| 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 | 35.9 | Very low | 42.4 | Very low | 232 Ų | 232 | 146.6 Ų | 146.6 | 100% | 1.143 | 82% | 0.822 | S | S | * | * | 0 | 111 | 0 | -66 | 160.2 | 70.2 | 0 | 0 | 106.5 | |||||
| 2 | I | 53.4 | Low | 41.5 | Very low | 162 Ų | 162 | 143.1 Ų | 143.1 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | cis | -126.7 | 140.5 | -6.3 | -66 | 172.4 | 0 | 0 | 0 | 106.6 | ||||
| 3 | N | 43.1 | Very low | 40.8 | Very low | 138 Ų | 138 | 143.8 Ų | 143.8 | 74% | 0.738 | 81% | 0.809 | S | S | * | * | trans | -99.2 | 151.6 | -178.7 | -64.2 | 3.3 | 0 | 0 | 0 | 111.2 | ||||
| 4 | P | 55 | Low | 40.2 | Very low | 115 Ų | 115 | 146.5 Ų | 146.5 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | trans | -72.8 | -169.8 | 153.1 | 38.7 | -37.7 | 0 | 0 | 0 | 109.2 | ||||
| 5 | P | 47.5 | Very low | 39.8 | Very low | 116 Ų | 116 | 147 Ų | 147 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | cis | -132.1 | -132.8 | 9.9 | 36.9 | -10.8 | 0 | 0 | 0 | 109.3 | ||||
| 6 | P | 47.9 | Very low | 39.2 | Very low | 110 Ų | 110 | 146.7 Ų | 146.7 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | cis | -131.8 | -175.3 | -20.5 | 34.9 | -13.6 | 0 | 0 | 0 | 115.6 | ||||
| 7 | E | 34.8 | Very low | 39.1 | Very low | 189 Ų | 189 | 146.7 Ų | 146.7 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -71.6 | 153.6 | 166.7 | -55 | 177.2 | 146 | 0 | 0 | 112.7 | ||||
| 8 | T | 41.8 | Very low | 38.9 | Very low | 141 Ų | 141 | 147.7 Ų | 147.7 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | trans | -141 | 147.3 | 159.6 | 50.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 9 | N | 31.5 | Very low | 38.6 | Very low | 155 Ų | 155 | 147.4 Ų | 147.4 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | trans | -135.1 | 124.3 | -170.2 | 179.6 | 10.2 | 0 | 0 | 0 | 110.2 | ||||
| 10 | S | 39 | Very low | 38.4 | Very low | 105 Ų | 105 | 144.3 Ų | 144.3 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | -158.2 | 94.4 | -178.5 | 59.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 11 | N | 36.7 | Very low | 38.4 | Very low | 150 Ų | 150 | 146.4 Ų | 146.4 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | trans | 30.7 | 121.6 | 133.1 | -60.1 | -27 | 0 | 0 | 0 | 121.1 | ||||
| 12 | S | 30.9 | Very low | 38.4 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | 22.4 | 123.9 | 124.1 | -173.8 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 13 | M | 32.8 | Very low | 37.4 | Very low | 152 Ų | 152 | 141 Ų | 141 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | -175.8 | 128.6 | 113.2 | -102.5 | -174.4 | 72.6 | 0 | 0 | 115.7 | |||||
| 14 | Y | 32.3 | Very low | 36.8 | Very low | 182 Ų | 182 | 141.7 Ų | 141.7 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | trans | 67.2 | 135.8 | 132.6 | -87.7 | -128.5 | 0 | 0 | 0 | 124.6 | ||||
| 15 | M | 34.8 | Very low | 35.9 | Very low | 154 Ų | 154 | 145.2 Ų | 145.2 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | 90.4 | 105.9 | 138.8 | -74.4 | -68.1 | -175.3 | 0 | 0 | 123.4 | ||||
| 16 | N | 29.3 | Very low | 35 | Very low | 142 Ų | 142 | 148.4 Ų | 148.4 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | -44.2 | 145 | 153.3 | -56 | -35 | 0 | 0 | 0 | 115.2 | ||||
| 17 | N | 37.2 | Very low | 34.3 | Very low | 147 Ų | 147 | 150.4 Ų | 150.4 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | trans | 171.8 | 151.6 | 146.9 | -94.7 | -47.2 | 0 | 0 | 0 | 109.3 | ||||
| 18 | K | 36.3 | Very low | 34.1 | Very low | 164 Ų | 164 | 146.4 Ų | 146.4 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | cis | -169.4 | 132.2 | -12.1 | -171.3 | 169.2 | -173.8 | 169.8 | 0 | 111.7 | ||||
| 19 | I | 33.4 | Very low | 33.6 | Very low | 142 Ų | 142 | 146.1 Ų | 146.1 | 73% | 0.728 | 78% | 0.783 | S | S | * | * | trans | 60.3 | 110.6 | 153.9 | -63.8 | 171.7 | 0 | 0 | 0 | 120.7 | ||||
| 20 | A | 34.8 | Very low | 33.6 | Very low | 85 Ų | 85 | 144.2 Ų | 144.2 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | trans | 11.7 | 147 | 139.2 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 21 | K | 37.3 | Very low | 33.4 | Very low | 190 Ų | 190 | 148.8 Ų | 148.8 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | -171.5 | 148.1 | 114.1 | -105.1 | 168.4 | -175 | 179.6 | 0 | 115.8 | |||||
| 22 | L | 36.2 | Very low | 33.2 | Very low | 141 Ų | 141 | 146 Ų | 146 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | 70.2 | 97.8 | 149.9 | -64.8 | 164.5 | 0 | 0 | 0 | 121.9 | ||||
| 23 | N | 32.9 | Very low | 33.5 | Very low | 138 Ų | 138 | 148.9 Ų | 148.9 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | 43.4 | 137 | 120.4 | -54.5 | 10.2 | 0 | 0 | 0 | 123.4 | |||||
| 24 | N | 31 | Very low | 33.3 | Very low | 154 Ų | 154 | 149 Ų | 149 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | 62.5 | 138.4 | 154.4 | -74.4 | 19.4 | 0 | 0 | 0 | 116.9 | ||||
| 25 | E | 35.8 | Very low | 33.5 | Very low | 188 Ų | 188 | 147.9 Ų | 147.9 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | cis | -138.4 | -178.4 | 26.9 | -70.8 | -178.8 | 116.8 | 0 | 0 | 113.9 | ||||
| 26 | Q | 28.9 | Very low | 33.5 | Very low | 183 Ų | 183 | 145.7 Ų | 145.7 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | -83.9 | 144.2 | 171.4 | -58.7 | 168.7 | -44 | 0 | 0 | 111.4 | ||||
| 27 | T | 33.3 | Very low | 33.5 | Very low | 152 Ų | 152 | 146.1 Ų | 146.1 | 93% | 0.933 | 80% | 0.803 | S | S | * | * | trans | -170.3 | 158.9 | 132.3 | 12.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 28 | S | 30.4 | Very low | 33.5 | Very low | 105 Ų | 105 | 144.8 Ų | 144.8 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | -93.1 | 164.6 | -172.9 | -47.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 29 | C | 30 | Very low | 33.2 | Very low | 136 Ų | 136 | 142 Ų | 142 | 92% | 0.919 | 80% | 0.797 | S | S | * | * | trans | -136.3 | 85.9 | 160.8 | -85.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 30 | S | 31.6 | Very low | 33.3 | Very low | 115 Ų | 115 | 142.7 Ų | 142.7 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 139 | 164 | -54.6 | 0 | 0 | 0 | 0 | 109.3 | ||
| 31 | Q | 35.3 | Very low | 33.3 | Very low | 201 Ų | 201 | 145.2 Ų | 145.2 | 94% | 0.939 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 130.1 | 169.2 | -73.7 | -176.8 | -16.7 | 0 | 0 | 110 | ||
| 32 | A | 32 | Very low | 33.1 | Very low | 90 Ų | 90 | 143.1 Ų | 143.1 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 154.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 33 | I | 36.8 | Very low | 33 | Very low | 166 Ų | 166 | 144.9 Ų | 144.9 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | -119 | 124.8 | 159 | -63.6 | 180 | 0 | 0 | 0 | 106.7 | ||||
| 34 | N | 28.9 | Very low | 32.7 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -72.3 | 135.8 | -178.7 | -82.3 | -25.7 | 0 | 0 | 0 | 111.8 | ||||
| 35 | I | 36.5 | Very low | 32.7 | Very low | 159 Ų | 159 | 144.2 Ų | 144.2 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | trans | -131 | 123.5 | 146.5 | -56.8 | -178.7 | 0 | 0 | 0 | 106.1 | ||||
