 0 | 116.4 | ||||
| 487 | A | 28.8 | Very low | 33.2 | Very low | 87 Ų | 87 | 127.3 Ų | 127.3 | 72% | 0.719 | 76% | 0.762 | S | S | * | * | trans | 66.3 | 164.5 | 152.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 488 | S | 30.5 | Very low | 33.3 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | cis | -145.3 | 125.9 | 7.4 | 58 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 489 | H | 29.9 | Very low | 33.3 | Very low | 174 Ų | 174 | 133.8 Ų | 133.8 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | trans | 47.4 | 138.1 | 132.1 | -43 | -53.1 | 0 | 0 | 0 | 124.1 | ||||
| 490 | L | 36 | Very low | 33.2 | Very low | 164 Ų | 164 | 131 Ų | 131 | 86% | 0.859 | 76% | 0.756 | S | S | * | * | trans | -71.1 | -170.9 | 157.9 | -53 | 173.5 | 0 | 0 | 0 | 110.2 | ||||
| 491 | P | 44.5 | Very low | 33 | Very low | 109 Ų | 109 | 130 Ų | 130 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | cis | -151.8 | -165.3 | 10.7 | 47.3 | -26 | 0 | 0 | 0 | 117.9 | ||||
| 492 | V | 28.3 | Very low | 32.4 | Very low | 141 Ų | 141 | 130.2 Ų | 130.2 | 86% | 0.855 | 75% | 0.751 | S | S | * | * | trans | 66.1 | 143.4 | 151.9 | 166.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 493 | G | 29.8 | Very low | 32.9 | Very low | 70 Ų | 70 | 133 Ų | 133 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | trans | 174.8 | 1.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 494 | D | 29.5 | Very low | 32.9 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | trans | 10.4 | 134.5 | 166.9 | -71.3 | 21.4 | 0 | 0 | 0 | 123.8 | ||||
| 495 | H | 36.1 | Very low | 33.2 | Very low | 172 Ų | 172 | 131.4 Ų | 131.4 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | trans | 66.3 | 120.2 | 149.2 | -84.3 | -94.9 | 0 | 0 | 0 | 119 | ||||
| 496 | L | 33 | Very low | 33.7 | Very low | 142 Ų | 142 | 134.1 Ų | 134.1 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | -172.6 | 145.5 | 65.8 | -119.9 | 168.4 | 0 | 0 | 0 | 115.2 | |||||
| 497 | T | 30.3 | Very low | 32.9 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 72% | 0.718 | 75% | 0.751 | S | S | * | * | trans | 71 | 120.9 | 152.7 | 23.7 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 498 | Y | 27.7 | Very low | 33.2 | Very low | 208 Ų | 208 | 136.9 Ų | 136.9 | 82% | 0.816 | 75% | 0.754 | S | S | * | * | 86 | 83.9 | 125.9 | -149.7 | -89.6 | 0 | 0 | 0 | 121.3 | |||||
| 499 | S | 34.3 | Very low | 33.3 | Very low | 103 Ų | 103 | 140.1 Ų | 140.1 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | -173 | 153.3 | 113.8 | -77.4 | 0 | 0 | 0 | 0 | 112 | |||||
| 500 | N | 31.2 | Very low | 33.8 | Very low | 126 Ų | 126 | 137 Ų | 137 | 67% | 0.674 | 76% | 0.758 | S | S | * | * | trans | -63.8 | 132.6 | -174.1 | -75.6 | 59.7 | 0 | 0 | 0 | 113.2 | ||||
| 501 | E | 28.4 | Very low | 33.4 | Very low | 164 Ų | 164 | 134.9 Ų | 134.9 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | 61.9 | 126.3 | 92.5 | -56.1 | -179.3 | 155.9 | 0 | 0 | 113.4 | |||||
| 502 | T | 33.7 | Very low | 33.2 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | cis | -148.2 | 133.9 | 19 | -61.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 503 | E | 39 | Very low | 33.7 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 72% | 0.715 | 74% | 0.739 | S | S | * | * | trans | -150.1 | 117.1 | 159.6 | -141.9 | -72 | 174.9 | 0 | 0 | 108.3 | V505 | E503-V505 WeakPolarHBondContact OE2-CG2 3.46Å; E503-V505 PolarHBondContact OE2-N 2.79Å | ||
| 504 | P | 31.6 | Very low | 34.1 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 71% | 0.714 | 73% | 0.733 | S | S | * | * | trans | -111 | 90.5 | -178.1 | 36.5 | -25.4 | 0 | 0 | 0 | 113 | R506 | P504-R506 PolarHBondContact O-N 2.68Š| ||
| 505 | V | 36.6 | Very low | 34.4 | Very low | 109 Ų | 109 | 141.7 Ų | 141.7 | 66% | 0.661 | 73% | 0.732 | S | S | * | * | trans | -66.4 | 118.4 | 171.6 | 176.9 | 0 | 0 | 0 | 0 | 112 | E503 | E503-V505 WeakPolarHBondContact OE2-CG2 3.46Å; E503-V505 PolarHBondContact OE2-N 2.79Å | ||
| 506 | R | 41.5 | Very low | 34.5 | Very low | 209 Ų | 209 | 138.4 Ų | 138.4 | 79% | 0.789 | 72% | 0.724 | S | S | * | * | trans | 61.6 | 109 | 166.3 | -69.1 | -172.6 | -66.9 | -161.7 | -2.1 | 118.1 | P504 | P504-R506 PolarHBondContact O-N 2.68Š| ||
| 507 | A | 29.8 | Very low | 34.8 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 83% | 0.826 | 72% | 0.72 | S | S | * | * | -90.2 | 147.1 | 129.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 508 | L | 36.5 | Very low | 35.3 | Very low | 146 Ų | 146 | 137.4 Ų | 137.4 | 76% | 0.764 | 71% | 0.712 | S | S | * | * | trans | -111.5 | 132.7 | 170.6 | -83.2 | 168.6 | 0 | 0 | 0 | 109.1 | ||||
| 509 | L | 32.7 | Very low | 35.8 | Very low | 165 Ų | 165 | 131.9 Ų | 131.9 | 86% | 0.864 | 70% | 0.702 | S | S | * | * | trans | 62.4 | 164.2 | 173 | -66.3 | 161.1 | 0 | 0 | 0 | 115.8 | ||||
| 510 | P | 39.4 | Very low | 36.5 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 71% | 0.714 | 71% | 0.707 | S | S | * | * | cis | -122.1 | 138.8 | -33.1 | 32.2 | -18 | 0 | 0 | 0 | 111.4 | ||||
| 511 | D | 27.7 | Very low | 37.8 | Very low | 118 Ų | 118 | 127.5 Ų | 127.5 | 63% | 0.631 | 68% | 0.684 | S | S | * | * | trans | -125.9 | 103.4 | 150.5 | -174.6 | 3.4 | 0 | 0 | 0 | 107.2 | K513 | D511-K513 HydrophobicContact CB-CG 4.44Å; D511-K513 PolarHBondContact O-N 2.87Å; D511-K513 PolarHBondContact OD1-N 3.07Å; D511-K513 WeakPolarHBondContact OD2-CE 3.44Å; D511-K513 WeakPolarHBondContact OD2-CG 3.38Å; D511-K513 IonicContact OD2-NZ 2.74Å | ||
| 512 | E | 41.1 | Very low | 39.9 | Very low | 139 Ų | 139 | 122.7 Ų | 122.7 | 65% | 0.65 | 67% | 0.669 | S | S | * | * | trans | -71 | 73.2 | 167.4 | -80.3 | -138.7 | 97.6 | 0 | 0 | 109.2 | K514 | E512-K514 HydrophobicContact CB-CG 4.46Å; E512-K514 VanDerWaalsContact CD-CE 3.45Å; E512-K514 PolarHBondContact O-N 3.32Å; E512-K514 VanDerWaalsContact OE1-CE 3.3Å; E512-K514 WeakPolarHBondContact OE1-CE 3.39Å; E512-K514 IonicContact OE1-NZ 2.8Å; E512-K514 WeakPolarHBondContact OE2-CE 3.48Å; E512-K514 IonicContact OE2-NZ 2.67Å; E512-K514 PolarHBondContact OE2-NZ 2.96Å | ||
| 513 | K | 37.7 | Very low | 41.6 | Very low | 174 Ų | 174 | 119.6 Ų | 119.6 | 76% | 0.757 | 65% | 0.647 | S | S | * | * | trans | -65.1 | 71.6 | 153.5 | -59.5 | -171.2 | -171.9 | -178 | 0 | 108 | D511 E515 | D511-K513 HydrophobicContact CB-CG 4.44Å; D511-K513 PolarHBondContact O-N 2.87Å; D511-K513 PolarHBondContact OD1-N 3.07Å; D511-K513 WeakPolarHBondContact OD2-CE 3.44Å; D511-K513 WeakPolarHBondContact OD2-CG 3.38Å; D511-K513 IonicContact OD2-NZ 2.74Å; K513-E515 PolarHBondContact O-N 3.37Å | ||
| 514 | K | 37.7 | Very low | 42.8 | Very low | 133 Ų | 133 | 115.5 Ų | 115.5 | 58% | 0.578 | 64% | 0.635 | S | S | * | * | trans | -56.9 | 90.6 | 153 | -72.5 | 169.3 | 178.3 | 147.4 | 0 | 105.3 | E512 V516 | E512-K514 HydrophobicContact CB-CG 4.46Å; E512-K514 VanDerWaalsContact CD-CE 3.45Å; E512-K514 PolarHBondContact O-N 3.32Å; E512-K514 VanDerWaalsContact OE1-CE 3.3Å; E512-K514 WeakPolarHBondContact OE1-CE 3.39Å; E512-K514 IonicContact OE1-NZ 2.8Å; E512-K514 WeakPolarHBondContact OE2-CE 3.48Å; E512-K514 IonicContact OE2-NZ 2.67Å; E512-K514 PolarHBondContact OE2-NZ 2.96Å; K514-V516 HydrophobicContact CB-CG2 3.75Å; K514-V516 PolarHBondContact O-N 2.94Å | ||
| 515 | E | 36.7 | Very low | 45.2 | Very low | 154 Ų | 154 | 113.8 Ų | 113.8 | 72% | 0.72 | 62% | 0.619 | S | S | * | * | trans | -53.4 | 87.8 | 138.5 | -175.9 | -172.1 | -152.6 | 0 | 0 | 104.8 | K513 K517 | K513-E515 PolarHBondContact O-N 3.37Å; E515-K517 PolarHBondContact O-N 2.87Å | ||
| 516 | V | 37.9 | Very low | 47.6 | Very low | 104 Ų | 104 | 108.6 Ų | 108.6 | 63% | 0.63 | 59% | 0.588 | S | S | * | * | trans | -69.1 | 79.1 | 169.5 | -177.2 | 0 | 0 | 0 | 0 | 104.9 | K514 P518 | K514-V516 HydrophobicContact CB-CG2 3.75Å; K514-V516 PolarHBondContact O-N 2.94Å; V516-P518 VanDerWaalsContact O-N 3.1Å | ||
| 517 | K | 40.4 | Very low | 49.6 | Very low | 151 Ų | 151 | 104.4 Ų | 104.4 | 66% | 0.657 | 58% | 0.577 | S | S | * | * | trans | -43.9 | 119.8 | 148.5 | -80.4 | 178.7 | 177.6 | 167.1 | 0 | 104.7 | E515 P519 | E515-K517 PolarHBondContact O-N 2.87Å; K517-P519 VanDerWaalsContact O-N 3.14Å | ||
| 518 | P | 39 | Very low | 52.2 | Low | 86 Ų | 86 | 106.5 Ų | 106.5 | 56% | 0.558 | 57% | 0.57 | S | S | * | * | trans | -51.8 | 128.7 | -173.3 | 20.4 | -32.4 | 0 | 0 | 0 | 107.4 | V516 A520 | V516-P518 VanDerWaalsContact O-N 3.1Å; P518-A520 WeakPolarHBondContact O-CA 3.3Å; P518-A520 PolarHBondContact O-N 3.08Å | ||
| 519 | P | 39.3 | Very low | 54.7 | Low | 92 Ų | 92 | 100 Ų | 100 | 60% | 0.597 | 54% | 0.537 | S | S | * | . | trans | -51.4 | 115.9 | -166.8 | 19.8 | -33.1 | 0 | 0 | 0 | 108 | K517 L521 | K517-P519 VanDerWaalsContact O-N 3.14Å; P519-L521 WeakPolarHBondContact O-CA 3.36Å; P519-L521 VanDerWaalsContact O-CD2 3.24Å; P519-L521 WeakPolarHBondContact O-CD2 3.45Å; P519-L521 WeakPolarHBondContact O-CG 3.45Å; P519-L521 PolarHBondContact O-N 2.9Å | ||
