| 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 | 41.8 | Very low | 42.7 | Very low | 249 Ų | 249 | 139.2 Ų | 139.2 | 100% | 1.227 | 79% | 0.789 | S | S | * | * | 0 | 143.7 | 0 | -70.6 | 168.3 | 175.6 | 0 | 0 | 107.3 | |||||
| 2 | N | 36.5 | Very low | 41.9 | Very low | 164 Ų | 164 | 141.4 Ų | 141.4 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | trans | -104 | 146.5 | -167.8 | -75.3 | -25.3 | 0 | 0 | 0 | 113.3 | ||||
| 3 | A | 42.2 | Very low | 41.9 | Very low | 93 Ų | 93 | 139.5 Ų | 139.5 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -155.9 | 107.2 | 140.5 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 4 | Q | 42.1 | Very low | 41.5 | Very low | 171 Ų | 171 | 142.3 Ų | 142.3 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | 72.4 | 119 | 60.2 | -167 | 165.4 | 6.3 | 0 | 0 | 111.4 | |||||
| 5 | L | 48 | Very low | 41 | Very low | 139 Ų | 139 | 136.5 Ų | 136.5 | 73% | 0.728 | 76% | 0.764 | S | S | * | * | cis | 171.1 | 139.7 | -15.9 | -106.7 | 162.7 | 0 | 0 | 0 | 104.5 | ||||
| 6 | T | 48.1 | Very low | 40.6 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | trans | 65.4 | 159.6 | 142.4 | 58.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 7 | M | 43.7 | Very low | 40.3 | Very low | 133 Ų | 133 | 135.3 Ų | 135.3 | 66% | 0.655 | 77% | 0.77 | S | S | * | * | cis | -163.4 | 161.4 | -7.2 | -118.8 | 146.2 | 57.2 | 0 | 0 | 112.1 | ||||
| 8 | E | 43 | Very low | 40.1 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | 60.2 | 165.6 | 142.4 | -74.8 | 160.4 | 179.9 | 0 | 0 | 121.8 | ||||
| 9 | A | 41.8 | Very low | 39.9 | Very low | 79 Ų | 79 | 138.7 Ų | 138.7 | 65% | 0.653 | 77% | 0.771 | S | S | * | * | cis | -150.6 | 134.7 | -5.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 10 | I | 44.7 | Very low | 40.4 | Very low | 167 Ų | 167 | 137.5 Ų | 137.5 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | 49.7 | 143.6 | 90 | 41.8 | 167.1 | 0 | 0 | 0 | 121 | |||||
| 11 | G | 37.4 | Very low | 40.4 | Very low | 69 Ų | 69 | 137 Ų | 137 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | 135.7 | 101 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 12 | E | 33.7 | Very low | 41 | Very low | 166 Ų | 166 | 130.9 Ų | 130.9 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | cis | 73.1 | 139.6 | 37.3 | -82.4 | -158.8 | 113.6 | 0 | 0 | 115.4 | ||||
| 13 | L | 41.3 | Very low | 41.2 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 61% | 0.613 | 74% | 0.743 | S | S | * | * | cis | -166.1 | 160.6 | -5.5 | -172.5 | 68.8 | 0 | 0 | 0 | 111.4 | ||||
| 14 | H | 36.7 | Very low | 42.1 | Very low | 178 Ų | 178 | 129 Ų | 129 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | trans | 62.8 | 161.3 | 161.3 | -74 | 158 | 0 | 0 | 0 | 120.1 | ||||
| 15 | G | 33.8 | Very low | 41.8 | Very low | 55 Ų | 55 | 125.3 Ų | 125.3 | 57% | 0.567 | 74% | 0.744 | S | S | * | * | cis | 153.5 | 147.6 | -11.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 16 | V | 35.2 | Very low | 41.2 | Very low | 149 Ų | 149 | 125.7 Ų | 125.7 | 90% | 0.903 | 75% | 0.747 | S | S | * | * | trans | 58.4 | 154.2 | 168.4 | -57.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 17 | S | 34.9 | Very low | 40.7 | Very low | 104 Ų | 104 | 127 Ų | 127 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | cis | -168.9 | 167.5 | -22.9 | -94 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 18 | H | 36.4 | Very low | 40.4 | Very low | 190 Ų | 190 | 128.7 Ų | 128.7 | 88% | 0.88 | 76% | 0.76 | S | S | * | * | trans | 94 | 142.4 | 149.6 | -118.2 | -85.8 | 0 | 0 | 0 | 123.7 | ||||
| 19 | E | 37.7 | Very low | 39.9 | Very low | 146 Ų | 146 | 125.3 Ų | 125.3 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | trans | -83.4 | 169.9 | 167.1 | -118.7 | -150.1 | 86.7 | 0 | 0 | 111.6 | ||||
| 20 | P | 48.9 | Very low | 39.3 | Very low | 113 Ų | 113 | 125.2 Ų | 125.2 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | cis | -137.8 | 178.9 | 31.4 | 37.8 | -16 | 0 | 0 | 0 | 118 | ||||
| 21 | V | 39.8 | Very low | 38.9 | Very low | 129 Ų | 129 | 123.1 Ų | 123.1 | 78% | 0.782 | 77% | 0.774 | S | S | * | * | trans | -105.4 | 130.5 | -162.5 | 179.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 22 | P | 56 | Low | 39.9 | Very low | 119 Ų | 119 | 124.5 Ų | 124.5 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -117.6 | -176.1 | 170 | 40.9 | -31.1 | 0 | 0 | 0 | 115.1 | ||||
| 23 | A | 39.3 | Very low | 39.9 | Very low | 93 Ų | 93 | 125.2 Ų | 125.2 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -152.3 | -179.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 24 | P | 61.5 | Low | 39.7 | Very low | 124 Ų | 124 | 123.8 Ų | 123.8 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | cis | -138.8 | -155.1 | 3.3 | 45.1 | -25.6 | 0 | 0 | 0 | 115.1 | ||||
| 25 | A | 36.9 | Very low | 39.6 | Very low | 95 Ų | 95 | 126.4 Ų | 126.4 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | 81.7 | 158.4 | 166 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 26 | D | 34.3 | Very low | 39.5 | Very low | 146 Ų | 146 | 129.7 Ų | 129.7 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | cis | -170.6 | -174.1 | -39.6 | -152.6 | -63.2 | 0 | 0 | 0 | 107.3 | ||||
| 27 | L | 37.5 | Very low | 39.3 | Very low | 138 Ų | 138 | 127 Ų | 127 | 72% | 0.723 | 78% | 0.783 | S | S | * | * | trans | 91.1 | 99.8 | 160.2 | -52.5 | -178.7 | 0 | 0 | 0 | 122.2 | ||||
| 28 | L | 38.1 | Very low | 39.2 | Very low | 169 Ų | 169 | 128.8 Ų | 128.8 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | 65.9 | 130.9 | 121.7 | -60.4 | 178.2 | 0 | 0 | 0 | 124.1 | |||||
| 29 | G | 31.5 | Very low | 39.2 | Very low | 86 Ų | 86 | 123.1 Ų | 123.1 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | trans | 128.4 | 130.5 | 143.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 30 | G | 29.9 | Very low | 39.2 | Very low | 76 Ų | 76 | 125 Ų | 125 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | cis | 155.9 | 102.2 | -18.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 31 | S | 36.2 | Very low | 38.4 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | 66.4 | 175.6 | 157.5 | -101.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 32 | P | 57.8 | Low | 37.9 | Very low | 97 Ų | 97 | 128.6 Ų | 128.6 | 63% | 0.63 | 79% | 0.79 | S | S | * | * | cis | -135.5 | 176.3 | -25.2 | 36.7 | -19.6 | 0 | 0 | 0 | 114.7 | ||||
| 33 | H | 35.4 | Very low | 36.8 | Very low | 181 Ų | 181 | 128 Ų | 128 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | 163.6 | 116.9 | 137 | -81.8 | -58.6 | 0 | 0 | 0 | 107.3 | ||||
| 34 | A | 36.8 | Very low | 36.6 | Very low | 87 Ų | 87 | 130.7 Ų | 130.7 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | cis | 73.7 | 131.6 | 45.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 35 | R | 34.7 | Very low | 35.6 | Very low | 233 Ų | 233 | 131.6 Ų | 131.6 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | cis | -171.1 | 151.7 | 0.6 | -142.3 | 177 | 172 | -164.7 | -2.4 | 111.1 | ||||
| 36 | S | 29.9 | Very low | 36.3 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | -166.4 | 144 | 145.1 | -165.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 37 | S | 31.9 | Very low | 37.3 | Very low | 92 Ų | 92 | 131.2 Ų | 131.2 | 64% | 0.643 | 78% | 0.78 | S | S | * | * | trans | -173.2 | 128.4 | -172.6 | 56.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 38 | V | 33.6 | Very low | 37.1 | Very low | 142 Ų | 142 | 129.4 Ų | 129.4 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | -150.6 | 113.9 | 158.7 | 178.7 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 39 | A | 36.4 | Very low | 37.2 | Very low | 70 Ų | 70 | 130.3 Ų | 130.3 | 58% | 0.579 | 78% | 0.784 | S | S | * | * | cis | 86.2 | 136.5 | 49.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 40 | H | 36.3 | Very low | 38.1 | Very low | 185 Ų | 185 | 130.9 Ų | 130.9 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | cis | -129.1 | -145.4 | -9.5 | -74.4 | -66.4 | 0 | 0 | 0 | 108.1 | ||||
| 41 | R | 32.2 | Very low | 38.5 | Very low | 249 Ų | 249 | 138.2 Ų | 138.2 | 94% | 0.94 | 78% | 0.776 | S | S | * | * | cis | -163.9 | 148.7 | 1.3 | -157.6 | -178.2 | -173.4 | -172.8 | 2.5 | 110.2 | ||||
| 42 | G | 30.3 | Very low | 38.5 | Very low | 69 Ų | 69 | 136.6 Ų | 136.6 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | 155.2 | 132.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 43 | S | 32.5 | Very low | 37.6 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -152.8 | 157.6 | -161.3 | -63.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 44 | H | 35.3 | Very low | 37.5 | Very low | 149 Ų | 149 | 136 Ų | 136 | 69% | 0.69 | 78% | 0.776 | S | S | * | * | cis | -175.5 | 161.3 | -26.8 | 59.2 | 14.4 | 0 | 0 | 0 | 110.5 | ||||
| 45 | L | 39.3 | Very low | 37.6 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | 65.2 | 162.9 | 154 | -68.3 | 172.2 | 0 | 0 | 0 | 118.8 | ||||
| 46 | P | 51.8 | Low | 37.5 | Very low | 110 Ų | 110 | 134.1 Ų | 134.1 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | cis | -134.9 | -142.7 | -40 | 44.8 | -26.9 | 0 | 0 | 0 | 112.1 | ||||
| 47 | P | 55.4 | Low | 37.6 | Very low | 123 Ų | 123 | 133 Ų | 133 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | -132.9 | 169.2 | -127.2 | 36.4 | -12.4 | 0 | 0 | 0 | 118.1 | |||||
| 48 | A | 33 | Very low | 37.6 | Very low | 100 Ų | 100 | 135.6 Ų | 135.6 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | trans | -160.2 | 141.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 49 | H | 40.7 | Very low | 37.8 | Very low | 188 Ų | 188 | 136.4 Ų | 136.4 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | trans | -147.1 | 153.7 | 160.5 | -100.9 | -42.7 | 0 | 0 | 0 | 105.3 | ||||
| 50 | P | 51.3 | Low | 37.7 | Very low | 98 Ų | 98 | 141 Ų | 141 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | -158 | -162.2 | 55.7 | 42.9 | -20.2 | 0 | 0 | 0 | 116.6 | |||||
| 51 | R | 37.2 | Very low | 37.5 | Very low | 229 Ų | 229 | 134.9 Ų | 134.9 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | 72 | 169.6 | 154.8 | -74.2 | -178.9 | 166.5 | 125.1 | -1.4 | 119.2 | ||||
| 52 | S | 36.3 | Very low | 37.4 | Very low | 91 Ų | 91 | 126.5 Ų | 126.5 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | 177.8 | 140.3 | -66.2 | 54.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 53 | M | 38.8 | Very low | 37.4 | Very low | 195 Ų | 195 | 129.4 Ų | 129.4 | 96% | 0.961 | 78% | 0.781 | S | S | * | * | trans | 68.5 | 149.9 | 160.5 | -69.5 | -70.3 | -162.7 | 0 | 0 | 119.9 | ||||
| 54 | G | 33.8 | Very low | 37.4 | Very low | 71 Ų | 71 | 128.3 Ų | 128.3 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | trans | 106.3 | 141.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 55 | M | 39.3 | Very low | 37.1 | Very low | 181 Ų | 181 | 124.5 Ų | 124.5 | 89% | 0.892 | 79% | 0.787 | S | S | * | * | cis | 161 | 125.6 | -27.8 | -103.8 | -66 | -164.9 | 0 | 0 | 105.7 | ||||
| 56 | A | 32.3 | Very low | 36.8 | Very low | 99 Ų | 99 | 123.1 Ų | 123.1 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | 61.5 | 167.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 57 | S | 31.2 | Very low | 36 | Very low | 100 Ų | 100 | 123.7 Ų | 123.7 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | cis | -173.3 | 168.1 | -38.7 | -170 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 58 | L | 32.6 | Very low | 34.9 | Very low | 148 Ų | 148 | 127.9 Ų | 127.9 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | trans | 78.4 | 156.3 | 162.5 | -47.8 | 178.4 | 0 | 0 | 0 | 119.7 | ||||
| 59 | L | 37.5 | Very low | 35 | Very low | 158 Ų | 158 | 131 Ų | 131 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | trans | 72.4 | 119.4 | 165.8 | -49.4 | -169.8 | 0 | 0 | 0 | 114.9 | ||||
| 60 | D | 35.5 | Very low | 34.6 | Very low | 166 Ų | 166 | 128.7 Ų | 128.7 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | 75.6 | 133.8 | 82.4 | -160.2 | 73.1 | 0 | 0 | 0 | 111.4 | |||||
| 61 | G | 31 | Very low | 33.8 | Very low | 58 Ų | 58 | 133 Ų | 133 | 60% | 0.598 | 79% | 0.785 | S | S | * | * | cis | 175.5 | 178.2 | 1.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 62 | G | 30.2 | Very low | 33.6 | Very low | 73 Ų | 73 | 129.3 Ų | 129.3 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | 78 | 104.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 63 | S | 31.7 | Very low | 33.2 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | 25 | 119.4 | 125.1 | -49.1 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 64 | G | 30.8 | Very low | 33 | Very low | 84 Ų | 84 | 130.4 Ų | 130.4 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | trans | 89.6 | 151.6 | 156.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 65 | G | 29.3 | Very low | 33.7 | Very low | 70 Ų | 70 | 132 Ų | 132 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | cis | 134.4 | 128.2 | -4.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 66 | S | 34 | Very low | 33.3 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | trans | 65.4 | 154.4 | 173 | -74.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 67 | D | 33.5 | Very low | 33.4 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 65% | 0.652 | 76% | 0.759 | S | S | * | * | cis | -162.6 | 162 | -22 | -124 | -75.8 | 0 | 0 | 0 | 109.9 | ||||
| 68 | Y | 32.3 | Very low | 33.3 | Very low | 210 Ų | 210 | 134.1 Ų | 134.1 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -151.6 | 114.4 | 161.7 | -75 | -62 | 0 | 0 | 0 | 112.5 | ||
| 69 | H | 36 | Very low | 33.3 | Very low | 165 Ų | 165 | 135 Ų | 135 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | trans | 56.2 | 103.5 | 159.1 | -62.8 | 89.7 | 0 | 0 | 0 | 117.8 | ||||
| 70 | H | 31.4 | Very low | 33.1 | Very low | 141 Ų | 141 | 132.6 Ų | 132.6 | 65% | 0.653 | 77% | 0.766 | S | S | * | * | cis | 82.2 | 96.4 | 18.5 | -143.9 | 63.8 | 0 | 0 | 0 | 116.1 | H72 | H70-H72 AromaticContact CD2-CD2 3.85Å; H70-H72 AromaticContact CE1-CD2 3.32Å; H70-H72 PolarHBondContact CE1-CD2 3.08Å; H70-H72 AromaticContact ND1-CD2 3.78Å; H70-H72 AromaticContact NE2-CD2 3.34Å; H70-H72 PolarHBondContact NE2-CD2 3.34Å; H70-H72 VanDerWaalsContact NE2-CD2 3.34Å | ||
| 71 | H | 36.2 | Very low | 32.9 | Very low | 187 Ų | 187 | 128.3 Ų | 128.3 | 87% | 0.866 | 76% | 0.761 | S | S | * | * | trans | -173.7 | 80.5 | 154.4 | -96.5 | -60.6 | 0 | 0 | 0 | 108.7 | ||||
| 72 | H | 32 | Very low | 33.7 | Very low | 152 Ų | 152 | 131.2 Ų | 131.2 | 70% | 0.704 | 77% | 0.769 | S | S | * | * | 56.8 | 109.4 | 82.5 | -89.3 | -57.3 | 0 | 0 | 0 | 118 | H70 | H70-H72 AromaticContact CD2-CD2 3.85Å; H70-H72 AromaticContact CE1-CD2 3.32Å; H70-H72 PolarHBondContact CE1-CD2 3.08Å; H70-H72 AromaticContact ND1-CD2 3.78Å; H70-H72 AromaticContact NE2-CD2 3.34Å; H70-H72 PolarHBondContact NE2-CD2 3.34Å; H70-H72 VanDerWaalsContact NE2-CD2 3.34Å | |||
| 73 | R | 27.9 | Very low | 33.7 | Very low | 248 Ų | 248 | 135.7 Ų | 135.7 | 94% | 0.936 | 78% | 0.775 | S | S | * | * | -141.6 | 139.4 | 122.8 | -167 | 165.1 | -177.5 | 152.2 | 0.9 | 109.8 | |||||
| 74 | A | 33.7 | Very low | 33.8 | Very low | 62 Ų | 62 | 137.8 Ų | 137.8 | 51% | 0.512 | 77% | 0.77 | S | S | . | * | trans | -129.6 | -171.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 75 | P | 50.2 | Low | 34.5 | Very low | 104 Ų | 104 | 138.5 Ų | 138.5 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | cis | -132.8 | 174 | 1.4 | 42.7 | -26.6 | 0 | 0 | 0 | 115.7 | ||||
| 76 | E | 30.3 | Very low | 34.5 | Very low | 172 Ų | 172 | 140.9 Ų | 140.9 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | -158 | 160.3 | 122.9 | -102.7 | -69.7 | 47.8 | 0 | 0 | 110.3 | |||||
| 77 | H | 33.5 | Very low | 34.5 | Very low | 155 Ų | 155 | 142.7 Ų | 142.7 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | trans | -95.2 | 164.9 | -171.2 | -70.4 | -94.7 | 0 | 0 | 0 | 113.4 | ||||
| 78 | S | 29.9 | Very low | 34.9 | Very low | 98 Ų | 98 | 143.6 Ų | 143.6 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | cis | -164.9 | 167.7 | -22.9 | -94.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 79 | L | 33.3 | Very low | 35.4 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | -15.6 | 138.9 | 169.1 | -65.1 | 164.5 | 0 | 0 | 0 | 121 | ||||
| 80 | A | 31.7 | Very low | 35.4 | Very low | 107 Ų | 107 | 137 Ų | 137 | 88% | 0.884 | 76% | 0.76 | S | S | * | * | trans | 59.4 | 111.8 | 139 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 81 | G | 32.2 | Very low | 35.6 | Very low | 76 Ų | 76 | 135.5 Ų | 135.5 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | trans | -158.2 | 159 | 166 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 82 | P | 47 | Very low | 35.5 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | -97.6 | 177.7 | -172.8 | 36.9 | -34.4 | 0 | 0 | 0 | 115.1 | ||||
| 83 | L | 31.1 | Very low | 35.7 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | trans | 106.5 | 155.5 | 158.6 | -56.7 | 171.6 | 0 | 0 | 0 | 119.6 | ||||
| 84 | H | 32.7 | Very low | 36.7 | Very low | 174 Ų | 174 | 126.2 Ų | 126.2 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | trans | -59.7 | -179 | 173.9 | -82 | -115.3 | 0 | 0 | 0 | 114.9 | ||||
| 85 | P | 45.8 | Very low | 37.2 | Very low | 99 Ų | 99 | 129.4 Ų | 129.4 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | cis | -137.5 | -169.5 | -33.2 | 36 | -17.5 | 0 | 0 | 0 | 112.9 | ||||
| 86 | T | 29.8 | Very low | 36.6 | Very low | 121 Ų | 121 | 127.9 Ų | 127.9 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | trans | 69 | 162.2 | 148.6 | -139.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 87 | M | 34.5 | Very low | 37.1 | Very low | 151 Ų | 151 | 128.7 Ų | 128.7 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | cis | -126.7 | 166.7 | -1.3 | -48.7 | -168.8 | 77.9 | 0 | 0 | 111.3 | ||||
| 88 | T | 40.5 | Very low | 37.2 | Very low | 141 Ų | 141 | 127 Ų | 127 | 87% | 0.865 | 78% | 0.781 | S | S | * | * | trans | -133.9 | 128.9 | 159.4 | -46.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 89 | M | 43.3 | Very low | 38 | Very low | 158 Ų | 158 | 130.9 Ų | 130.9 | 78% | 0.778 | 79% | 0.79 | S | S | * | * | trans | -68.3 | 138 | 178 | -53.9 | -64.8 | -93.1 | 0 | 0 | 109.4 | ||||
| 90 | A | 36.4 | Very low | 38.6 | Very low | 78 Ų | 78 | 128.4 Ų | 128.4 | 65% | 0.645 | 78% | 0.784 | S | S | * | * | 63.3 | 130.6 | 53.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 91 | C | 36 | Very low | 38.9 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | cis | -159.5 | 163.7 | -4.8 | -99.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 92 | E | 34.3 | Very low | 39 | Very low | 154 Ų | 154 | 132.4 Ų | 132.4 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | cis | -173.6 | 162 | -14.2 | 171.1 | 170.4 | 153.8 | 0 | 0 | 108.8 | ||||
| 93 | T | 36.8 | Very low | 38.6 | Very low | 138 Ų | 138 | 137 Ų | 137 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | trans | -160.7 | 150.7 | 152.9 | 0.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 94 | P | 47 | Very low | 39.1 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | trans | -122 | -166.1 | -161.6 | 41.4 | -25.4 | 0 | 0 | 0 | 113.5 | ||||
| 95 | P | 45.7 | Very low | 39.5 | Very low | 129 Ų | 129 | 131.9 Ų | 131.9 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | -128.6 | 162.6 | -59.5 | 36.8 | -23 | 0 | 0 | 0 | 112.7 | |||||
| 96 | G | 36.3 | Very low | 39.5 | Very low | 72 Ų | 72 | 135.1 Ų | 135.1 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | 176 | 119.1 | 167 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 97 | M | 41.3 | Very low | 40.4 | Very low | 189 Ų | 189 | 135.3 Ų | 135.3 | 93% | 0.931 | 79% | 0.787 | S | S | * | * | trans | 57.2 | 89.9 | 166.3 | -57.7 | -57.9 | 166.7 | 0 | 0 | 117.2 | ||||
| 98 | S | 35.2 | Very low | 41.2 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | -76.1 | 149 | 164.5 | 46.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 99 | M | 47.6 | Very low | 41.5 | Very low | 179 Ų | 179 | 135.1 Ų | 135.1 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | trans | -107.1 | 125.5 | 171.1 | -74.5 | -77.7 | -172.8 | 0 | 0 | 109.9 | ||||
| 100 | P | 45.2 | Very low | 42.3 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | trans | -90.3 | 112.9 | 169.3 | 32.2 | -28.8 | 0 | 0 | 0 | 111.1 | ||||
| 101 | T | 38 | Very low | 43 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | trans | -83.7 | 117.2 | 164.6 | -60.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 102 | T | 35.3 | Very low | 43.4 | Very low | 130 Ų | 130 | 141.1 Ų | 141.1 | 80% | 0.798 | 81% | 0.806 | S | S | * | * | trans | -121.5 | 153.6 | 173.7 | -55.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 103 | Y | 38.2 | Very low | 43.9 | Very low | 216 Ų | 216 | 139.1 Ų | 139.1 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | trans | -78.8 | 170.2 | -157.7 | -116.3 | -119.8 | 0 | 0 | 0 | 116.7 | ||||
| 104 | T | 40.6 | Very low | 44.5 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 64% | 0.644 | 81% | 0.805 | S | S | * | * | trans | -64.8 | 146.1 | 178.3 | -174.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 105 | T | 42.8 | Very low | 44.6 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | -134.1 | 144 | 153.6 | 64.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 106 | L | 44.9 | Very low | 44 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | trans | -105.7 | 113.7 | -179.9 | -71.9 | 173.6 | 0 | 0 | 0 | 110.3 | ||||
| 107 | T | 49.8 | Very low | 44.2 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 77% | 0.767 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -87 | 126.7 | 173.1 | -45.3 | 0 | 0 | 0 | 0 | 110 | ||