| 36 | P | 36.3 | Very low | 32.6 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | trans | -78.2 | 147.3 | -172.7 | 31.4 | -35.1 | 0 | 0 | 0 | 112.3 | ||||
| 37 | N | 28 | Very low | 32.8 | Very low | 151 Ų | 151 | 139 Ų | 139 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | trans | -79.4 | 130.4 | 171.6 | -163.9 | 20.1 | 0 | 0 | 0 | 109.8 | ||||
| 38 | V | 37.5 | Very low | 33 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | trans | -123.9 | 99.9 | 173.7 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 39 | T | 29.6 | Very low | 33.3 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | trans | -69.1 | 139.6 | 164.4 | 48.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 40 | N | 35.6 | Very low | 33.8 | Very low | 156 Ų | 156 | 140.9 Ų | 140.9 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | trans | -154.8 | 128.5 | 150.9 | -100.5 | -26.9 | 0 | 0 | 0 | 109.6 | ||||
| 41 | D | 35.6 | Very low | 34 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | -83.7 | 155.2 | -176.9 | -66.2 | -85.6 | 0 | 0 | 0 | 113.3 | ||||
| 42 | N | 32.6 | Very low | 34.2 | Very low | 147 Ų | 147 | 136 Ų | 136 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | 14.5 | 110.4 | 145.3 | -57.2 | -53 | 0 | 0 | 0 | 118.3 | ||||
| 43 | M | 34.1 | Very low | 34.4 | Very low | 178 Ų | 178 | 139.8 Ų | 139.8 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | -147.1 | 128.5 | 135.5 | -149.6 | 156.5 | -68.6 | 0 | 0 | 113 | ||||
| 44 | T | 27.5 | Very low | 34.5 | Very low | 130 Ų | 130 | 135.2 Ų | 135.2 | 80% | 0.798 | 77% | 0.77 | S | S | * | * | trans | -75.8 | -172.5 | 169.2 | -13.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 45 | I | 30.6 | Very low | 34.8 | Very low | 148 Ų | 148 | 135 Ų | 135 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | 102.2 | 134.6 | 172.8 | -58.8 | 161.9 | 0 | 0 | 0 | 113 | ||||
| 46 | T | 33.2 | Very low | 34.9 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | cis | -160.4 | 155.1 | -24.6 | -89.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 47 | I | 33.5 | Very low | 34.9 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | trans | -71 | 140.6 | 175.2 | -59.8 | 159.3 | 0 | 0 | 0 | 110.7 | ||||
| 48 | D | 37.3 | Very low | 35.2 | Very low | 154 Ų | 154 | 134.1 Ų | 134.1 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | trans | -148.4 | 155.9 | 147 | -130.1 | -32.7 | 0 | 0 | 0 | 113.8 | ||||
| 49 | N | 36.9 | Very low | 35 | Very low | 126 Ų | 126 | 134 Ų | 134 | 67% | 0.674 | 76% | 0.761 | S | S | * | * | trans | -109.5 | 162.6 | -169.5 | -69.1 | -79.8 | 0 | 0 | 0 | 113.2 | ||||
| 50 | N | 39.8 | Very low | 35 | Very low | 152 Ų | 152 | 137.4 Ų | 137.4 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | 157.8 | 153.1 | 137.6 | -84.9 | -47.8 | 0 | 0 | 0 | 111.8 | ||||
| 51 | N | 36.8 | Very low | 34.7 | Very low | 148 Ų | 148 | 138.7 Ų | 138.7 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | cis | -169.5 | 141.5 | -23.6 | -174 | 4.6 | 0 | 0 | 0 | 110.4 | ||||
| 52 | G | 39.7 | Very low | 34.3 | Very low | 66 Ų | 66 | 137.1 Ų | 137.1 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | trans | 80.2 | 161.9 | 154.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 53 | N | 34.8 | Very low | 34.2 | Very low | 169 Ų | 169 | 137 Ų | 137 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | cis | -165.3 | 157.1 | -12.2 | -171 | 6.5 | 0 | 0 | 0 | 108.4 | ||||
| 54 | G | 39.8 | Very low | 33.9 | Very low | 69 Ų | 69 | 133.5 Ų | 133.5 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | 151.5 | 41.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 55 | N | 36 | Very low | 34.5 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | 47.4 | 104.4 | 149.5 | -99.4 | -20.8 | 0 | 0 | 0 | 123.3 | ||||
| 56 | S | 38.7 | Very low | 34.5 | Very low | 88 Ų | 88 | 132.3 Ų | 132.3 | 62% | 0.615 | 77% | 0.77 | S | S | * | * | 77.8 | 139.2 | 106.1 | -61 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 57 | N | 35.3 | Very low | 34.5 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | trans | 77.6 | 141.6 | 157 | -57.7 | -27.9 | 0 | 0 | 0 | 118.9 | ||||
| 58 | H | 35 | Very low | 34.8 | Very low | 162 Ų | 162 | 137 Ų | 137 | 75% | 0.75 | 79% | 0.785 | S | S | * | * | cis | -165.7 | 167.3 | -20.6 | -166.7 | -70.6 | 0 | 0 | 0 | 108.3 | ||||
| 59 | V | 33 | Very low | 34.6 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 70% | 0.703 | 78% | 0.775 | S | S | * | * | trans | 80.7 | 70.7 | 167 | -158.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 60 | Q | 28.5 | Very low | 34.5 | Very low | 178 Ų | 178 | 139.4 Ų | 139.4 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | 44.1 | 90.1 | 106.5 | -165.3 | 171.6 | 13.7 | 0 | 0 | 119.9 | |||||
| 61 | Q | 29.1 | Very low | 34.1 | Very low | 183 Ų | 183 | 135.9 Ų | 135.9 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | -152.7 | 144.6 | 143.8 | -141.5 | 170.1 | 14 | 0 | 0 | 112.5 | ||||
| 62 | S | 28.4 | Very low | 34.1 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | 39.6 | 113.7 | 162.9 | 59.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 63 | T | 30.1 | Very low | 34 | Very low | 144 Ų | 144 | 139.8 Ų | 139.8 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -156.6 | 127.6 | 137.7 | 16.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 64 | S | 28.4 | Very low | 34 | Very low | 105 Ų | 105 | 137.9 Ų | 137.9 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 147.3 | 157.7 | 48.5 | 0 | 0 | 0 | 0 | 108.8 | T66 | S64-T66 PolarHBondContact O-N 3.38Š|
| 65 | P | 39.8 | Very low | 33.7 | Very low | 136 Ų | 136 | 141.6 Ų | 141.6 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 128.7 | -167.2 | -21.5 | 34.3 | 0 | 0 | 0 | 113.5 | ||
| 66 | T | 31.1 | Very low | 33.7 | Very low | 116 Ų | 116 | 142.4 Ų | 142.4 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 153.9 | 174.6 | -35.1 | 0 | 0 | 0 | 0 | 111.6 | S64 L68 | S64-T66 PolarHBondContact O-N 3.38Å; T66-L68 PolarHBondContact O-N 2.75Å |
| 67 | E | 32.1 | Very low | 33.6 | Very low | 187 Ų | 187 | 145 Ų | 145 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -23.6 | 115 | 173.7 | -58.7 | 173.8 | 114.1 | 0 | 0 | 116.8 | D69 | E67-D69 PolarHBondContact O-N 3.16Š| ||
| 68 | L | 39.6 | Very low | 33.7 | Very low | 174 Ų | 174 | 139.6 Ų | 139.6 | 91% | 0.911 | 76% | 0.758 | S | S | * | * | trans | -87.3 | 92.4 | 163.2 | -102.6 | 138.9 | 0 | 0 | 0 | 110.4 | T66 | T66-L68 PolarHBondContact O-N 2.75Š| ||
| 69 | D | 33.4 | Very low | 34 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 62% | 0.62 | 76% | 0.764 | S | S | * | * | trans | 30.7 | 97.4 | 144.9 | -150.8 | -2 | 0 | 0 | 0 | 117.9 | E67 S71 | E67-D69 PolarHBondContact O-N 3.16Å; D69-S71 PolarHBondContact O-N 3.25Å; D69-S71 WeakPolarHBondContact OD1-CB 3.43Å; D69-S71 PolarHBondContact OD1-OG 3.29Å | ||
| 70 | K | 35.4 | Very low | 34.4 | Very low | 214 Ų | 214 | 145.7 Ų | 145.7 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | trans | -88.2 | 29.4 | -178.3 | -137.8 | 169.9 | -169.6 | 171.6 | 0 | 113.2 | ||||