| 520 | A | 48.9 | Very low | 57.4 | Low | 100 Ų | 100 | 96.5 Ų | 96.5 | 83% | 0.826 | 52% | 0.523 | S | S | * | . | trans | -60 | 97.7 | -153.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | P518 S522 | P518-A520 WeakPolarHBondContact O-CA 3.3Å; P518-A520 PolarHBondContact O-N 3.08Å; A520-S522 PolarHBondContact O-N 3.3Å | ||
| 521 | L | 58.6 | Low | 60 | Low | 38 Ų | 38 | 92 Ų | 92 | 20% | 0.199 | 49% | 0.493 | C | S | . | . | trans | -68.5 | 104.5 | -163.4 | -66.7 | -172.6 | 0 | 0 | 0 | 109.4 | P519 N525 L526 V533 | P519-L521 WeakPolarHBondContact O-CA 3.36Å; P519-L521 VanDerWaalsContact O-CD2 3.24Å; P519-L521 WeakPolarHBondContact O-CD2 3.45Å; P519-L521 WeakPolarHBondContact O-CG 3.45Å; P519-L521 PolarHBondContact O-N 2.9Å; L521-N525 HydrophobicContact CB-CB 4.47Å; L521-N525 HydrophobicContact CD2-CB 4.04Å; L521-L526 HydrophobicContact CB-CD2 4.17Å; L521-V533 HydrophobicContact CD1-CG1 4.11Å | ||
| 522 | S | 71.8 | Confident | 63 | Low | 63 Ų | 63 | 90 Ų | 90 | 44% | 0.441 | 49% | 0.486 | S | S | . | . | trans | -50.4 | 153.2 | 169.9 | 172.3 | 0 | 0 | 0 | 0 | 109.9 | A520 S524 N525 | A520-S522 PolarHBondContact O-N 3.3Å; S522-S524 VanDerWaalsContact CB-OG 3.28Å; S522-S524 WeakPolarHBondContact CB-OG 3.34Å; S522-S524 PolarHBondContact O-N 2.71Å; S522-S524 PolarHBondContact OG-N 3.14Å; S522-S524 PolarHBondContact OG-OG 3.27Å; S522-N525 PolarHBondContact O-N 2.88Å | ||
| 523 | M | 69.8 | Low | 65.5 | Low | 58 Ų | 58 | 85.8 Ų | 85.8 | 29% | 0.286 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -25.6 | 173.8 | -74.1 | -70.1 | -72.9 | 0 | 0 | 113.4 | L526 H584 K588 L591 | M523-L526 HydrophobicContact SD-CD1 3.84Å; M523-H584 WeakPolarHBondContact CG-NE2 3.49Å; M523-K588 HydrophobicContact CE-CB 4.33Å; M523-K588 HydrophobicContact SD-CB 3.54Å; M523-K588 VanDerWaalsContact SD-CB 3.54Å; M523-K588 HydrophobicContact SD-CD 4.03Å; M523-K588 HydrophobicContact SD-CG 3.61Å; M523-L591 HydrophobicContact CE-CB 4.39Å; M523-L591 HydrophobicContact CE-CD2 3.6Å; M523-L591 HydrophobicContact SD-CD2 4.28Å |
| 524 | S | 64.9 | Low | 68.2 | Low | 67 Ų | 67 | 77.5 Ų | 77.5 | 47% | 0.469 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -45.7 | 171.2 | 44.8 | 0 | 0 | 0 | 0 | 112.7 | S522 L526 H527 | S522-S524 VanDerWaalsContact CB-OG 3.28Å; S522-S524 WeakPolarHBondContact CB-OG 3.34Å; S522-S524 PolarHBondContact O-N 2.71Å; S522-S524 PolarHBondContact OG-N 3.14Å; S522-S524 PolarHBondContact OG-OG 3.27Å; S524-L526 VanDerWaalsContact C-N 3.32Å; S524-L526 PolarHBondContact O-N 2.89Å; S524-H527 PolarHBondContact O-ND1 3.27Å |
| 525 | N | 82.2 | Confident | 70.9 | Confident | 73 Ų | 73 | 75.1 Ų | 75.1 | 39% | 0.39 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -84.9 | -8.1 | -165.7 | -56.6 | 28.9 | 0 | 0 | 0 | 112.6 | L521 S522 H527 E528 | L521-N525 HydrophobicContact CB-CB 4.47Å; L521-N525 HydrophobicContact CD2-CB 4.04Å; S522-N525 PolarHBondContact O-N 2.88Å; N525-H527 PolarHBondContact O-N 3.38Å; N525-E528 PolarHBondContact O-N 2.7Å |
| 526 | L | 86.1 | Confident | 73.7 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -64.8 | -24.3 | 179.8 | -62.3 | 178.2 | 0 | 0 | 0 | 113.4 | L521 M523 S524 E528 A529 L534 K588 L591 L592 L595 | L521-L526 HydrophobicContact CB-CD2 4.17Å; M523-L526 HydrophobicContact SD-CD1 3.84Å; S524-L526 VanDerWaalsContact C-N 3.32Å; S524-L526 PolarHBondContact O-N 2.89Å; L526-E528 VanDerWaalsContact C-N 3.33Å; L526-A529 WeakPolarHBondContact O-CB 3.44Å; L526-A529 PolarHBondContact O-N 2.92Å; L526-L534 WeakPolarHBondContact O-CD2 3.46Å; L526-K588 HydrophobicContact CD1-CD 4.4Å; L526-K588 HydrophobicContact CD1-CG 3.97Å; L526-L591 HydrophobicContact CD1-CD2 4.09Å; L526-L592 HydrophobicContact CD1-CD2 4.25Å; L526-L592 HydrophobicContact CD1-CG 4.43Å; L526-L592 HydrophobicContact CD2-CD2 4.21Å; L526-L595 HydrophobicContact CB-CD1 4.02Å; L526-L595 WeakPolarHBondContact O-CD1 3.45Å |
| 527 | H | 83.3 | Confident | 76.4 | Confident | 122 Ų | 122 | 66.9 Ų | 66.9 | 57% | 0.565 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -76.2 | -21.1 | -175.9 | 81.4 | -69.7 | 0 | 0 | 0 | 114 | S524 N525 L595 | S524-H527 PolarHBondContact O-ND1 3.27Å; N525-H527 PolarHBondContact O-N 3.38Å; H527-L595 HydrophobicContact CB-CD2 4.4Å |
| 528 | E | 85.1 | Confident | 79.1 | Confident | 143 Ų | 143 | 60.3 Ų | 60.3 | 67% | 0.668 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -11.6 | 175.2 | -68 | 157.9 | -131.4 | 0 | 0 | 112.5 | N525 L526 | N525-E528 PolarHBondContact O-N 2.7Å; L526-E528 VanDerWaalsContact C-N 3.33Å |
| 529 | A | 87.7 | Confident | 81.9 | Confident | 9 Ų | 9 | 63.7 Ų | 63.7 | 7% | 0.074 | 36% | 0.357 | C | S | . | . | trans | -67.9 | 133.9 | -174 | 0 | 0 | 0 | 0 | 0 | 112.8 | L526 V533 L534 Q599 | L526-A529 WeakPolarHBondContact O-CB 3.44Å; L526-A529 PolarHBondContact O-N 2.92Å; A529-V533 HydrophobicContact CB-CB 4.33Å; A529-V533 HydrophobicContact CB-CG1 4.11Å; A529-L534 HydrophobicContact CB-CD2 3.93Å; A529-L534 HydrophobicContact CB-CG 3.98Å; A529-L534 WeakPolarHBondContact O-CD1 3.44Å; A529-Q599 PolarHBondContact O-NE2 3.44Å; A529-Q599 VanDerWaalsContact O-NE2 3.08Å | ||
| 530 | T | 90.8 | Very high | 84.6 | Confident | 93 Ų | 93 | 63.5 Ų | 63.5 | 57% | 0.571 | 35% | 0.348 | S | S | * | . | trans | -65.8 | 148.1 | 174.8 | -26 | 0 | 0 | 0 | 0 | 111.3 | P532 V533 L534 | T530-P532 VanDerWaalsContact O-N 3.14Å; T530-V533 WeakPolarHBondContact O-CA 3.4Å; T530-V533 WeakPolarHBondContact O-CB 3.3Å; T530-V533 PolarHBondContact O-N 3.36Å; T530-L534 PolarHBondContact O-N 3.3Å | ||
| 531 | M | 92.9 | Very high | 86.9 | Confident | 16 Ų | 16 | 58.9 Ų | 58.9 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -39.1 | -50.5 | 177.9 | -86.6 | -57.7 | -69.4 | 0 | 0 | 117.6 | V533 L534 L535 I596 Q599 D600 | M531-V533 VanDerWaalsContact C-N 3.35Å; M531-V533 PolarHBondContact O-N 3.29Å; M531-L534 WeakPolarHBondContact O-CB 3.11Å; M531-L534 PolarHBondContact O-N 2.95Å; M531-L534 HydrophobicContact SD-CD1 4.33Å; M531-L535 HydrophobicContact CE-CD1 4.17Å; M531-L535 HydrophobicContact CE-CG 4.31Å; M531-L535 WeakPolarHBondContact O-CG 3.41Å; M531-L535 PolarHBondContact O-N 2.99Å; M531-I596 HydrophobicContact CE-CG2 4.12Å; M531-I596 HydrophobicContact SD-CG1 4.35Å; M531-Q599 HydrophobicContact CG-CB 3.87Å; M531-Q599 HydrophobicContact SD-CB 3.52Å; M531-Q599 VanDerWaalsContact SD-CB 3.52Å; M531-Q599 HydrophobicContact SD-CG 4.45Å; M531-D600 WeakPolarHBondContact CE-OD1 3.45Å |
| 532 | P | 91.9 | Very high | 88.8 | Confident | 76 Ų | 76 | 63.4 Ų | 63.4 | 49% | 0.494 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 177.5 | 22.5 | -33 | 0 | 0 | 0 | 112 | T530 L534 L535 D536 | T530-P532 VanDerWaalsContact O-N 3.14Å; P532-L534 VanDerWaalsContact C-N 3.32Å; P532-L534 PolarHBondContact O-N 3.44Å; P532-L535 PolarHBondContact O-N 3.12Å; P532-L535 VanDerWaalsContact O-N 3.12Å; P532-D536 PolarHBondContact O-N 2.9Å |
| 533 | V | 93.1 | Very high | 90 | Very high | 50 Ų | 50 | 63.2 Ų | 63.2 | 30% | 0.303 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62 | -39.4 | 176.5 | -175.5 | 0 | 0 | 0 | 0 | 111.1 | L521 A529 T530 M531 D536 H537 | L521-V533 HydrophobicContact CD1-CG1 4.11Å; A529-V533 HydrophobicContact CB-CB 4.33Å; A529-V533 HydrophobicContact CB-CG1 4.11Å; T530-V533 WeakPolarHBondContact O-CA 3.4Å; T530-V533 WeakPolarHBondContact O-CB 3.3Å; T530-V533 PolarHBondContact O-N 3.36Å; M531-V533 VanDerWaalsContact C-N 3.35Å; M531-V533 PolarHBondContact O-N 3.29Å; V533-D536 PolarHBondContact O-N 3.39Å; V533-H537 WeakPolarHBondContact O-CB 3.33Å; V533-H537 PolarHBondContact O-N 2.85Å; V533-H537 PolarHBondContact O-ND1 3.35Å |
| 534 | L | 94.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 173.4 | -74.2 | 173.3 | 0 | 0 | 0 | 112.6 | L526 A529 T530 M531 P532 L538 L592 L595 I596 | L526-L534 WeakPolarHBondContact O-CD2 3.46Å; A529-L534 HydrophobicContact CB-CD2 3.93Å; A529-L534 HydrophobicContact CB-CG 3.98Å; A529-L534 WeakPolarHBondContact O-CD1 3.44Å; T530-L534 PolarHBondContact O-N 3.3Å; M531-L534 WeakPolarHBondContact O-CB 3.11Å; M531-L534 PolarHBondContact O-N 2.95Å; M531-L534 HydrophobicContact SD-CD1 4.33Å; P532-L534 VanDerWaalsContact C-N 3.32Å; P532-L534 PolarHBondContact O-N 3.44Å; L534-L538 VanDerWaalsContact O-CB 3.3Å; L534-L538 WeakPolarHBondContact O-CB 3.26Å; L534-L538 PolarHBondContact O-N 2.93Å; L534-L592 HydrophobicContact CD2-CD2 3.69Å; L534-L595 HydrophobicContact CD1-CB 4.15Å; L534-L595 HydrophobicContact CD2-CB 4.17Å; L534-L595 HydrophobicContact CD2-CD1 4.09Å; L534-I596 HydrophobicContact CB-CD1 4.14Å; L534-I596 HydrophobicContact CB-CG1 3.8Å; L534-I596 HydrophobicContact CD1-CG1 4.31Å |