| 108 | P | 51.4 | Low | 44 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 138.2 | 177.5 | 28.4 | -34.1 | 0 | 0 | 0 | 111.6 | ||
| 109 | L | 46.7 | Very low | 44 | Very low | 175 Ų | 175 | 140.5 Ų | 140.5 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 126 | 176.5 | -74 | 164.4 | 0 | 0 | 0 | 110.8 | ||
| 110 | Q | 59.6 | Low | 43.4 | Very low | 182 Ų | 182 | 138.4 Ų | 138.4 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 142.8 | 167.5 | -75.4 | -173.3 | -42 | 0 | 0 | 111.1 | ||
| 111 | P | 50.4 | Low | 42.9 | Very low | 124 Ų | 124 | 142 Ų | 142 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 135.7 | 171.2 | 30.6 | -33.5 | 0 | 0 | 0 | 110.9 | ||
| 112 | L | 45.1 | Very low | 42.9 | Very low | 166 Ų | 166 | 144.5 Ų | 144.5 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 140 | 174.2 | -72.3 | 164.3 | 0 | 0 | 0 | 110.9 | ||
| 113 | P | 43.5 | Very low | 43.6 | Very low | 111 Ų | 111 | 143.8 Ų | 143.8 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 152.8 | 174.1 | 30.6 | -34.9 | 0 | 0 | 0 | 112 | ||
| 114 | P | 49.4 | Very low | 43.5 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 155.3 | -179.1 | 31 | -35.6 | 0 | 0 | 0 | 113.3 | ||
| 115 | I | 49.5 | Very low | 43.2 | Very low | 166 Ų | 166 | 144.9 Ų | 144.9 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 132.8 | -177 | -62.5 | 166.1 | 0 | 0 | 0 | 111.5 | ||
| 116 | S | 32.7 | Very low | 42.9 | Very low | 101 Ų | 101 | 145.1 Ų | 145.1 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | -166 | 129.7 | 149.8 | -88.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 117 | T | 40.6 | Very low | 42.5 | Very low | 128 Ų | 128 | 144.2 Ų | 144.2 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | 69.3 | 159.3 | 146.5 | 60.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 118 | V | 37.4 | Very low | 41.9 | Very low | 140 Ų | 140 | 146.1 Ų | 146.1 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | 60.6 | 129.7 | -177.8 | -46.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 119 | S | 35.8 | Very low | 41.1 | Very low | 115 Ų | 115 | 147.1 Ų | 147.1 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | cis | 105.6 | 121.8 | 12.4 | -165.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 120 | D | 35.6 | Very low | 40.6 | Very low | 134 Ų | 134 | 147.8 Ų | 147.8 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | trans | 54.9 | 116.9 | 162.9 | -150.4 | -95.7 | 0 | 0 | 0 | 121.4 | ||||
| 121 | K | 34.2 | Very low | 39.6 | Very low | 192 Ų | 192 | 144.8 Ų | 144.8 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | -178.4 | 142.2 | 118.1 | -100.3 | 174.4 | -178.2 | 177.6 | 0 | 114.5 | |||||
| 122 | F | 37.9 | Very low | 38.9 | Very low | 188 Ų | 188 | 147.6 Ų | 147.6 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | -92.4 | 166.2 | 164.8 | -87.7 | -90.4 | 0 | 0 | 0 | 111.4 | ||||
| 123 | P | 49.1 | Very low | 38.4 | Very low | 116 Ų | 116 | 145.5 Ų | 145.5 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | -146.5 | 134.7 | 101.5 | 35.3 | -18.5 | 0 | 0 | 0 | 117.3 | |||||
| 124 | H | 37.1 | Very low | 38.2 | Very low | 160 Ų | 160 | 147.4 Ų | 147.4 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | trans | 36.2 | 131.6 | 136.8 | -72.1 | 80.8 | 0 | 0 | 0 | 123.1 | ||||
| 125 | H | 34.8 | Very low | 38.4 | Very low | 184 Ų | 184 | 145.5 Ų | 145.5 | 85% | 0.852 | 74% | 0.739 | S | S | * | * | -176.9 | 157.2 | 116.1 | -97.3 | 80.1 | 0 | 0 | 0 | 109.7 | |||||
| 126 | H | 35.8 | Very low | 37.8 | Very low | 133 Ų | 133 | 145.8 Ų | 145.8 | 62% | 0.616 | 74% | 0.736 | S | S | * | * | cis | -165.5 | 126 | -39.6 | -170.8 | 90.2 | 0 | 0 | 0 | 109.9 | ||||
| 127 | H | 36.7 | Very low | 37.9 | Very low | 146 Ų | 146 | 147.7 Ų | 147.7 | 68% | 0.676 | 73% | 0.733 | S | S | * | * | trans | 62.2 | 165.7 | 168.3 | -82.1 | 27.7 | 0 | 0 | 0 | 117.5 | ||||
| 128 | H | 35.9 | Very low | 37.6 | Very low | 165 Ų | 165 | 148.3 Ų | 148.3 | 76% | 0.764 | 73% | 0.727 | S | S | * | * | cis | -134.2 | -177.2 | 2.7 | -152.7 | 29.7 | 0 | 0 | 0 | 112.8 | ||||
| 129 | H | 35 | Very low | 37.6 | Very low | 136 Ų | 136 | 147.4 Ų | 147.4 | 63% | 0.63 | 71% | 0.713 | S | S | * | * | trans | -135.1 | 137.5 | -159.7 | -168.4 | 88.2 | 0 | 0 | 0 | 112.3 | ||||
| 130 | H | 37.2 | Very low | 37.6 | Very low | 188 Ų | 188 | 151.6 Ų | 151.6 | 87% | 0.87 | 71% | 0.712 | S | S | * | * | trans | -153.4 | 147 | 153.3 | -119.4 | 58.5 | 0 | 0 | 0 | 112.8 | ||||
| 131 | H | 37.5 | Very low | 37.6 | Very low | 119 Ų | 119 | 151.9 Ų | 151.9 | 55% | 0.551 | 71% | 0.713 | S | S | * | * | trans | -159.2 | 136.9 | -158.2 | -169.8 | 41.9 | 0 | 0 | 0 | 109.3 | H133 | H131-H133 AromaticContact CE1-CD2 3.45Å; H131-H133 PolarHBondContact CE1-CD2 3.35Å; H131-H133 VanDerWaalsContact CE1-CD2 3.45Å; H131-H133 AromaticContact CE1-NE2 3.29Å; H131-H133 PolarHBondContact CE1-NE2 3.23Å; H131-H133 VanDerWaalsContact CE1-NE2 3.29Å; H131-H133 AromaticContact ND1-CD2 3.85Å; H131-H133 AromaticContact ND1-NE2 4Å; H131-H133 AromaticContact NE2-NE2 3.99Å | ||
| 132 | H | 36.8 | Very low | 37.6 | Very low | 183 Ų | 183 | 147.5 Ų | 147.5 | 85% | 0.847 | 71% | 0.712 | S | S | * | * | trans | -154.5 | 150.1 | 171.4 | -123.7 | 65.5 | 0 | 0 | 0 | 114 | ||||
| 133 | H | 34.6 | Very low | 37.5 | Very low | 122 Ų | 122 | 142 Ų | 142 | 57% | 0.565 | 71% | 0.708 | S | S | * | * | trans | -152.9 | 168.4 | -159.3 | -98.6 | -112.9 | 0 | 0 | 0 | 109.5 | H131 | H131-H133 AromaticContact CE1-CD2 3.45Å; H131-H133 PolarHBondContact CE1-CD2 3.35Å; H131-H133 VanDerWaalsContact CE1-CD2 3.45Å; H131-H133 AromaticContact CE1-NE2 3.29Å; H131-H133 PolarHBondContact CE1-NE2 3.23Å; H131-H133 VanDerWaalsContact CE1-NE2 3.29Å; H131-H133 AromaticContact ND1-CD2 3.85Å; H131-H133 AromaticContact ND1-NE2 4Å; H131-H133 AromaticContact NE2-NE2 3.99Å | ||
| 134 | H | 39.2 | Very low | 36.9 | Very low | 152 Ų | 152 | 144.2 Ų | 144.2 | 70% | 0.704 | 71% | 0.714 | S | S | * | * | cis | -141.6 | -64.1 | 9.6 | -151.5 | -23 | 0 | 0 | 0 | 118.8 | ||||
| 135 | P | 52.5 | Low | 36.8 | Very low | 88 Ų | 88 | 143.7 Ų | 143.7 | 57% | 0.571 | 72% | 0.722 | S | S | * | * | trans | -139 | 164 | -130.3 | 44.1 | -28.6 | 0 | 0 | 0 | 120.5 | ||||
| 136 | H | 36.8 | Very low | 36.9 | Very low | 172 Ų | 172 | 140.7 Ų | 140.7 | 80% | 0.796 | 72% | 0.721 | S | S | * | * | trans | 71.5 | 153 | 155.9 | -57.8 | -44.3 | 0 | 0 | 0 | 117.9 | ||||
| 137 | H | 35.2 | Very low | 36.8 | Very low | 141 Ų | 141 | 137.5 Ų | 137.5 | 65% | 0.653 | 73% | 0.725 | S | S | * | * | cis | -154.2 | 141.6 | 1.6 | -150.1 | -113.2 | 0 | 0 | 0 | 113.4 | ||||
| 138 | H | 35.3 | Very low | 36.6 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 65% | 0.653 | 73% | 0.732 | S | S | * | * | trans | 64.2 | 159.1 | 156.3 | -93 | 38.4 | 0 | 0 | 0 | 119.1 | ||||
| 139 | Q | 36 | Very low | 36.6 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 56% | 0.561 | 73% | 0.732 | S | S | * | * | cis | -153 | 119.8 | 13.7 | 179.8 | 84.4 | 106.5 | 0 | 0 | 114 | ||||
| 140 | R | 36.1 | Very low | 36.8 | Very low | 203 Ų | 203 | 136.6 Ų | 136.6 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | trans | 61.8 | 157.4 | 152.7 | -66.2 | 172.2 | -172.6 | -102.2 | 1.2 | 119.5 | ||||
| 141 | L | 35.1 | Very low | 37.2 | Very low | 141 Ų | 141 | 134.6 Ų | 134.6 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | cis | -148.9 | 145.7 | 3.9 | -156.8 | 75.8 | 0 | 0 | 0 | 113.5 | ||||
| 142 | A | 35.9 | Very low | 37.6 | Very low | 99 Ų | 99 | 138.2 Ų | 138.2 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | 54.7 | 136.7 | 151.1 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 143 | G | 34.7 | Very low | 37.6 | Very low | 73 Ų | 73 | 140.1 Ų | 140.1 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | trans | 153 | 97.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 144 | N | 37.7 | Very low | 37.5 | Very low | 162 Ų | 162 | 141 Ų | 141 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | trans | -95 | 140.7 | -168.9 | -61.9 | 19 | 0 | 0 | 0 | 114.2 | ||||
| 145 | V | 33.9 | Very low | 37.5 | Very low | 149 Ų | 149 | 140.8 Ų | 140.8 | 90% | 0.903 | 76% | 0.764 | S | S | * | * | trans | -157 | 139.1 | 132.1 | 124.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 146 | S | 36.2 | Very low | 36.6 | Very low | 121 Ų | 121 | 148.6 Ų | 148.6 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -122.5 | 163.5 | 170.9 | -170.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 147 | G | 35.3 | Very low | 36.5 | Very low | 67 Ų | 67 | 144.2 Ų | 144.2 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | trans | -138.5 | -179.9 | -168.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 148 | S | 32.4 | Very low | 36.6 | Very low | 119 Ų | 119 | 146.1 Ų | 146.1 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | 106 | 111.7 | 165 | -148.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 149 | F | 36 | Very low | 36.5 | Very low | 171 Ų | 171 | 144 Ų | 144 | 75% | 0.75 | 81% | 0.805 | S | S | * | * | trans | 63.2 | 118 | 137.7 | -142.3 | -92.3 | 0 | 0 | 0 | 121.7 | ||||
| 150 | T | 39.1 | Very low | 36.4 | Very low | 137 Ų | 137 | 143.2 Ų | 143.2 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | -160.3 | 152.8 | 135.5 | 1.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 151 | L | 44.6 | Very low | 36.2 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 76% | 0.764 | 82% | 0.816 | S | S | * | * | trans | -95.9 | 143.1 | 170 | -73 | 163 | 0 | 0 | 0 | 109.2 | ||||
| 152 | M | 46.8 | Very low | 35.9 | Very low | 196 Ų | 196 | 141.2 Ų | 141.2 | 97% | 0.966 | 81% | 0.814 | S | S | * | * | trans | -131.1 | 122.3 | 165.4 | -82.6 | -76.3 | -173.8 | 0 | 0 | 108.6 | ||||
| 153 | R | 35.8 | Very low | 35.5 | Very low | 223 Ų | 223 | 142.3 Ų | 142.3 | 84% | 0.842 | 81% | 0.806 | S | S | * | * | trans | -144.1 | 105.5 | 174.7 | 175.2 | -169.8 | 175.5 | 168.6 | 1.2 | 108.4 | ||||
| 154 | D | 33.4 | Very low | 35.4 | Very low | 141 Ų | 141 | 146.1 Ų | 146.1 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | trans | -168.3 | 131.3 | 149.7 | -113.9 | -151.2 | 0 | 0 | 0 | 104.9 | ||||
| 155 | E | 37.8 | Very low | 35 | Very low | 147 Ų | 147 | 148.5 Ų | 148.5 | 69% | 0.687 | 81% | 0.807 | S | S | * | * | 67.6 | 90.3 | 60.1 | -62.5 | -61.8 | 155.5 | 0 | 0 | 113.4 | |||||
| 156 | R | 34.2 | Very low | 35.2 | Very low | 251 Ų | 251 | 147.7 Ų | 147.7 | 95% | 0.947 | 80% | 0.802 | S | S | * | * | trans | 164.1 | 116.8 | 141 | -88.7 | 155.2 | 73.5 | 96.8 | 1.2 | 111.4 | ||||
| 157 | G | 35.4 | Very low | 35.4 | Very low | 80 Ų | 80 | 147 Ų | 147 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | 168.2 | 92.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 158 | L | 36.3 | Very low | 35.2 | Very low | 181 Ų | 181 | 155.2 Ų | 155.2 | 95% | 0.948 | 81% | 0.807 | S | S | * | * | trans | -89.9 | 121.3 | -172.8 | -78.2 | 157.8 | 0 | 0 | 0 | 113.5 | ||||
| 159 | A | 34.3 | Very low | 35.2 | Very low | 97 Ų | 97 | 157.2 Ų | 157.2 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | -177 | 127.5 | 139.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 160 | S | 32.6 | Very low | 35.2 | Very low | 104 Ų | 104 | 157.7 Ų | 157.7 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | cis | 114.9 | 108.7 | 13.5 | -168.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 161 | M | 31.6 | Very low | 34.9 | Very low | 172 Ų | 172 | 156.3 Ų | 156.3 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | trans | 69.9 | 123.2 | 160.2 | -56.8 | -53.4 | 169.7 | 0 | 0 | 123.3 | ||||
| 162 | N | 29.6 | Very low | 34.5 | Very low | 129 Ų | 129 | 156.9 Ų | 156.9 | 69% | 0.69 | 80% | 0.801 | S | S | * | * | trans | -42 | 175.4 | 149 | -174.2 | 35.1 | 0 | 0 | 0 | 116.8 | ||||
| 163 | N | 27.7 | Very low | 34 | Very low | 122 Ų | 122 | 152.8 Ų | 152.8 | 65% | 0.652 | 80% | 0.799 | S | S | * | * | trans | 90.3 | 125.2 | 179 | -53.7 | -50 | 0 | 0 | 0 | 114 | ||||
| 164 | L | 33.4 | Very low | 33.8 | Very low | 153 Ų | 153 | 145.1 Ų | 145.1 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | 60.8 | 93.1 | 65.7 | -81.9 | 77.2 | 0 | 0 | 0 | 113.1 | |||||
| 165 | Y | 28.4 | Very low | 34.1 | Very low | 212 Ų | 212 | 147.8 Ų | 147.8 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | -177.3 | 150 | 110.5 | -149.5 | -107 | 0 | 0 | 0 | 110.9 | |||||
| 166 | T | 39 | Very low | 34 | Very low | 132 Ų | 132 | 143.9 Ų | 143.9 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | -110.1 | 119.8 | 168.9 | -56.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 167 | P | 39.8 | Very low | 34.1 | Very low | 108 Ų | 108 | 140.9 Ų | 140.9 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | -108.7 | 160.8 | 163.6 | 34.8 | -25.9 | 0 | 0 | 0 | 113.1 | ||||
| 168 | Y | 30.7 | Very low | 33.9 | Very low | 238 Ų | 238 | 141.2 Ų | 141.2 | 93% | 0.933 | 79% | 0.785 | S | S | * | * | trans | -67.6 | 156.2 | -166.3 | -117.4 | -111.7 | 0 | 0 | 0 | 116.5 | ||||
| 169 | H | 33.5 | Very low | 33.8 | Very low | 161 Ų | 161 | 140.2 Ų | 140.2 | 75% | 0.745 | 78% | 0.78 | S | S | * | * | trans | -90.4 | 127.4 | 168.1 | 164.4 | -63.6 | 0 | 0 | 0 | 110.7 | ||||
| 170 | K | 34.3 | Very low | 34.1 | Very low | 181 Ų | 181 | 141.1 Ų | 141.1 | 79% | 0.787 | 78% | 0.78 | S | S | * | * | trans | -156.9 | 119.4 | 156.1 | -157.4 | 163.5 | -174.6 | 176 | 0 | 115.8 | ||||
| 171 | D | 33 | Very low | 34.7 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 58% | 0.578 | 79% | 0.785 | S | S | * | * | trans | 34.6 | 124 | 147.8 | -42.1 | -21.7 | 0 | 0 | 0 | 122.4 | ||||
| 172 | V | 37.9 | Very low | 34.9 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 96% | 0.958 | 79% | 0.785 | S | S | * | * | -153.5 | 161.9 | 112.9 | -93.7 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 173 | A | 35.2 | Very low | 35.5 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | trans | -109.7 | 162.9 | -159.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 174 | G | 32.8 | Very low | 35.6 | Very low | 62 Ų | 62 | 140.9 Ų | 140.9 | 64% | 0.639 | 80% | 0.798 | S | S | * | * | trans | 176.4 | 106.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 175 | M | 38.4 | Very low | 35.6 | Very low | 198 Ų | 198 | 139.6 Ų | 139.6 | 98% | 0.975 | 80% | 0.802 | S | S | * | * | trans | 56.8 | 133.7 | 177.1 | -73 | 69.7 | 168.1 | 0 | 0 | 117.4 | ||||
| 176 | G | 36.4 | Very low | 35.7 | Very low | 64 Ų | 64 | 132.9 Ų | 132.9 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | cis | 157.8 | 123.3 | -13.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 177 | Q | 36.3 | Very low | 35.6 | Very low | 188 Ų | 188 | 135.5 Ų | 135.5 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | 60 | 148 | 160.8 | -46.8 | -60.7 | -3.9 | 0 | 0 | 119.2 | ||||
| 178 | S | 31.3 | Very low | 35.2 | Very low | 87 Ų | 87 | 134.3 Ų | 134.3 | 61% | 0.608 | 81% | 0.813 | S | S | * | * | cis | -165 | 141.6 | -29.7 | -164.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 179 | L | 32.8 | Very low | 35.3 | Very low | 161 Ų | 161 | 127 Ų | 127 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | 34.7 | 126 | 155 | -61.3 | 172 | 0 | 0 | 0 | 122.5 | ||||
| 180 | S | 40.8 | Very low | 35.4 | Very low | 115 Ų | 115 | 127.6 Ų | 127.6 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -76.9 | 158.7 | 152.9 | -40.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 181 | P | 45.7 | Very low | 35.4 | Very low | 128 Ų | 128 | 128.1 Ų | 128.1 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | trans | -136.4 | -179.7 | 141.9 | 37.3 | -24.1 | 0 | 0 | 0 | 114.4 | ||||
| 182 | L | 35.9 | Very low | 35.3 | Very low | 163 Ų | 163 | 128.8 Ų | 128.8 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | trans | -104.9 | 157.4 | -172.2 | -70.1 | 157.8 | 0 | 0 | 0 | 113.3 | ||||
| 183 | S | 42 | Very low | 35.1 | Very low | 116 Ų | 116 | 125.7 Ų | 125.7 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | 54.3 | 109.8 | 146.8 | -58.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 184 | S | 29.6 | Very low | 35 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -153.3 | 138 | 145.7 | 44.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 185 | S | 34.5 | Very low | 35 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | cis | 89.4 | 102.3 | 44.2 | -64.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 186 | G | 29.5 | Very low | 34.7 | Very low | 70 Ų | 70 | 128.7 Ų | 128.7 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | 143.9 | 109.1 | 149.9 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 187 | L | 37.1 | Very low | 34.5 | Very low | 187 Ų | 187 | 132.7 Ų | 132.7 | 98% | 0.979 | 81% | 0.813 | S | S | * | * | trans | 74.3 | 144.3 | 136.3 | -55.2 | 175.7 | 0 | 0 | 0 | 123 | ||||
| 188 | G | 31.3 | Very low | 34.9 | Very low | 83 Ų | 83 | 128.9 Ų | 128.9 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | trans | 109.4 | 125.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 189 | G | 33.8 | Very low | 34.8 | Very low | 84 Ų | 84 | 131.7 Ų | 131.7 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | cis | -164.9 | 167.2 | -1.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 190 | I | 35.1 | Very low | 34.7 | Very low | 175 Ų | 175 | 135 Ų | 135 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | trans | -81.3 | 135.8 | -167.1 | 39 | 164.9 | 0 | 0 | 0 | 117.2 | ||||
| 191 | H | 34.9 | Very low | 34.2 | Very low | 192 Ų | 192 | 133.6 Ų | 133.6 | 89% | 0.889 | 81% | 0.806 | S | S | * | * | trans | -165.5 | 121.4 | 143.3 | -145.1 | -136.7 | 0 | 0 | 0 | 108.2 | ||||
| 192 | N | 30.2 | Very low | 33.9 | Very low | 122 Ų | 122 | 136.5 Ų | 136.5 | 65% | 0.652 | 81% | 0.808 | S | S | * | * | 59.8 | 131.9 | 88 | -148.6 | 24.6 | 0 | 0 | 0 | 113.3 | |||||
| 193 | S | 33 | Very low | 34.2 | Very low | 93 Ų | 93 | 134.7 Ų | 134.7 | 65% | 0.65 | 81% | 0.806 | S | S | * | * | cis | -156.5 | 141.3 | 20.9 | 58.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 194 | Q | 33.9 | Very low | 33.7 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | 62.2 | 107.5 | 128.7 | -161.1 | 174.5 | 105.9 | 0 | 0 | 123.3 | |||||
| 195 | Q | 33.3 | Very low | 33.9 | Very low | 188 Ų | 188 | 132.5 Ų | 132.5 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | trans | 59.9 | 142.2 | 138.3 | -59.8 | -179.2 | 8.4 | 0 | 0 | 123 | ||||
| 196 | G | 31.8 | Very low | 33.8 | Very low | 80 Ų | 80 | 131.3 Ų | 131.3 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | 169.1 | 54.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 197 | L | 33 | Very low | 34.5 | Very low | 148 Ų | 148 | 135.8 Ų | 135.8 | 78% | 0.775 | 81% | 0.812 | S | S | * | * | trans | -109.2 | 164.4 | 169.7 | -80.7 | 170.2 | 0 | 0 | 0 | 109.2 | ||||
| 198 | P | 44.1 | Very low | 35.1 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | cis | -141.5 | 167.7 | 21.4 | 41.6 | -22.9 | 0 | 0 | 0 | 118.9 | ||||
| 199 | H | 29 | Very low | 35.2 | Very low | 146 Ų | 146 | 133.1 Ų | 133.1 | 68% | 0.676 | 79% | 0.789 | S | S | * | * | trans | 21.2 | 166.2 | 137.2 | -52.6 | 102.1 | 0 | 0 | 0 | 125.2 | ||||
| 200 | Y | 30.8 | Very low | 35 | Very low | 232 Ų | 232 | 134.7 Ų | 134.7 | 91% | 0.91 | 78% | 0.778 | S | S | * | * | trans | 82.6 | 138.3 | 174.2 | -68.1 | -88.2 | 0 | 0 | 0 | 116 | ||||
| 201 | A | 30.6 | Very low | 35.2 | Very low | 85 Ų | 85 | 136 Ų | 136 | 70% | 0.702 | 78% | 0.777 | S | S | * | * | cis | -155.5 | 160.4 | -7.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 202 | H | 38.9 | Very low | 35.1 | Very low | 189 Ų | 189 | 134.5 Ų | 134.5 | 88% | 0.875 | 77% | 0.772 | S | S | * | * | trans | -91 | 145.4 | 147 | -99.1 | -59 | 0 | 0 | 0 | 107.6 | ||||
| 203 | P | 42.7 | Very low | 35.5 | Very low | 124 Ų | 124 | 136.9 Ų | 136.9 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | -152.8 | -167.4 | 72.7 | 42.8 | -23.8 | 0 | 0 | 0 | 114.8 | |||||
| 204 | G | 30.1 | Very low | 36.1 | Very low | 79 Ų | 79 | 138.9 Ų | 138.9 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | trans | 112.7 | 133 | 150.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 205 | A | 35.5 | Very low | 36.9 | Very low | 107 Ų | 107 | 136 Ų | 136 | 88% | 0.884 | 79% | 0.788 | S | S | * | * | trans | -99.6 | 151.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 206 | A | 32 | Very low | 37 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | -154.7 | 144.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 207 | M | 42.7 | Very low | 36.9 | Very low | 164 Ų | 164 | 133.3 Ų | 133.3 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | trans | -94.5 | 159.7 | 167.2 | -62.5 | -80.8 | -78 | 0 | 0 | 109 | ||||
| 208 | P | 50 | Low | 36.8 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | -138.2 | 161.4 | 93.5 | 42.7 | -30.2 | 0 | 0 | 0 | 111.1 | |||||
| 209 | T | 33.3 | Very low | 36.2 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 63% | 0.632 | 77% | 0.771 | S | S | * | * | 49.9 | 139.9 | 56.4 | 101 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 210 | D | 30.8 | Very low | 36.4 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 63% | 0.631 | 77% | 0.766 | S | S | * | * | cis | -130.5 | 168.2 | 4.1 | -95.9 | -82.1 | 0 | 0 | 0 | 108.2 | ||||
| 211 | K | 37.7 | Very low | 36.7 | Very low | 201 Ų | 201 | 129.9 Ų | 129.9 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | -154.9 | 144.1 | 50.3 | -68.7 | 165.8 | -177.9 | 174.9 | 0 | 112.1 | |||||