| 71 | S | 31.9 | Very low | 35.2 | Very low | 78 Ų | 78 | 140.4 Ų | 140.4 | 55% | 0.545 | 75% | 0.748 | S | S | . | * | trans | -108 | 7.7 | -158.5 | -51.7 | 0 | 0 | 0 | 0 | 116 | D69 | D69-S71 PolarHBondContact O-N 3.25Å; D69-S71 WeakPolarHBondContact OD1-CB 3.43Å; D69-S71 PolarHBondContact OD1-OG 3.29Å | ||
| 72 | T | 35.8 | Very low | 36 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -124.5 | 8.2 | -172 | -32 | 0 | 0 | 0 | 0 | 114.7 | ||
| 73 | I | 37.4 | Very low | 37.1 | Very low | 170 Ų | 170 | 140.9 Ų | 140.9 | 87% | 0.872 | 73% | 0.734 | S | S | * | * | trans | -105.1 | 66.3 | 167.7 | -52.4 | -173.6 | 0 | 0 | 0 | 109.2 | ||||
| 74 | I | 35.7 | Very low | 38.7 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 66% | 0.662 | 71% | 0.705 | S | S | * | * | trans | -129.3 | 104.1 | 169.4 | -56.3 | 174.1 | 0 | 0 | 0 | 105.3 | ||||
| 75 | N | 33.1 | Very low | 41.3 | Very low | 147 Ų | 147 | 136.5 Ų | 136.5 | 79% | 0.786 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 167 | -28.8 | 148 | -84.1 | -21.9 | 0 | 0 | 0 | 113.6 | I77 | N75-I77 PolarHBondContact O-N 2.8Š|
| 76 | D | 35 | Very low | 43.8 | Very low | 166 Ų | 166 | 130.8 Ų | 130.8 | 89% | 0.888 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -78.3 | 38.3 | -172.9 | -68.6 | -38.1 | 0 | 0 | 0 | 115.5 | ||
| 77 | I | 38 | Very low | 46.9 | Very low | 143 Ų | 143 | 127.8 Ų | 127.8 | 73% | 0.733 | 63% | 0.631 | S | S | * | * | trans | -142.6 | 141.9 | 174.2 | -28.6 | 177.8 | 0 | 0 | 0 | 111.3 | N75 | N75-I77 PolarHBondContact O-N 2.8Š| ||
| 78 | T | 37.4 | Very low | 49.9 | Very low | 37 Ų | 37 | 118.9 Ų | 118.9 | 23% | 0.227 | 59% | 0.589 | C | S | . | * | trans | 83.2 | 71.7 | 162.7 | 73.5 | 0 | 0 | 0 | 0 | 118.8 | N81 Y82 | T78-N81 HydrophobicContact CG2-CB 3.38Å; T78-Y82 WeakPolarHBondContact O-CD2 3.09Å; T78-Y82 VanDerWaalsContact O-CE2 3.32Å; T78-Y82 WeakPolarHBondContact O-CE2 3.36Å | ||
| 79 | Y | 41.4 | Very low | 52.6 | Low | 225 Ų | 225 | 112 Ų | 112 | 88% | 0.882 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -89.8 | -49.6 | 137.7 | -98 | -87.8 | 0 | 0 | 0 | 110.6 | N81 Y82 | Y79-N81 PolarHBondContact O-N 2.9Å; Y79-Y82 PolarHBondContact O-N 3Å |
| 80 | E | 41 | Very low | 55.6 | Low | 180 Ų | 180 | 106.5 Ų | 106.5 | 84% | 0.841 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 19.7 | 175 | -64.8 | -60.6 | 138.8 | 0 | 0 | 116.2 | ||
| 81 | N | 44.6 | Very low | 58.4 | Low | 68 Ų | 68 | 97.9 Ų | 97.9 | 36% | 0.364 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143 | 9.5 | -174 | -124.9 | -30 | 0 | 0 | 0 | 115 | T78 Y79 N84 | T78-N81 HydrophobicContact CG2-CB 3.38Å; Y79-N81 PolarHBondContact O-N 2.9Å; N81-N84 PolarHBondContact OD1-ND2 3.26Å |
| 82 | Y | 45.8 | Very low | 61.4 | Low | 140 Ų | 140 | 99 Ų | 99 | 55% | 0.549 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -79.8 | -42.5 | 172.2 | -90.1 | -89.3 | 0 | 0 | 0 | 112.5 | T78 Y79 N84 R85 | T78-Y82 WeakPolarHBondContact O-CD2 3.09Å; T78-Y82 VanDerWaalsContact O-CE2 3.32Å; T78-Y82 WeakPolarHBondContact O-CE2 3.36Å; Y79-Y82 PolarHBondContact O-N 3Å; Y82-N84 VanDerWaalsContact C-N 3.25Å; Y82-N84 PolarHBondContact O-N 3.09Å; Y82-R85 PolarHBondContact O-N 3.49Å |
| 83 | E | 51.5 | Low | 64.2 | Low | 157 Ų | 157 | 93 Ų | 93 | 73% | 0.734 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62.6 | -30.3 | 178.7 | -59.1 | -157.6 | 155.4 | 0 | 0 | 113.3 | R85 T86 | E83-R85 PolarHBondContact O-N 3.43Å; E83-T86 PolarHBondContact O-OG1 2.77Å; E83-T86 VanDerWaalsContact O-OG1 3.07Å |
| 84 | N | 63.5 | Low | 66.9 | Low | 55 Ų | 55 | 85 Ų | 85 | 29% | 0.294 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -70.6 | -12.2 | 176.8 | -68.6 | -43.1 | 0 | 0 | 0 | 113.6 | N81 Y82 | N81-N84 PolarHBondContact OD1-ND2 3.26Å; Y82-N84 VanDerWaalsContact C-N 3.25Å; Y82-N84 PolarHBondContact O-N 3.09Å |
| 85 | R | 82.7 | Confident | 69.5 | Low | 102 Ų | 102 | 83.2 Ų | 83.2 | 39% | 0.385 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -94.2 | -16.6 | -178.6 | -68 | 176.2 | 176.5 | 154.2 | 0.2 | 113.8 | Y82 E83 A137 A140 L161 | Y82-R85 PolarHBondContact O-N 3.49Å; E83-R85 PolarHBondContact O-N 3.43Å; R85-A137 HydrophobicContact CB-CB 3.92Å; R85-A140 VanDerWaalsContact O-CB 3.31Å; R85-A140 WeakPolarHBondContact O-CB 3.32Å; R85-L161 WeakPolarHBondContact O-CD2 3.39Å |
| 86 | T | 93.2 | Very high | 72.4 | Confident | 17 Ų | 17 | 81 Ų | 81 | 10% | 0.104 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -87.8 | -24.6 | 177 | 55.6 | 0 | 0 | 0 | 0 | 113.5 | E83 N133 Y134 A137 | E83-T86 PolarHBondContact O-OG1 2.77Å; E83-T86 VanDerWaalsContact O-OG1 3.07Å; T86-N133 WeakPolarHBondContact CB-OD1 3.46Å; T86-N133 PolarHBondContact O-OD1 3.43Å; T86-N133 PolarHBondContact OG1-OD1 2.79Å; T86-Y134 WeakPolarHBondContact CB-O 3.46Å; T86-Y134 PolarHBondContact O-N 3.02Å; T86-A137 HydrophobicContact CG2-CB 4.1Å |
| 87 | N | 95.8 | Very high | 75.2 | Confident | 52 Ų | 52 | 73.6 Ų | 73.6 | 28% | 0.278 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 124.8 | -173 | -170 | 6.9 | 0 | 0 | 0 | 111.7 | N133 A162 | N87-N133 WeakPolarHBondContact CA-OD1 3.44Å; N87-N133 PolarHBondContact N-OD1 3.07Å; N87-A162 HydrophobicContact CB-CB 4.12Å; N87-A162 WeakPolarHBondContact O-CB 3.12Å; N87-A162 PolarHBondContact O-N 2.92Å |
| 88 | L | 96.6 | Very high | 77.9 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 144.6 | 179.8 | -56.9 | -173.3 | 0 | 0 | 0 | 111.7 | F106 F131 V132 Y134 A140 A143 I144 V159 S160 L161 | L88-F106 HydrophobicContact CD1-CE1 4.4Å; L88-F131 CarbonylContact O-C 3.53Å; L88-F131 VanDerWaalsContact O-CA 3.28Å; L88-F131 WeakPolarHBondContact O-CA 3.42Å; L88-V132 HydrophobicContact CB-CB 4.48Å; L88-V132 WeakPolarHBondContact CB-O 3.33Å; L88-V132 PolarHBondContact N-O 3.46Å; L88-V132 PolarHBondContact O-N 2.84Å; L88-Y134 HydrophobicContact CD1-CD2 4.2Å; L88-Y134 HydrophobicContact CD1-CE2 3.77Å; L88-Y134 HydrophobicContact CG-CD2 4.5Å; L88-Y134 HydrophobicContact CG-CE2 4.49Å; L88-A140 HydrophobicContact CD1-CB 4.4Å; L88-A140 HydrophobicContact CD2-CB 4.02Å; L88-A140 HydrophobicContact CG-CB 4.17Å; L88-A143 HydrophobicContact CD1-CB 3.85Å; L88-I144 HydrophobicContact CD1-CG1 4.27Å; L88-I144 HydrophobicContact CD2-CD1 3.64Å; L88-I144 HydrophobicContact CD2-CG1 3.7Å; L88-V159 HydrophobicContact CD1-CG1 3.82Å; L88-S160 CarbonylContact C-O 3.55Å; L88-S160 WeakPolarHBondContact CA-O 3.13Å; L88-L161 HydrophobicContact CD2-CD2 3.93Å |
| 89 | I | 95.5 | Very high | 80.7 | Confident | 30 Ų | 30 | 70.9 Ų | 70.9 | 15% | 0.154 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 130.4 | 163.9 | -168.8 | 177.3 | 0 | 0 | 0 | 109.9 | Y129 F131 S160 A162 | I89-Y129 HydrophobicContact CD1-CD2 4.38Å; I89-F131 HydrophobicContact CB-CD1 4.09Å; I89-F131 HydrophobicContact CB-CE1 3.95Å; I89-F131 HydrophobicContact CD1-CE1 3.91Å; I89-F131 HydrophobicContact CD1-CZ 4.02Å; I89-F131 HydrophobicContact CG1-CD1 4.19Å; I89-F131 HydrophobicContact CG1-CE1 3.83Å; I89-F131 HydrophobicContact CG1-CZ 4.25Å; I89-S160 WeakPolarHBondContact CG2-OG 3.46Å; I89-S160 PolarHBondContact N-O 2.78Å; I89-S160 PolarHBondContact O-N 2.89Å; I89-A162 HydrophobicContact CB-CB 4.33Å |