| 535 | L | 95 | Very high | 92.9 | Very high | 83 Ų | 83 | 62 Ų | 62 | 44% | 0.435 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.5 | -36.9 | 177.6 | -70.4 | 167.5 | 0 | 0 | 0 | 112 | M531 P532 L538 R539 I596 | M531-L535 HydrophobicContact CE-CD1 4.17Å; M531-L535 HydrophobicContact CE-CG 4.31Å; M531-L535 WeakPolarHBondContact O-CG 3.41Å; M531-L535 PolarHBondContact O-N 2.99Å; P532-L535 PolarHBondContact O-N 3.12Å; P532-L535 VanDerWaalsContact O-N 3.12Å; L535-L538 PolarHBondContact O-N 3.36Å; L535-R539 PolarHBondContact O-N 3.32Å; L535-I596 HydrophobicContact CD2-CD1 4.02Å |
| 536 | D | 94.9 | Very high | 93.7 | Very high | 68 Ų | 68 | 66.3 Ų | 66.3 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.4 | -49.3 | 172.7 | -70.2 | -32.9 | 0 | 0 | 0 | 111.4 | P532 V533 L538 R539 E540 | P532-D536 PolarHBondContact O-N 2.9Å; V533-D536 PolarHBondContact O-N 3.39Å; D536-L538 VanDerWaalsContact C-N 3.26Å; D536-L538 PolarHBondContact O-N 3.02Å; D536-R539 WeakPolarHBondContact O-CB 3.42Å; D536-R539 PolarHBondContact O-N 3Å; D536-R539 IonicContact OD1-CZ 2.65Å; D536-R539 IonicContact OD1-NH1 2.8Å; D536-R539 PolarHBondContact OD1-NH1 3.24Å; D536-R539 IonicContact OD1-NH2 3.76Å; D536-R539 PolarHBondContact OD1-NH2 3.42Å; D536-E540 PolarHBondContact O-N 3.5Å |
| 537 | H | 94.8 | Very high | 94.3 | Very high | 16 Ų | 16 | 73.2 Ų | 73.2 | 7% | 0.074 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.3 | -34.1 | 174.2 | -78.5 | 78 | 0 | 0 | 0 | 112.1 | V533 E540 T541 L592 | V533-H537 WeakPolarHBondContact O-CB 3.33Å; V533-H537 PolarHBondContact O-N 2.85Å; V533-H537 PolarHBondContact O-ND1 3.35Å; H537-E540 IonicContact CD2-OE2 2.62Å; H537-T541 WeakPolarHBondContact O-CB 3.1Å; H537-T541 PolarHBondContact O-N 3.03Å; H537-T541 PolarHBondContact O-OG1 3Å; H537-L592 HydrophobicContact CB-CD1 4.11Å; H537-L592 HydrophobicContact CB-CD2 3.9Å |
| 538 | L | 96 | Very high | 95 | Very high | 13 Ų | 13 | 67.6 Ų | 67.6 | 7% | 0.068 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 173.8 | -178.4 | 67.9 | 0 | 0 | 0 | 111.5 | L534 L535 D536 R542 L589 L592 E593 I596 | L534-L538 VanDerWaalsContact O-CB 3.3Å; L534-L538 WeakPolarHBondContact O-CB 3.26Å; L534-L538 PolarHBondContact O-N 2.93Å; L535-L538 PolarHBondContact O-N 3.36Å; D536-L538 VanDerWaalsContact C-N 3.26Å; D536-L538 PolarHBondContact O-N 3.02Å; L538-R542 VanDerWaalsContact O-CB 3.26Å; L538-R542 WeakPolarHBondContact O-CB 3.41Å; L538-R542 WeakPolarHBondContact O-CD 3.35Å; L538-R542 WeakPolarHBondContact O-CG 3.39Å; L538-R542 PolarHBondContact O-N 3.25Å; L538-R542 VanDerWaalsContact O-N 3.08Å; L538-L589 HydrophobicContact CD1-CD2 3.81Å; L538-L592 HydrophobicContact CD1-CB 4.1Å; L538-E593 HydrophobicContact CD1-CG 4.04Å; L538-I596 HydrophobicContact CB-CD1 4.03Å; L538-I596 HydrophobicContact CD2-CD1 3.62Å; L538-I596 HydrophobicContact CG-CD1 4.33Å |
| 539 | R | 97.7 | Very high | 95.6 | Very high | 157 Ų | 157 | 66 Ų | 66 | 59% | 0.592 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -65.5 | -49.7 | 175.3 | -179 | 177.7 | 64.8 | -103.1 | -0.6 | 111.4 | L535 D536 R542 A543 | L535-R539 PolarHBondContact O-N 3.32Å; D536-R539 WeakPolarHBondContact O-CB 3.42Å; D536-R539 PolarHBondContact O-N 3Å; D536-R539 IonicContact OD1-CZ 2.65Å; D536-R539 IonicContact OD1-NH1 2.8Å; D536-R539 PolarHBondContact OD1-NH1 3.24Å; D536-R539 IonicContact OD1-NH2 3.76Å; D536-R539 PolarHBondContact OD1-NH2 3.42Å; R539-R542 WeakPolarHBondContact O-CB 3.43Å; R539-R542 PolarHBondContact O-N 3.01Å; R539-A543 PolarHBondContact O-N 3.43Å |
| 540 | E | 96.7 | Very high | 96.1 | Very high | 89 Ų | 89 | 71.2 Ų | 71.2 | 42% | 0.416 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.7 | -54.2 | 177.5 | -178.8 | -172.5 | -119.3 | 0 | 0 | 111.4 | D536 H537 R542 A543 D544 | D536-E540 PolarHBondContact O-N 3.5Å; H537-E540 IonicContact CD2-OE2 2.62Å; E540-R542 PolarHBondContact O-N 2.9Å; E540-R542 VanDerWaalsContact O-N 3.12Å; E540-A543 CarbonylContact O-C 3.52Å; E540-A543 WeakPolarHBondContact O-CA 3.47Å; E540-A543 VanDerWaalsContact O-CB 3.32Å; E540-A543 WeakPolarHBondContact O-CB 3.38Å; E540-A543 PolarHBondContact O-N 3.45Å; E540-D544 PolarHBondContact O-N 2.91Å |
| 541 | T | 97 | Very high | 96.4 | Very high | 3 Ų | 3 | 68.2 Ų | 68.2 | 2% | 0.018 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62 | -27.1 | -179.7 | -52.8 | 0 | 0 | 0 | 0 | 111.7 | H537 K545 I585 K588 L589 L592 | H537-T541 WeakPolarHBondContact O-CB 3.1Å; H537-T541 PolarHBondContact O-N 3.03Å; H537-T541 PolarHBondContact O-OG1 3Å; T541-K545 WeakPolarHBondContact O-CB 3.41Å; T541-K545 PolarHBondContact O-N 3.17Å; T541-I585 HydrophobicContact CG2-CB 4.38Å; T541-I585 HydrophobicContact CG2-CG1 4.36Å; T541-I585 HydrophobicContact CG2-CG2 3.87Å; T541-K588 HydrophobicContact CG2-CB 3.88Å; T541-K588 HydrophobicContact CG2-CD 4.08Å; T541-K588 HydrophobicContact CG2-CG 3.83Å; T541-K588 WeakPolarHBondContact OG1-CE 3.36Å; T541-L589 HydrophobicContact CG2-CD2 3.53Å; T541-L589 HydrophobicContact CG2-CG 3.66Å; T541-L592 HydrophobicContact CG2-CD1 4.42Å |
| 542 | R | 98.1 | Very high | 96.7 | Very high | 132 Ų | 132 | 67.9 Ų | 67.9 | 50% | 0.498 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -72 | -37.5 | 170 | -78.9 | 169.7 | 177.7 | 177.9 | -1.7 | 112.3 | L538 R539 E540 K546 L589 E593 | L538-R542 VanDerWaalsContact O-CB 3.26Å; L538-R542 WeakPolarHBondContact O-CB 3.41Å; L538-R542 WeakPolarHBondContact O-CD 3.35Å; L538-R542 WeakPolarHBondContact O-CG 3.39Å; L538-R542 PolarHBondContact O-N 3.25Å; L538-R542 VanDerWaalsContact O-N 3.08Å; R539-R542 WeakPolarHBondContact O-CB 3.43Å; R539-R542 PolarHBondContact O-N 3.01Å; E540-R542 PolarHBondContact O-N 2.9Å; E540-R542 VanDerWaalsContact O-N 3.12Å; R542-K546 PolarHBondContact O-N 2.9Å; R542-L589 HydrophobicContact CG-CD1 4.41Å; R542-L589 HydrophobicContact CG-CD2 3.76Å; R542-E593 IonicContact NH2-OE1 2.68Å |
| 543 | A | 98.1 | Very high | 96.9 | Very high | 59 Ų | 59 | 71.2 Ų | 71.2 | 49% | 0.488 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.9 | -45.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R539 E540 K545 K546 R547 | R539-A543 PolarHBondContact O-N 3.43Å; E540-A543 CarbonylContact O-C 3.52Å; E540-A543 WeakPolarHBondContact O-CA 3.47Å; E540-A543 VanDerWaalsContact O-CB 3.32Å; E540-A543 WeakPolarHBondContact O-CB 3.38Å; E540-A543 PolarHBondContact O-N 3.45Å; A543-K545 PolarHBondContact O-N 2.84Å; A543-K546 CarbonylContact O-C 3.55Å; A543-K546 WeakPolarHBondContact O-CA 3.24Å; A543-K546 VanDerWaalsContact O-CB 3.27Å; A543-K546 WeakPolarHBondContact O-CB 3.25Å; A543-K546 PolarHBondContact O-N 2.88Å; A543-R547 PolarHBondContact O-N 3.43Å |
| 544 | D | 97.4 | Very high | 97.2 | Very high | 42 Ų | 42 | 72.4 Ų | 72.4 | 23% | 0.225 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 176.6 | -85.9 | -49.6 | 0 | 0 | 0 | 113 | E540 K546 R547 L548 I585 | E540-D544 PolarHBondContact O-N 2.91Å; D544-K546 PolarHBondContact O-N 3.22Å; D544-R547 WeakPolarHBondContact O-CB 3.33Å; D544-R547 PolarHBondContact O-N 3.39Å; D544-R547 VanDerWaalsContact O-N 3.12Å; D544-R547 IonicContact OD1-CZ 3.58Å; D544-R547 IonicContact OD1-NE 3.79Å; D544-R547 PolarHBondContact OD1-NE 3.28Å; D544-R547 IonicContact OD1-NH2 2.61Å; D544-R547 PolarHBondContact OD1-NH2 2.89Å; D544-L548 PolarHBondContact O-N 3.48Å; D544-I585 HydrophobicContact CB-CD1 3.81Å |
| 545 | K | 98.1 | Very high | 97.3 | Very high | 58 Ų | 58 | 73.8 Ų | 73.8 | 25% | 0.252 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.1 | -31.9 | 170.5 | 178.7 | 175.5 | 168.7 | -169.4 | 0 | 112.7 | T541 A543 R549 Y582 I585 L589 | T541-K545 WeakPolarHBondContact O-CB 3.41Å; T541-K545 PolarHBondContact O-N 3.17Å; A543-K545 PolarHBondContact O-N 2.84Å; K545-R549 WeakPolarHBondContact O-CB 3.33Å; K545-R549 PolarHBondContact O-N 2.92Å; K545-Y582 HydrophobicContact CG-CE2 3.93Å; K545-I585 HydrophobicContact CB-CG2 3.7Å; K545-L589 HydrophobicContact CB-CD1 4.49Å; K545-L589 HydrophobicContact CD-CD1 3.21Å; K545-L589 HydrophobicContact CG-CD1 4.5Å |
| 546 | K | 98.4 | Very high | 97.4 | Very high | 164 Ų | 164 | 73.1 Ų | 73.1 | 71% | 0.713 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -75.5 | -42.5 | 174.4 | -172.7 | -174.3 | 176.5 | -172.8 | 0 | 110.7 | R542 A543 D544 R549 K550 | R542-K546 PolarHBondContact O-N 2.9Å; A543-K546 CarbonylContact O-C 3.55Å; A543-K546 WeakPolarHBondContact O-CA 3.24Å; A543-K546 VanDerWaalsContact O-CB 3.27Å; A543-K546 WeakPolarHBondContact O-CB 3.25Å; A543-K546 PolarHBondContact O-N 2.88Å; D544-K546 PolarHBondContact O-N 3.22Å; K546-R549 PolarHBondContact O-N 2.84Å; K546-K550 PolarHBondContact O-N 3.34Å |