| 212 | M | 32.6 | Very low | 37.3 | Very low | 162 Ų | 162 | 134.4 Ų | 134.4 | 80% | 0.798 | 77% | 0.768 | S | S | * | * | trans | -100 | 158.9 | 170.4 | -45.1 | 174.6 | -151.8 | 0 | 0 | 110.2 | ||||
| 213 | L | 39.7 | Very low | 37.9 | Very low | 171 Ų | 171 | 131.5 Ų | 131.5 | 90% | 0.895 | 77% | 0.766 | S | S | * | * | trans | -172.7 | 96.1 | 152.5 | -107.7 | 158 | 0 | 0 | 0 | 112.5 | ||||
| 214 | T | 45.5 | Very low | 37.5 | Very low | 135 Ų | 135 | 130 Ų | 130 | 83% | 0.828 | 76% | 0.764 | S | S | * | * | trans | -148 | 128.9 | 164.9 | -46.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 215 | P | 51 | Low | 37.8 | Very low | 104 Ų | 104 | 134.2 Ų | 134.2 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | -128.7 | 173.7 | 120.8 | 4.3 | 18.4 | 0 | 0 | 0 | 110.4 | |||||
| 216 | N | 34 | Very low | 37.8 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | cis | -157 | 179.7 | -10.6 | -114.1 | 3.8 | 0 | 0 | 0 | 107.1 | ||||
| 217 | G | 30 | Very low | 37.7 | Very low | 53 Ų | 53 | 135.8 Ų | 135.8 | 55% | 0.546 | 76% | 0.762 | S | S | . | * | cis | 123.4 | 130.6 | 3.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 218 | F | 31.8 | Very low | 37.3 | Very low | 187 Ų | 187 | 137.8 Ų | 137.8 | 82% | 0.82 | 76% | 0.761 | S | S | * | * | trans | 66.6 | 142.5 | -170.7 | 153.8 | -70.9 | 0 | 0 | 0 | 113 | ||||
| 219 | E | 31.1 | Very low | 36.4 | Very low | 128 Ų | 128 | 139.9 Ų | 139.9 | 60% | 0.598 | 76% | 0.76 | S | S | * | * | cis | -142.5 | 124.4 | 4.7 | -169.2 | 71.8 | 133.3 | 0 | 0 | 106.3 | ||||
| 220 | A | 33.5 | Very low | 36.3 | Very low | 71 Ų | 71 | 138.1 Ų | 138.1 | 59% | 0.587 | 76% | 0.763 | S | S | * | * | 58.8 | 144.4 | 86.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 221 | H | 36.8 | Very low | 36.2 | Very low | 175 Ų | 175 | 140 Ų | 140 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | trans | 87.7 | 124.5 | 166.4 | -60.5 | -74.2 | 0 | 0 | 0 | 122.6 | ||||
| 222 | H | 42.5 | Very low | 36 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 83% | 0.833 | 76% | 0.763 | S | S | * | * | trans | -72.6 | 168.2 | 154.2 | -56.3 | -109.2 | 0 | 0 | 0 | 110 | ||||
| 223 | P | 52 | Low | 36.1 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | -145.2 | 166.8 | 95.1 | 39 | -25.4 | 0 | 0 | 0 | 115.3 | |||||
| 224 | A | 35.6 | Very low | 35.8 | Very low | 94 Ų | 94 | 138.2 Ų | 138.2 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | trans | -130.9 | 129.7 | 156 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 225 | M | 34.9 | Very low | 35.4 | Very low | 166 Ų | 166 | 137.9 Ų | 137.9 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -158.3 | 138.3 | 167.3 | -93.3 | -50 | -166.8 | 0 | 0 | 113 | ||||
| 226 | L | 36.8 | Very low | 35.3 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | trans | 28.7 | 137.9 | 140.8 | -61.7 | 165.5 | 0 | 0 | 0 | 121.9 | ||||
| 227 | G | 30.2 | Very low | 35.2 | Very low | 80 Ų | 80 | 137 Ų | 137 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | trans | 169.9 | 98.8 | 157.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 228 | R | 32.4 | Very low | 35.6 | Very low | 206 Ų | 206 | 140.1 Ų | 140.1 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | trans | -61.4 | 149.2 | -179.2 | -99.2 | 175.4 | 147.6 | -100.6 | -4.3 | 117.3 | ||||
| 229 | H | 32.3 | Very low | 35.8 | Very low | 153 Ų | 153 | 136.3 Ų | 136.3 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | trans | 74.2 | 161.7 | 140.3 | -82 | 29.8 | 0 | 0 | 0 | 121.1 | ||||
| 230 | G | 30.6 | Very low | 36 | Very low | 67 Ų | 67 | 133.4 Ų | 133.4 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | trans | 99.4 | 84.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 231 | E | 29.6 | Very low | 36.2 | Very low | 158 Ų | 158 | 138.9 Ų | 138.9 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | 81.5 | 132.3 | 65.1 | -74.7 | -153.7 | 65.8 | 0 | 0 | 116.6 | |||||
| 232 | Q | 33.6 | Very low | 36.8 | Very low | 162 Ų | 162 | 136.9 Ų | 136.9 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | trans | 60.9 | 111.2 | 156.4 | -62.4 | 173.9 | 49.8 | 0 | 0 | 119.4 | ||||
| 233 | H | 33.9 | Very low | 37.5 | Very low | 188 Ų | 188 | 133.2 Ų | 133.2 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | -114.5 | 127 | 161.1 | 179.6 | -147.6 | 0 | 0 | 0 | 108.4 | ||||
| 234 | L | 34.3 | Very low | 37 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | trans | -98.2 | 153.6 | 179.1 | -71.7 | 169.7 | 0 | 0 | 0 | 111.6 | ||||
| 235 | T | 36.9 | Very low | 36.9 | Very low | 127 Ų | 127 | 137.1 Ų | 137.1 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | -88.8 | -179.7 | 175.7 | 65.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 236 | P | 48.3 | Very low | 36.8 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | -110.4 | -148.9 | 52.8 | 18.2 | 5.2 | 0 | 0 | 0 | 110.3 | |||||
| 237 | T | 32.2 | Very low | 36.9 | Very low | 131 Ų | 131 | 132.7 Ų | 132.7 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | cis | -154.9 | 162.1 | 10 | -39.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 238 | S | 37.9 | Very low | 38 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -151 | 161.8 | 178.1 | 63.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 239 | A | 36.5 | Very low | 39.1 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 88% | 0.884 | 77% | 0.769 | S | S | * | * | trans | -161.3 | 139 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 240 | G | 34.3 | Very low | 39.1 | Very low | 68 Ų | 68 | 130.3 Ų | 130.3 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | cis | -175.9 | -172.5 | -5.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 241 | M | 37.6 | Very low | 39.6 | Very low | 186 Ų | 186 | 135.8 Ų | 135.8 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | trans | 74.7 | 147.7 | 179.8 | -54.7 | -173.6 | -178.6 | 0 | 0 | 117.1 | ||||
| 242 | V | 49.9 | Very low | 40.8 | Very low | 133 Ų | 133 | 134.2 Ų | 134.2 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | -167 | 173.6 | -74 | -80.2 | 0 | 0 | 0 | 0 | 108 | |||||
| 243 | P | 56.7 | Low | 40.8 | Very low | 102 Ų | 102 | 135.2 Ų | 135.2 | 66% | 0.662 | 79% | 0.791 | S | S | * | * | -136.7 | -168.3 | -71.6 | 42.8 | -24.6 | 0 | 0 | 0 | 114.3 | |||||
| 244 | I | 41.6 | Very low | 40.7 | Very low | 149 Ų | 149 | 130 Ų | 130 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | 74.1 | 138.7 | 153 | -81.4 | 175.2 | 0 | 0 | 0 | 117.2 | ||||
| 245 | N | 34.5 | Very low | 40.7 | Very low | 156 Ų | 156 | 131.4 Ų | 131.4 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | cis | -151.6 | 159 | 0.5 | -131.7 | 6.1 | 0 | 0 | 0 | 112.6 | ||||
| 246 | G | 33.1 | Very low | 40.3 | Very low | 68 Ų | 68 | 132 Ų | 132 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | 131.9 | 115.3 | 161 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 247 | L | 37.6 | Very low | 39.5 | Very low | 168 Ų | 168 | 132.4 Ų | 132.4 | 88% | 0.88 | 78% | 0.777 | S | S | * | * | trans | -153.2 | 172.5 | -175.8 | -73.4 | 173.4 | 0 | 0 | 0 | 109.4 | ||||
| 248 | P | 54.9 | Low | 39.5 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | cis | -130.5 | -141 | -49 | 42.2 | -24.9 | 0 | 0 | 0 | 107.7 | ||||
| 249 | P | 54.8 | Low | 39.3 | Very low | 94 Ų | 94 | 135.6 Ų | 135.6 | 61% | 0.61 | 78% | 0.779 | S | S | * | * | cis | -120.9 | -174.4 | -33.9 | 40.3 | -25.8 | 0 | 0 | 0 | 112.2 | ||||
| 250 | H | 33.1 | Very low | 39.1 | Very low | 183 Ų | 183 | 133.9 Ų | 133.9 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | 171.9 | 152.1 | 126.3 | -90.9 | -68.6 | 0 | 0 | 0 | 112.3 | |||||
| 251 | H | 39.9 | Very low | 39 | Very low | 183 Ų | 183 | 139.2 Ų | 139.2 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | trans | -132.1 | 175.6 | -178.2 | -100.7 | -70.9 | 0 | 0 | 0 | 107.8 | ||||
| 252 | P | 54.3 | Low | 38.7 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | cis | -130.2 | -116.2 | -3.9 | 35.6 | -13.3 | 0 | 0 | 0 | 112.6 | ||||
| 253 | H | 35.6 | Very low | 38 | Very low | 183 Ų | 183 | 135.1 Ų | 135.1 | 85% | 0.847 | 77% | 0.766 | S | S | * | * | trans | -131.9 | 164.9 | -163.5 | -177.2 | 61.4 | 0 | 0 | 0 | 111.4 | ||||
| 254 | A | 30.8 | Very low | 36.9 | Very low | 80 Ų | 80 | 137.1 Ų | 137.1 | 66% | 0.661 | 77% | 0.771 | S | S | * | * | trans | 88.6 | 128.3 | 159.1 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 255 | H | 34.1 | Very low | 36.6 | Very low | 175 Ų | 175 | 138.2 Ų | 138.2 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | 97.6 | 148.4 | 133.9 | -147.7 | -116.4 | 0 | 0 | 0 | 122.1 | ||||
| 256 | L | 28 | Very low | 36.4 | Very low | 138 Ų | 138 | 134.4 Ų | 134.4 | 72% | 0.723 | 77% | 0.774 | S | S | * | * | trans | 79 | 130.3 | 163.7 | -143.8 | 71.5 | 0 | 0 | 0 | 121.9 | ||||
| 257 | N | 33.2 | Very low | 36.4 | Very low | 122 Ų | 122 | 137.9 Ų | 137.9 | 65% | 0.652 | 78% | 0.782 | S | S | * | * | trans | -39.4 | 150.5 | 158.3 | -176.4 | 39.9 | 0 | 0 | 0 | 115.7 | ||||
| 258 | T | 30.7 | Very low | 36.1 | Very low | 138 Ų | 138 | 134.5 Ų | 134.5 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | trans | -132.1 | 131.4 | 169.3 | -72.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 259 | Q | 35.3 | Very low | 35 | Very low | 180 Ų | 180 | 140.3 Ų | 140.3 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | -144.6 | 139 | -180 | -177.3 | 175.3 | 0.5 | 0 | 0 | 111.1 | ||||
| 260 | G | 31.3 | Very low | 34.1 | Very low | 71 Ų | 71 | 143.8 Ų | 143.8 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | trans | 158.9 | 146.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 261 | H | 33.3 | Very low | 34.3 | Very low | 180 Ų | 180 | 140.8 Ų | 140.8 | 83% | 0.833 | 79% | 0.791 | S | S | * | * | cis | -154.8 | 146.2 | 2.1 | -175.7 | 94.2 | 0 | 0 | 0 | 108.9 | ||||
| 262 | G | 29.4 | Very low | 34.1 | Very low | 68 Ų | 68 | 139 Ų | 139 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | -166.9 | 11.2 | -165.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 263 | Q | 35.3 | Very low | 33.8 | Very low | 164 Ų | 164 | 138.5 Ų | 138.5 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | trans | 64 | 149.8 | 163.3 | -56.5 | -167.3 | 37.5 | 0 | 0 | 122.9 | ||||
| 264 | L | 34.8 | Very low | 33.6 | Very low | 145 Ų | 145 | 134.4 Ų | 134.4 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | 67.7 | 110.3 | 157.4 | -101 | 80.9 | 0 | 0 | 0 | 123.5 | ||||
| 265 | L | 34.4 | Very low | 34 | Very low | 172 Ų | 172 | 136.9 Ų | 136.9 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | 59.5 | 127.9 | 125.2 | -150.8 | 78.6 | 0 | 0 | 0 | 121 | |||||
| 266 | G | 31.7 | Very low | 34.2 | Very low | 75 Ų | 75 | 135 Ų | 135 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | 149.1 | 102.3 | 158.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 267 | T | 31.6 | Very low | 34.4 | Very low | 141 Ų | 141 | 131.9 Ų | 131.9 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | -55.7 | 129.7 | 177.7 | 47.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 268 | A | 31.1 | Very low | 34.9 | Very low | 97 Ų | 97 | 131.3 Ų | 131.3 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | trans | 65.9 | 143.1 | 131 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 269 | R | 33.1 | Very low | 35.2 | Very low | 233 Ų | 233 | 133.9 Ų | 133.9 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | trans | 102.2 | 114.2 | 140.1 | -158.8 | 173.4 | -173.6 | 153.9 | 2 | 120 | ||||
| 270 | E | 34.6 | Very low | 35.3 | Very low | 167 Ų | 167 | 131.9 Ų | 131.9 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | trans | 54.7 | 129.7 | 150.9 | -64.8 | -68.6 | 83.9 | 0 | 0 | 122 | ||||
| 271 | P | 37 | Very low | 35.5 | Very low | 120 Ų | 120 | 134.1 Ų | 134.1 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | -92.5 | 132.8 | 168.2 | 35.6 | -30.7 | 0 | 0 | 0 | 113.2 | ||||
| 272 | N | 36.8 | Very low | 35.7 | Very low | 146 Ų | 146 | 132 Ų | 132 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | trans | -149.3 | 139.1 | 161.9 | -177.6 | 14 | 0 | 0 | 0 | 108.7 | S274 | N272-S274 PolarHBondContact OD1-N 2.57Š| ||
| 273 | P | 48.1 | Very low | 36.4 | Very low | 113 Ų | 113 | 132.1 Ų | 132.1 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | -140.6 | 131.5 | 128.6 | 29.4 | -12 | 0 | 0 | 0 | 115.9 | |||||
| 274 | S | 30.9 | Very low | 36.8 | Very low | 97 Ų | 97 | 128.8 Ų | 128.8 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | trans | 73.5 | 90.2 | 131.4 | -56.2 | 0 | 0 | 0 | 0 | 120.6 | N272 | N272-S274 PolarHBondContact OD1-N 2.57Š| ||
| 275 | V | 38.4 | Very low | 37.2 | Very low | 133 Ų | 133 | 127.2 Ų | 127.2 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | 43.5 | 114 | 110.1 | -178.9 | 0 | 0 | 0 | 0 | 118 | |||||
| 276 | T | 39.1 | Very low | 37.8 | Very low | 135 Ų | 135 | 124.3 Ų | 124.3 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | trans | -21.5 | 124.2 | 154.9 | 49.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 277 | G | 31.9 | Very low | 37.9 | Very low | 73 Ų | 73 | 124.2 Ų | 124.2 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | trans | -112.8 | 116.5 | 155 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q279 | G277-Q279 PolarHBondContact O-N 3.09Š| ||
| 278 | A | 44.6 | Very low | 38.3 | Very low | 110 Ų | 110 | 124.3 Ų | 124.3 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | trans | -81.9 | 101.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 279 | Q | 36.4 | Very low | 39.4 | Very low | 191 Ų | 191 | 124.4 Ų | 124.4 | 89% | 0.893 | 76% | 0.756 | S | S | * | * | trans | -96.9 | 137.2 | 166.2 | -70.2 | -161.2 | -86.7 | 0 | 0 | 111.1 | G277 S281 | G277-Q279 PolarHBondContact O-N 3.09Å; Q279-S281 PolarHBondContact O-N 2.87Å | ||
| 280 | V | 36.6 | Very low | 40.7 | Very low | 138 Ų | 138 | 120.2 Ų | 120.2 | 84% | 0.836 | 75% | 0.746 | S | S | * | * | trans | -62.9 | 120 | -174.3 | -165 | 0 | 0 | 0 | 0 | 110.1 | N282 | V280-N282 VanDerWaalsContact C-N 3.26Å; V280-N282 PolarHBondContact O-N 2.85Å | ||
| 281 | S | 36 | Very low | 42.6 | Very low | 119 Ų | 119 | 119.6 Ų | 119.6 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | trans | -76.1 | 76.2 | -178.4 | -167 | 0 | 0 | 0 | 0 | 111.3 | Q279 G283 | Q279-S281 PolarHBondContact O-N 2.87Å; S281-G283 VanDerWaalsContact C-N 3.28Å; S281-G283 PolarHBondContact O-N 3.33Å | ||
| 282 | N | 38.3 | Very low | 45 | Very low | 135 Ų | 135 | 114.3 Ų | 114.3 | 72% | 0.722 | 71% | 0.709 | S | S | * | * | trans | -78.1 | 79.1 | 179.1 | -158.5 | 95.2 | 0 | 0 | 0 | 110 | V280 S284 | V280-N282 VanDerWaalsContact C-N 3.26Å; V280-N282 PolarHBondContact O-N 2.85Å; N282-S284 PolarHBondContact O-N 3.19Å | ||
| 283 | G | 44.4 | Very low | 47.6 | Very low | 70 Ų | 70 | 111.1 Ų | 111.1 | 72% | 0.722 | 69% | 0.692 | S | S | * | * | trans | -52.8 | 109 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114 | S281 | S281-G283 VanDerWaalsContact C-N 3.28Å; S281-G283 PolarHBondContact O-N 3.33Å | ||
| 284 | S | 42.8 | Very low | 49.9 | Very low | 95 Ų | 95 | 106 Ų | 106 | 66% | 0.664 | 66% | 0.658 | S | S | * | * | trans | -142 | 56.8 | 177.9 | -73.2 | 0 | 0 | 0 | 0 | 112.3 | N282 S286 | N282-S284 PolarHBondContact O-N 3.19Å; S284-S286 VanDerWaalsContact C-N 3.34Å; S284-S286 PolarHBondContact O-N 2.89Å | ||
| 285 | N | 43.8 | Very low | 52.9 | Low | 111 Ų | 111 | 106.3 Ų | 106.3 | 59% | 0.594 | 65% | 0.647 | S | S | * | * | trans | 48.1 | 37.8 | 149.3 | -146.3 | 3.8 | 0 | 0 | 0 | 118.4 | G287 Q288 | N285-G287 VanDerWaalsContact C-N 3.33Å; N285-G287 PolarHBondContact O-N 2.93Å; N285-Q288 PolarHBondContact ND2-OE1 2.85Å; N285-Q288 WeakPolarHBondContact OD1-CB 3.43Å; N285-Q288 VanDerWaalsContact OD1-CD 3.31Å; N285-Q288 VanDerWaalsContact OD1-CG 3.24Å; N285-Q288 WeakPolarHBondContact OD1-CG 3.43Å; N285-Q288 PolarHBondContact OD1-OE1 3.37Å | ||
| 286 | S | 45.6 | Very low | 55.6 | Low | 111 Ų | 111 | 103 Ų | 103 | 78% | 0.776 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -68.8 | -28.7 | 176.4 | 50.3 | 0 | 0 | 0 | 0 | 113.5 | S284 Q288 | S284-S286 VanDerWaalsContact C-N 3.34Å; S284-S286 PolarHBondContact O-N 2.89Å; S286-Q288 VanDerWaalsContact C-N 3.35Å; S286-Q288 PolarHBondContact O-N 2.78Å |
| 287 | G | 35.6 | Very low | 58.3 | Low | 73 Ų | 73 | 96.8 Ų | 96.8 | 75% | 0.753 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -70.6 | -20.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | N285 | N285-G287 VanDerWaalsContact C-N 3.33Å; N285-G287 PolarHBondContact O-N 2.93Å |
| 288 | Q | 39.8 | Very low | 61.4 | Low | 144 Ų | 144 | 93.4 Ų | 93.4 | 67% | 0.673 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -90.5 | 5.8 | 179.6 | -70.2 | -173.1 | -17.8 | 0 | 0 | 114 | N285 S286 E290 | N285-Q288 PolarHBondContact ND2-OE1 2.85Å; N285-Q288 WeakPolarHBondContact OD1-CB 3.43Å; N285-Q288 VanDerWaalsContact OD1-CD 3.31Å; N285-Q288 VanDerWaalsContact OD1-CG 3.24Å; N285-Q288 WeakPolarHBondContact OD1-CG 3.43Å; N285-Q288 PolarHBondContact OD1-OE1 3.37Å; S286-Q288 VanDerWaalsContact C-N 3.35Å; S286-Q288 PolarHBondContact O-N 2.78Å; Q288-E290 PolarHBondContact O-N 3.43Å |
| 289 | M | 52.5 | Low | 63.9 | Low | 99 Ų | 99 | 94.2 Ų | 94.2 | 49% | 0.488 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -10.8 | -175.6 | -153.5 | -172.2 | -176 | 0 | 0 | 114.4 | W351 | M289-W351 HydrophobicContact CE-CZ3 4.28Š|
| 290 | E | 61.1 | Low | 66.8 | Low | 144 Ų | 144 | 90.9 Ų | 90.9 | 67% | 0.673 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -18 | -175 | -77.8 | -121.1 | 86.6 | 0 | 0 | 115.3 | Q288 W337 | Q288-E290 PolarHBondContact O-N 3.43Å; E290-W337 PolarHBondContact O-NE1 3.13Å |
| 291 | E | 75 | Confident | 69.8 | Low | 155 Ų | 155 | 84.3 Ų | 84.3 | 72% | 0.724 | 47% | 0.474 | S | S | * | . | trans | -121.1 | 76.2 | -179.9 | -172.6 | 146.7 | -133.3 | 0 | 0 | 112.8 | N293 | E291-N293 PolarHBondContact O-N 2.85Š| ||
| 292 | I | 86.4 | Confident | 72.7 | Confident | 9 Ų | 9 | 80.7 Ų | 80.7 | 5% | 0.046 | 45% | 0.447 | C | S | . | . | trans | -77.3 | 113.4 | 173.3 | -62.4 | 179.8 | 0 | 0 | 0 | 109.8 | T294 V297 W337 R348 W351 | I292-T294 PolarHBondContact O-N 2.95Å; I292-V297 HydrophobicContact CG2-CG2 3.64Å; I292-W337 HydrophobicContact CB-CD2 4.39Å; I292-W337 HydrophobicContact CB-CE3 4.03Å; I292-W337 HydrophobicContact CB-CH2 4.14Å; I292-W337 HydrophobicContact CB-CZ2 4.48Å; I292-W337 HydrophobicContact CB-CZ3 3.91Å; I292-W337 HydrophobicContact CD1-CH2 3.9Å; I292-W337 HydrophobicContact CD1-CZ3 4.21Å; I292-W337 HydrophobicContact CG1-CH2 4.2Å; I292-W337 HydrophobicContact CG1-CZ3 4.42Å; I292-R348 HydrophobicContact CD1-CB 4.48Å; I292-R348 HydrophobicContact CD1-CG 3.81Å; I292-W351 HydrophobicContact CD1-CB 4.15Å; I292-W351 HydrophobicContact CD1-CD2 4.41Å; I292-W351 HydrophobicContact CD1-CG 4.21Å; I292-W351 HydrophobicContact CG2-CB 4.35Å; I292-W351 HydrophobicContact CG2-CG 4.47Å | ||
| 293 | N | 92.8 | Very high | 75.5 | Confident | 79 Ų | 79 | 77.9 Ų | 77.9 | 42% | 0.422 | 44% | 0.435 | S | S | . | . | trans | -63.1 | 101.6 | 171.6 | -177.5 | -6.2 | 0 | 0 | 0 | 111.2 | E291 K295 E296 V297 | E291-N293 PolarHBondContact O-N 2.85Å; N293-K295 VanDerWaalsContact C-N 3.34Å; N293-K295 PolarHBondContact O-N 2.88Å; N293-K295 PolarHBondContact OD1-N 3.12Å; N293-E296 HydrophobicContact CB-CB 3.93Å; N293-E296 WeakPolarHBondContact CB-OE2 3.48Å; N293-E296 VanDerWaalsContact CG-CB 3.47Å; N293-E296 VanDerWaalsContact ND2-CB 3.33Å; N293-E296 WeakPolarHBondContact ND2-CB 3.32Å; N293-E296 PolarHBondContact ND2-OE2 3.16Å; N293-E296 PolarHBondContact O-N 3.28Å; N293-E296 PolarHBondContact OD1-N 3.19Å; N293-V297 WeakPolarHBondContact O-CG2 3.34Å; N293-V297 PolarHBondContact O-N 2.92Å | ||
| 294 | T | 94.9 | Very high | 78 | Confident | 4 Ų | 4 | 75.5 Ų | 75.5 | 3% | 0.025 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -67.5 | -31 | -175 | 54.3 | 0 | 0 | 0 | 0 | 113.3 | I292 A298 P334 K335 W337 L340 F347 | I292-T294 PolarHBondContact O-N 2.95Å; T294-A298 VanDerWaalsContact O-CB 3.29Å; T294-A298 WeakPolarHBondContact O-CB 3.43Å; T294-A298 PolarHBondContact O-N 3.43Å; T294-A298 VanDerWaalsContact O-N 3.1Å; T294-P334 WeakPolarHBondContact O-CB 3.33Å; T294-K335 WeakPolarHBondContact CB-O 3.3Å; T294-K335 PolarHBondContact OG1-O 3.33Å; T294-W337 HydrophobicContact CG2-CB 4.03Å; T294-W337 HydrophobicContact CG2-CE3 3.95Å; T294-L340 HydrophobicContact CG2-CD1 3.75Å; T294-F347 HydrophobicContact CG2-CD1 3.97Å; T294-F347 HydrophobicContact CG2-CD2 4.12Å; T294-F347 HydrophobicContact CG2-CE1 4.1Å; T294-F347 HydrophobicContact CG2-CE2 4.23Å; T294-F347 HydrophobicContact CG2-CG 3.98Å; T294-F347 HydrophobicContact CG2-CZ 4.22Å; T294-F347 WeakPolarHBondContact O-CE1 3.39Å |
| 295 | K | 93.9 | Very high | 80.6 | Confident | 105 Ų | 105 | 71.4 Ų | 71.4 | 46% | 0.457 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.9 | -50.4 | 175 | -74.9 | -168.1 | 173 | -167 | 0 | 110.3 | N293 A298 Q299 P334 D446 | N293-K295 VanDerWaalsContact C-N 3.34Å; N293-K295 PolarHBondContact O-N 2.88Å; N293-K295 PolarHBondContact OD1-N 3.12Å; K295-A298 PolarHBondContact O-N 3.43Å; K295-Q299 WeakPolarHBondContact O-CG 3.44Å; K295-Q299 PolarHBondContact O-N 2.89Å; K295-P334 HydrophobicContact CG-CG 4.16Å; K295-D446 IonicContact NZ-OD2 3.85Å |