| 90 | V | 96.4 | Very high | 83.3 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 115.8 | -178.8 | -170.8 | 0 | 0 | 0 | 0 | 108.3 | L93 F106 Y129 G130 V132 I157 V159 | V90-L93 HydrophobicContact CG1-CD1 4.35Å; V90-L93 HydrophobicContact CG1-CD2 3.57Å; V90-L93 HydrophobicContact CG1-CG 4.08Å; V90-F106 HydrophobicContact CB-CZ 4.25Å; V90-F106 HydrophobicContact CG1-CE2 4.06Å; V90-F106 HydrophobicContact CG1-CZ 3.8Å; V90-F106 HydrophobicContact CG2-CE1 3.8Å; V90-F106 HydrophobicContact CG2-CE2 3.92Å; V90-F106 HydrophobicContact CG2-CZ 3.36Å; V90-Y129 CarbonylContact O-C 3.57Å; V90-Y129 WeakPolarHBondContact O-CA 3.31Å; V90-Y129 VanDerWaalsContact O-CB 3.3Å; V90-Y129 WeakPolarHBondContact O-CB 3.44Å; V90-G130 PolarHBondContact N-O 3.37Å; V90-G130 PolarHBondContact O-N 2.84Å; V90-V132 HydrophobicContact CG2-CG2 3.95Å; V90-I157 HydrophobicContact CG1-CD1 4.34Å; V90-V159 HydrophobicContact CG1-CG2 4.28Å |
| 91 | N | 94.8 | Very high | 85.8 | Confident | 33 Ų | 33 | 60.9 Ų | 60.9 | 18% | 0.176 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 158.2 | -175.4 | -64.5 | -95.1 | 0 | 0 | 0 | 111.4 | I157 K158 | N91-I157 WeakPolarHBondContact O-CA 3.19Å; N91-K158 HydrophobicContact CB-CB 4.32Å; N91-K158 PolarHBondContact N-O 2.85Å; N91-K158 PolarHBondContact O-N 3.33Å |
| 92 | Y | 93.7 | Very high | 88.3 | Confident | 101 Ų | 101 | 57.7 Ų | 57.7 | 40% | 0.396 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 64.8 | 34 | 179.8 | -43.6 | -56.6 | 0 | 0 | 0 | 114.5 | G128 K155 T156 K158 | Y92-G128 PolarHBondContact N-O 2.6Å; Y92-K155 VanDerWaalsContact O-CB 3.23Å; Y92-K155 WeakPolarHBondContact O-CB 3.17Å; Y92-K155 WeakPolarHBondContact O-CD 3.32Å; Y92-T156 WeakPolarHBondContact CB-O 3.43Å; Y92-K158 HydrophobicContact CD2-CB 3.91Å; Y92-K158 HydrophobicContact CE2-CB 3.87Å |
| 93 | L | 94.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -66.1 | 146 | 170.2 | -60.6 | 177.2 | 0 | 0 | 0 | 111.2 | V90 M97 M102 L117 G128 K155 I157 | V90-L93 HydrophobicContact CG1-CD1 4.35Å; V90-L93 HydrophobicContact CG1-CD2 3.57Å; V90-L93 HydrophobicContact CG1-CG 4.08Å; L93-M97 HydrophobicContact CB-SD 4.44Å; L93-M97 HydrophobicContact CD2-SD 3.86Å; L93-M102 HydrophobicContact CD1-SD 3.53Å; L93-M102 VanDerWaalsContact CD1-SD 3.53Å; L93-L117 HydrophobicContact CD1-CD1 3.59Å; L93-G128 PolarHBondContact N-O 3.5Å; L93-G128 WeakPolarHBondContact O-CA 3.25Å; L93-K155 WeakPolarHBondContact O-CD 3.32Å; L93-K155 PolarHBondContact O-NZ 2.85Å; L93-I157 HydrophobicContact CD2-CG2 4Å | ||
| 94 | P | 93.4 | Very high | 92.8 | Very high | 4 Ų | 4 | 52.7 Ų | 52.7 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | trans | -58 | 146.1 | 167.2 | -23.3 | 34.3 | 0 | 0 | 0 | 111.8 | T96 M97 L152 Q153 | P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 3.13Å; P94-M97 HydrophobicContact CB-CB 4.34Å; P94-M97 WeakPolarHBondContact O-CB 3.26Å; P94-M97 PolarHBondContact O-N 3.43Å; P94-L152 HydrophobicContact CG-CB 3.97Å; P94-Q153 HydrophobicContact CG-CB 4.41Å; P94-Q153 HydrophobicContact CG-CG 4.29Å | ||
| 95 | Q | 91.8 | Very high | 94.3 | Very high | 90 Ų | 90 | 51 Ų | 51 | 42% | 0.421 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -25.9 | 179 | -76.3 | -176.2 | -38.5 | 0 | 0 | 112.8 | M97 S126 | Q95-M97 PolarHBondContact O-N 3.3Å; Q95-S126 WeakPolarHBondContact O-CB 3.2Å |
| 96 | T | 92.9 | Very high | 95 | Very high | 100 Ų | 100 | 46.2 Ų | 46.2 | 61% | 0.613 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -19.5 | 173.8 | 65.8 | 0 | 0 | 0 | 0 | 112.9 | P94 S98 Q153 | P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 3.13Å; T96-S98 PolarHBondContact O-N 3.22Å; T96-Q153 PolarHBondContact OG1-NE2 3.32Å |
| 97 | M | 93.5 | Very high | 95.1 | Very high | 12 Ų | 12 | 48.3 Ų | 48.3 | 6% | 0.059 | 24% | 0.242 | C | C | . | . | trans | -68.7 | 129.8 | -171.3 | -163.7 | 172.3 | -173.6 | 0 | 0 | 110.9 | L93 P94 Q95 E101 M102 L105 L117 R119 L152 | L93-M97 HydrophobicContact CB-SD 4.44Å; L93-M97 HydrophobicContact CD2-SD 3.86Å; P94-M97 HydrophobicContact CB-CB 4.34Å; P94-M97 WeakPolarHBondContact O-CB 3.26Å; P94-M97 PolarHBondContact O-N 3.43Å; Q95-M97 PolarHBondContact O-N 3.3Å; M97-E101 HydrophobicContact CE-CB 3.99Å; M97-E101 HydrophobicContact CG-CB 4.06Å; M97-M102 HydrophobicContact CE-CB 4.22Å; M97-L105 HydrophobicContact CE-CD2 4.09Å; M97-L117 WeakPolarHBondContact O-CD2 3.35Å; M97-R119 PolarHBondContact O-NH2 2.86Å; M97-L152 HydrophobicContact CE-CD1 3.93Å; M97-L152 HydrophobicContact SD-CD1 3.84Å | ||
| 98 | S | 95.2 | Very high | 95.1 | Very high | 38 Ų | 38 | 53.4 Ų | 53.4 | 27% | 0.266 | 26% | 0.262 | S | S | . | . | trans | -80.8 | 165.4 | 175.1 | 67.1 | 0 | 0 | 0 | 0 | 111.8 | T96 E100 E101 M102 | T96-S98 PolarHBondContact O-N 3.22Å; S98-E100 VanDerWaalsContact C-N 3.26Å; S98-E101 VanDerWaalsContact CB-OE2 3.25Å; S98-E101 WeakPolarHBondContact CB-OE2 3.44Å; S98-E101 PolarHBondContact N-OE2 3.47Å; S98-E101 WeakPolarHBondContact OG-CB 3.45Å; S98-E101 VanDerWaalsContact OG-CG 3.29Å; S98-E101 WeakPolarHBondContact OG-CG 3.49Å; S98-E101 PolarHBondContact OG-N 3.49Å; S98-E101 PolarHBondContact OG-OE2 2.75Å; S98-M102 PolarHBondContact O-N 3.12Å | ||
| 99 | Q | 95.7 | Very high | 95 | Very high | 85 Ų | 85 | 55.1 Ų | 55.1 | 40% | 0.397 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.2 | -31.5 | 171.8 | -173.6 | 168.8 | -75.3 | 0 | 0 | 111.4 | M102 R103 C115 L117 | Q99-M102 WeakPolarHBondContact O-CB 3.43Å; Q99-M102 PolarHBondContact O-N 3.15Å; Q99-R103 WeakPolarHBondContact O-CB 3.5Å; Q99-R103 PolarHBondContact O-N 3.22Å; Q99-C115 PolarHBondContact NE2-O 3.27Å; Q99-L117 HydrophobicContact CB-CB 3.92Å; Q99-L117 HydrophobicContact CG-CB 4.14Å |
| 100 | E | 95.9 | Very high | 95 | Very high | 101 Ų | 101 | 54.3 Ų | 54.3 | 47% | 0.472 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -76.6 | -37.4 | -177.7 | -164.2 | 52.7 | -139.2 | 0 | 0 | 112.2 | S98 M102 R103 I104 | S98-E100 VanDerWaalsContact C-N 3.26Å; E100-M102 PolarHBondContact O-N 2.78Å; E100-R103 WeakPolarHBondContact O-CB 3.48Å; E100-R103 PolarHBondContact O-N 3.27Å; E100-R103 VanDerWaalsContact O-N 3.11Å; E100-R103 WeakPolarHBondContact OE1-CD 3.31Å; E100-R103 VanDerWaalsContact OE2-CD 3.23Å; E100-R103 WeakPolarHBondContact OE2-CD 3.43Å; E100-I104 HydrophobicContact CG-CD1 4.01Å; E100-I104 HydrophobicContact CG-CG1 4.38Å; E100-I104 WeakPolarHBondContact O-CB 3.27Å; E100-I104 VanDerWaalsContact O-CG1 3.27Å; E100-I104 WeakPolarHBondContact O-CG1 3.4Å; E100-I104 PolarHBondContact O-N 3.35Å |
| 101 | E | 95.4 | Very high | 95 | Very high | 94 Ų | 94 | 61.5 Ų | 61.5 | 44% | 0.439 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.1 | -36.8 | 168.6 | -72.8 | 161.8 | 109.6 | 0 | 0 | 111.8 | M97 S98 L105 | M97-E101 HydrophobicContact CE-CB 3.99Å; M97-E101 HydrophobicContact CG-CB 4.06Å; S98-E101 VanDerWaalsContact CB-OE2 3.25Å; S98-E101 WeakPolarHBondContact CB-OE2 3.44Å; S98-E101 PolarHBondContact N-OE2 3.47Å; S98-E101 WeakPolarHBondContact OG-CB 3.45Å; S98-E101 VanDerWaalsContact OG-CG 3.29Å; S98-E101 WeakPolarHBondContact OG-CG 3.49Å; S98-E101 PolarHBondContact OG-N 3.49Å; S98-E101 PolarHBondContact OG-OE2 2.75Å; E101-L105 WeakPolarHBondContact O-CB 3.49Å; E101-L105 PolarHBondContact O-N 2.92Å |