| 547 | R | 98.4 | Very high | 97.5 | Very high | 144 Ų | 144 | 75 Ų | 75 | 54% | 0.543 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.7 | -56.9 | 175.6 | -177.6 | 178.3 | 63.4 | 87 | -4.4 | 111.8 | A543 D544 R549 K550 A551 | A543-R547 PolarHBondContact O-N 3.43Å; D544-R547 WeakPolarHBondContact O-CB 3.33Å; D544-R547 PolarHBondContact O-N 3.39Å; D544-R547 VanDerWaalsContact O-N 3.12Å; D544-R547 IonicContact OD1-CZ 3.58Å; D544-R547 IonicContact OD1-NE 3.79Å; D544-R547 PolarHBondContact OD1-NE 3.28Å; D544-R547 IonicContact OD1-NH2 2.61Å; D544-R547 PolarHBondContact OD1-NH2 2.89Å; R547-R549 VanDerWaalsContact C-N 3.31Å; R547-R549 PolarHBondContact O-N 3.38Å; R547-K550 WeakPolarHBondContact O-CA 3.26Å; R547-K550 WeakPolarHBondContact O-CB 3.42Å; R547-K550 PolarHBondContact O-N 2.82Å; R547-A551 PolarHBondContact O-N 2.83Å |
| 548 | L | 98.1 | Very high | 97.6 | Very high | 5 Ų | 5 | 79 Ų | 79 | 3% | 0.026 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.2 | -36.9 | 178.6 | -66.6 | 174.3 | 0 | 0 | 0 | 112.1 | D544 K550 A551 L552 E578 E581 Y582 I585 | D544-L548 PolarHBondContact O-N 3.48Å; L548-K550 VanDerWaalsContact C-N 3.27Å; L548-K550 PolarHBondContact O-N 3.04Å; L548-A551 PolarHBondContact O-N 3.39Å; L548-L552 WeakPolarHBondContact O-CB 3.29Å; L548-L552 VanDerWaalsContact O-CG 3.3Å; L548-L552 WeakPolarHBondContact O-CG 3.49Å; L548-L552 PolarHBondContact O-N 2.84Å; L548-E578 HydrophobicContact CD2-CB 3.95Å; L548-E578 HydrophobicContact CD2-CG 3.77Å; L548-E581 HydrophobicContact CD1-CB 3.7Å; L548-Y582 HydrophobicContact CB-CD2 4.15Å; L548-I585 HydrophobicContact CD1-CD1 3.45Å; L548-I585 VanDerWaalsContact CD1-CD1 3.45Å |
| 549 | R | 98.2 | Very high | 97.7 | Very high | 109 Ų | 109 | 79.6 Ų | 79.6 | 41% | 0.411 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68.4 | -22 | 172.2 | -171.9 | -174.3 | -67.2 | 175.6 | -5.1 | 113.1 | K545 K546 R547 R553 Y582 | K545-R549 WeakPolarHBondContact O-CB 3.33Å; K545-R549 PolarHBondContact O-N 2.92Å; K546-R549 PolarHBondContact O-N 2.84Å; R547-R549 VanDerWaalsContact C-N 3.31Å; R547-R549 PolarHBondContact O-N 3.38Å; R549-R553 PolarHBondContact O-NE 3.46Å; R549-R553 PolarHBondContact O-NH2 3.28Å; R549-Y582 HydrophobicContact CB-CE2 4.11Å; R549-Y582 PolarHBondContact NE-OH 3.41Å; R549-Y582 VanDerWaalsContact NE-OH 3.15Å; R549-Y582 PolarHBondContact NH2-OH 3.46Å |
| 550 | K | 98.4 | Very high | 97.6 | Very high | 119 Ų | 119 | 77.5 Ų | 77.5 | 52% | 0.517 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -71.8 | -60.4 | 166.2 | -173 | -176.7 | 179.2 | -84.2 | 0 | 108.7 | K546 R547 L548 L552 R553 E554 | K546-K550 PolarHBondContact O-N 3.34Å; R547-K550 WeakPolarHBondContact O-CA 3.26Å; R547-K550 WeakPolarHBondContact O-CB 3.42Å; R547-K550 PolarHBondContact O-N 2.82Å; L548-K550 VanDerWaalsContact C-N 3.27Å; L548-K550 PolarHBondContact O-N 3.04Å; K550-L552 PolarHBondContact O-N 3.22Å; K550-R553 PolarHBondContact O-N 3.09Å; K550-E554 IonicContact NZ-OE1 2.68Å; K550-E554 PolarHBondContact NZ-OE1 3.28Å; K550-E554 IonicContact NZ-OE2 3.19Å; K550-E554 PolarHBondContact NZ-OE2 2.99Å; K550-E554 WeakPolarHBondContact O-CB 3.43Å; K550-E554 PolarHBondContact O-N 3.14Å |
| 551 | A | 97.8 | Very high | 97.7 | Very high | 29 Ų | 29 | 80.3 Ų | 80.3 | 24% | 0.24 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -51.5 | -48.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R547 L548 R553 E554 F555 M575 | R547-A551 PolarHBondContact O-N 2.83Å; L548-A551 PolarHBondContact O-N 3.39Å; A551-R553 VanDerWaalsContact C-N 3.34Å; A551-R553 PolarHBondContact O-N 3.33Å; A551-E554 PolarHBondContact O-N 3.24Å; A551-F555 WeakPolarHBondContact O-CB 3.32Å; A551-F555 PolarHBondContact O-N 3.41Å; A551-M575 HydrophobicContact CB-CE 4.39Å |
| 552 | L | 97.6 | Very high | 97.6 | Very high | 10 Ų | 10 | 87.6 Ų | 87.6 | 5% | 0.052 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.4 | -34 | 179.3 | -68.6 | 176 | 0 | 0 | 0 | 113.5 | L548 K550 E556 M575 E578 Y579 Y582 | L548-L552 WeakPolarHBondContact O-CB 3.29Å; L548-L552 VanDerWaalsContact O-CG 3.3Å; L548-L552 WeakPolarHBondContact O-CG 3.49Å; L548-L552 PolarHBondContact O-N 2.84Å; K550-L552 PolarHBondContact O-N 3.22Å; L552-E556 WeakPolarHBondContact O-CB 3.48Å; L552-E556 VanDerWaalsContact O-CG 3.27Å; L552-E556 WeakPolarHBondContact O-CG 3.37Å; L552-E556 PolarHBondContact O-N 3.33Å; L552-M575 HydrophobicContact CD2-CB 4.22Å; L552-M575 HydrophobicContact CD2-CE 4.23Å; L552-E578 HydrophobicContact CD2-CB 3.61Å; L552-E578 HydrophobicContact CG-CB 4.09Å; L552-Y579 HydrophobicContact CD1-CD1 3.75Å; L552-Y579 HydrophobicContact CD1-CE1 3.95Å; L552-Y579 HydrophobicContact CD1-CG 4.37Å; L552-Y579 HydrophobicContact CD2-CD1 3.78Å; L552-Y579 HydrophobicContact CD2-CD2 3.75Å; L552-Y579 HydrophobicContact CD2-CE1 3.78Å; L552-Y579 HydrophobicContact CD2-CE2 3.75Å; L552-Y579 HydrophobicContact CD2-CG 3.76Å; L552-Y579 HydrophobicContact CG-CD1 4.37Å; L552-Y579 HydrophobicContact CG-CE1 4.31Å; L552-Y582 HydrophobicContact CD1-CD1 4.21Å; L552-Y582 HydrophobicContact CD1-CG 4.03Å |
| 553 | R | 97.6 | Very high | 97.5 | Very high | 145 Ų | 145 | 84.2 Ų | 84.2 | 55% | 0.547 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -79 | -36.1 | 175.8 | -77.6 | -176.7 | -63.6 | 162.7 | 8.2 | 112.3 | R549 K550 A551 F555 E556 E557 | R549-R553 PolarHBondContact O-NE 3.46Å; R549-R553 PolarHBondContact O-NH2 3.28Å; K550-R553 PolarHBondContact O-N 3.09Å; A551-R553 VanDerWaalsContact C-N 3.34Å; A551-R553 PolarHBondContact O-N 3.33Å; R553-F555 VanDerWaalsContact C-N 3.32Å; R553-E556 PolarHBondContact O-N 2.81Å; R553-E557 WeakPolarHBondContact O-CB 3.45Å; R553-E557 PolarHBondContact O-N 3.4Å |
| 554 | E | 97.8 | Very high | 97.3 | Very high | 75 Ų | 75 | 84.2 Ų | 84.2 | 35% | 0.35 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 175.4 | -176.1 | 161.4 | -147 | 0 | 0 | 110.4 | K550 A551 Q558 | K550-E554 IonicContact NZ-OE1 2.68Å; K550-E554 PolarHBondContact NZ-OE1 3.28Å; K550-E554 IonicContact NZ-OE2 3.19Å; K550-E554 PolarHBondContact NZ-OE2 2.99Å; K550-E554 WeakPolarHBondContact O-CB 3.43Å; K550-E554 PolarHBondContact O-N 3.14Å; A551-E554 PolarHBondContact O-N 3.24Å; E554-Q558 VanDerWaalsContact O-CB 3.27Å; E554-Q558 WeakPolarHBondContact O-CB 3.47Å; E554-Q558 WeakPolarHBondContact O-CG 3.46Å; E554-Q558 PolarHBondContact O-N 2.95Å |
| 555 | F | 97.6 | Very high | 97.2 | Very high | 29 Ų | 29 | 87.6 Ų | 87.6 | 13% | 0.127 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.7 | -52.3 | 166.4 | 171.2 | -99.4 | 0 | 0 | 0 | 112.8 | A551 R553 E557 Q558 F559 P567 D571 M575 | A551-F555 WeakPolarHBondContact O-CB 3.32Å; A551-F555 PolarHBondContact O-N 3.41Å; R553-F555 VanDerWaalsContact C-N 3.32Å; F555-E557 PolarHBondContact O-N 2.99Å; F555-Q558 PolarHBondContact O-N 2.99Å; F555-F559 HydrophobicContact CE2-CB 4.48Å; F555-F559 HydrophobicContact CE2-CD2 4.46Å; F555-F559 HydrophobicContact CZ-CB 4.32Å; F555-F559 HydrophobicContact CZ-CD2 4.11Å; F555-F559 HydrophobicContact CZ-CG 4.41Å; F555-F559 WeakPolarHBondContact O-CB 3.44Å; F555-F559 PolarHBondContact O-N 2.94Å; F555-P567 HydrophobicContact CD1-CG 4.34Å; F555-P567 HydrophobicContact CE1-CB 3.95Å; F555-P567 HydrophobicContact CE1-CG 3.67Å; F555-P567 HydrophobicContact CZ-CG 4.35Å; F555-D571 VanDerWaalsContact CZ-O 3.3Å; F555-D571 WeakPolarHBondContact CZ-O 3.49Å; F555-M575 HydrophobicContact CB-CE 4.2Å; F555-M575 HydrophobicContact CB-CG 3.83Å; F555-M575 HydrophobicContact CB-SD 3.96Å; F555-M575 HydrophobicContact CD1-CB 4.46Å; F555-M575 HydrophobicContact CD1-CG 3.62Å; F555-M575 HydrophobicContact CD2-CG 3.43Å; F555-M575 VanDerWaalsContact CD2-CG 3.43Å; F555-M575 HydrophobicContact CD2-SD 3.92Å; F555-M575 HydrophobicContact CE1-CG 4.04Å; F555-M575 HydrophobicContact CE2-CG 3.87Å; F555-M575 HydrophobicContact CG-CG 3.3Å; F555-M575 HydrophobicContact CG-SD 3.98Å; F555-M575 HydrophobicContact CZ-CG 4.17Å |
| 556 | E | 96.3 | Very high | 97.1 | Very high | 70 Ų | 70 | 89 Ų | 89 | 33% | 0.327 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -57.4 | -34.9 | 179.5 | -78.3 | 172.2 | 172.8 | 0 | 0 | 111.9 | L552 R553 F560 P567 R572 Y579 | L552-E556 WeakPolarHBondContact O-CB 3.48Å; L552-E556 VanDerWaalsContact O-CG 3.27Å; L552-E556 WeakPolarHBondContact O-CG 3.37Å; L552-E556 PolarHBondContact O-N 3.33Å; R553-E556 PolarHBondContact O-N 2.81Å; E556-F560 VanDerWaalsContact O-CB 3.29Å; E556-F560 WeakPolarHBondContact O-CB 3.35Å; E556-F560 PolarHBondContact O-N 2.87Å; E556-F560 VanDerWaalsContact O-N 3.1Å; E556-P567 HydrophobicContact CG-CG 4.05Å; E556-R572 IonicContact OE1-NH1 3.51Å; E556-R572 PolarHBondContact OE1-NH1 2.87Å; E556-Y579 PolarHBondContact OE1-OH 3.22Å |