| 296 | E | 95.3 | Very high | 83.1 | Confident | 64 Ų | 64 | 73.6 Ų | 73.6 | 30% | 0.299 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 179.7 | 178.6 | -174.9 | 170.5 | 0 | 0 | 112.5 | N293 A298 Q299 R300 | N293-E296 HydrophobicContact CB-CB 3.93Å; N293-E296 WeakPolarHBondContact CB-OE2 3.48Å; N293-E296 VanDerWaalsContact CG-CB 3.47Å; N293-E296 VanDerWaalsContact ND2-CB 3.33Å; N293-E296 WeakPolarHBondContact ND2-CB 3.32Å; N293-E296 PolarHBondContact ND2-OE2 3.16Å; N293-E296 PolarHBondContact O-N 3.28Å; N293-E296 PolarHBondContact OD1-N 3.19Å; E296-A298 VanDerWaalsContact C-N 3.35Å; E296-A298 PolarHBondContact O-N 3.26Å; E296-Q299 PolarHBondContact O-N 3.29Å; E296-R300 WeakPolarHBondContact O-CB 3.46Å; E296-R300 PolarHBondContact O-N 2.9Å; E296-R300 IonicContact OE1-CZ 2.93Å; E296-R300 IonicContact OE1-NE 2.78Å; E296-R300 IonicContact OE1-NH1 3.85Å; E296-R300 PolarHBondContact OE1-NH1 2.78Å; E296-R300 IonicContact OE1-NH2 3.78Å; E296-R300 PolarHBondContact OE1-NH2 3.05Å |
| 297 | V | 96.7 | Very high | 85.5 | Confident | 4 Ų | 4 | 75.9 Ų | 75.9 | 2% | 0.024 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 176.3 | 171 | 0 | 0 | 0 | 0 | 111.4 | I292 N293 I301 F347 M350 W351 L354 | I292-V297 HydrophobicContact CG2-CG2 3.64Å; N293-V297 WeakPolarHBondContact O-CG2 3.34Å; N293-V297 PolarHBondContact O-N 2.92Å; V297-I301 HydrophobicContact CG1-CG1 4.37Å; V297-I301 WeakPolarHBondContact O-CB 3.3Å; V297-I301 VanDerWaalsContact O-CG1 3.27Å; V297-I301 WeakPolarHBondContact O-CG1 3.35Å; V297-I301 PolarHBondContact O-N 3.37Å; V297-F347 HydrophobicContact CB-CD1 4.38Å; V297-F347 HydrophobicContact CG1-CD1 4.11Å; V297-M350 HydrophobicContact CG1-CB 3.52Å; V297-M350 HydrophobicContact CG1-SD 4.27Å; V297-W351 HydrophobicContact CG1-CB 4.48Å; V297-W351 HydrophobicContact CG2-CB 4.14Å; V297-W351 HydrophobicContact CG2-CG 4.41Å; V297-L354 HydrophobicContact CG1-CD1 4.35Å |
| 298 | A | 97.3 | Very high | 88.4 | Confident | 1 Ų | 1 | 75.3 Ų | 75.3 | 1% | 0.008 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T294 K295 E296 T302 L331 P334 | T294-A298 VanDerWaalsContact O-CB 3.29Å; T294-A298 WeakPolarHBondContact O-CB 3.43Å; T294-A298 PolarHBondContact O-N 3.43Å; T294-A298 VanDerWaalsContact O-N 3.1Å; K295-A298 PolarHBondContact O-N 3.43Å; E296-A298 VanDerWaalsContact C-N 3.35Å; E296-A298 PolarHBondContact O-N 3.26Å; A298-T302 WeakPolarHBondContact O-CB 3.43Å; A298-T302 PolarHBondContact O-N 2.82Å; A298-T302 PolarHBondContact O-OG1 3.31Å; A298-L331 HydrophobicContact CB-CD2 4.01Å; A298-P334 HydrophobicContact CB-CB 3.77Å; A298-P334 HydrophobicContact CB-CG 3.81Å |
| 299 | Q | 97.4 | Very high | 91 | Very high | 128 Ų | 128 | 73.3 Ų | 73.3 | 60% | 0.598 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64.7 | -51 | 174.9 | -73.7 | 171.7 | -14.5 | 0 | 0 | 111.4 | K295 E296 I301 T302 T303 | K295-Q299 WeakPolarHBondContact O-CG 3.44Å; K295-Q299 PolarHBondContact O-N 2.89Å; E296-Q299 PolarHBondContact O-N 3.29Å; Q299-I301 PolarHBondContact O-N 3.07Å; Q299-T302 WeakPolarHBondContact O-CB 3.5Å; Q299-T302 PolarHBondContact O-N 2.92Å; Q299-T303 PolarHBondContact O-N 3.38Å; Q299-T303 PolarHBondContact O-OG1 3.2Å |
| 300 | R | 97.4 | Very high | 93 | Very high | 121 Ų | 121 | 69.4 Ų | 69.4 | 46% | 0.457 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.1 | -48.9 | 177.7 | -76.4 | -170.4 | 178.8 | 146 | 15.6 | 111.8 | E296 T302 T303 E304 L354 | E296-R300 WeakPolarHBondContact O-CB 3.46Å; E296-R300 PolarHBondContact O-N 2.9Å; E296-R300 IonicContact OE1-CZ 2.93Å; E296-R300 IonicContact OE1-NE 2.78Å; E296-R300 IonicContact OE1-NH1 3.85Å; E296-R300 PolarHBondContact OE1-NH1 2.78Å; E296-R300 IonicContact OE1-NH2 3.78Å; E296-R300 PolarHBondContact OE1-NH2 3.05Å; R300-T302 VanDerWaalsContact C-N 3.28Å; R300-T302 PolarHBondContact O-N 3.1Å; R300-T303 PolarHBondContact O-N 3.32Å; R300-E304 WeakPolarHBondContact O-CB 3.48Å; R300-E304 PolarHBondContact O-N 2.73Å; R300-L354 HydrophobicContact CB-CD1 3.55Å; R300-L354 HydrophobicContact CB-CD2 4.14Å |
| 301 | I | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.2 | -42.9 | 173.6 | -70.6 | -64.4 | 0 | 0 | 0 | 111.3 | V297 Q299 T303 E304 L305 F315 L331 M350 W353 L354 | V297-I301 HydrophobicContact CG1-CG1 4.37Å; V297-I301 WeakPolarHBondContact O-CB 3.3Å; V297-I301 VanDerWaalsContact O-CG1 3.27Å; V297-I301 WeakPolarHBondContact O-CG1 3.35Å; V297-I301 PolarHBondContact O-N 3.37Å; Q299-I301 PolarHBondContact O-N 3.07Å; I301-T303 PolarHBondContact O-N 2.92Å; I301-E304 PolarHBondContact O-N 3.37Å; I301-L305 HydrophobicContact CG2-CD1 3.63Å; I301-L305 HydrophobicContact CG2-CG 4.07Å; I301-L305 WeakPolarHBondContact O-CB 3.42Å; I301-L305 WeakPolarHBondContact O-CG 3.36Å; I301-L305 PolarHBondContact O-N 3.01Å; I301-F315 HydrophobicContact CD1-CE1 4.01Å; I301-F315 HydrophobicContact CD1-CE2 4.39Å; I301-F315 HydrophobicContact CD1-CZ 3.6Å; I301-F315 HydrophobicContact CG2-CD1 4.3Å; I301-F315 HydrophobicContact CG2-CE1 3.85Å; I301-F315 HydrophobicContact CG2-CZ 4.47Å; I301-L331 HydrophobicContact CB-CD2 3.97Å; I301-L331 HydrophobicContact CG2-CD1 4Å; I301-L331 HydrophobicContact CG2-CD2 3.7Å; I301-M350 HydrophobicContact CD1-CB 4.05Å; I301-M350 HydrophobicContact CD1-CG 4.41Å; I301-M350 HydrophobicContact CG1-CB 3.85Å; I301-M350 HydrophobicContact CG1-CG 4.09Å; I301-M350 HydrophobicContact CG1-SD 4.48Å; I301-W353 HydrophobicContact CD1-CE3 3.67Å; I301-W353 HydrophobicContact CD1-CZ3 3.92Å; I301-L354 HydrophobicContact CD1-CD1 4.03Å; I301-L354 HydrophobicContact CD1-CD2 3.91Å; I301-L354 HydrophobicContact CD1-CG 3.71Å; I301-L354 HydrophobicContact CG1-CD1 4.05Å; I301-L354 HydrophobicContact CG1-CG 4.3Å |
| 302 | T | 97.5 | Very high | 95.6 | Very high | 42 Ų | 42 | 61.9 Ų | 61.9 | 26% | 0.258 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.3 | -39.3 | -180 | -60.1 | 0 | 0 | 0 | 0 | 112.3 | A298 Q299 R300 K306 | A298-T302 WeakPolarHBondContact O-CB 3.43Å; A298-T302 PolarHBondContact O-N 2.82Å; A298-T302 PolarHBondContact O-OG1 3.31Å; Q299-T302 WeakPolarHBondContact O-CB 3.5Å; Q299-T302 PolarHBondContact O-N 2.92Å; R300-T302 VanDerWaalsContact C-N 3.28Å; R300-T302 PolarHBondContact O-N 3.1Å; T302-K306 WeakPolarHBondContact O-CG 3.44Å; T302-K306 PolarHBondContact O-N 3.41Å |
| 303 | T | 97.6 | Very high | 96 | Very high | 77 Ų | 77 | 63 Ų | 63 | 47% | 0.472 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.7 | -44.6 | 174.4 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | Q299 R300 I301 K306 R307 | Q299-T303 PolarHBondContact O-N 3.38Å; Q299-T303 PolarHBondContact O-OG1 3.2Å; R300-T303 PolarHBondContact O-N 3.32Å; I301-T303 PolarHBondContact O-N 2.92Å; T303-K306 WeakPolarHBondContact O-CB 3.5Å; T303-K306 PolarHBondContact O-N 3.46Å; T303-R307 WeakPolarHBondContact O-CB 3.49Å; T303-R307 PolarHBondContact O-N 2.88Å |
| 304 | E | 96.8 | Very high | 96.1 | Very high | 19 Ų | 19 | 62.2 Ų | 62.2 | 9% | 0.089 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68 | -40.4 | -175.8 | -140.5 | 62.3 | -164.8 | 0 | 0 | 112.3 | R300 I301 K306 R307 Y308 W353 L354 R361 | R300-E304 WeakPolarHBondContact O-CB 3.48Å; R300-E304 PolarHBondContact O-N 2.73Å; I301-E304 PolarHBondContact O-N 3.37Å; E304-K306 VanDerWaalsContact C-N 3.29Å; E304-K306 PolarHBondContact O-N 3.47Å; E304-R307 VanDerWaalsContact CD-NH1 3.27Å; E304-R307 PolarHBondContact O-N 3.49Å; E304-R307 IonicContact OE1-NH1 2.89Å; E304-R307 PolarHBondContact OE1-NH1 3.32Å; E304-R307 IonicContact OE2-CZ 3.72Å; E304-R307 IonicContact OE2-NH1 3.79Å; E304-R307 PolarHBondContact OE2-NH1 3.14Å; E304-Y308 HydrophobicContact CG-CD2 4.2Å; E304-Y308 HydrophobicContact CG-CE2 3.87Å; E304-Y308 WeakPolarHBondContact O-CD2 3.45Å; E304-Y308 PolarHBondContact O-N 3Å; E304-Y308 VanDerWaalsContact OE1-CE2 3.3Å; E304-Y308 WeakPolarHBondContact OE1-CE2 3.43Å; E304-W353 HydrophobicContact CB-CH2 4.4Å; E304-W353 HydrophobicContact CB-CZ3 4.11Å; E304-W353 HydrophobicContact CG-CH2 4.16Å; E304-W353 HydrophobicContact CG-CZ3 4.03Å; E304-L354 HydrophobicContact CB-CD2 4.18Å; E304-L354 HydrophobicContact CG-CD2 4.19Å; E304-R361 IonicContact OE1-CZ 2.67Å; E304-R361 IonicContact OE1-NH1 3.86Å; E304-R361 PolarHBondContact OE1-NH1 3.06Å; E304-R361 IonicContact OE1-NH2 3.05Å |
| 305 | L | 96.7 | Very high | 96.1 | Very high | 9 Ų | 9 | 62 Ų | 62 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.9 | -33 | 174.1 | -66.6 | 178.1 | 0 | 0 | 0 | 112.1 | I301 S309 I310 Q312 F315 L327 L331 | I301-L305 HydrophobicContact CG2-CD1 3.63Å; I301-L305 HydrophobicContact CG2-CG 4.07Å; I301-L305 WeakPolarHBondContact O-CB 3.42Å; I301-L305 WeakPolarHBondContact O-CG 3.36Å; I301-L305 PolarHBondContact O-N 3.01Å; L305-S309 CarbonylContact O-C 3.53Å; L305-S309 PolarHBondContact O-N 2.88Å; L305-I310 HydrophobicContact CD2-CB 3.65Å; L305-I310 HydrophobicContact CD2-CD1 4.05Å; L305-I310 HydrophobicContact CD2-CG1 4.49Å; L305-I310 HydrophobicContact CD2-CG2 3.59Å; L305-I310 PolarHBondContact O-N 3.32Å; L305-Q312 HydrophobicContact CD1-CG 4.35Å; L305-F315 HydrophobicContact CD1-CB 4.2Å; L305-F315 HydrophobicContact CD1-CD1 3.97Å; L305-F315 HydrophobicContact CD1-CG 4.2Å; L305-F315 HydrophobicContact CD2-CB 3.57Å; L305-F315 HydrophobicContact CD2-CD1 4.24Å; L305-F315 HydrophobicContact CD2-CD2 4Å; L305-F315 HydrophobicContact CD2-CG 3.68Å; L305-L327 HydrophobicContact CD1-CD2 4.41Å; L305-L331 HydrophobicContact CD1-CD1 4.46Å |
| 306 | K | 96.9 | Very high | 96.2 | Very high | 158 Ų | 158 | 57 Ų | 57 | 69% | 0.687 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -70.5 | -47.3 | 172 | -74.7 | 175.3 | 176.4 | -173.8 | 0 | 111.7 | T302 T303 E304 Y308 S309 | T302-K306 WeakPolarHBondContact O-CG 3.44Å; T302-K306 PolarHBondContact O-N 3.41Å; T303-K306 WeakPolarHBondContact O-CB 3.5Å; T303-K306 PolarHBondContact O-N 3.46Å; E304-K306 VanDerWaalsContact C-N 3.29Å; E304-K306 PolarHBondContact O-N 3.47Å; K306-Y308 VanDerWaalsContact C-N 3.35Å; K306-Y308 PolarHBondContact O-N 2.93Å; K306-S309 PolarHBondContact O-N 3.31Å; K306-S309 VanDerWaalsContact O-N 3.08Å |
| 307 | R | 96.7 | Very high | 96 | Very high | 159 Ų | 159 | 59.1 Ų | 59.1 | 60% | 0.6 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -53.4 | -47.6 | -177.2 | 174.8 | -178.3 | -76.5 | 154 | -6.5 | 112.5 | T303 E304 | T303-R307 WeakPolarHBondContact O-CB 3.49Å; T303-R307 PolarHBondContact O-N 2.88Å; E304-R307 VanDerWaalsContact CD-NH1 3.27Å; E304-R307 PolarHBondContact O-N 3.49Å; E304-R307 IonicContact OE1-NH1 2.89Å; E304-R307 PolarHBondContact OE1-NH1 3.32Å; E304-R307 IonicContact OE2-CZ 3.72Å; E304-R307 IonicContact OE2-NH1 3.79Å; E304-R307 PolarHBondContact OE2-NH1 3.14Å |
| 308 | Y | 95.4 | Very high | 95.8 | Very high | 61 Ų | 61 | 62.3 Ų | 62.3 | 24% | 0.239 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 14.7 | -179.9 | -55.7 | -74.7 | 0 | 0 | 0 | 113.4 | E304 K306 I310 E358 R361 M362 | E304-Y308 HydrophobicContact CG-CD2 4.2Å; E304-Y308 HydrophobicContact CG-CE2 3.87Å; E304-Y308 WeakPolarHBondContact O-CD2 3.45Å; E304-Y308 PolarHBondContact O-N 3Å; E304-Y308 VanDerWaalsContact OE1-CE2 3.3Å; E304-Y308 WeakPolarHBondContact OE1-CE2 3.43Å; K306-Y308 VanDerWaalsContact C-N 3.35Å; K306-Y308 PolarHBondContact O-N 2.93Å; Y308-I310 HydrophobicContact CD2-CD1 4.24Å; Y308-I310 HydrophobicContact CG-CD1 4.41Å; Y308-I310 PolarHBondContact O-N 2.95Å; Y308-I310 VanDerWaalsContact O-N 3.09Å; Y308-E358 VanDerWaalsContact CE1-CD 3.44Å; Y308-E358 HydrophobicContact CE1-CG 4.19Å; Y308-E358 WeakPolarHBondContact CE1-OE1 3.34Å; Y308-E358 WeakPolarHBondContact CE1-OE2 3.36Å; Y308-E358 VanDerWaalsContact OH-CD 3.27Å; Y308-E358 PolarHBondContact OH-OE2 3.44Å; Y308-R361 PolarHBondContact OH-NH2 3.39Å; Y308-M362 HydrophobicContact CD1-CE 4.4Å; Y308-M362 HydrophobicContact CG-CE 4.47Å |
| 309 | S | 95.7 | Very high | 95.6 | Very high | 102 Ų | 102 | 63.6 Ų | 63.6 | 71% | 0.713 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 30.7 | -178 | -62.6 | 0 | 0 | 0 | 0 | 115 | L305 K306 P311 | L305-S309 CarbonylContact O-C 3.53Å; L305-S309 PolarHBondContact O-N 2.88Å; K306-S309 PolarHBondContact O-N 3.31Å; K306-S309 VanDerWaalsContact O-N 3.08Å; S309-P311 VanDerWaalsContact O-CD 3.3Å; S309-P311 WeakPolarHBondContact O-CD 3.2Å |
| 310 | I | 94.9 | Very high | 95.4 | Very high | 17 Ų | 17 | 57.6 Ų | 57.6 | 9% | 0.087 | 29% | 0.285 | C | S | . | . | trans | -78.4 | 116.7 | -177.2 | -57.9 | 155.9 | 0 | 0 | 0 | 109.3 | L305 Y308 Q312 F315 W353 L365 | L305-I310 HydrophobicContact CD2-CB 3.65Å; L305-I310 HydrophobicContact CD2-CD1 4.05Å; L305-I310 HydrophobicContact CD2-CG1 4.49Å; L305-I310 HydrophobicContact CD2-CG2 3.59Å; L305-I310 PolarHBondContact O-N 3.32Å; Y308-I310 HydrophobicContact CD2-CD1 4.24Å; Y308-I310 HydrophobicContact CG-CD1 4.41Å; Y308-I310 PolarHBondContact O-N 2.95Å; Y308-I310 VanDerWaalsContact O-N 3.09Å; I310-Q312 PolarHBondContact O-N 3.39Å; I310-F315 HydrophobicContact CG2-CB 4.29Å; I310-W353 HydrophobicContact CD1-CH2 4.07Å; I310-W353 HydrophobicContact CD1-CZ2 4.15Å; I310-L365 HydrophobicContact CD1-CD1 3.65Å; I310-L365 HydrophobicContact CG1-CD1 3.94Å; I310-L365 HydrophobicContact CG2-CD1 4.11Å; I310-L365 HydrophobicContact CG2-CD2 4.01Å | ||
| 311 | P | 95.4 | Very high | 95.1 | Very high | 80 Ų | 80 | 55.8 Ų | 55.8 | 52% | 0.519 | 29% | 0.291 | S | S | . | . | trans | -65.7 | 136.4 | 179.5 | -19.2 | 32.1 | 0 | 0 | 0 | 111.3 | S309 A313 I314 F315 | S309-P311 VanDerWaalsContact O-CD 3.3Å; S309-P311 WeakPolarHBondContact O-CD 3.2Å; P311-A313 PolarHBondContact O-N 3.27Å; P311-I314 HydrophobicContact CB-CG1 4.17Å; P311-I314 HydrophobicContact CG-CG1 4.15Å; P311-I314 PolarHBondContact O-N 2.84Å; P311-F315 PolarHBondContact O-N 3.12Å | ||
| 312 | Q | 94.9 | Very high | 94.9 | Very high | 60 Ų | 60 | 61.4 Ų | 61.4 | 28% | 0.28 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -50.4 | -33.6 | 178.4 | -76.7 | -171.9 | -5.7 | 0 | 0 | 113.2 | L305 I310 A316 Q324 L327 S328 | L305-Q312 HydrophobicContact CD1-CG 4.35Å; I310-Q312 PolarHBondContact O-N 3.39Å; Q312-A316 WeakPolarHBondContact O-CB 3.37Å; Q312-A316 PolarHBondContact O-N 2.84Å; Q312-Q324 HydrophobicContact CB-CG 3.95Å; Q312-L327 HydrophobicContact CB-CD2 3.96Å; Q312-L327 HydrophobicContact CG-CD2 4.21Å; Q312-L327 VanDerWaalsContact O-CD2 3.3Å; Q312-L327 WeakPolarHBondContact O-CD2 3.04Å; Q312-S328 PolarHBondContact OE1-OG 3.25Å |
| 313 | A | 94.4 | Very high | 94.7 | Very high | 34 Ų | 34 | 62.5 Ų | 62.5 | 28% | 0.281 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P311 Q317 Q324 | P311-A313 PolarHBondContact O-N 3.27Å; A313-Q317 WeakPolarHBondContact O-CB 3.16Å; A313-Q317 WeakPolarHBondContact O-CG 3.15Å; A313-Q317 PolarHBondContact O-N 2.89Å; A313-Q317 VanDerWaalsContact O-N 3.12Å; A313-Q324 HydrophobicContact CB-CB 4.05Å; A313-Q324 HydrophobicContact CB-CG 4.15Å |
| 314 | I | 93.8 | Very high | 94.5 | Very high | 61 Ų | 61 | 62.6 Ų | 62.6 | 31% | 0.313 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.5 | -52.5 | 178.8 | -55 | -56.8 | 0 | 0 | 0 | 109.3 | P311 A316 Q317 R318 L365 | P311-I314 HydrophobicContact CB-CG1 4.17Å; P311-I314 HydrophobicContact CG-CG1 4.15Å; P311-I314 PolarHBondContact O-N 2.84Å; I314-A316 PolarHBondContact O-N 2.82Å; I314-Q317 PolarHBondContact O-N 2.99Å; I314-R318 HydrophobicContact CG2-CG 3.81Å; I314-R318 WeakPolarHBondContact O-CB 3.3Å; I314-R318 WeakPolarHBondContact O-CG 3.17Å; I314-R318 PolarHBondContact O-N 3.46Å; I314-L365 HydrophobicContact CG2-CD2 4.2Å |
| 315 | F | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 179.5 | -177.8 | -107.1 | 0 | 0 | 0 | 112.8 | I301 L305 I310 P311 Q317 R318 V319 L320 L327 M350 W353 L365 | I301-F315 HydrophobicContact CD1-CE1 4.01Å; I301-F315 HydrophobicContact CD1-CE2 4.39Å; I301-F315 HydrophobicContact CD1-CZ 3.6Å; I301-F315 HydrophobicContact CG2-CD1 4.3Å; I301-F315 HydrophobicContact CG2-CE1 3.85Å; I301-F315 HydrophobicContact CG2-CZ 4.47Å; L305-F315 HydrophobicContact CD1-CB 4.2Å; L305-F315 HydrophobicContact CD1-CD1 3.97Å; L305-F315 HydrophobicContact CD1-CG 4.2Å; L305-F315 HydrophobicContact CD2-CB 3.57Å; L305-F315 HydrophobicContact CD2-CD1 4.24Å; L305-F315 HydrophobicContact CD2-CD2 4Å; L305-F315 HydrophobicContact CD2-CG 3.68Å; I310-F315 HydrophobicContact CG2-CB 4.29Å; P311-F315 PolarHBondContact O-N 3.12Å; F315-Q317 VanDerWaalsContact C-N 3.34Å; F315-Q317 PolarHBondContact O-N 3.43Å; F315-R318 PolarHBondContact O-N 2.94Å; F315-V319 HydrophobicContact CD2-CB 3.84Å; F315-V319 HydrophobicContact CD2-CG1 4.44Å; F315-V319 HydrophobicContact CD2-CG2 3.59Å; F315-V319 HydrophobicContact CE2-CB 3.58Å; F315-V319 HydrophobicContact CE2-CG1 3.69Å; F315-V319 HydrophobicContact CE2-CG2 3.6Å; F315-V319 HydrophobicContact CZ-CB 4.15Å; F315-V319 HydrophobicContact CZ-CG1 4.03Å; F315-V319 PolarHBondContact O-N 3.3Å; F315-L320 HydrophobicContact CD1-CD1 4.18Å; F315-L320 HydrophobicContact CE1-CD1 3.76Å; F315-L320 HydrophobicContact CE1-CD2 4.39Å; F315-L320 HydrophobicContact CE1-CG 4.06Å; F315-L320 HydrophobicContact CZ-CD2 4.4Å; F315-L320 HydrophobicContact CZ-CG 4.42Å; F315-L327 HydrophobicContact CD1-CD1 4.27Å; F315-L327 HydrophobicContact CD1-CD2 3.8Å; F315-L327 HydrophobicContact CE1-CD1 4.38Å; F315-M350 HydrophobicContact CE1-CG 4.29Å; F315-M350 HydrophobicContact CZ-CG 4.44Å; F315-W353 HydrophobicContact CD2-CD2 4.38Å; F315-W353 HydrophobicContact CD2-CZ2 4.43Å; F315-W353 HydrophobicContact CE2-CB 4.45Å; F315-W353 AromaticContact CE2-CD2 3.51Å; F315-W353 HydrophobicContact CE2-CD2 3.51Å; F315-W353 AromaticContact CE2-CE2 3.86Å; F315-W353 AromaticContact CE2-CE3 3.68Å; F315-W353 HydrophobicContact CE2-CE3 3.68Å; F315-W353 AromaticContact CE2-CG 3.87Å; F315-W353 HydrophobicContact CE2-CG 3.87Å; F315-W353 HydrophobicContact CE2-CH2 4.45Å; F315-W353 HydrophobicContact CE2-CZ2 4.31Å; F315-W353 HydrophobicContact CE2-CZ3 4.15Å; F315-W353 HydrophobicContact CZ-CD2 4.27Å; F315-W353 HydrophobicContact CZ-CE3 4.11Å; F315-L365 HydrophobicContact CD2-CD2 4.28Å |
| 316 | A | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q312 I314 L320 C321 R322 L327 | Q312-A316 WeakPolarHBondContact O-CB 3.37Å; Q312-A316 PolarHBondContact O-N 2.84Å; I314-A316 PolarHBondContact O-N 2.82Å; A316-L320 CarbonylContact O-C 3.29Å; A316-C321 PolarHBondContact O-N 3.05Å; A316-R322 CarbonylContact C-O 3.6Å; A316-R322 VanDerWaalsContact C-O 3.29Å; A316-R322 WeakPolarHBondContact CB-O 3.24Å; A316-R322 PolarHBondContact O-N 3.27Å; A316-L327 HydrophobicContact CB-CB 3.81Å; A316-L327 HydrophobicContact CB-CD2 3.83Å; A316-L327 HydrophobicContact CB-CG 4.46Å |
| 317 | Q | 92.7 | Very high | 94.2 | Very high | 109 Ų | 109 | 58.3 Ų | 58.3 | 51% | 0.509 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -73.4 | -47.4 | 180 | -69.7 | 172 | 22.7 | 0 | 0 | 112.1 | A313 I314 F315 C321 | A313-Q317 WeakPolarHBondContact O-CB 3.16Å; A313-Q317 WeakPolarHBondContact O-CG 3.15Å; A313-Q317 PolarHBondContact O-N 2.89Å; A313-Q317 VanDerWaalsContact O-N 3.12Å; I314-Q317 PolarHBondContact O-N 2.99Å; F315-Q317 VanDerWaalsContact C-N 3.34Å; F315-Q317 PolarHBondContact O-N 3.43Å; Q317-C321 PolarHBondContact O-N 3.33Å |
| 318 | R | 90.8 | Very high | 94.2 | Very high | 71 Ų | 71 | 51.2 Ų | 51.2 | 27% | 0.268 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -79.3 | -42.8 | -168.1 | -63.6 | -67.6 | 170.5 | 99.7 | -9.1 | 113.5 | I314 F315 L365 R366 A368 A369 | I314-R318 HydrophobicContact CG2-CG 3.81Å; I314-R318 WeakPolarHBondContact O-CB 3.3Å; I314-R318 WeakPolarHBondContact O-CG 3.17Å; I314-R318 PolarHBondContact O-N 3.46Å; F315-R318 PolarHBondContact O-N 2.94Å; R318-L365 WeakPolarHBondContact CD-O 3.31Å; R318-L365 WeakPolarHBondContact CG-O 3.29Å; R318-L365 PolarHBondContact NH1-O 3.05Å; R318-R366 PolarHBondContact NH1-O 2.67Å; R318-A368 HydrophobicContact CB-CB 3.86Å; R318-A368 WeakPolarHBondContact CD-O 3.39Å; R318-A368 HydrophobicContact CG-CB 4.39Å; R318-A368 WeakPolarHBondContact O-CB 3.16Å; R318-A369 VanDerWaalsContact CZ-CA 3.46Å |
| 319 | V | 93.6 | Very high | 94.1 | Very high | 27 Ų | 27 | 51.6 Ų | 51.6 | 16% | 0.164 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -31.8 | -174.1 | -177 | 0 | 0 | 0 | 0 | 112.1 | F315 W353 L365 | F315-V319 HydrophobicContact CD2-CB 3.84Å; F315-V319 HydrophobicContact CD2-CG1 4.44Å; F315-V319 HydrophobicContact CD2-CG2 3.59Å; F315-V319 HydrophobicContact CE2-CB 3.58Å; F315-V319 HydrophobicContact CE2-CG1 3.69Å; F315-V319 HydrophobicContact CE2-CG2 3.6Å; F315-V319 HydrophobicContact CZ-CB 4.15Å; F315-V319 HydrophobicContact CZ-CG1 4.03Å; F315-V319 PolarHBondContact O-N 3.3Å; V319-W353 HydrophobicContact CG1-CB 3.91Å; V319-W353 HydrophobicContact CG1-CG 4.02Å; V319-W353 HydrophobicContact CG2-CG 4.49Å; V319-L365 HydrophobicContact CG2-CD2 4.2Å |
| 320 | L | 92.8 | Very high | 94 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -16.7 | -172.2 | -52.6 | -179.7 | 0 | 0 | 0 | 114.5 | F315 A316 R322 L327 T346 R349 M350 | F315-L320 HydrophobicContact CD1-CD1 4.18Å; F315-L320 HydrophobicContact CE1-CD1 3.76Å; F315-L320 HydrophobicContact CE1-CD2 4.39Å; F315-L320 HydrophobicContact CE1-CG 4.06Å; F315-L320 HydrophobicContact CZ-CD2 4.4Å; F315-L320 HydrophobicContact CZ-CG 4.42Å; A316-L320 CarbonylContact O-C 3.29Å; L320-R322 HydrophobicContact CB-CB 4.33Å; L320-R322 HydrophobicContact CB-CG 4.07Å; L320-L327 HydrophobicContact CD1-CD1 3.8Å; L320-T346 HydrophobicContact CB-CG2 4.49Å; L320-T346 HydrophobicContact CD1-CG2 4.14Å; L320-T346 HydrophobicContact CD2-CG2 4.37Å; L320-R349 HydrophobicContact CD2-CB 3.67Å; L320-M350 HydrophobicContact CD1-CE 3.62Å; L320-M350 HydrophobicContact CD1-CG 4.15Å; L320-M350 HydrophobicContact CD2-CG 3.9Å |
| 321 | C | 91.4 | Very high | 94.1 | Very high | 84 Ų | 84 | 48.6 Ų | 48.6 | 57% | 0.568 | 27% | 0.27 | S | S | * | . | trans | 52.2 | 50.5 | -168.6 | -59.6 | 0 | 0 | 0 | 0 | 112.4 | A316 Q317 | A316-C321 PolarHBondContact O-N 3.05Å; Q317-C321 PolarHBondContact O-N 3.33Å | ||