| 102 | M | 95.6 | Very high | 95 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.4 | -40.5 | 174.3 | -168.5 | 175.3 | 78.8 | 0 | 0 | 111.4 | L93 M97 S98 Q99 E100 L105 F106 C115 L117 V132 | L93-M102 HydrophobicContact CD1-SD 3.53Å; L93-M102 VanDerWaalsContact CD1-SD 3.53Å; M97-M102 HydrophobicContact CE-CB 4.22Å; S98-M102 PolarHBondContact O-N 3.12Å; Q99-M102 WeakPolarHBondContact O-CB 3.43Å; Q99-M102 PolarHBondContact O-N 3.15Å; E100-M102 PolarHBondContact O-N 2.78Å; M102-L105 PolarHBondContact O-N 3.3Å; M102-F106 HydrophobicContact CG-CD2 4.12Å; M102-F106 HydrophobicContact CG-CE2 4.32Å; M102-F106 WeakPolarHBondContact O-CD2 3.19Å; M102-F106 PolarHBondContact O-N 3.37Å; M102-F106 VanDerWaalsContact O-N 3.1Å; M102-C115 WeakPolarHBondContact CE-SG 3.17Å; M102-L117 HydrophobicContact CE-CB 4.21Å; M102-L117 HydrophobicContact SD-CD1 4.32Å; M102-V132 HydrophobicContact CE-CG2 4.07Å; M102-V132 HydrophobicContact CG-CG2 4.41Å; M102-V132 HydrophobicContact SD-CG2 4.41Å |
| 103 | R | 97.1 | Very high | 95.1 | Very high | 96 Ų | 96 | 58.6 Ų | 58.6 | 36% | 0.362 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.7 | -51.8 | 175.8 | -160.9 | 179.2 | -150.4 | -68 | -8.5 | 111.3 | Q99 E100 L105 F106 S107 L112 C115 | Q99-R103 WeakPolarHBondContact O-CB 3.5Å; Q99-R103 PolarHBondContact O-N 3.22Å; E100-R103 WeakPolarHBondContact O-CB 3.48Å; E100-R103 PolarHBondContact O-N 3.27Å; E100-R103 VanDerWaalsContact O-N 3.11Å; E100-R103 WeakPolarHBondContact OE1-CD 3.31Å; E100-R103 VanDerWaalsContact OE2-CD 3.23Å; E100-R103 WeakPolarHBondContact OE2-CD 3.43Å; R103-L105 VanDerWaalsContact C-N 3.34Å; R103-L105 PolarHBondContact O-N 2.88Å; R103-F106 PolarHBondContact O-N 3.04Å; R103-S107 WeakPolarHBondContact O-CB 3.35Å; R103-S107 PolarHBondContact O-N 2.97Å; R103-L112 HydrophobicContact CG-CD1 4.06Å; R103-C115 HydrophobicContact CB-CB 4.46Å; R103-C115 HydrophobicContact CG-CB 4.19Å |
| 104 | I | 95.8 | Very high | 95.1 | Very high | 96 Ų | 96 | 61.6 Ų | 61.6 | 49% | 0.492 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.2 | -43 | 177.1 | -68.4 | 165.3 | 0 | 0 | 0 | 111 | E100 | E100-I104 HydrophobicContact CG-CD1 4.01Å; E100-I104 HydrophobicContact CG-CG1 4.38Å; E100-I104 WeakPolarHBondContact O-CB 3.27Å; E100-I104 VanDerWaalsContact O-CG1 3.27Å; E100-I104 WeakPolarHBondContact O-CG1 3.4Å; E100-I104 PolarHBondContact O-N 3.35Å |
| 105 | L | 95.1 | Very high | 95.3 | Very high | 21 Ų | 21 | 62 Ų | 62 | 11% | 0.11 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.8 | -52.1 | 179.2 | 173.7 | 61.2 | 0 | 0 | 0 | 112.1 | M97 E101 M102 R103 K108 L147 M150 L152 | M97-L105 HydrophobicContact CE-CD2 4.09Å; E101-L105 WeakPolarHBondContact O-CB 3.49Å; E101-L105 PolarHBondContact O-N 2.92Å; M102-L105 PolarHBondContact O-N 3.3Å; R103-L105 VanDerWaalsContact C-N 3.34Å; R103-L105 PolarHBondContact O-N 2.88Å; L105-K108 WeakPolarHBondContact O-CB 3.1Å; L105-K108 PolarHBondContact O-N 3.12Å; L105-L147 HydrophobicContact CD1-CD2 4.1Å; L105-L147 HydrophobicContact CG-CD1 4.41Å; L105-M150 HydrophobicContact CD1-CE 3.69Å; L105-M150 HydrophobicContact CD1-SD 4.27Å; L105-M150 HydrophobicContact CD2-CE 3.58Å; L105-M150 HydrophobicContact CG-CE 4.23Å; L105-L152 HydrophobicContact CD2-CD1 4.15Å |
| 106 | F | 96.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -77.3 | -28.3 | -175.2 | -80.7 | -99.8 | 0 | 0 | 0 | 112.7 | L88 V90 M102 R103 K108 I109 L112 V132 Y134 A143 L147 V159 | L88-F106 HydrophobicContact CD1-CE1 4.4Å; V90-F106 HydrophobicContact CB-CZ 4.25Å; V90-F106 HydrophobicContact CG1-CE2 4.06Å; V90-F106 HydrophobicContact CG1-CZ 3.8Å; V90-F106 HydrophobicContact CG2-CE1 3.8Å; V90-F106 HydrophobicContact CG2-CE2 3.92Å; V90-F106 HydrophobicContact CG2-CZ 3.36Å; M102-F106 HydrophobicContact CG-CD2 4.12Å; M102-F106 HydrophobicContact CG-CE2 4.32Å; M102-F106 WeakPolarHBondContact O-CD2 3.19Å; M102-F106 PolarHBondContact O-N 3.37Å; M102-F106 VanDerWaalsContact O-N 3.1Å; R103-F106 PolarHBondContact O-N 3.04Å; F106-K108 PolarHBondContact O-N 3.02Å; F106-K108 VanDerWaalsContact O-N 3.12Å; F106-I109 PolarHBondContact O-N 2.78Å; F106-I109 VanDerWaalsContact O-N 3.14Å; F106-L112 HydrophobicContact CB-CD1 4.08Å; F106-L112 HydrophobicContact CB-CD2 4.17Å; F106-V132 HydrophobicContact CB-CG1 3.89Å; F106-V132 HydrophobicContact CB-CG2 4.46Å; F106-V132 HydrophobicContact CD1-CB 4.29Å; F106-V132 HydrophobicContact CD1-CG1 3.96Å; F106-V132 HydrophobicContact CD1-CG2 4.16Å; F106-V132 HydrophobicContact CD2-CG2 4.25Å; F106-V132 HydrophobicContact CG-CB 4.5Å; F106-V132 HydrophobicContact CG-CG1 4.05Å; F106-V132 HydrophobicContact CG-CG2 4.02Å; F106-Y134 WeakPolarHBondContact CB-OH 3.38Å; F106-Y134 HydrophobicContact CD1-CE2 4.3Å; F106-Y134 WeakPolarHBondContact CD1-OH 3.32Å; F106-Y134 PolarHBondContact O-OH 3.21Å; F106-A143 HydrophobicContact CD1-CB 4.41Å; F106-L147 HydrophobicContact CD1-CD1 3.69Å; F106-L147 HydrophobicContact CD2-CD1 4.22Å; F106-L147 HydrophobicContact CE1-CD1 3.68Å; F106-L147 HydrophobicContact CE2-CD1 4.23Å; F106-L147 HydrophobicContact CG-CD1 3.96Å; F106-L147 HydrophobicContact CZ-CB 4.46Å; F106-L147 HydrophobicContact CZ-CD1 3.95Å; F106-V159 HydrophobicContact CE1-CG1 3.99Å; F106-V159 HydrophobicContact CE1-CG2 4.22Å; F106-V159 HydrophobicContact CZ-CG1 4.39Å; F106-V159 HydrophobicContact CZ-CG2 3.84Å |
| 107 | S | 96.3 | Very high | 95.6 | Very high | 61 Ų | 61 | 59.4 Ų | 59.4 | 43% | 0.427 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -9.2 | 175 | -167.7 | 0 | 0 | 0 | 0 | 114.1 | R103 I109 | R103-S107 WeakPolarHBondContact O-CB 3.35Å; R103-S107 PolarHBondContact O-N 2.97Å; S107-I109 VanDerWaalsContact C-N 3.27Å |
| 108 | K | 94.9 | Very high | 95.7 | Very high | 160 Ų | 160 | 60.3 Ų | 60.3 | 70% | 0.696 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -21.3 | 171.5 | -67.6 | 176.3 | -176.5 | -175.6 | 0 | 113.6 | L105 F106 | L105-K108 WeakPolarHBondContact O-CB 3.1Å; L105-K108 PolarHBondContact O-N 3.12Å; F106-K108 PolarHBondContact O-N 3.02Å; F106-K108 VanDerWaalsContact O-N 3.12Å |
| 109 | I | 95.7 | Very high | 95.7 | Very high | 35 Ų | 35 | 63.4 Ų | 63.4 | 18% | 0.179 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -27.2 | -176.5 | -54 | -61.6 | 0 | 0 | 0 | 112 | F106 S107 Y134 R142 A143 A146 L147 | F106-I109 PolarHBondContact O-N 2.78Å; F106-I109 VanDerWaalsContact O-N 3.14Å; S107-I109 VanDerWaalsContact C-N 3.27Å; I109-Y134 HydrophobicContact CB-CE1 4.43Å; I109-R142 HydrophobicContact CG2-CB 3.57Å; I109-R142 PolarHBondContact O-NH2 3.1Å; I109-A143 HydrophobicContact CB-CB 4.25Å; I109-A143 HydrophobicContact CG1-CB 4.23Å; I109-A143 HydrophobicContact CG2-CB 3.98Å; I109-A146 HydrophobicContact CD1-CB 3.87Å; I109-L147 HydrophobicContact CD1-CG 4.49Å; I109-L147 HydrophobicContact CG1-CD1 3.94Å; I109-L147 HydrophobicContact CG1-CG 4.26Å |
| 110 | G | 94.5 | Very high | 95.5 | Very high | 14 Ų | 14 | 61.8 Ų | 61.8 | 14% | 0.144 | 31% | 0.308 | C | S | . | . | S | Bend | trans | 174 | 173.3 | -164.5 | 0 | 0 | 0 | 0 | 0 | 114 | D139 | G110-D139 WeakPolarHBondContact CA-OD2 3.47Š|