| 557 | E | 97.8 | Very high | 96.9 | Very high | 107 Ų | 107 | 81.5 Ų | 81.5 | 50% | 0.5 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -75.6 | -47.6 | 176.4 | -172.5 | -173.8 | 150.6 | 0 | 0 | 112.9 | R553 F555 F559 F560 K561 | R553-E557 WeakPolarHBondContact O-CB 3.45Å; R553-E557 PolarHBondContact O-N 3.4Å; F555-E557 PolarHBondContact O-N 2.99Å; E557-F559 VanDerWaalsContact C-N 3.3Å; E557-F559 PolarHBondContact O-N 3.26Å; E557-F560 PolarHBondContact O-N 3.12Å; E557-K561 HydrophobicContact CG-CD 4.25Å; E557-K561 WeakPolarHBondContact O-CB 3.49Å; E557-K561 VanDerWaalsContact O-CG 3.31Å; E557-K561 WeakPolarHBondContact O-CG 3.45Å; E557-K561 PolarHBondContact O-N 2.95Å; E557-K561 VanDerWaalsContact OE1-CE 3.31Å; E557-K561 WeakPolarHBondContact OE1-CE 3.3Å; E557-K561 IonicContact OE1-NZ 3.38Å; E557-K561 PolarHBondContact OE1-NZ 2.68Å |
| 558 | Q | 97.2 | Very high | 96.7 | Very high | 99 Ų | 99 | 80.6 Ų | 80.6 | 46% | 0.463 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61 | -40.2 | 175.7 | -76 | 173.3 | 11.3 | 0 | 0 | 111.5 | E554 F555 K561 Q562 | E554-Q558 VanDerWaalsContact O-CB 3.27Å; E554-Q558 WeakPolarHBondContact O-CB 3.47Å; E554-Q558 WeakPolarHBondContact O-CG 3.46Å; E554-Q558 PolarHBondContact O-N 2.95Å; F555-Q558 PolarHBondContact O-N 2.99Å; Q558-K561 PolarHBondContact O-N 2.95Å; Q558-Q562 WeakPolarHBondContact O-CG 3.47Å; Q558-Q562 PolarHBondContact O-N 3.32Å; Q558-Q562 VanDerWaalsContact O-N 3.12Å; Q558-Q562 PolarHBondContact O-NE2 3.26Å |
| 559 | F | 97.3 | Very high | 96.5 | Very high | 26 Ų | 26 | 88.2 Ų | 88.2 | 11% | 0.114 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -66.7 | -43.5 | 176.5 | -175.2 | -86.7 | 0 | 0 | 0 | 111.6 | F555 E557 Q562 T563 R565 P567 D571 | F555-F559 HydrophobicContact CE2-CB 4.48Å; F555-F559 HydrophobicContact CE2-CD2 4.46Å; F555-F559 HydrophobicContact CZ-CB 4.32Å; F555-F559 HydrophobicContact CZ-CD2 4.11Å; F555-F559 HydrophobicContact CZ-CG 4.41Å; F555-F559 WeakPolarHBondContact O-CB 3.44Å; F555-F559 PolarHBondContact O-N 2.94Å; E557-F559 VanDerWaalsContact C-N 3.3Å; E557-F559 PolarHBondContact O-N 3.26Å; F559-Q562 PolarHBondContact O-N 3.45Å; F559-T563 HydrophobicContact CD1-CG2 4.48Å; F559-T563 WeakPolarHBondContact CD1-OG1 3.41Å; F559-T563 HydrophobicContact CD2-CG2 4.38Å; F559-T563 HydrophobicContact CE1-CG2 4.11Å; F559-T563 WeakPolarHBondContact CE1-OG1 3.34Å; F559-T563 HydrophobicContact CE2-CG2 3.97Å; F559-T563 HydrophobicContact CZ-CG2 3.82Å; F559-T563 PolarHBondContact O-N 2.91Å; F559-T563 PolarHBondContact O-OG1 3.47Å; F559-R565 WeakPolarHBondContact CD1-O 3.47Å; F559-R565 HydrophobicContact CE1-CG 4.17Å; F559-R565 WeakPolarHBondContact CE1-O 3.49Å; F559-P567 HydrophobicContact CB-CG 4Å; F559-P567 HydrophobicContact CD1-CB 4.13Å; F559-P567 HydrophobicContact CD1-CG 3.53Å; F559-P567 HydrophobicContact CE1-CB 4.29Å; F559-P567 HydrophobicContact CE1-CG 4.16Å; F559-P567 HydrophobicContact CG-CB 4.45Å; F559-P567 HydrophobicContact CG-CG 3.78Å; F559-D571 HydrophobicContact CD2-CB 4.41Å; F559-D571 HydrophobicContact CE1-CB 4.41Å; F559-D571 HydrophobicContact CE2-CB 3.61Å; F559-D571 HydrophobicContact CZ-CB 3.61Å; F559-D571 VanDerWaalsContact CZ-OD1 3.31Å; F559-D571 WeakPolarHBondContact CZ-OD1 3.34Å |
| 560 | F | 96.8 | Very high | 96.3 | Very high | 114 Ų | 114 | 88 Ų | 88 | 50% | 0.5 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 175.7 | -178.7 | -101.7 | 0 | 0 | 0 | 112.1 | E556 E557 Q562 G564 | E556-F560 VanDerWaalsContact O-CB 3.29Å; E556-F560 WeakPolarHBondContact O-CB 3.35Å; E556-F560 PolarHBondContact O-N 2.87Å; E556-F560 VanDerWaalsContact O-N 3.1Å; E557-F560 PolarHBondContact O-N 3.12Å; F560-Q562 VanDerWaalsContact C-N 3.31Å; F560-Q562 PolarHBondContact O-N 3.38Å; F560-G564 WeakPolarHBondContact CE2-O 3.43Å; F560-G564 WeakPolarHBondContact O-CA 3.26Å; F560-G564 PolarHBondContact O-N 2.91Å |
| 561 | K | 97.4 | Very high | 96 | Very high | 148 Ų | 148 | 84 Ų | 84 | 64% | 0.643 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.5 | -36.8 | 174.8 | -76.6 | 169 | 172.6 | 173 | 0 | 113.1 | E557 Q558 | E557-K561 HydrophobicContact CG-CD 4.25Å; E557-K561 WeakPolarHBondContact O-CB 3.49Å; E557-K561 VanDerWaalsContact O-CG 3.31Å; E557-K561 WeakPolarHBondContact O-CG 3.45Å; E557-K561 PolarHBondContact O-N 2.95Å; E557-K561 VanDerWaalsContact OE1-CE 3.31Å; E557-K561 WeakPolarHBondContact OE1-CE 3.3Å; E557-K561 IonicContact OE1-NZ 3.38Å; E557-K561 PolarHBondContact OE1-NZ 2.68Å; Q558-K561 PolarHBondContact O-N 2.95Å |
| 562 | Q | 96.4 | Very high | 95.9 | Very high | 155 Ų | 155 | 86.4 Ų | 86.4 | 72% | 0.724 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -82.7 | -34.9 | -179.3 | -74.5 | 170.4 | 86.9 | 0 | 0 | 113.9 | Q558 F559 F560 | Q558-Q562 WeakPolarHBondContact O-CG 3.47Å; Q558-Q562 PolarHBondContact O-N 3.32Å; Q558-Q562 VanDerWaalsContact O-N 3.12Å; Q558-Q562 PolarHBondContact O-NE2 3.26Å; F559-Q562 PolarHBondContact O-N 3.45Å; F560-Q562 VanDerWaalsContact C-N 3.31Å; F560-Q562 PolarHBondContact O-N 3.38Å |
| 563 | T | 94.1 | Very high | 95.7 | Very high | 62 Ų | 62 | 91.8 Ų | 91.8 | 38% | 0.38 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -115.2 | -8.4 | -169 | 67.1 | 0 | 0 | 0 | 0 | 114.8 | F559 R565 | F559-T563 HydrophobicContact CD1-CG2 4.48Å; F559-T563 WeakPolarHBondContact CD1-OG1 3.41Å; F559-T563 HydrophobicContact CD2-CG2 4.38Å; F559-T563 HydrophobicContact CE1-CG2 4.11Å; F559-T563 WeakPolarHBondContact CE1-OG1 3.34Å; F559-T563 HydrophobicContact CE2-CG2 3.97Å; F559-T563 HydrophobicContact CZ-CG2 3.82Å; F559-T563 PolarHBondContact O-N 2.91Å; F559-T563 PolarHBondContact O-OG1 3.47Å; T563-R565 PolarHBondContact O-N 3.19Å; T563-R565 VanDerWaalsContact O-N 3.14Å; T563-R565 WeakPolarHBondContact OG1-CG 3.36Å; T563-R565 PolarHBondContact OG1-N 3.45Å; T563-R565 PolarHBondContact OG1-O 3.26Å |
| 564 | G | 95.8 | Very high | 95.5 | Very high | 59 Ų | 59 | 89.8 Ų | 89.8 | 61% | 0.608 | 45% | 0.447 | S | S | * | . | S | Bend | trans | 67.4 | 4.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115 | F560 | F560-G564 WeakPolarHBondContact CE2-O 3.43Å; F560-G564 WeakPolarHBondContact O-CA 3.26Å; F560-G564 PolarHBondContact O-N 2.91Å |
| 565 | R | 95.3 | Very high | 95.5 | Very high | 112 Ų | 112 | 87.5 Ų | 87.5 | 42% | 0.423 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -133.7 | 158.9 | -176.7 | 63.8 | 175.9 | -173.9 | 83.6 | -3.3 | 111.5 | F559 T563 D571 | F559-R565 WeakPolarHBondContact CD1-O 3.47Å; F559-R565 HydrophobicContact CE1-CG 4.17Å; F559-R565 WeakPolarHBondContact CE1-O 3.49Å; T563-R565 PolarHBondContact O-N 3.19Å; T563-R565 VanDerWaalsContact O-N 3.14Å; T563-R565 WeakPolarHBondContact OG1-CG 3.36Å; T563-R565 PolarHBondContact OG1-N 3.45Å; T563-R565 PolarHBondContact OG1-O 3.26Å; R565-D571 IonicContact CZ-OD1 2.76Å; R565-D571 IonicContact CZ-OD2 3.58Å; R565-D571 IonicContact NH1-OD1 3.84Å; R565-D571 IonicContact NH1-OD2 3.17Å; R565-D571 PolarHBondContact NH1-OD2 3.01Å; R565-D571 IonicContact NH2-OD1 2.72Å; R565-D571 PolarHBondContact NH2-OD1 3.01Å; R565-D571 IonicContact NH2-OD2 3.73Å; R565-D571 PolarHBondContact NH2-OD2 2.92Å |
| 566 | S | 95.1 | Very high | 95.4 | Very high | 87 Ų | 87 | 87.6 Ų | 87.6 | 61% | 0.608 | 44% | 0.443 | S | S | * | . | trans | -73.6 | 153.5 | 173.9 | -49.4 | 0 | 0 | 0 | 0 | 111.7 | Q568 | S566-Q568 PolarHBondContact O-N 2.91Š| ||
| 567 | P | 94.9 | Very high | 95.4 | Very high | 8 Ų | 8 | 89.9 Ų | 89.9 | 5% | 0.052 | 46% | 0.458 | C | S | . | . | trans | -61 | 127.6 | 174.7 | -22 | 31.6 | 0 | 0 | 0 | 112.3 | F555 E556 F559 D571 R572 | F555-P567 HydrophobicContact CD1-CG 4.34Å; F555-P567 HydrophobicContact CE1-CB 3.95Å; F555-P567 HydrophobicContact CE1-CG 3.67Å; F555-P567 HydrophobicContact CZ-CG 4.35Å; E556-P567 HydrophobicContact CG-CG 4.05Å; F559-P567 HydrophobicContact CB-CG 4Å; F559-P567 HydrophobicContact CD1-CB 4.13Å; F559-P567 HydrophobicContact CD1-CG 3.53Å; F559-P567 HydrophobicContact CE1-CB 4.29Å; F559-P567 HydrophobicContact CE1-CG 4.16Å; F559-P567 HydrophobicContact CG-CB 4.45Å; F559-P567 HydrophobicContact CG-CG 3.78Å; P567-D571 HydrophobicContact CB-CB 4.05Å; P567-R572 HydrophobicContact CB-CG 3.92Å; P567-R572 PolarHBondContact O-NE 3.47Å; P567-R572 PolarHBondContact O-NH2 3.44Å | ||
| 568 | Q | 94.2 | Very high | 95.4 | Very high | 124 Ų | 124 | 87.8 Ų | 87.8 | 58% | 0.579 | 45% | 0.448 | S | S | * | . | trans | -76.3 | -156.8 | 168.3 | -149.8 | 173.9 | -97.4 | 0 | 0 | 109.8 | S566 E570 D571 R572 | S566-Q568 PolarHBondContact O-N 2.91Å; Q568-E570 WeakPolarHBondContact CB-OE2 3.4Å; Q568-E570 VanDerWaalsContact CG-OE2 3.3Å; Q568-E570 WeakPolarHBondContact CG-OE2 3.49Å; Q568-E570 PolarHBondContact NE2-OE2 3.5Å; Q568-D571 WeakPolarHBondContact CA-OD2 3.45Å; Q568-D571 WeakPolarHBondContact CB-OD2 3.44Å; Q568-D571 PolarHBondContact N-OD2 2.89Å; Q568-R572 WeakPolarHBondContact O-CD 3.33Å; Q568-R572 WeakPolarHBondContact O-CG 3.28Å; Q568-R572 PolarHBondContact O-NE 2.94Å | ||
| 569 | K | 92.7 | Very high | 95.4 | Very high | 166 Ų | 166 | 85.8 Ų | 85.8 | 72% | 0.722 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -82.9 | -37.1 | 179.1 | -59.1 | 172.4 | -176.7 | 168.6 | 0 | 111.1 | R572 | K569-R572 PolarHBondContact O-N 3.12Š|