| 322 | R | 93.5 | Very high | 93.9 | Very high | 117 Ų | 117 | 52.1 Ų | 52.1 | 44% | 0.442 | 27% | 0.273 | S | S | . | . | trans | -131.9 | 165.9 | -179.3 | -63.7 | -62.4 | 173.4 | -112.2 | 9.3 | 111.8 | A316 L320 T326 | A316-R322 CarbonylContact C-O 3.6Å; A316-R322 VanDerWaalsContact C-O 3.29Å; A316-R322 WeakPolarHBondContact CB-O 3.24Å; A316-R322 PolarHBondContact O-N 3.27Å; L320-R322 HydrophobicContact CB-CB 4.33Å; L320-R322 HydrophobicContact CB-CG 4.07Å; R322-T326 HydrophobicContact CB-CG2 4.38Å | ||
| 323 | S | 94 | Very high | 93.7 | Very high | 65 Ų | 65 | 53.4 Ų | 53.4 | 46% | 0.455 | 28% | 0.281 | S | S | . | . | trans | -74.7 | 153.8 | 172.1 | 84.9 | 0 | 0 | 0 | 0 | 111.2 | G325 T326 L327 | S323-G325 VanDerWaalsContact C-N 3.26Å; S323-G325 PolarHBondContact O-N 3.01Å; S323-G325 PolarHBondContact OG-N 3.17Å; S323-T326 WeakPolarHBondContact O-CB 3.16Å; S323-T326 PolarHBondContact O-N 3.36Å; S323-T326 VanDerWaalsContact O-N 3.14Å; S323-T326 PolarHBondContact OG-N 2.83Å; S323-T326 VanDerWaalsContact OG-N 3.07Å; S323-T326 PolarHBondContact OG-OG1 3Å; S323-L327 PolarHBondContact O-N 3.43Å; S323-L327 VanDerWaalsContact O-N 3.13Å | ||
| 324 | Q | 94.1 | Very high | 93.6 | Very high | 79 Ų | 79 | 52.7 Ų | 52.7 | 37% | 0.369 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -54.4 | -45 | 173 | -177.4 | -80.8 | -24.1 | 0 | 0 | 111.1 | Q312 A313 T326 L327 S328 | Q312-Q324 HydrophobicContact CB-CG 3.95Å; A313-Q324 HydrophobicContact CB-CB 4.05Å; A313-Q324 HydrophobicContact CB-CG 4.15Å; Q324-T326 VanDerWaalsContact C-N 3.29Å; Q324-T326 PolarHBondContact O-N 3.35Å; Q324-L327 PolarHBondContact O-N 3.1Å; Q324-S328 PolarHBondContact NE2-OG 3.41Å; Q324-S328 WeakPolarHBondContact O-CB 3.2Å; Q324-S328 PolarHBondContact O-N 3.31Å |
| 325 | G | 93.9 | Very high | 93.5 | Very high | 38 Ų | 38 | 53.9 Ų | 53.9 | 39% | 0.392 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.5 | -36.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | S323 S328 D329 | S323-G325 VanDerWaalsContact C-N 3.26Å; S323-G325 PolarHBondContact O-N 3.01Å; S323-G325 PolarHBondContact OG-N 3.17Å; G325-S328 PolarHBondContact O-N 2.89Å; G325-D329 PolarHBondContact O-N 2.84Å |
| 326 | T | 93.6 | Very high | 93.3 | Very high | 59 Ų | 59 | 55.7 Ų | 55.7 | 36% | 0.362 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.3 | -47.2 | 174.3 | -49.3 | 0 | 0 | 0 | 0 | 111.5 | R322 S323 Q324 S328 D329 L330 | R322-T326 HydrophobicContact CB-CG2 4.38Å; S323-T326 WeakPolarHBondContact O-CB 3.16Å; S323-T326 PolarHBondContact O-N 3.36Å; S323-T326 VanDerWaalsContact O-N 3.14Å; S323-T326 PolarHBondContact OG-N 2.83Å; S323-T326 VanDerWaalsContact OG-N 3.07Å; S323-T326 PolarHBondContact OG-OG1 3Å; Q324-T326 VanDerWaalsContact C-N 3.29Å; Q324-T326 PolarHBondContact O-N 3.35Å; T326-S328 VanDerWaalsContact C-N 3.34Å; T326-D329 PolarHBondContact O-N 3.16Å; T326-L330 HydrophobicContact CG2-CD1 4.28Å; T326-L330 VanDerWaalsContact O-CG 3.31Å; T326-L330 WeakPolarHBondContact O-CG 3.48Å; T326-L330 PolarHBondContact O-N 3.02Å; T326-L330 VanDerWaalsContact O-N 3.14Å |
| 327 | L | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 174.6 | 174 | 64.9 | 0 | 0 | 0 | 111 | L305 Q312 F315 A316 L320 S323 Q324 D329 L330 L331 M350 | L305-L327 HydrophobicContact CD1-CD2 4.41Å; Q312-L327 HydrophobicContact CB-CD2 3.96Å; Q312-L327 HydrophobicContact CG-CD2 4.21Å; Q312-L327 VanDerWaalsContact O-CD2 3.3Å; Q312-L327 WeakPolarHBondContact O-CD2 3.04Å; F315-L327 HydrophobicContact CD1-CD1 4.27Å; F315-L327 HydrophobicContact CD1-CD2 3.8Å; F315-L327 HydrophobicContact CE1-CD1 4.38Å; A316-L327 HydrophobicContact CB-CB 3.81Å; A316-L327 HydrophobicContact CB-CD2 3.83Å; A316-L327 HydrophobicContact CB-CG 4.46Å; L320-L327 HydrophobicContact CD1-CD1 3.8Å; S323-L327 PolarHBondContact O-N 3.43Å; S323-L327 VanDerWaalsContact O-N 3.13Å; Q324-L327 PolarHBondContact O-N 3.1Å; L327-D329 VanDerWaalsContact C-N 3.29Å; L327-D329 PolarHBondContact O-N 2.85Å; L327-L330 PolarHBondContact O-N 3.34Å; L327-L330 VanDerWaalsContact O-N 3.16Å; L327-L331 HydrophobicContact CD1-CD1 3.72Å; L327-L331 HydrophobicContact CD1-CD2 4.08Å; L327-L331 HydrophobicContact CD1-CG 3.69Å; L327-L331 HydrophobicContact CD2-CD1 4.32Å; L327-L331 HydrophobicContact CG-CD1 3.79Å; L327-L331 HydrophobicContact CG-CG 4.11Å; L327-L331 WeakPolarHBondContact O-CG 3.33Å; L327-L331 PolarHBondContact O-N 3.09Å; L327-M350 HydrophobicContact CD1-CE 3.41Å; L327-M350 VanDerWaalsContact CD1-CE 3.41Å |
| 328 | S | 96.5 | Very high | 93 | Very high | 10 Ų | 10 | 55.5 Ų | 55.5 | 7% | 0.07 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.8 | -34 | -177.7 | -138.9 | 0 | 0 | 0 | 0 | 112.5 | Q312 Q324 G325 T326 R332 | Q312-S328 PolarHBondContact OE1-OG 3.25Å; Q324-S328 PolarHBondContact NE2-OG 3.41Å; Q324-S328 WeakPolarHBondContact O-CB 3.2Å; Q324-S328 PolarHBondContact O-N 3.31Å; G325-S328 PolarHBondContact O-N 2.89Å; T326-S328 VanDerWaalsContact C-N 3.34Å; S328-R332 VanDerWaalsContact C-NH2 3.28Å; S328-R332 WeakPolarHBondContact O-CG 3.36Å; S328-R332 PolarHBondContact O-N 3.36Å; S328-R332 PolarHBondContact O-NE 2.82Å; S328-R332 PolarHBondContact O-NH2 3.48Å; S328-R332 PolarHBondContact OG-NH1 3.32Å |
| 329 | D | 93 | Very high | 92.9 | Very high | 68 Ų | 68 | 56.9 Ų | 56.9 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69 | -46.7 | 172.4 | -151.9 | -139.2 | 0 | 0 | 0 | 111.3 | G325 T326 L327 L331 R332 N333 | G325-D329 PolarHBondContact O-N 2.84Å; T326-D329 PolarHBondContact O-N 3.16Å; L327-D329 VanDerWaalsContact C-N 3.29Å; L327-D329 PolarHBondContact O-N 2.85Å; D329-L331 PolarHBondContact O-N 3.37Å; D329-R332 PolarHBondContact O-N 3.03Å; D329-N333 PolarHBondContact O-N 3.03Å |
| 330 | L | 94.4 | Very high | 92.7 | Very high | 39 Ų | 39 | 56.5 Ų | 56.5 | 20% | 0.204 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.2 | -37.6 | 178.8 | -71.1 | 169.3 | 0 | 0 | 0 | 113.5 | T326 L327 P334 T346 F347 M350 | T326-L330 HydrophobicContact CG2-CD1 4.28Å; T326-L330 VanDerWaalsContact O-CG 3.31Å; T326-L330 WeakPolarHBondContact O-CG 3.48Å; T326-L330 PolarHBondContact O-N 3.02Å; T326-L330 VanDerWaalsContact O-N 3.14Å; L327-L330 PolarHBondContact O-N 3.34Å; L327-L330 VanDerWaalsContact O-N 3.16Å; L330-P334 WeakPolarHBondContact O-CA 3.46Å; L330-P334 WeakPolarHBondContact O-CB 3.33Å; L330-T346 HydrophobicContact CD1-CG2 3.84Å; L330-F347 HydrophobicContact CD2-CE2 3.95Å; L330-F347 HydrophobicContact CD2-CZ 4.31Å; L330-M350 HydrophobicContact CB-CE 4.44Å; L330-M350 HydrophobicContact CD1-CE 4.3Å |
| 331 | L | 95.1 | Very high | 92.5 | Very high | 18 Ų | 18 | 65.7 Ų | 65.7 | 9% | 0.094 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -77.7 | -28.5 | 179.7 | -64.4 | -179.1 | 0 | 0 | 0 | 113.1 | A298 I301 L305 L327 D329 M350 | A298-L331 HydrophobicContact CB-CD2 4.01Å; I301-L331 HydrophobicContact CB-CD2 3.97Å; I301-L331 HydrophobicContact CG2-CD1 4Å; I301-L331 HydrophobicContact CG2-CD2 3.7Å; L305-L331 HydrophobicContact CD1-CD1 4.46Å; L327-L331 HydrophobicContact CD1-CD1 3.72Å; L327-L331 HydrophobicContact CD1-CD2 4.08Å; L327-L331 HydrophobicContact CD1-CG 3.69Å; L327-L331 HydrophobicContact CD2-CD1 4.32Å; L327-L331 HydrophobicContact CG-CD1 3.79Å; L327-L331 HydrophobicContact CG-CG 4.11Å; L327-L331 WeakPolarHBondContact O-CG 3.33Å; L327-L331 PolarHBondContact O-N 3.09Å; D329-L331 PolarHBondContact O-N 3.37Å; L331-M350 HydrophobicContact CD2-CE 4.24Å |
| 332 | R | 93.3 | Very high | 92.3 | Very high | 154 Ų | 154 | 67 Ų | 67 | 58% | 0.581 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -81.7 | -41.4 | 176.7 | -77.6 | -172.4 | -65.4 | -90 | -7.4 | 113.1 | S328 D329 P334 | S328-R332 VanDerWaalsContact C-NH2 3.28Å; S328-R332 WeakPolarHBondContact O-CG 3.36Å; S328-R332 PolarHBondContact O-N 3.36Å; S328-R332 PolarHBondContact O-NE 2.82Å; S328-R332 PolarHBondContact O-NH2 3.48Å; S328-R332 PolarHBondContact OG-NH1 3.32Å; D329-R332 PolarHBondContact O-N 3.03Å; R332-P334 VanDerWaalsContact C-CD 3.43Å |
| 333 | N | 90.6 | Very high | 92.2 | Very high | 86 Ų | 86 | 62.4 Ų | 62.4 | 46% | 0.46 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -128.8 | 68.1 | -177.2 | -55.3 | -82 | 0 | 0 | 0 | 109.9 | D329 K335 | D329-N333 PolarHBondContact O-N 3.03Å; N333-K335 PolarHBondContact O-N 3.34Å |
| 334 | P | 92.2 | Very high | 92.2 | Very high | 20 Ų | 20 | 62.8 Ų | 62.8 | 13% | 0.13 | 33% | 0.333 | C | S | . | . | trans | -69.1 | 97.3 | 179.1 | 28.4 | -35 | 0 | 0 | 0 | 110.6 | T294 K295 A298 L330 R332 F347 | T294-P334 WeakPolarHBondContact O-CB 3.33Å; K295-P334 HydrophobicContact CG-CG 4.16Å; A298-P334 HydrophobicContact CB-CB 3.77Å; A298-P334 HydrophobicContact CB-CG 3.81Å; L330-P334 WeakPolarHBondContact O-CA 3.46Å; L330-P334 WeakPolarHBondContact O-CB 3.33Å; R332-P334 VanDerWaalsContact C-CD 3.43Å; P334-F347 HydrophobicContact CB-CE1 4.2Å; P334-F347 HydrophobicContact CB-CZ 3.95Å | ||
| 335 | K | 91.7 | Very high | 92.2 | Very high | 85 Ų | 85 | 62.5 Ų | 62.5 | 37% | 0.37 | 33% | 0.332 | S | S | . | . | trans | -48.5 | 141.1 | 172.6 | -63.7 | -171.8 | 74.8 | -149.9 | 0 | 111 | T294 N333 K339 L340 | T294-K335 WeakPolarHBondContact CB-O 3.3Å; T294-K335 PolarHBondContact OG1-O 3.33Å; N333-K335 PolarHBondContact O-N 3.34Å; K335-K339 PolarHBondContact NZ-O 3Å; K335-L340 HydrophobicContact CB-CD2 3.9Å; K335-L340 HydrophobicContact CD-CD2 4.42Å | ||
| 336 | P | 90.9 | Very high | 92.2 | Very high | 39 Ų | 39 | 61.2 Ų | 61.2 | 25% | 0.253 | 32% | 0.316 | S | S | . | . | trans | -64.1 | 145.1 | 178.4 | 26.3 | -34.7 | 0 | 0 | 0 | 111.6 | S338 K339 | P336-S338 VanDerWaalsContact C-N 3.34Å; P336-S338 PolarHBondContact O-N 3.14Å; P336-K339 HydrophobicContact CG-CB 4.21Å; P336-K339 HydrophobicContact CG-CD 3.84Å; P336-K339 HydrophobicContact CG-CG 4.09Å; P336-K339 WeakPolarHBondContact O-CA 3.29Å; P336-K339 PolarHBondContact O-N 3.4Å | ||
| 337 | W | 91.4 | Very high | 92.4 | Very high | 14 Ų | 14 | 58.4 Ų | 58.4 | 5% | 0.053 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -51.3 | -45 | -170.7 | -179.3 | -110.7 | 0 | 0 | 0 | 114.4 | E290 I292 T294 K339 L340 R344 F347 R348 | E290-W337 PolarHBondContact O-NE1 3.13Å; I292-W337 HydrophobicContact CB-CD2 4.39Å; I292-W337 HydrophobicContact CB-CE3 4.03Å; I292-W337 HydrophobicContact CB-CH2 4.14Å; I292-W337 HydrophobicContact CB-CZ2 4.48Å; I292-W337 HydrophobicContact CB-CZ3 3.91Å; I292-W337 HydrophobicContact CD1-CH2 3.9Å; I292-W337 HydrophobicContact CD1-CZ3 4.21Å; I292-W337 HydrophobicContact CG1-CH2 4.2Å; I292-W337 HydrophobicContact CG1-CZ3 4.42Å; T294-W337 HydrophobicContact CG2-CB 4.03Å; T294-W337 HydrophobicContact CG2-CE3 3.95Å; W337-K339 PolarHBondContact O-N 3.49Å; W337-L340 HydrophobicContact CE3-CD1 4.03Å; W337-L340 WeakPolarHBondContact O-CB 3.46Å; W337-L340 PolarHBondContact O-N 3Å; W337-R344 HydrophobicContact CD2-CG 4.14Å; W337-R344 HydrophobicContact CE3-CB 4.31Å; W337-R344 HydrophobicContact CE3-CG 3.96Å; W337-R344 HydrophobicContact CH2-CB 3.63Å; W337-R344 HydrophobicContact CH2-CG 3.91Å; W337-R344 HydrophobicContact CZ2-CB 4.2Å; W337-R344 HydrophobicContact CZ2-CG 4.08Å; W337-R344 HydrophobicContact CZ3-CB 3.68Å; W337-R344 HydrophobicContact CZ3-CG 3.84Å; W337-R344 PolarHBondContact O-NE 3.18Å; W337-F347 HydrophobicContact CZ3-CB 4.08Å; W337-R348 HydrophobicContact CH2-CG 3.97Å |
| 338 | S | 89.6 | Confident | 92.3 | Very high | 91 Ų | 91 | 62.1 Ų | 62.1 | 64% | 0.636 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -60.1 | -30.5 | 178.4 | -19.7 | 0 | 0 | 0 | 0 | 112.4 | P336 L340 | P336-S338 VanDerWaalsContact C-N 3.34Å; P336-S338 PolarHBondContact O-N 3.14Å; S338-L340 VanDerWaalsContact C-N 3.34Å |
| 339 | K | 89.2 | Confident | 92.2 | Very high | 100 Ų | 100 | 66.3 Ų | 66.3 | 44% | 0.435 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -89.6 | 12.1 | 176.4 | -58.3 | -178.5 | -172.9 | 163.6 | 0 | 113.1 | K335 P336 W337 | K335-K339 PolarHBondContact NZ-O 3Å; P336-K339 HydrophobicContact CG-CB 4.21Å; P336-K339 HydrophobicContact CG-CD 3.84Å; P336-K339 HydrophobicContact CG-CG 4.09Å; P336-K339 WeakPolarHBondContact O-CA 3.29Å; P336-K339 PolarHBondContact O-N 3.4Å; W337-K339 PolarHBondContact O-N 3.49Å |
| 340 | L | 90.1 | Very high | 92.3 | Very high | 18 Ų | 18 | 63 Ų | 63 | 9% | 0.094 | 31% | 0.31 | C | S | . | . | trans | -100.5 | 130.7 | 170.1 | -63.7 | 179.6 | 0 | 0 | 0 | 111.4 | T294 K335 W337 S338 R344 F347 | T294-L340 HydrophobicContact CG2-CD1 3.75Å; K335-L340 HydrophobicContact CB-CD2 3.9Å; K335-L340 HydrophobicContact CD-CD2 4.42Å; W337-L340 HydrophobicContact CE3-CD1 4.03Å; W337-L340 WeakPolarHBondContact O-CB 3.46Å; W337-L340 PolarHBondContact O-N 3Å; S338-L340 VanDerWaalsContact C-N 3.34Å; L340-R344 HydrophobicContact CB-CG 3.57Å; L340-R344 HydrophobicContact CD1-CG 4.35Å; L340-R344 PolarHBondContact O-NE 3.45Å; L340-F347 HydrophobicContact CD1-CD2 3.51Å; L340-F347 HydrophobicContact CD1-CE2 3.79Å; L340-F347 HydrophobicContact CD1-CG 4.41Å | ||
| 341 | K | 88.1 | Confident | 92.4 | Very high | 196 Ų | 196 | 65 Ų | 65 | 85% | 0.852 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -96.1 | -109.7 | 165.2 | -164.8 | 170.2 | -176.3 | 173.8 | 0 | 109.2 | G343 R344 | K341-G343 PolarHBondContact O-N 3.06Å; K341-R344 PolarHBondContact O-N 3.45Å |
| 342 | S | 88 | Confident | 92.4 | Very high | 110 Ų | 110 | 70.1 Ų | 70.1 | 77% | 0.769 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -16.8 | 176.5 | 51.8 | 0 | 0 | 0 | 0 | 115.2 | R344 | S342-R344 VanDerWaalsContact C-N 3.33Å; S342-R344 PolarHBondContact O-N 3.26Å |
| 343 | G | 90.9 | Very high | 92.5 | Very high | 22 Ų | 22 | 63 Ų | 63 | 23% | 0.227 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -23.7 | 176 | 0 | 0 | 0 | 0 | 0 | 115.2 | K341 E345 T346 | K341-G343 PolarHBondContact O-N 3.06Å; G343-E345 PolarHBondContact O-N 2.83Å; G343-T346 PolarHBondContact O-N 3.29Å |
| 344 | R | 93.9 | Very high | 92.7 | Very high | 73 Ų | 73 | 60.2 Ų | 60.2 | 28% | 0.275 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -53.2 | -42.1 | -178 | -71.1 | -172.2 | -170.8 | -159.5 | 1.9 | 112.2 | W337 L340 K341 S342 T346 F347 R348 | W337-R344 HydrophobicContact CD2-CG 4.14Å; W337-R344 HydrophobicContact CE3-CB 4.31Å; W337-R344 HydrophobicContact CE3-CG 3.96Å; W337-R344 HydrophobicContact CH2-CB 3.63Å; W337-R344 HydrophobicContact CH2-CG 3.91Å; W337-R344 HydrophobicContact CZ2-CB 4.2Å; W337-R344 HydrophobicContact CZ2-CG 4.08Å; W337-R344 HydrophobicContact CZ3-CB 3.68Å; W337-R344 HydrophobicContact CZ3-CG 3.84Å; W337-R344 PolarHBondContact O-NE 3.18Å; L340-R344 HydrophobicContact CB-CG 3.57Å; L340-R344 HydrophobicContact CD1-CG 4.35Å; L340-R344 PolarHBondContact O-NE 3.45Å; K341-R344 PolarHBondContact O-N 3.45Å; S342-R344 VanDerWaalsContact C-N 3.33Å; S342-R344 PolarHBondContact O-N 3.26Å; R344-T346 VanDerWaalsContact C-N 3.26Å; R344-T346 PolarHBondContact O-N 3.3Å; R344-F347 PolarHBondContact O-N 2.91Å; R344-F347 VanDerWaalsContact O-N 3.09Å; R344-R348 PolarHBondContact O-N 3.25Å |
| 345 | E | 93.6 | Very high | 92.9 | Very high | 73 Ų | 73 | 64.9 Ų | 64.9 | 34% | 0.341 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.5 | -28.7 | -179.5 | 178.7 | 55.2 | -164.4 | 0 | 0 | 113.8 | G343 R348 R349 | G343-E345 PolarHBondContact O-N 2.83Å; E345-R348 IonicContact OE2-NH1 3.88Å; E345-R349 WeakPolarHBondContact O-CG 3.49Å; E345-R349 PolarHBondContact O-N 3.01Å; E345-R349 IonicContact OE1-CZ 3.18Å; E345-R349 IonicContact OE1-NE 2.75Å; E345-R349 PolarHBondContact OE1-NE 3.48Å; E345-R349 IonicContact OE1-NH2 2.75Å; E345-R349 PolarHBondContact OE1-NH2 2.96Å |
| 346 | T | 95 | Very high | 93 | Very high | 11 Ų | 11 | 62.4 Ų | 62.4 | 7% | 0.067 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -72.1 | -37.6 | 175.7 | -53.3 | 0 | 0 | 0 | 0 | 110.8 | L320 L330 G343 R344 R349 M350 | L320-T346 HydrophobicContact CB-CG2 4.49Å; L320-T346 HydrophobicContact CD1-CG2 4.14Å; L320-T346 HydrophobicContact CD2-CG2 4.37Å; L330-T346 HydrophobicContact CD1-CG2 3.84Å; G343-T346 PolarHBondContact O-N 3.29Å; R344-T346 VanDerWaalsContact C-N 3.26Å; R344-T346 PolarHBondContact O-N 3.3Å; T346-R349 PolarHBondContact O-N 3.29Å; T346-M350 HydrophobicContact CG2-CE 4.32Å; T346-M350 WeakPolarHBondContact O-CG 3.47Å; T346-M350 PolarHBondContact O-N 3.34Å |
| 347 | F | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -71.8 | -34 | 172.9 | -78.4 | -84.4 | 0 | 0 | 0 | 112.8 | T294 V297 L330 P334 W337 L340 R344 R349 M350 W351 | T294-F347 HydrophobicContact CG2-CD1 3.97Å; T294-F347 HydrophobicContact CG2-CD2 4.12Å; T294-F347 HydrophobicContact CG2-CE1 4.1Å; T294-F347 HydrophobicContact CG2-CE2 4.23Å; T294-F347 HydrophobicContact CG2-CG 3.98Å; T294-F347 HydrophobicContact CG2-CZ 4.22Å; T294-F347 WeakPolarHBondContact O-CE1 3.39Å; V297-F347 HydrophobicContact CB-CD1 4.38Å; V297-F347 HydrophobicContact CG1-CD1 4.11Å; L330-F347 HydrophobicContact CD2-CE2 3.95Å; L330-F347 HydrophobicContact CD2-CZ 4.31Å; P334-F347 HydrophobicContact CB-CE1 4.2Å; P334-F347 HydrophobicContact CB-CZ 3.95Å; W337-F347 HydrophobicContact CZ3-CB 4.08Å; L340-F347 HydrophobicContact CD1-CD2 3.51Å; L340-F347 HydrophobicContact CD1-CE2 3.79Å; L340-F347 HydrophobicContact CD1-CG 4.41Å; R344-F347 PolarHBondContact O-N 2.91Å; R344-F347 VanDerWaalsContact O-N 3.09Å; F347-R349 VanDerWaalsContact C-N 3.3Å; F347-R349 PolarHBondContact O-N 3.41Å; F347-M350 HydrophobicContact CD1-SD 3.87Å; F347-M350 HydrophobicContact CE1-SD 4.12Å; F347-M350 HydrophobicContact CG-SD 4.4Å; F347-M350 WeakPolarHBondContact O-CB 3.41Å; F347-M350 PolarHBondContact O-N 3.23Å; F347-W351 WeakPolarHBondContact O-CB 3.27Å; F347-W351 PolarHBondContact O-N 3.18Å |
| 348 | R | 94.6 | Very high | 93.2 | Very high | 78 Ų | 78 | 67.5 Ų | 67.5 | 29% | 0.294 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.3 | -39.5 | 171.9 | -70.1 | -167.5 | -175.6 | 117.8 | -4.1 | 112.5 | I292 W337 R344 E345 K352 | I292-R348 HydrophobicContact CD1-CB 4.48Å; I292-R348 HydrophobicContact CD1-CG 3.81Å; W337-R348 HydrophobicContact CH2-CG 3.97Å; R344-R348 PolarHBondContact O-N 3.25Å; E345-R348 IonicContact OE2-NH1 3.88Å; R348-K352 VanDerWaalsContact O-CB 3.31Å; R348-K352 WeakPolarHBondContact O-CB 3.36Å; R348-K352 PolarHBondContact O-N 3.26Å |
| 349 | R | 94.4 | Very high | 93.3 | Very high | 97 Ų | 97 | 70.2 Ų | 70.2 | 37% | 0.366 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -70.4 | -39.3 | 176.8 | -67.6 | 172.3 | -163.6 | -166 | -1.5 | 112.6 | L320 E345 T346 F347 W353 | L320-R349 HydrophobicContact CD2-CB 3.67Å; E345-R349 WeakPolarHBondContact O-CG 3.49Å; E345-R349 PolarHBondContact O-N 3.01Å; E345-R349 IonicContact OE1-CZ 3.18Å; E345-R349 IonicContact OE1-NE 2.75Å; E345-R349 PolarHBondContact OE1-NE 3.48Å; E345-R349 IonicContact OE1-NH2 2.75Å; E345-R349 PolarHBondContact OE1-NH2 2.96Å; T346-R349 PolarHBondContact O-N 3.29Å; F347-R349 VanDerWaalsContact C-N 3.3Å; F347-R349 PolarHBondContact O-N 3.41Å; R349-W353 WeakPolarHBondContact O-CB 3.37Å; R349-W353 PolarHBondContact O-N 3.38Å |
| 350 | M | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.7 | -51.3 | 170.6 | -70.5 | 172.5 | 175.9 | 0 | 0 | 111.4 | V297 I301 F315 L320 L327 L330 L331 T346 F347 W353 L354 | V297-M350 HydrophobicContact CG1-CB 3.52Å; V297-M350 HydrophobicContact CG1-SD 4.27Å; I301-M350 HydrophobicContact CD1-CB 4.05Å; I301-M350 HydrophobicContact CD1-CG 4.41Å; I301-M350 HydrophobicContact CG1-CB 3.85Å; I301-M350 HydrophobicContact CG1-CG 4.09Å; I301-M350 HydrophobicContact CG1-SD 4.48Å; F315-M350 HydrophobicContact CE1-CG 4.29Å; F315-M350 HydrophobicContact CZ-CG 4.44Å; L320-M350 HydrophobicContact CD1-CE 3.62Å; L320-M350 HydrophobicContact CD1-CG 4.15Å; L320-M350 HydrophobicContact CD2-CG 3.9Å; L327-M350 HydrophobicContact CD1-CE 3.41Å; L327-M350 VanDerWaalsContact CD1-CE 3.41Å; L330-M350 HydrophobicContact CB-CE 4.44Å; L330-M350 HydrophobicContact CD1-CE 4.3Å; L331-M350 HydrophobicContact CD2-CE 4.24Å; T346-M350 HydrophobicContact CG2-CE 4.32Å; T346-M350 WeakPolarHBondContact O-CG 3.47Å; T346-M350 PolarHBondContact O-N 3.34Å; F347-M350 HydrophobicContact CD1-SD 3.87Å; F347-M350 HydrophobicContact CE1-SD 4.12Å; F347-M350 HydrophobicContact CG-SD 4.4Å; F347-M350 WeakPolarHBondContact O-CB 3.41Å; F347-M350 PolarHBondContact O-N 3.23Å; M350-W353 PolarHBondContact O-N 2.93Å; M350-L354 WeakPolarHBondContact O-CG 3.5Å; M350-L354 PolarHBondContact O-N 3.28Å |
| 351 | W | 95.3 | Very high | 93.6 | Very high | 81 Ų | 81 | 69.2 Ų | 69.2 | 31% | 0.307 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.1 | -49.6 | 179.6 | -178.6 | 85.3 | 0 | 0 | 0 | 111.4 | M289 I292 V297 F347 W353 L354 Q355 | M289-W351 HydrophobicContact CE-CZ3 4.28Å; I292-W351 HydrophobicContact CD1-CB 4.15Å; I292-W351 HydrophobicContact CD1-CD2 4.41Å; I292-W351 HydrophobicContact CD1-CG 4.21Å; I292-W351 HydrophobicContact CG2-CB 4.35Å; I292-W351 HydrophobicContact CG2-CG 4.47Å; V297-W351 HydrophobicContact CG1-CB 4.48Å; V297-W351 HydrophobicContact CG2-CB 4.14Å; V297-W351 HydrophobicContact CG2-CG 4.41Å; F347-W351 WeakPolarHBondContact O-CB 3.27Å; F347-W351 PolarHBondContact O-N 3.18Å; W351-W353 VanDerWaalsContact C-N 3.32Å; W351-W353 PolarHBondContact O-N 2.88Å; W351-L354 WeakPolarHBondContact O-CB 3.41Å; W351-L354 PolarHBondContact O-N 2.96Å; W351-Q355 HydrophobicContact CD2-CG 4.08Å; W351-Q355 HydrophobicContact CE3-CG 4.23Å; W351-Q355 HydrophobicContact CH2-CG 4.06Å; W351-Q355 HydrophobicContact CZ2-CG 3.88Å; W351-Q355 HydrophobicContact CZ3-CG 4.22Å; W351-Q355 WeakPolarHBondContact O-CG 3.42Å; W351-Q355 PolarHBondContact O-N 2.98Å; W351-Q355 VanDerWaalsContact O-N 3.09Å |