| 111 | K | 96.1 | Very high | 95.2 | Very high | 150 Ų | 150 | 67 Ų | 67 | 65% | 0.652 | 33% | 0.329 | S | S | * | . | trans | -79 | 124.6 | -177.7 | -172.3 | 177.3 | 174 | -173.5 | 0 | 111 | Y134 V135 D139 | K111-Y134 WeakPolarHBondContact O-CA 3.1Å; K111-V135 HydrophobicContact CB-CB 4.47Å; K111-V135 HydrophobicContact CB-CG2 4.14Å; K111-V135 HydrophobicContact CD-CG2 3.97Å; K111-V135 HydrophobicContact CG-CG2 3.84Å; K111-V135 PolarHBondContact O-N 3.43Å; K111-D139 PolarHBondContact N-OD2 3.47Å | ||
| 112 | L | 96.4 | Very high | 94.9 | Very high | 14 Ų | 14 | 70.1 Ų | 70.1 | 7% | 0.073 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 121.8 | 178.7 | -53.4 | -172.1 | 0 | 0 | 0 | 111.2 | R103 F106 C115 V132 N133 Y134 | R103-L112 HydrophobicContact CG-CD1 4.06Å; F106-L112 HydrophobicContact CB-CD1 4.08Å; F106-L112 HydrophobicContact CB-CD2 4.17Å; L112-C115 HydrophobicContact CD1-CB 4.18Å; L112-V132 HydrophobicContact CD1-CG1 4.24Å; L112-V132 HydrophobicContact CD2-CG1 3.62Å; L112-N133 CarbonylContact C-O 3.41Å; L112-Y134 HydrophobicContact CD2-CD1 3.69Å; L112-Y134 HydrophobicContact CD2-CD2 4.31Å; L112-Y134 HydrophobicContact CD2-CE1 3.34Å; L112-Y134 HydrophobicContact CD2-CE2 4.01Å; L112-Y134 HydrophobicContact CD2-CG 4.16Å |
| 113 | A | 95.4 | Very high | 94.8 | Very high | 59 Ų | 59 | 73.4 Ų | 73.4 | 49% | 0.488 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | -39 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | N133 V135 | A113-N133 PolarHBondContact N-O 2.84Å; A113-V135 HydrophobicContact CB-CG2 4.06Å |
| 114 | S | 95 | Very high | 94.5 | Very high | 64 Ų | 64 | 70.7 Ų | 70.7 | 45% | 0.448 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 151.5 | 175.6 | -170 | 0 | 0 | 0 | 0 | 112.2 | N133 | S114-N133 PolarHBondContact N-O 2.87Å; S114-N133 PolarHBondContact O-N 2.97Å |
| 115 | C | 96.1 | Very high | 94.3 | Very high | 12 Ų | 12 | 71.1 Ų | 71.1 | 8% | 0.081 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 115.8 | 178.1 | -173.5 | 0 | 0 | 0 | 0 | 108.6 | Q99 M102 R103 L112 | Q99-C115 PolarHBondContact NE2-O 3.27Å; M102-C115 WeakPolarHBondContact CE-SG 3.17Å; R103-C115 HydrophobicContact CB-CB 4.46Å; R103-C115 HydrophobicContact CG-CB 4.19Å; L112-C115 HydrophobicContact CD1-CB 4.18Å |
| 116 | K | 96 | Very high | 94.1 | Very high | 126 Ų | 126 | 70.1 Ų | 70.1 | 55% | 0.548 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 111.1 | -172.3 | -170.4 | 176.8 | -176.6 | 172.9 | 0 | 111.4 | I118 G130 F131 | K116-I118 HydrophobicContact CD-CD1 4.29Å; K116-I118 HydrophobicContact CG-CD1 4.15Å; K116-G130 CarbonylContact O-C 3.58Å; K116-G130 VanDerWaalsContact O-CA 3.26Å; K116-G130 WeakPolarHBondContact O-CA 3.5Å; K116-F131 PolarHBondContact N-O 3.35Å; K116-F131 PolarHBondContact O-N 3.21Å |
| 117 | L | 96.5 | Very high | 93.9 | Very high | 9 Ų | 9 | 73.5 Ų | 73.5 | 5% | 0.047 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 129.3 | 173.4 | 179.3 | 68 | 0 | 0 | 0 | 109.1 | L93 M97 Q99 M102 | L93-L117 HydrophobicContact CD1-CD1 3.59Å; M97-L117 WeakPolarHBondContact O-CD2 3.35Å; Q99-L117 HydrophobicContact CB-CB 3.92Å; Q99-L117 HydrophobicContact CG-CB 4.14Å; M102-L117 HydrophobicContact CE-CB 4.21Å; M102-L117 HydrophobicContact SD-CD1 4.32Å |
| 118 | I | 94.8 | Very high | 93.8 | Very high | 31 Ų | 31 | 71 Ų | 71 | 16% | 0.159 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 127 | -179.3 | -51.6 | -54.9 | 0 | 0 | 0 | 110.4 | K116 L127 Y129 F131 | K116-I118 HydrophobicContact CD-CD1 4.29Å; K116-I118 HydrophobicContact CG-CD1 4.15Å; I118-L127 HydrophobicContact CG2-CD1 3.82Å; I118-L127 HydrophobicContact CG2-CG 4.36Å; I118-L127 PolarHBondContact O-N 3.08Å; I118-Y129 HydrophobicContact CB-CD2 4.31Å; I118-Y129 HydrophobicContact CB-CE1 4.23Å; I118-Y129 HydrophobicContact CB-CE2 3.95Å; I118-Y129 HydrophobicContact CG1-CD2 3.99Å; I118-Y129 HydrophobicContact CG1-CE2 3.6Å; I118-Y129 HydrophobicContact CG2-CE1 4.24Å; I118-Y129 HydrophobicContact CG2-CE2 4.3Å; I118-Y129 PolarHBondContact N-O 2.8Å; I118-F131 HydrophobicContact CD1-CD2 4.01Å; I118-F131 HydrophobicContact CD1-CE2 4.21Å; I118-F131 HydrophobicContact CG1-CD2 4.02Å; I118-F131 HydrophobicContact CG1-CE2 4.01Å |
| 119 | R | 94.5 | Very high | 93.8 | Very high | 104 Ų | 104 | 66.9 Ų | 66.9 | 39% | 0.392 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 150.7 | 178.3 | -70.3 | 172.9 | 175.7 | -82.4 | -8.8 | 109.9 | M97 G124 Q125 | M97-R119 PolarHBondContact O-NH2 2.86Å; R119-G124 WeakPolarHBondContact CD-O 3.18Å; R119-G124 PolarHBondContact NH1-O 2.88Å; R119-Q125 CarbonylContact C-O 3.55Å; R119-Q125 WeakPolarHBondContact CA-O 3.36Å; R119-Q125 WeakPolarHBondContact CB-O 3.44Å |
| 120 | D | 91.9 | Very high | 93.8 | Very high | 50 Ų | 50 | 65.2 Ų | 65.2 | 27% | 0.267 | 34% | 0.338 | S | S | . | . | trans | -61.1 | 133 | 168.2 | 170.4 | 31.3 | 0 | 0 | 0 | 110 | L122 T123 G124 Q125 L127 | D120-L122 PolarHBondContact O-N 2.89Å; D120-L122 PolarHBondContact OD1-N 2.77Å; D120-T123 VanDerWaalsContact OD2-CB 3.29Å; D120-T123 WeakPolarHBondContact OD2-CB 3.29Å; D120-T123 WeakPolarHBondContact OD2-CG2 3.47Å; D120-T123 PolarHBondContact OD2-N 3.11Å; D120-T123 PolarHBondContact OD2-OG1 3.48Å; D120-G124 WeakPolarHBondContact O-CA 3.5Å; D120-G124 PolarHBondContact O-N 3.03Å; D120-Q125 PolarHBondContact N-O 2.88Å; D120-L127 HydrophobicContact CB-CD2 3.98Å | ||
| 121 | K | 90.2 | Very high | 93.9 | Very high | 210 Ų | 210 | 67.3 Ų | 67.3 | 91% | 0.913 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -27.5 | 178.4 | -67.1 | -173.7 | 178.1 | -176.5 | 0 | 112.7 | ||
| 122 | L | 89.9 | Confident | 94 | Very high | 161 Ų | 161 | 60.1 Ų | 60.1 | 84% | 0.843 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -37.9 | -173.7 | -60.9 | 178.9 | 0 | 0 | 0 | 113.4 | D120 | D120-L122 PolarHBondContact O-N 2.89Å; D120-L122 PolarHBondContact OD1-N 2.77Å |
| 123 | T | 92.6 | Very high | 94 | Very high | 69 Ų | 69 | 61.7 Ų | 61.7 | 42% | 0.423 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -8.9 | -176.6 | 63 | 0 | 0 | 0 | 0 | 114.6 | D120 Q125 | D120-T123 VanDerWaalsContact OD2-CB 3.29Å; D120-T123 WeakPolarHBondContact OD2-CB 3.29Å; D120-T123 WeakPolarHBondContact OD2-CG2 3.47Å; D120-T123 PolarHBondContact OD2-N 3.11Å; D120-T123 PolarHBondContact OD2-OG1 3.48Å; T123-Q125 PolarHBondContact O-N 2.86Å; T123-Q125 VanDerWaalsContact O-N 3.08Å; T123-Q125 WeakPolarHBondContact OG1-CB 3.33Å; T123-Q125 WeakPolarHBondContact OG1-CG 3.03Å; T123-Q125 PolarHBondContact OG1-N 3.06Å |
| 124 | G | 90.4 | Very high | 94 | Very high | 38 Ų | 38 | 59 Ų | 59 | 39% | 0.392 | 30% | 0.298 | S | S | . | . | trans | 67.6 | -0 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | R119 D120 | R119-G124 WeakPolarHBondContact CD-O 3.18Å; R119-G124 PolarHBondContact NH1-O 2.88Å; D120-G124 WeakPolarHBondContact O-CA 3.5Å; D120-G124 PolarHBondContact O-N 3.03Å | ||