| 570 | E | 93.4 | Very high | 95.4 | Very high | 103 Ų | 103 | 91.7 Ų | 91.7 | 48% | 0.481 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -70.2 | -42.6 | -175.4 | -57.8 | 68.4 | -150.4 | 0 | 0 | 109.2 | Q568 R572 I573 | Q568-E570 WeakPolarHBondContact CB-OE2 3.4Å; Q568-E570 VanDerWaalsContact CG-OE2 3.3Å; Q568-E570 WeakPolarHBondContact CG-OE2 3.49Å; Q568-E570 PolarHBondContact NE2-OE2 3.5Å; E570-R572 PolarHBondContact O-N 2.91Å; E570-I573 WeakPolarHBondContact O-CD1 3.25Å; E570-I573 VanDerWaalsContact O-CG1 3.27Å; E570-I573 WeakPolarHBondContact O-CG1 3.15Å; E570-I573 PolarHBondContact O-N 3.45Å |
| 571 | D | 94 | Very high | 95.4 | Very high | 35 Ų | 35 | 90.4 Ų | 90.4 | 19% | 0.187 | 45% | 0.454 | C | S | . | . | G | 310 helix | trans | -63.3 | -20.2 | 174.5 | -51 | -66.2 | 0 | 0 | 0 | 113.6 | F555 F559 R565 P567 Q568 P574 | F555-D571 VanDerWaalsContact CZ-O 3.3Å; F555-D571 WeakPolarHBondContact CZ-O 3.49Å; F559-D571 HydrophobicContact CD2-CB 4.41Å; F559-D571 HydrophobicContact CE1-CB 4.41Å; F559-D571 HydrophobicContact CE2-CB 3.61Å; F559-D571 HydrophobicContact CZ-CB 3.61Å; F559-D571 VanDerWaalsContact CZ-OD1 3.31Å; F559-D571 WeakPolarHBondContact CZ-OD1 3.34Å; R565-D571 IonicContact CZ-OD1 2.76Å; R565-D571 IonicContact CZ-OD2 3.58Å; R565-D571 IonicContact NH1-OD1 3.84Å; R565-D571 IonicContact NH1-OD2 3.17Å; R565-D571 PolarHBondContact NH1-OD2 3.01Å; R565-D571 IonicContact NH2-OD1 2.72Å; R565-D571 PolarHBondContact NH2-OD1 3.01Å; R565-D571 IonicContact NH2-OD2 3.73Å; R565-D571 PolarHBondContact NH2-OD2 2.92Å; P567-D571 HydrophobicContact CB-CB 4.05Å; Q568-D571 WeakPolarHBondContact CA-OD2 3.45Å; Q568-D571 WeakPolarHBondContact CB-OD2 3.44Å; Q568-D571 PolarHBondContact N-OD2 2.89Å; D571-P574 WeakPolarHBondContact O-CD 3.35Å |
| 572 | R | 93.8 | Very high | 95.4 | Very high | 81 Ų | 81 | 86 Ų | 86 | 31% | 0.306 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -86.4 | -5.2 | -177.6 | -67.8 | 169 | -159.3 | -110.2 | -2.6 | 113.7 | E556 P567 Q568 K569 E570 P574 M575 A576 Y579 | E556-R572 IonicContact OE1-NH1 3.51Å; E556-R572 PolarHBondContact OE1-NH1 2.87Å; P567-R572 HydrophobicContact CB-CG 3.92Å; P567-R572 PolarHBondContact O-NE 3.47Å; P567-R572 PolarHBondContact O-NH2 3.44Å; Q568-R572 WeakPolarHBondContact O-CD 3.33Å; Q568-R572 WeakPolarHBondContact O-CG 3.28Å; Q568-R572 PolarHBondContact O-NE 2.94Å; K569-R572 PolarHBondContact O-N 3.12Å; E570-R572 PolarHBondContact O-N 2.91Å; R572-P574 VanDerWaalsContact C-CD 3.45Å; R572-P574 VanDerWaalsContact C-N 3.32Å; R572-M575 CarbonylContact O-C 3.58Å; R572-M575 PolarHBondContact O-N 3.23Å; R572-A576 PolarHBondContact O-N 3.22Å; R572-Y579 HydrophobicContact CB-CD2 4.29Å; R572-Y579 HydrophobicContact CB-CE2 3.86Å; R572-Y579 HydrophobicContact CG-CE2 3.74Å; R572-Y579 PolarHBondContact NH1-OH 3.17Å |
| 573 | I | 94.3 | Very high | 95.4 | Very high | 122 Ų | 122 | 85.8 Ų | 85.8 | 63% | 0.626 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -54.5 | -40.9 | -179.8 | -66.1 | 169.1 | 0 | 0 | 0 | 112.3 | E570 M575 A576 | E570-I573 WeakPolarHBondContact O-CD1 3.25Å; E570-I573 VanDerWaalsContact O-CG1 3.27Å; E570-I573 WeakPolarHBondContact O-CG1 3.15Å; E570-I573 PolarHBondContact O-N 3.45Å; I573-M575 PolarHBondContact O-N 2.68Å; I573-M575 VanDerWaalsContact O-N 3.15Å; I573-A576 VanDerWaalsContact O-CB 3.29Å; I573-A576 WeakPolarHBondContact O-CB 3.3Å; I573-A576 PolarHBondContact O-N 3.25Å; I573-A576 VanDerWaalsContact O-N 3.17Å |
| 574 | P | 94.5 | Very high | 95.5 | Very high | 103 Ų | 103 | 86.9 Ų | 86.9 | 67% | 0.669 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -65.5 | -13 | 176.2 | -22.4 | 35.2 | 0 | 0 | 0 | 115.8 | D571 R572 | D571-P574 WeakPolarHBondContact O-CD 3.35Å; R572-P574 VanDerWaalsContact C-CD 3.45Å; R572-P574 VanDerWaalsContact C-N 3.32Å |
| 575 | M | 96.2 | Very high | 95.6 | Very high | 27 Ų | 27 | 84.6 Ų | 84.6 | 13% | 0.133 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -118.4 | 18.7 | 177.3 | -60 | -60.5 | -57.1 | 0 | 0 | 111.8 | A551 L552 F555 R572 I573 D577 E578 Y579 | A551-M575 HydrophobicContact CB-CE 4.39Å; L552-M575 HydrophobicContact CD2-CB 4.22Å; L552-M575 HydrophobicContact CD2-CE 4.23Å; F555-M575 HydrophobicContact CB-CE 4.2Å; F555-M575 HydrophobicContact CB-CG 3.83Å; F555-M575 HydrophobicContact CB-SD 3.96Å; F555-M575 HydrophobicContact CD1-CB 4.46Å; F555-M575 HydrophobicContact CD1-CG 3.62Å; F555-M575 HydrophobicContact CD2-CG 3.43Å; F555-M575 VanDerWaalsContact CD2-CG 3.43Å; F555-M575 HydrophobicContact CD2-SD 3.92Å; F555-M575 HydrophobicContact CE1-CG 4.04Å; F555-M575 HydrophobicContact CE2-CG 3.87Å; F555-M575 HydrophobicContact CG-CG 3.3Å; F555-M575 HydrophobicContact CG-SD 3.98Å; F555-M575 HydrophobicContact CZ-CG 4.17Å; R572-M575 CarbonylContact O-C 3.58Å; R572-M575 PolarHBondContact O-N 3.23Å; I573-M575 PolarHBondContact O-N 2.68Å; I573-M575 VanDerWaalsContact O-N 3.15Å; M575-D577 PolarHBondContact O-N 3.49Å; M575-E578 WeakPolarHBondContact CA-OE2 3.33Å; M575-E578 HydrophobicContact CE-CB 4.01Å; M575-E578 HydrophobicContact CE-CG 3.71Å; M575-E578 PolarHBondContact O-N 2.8Å; M575-Y579 HydrophobicContact CB-CD2 4.08Å; M575-Y579 HydrophobicContact CB-CE2 4.07Å; M575-Y579 WeakPolarHBondContact O-CD2 3.41Å; M575-Y579 PolarHBondContact O-N 2.99Å; M575-Y579 VanDerWaalsContact O-N 3.1Å |
| 576 | A | 95.8 | Very high | 95.7 | Very high | 31 Ų | 31 | 84.3 Ų | 84.3 | 26% | 0.256 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -57.3 | -42.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | R572 I573 Y579 Y580 | R572-A576 PolarHBondContact O-N 3.22Å; I573-A576 VanDerWaalsContact O-CB 3.29Å; I573-A576 WeakPolarHBondContact O-CB 3.3Å; I573-A576 PolarHBondContact O-N 3.25Å; I573-A576 VanDerWaalsContact O-N 3.17Å; A576-Y579 PolarHBondContact O-N 3.07Å; A576-Y580 HydrophobicContact CB-CD2 4.45Å; A576-Y580 HydrophobicContact CB-CE2 4.28Å; A576-Y580 WeakPolarHBondContact O-CD2 3.34Å; A576-Y580 PolarHBondContact O-N 2.81Å |
| 577 | D | 97 | Very high | 95.8 | Very high | 119 Ų | 119 | 82.5 Ų | 82.5 | 64% | 0.636 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -69.1 | -41.7 | -176.9 | -63.2 | -21.4 | 0 | 0 | 0 | 111.6 | M575 Y579 Y580 E581 | M575-D577 PolarHBondContact O-N 3.49Å; D577-Y579 VanDerWaalsContact C-N 3.29Å; D577-Y579 PolarHBondContact O-N 3.08Å; D577-Y580 PolarHBondContact O-N 3.01Å; D577-Y580 VanDerWaalsContact O-N 3.15Å; D577-E581 WeakPolarHBondContact O-CB 3.07Å; D577-E581 PolarHBondContact O-N 2.92Å |
| 578 | E | 97.4 | Very high | 95.8 | Very high | 62 Ų | 62 | 83.6 Ų | 83.6 | 29% | 0.29 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.5 | -33.2 | 172.6 | -68.6 | 80.9 | 179.5 | 0 | 0 | 112.7 | L548 L552 M575 Y582 | L548-E578 HydrophobicContact CD2-CB 3.95Å; L548-E578 HydrophobicContact CD2-CG 3.77Å; L552-E578 HydrophobicContact CD2-CB 3.61Å; L552-E578 HydrophobicContact CG-CB 4.09Å; M575-E578 WeakPolarHBondContact CA-OE2 3.33Å; M575-E578 HydrophobicContact CE-CB 4.01Å; M575-E578 HydrophobicContact CE-CG 3.71Å; M575-E578 PolarHBondContact O-N 2.8Å; E578-Y582 WeakPolarHBondContact O-CB 3.33Å; E578-Y582 PolarHBondContact O-N 2.67Å |
| 579 | Y | 96.9 | Very high | 96 | Very high | 57 Ų | 57 | 77.9 Ų | 77.9 | 22% | 0.224 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -71.4 | -36.9 | 173 | -80.2 | -64.5 | 0 | 0 | 0 | 112.2 | L552 E556 R572 M575 A576 D577 K583 | L552-Y579 HydrophobicContact CD1-CD1 3.75Å; L552-Y579 HydrophobicContact CD1-CE1 3.95Å; L552-Y579 HydrophobicContact CD1-CG 4.37Å; L552-Y579 HydrophobicContact CD2-CD1 3.78Å; L552-Y579 HydrophobicContact CD2-CD2 3.75Å; L552-Y579 HydrophobicContact CD2-CE1 3.78Å; L552-Y579 HydrophobicContact CD2-CE2 3.75Å; L552-Y579 HydrophobicContact CD2-CG 3.76Å; L552-Y579 HydrophobicContact CG-CD1 4.37Å; L552-Y579 HydrophobicContact CG-CE1 4.31Å; E556-Y579 PolarHBondContact OE1-OH 3.22Å; R572-Y579 HydrophobicContact CB-CD2 4.29Å; R572-Y579 HydrophobicContact CB-CE2 3.86Å; R572-Y579 HydrophobicContact CG-CE2 3.74Å; R572-Y579 PolarHBondContact NH1-OH 3.17Å; M575-Y579 HydrophobicContact CB-CD2 4.08Å; M575-Y579 HydrophobicContact CB-CE2 4.07Å; M575-Y579 WeakPolarHBondContact O-CD2 3.41Å; M575-Y579 PolarHBondContact O-N 2.99Å; M575-Y579 VanDerWaalsContact O-N 3.1Å; A576-Y579 PolarHBondContact O-N 3.07Å; D577-Y579 VanDerWaalsContact C-N 3.29Å; D577-Y579 PolarHBondContact O-N 3.08Å; Y579-K583 WeakPolarHBondContact O-CB 3.24Å; Y579-K583 PolarHBondContact O-N 3.1Å |