| 352 | K | 94.9 | Very high | 93.8 | Very high | 125 Ų | 125 | 63 Ų | 63 | 54% | 0.543 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -54.5 | -48.1 | 175.9 | -179.4 | 179.2 | 174.9 | -179.6 | 0 | 111.3 | R348 L354 Q355 E356 | R348-K352 VanDerWaalsContact O-CB 3.31Å; R348-K352 WeakPolarHBondContact O-CB 3.36Å; R348-K352 PolarHBondContact O-N 3.26Å; K352-L354 VanDerWaalsContact C-N 3.28Å; K352-L354 PolarHBondContact O-N 2.99Å; K352-Q355 CarbonylContact O-C 3.58Å; K352-Q355 WeakPolarHBondContact O-CA 3.48Å; K352-Q355 WeakPolarHBondContact O-CB 3.5Å; K352-Q355 PolarHBondContact O-N 3.07Å; K352-E356 WeakPolarHBondContact CE-OE1 3.39Å; K352-E356 WeakPolarHBondContact O-CG 3.5Å; K352-E356 PolarHBondContact O-N 2.93Å; K352-E356 VanDerWaalsContact O-N 3.14Å |
| 353 | W | 95.6 | Very high | 93.9 | Very high | 5 Ų | 5 | 59.4 Ų | 59.4 | 2% | 0.019 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63 | -32.9 | 178.9 | -179 | 84.7 | 0 | 0 | 0 | 112.4 | I301 E304 I310 F315 V319 R349 M350 W351 Q355 E356 R361 L365 | I301-W353 HydrophobicContact CD1-CE3 3.67Å; I301-W353 HydrophobicContact CD1-CZ3 3.92Å; E304-W353 HydrophobicContact CB-CH2 4.4Å; E304-W353 HydrophobicContact CB-CZ3 4.11Å; E304-W353 HydrophobicContact CG-CH2 4.16Å; E304-W353 HydrophobicContact CG-CZ3 4.03Å; I310-W353 HydrophobicContact CD1-CH2 4.07Å; I310-W353 HydrophobicContact CD1-CZ2 4.15Å; F315-W353 HydrophobicContact CD2-CD2 4.38Å; F315-W353 HydrophobicContact CD2-CZ2 4.43Å; F315-W353 HydrophobicContact CE2-CB 4.45Å; F315-W353 AromaticContact CE2-CD2 3.51Å; F315-W353 HydrophobicContact CE2-CD2 3.51Å; F315-W353 AromaticContact CE2-CE2 3.86Å; F315-W353 AromaticContact CE2-CE3 3.68Å; F315-W353 HydrophobicContact CE2-CE3 3.68Å; F315-W353 AromaticContact CE2-CG 3.87Å; F315-W353 HydrophobicContact CE2-CG 3.87Å; F315-W353 HydrophobicContact CE2-CH2 4.45Å; F315-W353 HydrophobicContact CE2-CZ2 4.31Å; F315-W353 HydrophobicContact CE2-CZ3 4.15Å; F315-W353 HydrophobicContact CZ-CD2 4.27Å; F315-W353 HydrophobicContact CZ-CE3 4.11Å; V319-W353 HydrophobicContact CG1-CB 3.91Å; V319-W353 HydrophobicContact CG1-CG 4.02Å; V319-W353 HydrophobicContact CG2-CG 4.49Å; R349-W353 WeakPolarHBondContact O-CB 3.37Å; R349-W353 PolarHBondContact O-N 3.38Å; M350-W353 PolarHBondContact O-N 2.93Å; W351-W353 VanDerWaalsContact C-N 3.32Å; W351-W353 PolarHBondContact O-N 2.88Å; W353-Q355 VanDerWaalsContact C-N 3.31Å; W353-Q355 PolarHBondContact O-N 3.44Å; W353-E356 PolarHBondContact O-N 2.97Å; W353-R361 HydrophobicContact CD2-CG 4.19Å; W353-R361 HydrophobicContact CG-CG 4.41Å; W353-R361 HydrophobicContact CZ2-CB 3.83Å; W353-R361 HydrophobicContact CZ2-CG 4.26Å; W353-R361 PolarHBondContact NE1-O 3.2Å; W353-R361 WeakPolarHBondContact O-CD 3.42Å; W353-R361 WeakPolarHBondContact O-CG 3.45Å; W353-L365 HydrophobicContact CZ2-CD1 4.28Å |
| 354 | L | 95.6 | Very high | 93.7 | Very high | 27 Ų | 27 | 59.7 Ų | 59.7 | 14% | 0.141 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.4 | -31.3 | 171.6 | -72 | 169.7 | 0 | 0 | 0 | 113.1 | V297 R300 I301 E304 M350 W351 K352 E356 | V297-L354 HydrophobicContact CG1-CD1 4.35Å; R300-L354 HydrophobicContact CB-CD1 3.55Å; R300-L354 HydrophobicContact CB-CD2 4.14Å; I301-L354 HydrophobicContact CD1-CD1 4.03Å; I301-L354 HydrophobicContact CD1-CD2 3.91Å; I301-L354 HydrophobicContact CD1-CG 3.71Å; I301-L354 HydrophobicContact CG1-CD1 4.05Å; I301-L354 HydrophobicContact CG1-CG 4.3Å; E304-L354 HydrophobicContact CB-CD2 4.18Å; E304-L354 HydrophobicContact CG-CD2 4.19Å; M350-L354 WeakPolarHBondContact O-CG 3.5Å; M350-L354 PolarHBondContact O-N 3.28Å; W351-L354 WeakPolarHBondContact O-CB 3.41Å; W351-L354 PolarHBondContact O-N 2.96Å; K352-L354 VanDerWaalsContact C-N 3.28Å; K352-L354 PolarHBondContact O-N 2.99Å; L354-E356 VanDerWaalsContact C-N 3.34Å |
| 355 | Q | 94.9 | Very high | 93.5 | Very high | 118 Ų | 118 | 56.8 Ų | 56.8 | 55% | 0.551 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -80.2 | -11.1 | 176.2 | -57.2 | -57.8 | 110.4 | 0 | 0 | 113.5 | W351 K352 W353 | W351-Q355 HydrophobicContact CD2-CG 4.08Å; W351-Q355 HydrophobicContact CE3-CG 4.23Å; W351-Q355 HydrophobicContact CH2-CG 4.06Å; W351-Q355 HydrophobicContact CZ2-CG 3.88Å; W351-Q355 HydrophobicContact CZ3-CG 4.22Å; W351-Q355 WeakPolarHBondContact O-CG 3.42Å; W351-Q355 PolarHBondContact O-N 2.98Å; W351-Q355 VanDerWaalsContact O-N 3.09Å; K352-Q355 CarbonylContact O-C 3.58Å; K352-Q355 WeakPolarHBondContact O-CA 3.48Å; K352-Q355 WeakPolarHBondContact O-CB 3.5Å; K352-Q355 PolarHBondContact O-N 3.07Å; W353-Q355 VanDerWaalsContact C-N 3.31Å; W353-Q355 PolarHBondContact O-N 3.44Å |
| 356 | E | 93.7 | Very high | 92.9 | Very high | 32 Ų | 32 | 60.9 Ų | 60.9 | 15% | 0.15 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -76 | 142.3 | 178.6 | -73.8 | 177.8 | 159 | 0 | 0 | 111.2 | K352 W353 L354 Q360 R361 | K352-E356 WeakPolarHBondContact CE-OE1 3.39Å; K352-E356 WeakPolarHBondContact O-CG 3.5Å; K352-E356 PolarHBondContact O-N 2.93Å; K352-E356 VanDerWaalsContact O-N 3.14Å; W353-E356 PolarHBondContact O-N 2.97Å; L354-E356 VanDerWaalsContact C-N 3.34Å; E356-Q360 HydrophobicContact CB-CB 4.29Å; E356-Q360 HydrophobicContact CB-CG 4.08Å; E356-Q360 HydrophobicContact CG-CG 4.13Å; E356-Q360 PolarHBondContact OE1-NE2 3.29Å; E356-R361 HydrophobicContact CB-CG 3.76Å; E356-R361 WeakPolarHBondContact O-CD 3.33Å; E356-R361 VanDerWaalsContact O-CG 3.24Å; E356-R361 WeakPolarHBondContact O-CG 3.35Å; E356-R361 PolarHBondContact O-NE 2.92Å; E356-R361 VanDerWaalsContact O-NE 3.12Å |
| 357 | P | 94.3 | Very high | 91.3 | Very high | 61 Ų | 61 | 66.8 Ų | 66.8 | 40% | 0.396 | 31% | 0.308 | S | S | . | . | trans | -63.8 | 153.7 | 175.9 | 28 | -34.9 | 0 | 0 | 0 | 110.7 | F359 Q360 R361 | P357-F359 VanDerWaalsContact C-N 3.31Å; P357-F359 HydrophobicContact CB-CD1 3.94Å; P357-F359 HydrophobicContact CB-CE1 3.56Å; P357-F359 HydrophobicContact CB-CZ 4.2Å; P357-F359 HydrophobicContact CG-CD1 4.16Å; P357-F359 HydrophobicContact CG-CE1 3.51Å; P357-F359 HydrophobicContact CG-CE2 4.33Å; P357-F359 HydrophobicContact CG-CZ 3.6Å; P357-F359 PolarHBondContact O-N 3.17Å; P357-F359 VanDerWaalsContact O-N 3.16Å; P357-Q360 HydrophobicContact CG-CB 3.93Å; P357-Q360 WeakPolarHBondContact O-CA 3.24Å; P357-Q360 WeakPolarHBondContact O-CB 3.15Å; P357-Q360 PolarHBondContact O-N 3.14Å; P357-R361 PolarHBondContact O-N 2.84Å | ||
| 358 | E | 92.9 | Very high | 89.4 | Confident | 99 Ų | 99 | 68.5 Ų | 68.5 | 46% | 0.463 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -54.9 | -41.6 | -169.3 | -171 | 172.5 | 134.2 | 0 | 0 | 114.1 | Y308 Q360 R361 M362 | Y308-E358 VanDerWaalsContact CE1-CD 3.44Å; Y308-E358 HydrophobicContact CE1-CG 4.19Å; Y308-E358 WeakPolarHBondContact CE1-OE1 3.34Å; Y308-E358 WeakPolarHBondContact CE1-OE2 3.36Å; Y308-E358 VanDerWaalsContact OH-CD 3.27Å; Y308-E358 PolarHBondContact OH-OE2 3.44Å; E358-Q360 VanDerWaalsContact C-N 3.25Å; E358-Q360 PolarHBondContact O-N 3.26Å; E358-R361 PolarHBondContact O-N 3.35Å; E358-R361 IonicContact OE2-NH2 2.98Å; E358-M362 WeakPolarHBondContact O-CB 3.33Å; E358-M362 PolarHBondContact O-N 3.09Å |
| 359 | F | 92.4 | Very high | 87.4 | Confident | 149 Ų | 149 | 67.2 Ų | 67.2 | 65% | 0.654 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61 | -34.4 | 177.4 | 69.4 | -95.3 | 0 | 0 | 0 | 112.6 | P357 S363 | P357-F359 VanDerWaalsContact C-N 3.31Å; P357-F359 HydrophobicContact CB-CD1 3.94Å; P357-F359 HydrophobicContact CB-CE1 3.56Å; P357-F359 HydrophobicContact CB-CZ 4.2Å; P357-F359 HydrophobicContact CG-CD1 4.16Å; P357-F359 HydrophobicContact CG-CE1 3.51Å; P357-F359 HydrophobicContact CG-CE2 4.33Å; P357-F359 HydrophobicContact CG-CZ 3.6Å; P357-F359 PolarHBondContact O-N 3.17Å; P357-F359 VanDerWaalsContact O-N 3.16Å; F359-S363 WeakPolarHBondContact O-CB 3.46Å; F359-S363 PolarHBondContact O-N 2.75Å |
| 360 | Q | 92.8 | Very high | 85.2 | Confident | 71 Ų | 71 | 68 Ų | 68 | 33% | 0.332 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -78 | -41.4 | 176.6 | -179.1 | 170.2 | -22.4 | 0 | 0 | 111.5 | E356 P357 E358 M362 S363 A364 | E356-Q360 HydrophobicContact CB-CB 4.29Å; E356-Q360 HydrophobicContact CB-CG 4.08Å; E356-Q360 HydrophobicContact CG-CG 4.13Å; E356-Q360 PolarHBondContact OE1-NE2 3.29Å; P357-Q360 HydrophobicContact CG-CB 3.93Å; P357-Q360 WeakPolarHBondContact O-CA 3.24Å; P357-Q360 WeakPolarHBondContact O-CB 3.15Å; P357-Q360 PolarHBondContact O-N 3.14Å; E358-Q360 VanDerWaalsContact C-N 3.25Å; E358-Q360 PolarHBondContact O-N 3.26Å; Q360-M362 PolarHBondContact O-N 3.32Å; Q360-S363 WeakPolarHBondContact CA-OG 3.47Å; Q360-S363 PolarHBondContact O-N 3.07Å; Q360-S363 VanDerWaalsContact O-N 3.1Å; Q360-S363 PolarHBondContact O-OG 3.27Å; Q360-S363 VanDerWaalsContact O-OG 3.05Å; Q360-A364 WeakPolarHBondContact O-CB 3.46Å; Q360-A364 PolarHBondContact O-N 3.43Å |
| 361 | R | 92.4 | Very high | 82.8 | Confident | 26 Ų | 26 | 77.2 Ų | 77.2 | 10% | 0.098 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -54.8 | -42.5 | 171.4 | -70 | -173.2 | -67.3 | 150.1 | 4.6 | 111.3 | E304 Y308 W353 E356 P357 E358 L365 | E304-R361 IonicContact OE1-CZ 2.67Å; E304-R361 IonicContact OE1-NH1 3.86Å; E304-R361 PolarHBondContact OE1-NH1 3.06Å; E304-R361 IonicContact OE1-NH2 3.05Å; Y308-R361 PolarHBondContact OH-NH2 3.39Å; W353-R361 HydrophobicContact CD2-CG 4.19Å; W353-R361 HydrophobicContact CG-CG 4.41Å; W353-R361 HydrophobicContact CZ2-CB 3.83Å; W353-R361 HydrophobicContact CZ2-CG 4.26Å; W353-R361 PolarHBondContact NE1-O 3.2Å; W353-R361 WeakPolarHBondContact O-CD 3.42Å; W353-R361 WeakPolarHBondContact O-CG 3.45Å; E356-R361 HydrophobicContact CB-CG 3.76Å; E356-R361 WeakPolarHBondContact O-CD 3.33Å; E356-R361 VanDerWaalsContact O-CG 3.24Å; E356-R361 WeakPolarHBondContact O-CG 3.35Å; E356-R361 PolarHBondContact O-NE 2.92Å; E356-R361 VanDerWaalsContact O-NE 3.12Å; P357-R361 PolarHBondContact O-N 2.84Å; E358-R361 PolarHBondContact O-N 3.35Å; E358-R361 IonicContact OE2-NH2 2.98Å; R361-L365 WeakPolarHBondContact O-CG 3.24Å |
| 362 | M | 92.4 | Very high | 80.3 | Confident | 65 Ų | 65 | 84.5 Ų | 84.5 | 32% | 0.32 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -78.8 | -23.9 | 178.4 | -159.7 | 61.8 | 71.9 | 0 | 0 | 113.5 | Y308 E358 Q360 L365 R366 | Y308-M362 HydrophobicContact CD1-CE 4.4Å; Y308-M362 HydrophobicContact CG-CE 4.47Å; E358-M362 WeakPolarHBondContact O-CB 3.33Å; E358-M362 PolarHBondContact O-N 3.09Å; Q360-M362 PolarHBondContact O-N 3.32Å; M362-L365 HydrophobicContact SD-CD1 4.15Å; M362-R366 WeakPolarHBondContact O-CG 3.4Å; M362-R366 PolarHBondContact O-NE 2.88Å |
| 363 | S | 89.1 | Confident | 77.8 | Confident | 35 Ų | 35 | 85.4 Ų | 85.4 | 25% | 0.245 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -77.6 | -38.9 | 172.8 | 78.4 | 0 | 0 | 0 | 0 | 111.6 | F359 Q360 L365 R366 L367 | F359-S363 WeakPolarHBondContact O-CB 3.46Å; F359-S363 PolarHBondContact O-N 2.75Å; Q360-S363 WeakPolarHBondContact CA-OG 3.47Å; Q360-S363 PolarHBondContact O-N 3.07Å; Q360-S363 VanDerWaalsContact O-N 3.1Å; Q360-S363 PolarHBondContact O-OG 3.27Å; Q360-S363 VanDerWaalsContact O-OG 3.05Å; S363-L365 VanDerWaalsContact C-N 3.32Å; S363-L365 PolarHBondContact O-N 3.49Å; S363-R366 PolarHBondContact O-N 2.69Å; S363-L367 WeakPolarHBondContact O-CB 3.42Å; S363-L367 WeakPolarHBondContact O-CG 3.39Å; S363-L367 PolarHBondContact O-N 3.23Å |
| 364 | A | 87.6 | Confident | 75.2 | Confident | 27 Ų | 27 | 94.4 Ų | 94.4 | 22% | 0.223 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -58.3 | -42 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q360 R366 A368 | Q360-A364 WeakPolarHBondContact O-CB 3.46Å; Q360-A364 PolarHBondContact O-N 3.43Å; A364-R366 VanDerWaalsContact C-N 3.32Å; A364-R366 PolarHBondContact O-N 3.16Å; A364-A368 WeakPolarHBondContact O-CB 3.26Å; A364-A368 PolarHBondContact O-N 2.98Å |
| 365 | L | 88.7 | Confident | 72.6 | Confident | 13 Ų | 13 | 100.1 Ų | 100.1 | 7% | 0.068 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -61.4 | -37.7 | 175 | -68.9 | 168.7 | 0 | 0 | 0 | 112.6 | I310 I314 F315 R318 V319 W353 R361 M362 S363 | I310-L365 HydrophobicContact CD1-CD1 3.65Å; I310-L365 HydrophobicContact CG1-CD1 3.94Å; I310-L365 HydrophobicContact CG2-CD1 4.11Å; I310-L365 HydrophobicContact CG2-CD2 4.01Å; I314-L365 HydrophobicContact CG2-CD2 4.2Å; F315-L365 HydrophobicContact CD2-CD2 4.28Å; R318-L365 WeakPolarHBondContact CD-O 3.31Å; R318-L365 WeakPolarHBondContact CG-O 3.29Å; R318-L365 PolarHBondContact NH1-O 3.05Å; V319-L365 HydrophobicContact CG2-CD2 4.2Å; W353-L365 HydrophobicContact CZ2-CD1 4.28Å; R361-L365 WeakPolarHBondContact O-CG 3.24Å; M362-L365 HydrophobicContact SD-CD1 4.15Å; S363-L365 VanDerWaalsContact C-N 3.32Å; S363-L365 PolarHBondContact O-N 3.49Å |
| 366 | R | 81.4 | Confident | 69.9 | Low | 158 Ų | 158 | 101.5 Ų | 101.5 | 60% | 0.596 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -75.4 | -57.5 | 178.3 | -73.2 | 177.7 | -79.3 | 172.5 | -3.9 | 111.9 | R318 M362 S363 A364 A368 A369 | R318-R366 PolarHBondContact NH1-O 2.67Å; M362-R366 WeakPolarHBondContact O-CG 3.4Å; M362-R366 PolarHBondContact O-NE 2.88Å; S363-R366 PolarHBondContact O-N 2.69Å; A364-R366 VanDerWaalsContact C-N 3.32Å; A364-R366 PolarHBondContact O-N 3.16Å; R366-A368 PolarHBondContact O-N 3.39Å; R366-A369 WeakPolarHBondContact O-CB 3.38Å; R366-A369 PolarHBondContact O-N 3.38Å |
| 367 | L | 61.8 | Low | 67.3 | Low | 136 Ų | 136 | 105.6 Ų | 105.6 | 71% | 0.712 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.6 | -29.2 | -168.9 | -68 | 167.3 | 0 | 0 | 0 | 114.1 | S363 A369 | S363-L367 WeakPolarHBondContact O-CB 3.42Å; S363-L367 WeakPolarHBondContact O-CG 3.39Å; S363-L367 PolarHBondContact O-N 3.23Å; L367-A369 PolarHBondContact O-N 3.45Å |
| 368 | A | 56.7 | Low | 65.1 | Low | 35 Ų | 35 | 106.2 Ų | 106.2 | 29% | 0.289 | 53% | 0.53 | S | S | . | . | G | 310 helix | trans | -71.7 | 9.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | R318 A364 R366 C370 | R318-A368 HydrophobicContact CB-CB 3.86Å; R318-A368 WeakPolarHBondContact CD-O 3.39Å; R318-A368 HydrophobicContact CG-CB 4.39Å; R318-A368 WeakPolarHBondContact O-CB 3.16Å; A364-A368 WeakPolarHBondContact O-CB 3.26Å; A364-A368 PolarHBondContact O-N 2.98Å; R366-A368 PolarHBondContact O-N 3.39Å; A368-C370 VanDerWaalsContact C-N 3.28Å; A368-C370 PolarHBondContact O-N 3.3Å |
| 369 | A | 51.6 | Low | 62.8 | Low | 51 Ų | 51 | 110.3 Ų | 110.3 | 42% | 0.421 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -56.5 | -40.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113 | R318 R366 L367 | R318-A369 VanDerWaalsContact CZ-CA 3.46Å; R366-A369 WeakPolarHBondContact O-CB 3.38Å; R366-A369 PolarHBondContact O-N 3.38Å; L367-A369 PolarHBondContact O-N 3.45Å |
| 370 | C | 48.3 | Very low | 60.2 | Low | 113 Ų | 113 | 110.6 Ų | 110.6 | 76% | 0.764 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -119.4 | 30.8 | -163.8 | -56.2 | 0 | 0 | 0 | 0 | 114.1 | A368 | A368-C370 VanDerWaalsContact C-N 3.28Å; A368-C370 PolarHBondContact O-N 3.3Å |
| 371 | K | 46.7 | Very low | 57.8 | Low | 195 Ų | 195 | 116.6 Ų | 116.6 | 85% | 0.848 | 57% | 0.574 | S | S | * | * | trans | -125.9 | 32.2 | 174.4 | -143.1 | 173.2 | -176 | 174.7 | 0 | 116 | ||||
| 372 | R | 43.4 | Very low | 55.4 | Low | 234 Ų | 234 | 118 Ų | 118 | 88% | 0.883 | 60% | 0.596 | S | S | * | * | S | Bend | -100.3 | 103.6 | 124.1 | -89.9 | -164.7 | -61.8 | 150.5 | 5.7 | 108.4 | |||
| 373 | K | 41.4 | Very low | 53.1 | Low | 144 Ų | 144 | 122.7 Ų | 122.7 | 63% | 0.626 | 62% | 0.623 | S | S | * | * | trans | -49.4 | 142 | 135.4 | -87.3 | -160 | -179.9 | -168 | 0 | 107.5 | Q375 | K373-Q375 HydrophobicContact CB-CB 3.98Å; K373-Q375 HydrophobicContact CD-CB 4.05Å; K373-Q375 VanDerWaalsContact CD-OE1 3.25Å | ||
| 374 | E | 40.8 | Very low | 51.6 | Low | 194 Ų | 194 | 126.5 Ų | 126.5 | 91% | 0.907 | 64% | 0.644 | S | S | * | * | cis | 55.4 | 39 | 30.8 | -146.6 | -177.5 | 141.3 | 0 | 0 | 112.2 | ||||
| 375 | Q | 42.3 | Very low | 50.4 | Low | 146 Ų | 146 | 130.8 Ų | 130.8 | 68% | 0.682 | 67% | 0.67 | S | S | * | * | trans | -143.3 | 114.7 | 164.4 | -165.3 | 150.9 | -13.8 | 0 | 0 | 104.7 | K373 | K373-Q375 HydrophobicContact CB-CB 3.98Å; K373-Q375 HydrophobicContact CD-CB 4.05Å; K373-Q375 VanDerWaalsContact CD-OE1 3.25Å | ||
| 376 | E | 37.5 | Very low | 49.8 | Very low | 147 Ų | 147 | 139.9 Ų | 139.9 | 69% | 0.687 | 71% | 0.709 | S | S | * | * | S | Bend | trans | 57.2 | 77.8 | -172.5 | -154.7 | -145 | 124.6 | 0 | 0 | 117.2 | ||
| 377 | H | 38.4 | Very low | 49.8 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 55% | 0.551 | 72% | 0.721 | S | S | * | * | -162.2 | 56.9 | 125.3 | -110.7 | 71.5 | 0 | 0 | 0 | 111.1 | |||||
| 378 | G | 49.1 | Very low | 51 | Low | 74 Ų | 74 | 141.2 Ų | 141.2 | 76% | 0.763 | 73% | 0.726 | S | S | * | * | trans | -105.7 | 43 | -174 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 379 | K | 43.3 | Very low | 52.5 | Low | 185 Ų | 185 | 150.7 Ų | 150.7 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -171.6 | 152.1 | 163.1 | -103 | 148.7 | -173.5 | 179.7 | 0 | 109.9 | R381 | K379-R381 PolarHBondContact O-N 3.2Å; K379-R381 VanDerWaalsContact O-N 3.16Å |
| 380 | D | 37.7 | Very low | 54.5 | Low | 154 Ų | 154 | 153 Ų | 153 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | trans | 23.7 | 68.6 | 169.3 | -69.8 | -89.4 | 0 | 0 | 0 | 119.1 | ||||
| 381 | R | 43.9 | Very low | 56.7 | Low | 198 Ų | 198 | 153.1 Ų | 153.1 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | trans | -116.7 | 87.6 | 142.4 | -73 | -161.5 | 171.1 | 160.4 | 3.7 | 109.5 | K379 | K379-R381 PolarHBondContact O-N 3.2Å; K379-R381 VanDerWaalsContact O-N 3.16Å | ||
| 382 | G | 42 | Very low | 59.1 | Low | 54 Ų | 54 | 146.1 Ų | 146.1 | 56% | 0.557 | 73% | 0.726 | S | S | * | * | trans | -52.5 | 160 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T384 | G382-T384 PolarHBondContact O-N 3.5Š| ||
| 383 | N | 43.8 | Very low | 61.6 | Low | 164 Ų | 164 | 138.3 Ų | 138.3 | 88% | 0.877 | 70% | 0.704 | S | S | * | * | trans | -67.2 | 68.4 | -171.5 | -174.3 | 32.8 | 0 | 0 | 0 | 113 | P385 | N383-P385 WeakPolarHBondContact O-CD 3.31Š| ||
| 384 | T | 56.9 | Low | 64.3 | Low | 115 Ų | 115 | 135.9 Ų | 135.9 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | trans | -66.8 | 117.2 | 177 | 44.9 | 0 | 0 | 0 | 0 | 109 | G382 K386 | G382-T384 PolarHBondContact O-N 3.5Å; T384-K386 PolarHBondContact O-N 2.91Å | ||
| 385 | P | 63.4 | Low | 66.9 | Low | 118 Ų | 118 | 130.9 Ų | 130.9 | 77% | 0.766 | 68% | 0.681 | S | S | * | * | trans | -62.4 | 117.8 | -179.1 | 24 | -32.5 | 0 | 0 | 0 | 108.7 | N383 K387 | N383-P385 WeakPolarHBondContact O-CD 3.31Å; P385-K387 PolarHBondContact O-N 3.45Å | ||
| 386 | K | 75.9 | Confident | 69.5 | Low | 204 Ų | 204 | 125.2 Ų | 125.2 | 89% | 0.887 | 65% | 0.654 | S | S | * | * | trans | -57.4 | 112 | -179.7 | -69.5 | 167.3 | -175.1 | 158.4 | 0 | 108 | T384 | T384-K386 PolarHBondContact O-N 2.91Š| ||
| 387 | K | 80.9 | Confident | 72.4 | Confident | 195 Ų | 195 | 123.6 Ų | 123.6 | 85% | 0.848 | 64% | 0.642 | S | S | * | * | trans | -42.9 | 122.4 | -174.2 | -66.5 | -172.3 | 177.2 | -172.5 | 0 | 110.1 | P385 R389 | P385-K387 PolarHBondContact O-N 3.45Å; K387-R389 PolarHBondContact O-N 3.13Å | ||
| 388 | P | 86.6 | Confident | 75.2 | Confident | 126 Ų | 126 | 126.3 Ų | 126.3 | 82% | 0.818 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 138.8 | -175.6 | 23.4 | -33.1 | 0 | 0 | 0 | 109.6 | L390 | P388-L390 PolarHBondContact O-N 2.98Š|
| 389 | R | 89.2 | Confident | 77.5 | Confident | 234 Ų | 234 | 125.2 Ų | 125.2 | 88% | 0.883 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 121.2 | -179.2 | -70.3 | -178.2 | 176.8 | 173.6 | 0 | 109 | K387 V391 | K387-R389 PolarHBondContact O-N 3.13Å; R389-V391 PolarHBondContact O-N 3.22Å |
| 390 | L | 93.9 | Very high | 80.1 | Confident | 101 Ų | 101 | 116.4 Ų | 116.4 | 53% | 0.529 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 127.8 | 169.2 | -174.6 | 153.3 | 0 | 0 | 0 | 109.4 | P388 F392 L424 T428 | P388-L390 PolarHBondContact O-N 2.98Å; L390-F392 HydrophobicContact CD2-CD1 3.92Å; L390-F392 HydrophobicContact CD2-CE1 3.88Å; L390-F392 HydrophobicContact CD2-CG 4.43Å; L390-F392 HydrophobicContact CD2-CZ 4.37Å; L390-L424 HydrophobicContact CD1-CD2 4.44Å; L390-L424 HydrophobicContact CD2-CD2 4.46Å; L390-T428 HydrophobicContact CD1-CG2 4.28Å; L390-T428 HydrophobicContact CD2-CG2 4.06Å |
| 391 | V | 93.6 | Very high | 82.9 | Confident | 114 Ų | 114 | 114 Ų | 114 | 69% | 0.691 | 57% | 0.571 | S | S | * | * | trans | -113.8 | 127.1 | 172.9 | 180 | 0 | 0 | 0 | 0 | 107.2 | R389 | R389-V391 PolarHBondContact O-N 3.22Š| ||
| 392 | F | 96.6 | Very high | 85.4 | Confident | 48 Ų | 48 | 107.3 Ų | 107.3 | 21% | 0.211 | 56% | 0.558 | C | S | . | * | trans | -68.3 | 135.7 | 176 | -64.3 | -64.8 | 0 | 0 | 0 | 111 | L390 Q396 R397 L400 L424 T428 F432 | L390-F392 HydrophobicContact CD2-CD1 3.92Å; L390-F392 HydrophobicContact CD2-CE1 3.88Å; L390-F392 HydrophobicContact CD2-CG 4.43Å; L390-F392 HydrophobicContact CD2-CZ 4.37Å; F392-Q396 HydrophobicContact CB-CB 4.25Å; F392-Q396 HydrophobicContact CD1-CB 4.28Å; F392-R397 HydrophobicContact CB-CB 4.3Å; F392-L400 HydrophobicContact CD1-CD1 4.05Å; F392-L400 HydrophobicContact CE1-CD1 3.82Å; F392-L400 HydrophobicContact CZ-CD1 4.12Å; F392-L424 HydrophobicContact CD1-CD1 4.03Å; F392-L424 HydrophobicContact CD1-CD2 4.14Å; F392-L424 HydrophobicContact CE1-CD1 3.75Å; F392-L424 HydrophobicContact CE1-CD2 4.01Å; F392-T428 HydrophobicContact CE1-CG2 3.51Å; F392-T428 HydrophobicContact CZ-CG2 3.59Å; F392-F432 HydrophobicContact CE2-CD2 4.01Å; F392-F432 HydrophobicContact CZ-CB 4.25Å; F392-F432 HydrophobicContact CZ-CD2 4.36Å | ||