| 125 | Q | 91 | Very high | 94 | Very high | 105 Ų | 105 | 59.3 Ų | 59.3 | 49% | 0.491 | 30% | 0.297 | S | S | . | . | trans | -70.6 | 143 | -177.8 | -66.5 | -62.5 | -16.9 | 0 | 0 | 111.5 | R119 D120 T123 L127 | R119-Q125 CarbonylContact C-O 3.55Å; R119-Q125 WeakPolarHBondContact CA-O 3.36Å; R119-Q125 WeakPolarHBondContact CB-O 3.44Å; D120-Q125 PolarHBondContact N-O 2.88Å; T123-Q125 PolarHBondContact O-N 2.86Å; T123-Q125 VanDerWaalsContact O-N 3.08Å; T123-Q125 WeakPolarHBondContact OG1-CB 3.33Å; T123-Q125 WeakPolarHBondContact OG1-CG 3.03Å; T123-Q125 PolarHBondContact OG1-N 3.06Å; Q125-L127 PolarHBondContact O-N 3.04Å | ||
| 126 | S | 92.9 | Very high | 94 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.007 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 128.5 | 176.2 | 176.7 | 0 | 0 | 0 | 0 | 110.6 | Q95 G128 | Q95-S126 WeakPolarHBondContact O-CB 3.2Å; S126-G128 PolarHBondContact O-N 3.42Å; S126-G128 PolarHBondContact OG-N 3.44Å |
| 127 | L | 91.7 | Very high | 93.9 | Very high | 71 Ų | 71 | 58 Ų | 58 | 37% | 0.372 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 1.5 | 171.9 | -61.2 | -170.1 | 0 | 0 | 0 | 112.3 | I118 D120 Q125 Y129 | I118-L127 HydrophobicContact CG2-CD1 3.82Å; I118-L127 HydrophobicContact CG2-CG 4.36Å; I118-L127 PolarHBondContact O-N 3.08Å; D120-L127 HydrophobicContact CB-CD2 3.98Å; Q125-L127 PolarHBondContact O-N 3.04Å; L127-Y129 VanDerWaalsContact C-N 3.29Å; L127-Y129 HydrophobicContact CB-CD1 3.71Å; L127-Y129 HydrophobicContact CB-CE1 3.56Å; L127-Y129 HydrophobicContact CD1-CE1 3.8Å; L127-Y129 HydrophobicContact CG-CE1 4.33Å; L127-Y129 PolarHBondContact O-N 2.99Å |
| 128 | G | 93 | Very high | 93.8 | Very high | 7 Ų | 7 | 61.4 Ų | 61.4 | 7% | 0.072 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 73.8 | 18.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y92 L93 S126 | Y92-G128 PolarHBondContact N-O 2.6Å; L93-G128 PolarHBondContact N-O 3.5Å; L93-G128 WeakPolarHBondContact O-CA 3.25Å; S126-G128 PolarHBondContact O-N 3.42Å; S126-G128 PolarHBondContact OG-N 3.44Å |
| 129 | Y | 95.1 | Very high | 93.9 | Very high | 75 Ų | 75 | 60.7 Ų | 60.7 | 29% | 0.294 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 157.9 | 170.8 | 75.8 | -83.3 | 0 | 0 | 0 | 112.2 | I89 V90 I118 L127 F131 | I89-Y129 HydrophobicContact CD1-CD2 4.38Å; V90-Y129 CarbonylContact O-C 3.57Å; V90-Y129 WeakPolarHBondContact O-CA 3.31Å; V90-Y129 VanDerWaalsContact O-CB 3.3Å; V90-Y129 WeakPolarHBondContact O-CB 3.44Å; I118-Y129 HydrophobicContact CB-CD2 4.31Å; I118-Y129 HydrophobicContact CB-CE1 4.23Å; I118-Y129 HydrophobicContact CB-CE2 3.95Å; I118-Y129 HydrophobicContact CG1-CD2 3.99Å; I118-Y129 HydrophobicContact CG1-CE2 3.6Å; I118-Y129 HydrophobicContact CG2-CE1 4.24Å; I118-Y129 HydrophobicContact CG2-CE2 4.3Å; I118-Y129 PolarHBondContact N-O 2.8Å; L127-Y129 VanDerWaalsContact C-N 3.29Å; L127-Y129 HydrophobicContact CB-CD1 3.71Å; L127-Y129 HydrophobicContact CB-CE1 3.56Å; L127-Y129 HydrophobicContact CD1-CE1 3.8Å; L127-Y129 HydrophobicContact CG-CE1 4.33Å; L127-Y129 PolarHBondContact O-N 2.99Å; Y129-F131 HydrophobicContact CD2-CE2 4.29Å; Y129-F131 AromaticContact CE2-CE2 3.91Å; Y129-F131 HydrophobicContact CE2-CE2 3.91Å; Y129-F131 HydrophobicContact CE2-CZ 4.34Å |
| 130 | G | 96.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 170 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V90 K116 | V90-G130 PolarHBondContact N-O 3.37Å; V90-G130 PolarHBondContact O-N 2.84Å; K116-G130 CarbonylContact O-C 3.58Å; K116-G130 VanDerWaalsContact O-CA 3.26Å; K116-G130 WeakPolarHBondContact O-CA 3.5Å |
| 131 | F | 96.9 | Very high | 94.1 | Very high | 57 Ų | 57 | 58.2 Ų | 58.2 | 25% | 0.25 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 142.3 | 174 | -64.2 | -87.7 | 0 | 0 | 0 | 110.6 | L88 I89 K116 I118 Y129 A162 | L88-F131 CarbonylContact O-C 3.53Å; L88-F131 VanDerWaalsContact O-CA 3.28Å; L88-F131 WeakPolarHBondContact O-CA 3.42Å; I89-F131 HydrophobicContact CB-CD1 4.09Å; I89-F131 HydrophobicContact CB-CE1 3.95Å; I89-F131 HydrophobicContact CD1-CE1 3.91Å; I89-F131 HydrophobicContact CD1-CZ 4.02Å; I89-F131 HydrophobicContact CG1-CD1 4.19Å; I89-F131 HydrophobicContact CG1-CE1 3.83Å; I89-F131 HydrophobicContact CG1-CZ 4.25Å; K116-F131 PolarHBondContact N-O 3.35Å; K116-F131 PolarHBondContact O-N 3.21Å; I118-F131 HydrophobicContact CD1-CD2 4.01Å; I118-F131 HydrophobicContact CD1-CE2 4.21Å; I118-F131 HydrophobicContact CG1-CD2 4.02Å; I118-F131 HydrophobicContact CG1-CE2 4.01Å; Y129-F131 HydrophobicContact CD2-CE2 4.29Å; Y129-F131 AromaticContact CE2-CE2 3.91Å; Y129-F131 HydrophobicContact CE2-CE2 3.91Å; Y129-F131 HydrophobicContact CE2-CZ 4.34Å; F131-A162 HydrophobicContact CD1-CB 4.09Å; F131-A162 HydrophobicContact CE1-CB 4.2Å |
| 132 | V | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 112.3 | -179.9 | 179.7 | 0 | 0 | 0 | 0 | 107.9 | L88 V90 M102 F106 L112 Y134 | L88-V132 HydrophobicContact CB-CB 4.48Å; L88-V132 WeakPolarHBondContact CB-O 3.33Å; L88-V132 PolarHBondContact N-O 3.46Å; L88-V132 PolarHBondContact O-N 2.84Å; V90-V132 HydrophobicContact CG2-CG2 3.95Å; M102-V132 HydrophobicContact CE-CG2 4.07Å; M102-V132 HydrophobicContact CG-CG2 4.41Å; M102-V132 HydrophobicContact SD-CG2 4.41Å; F106-V132 HydrophobicContact CB-CG1 3.89Å; F106-V132 HydrophobicContact CB-CG2 4.46Å; F106-V132 HydrophobicContact CD1-CB 4.29Å; F106-V132 HydrophobicContact CD1-CG1 3.96Å; F106-V132 HydrophobicContact CD1-CG2 4.16Å; F106-V132 HydrophobicContact CD2-CG2 4.25Å; F106-V132 HydrophobicContact CG-CB 4.5Å; F106-V132 HydrophobicContact CG-CG1 4.05Å; F106-V132 HydrophobicContact CG-CG2 4.02Å; L112-V132 HydrophobicContact CD1-CG1 4.24Å; L112-V132 HydrophobicContact CD2-CG1 3.62Å; V132-Y134 HydrophobicContact CG1-CD2 4.29Å; V132-Y134 HydrophobicContact CG1-CE2 3.84Å |
| 133 | N | 96.1 | Very high | 94.7 | Very high | 47 Ų | 47 | 45.8 Ų | 45.8 | 25% | 0.251 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 121.5 | 174.9 | -164.6 | 24.9 | 0 | 0 | 0 | 109.2 | T86 N87 L112 A113 S114 | T86-N133 WeakPolarHBondContact CB-OD1 3.46Å; T86-N133 PolarHBondContact O-OD1 3.43Å; T86-N133 PolarHBondContact OG1-OD1 2.79Å; N87-N133 WeakPolarHBondContact CA-OD1 3.44Å; N87-N133 PolarHBondContact N-OD1 3.07Å; L112-N133 CarbonylContact C-O 3.41Å; A113-N133 PolarHBondContact N-O 2.84Å; S114-N133 PolarHBondContact N-O 2.87Å; S114-N133 PolarHBondContact O-N 2.97Å |
| 134 | Y | 96.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 166.1 | 171 | -77.2 | -91.3 | 0 | 0 | 0 | 111.1 | T86 L88 F106 I109 K111 L112 V132 D136 D139 A140 A143 | T86-Y134 WeakPolarHBondContact CB-O 3.46Å; T86-Y134 PolarHBondContact O-N 3.02Å; L88-Y134 HydrophobicContact CD1-CD2 4.2Å; L88-Y134 HydrophobicContact CD1-CE2 3.77Å; L88-Y134 HydrophobicContact CG-CD2 4.5Å; L88-Y134 HydrophobicContact CG-CE2 4.49Å; F106-Y134 WeakPolarHBondContact CB-OH 3.38Å; F106-Y134 HydrophobicContact CD1-CE2 4.3Å; F106-Y134 WeakPolarHBondContact CD1-OH 3.32Å; F106-Y134 PolarHBondContact O-OH 3.21Å; I109-Y134 HydrophobicContact CB-CE1 4.43Å; K111-Y134 WeakPolarHBondContact O-CA 3.1Å; L112-Y134 HydrophobicContact CD2-CD1 3.69Å; L112-Y134 HydrophobicContact CD2-CD2 4.31Å; L112-Y134 HydrophobicContact CD2-CE1 3.34Å; L112-Y134 HydrophobicContact CD2-CE2 4.01Å; L112-Y134 HydrophobicContact CD2-CG 4.16Å; V132-Y134 HydrophobicContact CG1-CD2 4.29Å; V132-Y134 HydrophobicContact CG1-CE2 3.84Å; Y134-D136 WeakPolarHBondContact CB-O 3.23Å; Y134-D139 HydrophobicContact CD1-CB 3.44Å; Y134-D139 VanDerWaalsContact CD1-CB 3.44Å; Y134-D139 HydrophobicContact CE1-CB 4.02Å; Y134-D139 HydrophobicContact CG-CB 3.97Å; Y134-A140 HydrophobicContact CD2-CB 3.76Å; Y134-A140 HydrophobicContact CG-CB 4.22Å; Y134-A143 HydrophobicContact CE2-CB 3.67Å; Y134-A143 VanDerWaalsContact OH-CB 3.31Å; Y134-A143 WeakPolarHBondContact OH-CB 3.35Å |