| 580 | Y | 97.1 | Very high | 96.2 | Very high | 150 Ų | 150 | 77.7 Ų | 77.7 | 59% | 0.588 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -66.9 | -46.5 | 172.8 | -76.7 | -60 | 0 | 0 | 0 | 111.4 | A576 D577 K583 H584 | A576-Y580 HydrophobicContact CB-CD2 4.45Å; A576-Y580 HydrophobicContact CB-CE2 4.28Å; A576-Y580 WeakPolarHBondContact O-CD2 3.34Å; A576-Y580 PolarHBondContact O-N 2.81Å; D577-Y580 PolarHBondContact O-N 3.01Å; D577-Y580 VanDerWaalsContact O-N 3.15Å; Y580-K583 CarbonylContact O-C 3.53Å; Y580-K583 WeakPolarHBondContact O-CA 3.36Å; Y580-K583 WeakPolarHBondContact O-CB 3.46Å; Y580-K583 PolarHBondContact O-N 3.09Å; Y580-H584 PolarHBondContact O-N 2.94Å |
| 581 | E | 96.7 | Very high | 96.3 | Very high | 87 Ų | 87 | 75.6 Ų | 75.6 | 41% | 0.407 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.4 | -41.8 | 178.2 | -76.7 | -51.6 | 113 | 0 | 0 | 112 | L548 D577 K583 H584 I585 | L548-E581 HydrophobicContact CD1-CB 3.7Å; D577-E581 WeakPolarHBondContact O-CB 3.07Å; D577-E581 PolarHBondContact O-N 2.92Å; E581-K583 PolarHBondContact O-N 3.33Å; E581-H584 CarbonylContact O-C 3.56Å; E581-H584 PolarHBondContact O-N 2.71Å; E581-I585 VanDerWaalsContact O-CB 3.31Å; E581-I585 WeakPolarHBondContact O-CB 3.46Å; E581-I585 PolarHBondContact O-N 2.99Å |
| 582 | Y | 97.8 | Very high | 96.4 | Very high | 56 Ų | 56 | 74 Ų | 74 | 22% | 0.22 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63 | -29.1 | 175.4 | -178 | -108.9 | 0 | 0 | 0 | 112.2 | K545 L548 R549 L552 E578 K586 | K545-Y582 HydrophobicContact CG-CE2 3.93Å; L548-Y582 HydrophobicContact CB-CD2 4.15Å; R549-Y582 HydrophobicContact CB-CE2 4.11Å; R549-Y582 PolarHBondContact NE-OH 3.41Å; R549-Y582 VanDerWaalsContact NE-OH 3.15Å; R549-Y582 PolarHBondContact NH2-OH 3.46Å; L552-Y582 HydrophobicContact CD1-CD1 4.21Å; L552-Y582 HydrophobicContact CD1-CG 4.03Å; E578-Y582 WeakPolarHBondContact O-CB 3.33Å; E578-Y582 PolarHBondContact O-N 2.67Å; Y582-K586 WeakPolarHBondContact O-CB 3.5Å; Y582-K586 PolarHBondContact O-N 3.17Å |
| 583 | K | 97.2 | Very high | 96.5 | Very high | 150 Ų | 150 | 73.6 Ų | 73.6 | 65% | 0.652 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -74.1 | -41.8 | 170.6 | 174.4 | -167.1 | 172.4 | -161.8 | 0 | 111.5 | Y579 Y580 E581 K586 A587 | Y579-K583 WeakPolarHBondContact O-CB 3.24Å; Y579-K583 PolarHBondContact O-N 3.1Å; Y580-K583 CarbonylContact O-C 3.53Å; Y580-K583 WeakPolarHBondContact O-CA 3.36Å; Y580-K583 WeakPolarHBondContact O-CB 3.46Å; Y580-K583 PolarHBondContact O-N 3.09Å; E581-K583 PolarHBondContact O-N 3.33Å; K583-K586 PolarHBondContact O-N 2.9Å; K583-A587 PolarHBondContact O-N 2.9Å |
| 584 | H | 96.6 | Very high | 96.5 | Very high | 85 Ų | 85 | 71.5 Ų | 71.5 | 39% | 0.394 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.3 | -53.4 | 178.3 | -169.3 | 105.7 | 0 | 0 | 0 | 111.8 | M523 Y580 E581 K586 A587 K588 | M523-H584 WeakPolarHBondContact CG-NE2 3.49Å; Y580-H584 PolarHBondContact O-N 2.94Å; E581-H584 CarbonylContact O-C 3.56Å; E581-H584 PolarHBondContact O-N 2.71Å; H584-K586 PolarHBondContact O-N 3.42Å; H584-A587 CarbonylContact O-C 3.57Å; H584-A587 VanDerWaalsContact O-CA 3.31Å; H584-A587 WeakPolarHBondContact O-CA 3.37Å; H584-A587 VanDerWaalsContact O-CB 3.29Å; H584-A587 WeakPolarHBondContact O-CB 3.41Å; H584-A587 PolarHBondContact O-N 2.91Å; H584-K588 PolarHBondContact O-N 3.01Å |
| 585 | I | 97.1 | Very high | 96.5 | Very high | 12 Ų | 12 | 67.6 Ų | 67.6 | 6% | 0.062 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.1 | -34.3 | 175 | -82.9 | 154 | 0 | 0 | 0 | 112.2 | T541 D544 K545 L548 E581 A587 K588 L589 | T541-I585 HydrophobicContact CG2-CB 4.38Å; T541-I585 HydrophobicContact CG2-CG1 4.36Å; T541-I585 HydrophobicContact CG2-CG2 3.87Å; D544-I585 HydrophobicContact CB-CD1 3.81Å; K545-I585 HydrophobicContact CB-CG2 3.7Å; L548-I585 HydrophobicContact CD1-CD1 3.45Å; L548-I585 VanDerWaalsContact CD1-CD1 3.45Å; E581-I585 VanDerWaalsContact O-CB 3.31Å; E581-I585 WeakPolarHBondContact O-CB 3.46Å; E581-I585 PolarHBondContact O-N 2.99Å; I585-A587 VanDerWaalsContact C-N 3.27Å; I585-A587 PolarHBondContact O-N 3.36Å; I585-K588 PolarHBondContact O-N 3.34Å; I585-L589 WeakPolarHBondContact O-CG 3.41Å; I585-L589 PolarHBondContact O-N 3.11Å |
| 586 | K | 97.4 | Very high | 96.4 | Very high | 106 Ų | 106 | 67.1 Ų | 67.1 | 46% | 0.461 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.9 | -22.6 | 172.6 | -175.2 | 177.3 | 177.5 | -175.9 | 0 | 113.2 | Y582 K583 H584 R590 | Y582-K586 WeakPolarHBondContact O-CB 3.5Å; Y582-K586 PolarHBondContact O-N 3.17Å; K583-K586 PolarHBondContact O-N 2.9Å; H584-K586 PolarHBondContact O-N 3.42Å; K586-R590 WeakPolarHBondContact O-CD 3.38Å; K586-R590 WeakPolarHBondContact O-CG 3.41Å |
| 587 | A | 96.9 | Very high | 96.3 | Very high | 49 Ų | 49 | 69.1 Ų | 69.1 | 41% | 0.405 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -82.6 | -45.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K583 H584 I585 L589 R590 L591 | K583-A587 PolarHBondContact O-N 2.9Å; H584-A587 CarbonylContact O-C 3.57Å; H584-A587 VanDerWaalsContact O-CA 3.31Å; H584-A587 WeakPolarHBondContact O-CA 3.37Å; H584-A587 VanDerWaalsContact O-CB 3.29Å; H584-A587 WeakPolarHBondContact O-CB 3.41Å; H584-A587 PolarHBondContact O-N 2.91Å; I585-A587 VanDerWaalsContact C-N 3.27Å; I585-A587 PolarHBondContact O-N 3.36Å; A587-L589 VanDerWaalsContact C-N 3.3Å; A587-L589 PolarHBondContact O-N 3.16Å; A587-R590 PolarHBondContact O-N 3.17Å; A587-L591 PolarHBondContact O-N 3.13Å |
| 588 | K | 95.9 | Very high | 96 | Very high | 31 Ų | 31 | 70.1 Ų | 70.1 | 14% | 0.135 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -52.4 | -45.4 | 175.5 | -172.3 | 166.5 | 177.5 | 173.3 | 0 | 111.8 | M523 L526 T541 H584 I585 R590 L591 L592 | M523-K588 HydrophobicContact CE-CB 4.33Å; M523-K588 HydrophobicContact SD-CB 3.54Å; M523-K588 VanDerWaalsContact SD-CB 3.54Å; M523-K588 HydrophobicContact SD-CD 4.03Å; M523-K588 HydrophobicContact SD-CG 3.61Å; L526-K588 HydrophobicContact CD1-CD 4.4Å; L526-K588 HydrophobicContact CD1-CG 3.97Å; T541-K588 HydrophobicContact CG2-CB 3.88Å; T541-K588 HydrophobicContact CG2-CD 4.08Å; T541-K588 HydrophobicContact CG2-CG 3.83Å; T541-K588 WeakPolarHBondContact OG1-CE 3.36Å; H584-K588 PolarHBondContact O-N 3.01Å; I585-K588 PolarHBondContact O-N 3.34Å; K588-R590 PolarHBondContact O-N 3.32Å; K588-L591 PolarHBondContact O-N 3.15Å; K588-L592 HydrophobicContact CG-CD1 3.95Å; K588-L592 VanDerWaalsContact O-CG 3.3Å; K588-L592 WeakPolarHBondContact O-CG 3.11Å; K588-L592 PolarHBondContact O-N 3.17Å |
| 589 | L | 96.9 | Very high | 95.4 | Very high | 3 Ų | 3 | 69.8 Ų | 69.8 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59 | -43.9 | 174.2 | -75.4 | -175.9 | 0 | 0 | 0 | 114.1 | L538 T541 R542 K545 I585 A587 L591 L592 E593 | L538-L589 HydrophobicContact CD1-CD2 3.81Å; T541-L589 HydrophobicContact CG2-CD2 3.53Å; T541-L589 HydrophobicContact CG2-CG 3.66Å; R542-L589 HydrophobicContact CG-CD1 4.41Å; R542-L589 HydrophobicContact CG-CD2 3.76Å; K545-L589 HydrophobicContact CB-CD1 4.49Å; K545-L589 HydrophobicContact CD-CD1 3.21Å; K545-L589 HydrophobicContact CG-CD1 4.5Å; I585-L589 WeakPolarHBondContact O-CG 3.41Å; I585-L589 PolarHBondContact O-N 3.11Å; A587-L589 VanDerWaalsContact C-N 3.3Å; A587-L589 PolarHBondContact O-N 3.16Å; L589-L591 VanDerWaalsContact C-N 3.29Å; L589-L591 PolarHBondContact O-N 3.13Å; L589-L592 PolarHBondContact O-N 3.18Å; L589-E593 VanDerWaalsContact O-CB 3.25Å; L589-E593 WeakPolarHBondContact O-CB 3.39Å; L589-E593 WeakPolarHBondContact O-CG 3.28Å; L589-E593 PolarHBondContact O-N 2.57Å |
| 590 | R | 97 | Very high | 94.6 | Very high | 162 Ų | 162 | 70.2 Ų | 70.2 | 61% | 0.611 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66.9 | -35.7 | -179.1 | -72.9 | 170 | 161.3 | -168.5 | -10.4 | 111.5 | K586 A587 K588 V594 | K586-R590 WeakPolarHBondContact O-CD 3.38Å; K586-R590 WeakPolarHBondContact O-CG 3.41Å; A587-R590 PolarHBondContact O-N 3.17Å; K588-R590 PolarHBondContact O-N 3.32Å; R590-V594 WeakPolarHBondContact O-CB 3.39Å; R590-V594 VanDerWaalsContact O-CG2 3.26Å; R590-V594 WeakPolarHBondContact O-CG2 3.38Å; R590-V594 PolarHBondContact O-N 3.13Å; R590-V594 VanDerWaalsContact O-N 3.09Å |
| 591 | L | 95.8 | Very high | 93.5 | Very high | 60 Ų | 60 | 67.3 Ų | 67.3 | 31% | 0.314 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.6 | -49 | 173.9 | 179.3 | 56.8 | 0 | 0 | 0 | 110.5 | M523 L526 A587 K588 L589 V594 L595 | M523-L591 HydrophobicContact CE-CB 4.39Å; M523-L591 HydrophobicContact CE-CD2 3.6Å; M523-L591 HydrophobicContact SD-CD2 4.28Å; L526-L591 HydrophobicContact CD1-CD2 4.09Å; A587-L591 PolarHBondContact O-N 3.13Å; K588-L591 PolarHBondContact O-N 3.15Å; L589-L591 VanDerWaalsContact C-N 3.29Å; L589-L591 PolarHBondContact O-N 3.13Å; L591-V594 PolarHBondContact O-N 3.47Å; L591-L595 HydrophobicContact CD1-CD1 3.88Å; L591-L595 HydrophobicContact CD1-CG 4.01Å; L591-L595 HydrophobicContact CG-CD1 3.8Å; L591-L595 HydrophobicContact CG-CG 4.38Å; L591-L595 WeakPolarHBondContact O-CB 3.16Å; L591-L595 VanDerWaalsContact O-CG 3.3Å; L591-L595 WeakPolarHBondContact O-CG 3.44Å; L591-L595 PolarHBondContact O-N 3.39Å |