| 393 | T | 97.1 | Very high | 88 | Confident | 70 Ų | 70 | 107 Ų | 107 | 43% | 0.429 | 54% | 0.543 | S | S | . | . | trans | -64.8 | 159.3 | 166.1 | 69.8 | 0 | 0 | 0 | 0 | 110.2 | V395 Q396 R397 | T393-V395 PolarHBondContact O-N 3.38Å; T393-V395 VanDerWaalsContact OG1-CG1 3.29Å; T393-V395 WeakPolarHBondContact OG1-CG1 3.43Å; T393-Q396 PolarHBondContact O-N 3.32Å; T393-Q396 VanDerWaalsContact O-N 3.17Å; T393-Q396 VanDerWaalsContact OG1-CG 3.26Å; T393-Q396 WeakPolarHBondContact OG1-CG 3.36Å; T393-Q396 PolarHBondContact OG1-N 2.75Å; T393-Q396 PolarHBondContact OG1-OE1 3.11Å; T393-R397 WeakPolarHBondContact O-CB 3.22Å; T393-R397 PolarHBondContact O-N 3.43Å | ||
| 394 | D | 96.8 | Very high | 90.5 | Very high | 94 Ų | 94 | 100.3 Ų | 100.3 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -74.9 | -13 | -175.2 | -60.3 | -58.4 | 0 | 0 | 0 | 114.3 | R397 R398 | D394-R397 IonicContact OD1-CZ 3.36Å; D394-R397 IonicContact OD1-NE 2.88Å; D394-R397 PolarHBondContact OD1-NE 2.96Å; D394-R397 IonicContact OD1-NH2 3.18Å; D394-R397 PolarHBondContact OD1-NH2 3.4Å; D394-R398 WeakPolarHBondContact O-CB 3.28Å; D394-R398 VanDerWaalsContact O-CG 3.24Å; D394-R398 WeakPolarHBondContact O-CG 3.4Å; D394-R398 PolarHBondContact O-N 2.81Å; D394-R398 PolarHBondContact O-NE 3.45Å |
| 395 | V | 96.4 | Very high | 92.3 | Very high | 88 Ų | 88 | 101.8 Ų | 101.8 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -74.2 | -52 | 163.3 | 58.2 | 0 | 0 | 0 | 0 | 110.8 | T393 R397 R398 T399 | T393-V395 PolarHBondContact O-N 3.38Å; T393-V395 VanDerWaalsContact OG1-CG1 3.29Å; T393-V395 WeakPolarHBondContact OG1-CG1 3.43Å; V395-R397 VanDerWaalsContact C-N 3.3Å; V395-R397 PolarHBondContact O-N 3.18Å; V395-R398 PolarHBondContact O-N 2.99Å; V395-T399 PolarHBondContact O-N 2.79Å; V395-T399 PolarHBondContact O-OG1 3Å; V395-T399 VanDerWaalsContact O-OG1 3.13Å |
| 396 | Q | 97.6 | Very high | 93.9 | Very high | 27 Ų | 27 | 103 Ų | 103 | 13% | 0.126 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -55.2 | -46.8 | 176 | -69.9 | 170.4 | -19.5 | 0 | 0 | 111.4 | F392 T393 L400 L422 L424 | F392-Q396 HydrophobicContact CB-CB 4.25Å; F392-Q396 HydrophobicContact CD1-CB 4.28Å; T393-Q396 PolarHBondContact O-N 3.32Å; T393-Q396 VanDerWaalsContact O-N 3.17Å; T393-Q396 VanDerWaalsContact OG1-CG 3.26Å; T393-Q396 WeakPolarHBondContact OG1-CG 3.36Å; T393-Q396 PolarHBondContact OG1-N 2.75Å; T393-Q396 PolarHBondContact OG1-OE1 3.11Å; Q396-L400 VanDerWaalsContact O-CB 3.28Å; Q396-L400 WeakPolarHBondContact O-CB 3.48Å; Q396-L400 WeakPolarHBondContact O-CG 3.34Å; Q396-L400 PolarHBondContact O-N 3.2Å; Q396-L422 HydrophobicContact CG-CB 4.23Å; Q396-L422 HydrophobicContact CG-CD2 4.42Å; Q396-L422 PolarHBondContact NE2-O 3.06Å; Q396-L424 HydrophobicContact CB-CD1 4.42Å; Q396-L424 HydrophobicContact CG-CD1 4.27Å; Q396-L424 HydrophobicContact CG-CG 4.48Å |
| 397 | R | 97.1 | Very high | 94.7 | Very high | 114 Ų | 114 | 96.2 Ų | 96.2 | 43% | 0.43 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.5 | -50.3 | 178.5 | -169.2 | -163.6 | -52.9 | -116.7 | -2.8 | 111.4 | F392 T393 D394 V395 H401 | F392-R397 HydrophobicContact CB-CB 4.3Å; T393-R397 WeakPolarHBondContact O-CB 3.22Å; T393-R397 PolarHBondContact O-N 3.43Å; D394-R397 IonicContact OD1-CZ 3.36Å; D394-R397 IonicContact OD1-NE 2.88Å; D394-R397 PolarHBondContact OD1-NE 2.96Å; D394-R397 IonicContact OD1-NH2 3.18Å; D394-R397 PolarHBondContact OD1-NH2 3.4Å; V395-R397 VanDerWaalsContact C-N 3.3Å; V395-R397 PolarHBondContact O-N 3.18Å; R397-H401 PolarHBondContact O-N 3.5Å; R397-H401 VanDerWaalsContact O-N 3.11Å; R397-H401 PolarHBondContact O-ND1 2.87Å |
| 398 | R | 97.4 | Very high | 95.4 | Very high | 176 Ų | 176 | 91.7 Ų | 91.7 | 66% | 0.664 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -65.9 | -47.1 | -178 | -77.4 | -178.4 | -68.6 | 171.9 | 0.2 | 111.5 | D394 V395 L400 H401 A402 | D394-R398 WeakPolarHBondContact O-CB 3.28Å; D394-R398 VanDerWaalsContact O-CG 3.24Å; D394-R398 WeakPolarHBondContact O-CG 3.4Å; D394-R398 PolarHBondContact O-N 2.81Å; D394-R398 PolarHBondContact O-NE 3.45Å; V395-R398 PolarHBondContact O-N 2.99Å; R398-L400 PolarHBondContact O-N 3.16Å; R398-H401 PolarHBondContact O-N 3.19Å; R398-A402 WeakPolarHBondContact O-CB 3.3Å; R398-A402 PolarHBondContact O-N 3.26Å |
| 399 | T | 97.1 | Very high | 95.8 | Very high | 51 Ų | 51 | 95.2 Ų | 95.2 | 31% | 0.313 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 178.3 | -54.9 | 0 | 0 | 0 | 0 | 111.9 | V395 H401 A402 I403 L422 | V395-T399 PolarHBondContact O-N 2.79Å; V395-T399 PolarHBondContact O-OG1 3Å; V395-T399 VanDerWaalsContact O-OG1 3.13Å; T399-H401 VanDerWaalsContact C-N 3.34Å; T399-H401 PolarHBondContact O-N 3.2Å; T399-A402 PolarHBondContact O-N 3.29Å; T399-I403 HydrophobicContact CG2-CD1 3.9Å; T399-I403 HydrophobicContact CG2-CG1 4.48Å; T399-I403 WeakPolarHBondContact O-CG1 3.42Å; T399-I403 PolarHBondContact O-N 2.75Å; T399-L422 HydrophobicContact CG2-CD1 4.4Å; T399-L422 HydrophobicContact CG2-CD2 4.07Å |
| 400 | L | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 84.3 Ų | 84.3 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.3 | -37.1 | 176.3 | -74.8 | 170.7 | 0 | 0 | 0 | 112.9 | F392 Q396 R398 F404 I418 L422 L424 V429 F432 F433 | F392-L400 HydrophobicContact CD1-CD1 4.05Å; F392-L400 HydrophobicContact CE1-CD1 3.82Å; F392-L400 HydrophobicContact CZ-CD1 4.12Å; Q396-L400 VanDerWaalsContact O-CB 3.28Å; Q396-L400 WeakPolarHBondContact O-CB 3.48Å; Q396-L400 WeakPolarHBondContact O-CG 3.34Å; Q396-L400 PolarHBondContact O-N 3.2Å; R398-L400 PolarHBondContact O-N 3.16Å; L400-F404 VanDerWaalsContact O-CB 3.29Å; L400-F404 WeakPolarHBondContact O-CB 3.23Å; L400-F404 PolarHBondContact O-N 2.75Å; L400-I418 HydrophobicContact CD2-CG2 3.71Å; L400-L422 HydrophobicContact CD1-CD1 4.32Å; L400-L422 HydrophobicContact CD2-CD1 3.89Å; L400-L422 HydrophobicContact CG-CD1 3.69Å; L400-L424 HydrophobicContact CD1-CD1 4.06Å; L400-V429 HydrophobicContact CD2-CG1 4.33Å; L400-F432 HydrophobicContact CB-CD1 3.91Å; L400-F432 HydrophobicContact CB-CD2 4.34Å; L400-F432 HydrophobicContact CB-CE1 3.64Å; L400-F432 HydrophobicContact CB-CE2 4.07Å; L400-F432 HydrophobicContact CB-CG 4.28Å; L400-F432 HydrophobicContact CB-CZ 3.72Å; L400-F432 HydrophobicContact CD1-CB 4.43Å; L400-F432 HydrophobicContact CD1-CD1 4.38Å; L400-F432 HydrophobicContact CD1-CD2 4.1Å; L400-F432 HydrophobicContact CD1-CG 4.03Å; L400-F432 HydrophobicContact CD2-CD1 4.05Å; L400-F432 HydrophobicContact CD2-CG 4.4Å; L400-F432 HydrophobicContact CG-CD1 4.34Å; L400-F432 HydrophobicContact CG-CG 4.48Å; L400-F432 WeakPolarHBondContact O-CE1 3.5Å; L400-F433 HydrophobicContact CD2-CE2 4.06Å; L400-F433 HydrophobicContact CD2-CZ 4.22Å |
| 401 | H | 97.1 | Very high | 96.3 | Very high | 104 Ų | 104 | 82.5 Ų | 82.5 | 48% | 0.481 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -74.3 | -36.8 | 175.7 | -74.9 | 80.1 | 0 | 0 | 0 | 112.8 | R397 R398 T399 F404 K405 F432 | R397-H401 PolarHBondContact O-N 3.5Å; R397-H401 VanDerWaalsContact O-N 3.11Å; R397-H401 PolarHBondContact O-ND1 2.87Å; R398-H401 PolarHBondContact O-N 3.19Å; T399-H401 VanDerWaalsContact C-N 3.34Å; T399-H401 PolarHBondContact O-N 3.2Å; H401-F404 CarbonylContact O-C 3.45Å; H401-F404 PolarHBondContact O-N 3.32Å; H401-K405 PolarHBondContact O-N 3.39Å; H401-F432 AromaticContact CE1-CE2 3.59Å; H401-F432 AromaticContact CE1-CZ 3.7Å; H401-F432 AromaticContact ND1-CE2 3.94Å; H401-F432 AromaticContact ND1-CZ 3.73Å |
| 402 | A | 96.7 | Very high | 96.4 | Very high | 57 Ų | 57 | 84.7 Ų | 84.7 | 47% | 0.471 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.1 | -49.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | R398 T399 F404 K405 E406 | R398-A402 WeakPolarHBondContact O-CB 3.3Å; R398-A402 PolarHBondContact O-N 3.26Å; T399-A402 PolarHBondContact O-N 3.29Å; A402-F404 VanDerWaalsContact C-N 3.29Å; A402-F404 PolarHBondContact O-N 3.34Å; A402-K405 WeakPolarHBondContact O-CA 3.35Å; A402-K405 VanDerWaalsContact O-CB 3.23Å; A402-K405 WeakPolarHBondContact O-CB 3.34Å; A402-K405 PolarHBondContact O-N 3.32Å; A402-E406 PolarHBondContact O-N 2.94Å |
| 403 | I | 96.4 | Very high | 96.5 | Very high | 47 Ų | 47 | 89.5 Ų | 89.5 | 24% | 0.241 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63.5 | -36.5 | 176.4 | -62.2 | 172.7 | 0 | 0 | 0 | 111.1 | T399 K405 E406 N407 I418 F433 | T399-I403 HydrophobicContact CG2-CD1 3.9Å; T399-I403 HydrophobicContact CG2-CG1 4.48Å; T399-I403 WeakPolarHBondContact O-CG1 3.42Å; T399-I403 PolarHBondContact O-N 2.75Å; I403-K405 VanDerWaalsContact C-N 3.27Å; I403-K405 PolarHBondContact O-N 2.69Å; I403-E406 PolarHBondContact O-N 2.96Å; I403-N407 PolarHBondContact O-N 2.9Å; I403-I418 HydrophobicContact CD1-CD1 3.83Å; I403-I418 HydrophobicContact CD1-CG1 3.74Å; I403-I418 HydrophobicContact CG2-CD1 3.81Å; I403-F433 HydrophobicContact CB-CZ 4.28Å; I403-F433 HydrophobicContact CG2-CE1 4.25Å; I403-F433 HydrophobicContact CG2-CZ 3.85Å |
| 404 | F | 96.6 | Very high | 96.4 | Very high | 23 Ų | 23 | 89.1 Ų | 89.1 | 10% | 0.101 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -69.6 | -20.5 | 173 | -176.9 | -113.6 | 0 | 0 | 0 | 113.8 | L400 H401 A402 K408 F432 F433 A436 R437 | L400-F404 VanDerWaalsContact O-CB 3.29Å; L400-F404 WeakPolarHBondContact O-CB 3.23Å; L400-F404 PolarHBondContact O-N 2.75Å; H401-F404 CarbonylContact O-C 3.45Å; H401-F404 PolarHBondContact O-N 3.32Å; A402-F404 VanDerWaalsContact C-N 3.29Å; A402-F404 PolarHBondContact O-N 3.34Å; F404-K408 HydrophobicContact CD2-CD 4.31Å; F404-K408 HydrophobicContact CE2-CB 4.18Å; F404-K408 HydrophobicContact CE2-CD 3.89Å; F404-K408 HydrophobicContact CZ-CD 4.06Å; F404-K408 WeakPolarHBondContact O-CD 3.48Å; F404-K408 PolarHBondContact O-NZ 3.34Å; F404-F432 HydrophobicContact CB-CE1 4.21Å; F404-F433 HydrophobicContact CB-CD1 4.22Å; F404-F433 HydrophobicContact CB-CE1 3.85Å; F404-F433 AromaticContact CD2-CD1 3.92Å; F404-F433 HydrophobicContact CD2-CD1 3.92Å; F404-F433 HydrophobicContact CD2-CE1 4.32Å; F404-F433 HydrophobicContact CG-CD1 4.48Å; F404-A436 HydrophobicContact CD1-CB 3.8Å; F404-A436 HydrophobicContact CD2-CB 3.9Å; F404-A436 HydrophobicContact CE1-CB 3.72Å; F404-A436 HydrophobicContact CE2-CB 3.82Å; F404-A436 HydrophobicContact CG-CB 3.88Å; F404-A436 HydrophobicContact CZ-CB 3.73Å; F404-R437 HydrophobicContact CE2-CG 3.81Å; F404-R437 HydrophobicContact CZ-CG 4.31Å |
| 405 | K | 94.9 | Very high | 96.5 | Very high | 147 Ų | 147 | 85.8 Ų | 85.8 | 64% | 0.639 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -67.1 | -49.3 | 171.9 | -170.3 | -173.1 | 162.7 | -136 | 0 | 109.8 | H401 A402 I403 K408 | H401-K405 PolarHBondContact O-N 3.39Å; A402-K405 WeakPolarHBondContact O-CA 3.35Å; A402-K405 VanDerWaalsContact O-CB 3.23Å; A402-K405 WeakPolarHBondContact O-CB 3.34Å; A402-K405 PolarHBondContact O-N 3.32Å; I403-K405 VanDerWaalsContact C-N 3.27Å; I403-K405 PolarHBondContact O-N 2.69Å; K405-K408 WeakPolarHBondContact O-CE 3.29Å; K405-K408 PolarHBondContact O-NZ 2.8Å |
| 406 | E | 95.7 | Very high | 96.5 | Very high | 143 Ų | 143 | 84.4 Ų | 84.4 | 67% | 0.668 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -80 | -45 | -176.3 | -48.6 | -45.7 | 129.6 | 0 | 0 | 112.5 | A402 I403 | A402-E406 PolarHBondContact O-N 2.94Å; I403-E406 PolarHBondContact O-N 2.96Å |
| 407 | N | 94.5 | Very high | 96.6 | Very high | 61 Ų | 61 | 86.7 Ų | 86.7 | 33% | 0.326 | 41% | 0.409 | S | S | . | . | trans | -123.8 | 110.2 | -178.8 | -167.2 | -23.5 | 0 | 0 | 0 | 112.7 | I403 R409 P410 | I403-N407 PolarHBondContact O-N 2.9Å; N407-R409 VanDerWaalsContact C-N 3.33Å; N407-R409 PolarHBondContact O-N 3.41Å; N407-R409 WeakPolarHBondContact OD1-CA 3.48Å; N407-R409 PolarHBondContact OD1-N 3.01Å; N407-R409 PolarHBondContact OD1-O 3.35Å; N407-P410 VanDerWaalsContact OD1-N 3.15Å | ||
| 408 | K | 94.6 | Very high | 96.5 | Very high | 101 Ų | 101 | 81.6 Ų | 81.6 | 44% | 0.439 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -72.7 | -23.5 | 178.1 | -47.8 | -57.9 | 164.6 | -162.5 | 0 | 113.4 | F404 K405 R437 | F404-K408 HydrophobicContact CD2-CD 4.31Å; F404-K408 HydrophobicContact CE2-CB 4.18Å; F404-K408 HydrophobicContact CE2-CD 3.89Å; F404-K408 HydrophobicContact CZ-CD 4.06Å; F404-K408 WeakPolarHBondContact O-CD 3.48Å; F404-K408 PolarHBondContact O-NZ 3.34Å; K405-K408 WeakPolarHBondContact O-CE 3.29Å; K405-K408 PolarHBondContact O-NZ 2.8Å; K408-R437 VanDerWaalsContact O-CD 3.25Å; K408-R437 WeakPolarHBondContact O-CD 3.37Å; K408-R437 WeakPolarHBondContact O-CG 3.39Å; K408-R437 PolarHBondContact O-NH1 2.92Å |
| 409 | R | 95.8 | Very high | 96.6 | Very high | 199 Ų | 199 | 73.8 Ų | 73.8 | 75% | 0.751 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -139 | 61.8 | -170.6 | -62.8 | -179.3 | 76.4 | 153.6 | 0.5 | 110.4 | N407 | N407-R409 VanDerWaalsContact C-N 3.33Å; N407-R409 PolarHBondContact O-N 3.41Å; N407-R409 WeakPolarHBondContact OD1-CA 3.48Å; N407-R409 PolarHBondContact OD1-N 3.01Å; N407-R409 PolarHBondContact OD1-O 3.35Å |
| 410 | P | 95.2 | Very high | 96.6 | Very high | 6 Ų | 6 | 78.1 Ų | 78.1 | 4% | 0.039 | 38% | 0.38 | C | S | . | . | trans | -57.1 | 143.8 | 178 | 25.1 | -35 | 0 | 0 | 0 | 111 | N407 L414 Q415 F433 | N407-P410 VanDerWaalsContact OD1-N 3.15Å; P410-L414 HydrophobicContact CB-CB 4.22Å; P410-L414 HydrophobicContact CB-CD2 3.65Å; P410-L414 HydrophobicContact CB-CG 3.9Å; P410-Q415 HydrophobicContact CB-CG 4.14Å; P410-Q415 HydrophobicContact CG-CG 3.89Å; P410-Q415 PolarHBondContact O-NE2 3.09Å; P410-F433 HydrophobicContact CG-CD1 3.85Å; P410-F433 HydrophobicContact CG-CD2 3.7Å; P410-F433 HydrophobicContact CG-CE1 3.9Å; P410-F433 HydrophobicContact CG-CE2 3.77Å; P410-F433 HydrophobicContact CG-CG 3.76Å; P410-F433 HydrophobicContact CG-CZ 3.88Å | ||
| 411 | S | 97.4 | Very high | 96.6 | Very high | 63 Ų | 63 | 85.7 Ų | 85.7 | 44% | 0.441 | 42% | 0.415 | S | S | . | . | trans | -61.9 | 165.6 | 178 | 66.2 | 0 | 0 | 0 | 0 | 111.6 | E413 L414 Q415 | S411-E413 PolarHBondContact O-N 3.3Å; S411-L414 PolarHBondContact O-N 2.79Å; S411-L414 WeakPolarHBondContact OG-CB 3.4Å; S411-L414 PolarHBondContact OG-N 3.47Å; S411-Q415 WeakPolarHBondContact O-CB 3.33Å; S411-Q415 VanDerWaalsContact O-CG 3.3Å; S411-Q415 WeakPolarHBondContact O-CG 3.27Å; S411-Q415 PolarHBondContact O-N 3.09Å | ||
| 412 | K | 96.8 | Very high | 96.6 | Very high | 159 Ų | 159 | 81.8 Ų | 81.8 | 69% | 0.691 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -58.6 | -40.5 | 175.2 | -175.4 | -175.5 | 175.5 | -170.3 | 0 | 111 | Q415 I416 | K412-Q415 PolarHBondContact O-N 2.78Å; K412-I416 HydrophobicContact CG-CD1 4.44Å; K412-I416 WeakPolarHBondContact O-CG1 3.45Å; K412-I416 PolarHBondContact O-N 3.2Å; K412-I416 VanDerWaalsContact O-N 3.08Å |
| 413 | E | 97.3 | Very high | 96.6 | Very high | 150 Ų | 150 | 82.4 Ų | 82.4 | 70% | 0.701 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62.4 | -52.3 | 175.7 | -179 | 174.4 | -145.5 | 0 | 0 | 112.3 | S411 Q415 I416 T417 | S411-E413 PolarHBondContact O-N 3.3Å; E413-Q415 PolarHBondContact O-N 2.94Å; E413-I416 WeakPolarHBondContact O-CA 3.4Å; E413-I416 VanDerWaalsContact O-CB 3.31Å; E413-I416 WeakPolarHBondContact O-CB 3.42Å; E413-I416 PolarHBondContact O-N 2.91Å; E413-T417 PolarHBondContact O-N 3.13Å; E413-T417 PolarHBondContact O-OG1 3.1Å |
| 414 | L | 96.5 | Very high | 96.6 | Very high | 61 Ų | 61 | 81.1 Ų | 81.1 | 32% | 0.319 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.4 | -33.9 | 176.2 | 178.5 | 56 | 0 | 0 | 0 | 111.8 | P410 S411 I416 T417 I418 | P410-L414 HydrophobicContact CB-CB 4.22Å; P410-L414 HydrophobicContact CB-CD2 3.65Å; P410-L414 HydrophobicContact CB-CG 3.9Å; S411-L414 PolarHBondContact O-N 2.79Å; S411-L414 WeakPolarHBondContact OG-CB 3.4Å; S411-L414 PolarHBondContact OG-N 3.47Å; L414-I416 VanDerWaalsContact C-N 3.33Å; L414-I416 PolarHBondContact O-N 3.13Å; L414-T417 PolarHBondContact O-N 3.38Å; L414-I418 HydrophobicContact CD1-CD1 4.09Å; L414-I418 HydrophobicContact CD1-CG1 4.27Å; L414-I418 HydrophobicContact CG-CD1 3.92Å; L414-I418 WeakPolarHBondContact O-CB 3.45Å; L414-I418 VanDerWaalsContact O-CD1 3.28Å; L414-I418 WeakPolarHBondContact O-CD1 3.26Å; L414-I418 WeakPolarHBondContact O-CG1 3.19Å; L414-I418 PolarHBondContact O-N 3.37Å |
| 415 | Q | 97.4 | Very high | 96.6 | Very high | 25 Ų | 25 | 86 Ų | 86 | 12% | 0.117 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -66.9 | -30.2 | 172.2 | -70.8 | 174 | 56.8 | 0 | 0 | 113.2 | P410 S411 K412 E413 S419 L426 V429 S430 F433 | P410-Q415 HydrophobicContact CB-CG 4.14Å; P410-Q415 HydrophobicContact CG-CG 3.89Å; P410-Q415 PolarHBondContact O-NE2 3.09Å; S411-Q415 WeakPolarHBondContact O-CB 3.33Å; S411-Q415 VanDerWaalsContact O-CG 3.3Å; S411-Q415 WeakPolarHBondContact O-CG 3.27Å; S411-Q415 PolarHBondContact O-N 3.09Å; K412-Q415 PolarHBondContact O-N 2.78Å; E413-Q415 PolarHBondContact O-N 2.94Å; Q415-S419 VanDerWaalsContact O-CB 3.3Å; Q415-S419 WeakPolarHBondContact O-CB 3.35Å; Q415-S419 PolarHBondContact O-N 3.44Å; Q415-L426 HydrophobicContact CB-CD1 3.7Å; Q415-V429 HydrophobicContact CB-CG1 4.17Å; Q415-V429 HydrophobicContact CG-CG1 4.25Å; Q415-S430 VanDerWaalsContact OE1-CA 3.23Å; Q415-S430 VanDerWaalsContact OE1-CB 3.25Å; Q415-F433 HydrophobicContact CG-CD2 4.28Å |
| 416 | I | 98.1 | Very high | 96.7 | Very high | 59 Ų | 59 | 81.6 Ų | 81.6 | 30% | 0.303 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -70 | -46.5 | 172.2 | -68.2 | 160.7 | 0 | 0 | 0 | 110.2 | K412 E413 L414 I418 S419 Q420 L426 | K412-I416 HydrophobicContact CG-CD1 4.44Å; K412-I416 WeakPolarHBondContact O-CG1 3.45Å; K412-I416 PolarHBondContact O-N 3.2Å; K412-I416 VanDerWaalsContact O-N 3.08Å; E413-I416 WeakPolarHBondContact O-CA 3.4Å; E413-I416 VanDerWaalsContact O-CB 3.31Å; E413-I416 WeakPolarHBondContact O-CB 3.42Å; E413-I416 PolarHBondContact O-N 2.91Å; L414-I416 VanDerWaalsContact C-N 3.33Å; L414-I416 PolarHBondContact O-N 3.13Å; I416-I418 VanDerWaalsContact C-N 3.28Å; I416-I418 PolarHBondContact O-N 3.24Å; I416-S419 PolarHBondContact O-N 3.49Å; I416-S419 VanDerWaalsContact O-N 3.12Å; I416-S419 PolarHBondContact O-OG 2.68Å; I416-S419 VanDerWaalsContact O-OG 3.05Å; I416-Q420 HydrophobicContact CG2-CG 4.42Å; I416-Q420 WeakPolarHBondContact O-CB 3.35Å; I416-Q420 WeakPolarHBondContact O-CG 3.43Å; I416-Q420 PolarHBondContact O-N 2.86Å; I416-L426 HydrophobicContact CD1-CD2 4.34Å; I416-L426 HydrophobicContact CG1-CD1 3.75Å; I416-L426 HydrophobicContact CG1-CD2 3.75Å; I416-L426 HydrophobicContact CG1-CG 4.33Å |
| 417 | T | 97.7 | Very high | 96.8 | Very high | 75 Ų | 75 | 77.8 Ų | 77.8 | 46% | 0.46 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -56.5 | -45 | 175 | -40.4 | 0 | 0 | 0 | 0 | 110.9 | E413 L414 Q421 | E413-T417 PolarHBondContact O-N 3.13Å; E413-T417 PolarHBondContact O-OG1 3.1Å; L414-T417 PolarHBondContact O-N 3.38Å; T417-Q421 VanDerWaalsContact O-CB 3.24Å; T417-Q421 WeakPolarHBondContact O-CB 3.28Å; T417-Q421 PolarHBondContact O-N 3.07Å |
| 418 | I | 97 | Very high | 96.9 | Very high | 7 Ų | 7 | 76.3 Ų | 76.3 | 4% | 0.036 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.5 | -39.1 | 177.4 | -67.4 | 162.7 | 0 | 0 | 0 | 111.6 | L400 I403 L414 I416 L422 V429 F433 | L400-I418 HydrophobicContact CD2-CG2 3.71Å; I403-I418 HydrophobicContact CD1-CD1 3.83Å; I403-I418 HydrophobicContact CD1-CG1 3.74Å; I403-I418 HydrophobicContact CG2-CD1 3.81Å; L414-I418 HydrophobicContact CD1-CD1 4.09Å; L414-I418 HydrophobicContact CD1-CG1 4.27Å; L414-I418 HydrophobicContact CG-CD1 3.92Å; L414-I418 WeakPolarHBondContact O-CB 3.45Å; L414-I418 VanDerWaalsContact O-CD1 3.28Å; L414-I418 WeakPolarHBondContact O-CD1 3.26Å; L414-I418 WeakPolarHBondContact O-CG1 3.19Å; L414-I418 PolarHBondContact O-N 3.37Å; I416-I418 VanDerWaalsContact C-N 3.28Å; I416-I418 PolarHBondContact O-N 3.24Å; I418-L422 HydrophobicContact CG2-CD1 3.82Å; I418-L422 HydrophobicContact CG2-CG 4.45Å; I418-L422 VanDerWaalsContact O-CB 3.27Å; I418-L422 WeakPolarHBondContact O-CB 3.12Å; I418-L422 WeakPolarHBondContact O-CG 3.43Å; I418-L422 PolarHBondContact O-N 3.17Å; I418-L422 VanDerWaalsContact O-N 3.13Å; I418-V429 HydrophobicContact CB-CG1 4.15Å; I418-V429 HydrophobicContact CG2-CG1 3.72Å; I418-V429 HydrophobicContact CG2-CG2 4.2Å; I418-F433 HydrophobicContact CD1-CE2 3.96Å; I418-F433 HydrophobicContact CD1-CZ 4.01Å |
| 419 | S | 97.9 | Very high | 97 | Very high | 12 Ų | 12 | 71.5 Ų | 71.5 | 8% | 0.084 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -69.2 | -41.9 | -179 | 81.2 | 0 | 0 | 0 | 0 | 111.2 | Q415 I416 G423 L424 | Q415-S419 VanDerWaalsContact O-CB 3.3Å; Q415-S419 WeakPolarHBondContact O-CB 3.35Å; Q415-S419 PolarHBondContact O-N 3.44Å; I416-S419 PolarHBondContact O-N 3.49Å; I416-S419 VanDerWaalsContact O-N 3.12Å; I416-S419 PolarHBondContact O-OG 2.68Å; I416-S419 VanDerWaalsContact O-OG 3.05Å; S419-G423 PolarHBondContact O-N 3.29Å; S419-L424 CarbonylContact C-O 3.57Å; S419-L424 WeakPolarHBondContact CB-O 3.26Å; S419-L424 PolarHBondContact O-N 3.32Å; S419-L424 VanDerWaalsContact O-O 3.09Å |
| 420 | Q | 97.7 | Very high | 97.1 | Very high | 142 Ų | 142 | 64 Ų | 64 | 66% | 0.664 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -60.5 | -55.4 | 171.4 | -69.7 | 169 | -17.7 | 0 | 0 | 111.7 | I416 L422 G423 | I416-Q420 HydrophobicContact CG2-CG 4.42Å; I416-Q420 WeakPolarHBondContact O-CB 3.35Å; I416-Q420 WeakPolarHBondContact O-CG 3.43Å; I416-Q420 PolarHBondContact O-N 2.86Å; Q420-L422 PolarHBondContact O-N 3.08Å; Q420-L422 VanDerWaalsContact O-N 3.1Å; Q420-G423 PolarHBondContact O-N 2.9Å |