| 592 | L | 96 | Very high | 92.2 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.7 | -46.7 | 176.1 | -69.2 | 166.1 | 0 | 0 | 0 | 112.4 | L526 L534 H537 L538 T541 K588 L589 V594 L595 I596 | L526-L592 HydrophobicContact CD1-CD2 4.25Å; L526-L592 HydrophobicContact CD1-CG 4.43Å; L526-L592 HydrophobicContact CD2-CD2 4.21Å; L534-L592 HydrophobicContact CD2-CD2 3.69Å; H537-L592 HydrophobicContact CB-CD1 4.11Å; H537-L592 HydrophobicContact CB-CD2 3.9Å; L538-L592 HydrophobicContact CD1-CB 4.1Å; T541-L592 HydrophobicContact CG2-CD1 4.42Å; K588-L592 HydrophobicContact CG-CD1 3.95Å; K588-L592 VanDerWaalsContact O-CG 3.3Å; K588-L592 WeakPolarHBondContact O-CG 3.11Å; K588-L592 PolarHBondContact O-N 3.17Å; L589-L592 PolarHBondContact O-N 3.18Å; L592-V594 VanDerWaalsContact C-N 3.28Å; L592-V594 PolarHBondContact O-N 2.97Å; L592-L595 PolarHBondContact O-N 2.7Å; L592-I596 WeakPolarHBondContact O-CB 3.34Å; L592-I596 WeakPolarHBondContact O-CD1 3.26Å; L592-I596 WeakPolarHBondContact O-CG1 3.15Å; L592-I596 PolarHBondContact O-N 3.07Å |
| 593 | E | 95.1 | Very high | 90.5 | Very high | 73 Ų | 73 | 70.4 Ų | 70.4 | 34% | 0.341 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.7 | -38.1 | 176.1 | -74.7 | 163.7 | 175 | 0 | 0 | 111.7 | L538 R542 L589 S597 | L538-E593 HydrophobicContact CD1-CG 4.04Å; R542-E593 IonicContact NH2-OE1 2.68Å; L589-E593 VanDerWaalsContact O-CB 3.25Å; L589-E593 WeakPolarHBondContact O-CB 3.39Å; L589-E593 WeakPolarHBondContact O-CG 3.28Å; L589-E593 PolarHBondContact O-N 2.57Å; E593-S597 WeakPolarHBondContact O-CB 3.45Å; E593-S597 PolarHBondContact O-N 2.97Å; E593-S597 PolarHBondContact O-OG 3.09Å |
| 594 | V | 96.1 | Very high | 88.6 | Confident | 78 Ų | 78 | 69 Ų | 69 | 47% | 0.473 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -75.9 | -39.9 | 175.3 | 168.6 | 0 | 0 | 0 | 0 | 113.1 | R590 L591 L592 S597 K598 | R590-V594 WeakPolarHBondContact O-CB 3.39Å; R590-V594 VanDerWaalsContact O-CG2 3.26Å; R590-V594 WeakPolarHBondContact O-CG2 3.38Å; R590-V594 PolarHBondContact O-N 3.13Å; R590-V594 VanDerWaalsContact O-N 3.09Å; L591-V594 PolarHBondContact O-N 3.47Å; L592-V594 VanDerWaalsContact C-N 3.28Å; L592-V594 PolarHBondContact O-N 2.97Å; V594-S597 PolarHBondContact O-N 2.83Å; V594-K598 HydrophobicContact CG1-CD 4.37Å; V594-K598 WeakPolarHBondContact O-CG 3.44Å; V594-K598 PolarHBondContact O-N 3.24Å; V594-K598 VanDerWaalsContact O-N 3.07Å |
| 595 | L | 94.2 | Very high | 86.2 | Confident | 22 Ų | 22 | 74.2 Ų | 74.2 | 12% | 0.115 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.8 | -44.8 | 179.1 | -73.1 | 168.8 | 0 | 0 | 0 | 111.3 | L526 H527 L534 L591 L592 K598 Q599 | L526-L595 HydrophobicContact CB-CD1 4.02Å; L526-L595 WeakPolarHBondContact O-CD1 3.45Å; H527-L595 HydrophobicContact CB-CD2 4.4Å; L534-L595 HydrophobicContact CD1-CB 4.15Å; L534-L595 HydrophobicContact CD2-CB 4.17Å; L534-L595 HydrophobicContact CD2-CD1 4.09Å; L591-L595 HydrophobicContact CD1-CD1 3.88Å; L591-L595 HydrophobicContact CD1-CG 4.01Å; L591-L595 HydrophobicContact CG-CD1 3.8Å; L591-L595 HydrophobicContact CG-CG 4.38Å; L591-L595 WeakPolarHBondContact O-CB 3.16Å; L591-L595 VanDerWaalsContact O-CG 3.3Å; L591-L595 WeakPolarHBondContact O-CG 3.44Å; L591-L595 PolarHBondContact O-N 3.39Å; L592-L595 PolarHBondContact O-N 2.7Å; L595-K598 PolarHBondContact O-N 3.42Å; L595-Q599 PolarHBondContact O-N 3.26Å |
| 596 | I | 93.6 | Very high | 85.7 | Confident | 17 Ų | 17 | 77.3 Ų | 77.3 | 9% | 0.087 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -58.5 | -52.4 | 173.8 | -74.2 | 164.7 | 0 | 0 | 0 | 110.3 | M531 L534 L535 L538 L592 K598 Q599 D600 | M531-I596 HydrophobicContact CE-CG2 4.12Å; M531-I596 HydrophobicContact SD-CG1 4.35Å; L534-I596 HydrophobicContact CB-CD1 4.14Å; L534-I596 HydrophobicContact CB-CG1 3.8Å; L534-I596 HydrophobicContact CD1-CG1 4.31Å; L535-I596 HydrophobicContact CD2-CD1 4.02Å; L538-I596 HydrophobicContact CB-CD1 4.03Å; L538-I596 HydrophobicContact CD2-CD1 3.62Å; L538-I596 HydrophobicContact CG-CD1 4.33Å; L592-I596 WeakPolarHBondContact O-CB 3.34Å; L592-I596 WeakPolarHBondContact O-CD1 3.26Å; L592-I596 WeakPolarHBondContact O-CG1 3.15Å; L592-I596 PolarHBondContact O-N 3.07Å; I596-K598 PolarHBondContact O-N 3.36Å; I596-K598 VanDerWaalsContact O-N 3.1Å; I596-Q599 PolarHBondContact O-N 2.93Å; I596-Q599 VanDerWaalsContact O-N 3.09Å; I596-D600 WeakPolarHBondContact CG2-OD2 3.39Å; I596-D600 PolarHBondContact O-N 3.14Å |
| 597 | S | 93.1 | Very high | 85 | Confident | 73 Ų | 73 | 75.8 Ų | 75.8 | 51% | 0.51 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -56.5 | -31.8 | 178.2 | -58.8 | 0 | 0 | 0 | 0 | 113.2 | E593 V594 V601 | E593-S597 WeakPolarHBondContact O-CB 3.45Å; E593-S597 PolarHBondContact O-N 2.97Å; E593-S597 PolarHBondContact O-OG 3.09Å; V594-S597 PolarHBondContact O-N 2.83Å; S597-V601 VanDerWaalsContact O-CG2 3.28Å; S597-V601 WeakPolarHBondContact O-CG2 3.39Å; S597-V601 PolarHBondContact O-N 2.95Å |
| 598 | K | 91 | Very high | 84.4 | Confident | 139 Ų | 139 | 77.3 Ų | 77.3 | 60% | 0.604 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -75 | -46.3 | 175.6 | -76.1 | 178.1 | 174.2 | -170.1 | 0 | 112.6 | V594 L595 I596 D600 V601 A602 | V594-K598 HydrophobicContact CG1-CD 4.37Å; V594-K598 WeakPolarHBondContact O-CG 3.44Å; V594-K598 PolarHBondContact O-N 3.24Å; V594-K598 VanDerWaalsContact O-N 3.07Å; L595-K598 PolarHBondContact O-N 3.42Å; I596-K598 PolarHBondContact O-N 3.36Å; I596-K598 VanDerWaalsContact O-N 3.1Å; K598-D600 VanDerWaalsContact C-N 3.29Å; K598-D600 PolarHBondContact O-N 2.94Å; K598-V601 PolarHBondContact O-N 3.26Å; K598-A602 WeakPolarHBondContact O-CB 3.47Å; K598-A602 PolarHBondContact O-N 3.21Å |
| 599 | Q | 85.6 | Confident | 83.7 | Confident | 55 Ų | 55 | 80 Ų | 80 | 26% | 0.257 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -69.6 | -26 | -179.9 | -73.8 | -172.6 | 16.1 | 0 | 0 | 112.3 | A529 M531 L595 I596 K603 | A529-Q599 PolarHBondContact O-NE2 3.44Å; A529-Q599 VanDerWaalsContact O-NE2 3.08Å; M531-Q599 HydrophobicContact CG-CB 3.87Å; M531-Q599 HydrophobicContact SD-CB 3.52Å; M531-Q599 VanDerWaalsContact SD-CB 3.52Å; M531-Q599 HydrophobicContact SD-CG 4.45Å; L595-Q599 PolarHBondContact O-N 3.26Å; I596-Q599 PolarHBondContact O-N 2.93Å; I596-Q599 VanDerWaalsContact O-N 3.09Å; Q599-K603 WeakPolarHBondContact O-CG 3.47Å |
| 600 | D | 78.8 | Confident | 82.9 | Confident | 67 Ų | 67 | 84.8 Ų | 84.8 | 36% | 0.358 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -74.7 | -42.1 | 172.5 | -69.1 | -34.1 | 0 | 0 | 0 | 112.3 | M531 I596 K598 A602 K603 T604 | M531-D600 WeakPolarHBondContact CE-OD1 3.45Å; I596-D600 WeakPolarHBondContact CG2-OD2 3.39Å; I596-D600 PolarHBondContact O-N 3.14Å; K598-D600 VanDerWaalsContact C-N 3.29Å; K598-D600 PolarHBondContact O-N 2.94Å; D600-A602 VanDerWaalsContact C-N 3.3Å; D600-A602 PolarHBondContact O-N 3.06Å; D600-K603 PolarHBondContact O-N 2.85Å; D600-T604 PolarHBondContact O-OG1 2.97Å |
| 601 | V | 73.6 | Confident | 81.9 | Confident | 88 Ų | 88 | 79.7 Ų | 79.7 | 53% | 0.533 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.2 | -39.9 | 172.2 | 169.4 | 0 | 0 | 0 | 0 | 111.2 | S597 K598 K603 T604 I605 | S597-V601 VanDerWaalsContact O-CG2 3.28Å; S597-V601 WeakPolarHBondContact O-CG2 3.39Å; S597-V601 PolarHBondContact O-N 2.95Å; K598-V601 PolarHBondContact O-N 3.26Å; V601-K603 PolarHBondContact O-N 3.28Å; V601-K603 VanDerWaalsContact O-N 3.11Å; V601-T604 PolarHBondContact O-N 2.85Å; V601-I605 HydrophobicContact CG1-CD1 4.15Å |
| 602 | A | 69.6 | Low | 80.9 | Confident | 72 Ų | 72 | 81.1 Ų | 81.1 | 60% | 0.595 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -2.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | K598 D600 | K598-A602 WeakPolarHBondContact O-CB 3.47Å; K598-A602 PolarHBondContact O-N 3.21Å; D600-A602 VanDerWaalsContact C-N 3.3Å; D600-A602 PolarHBondContact O-N 3.06Å |
| 603 | K | 62.1 | Low | 79.8 | Confident | 136 Ų | 136 | 87.3 Ų | 87.3 | 59% | 0.591 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | -3.6 | 170.4 | -65.4 | 167.2 | -179.5 | 179.1 | 0 | 113.5 | Q599 D600 V601 | Q599-K603 WeakPolarHBondContact O-CG 3.47Å; D600-K603 PolarHBondContact O-N 2.85Å; V601-K603 PolarHBondContact O-N 3.28Å; V601-K603 VanDerWaalsContact O-N 3.11Å |
| 604 | T | 57.2 | Low | 78.5 | Confident | 121 Ų | 121 | 88.5 Ų | 88.5 | 74% | 0.742 | 49% | 0.489 | S | S | * | . | trans | -107.8 | 12.7 | -175.6 | -43.9 | 0 | 0 | 0 | 0 | 111 | D600 V601 | D600-T604 PolarHBondContact O-OG1 2.97Å; V601-T604 PolarHBondContact O-N 2.85Å | ||
| 605 | I | 47.2 | Very low | 76.9 | Confident | 194 Ų | 194 | 89.5 Ų | 89.5 | 100% | 0.995 | 49% | 0.49 | S | S | * | . | trans | -129.7 | 0 | 178.7 | -55.6 | 173 | 0 | 0 | 0 | 106.7 | V601 | V601-I605 HydrophobicContact CG1-CD1 4.15Š|
Retrieved 605 of 605 residues in 78.2 ms
(Link to these results)