| 421 | Q | 96.6 | Very high | 97.2 | Very high | 159 Ų | 159 | 67.6 Ų | 67.6 | 74% | 0.743 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.7 | -23.2 | -175.9 | -168.7 | 62.4 | 35.2 | 0 | 0 | 113.9 | T417 | T417-Q421 VanDerWaalsContact O-CB 3.24Å; T417-Q421 WeakPolarHBondContact O-CB 3.28Å; T417-Q421 PolarHBondContact O-N 3.07Å |
| 422 | L | 96.8 | Very high | 97.2 | Very high | 22 Ų | 22 | 65.7 Ų | 65.7 | 12% | 0.115 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -0.7 | -178.5 | -67.6 | -175.3 | 0 | 0 | 0 | 114.5 | Q396 T399 L400 I418 Q420 L424 | Q396-L422 HydrophobicContact CG-CB 4.23Å; Q396-L422 HydrophobicContact CG-CD2 4.42Å; Q396-L422 PolarHBondContact NE2-O 3.06Å; T399-L422 HydrophobicContact CG2-CD1 4.4Å; T399-L422 HydrophobicContact CG2-CD2 4.07Å; L400-L422 HydrophobicContact CD1-CD1 4.32Å; L400-L422 HydrophobicContact CD2-CD1 3.89Å; L400-L422 HydrophobicContact CG-CD1 3.69Å; I418-L422 HydrophobicContact CG2-CD1 3.82Å; I418-L422 HydrophobicContact CG2-CG 4.45Å; I418-L422 VanDerWaalsContact O-CB 3.27Å; I418-L422 WeakPolarHBondContact O-CB 3.12Å; I418-L422 WeakPolarHBondContact O-CG 3.43Å; I418-L422 PolarHBondContact O-N 3.17Å; I418-L422 VanDerWaalsContact O-N 3.13Å; Q420-L422 PolarHBondContact O-N 3.08Å; Q420-L422 VanDerWaalsContact O-N 3.1Å; L422-L424 VanDerWaalsContact C-N 3.33Å; L422-L424 HydrophobicContact CB-CB 4.45Å; L422-L424 HydrophobicContact CB-CD1 3.8Å; L422-L424 HydrophobicContact CB-CG 4.01Å; L422-L424 HydrophobicContact CD1-CD1 4.1Å |
| 423 | G | 96.7 | Very high | 97.2 | Very high | 69 Ų | 69 | 58.1 Ų | 58.1 | 71% | 0.711 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 42.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S419 Q420 | S419-G423 PolarHBondContact O-N 3.29Å; Q420-G423 PolarHBondContact O-N 2.9Å |
| 424 | L | 97.2 | Very high | 97.1 | Very high | 20 Ų | 20 | 55.8 Ų | 55.8 | 11% | 0.105 | 31% | 0.308 | C | S | . | . | trans | -122.3 | 152.7 | -175.9 | -72.9 | 174.8 | 0 | 0 | 0 | 111.5 | L390 F392 Q396 L400 S419 L422 T428 V429 | L390-L424 HydrophobicContact CD1-CD2 4.44Å; L390-L424 HydrophobicContact CD2-CD2 4.46Å; F392-L424 HydrophobicContact CD1-CD1 4.03Å; F392-L424 HydrophobicContact CD1-CD2 4.14Å; F392-L424 HydrophobicContact CE1-CD1 3.75Å; F392-L424 HydrophobicContact CE1-CD2 4.01Å; Q396-L424 HydrophobicContact CB-CD1 4.42Å; Q396-L424 HydrophobicContact CG-CD1 4.27Å; Q396-L424 HydrophobicContact CG-CG 4.48Å; L400-L424 HydrophobicContact CD1-CD1 4.06Å; S419-L424 CarbonylContact C-O 3.57Å; S419-L424 WeakPolarHBondContact CB-O 3.26Å; S419-L424 PolarHBondContact O-N 3.32Å; S419-L424 VanDerWaalsContact O-O 3.09Å; L422-L424 VanDerWaalsContact C-N 3.33Å; L422-L424 HydrophobicContact CB-CB 4.45Å; L422-L424 HydrophobicContact CB-CD1 3.8Å; L422-L424 HydrophobicContact CB-CG 4.01Å; L422-L424 HydrophobicContact CD1-CD1 4.1Å; L424-T428 HydrophobicContact CD2-CG2 4.33Å; L424-V429 HydrophobicContact CB-CG2 3.94Å; L424-V429 HydrophobicContact CD1-CG2 4.12Å | ||
| 425 | E | 97 | Very high | 97 | Very high | 127 Ų | 127 | 55.2 Ų | 55.2 | 59% | 0.593 | 31% | 0.306 | S | S | * | . | trans | -62.9 | 136.2 | 166.3 | -84.3 | -63.3 | 126.2 | 0 | 0 | 111.8 | S427 T428 V429 | E425-S427 PolarHBondContact O-N 3.42Å; E425-T428 WeakPolarHBondContact O-CA 3.25Å; E425-T428 WeakPolarHBondContact O-CB 3.41Å; E425-T428 PolarHBondContact O-N 2.9Å; E425-V429 PolarHBondContact O-N 2.88Å | ||
| 426 | L | 97 | Very high | 96.8 | Very high | 54 Ų | 54 | 54.7 Ų | 54.7 | 28% | 0.283 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -55.5 | -37.7 | 173.5 | 176.3 | 62.4 | 0 | 0 | 0 | 111.3 | Q415 I416 T428 V429 S430 | Q415-L426 HydrophobicContact CB-CD1 3.7Å; I416-L426 HydrophobicContact CD1-CD2 4.34Å; I416-L426 HydrophobicContact CG1-CD1 3.75Å; I416-L426 HydrophobicContact CG1-CD2 3.75Å; I416-L426 HydrophobicContact CG1-CG 4.33Å; L426-T428 VanDerWaalsContact C-N 3.32Å; L426-T428 PolarHBondContact O-N 2.88Å; L426-V429 PolarHBondContact O-N 3.2Å; L426-S430 WeakPolarHBondContact O-CB 3.36Å; L426-S430 PolarHBondContact O-N 3.36Å |
| 427 | S | 97 | Very high | 96.6 | Very high | 63 Ų | 63 | 55.8 Ų | 55.8 | 44% | 0.441 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62 | -38 | 174.7 | 67.5 | 0 | 0 | 0 | 0 | 112.1 | E425 N431 | E425-S427 PolarHBondContact O-N 3.42Å; S427-N431 VanDerWaalsContact O-CB 3.26Å; S427-N431 WeakPolarHBondContact O-CB 3.24Å; S427-N431 VanDerWaalsContact O-CG 3.29Å; S427-N431 PolarHBondContact O-N 3Å; S427-N431 PolarHBondContact O-ND2 2.9Å |
| 428 | T | 97 | Very high | 96.2 | Very high | 29 Ų | 29 | 58.2 Ų | 58.2 | 18% | 0.178 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.6 | -41.6 | 176.3 | -62.3 | 0 | 0 | 0 | 0 | 111.8 | L390 F392 L424 E425 L426 N431 F432 | L390-T428 HydrophobicContact CD1-CG2 4.28Å; L390-T428 HydrophobicContact CD2-CG2 4.06Å; F392-T428 HydrophobicContact CE1-CG2 3.51Å; F392-T428 HydrophobicContact CZ-CG2 3.59Å; L424-T428 HydrophobicContact CD2-CG2 4.33Å; E425-T428 WeakPolarHBondContact O-CA 3.25Å; E425-T428 WeakPolarHBondContact O-CB 3.41Å; E425-T428 PolarHBondContact O-N 2.9Å; L426-T428 VanDerWaalsContact C-N 3.32Å; L426-T428 PolarHBondContact O-N 2.88Å; T428-N431 PolarHBondContact O-N 3.17Å; T428-F432 PolarHBondContact O-N 3.46Å |
| 429 | V | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.3 | -46.4 | 175.9 | 176.2 | 0 | 0 | 0 | 0 | 111.2 | L400 Q415 I418 L424 E425 L426 N431 F432 F433 | L400-V429 HydrophobicContact CD2-CG1 4.33Å; Q415-V429 HydrophobicContact CB-CG1 4.17Å; Q415-V429 HydrophobicContact CG-CG1 4.25Å; I418-V429 HydrophobicContact CB-CG1 4.15Å; I418-V429 HydrophobicContact CG2-CG1 3.72Å; I418-V429 HydrophobicContact CG2-CG2 4.2Å; L424-V429 HydrophobicContact CB-CG2 3.94Å; L424-V429 HydrophobicContact CD1-CG2 4.12Å; E425-V429 PolarHBondContact O-N 2.88Å; L426-V429 PolarHBondContact O-N 3.2Å; V429-N431 PolarHBondContact O-N 3.22Å; V429-F432 WeakPolarHBondContact O-CB 3.3Å; V429-F432 PolarHBondContact O-N 3.02Å; V429-F432 VanDerWaalsContact O-N 3.17Å; V429-F433 HydrophobicContact CG1-CD2 3.81Å; V429-F433 HydrophobicContact CG1-CE2 3.6Å; V429-F433 VanDerWaalsContact O-CD2 3.26Å; V429-F433 WeakPolarHBondContact O-CD2 3.39Å; V429-F433 PolarHBondContact O-N 2.91Å |
| 430 | S | 97.3 | Very high | 95.2 | Very high | 43 Ų | 43 | 67 Ų | 67 | 30% | 0.301 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 174.7 | 180 | 0 | 0 | 0 | 0 | 112.3 | Q415 L426 F432 F433 M434 | Q415-S430 VanDerWaalsContact OE1-CA 3.23Å; Q415-S430 VanDerWaalsContact OE1-CB 3.25Å; L426-S430 WeakPolarHBondContact O-CB 3.36Å; L426-S430 PolarHBondContact O-N 3.36Å; S430-F432 VanDerWaalsContact C-N 3.33Å; S430-F432 PolarHBondContact O-N 2.81Å; S430-F433 PolarHBondContact O-N 2.98Å; S430-M434 WeakPolarHBondContact O-CB 3.5Å; S430-M434 PolarHBondContact O-N 2.87Å |
| 431 | N | 96.9 | Very high | 93.7 | Very high | 80 Ų | 80 | 65.1 Ų | 65.1 | 43% | 0.428 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.6 | -34.3 | 175.3 | -82.9 | -52.9 | 0 | 0 | 0 | 113.2 | S427 T428 V429 N435 | S427-N431 VanDerWaalsContact O-CB 3.26Å; S427-N431 WeakPolarHBondContact O-CB 3.24Å; S427-N431 VanDerWaalsContact O-CG 3.29Å; S427-N431 PolarHBondContact O-N 3Å; S427-N431 PolarHBondContact O-ND2 2.9Å; T428-N431 PolarHBondContact O-N 3.17Å; V429-N431 PolarHBondContact O-N 3.22Å; N431-N435 WeakPolarHBondContact O-CB 3.3Å; N431-N435 PolarHBondContact O-N 3.5Å; N431-N435 PolarHBondContact O-ND2 3.41Å |
| 432 | F | 97.3 | Very high | 91.9 | Very high | 24 Ų | 24 | 59.4 Ų | 59.4 | 11% | 0.105 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61 | -57.5 | 171.4 | 174.3 | -88.9 | 0 | 0 | 0 | 110.4 | F392 L400 H401 F404 T428 V429 S430 M434 N435 A436 | F392-F432 HydrophobicContact CE2-CD2 4.01Å; F392-F432 HydrophobicContact CZ-CB 4.25Å; F392-F432 HydrophobicContact CZ-CD2 4.36Å; L400-F432 HydrophobicContact CB-CD1 3.91Å; L400-F432 HydrophobicContact CB-CD2 4.34Å; L400-F432 HydrophobicContact CB-CE1 3.64Å; L400-F432 HydrophobicContact CB-CE2 4.07Å; L400-F432 HydrophobicContact CB-CG 4.28Å; L400-F432 HydrophobicContact CB-CZ 3.72Å; L400-F432 HydrophobicContact CD1-CB 4.43Å; L400-F432 HydrophobicContact CD1-CD1 4.38Å; L400-F432 HydrophobicContact CD1-CD2 4.1Å; L400-F432 HydrophobicContact CD1-CG 4.03Å; L400-F432 HydrophobicContact CD2-CD1 4.05Å; L400-F432 HydrophobicContact CD2-CG 4.4Å; L400-F432 HydrophobicContact CG-CD1 4.34Å; L400-F432 HydrophobicContact CG-CG 4.48Å; L400-F432 WeakPolarHBondContact O-CE1 3.5Å; H401-F432 AromaticContact CE1-CE2 3.59Å; H401-F432 AromaticContact CE1-CZ 3.7Å; H401-F432 AromaticContact ND1-CE2 3.94Å; H401-F432 AromaticContact ND1-CZ 3.73Å; F404-F432 HydrophobicContact CB-CE1 4.21Å; T428-F432 PolarHBondContact O-N 3.46Å; V429-F432 WeakPolarHBondContact O-CB 3.3Å; V429-F432 PolarHBondContact O-N 3.02Å; V429-F432 VanDerWaalsContact O-N 3.17Å; S430-F432 VanDerWaalsContact C-N 3.33Å; S430-F432 PolarHBondContact O-N 2.81Å; F432-M434 VanDerWaalsContact C-N 3.28Å; F432-M434 PolarHBondContact O-N 3.42Å; F432-N435 PolarHBondContact O-N 2.97Å; F432-N435 VanDerWaalsContact O-N 3.08Å; F432-A436 HydrophobicContact CE1-CB 4.09Å; F432-A436 HydrophobicContact CZ-CB 4.33Å; F432-A436 WeakPolarHBondContact O-CB 3.49Å; F432-A436 PolarHBondContact O-N 2.91Å |
| 433 | F | 96.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.3 | -33.4 | -176.9 | -74.8 | -68.7 | 0 | 0 | 0 | 112.8 | L400 I403 F404 P410 Q415 I418 V429 S430 R437 | L400-F433 HydrophobicContact CD2-CE2 4.06Å; L400-F433 HydrophobicContact CD2-CZ 4.22Å; I403-F433 HydrophobicContact CB-CZ 4.28Å; I403-F433 HydrophobicContact CG2-CE1 4.25Å; I403-F433 HydrophobicContact CG2-CZ 3.85Å; F404-F433 HydrophobicContact CB-CD1 4.22Å; F404-F433 HydrophobicContact CB-CE1 3.85Å; F404-F433 AromaticContact CD2-CD1 3.92Å; F404-F433 HydrophobicContact CD2-CD1 3.92Å; F404-F433 HydrophobicContact CD2-CE1 4.32Å; F404-F433 HydrophobicContact CG-CD1 4.48Å; P410-F433 HydrophobicContact CG-CD1 3.85Å; P410-F433 HydrophobicContact CG-CD2 3.7Å; P410-F433 HydrophobicContact CG-CE1 3.9Å; P410-F433 HydrophobicContact CG-CE2 3.77Å; P410-F433 HydrophobicContact CG-CG 3.76Å; P410-F433 HydrophobicContact CG-CZ 3.88Å; Q415-F433 HydrophobicContact CG-CD2 4.28Å; I418-F433 HydrophobicContact CD1-CE2 3.96Å; I418-F433 HydrophobicContact CD1-CZ 4.01Å; V429-F433 HydrophobicContact CG1-CD2 3.81Å; V429-F433 HydrophobicContact CG1-CE2 3.6Å; V429-F433 VanDerWaalsContact O-CD2 3.26Å; V429-F433 WeakPolarHBondContact O-CD2 3.39Å; V429-F433 PolarHBondContact O-N 2.91Å; S430-F433 PolarHBondContact O-N 2.98Å; F433-R437 WeakPolarHBondContact O-CG 3.34Å; F433-R437 PolarHBondContact O-N 3.47Å; F433-R437 VanDerWaalsContact O-N 3.13Å; F433-R437 PolarHBondContact O-NH1 2.81Å |
| 434 | M | 94.6 | Very high | 87.5 | Confident | 100 Ų | 100 | 71.6 Ų | 71.6 | 49% | 0.493 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.7 | -47 | 171.8 | -169.3 | -167.2 | -58.8 | 0 | 0 | 112 | S430 F432 R438 | S430-M434 WeakPolarHBondContact O-CB 3.5Å; S430-M434 PolarHBondContact O-N 2.87Å; F432-M434 VanDerWaalsContact C-N 3.28Å; F432-M434 PolarHBondContact O-N 3.42Å; M434-R438 WeakPolarHBondContact O-CB 3.38Å; M434-R438 PolarHBondContact O-N 3.05Å; M434-R438 VanDerWaalsContact O-N 3.09Å |
| 435 | N | 94.4 | Very high | 85 | Confident | 49 Ų | 49 | 75.4 Ų | 75.4 | 26% | 0.262 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -73.6 | -31.6 | 179.1 | -81.3 | -79.4 | 0 | 0 | 0 | 113.2 | N431 F432 R438 R439 | N431-N435 WeakPolarHBondContact O-CB 3.3Å; N431-N435 PolarHBondContact O-N 3.5Å; N431-N435 PolarHBondContact O-ND2 3.41Å; F432-N435 PolarHBondContact O-N 2.97Å; F432-N435 VanDerWaalsContact O-N 3.08Å; N435-R438 PolarHBondContact O-N 3.12Å; N435-R438 PolarHBondContact OD1-NE 2.8Å; N435-R438 VanDerWaalsContact OD1-NE 3.16Å; N435-R438 PolarHBondContact OD1-NH2 2.96Å; N435-R439 WeakPolarHBondContact O-CB 3.31Å; N435-R439 VanDerWaalsContact O-CG 3.3Å; N435-R439 WeakPolarHBondContact O-CG 3.39Å; N435-R439 PolarHBondContact O-N 2.92Å |
| 436 | A | 94.6 | Very high | 82.3 | Confident | 14 Ų | 14 | 74.5 Ų | 74.5 | 12% | 0.116 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.3 | -51.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | F404 F432 R438 R439 S440 | F404-A436 HydrophobicContact CD1-CB 3.8Å; F404-A436 HydrophobicContact CD2-CB 3.9Å; F404-A436 HydrophobicContact CE1-CB 3.72Å; F404-A436 HydrophobicContact CE2-CB 3.82Å; F404-A436 HydrophobicContact CG-CB 3.88Å; F404-A436 HydrophobicContact CZ-CB 3.73Å; F432-A436 HydrophobicContact CE1-CB 4.09Å; F432-A436 HydrophobicContact CZ-CB 4.33Å; F432-A436 WeakPolarHBondContact O-CB 3.49Å; F432-A436 PolarHBondContact O-N 2.91Å; A436-R438 VanDerWaalsContact C-N 3.33Å; A436-R438 PolarHBondContact O-N 3.35Å; A436-R439 PolarHBondContact O-N 3.4Å; A436-S440 WeakPolarHBondContact O-CB 3.36Å; A436-S440 PolarHBondContact O-N 2.81Å; A436-S440 PolarHBondContact O-OG 2.98Å |
| 437 | R | 93.8 | Very high | 79.3 | Confident | 83 Ų | 83 | 77.8 Ų | 77.8 | 31% | 0.313 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -56.6 | -43.3 | 172.1 | -73.4 | -171.1 | -66.4 | -85.8 | 0.7 | 112.9 | F404 K408 F433 R439 S440 | F404-R437 HydrophobicContact CE2-CG 3.81Å; F404-R437 HydrophobicContact CZ-CG 4.31Å; K408-R437 VanDerWaalsContact O-CD 3.25Å; K408-R437 WeakPolarHBondContact O-CD 3.37Å; K408-R437 WeakPolarHBondContact O-CG 3.39Å; K408-R437 PolarHBondContact O-NH1 2.92Å; F433-R437 WeakPolarHBondContact O-CG 3.34Å; F433-R437 PolarHBondContact O-N 3.47Å; F433-R437 VanDerWaalsContact O-N 3.13Å; F433-R437 PolarHBondContact O-NH1 2.81Å; R437-R439 VanDerWaalsContact C-N 3.28Å; R437-R439 PolarHBondContact O-N 3.07Å; R437-S440 PolarHBondContact O-N 3.19Å; R437-S440 PolarHBondContact O-OG 2.88Å; R437-S440 VanDerWaalsContact O-OG 3.09Å |
| 438 | R | 89.7 | Confident | 76.3 | Confident | 126 Ų | 126 | 77.7 Ų | 77.7 | 48% | 0.475 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.6 | -33.6 | 179.5 | -174.9 | -179.1 | 65.7 | 82.9 | -8.8 | 112.7 | M434 N435 A436 | M434-R438 WeakPolarHBondContact O-CB 3.38Å; M434-R438 PolarHBondContact O-N 3.05Å; M434-R438 VanDerWaalsContact O-N 3.09Å; N435-R438 PolarHBondContact O-N 3.12Å; N435-R438 PolarHBondContact OD1-NE 2.8Å; N435-R438 VanDerWaalsContact OD1-NE 3.16Å; N435-R438 PolarHBondContact OD1-NH2 2.96Å; A436-R438 VanDerWaalsContact C-N 3.33Å; A436-R438 PolarHBondContact O-N 3.35Å |
| 439 | R | 88.4 | Confident | 73.3 | Confident | 164 Ų | 164 | 82 Ų | 82 | 62% | 0.619 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -90.1 | -25.2 | -178.7 | -72.1 | 170.9 | 172.7 | 163.7 | -2.4 | 113.7 | N435 A436 R437 L441 | N435-R439 WeakPolarHBondContact O-CB 3.31Å; N435-R439 VanDerWaalsContact O-CG 3.3Å; N435-R439 WeakPolarHBondContact O-CG 3.39Å; N435-R439 PolarHBondContact O-N 2.92Å; A436-R439 PolarHBondContact O-N 3.4Å; R437-R439 VanDerWaalsContact C-N 3.28Å; R437-R439 PolarHBondContact O-N 3.07Å; R439-L441 VanDerWaalsContact C-N 3.3Å; R439-L441 PolarHBondContact O-N 3.38Å |
| 440 | S | 84.1 | Confident | 70.4 | Confident | 39 Ų | 39 | 86.4 Ų | 86.4 | 27% | 0.273 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -72.7 | -21.2 | -178.5 | 59.7 | 0 | 0 | 0 | 0 | 113.8 | A436 R437 W444 | A436-S440 WeakPolarHBondContact O-CB 3.36Å; A436-S440 PolarHBondContact O-N 2.81Å; A436-S440 PolarHBondContact O-OG 2.98Å; R437-S440 PolarHBondContact O-N 3.19Å; R437-S440 PolarHBondContact O-OG 2.88Å; R437-S440 VanDerWaalsContact O-OG 3.09Å; S440-W444 VanDerWaalsContact O-CD1 3.31Å |
| 441 | L | 66.7 | Low | 67.4 | Low | 102 Ų | 102 | 90.8 Ų | 90.8 | 53% | 0.534 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -31.9 | -171.1 | -172.6 | 61.2 | 0 | 0 | 0 | 114.2 | R439 | R439-L441 VanDerWaalsContact C-N 3.3Å; R439-L441 PolarHBondContact O-N 3.38Å |
| 442 | D | 59.5 | Low | 64.5 | Low | 40 Ų | 40 | 93.2 Ų | 93.2 | 21% | 0.214 | 48% | 0.484 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -20.7 | -176.5 | -68.4 | -81.8 | 0 | 0 | 0 | 113.2 | ||
| 443 | K | 54 | Low | 61.8 | Low | 147 Ų | 147 | 95 Ų | 95 | 64% | 0.639 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -71.3 | -30.1 | -178.2 | -95.4 | -165.1 | 161 | -114.6 | 0 | 115.5 | Q445 | K443-Q445 VanDerWaalsContact C-N 3.32Å; K443-Q445 PolarHBondContact O-N 3.08Å |
| 444 | W | 47.2 | Very low | 58.9 | Low | 200 Ų | 200 | 102 Ų | 102 | 76% | 0.758 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -87.6 | 8.6 | -171.2 | -65.9 | 95.7 | 0 | 0 | 0 | 114.8 | S440 | S440-W444 VanDerWaalsContact O-CD1 3.31Š|
| 445 | Q | 45.2 | Very low | 56 | Low | 99 Ų | 99 | 102.9 Ų | 102.9 | 46% | 0.463 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -100.1 | 4 | 173.5 | -76.4 | 164.8 | 114.6 | 0 | 0 | 113.1 | K443 | K443-Q445 VanDerWaalsContact C-N 3.32Å; K443-Q445 PolarHBondContact O-N 3.08Å |
| 446 | D | 38.6 | Very low | 53 | Low | 109 Ų | 109 | 105.1 Ų | 105.1 | 58% | 0.583 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | -57.3 | 176.5 | -118.3 | -84.9 | 0 | 0 | 0 | 110 | K295 G448 S449 | K295-D446 IonicContact NZ-OD2 3.85Å; D446-G448 PolarHBondContact O-N 3.23Å; D446-S449 PolarHBondContact O-N 3.38Å |
| 447 | E | 35.8 | Very low | 50.3 | Low | 123 Ų | 123 | 110.1 Ų | 110.1 | 58% | 0.575 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -14.3 | 178.3 | -45.6 | -76.9 | 143.8 | 0 | 0 | 114.4 | ||
| 448 | G | 33.7 | Very low | 47.4 | Very low | 61 Ų | 61 | 111.5 Ų | 111.5 | 63% | 0.629 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -9.9 | -175 | 0 | 0 | 0 | 0 | 0 | 115.5 | D446 | D446-G448 PolarHBondContact O-N 3.23Š|
| 449 | S | 33.3 | Very low | 44.7 | Very low | 118 Ų | 118 | 110.5 Ų | 110.5 | 83% | 0.825 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -116.9 | 3.9 | -175.8 | -63.1 | 0 | 0 | 0 | 0 | 114.1 | D446 | D446-S449 PolarHBondContact O-N 3.38Š|
| 450 | S | 37.7 | Very low | 42.3 | Very low | 94 Ų | 94 | 108.4 Ų | 108.4 | 66% | 0.657 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -128.3 | -2.8 | -168.3 | 47.7 | 0 | 0 | 0 | 0 | 115.1 | ||
| 451 | N | 32.9 | Very low | 40.1 | Very low | 134 Ų | 134 | 112.5 Ų | 112.5 | 72% | 0.717 | 69% | 0.685 | S | S | * | * | trans | -125.1 | 45.8 | -176.4 | -156.9 | 97.4 | 0 | 0 | 0 | 113.6 | ||||
| 452 | S | 35.9 | Very low | 38.6 | Very low | 131 Ų | 131 | 113.7 Ų | 113.7 | 92% | 0.916 | 70% | 0.701 | S | S | * | * | trans | -110.6 | 56.6 | 166.9 | -66.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 453 | G | 40.3 | Very low | 37.9 | Very low | 62 Ų | 62 | 118.4 Ų | 118.4 | 64% | 0.639 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -166.5 | 122.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 454 | N | 37.5 | Very low | 37.3 | Very low | 146 Ų | 146 | 121.5 Ų | 121.5 | 78% | 0.781 | 75% | 0.745 | S | S | * | * | trans | 59 | 74.8 | 165 | -154.4 | 89.2 | 0 | 0 | 0 | 118.5 | ||||
| 455 | S | 32.1 | Very low | 36.9 | Very low | 120 Ų | 120 | 120.4 Ų | 120.4 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | trans | -107.3 | 68.3 | 159.4 | 64.1 | 0 | 0 | 0 | 0 | 111.5 | S457 | S455-S457 PolarHBondContact O-N 2.95Š| ||
| 456 | S | 33.3 | Very low | 36.5 | Very low | 95 Ų | 95 | 121.5 Ų | 121.5 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | trans | -71.9 | 120.4 | 171.1 | 52.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 457 | S | 36.8 | Very low | 36.4 | Very low | 120 Ų | 120 | 122.2 Ų | 122.2 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | -74.9 | 127.7 | -173.6 | 53.6 | 0 | 0 | 0 | 0 | 113.9 | S455 | S455-S457 PolarHBondContact O-N 2.95Š| ||
| 458 | S | 33.4 | Very low | 36.4 | Very low | 111 Ų | 111 | 122.1 Ų | 122.1 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | trans | -114.8 | 93.4 | 165.5 | 46.1 | 0 | 0 | 0 | 0 | 110.7 | S460 | S458-S460 PolarHBondContact O-N 3.38Š| ||
| 459 | S | 33.4 | Very low | 36.5 | Very low | 105 Ų | 105 | 125.7 Ų | 125.7 | 73% | 0.734 | 83% | 0.829 | S | S | * | * | trans | -75.3 | 108 | 177.6 | 51.9 | 0 | 0 | 0 | 0 | 111.5 | T461 | S459-T461 PolarHBondContact O-N 3.3Š| ||
| 460 | S | 36.4 | Very low | 36.8 | Very low | 121 Ų | 121 | 126.2 Ų | 126.2 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | trans | -82.7 | 93 | 171.7 | -58.4 | 0 | 0 | 0 | 0 | 110.8 | S458 | S458-S460 PolarHBondContact O-N 3.38Š| ||
| 461 | T | 38.3 | Very low | 36.7 | Very low | 124 Ų | 124 | 128.3 Ų | 128.3 | 76% | 0.761 | 84% | 0.841 | S | S | * | * | trans | -72.9 | 131.3 | 171 | 37.2 | 0 | 0 | 0 | 0 | 110.8 | S459 | S459-T461 PolarHBondContact O-N 3.3Š| ||
| 462 | C | 36 | Very low | 37 | Very low | 128 Ų | 128 | 127.9 Ų | 127.9 | 87% | 0.865 | 85% | 0.85 | S | S | * | * | trans | -86.2 | 131 | 170.5 | 50.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 463 | T | 44.3 | Very low | 37 | Very low | 138 Ų | 138 | 127.7 Ų | 127.7 | 85% | 0.847 | 85% | 0.845 | S | S | * | * | trans | -120.8 | 119 | 170 | 34.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 464 | K | 42.2 | Very low | 36.8 | Very low | 213 Ų | 213 | 133.2 Ų | 133.2 | 93% | 0.926 | 86% | 0.862 | S | S | * | * | trans | -148.1 | 98.3 | 165.3 | -179.1 | 176.3 | 174.5 | 174.3 | 0 | 109.5 | ||||
| 465 | A | 37.6 | Very low | 36.7 | Very low | 177 Ų | 177 | 132 Ų | 132 | 100% | 1.463 | 87% | 0.869 | S | S | * | * | trans | -147.6 | 0 | 158.5 | 0 | 0 | 0 | 0 | 0 | 105.5 |
Retrieved 465 of 465 residues in 120.1 ms
(Link to these results)