| 135 | V | 95 | Very high | 95.1 | Very high | 71 Ų | 71 | 51 Ų | 51 | 43% | 0.43 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -74.6 | -41.8 | 164.2 | 177.1 | 0 | 0 | 0 | 0 | 109.9 | K111 A113 | K111-V135 HydrophobicContact CB-CB 4.47Å; K111-V135 HydrophobicContact CB-CG2 4.14Å; K111-V135 HydrophobicContact CD-CG2 3.97Å; K111-V135 HydrophobicContact CG-CG2 3.84Å; K111-V135 PolarHBondContact O-N 3.43Å; A113-V135 HydrophobicContact CB-CG2 4.06Å |
| 136 | D | 94.4 | Very high | 95.3 | Very high | 79 Ų | 79 | 48.9 Ų | 48.9 | 42% | 0.422 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -111.4 | 134.2 | -173 | -58.6 | -82.4 | 0 | 0 | 0 | 112 | Y134 S138 D139 A140 | Y134-D136 WeakPolarHBondContact CB-O 3.23Å; D136-S138 VanDerWaalsContact C-N 3.26Å; D136-S138 PolarHBondContact O-N 3.41Å; D136-D139 HydrophobicContact CB-CB 4.28Å; D136-D139 WeakPolarHBondContact O-CB 3.42Å; D136-D139 PolarHBondContact O-N 3.24Å; D136-D139 VanDerWaalsContact O-N 3.08Å; D136-A140 PolarHBondContact O-N 3.43Å |
| 137 | A | 94 | Very high | 95.4 | Very high | 32 Ų | 32 | 49.5 Ų | 49.5 | 26% | 0.264 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.8 | -32.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R85 T86 D139 A140 E141 | R85-A137 HydrophobicContact CB-CB 3.92Å; T86-A137 HydrophobicContact CG2-CB 4.1Å; A137-D139 VanDerWaalsContact C-N 3.29Å; A137-D139 PolarHBondContact O-N 3.17Å; A137-A140 PolarHBondContact O-N 3.4Å; A137-E141 PolarHBondContact O-N 2.78Å |
| 138 | S | 95.2 | Very high | 95.5 | Very high | 79 Ų | 79 | 48.8 Ų | 48.8 | 55% | 0.552 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -59.3 | -38.9 | 172.5 | -54.6 | 0 | 0 | 0 | 0 | 112.2 | D136 E141 R142 | D136-S138 VanDerWaalsContact C-N 3.26Å; D136-S138 PolarHBondContact O-N 3.41Å; S138-E141 PolarHBondContact O-N 2.87Å; S138-R142 WeakPolarHBondContact O-CG 3.4Å; S138-R142 PolarHBondContact O-N 2.99Å |
| 139 | D | 96.3 | Very high | 95.6 | Very high | 17 Ų | 17 | 56.4 Ų | 56.4 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -71.1 | -38.2 | -179.8 | -71.1 | 12.4 | 0 | 0 | 0 | 111 | G110 K111 Y134 D136 A137 R142 A143 | G110-D139 WeakPolarHBondContact CA-OD2 3.47Å; K111-D139 PolarHBondContact N-OD2 3.47Å; Y134-D139 HydrophobicContact CD1-CB 3.44Å; Y134-D139 VanDerWaalsContact CD1-CB 3.44Å; Y134-D139 HydrophobicContact CE1-CB 4.02Å; Y134-D139 HydrophobicContact CG-CB 3.97Å; D136-D139 HydrophobicContact CB-CB 4.28Å; D136-D139 WeakPolarHBondContact O-CB 3.42Å; D136-D139 PolarHBondContact O-N 3.24Å; D136-D139 VanDerWaalsContact O-N 3.08Å; A137-D139 VanDerWaalsContact C-N 3.29Å; A137-D139 PolarHBondContact O-N 3.17Å; D139-R142 PolarHBondContact O-N 3.1Å; D139-R142 IonicContact OD1-CZ 2.81Å; D139-R142 IonicContact OD1-NH1 3.06Å; D139-R142 PolarHBondContact OD1-NH1 3Å; D139-R142 IonicContact OD1-NH2 2.75Å; D139-R142 PolarHBondContact OD1-NH2 2.94Å; D139-R142 IonicContact OD2-NH2 3.63Å; D139-A143 WeakPolarHBondContact O-CB 3.48Å; D139-A143 PolarHBondContact O-N 3.42Å |
| 140 | A | 96.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.8 | -42 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R85 L88 Y134 D136 A137 A143 I144 | R85-A140 VanDerWaalsContact O-CB 3.31Å; R85-A140 WeakPolarHBondContact O-CB 3.32Å; L88-A140 HydrophobicContact CD1-CB 4.4Å; L88-A140 HydrophobicContact CD2-CB 4.02Å; L88-A140 HydrophobicContact CG-CB 4.17Å; Y134-A140 HydrophobicContact CD2-CB 3.76Å; Y134-A140 HydrophobicContact CG-CB 4.22Å; D136-A140 PolarHBondContact O-N 3.43Å; A137-A140 PolarHBondContact O-N 3.4Å; A140-A143 PolarHBondContact O-N 3.22Å; A140-I144 WeakPolarHBondContact O-CG1 3.42Å; A140-I144 PolarHBondContact O-N 3.21Å |
| 141 | E | 95.3 | Very high | 95.4 | Very high | 102 Ų | 102 | 64 Ų | 64 | 48% | 0.477 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.6 | -40.7 | 175.5 | -161 | -145.3 | -148.8 | 0 | 0 | 112.2 | A137 S138 A143 I144 R145 | A137-E141 PolarHBondContact O-N 2.78Å; S138-E141 PolarHBondContact O-N 2.87Å; E141-A143 PolarHBondContact O-N 3.47Å; E141-I144 PolarHBondContact O-N 3.35Å; E141-R145 WeakPolarHBondContact O-CG 3.32Å; E141-R145 PolarHBondContact O-N 2.84Å; E141-R145 IonicContact OE2-CZ 2.66Å; E141-R145 VanDerWaalsContact OE2-CZ 3.3Å; E141-R145 IonicContact OE2-NE 2.69Å; E141-R145 PolarHBondContact OE2-NE 2.57Å; E141-R145 IonicContact OE2-NH2 2.7Å; E141-R145 PolarHBondContact OE2-NH2 2.8Å |
| 142 | R | 96.2 | Very high | 95.1 | Very high | 109 Ų | 109 | 63 Ų | 63 | 41% | 0.411 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -57.4 | -39.4 | 169.9 | -71.2 | -161.6 | -49.1 | -101.5 | 5 | 111.1 | I109 S138 D139 R145 A146 | I109-R142 HydrophobicContact CG2-CB 3.57Å; I109-R142 PolarHBondContact O-NH2 3.1Å; S138-R142 WeakPolarHBondContact O-CG 3.4Å; S138-R142 PolarHBondContact O-N 2.99Å; D139-R142 PolarHBondContact O-N 3.1Å; D139-R142 IonicContact OD1-CZ 2.81Å; D139-R142 IonicContact OD1-NH1 3.06Å; D139-R142 PolarHBondContact OD1-NH1 3Å; D139-R142 IonicContact OD1-NH2 2.75Å; D139-R142 PolarHBondContact OD1-NH2 2.94Å; D139-R142 IonicContact OD2-NH2 3.63Å; R142-R145 PolarHBondContact O-N 2.93Å; R142-A146 VanDerWaalsContact O-CB 3.27Å; R142-A146 WeakPolarHBondContact O-CB 3.34Å; R142-A146 PolarHBondContact O-N 3.2Å |
| 143 | A | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -70.9 | -37.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L88 F106 I109 Y134 D139 A140 E141 L147 | L88-A143 HydrophobicContact CD1-CB 3.85Å; F106-A143 HydrophobicContact CD1-CB 4.41Å; I109-A143 HydrophobicContact CB-CB 4.25Å; I109-A143 HydrophobicContact CG1-CB 4.23Å; I109-A143 HydrophobicContact CG2-CB 3.98Å; Y134-A143 HydrophobicContact CE2-CB 3.67Å; Y134-A143 VanDerWaalsContact OH-CB 3.31Å; Y134-A143 WeakPolarHBondContact OH-CB 3.35Å; D139-A143 WeakPolarHBondContact O-CB 3.48Å; D139-A143 PolarHBondContact O-N 3.42Å; A140-A143 PolarHBondContact O-N 3.22Å; E141-A143 PolarHBondContact O-N 3.47Å; A143-L147 VanDerWaalsContact O-CB 3.31Å; A143-L147 WeakPolarHBondContact O-CB 3.32Å; A143-L147 PolarHBondContact O-N 3.01Å |
| 144 | I | 96.1 | Very high | 94.4 | Very high | 40 Ų | 40 | 72.4 Ų | 72.4 | 21% | 0.205 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.7 | -49.2 | 167.8 | -65.8 | 166.6 | 0 | 0 | 0 | 109.8 | L88 A140 E141 A146 N148 V159 L161 | L88-I144 HydrophobicContact CD1-CG1 4.27Å; L88-I144 HydrophobicContact CD2-CD1 3.64Å; L88-I144 HydrophobicContact CD2-CG1 3.7Å; A140-I144 WeakPolarHBondContact O-CG1 3.42Å; A140-I144 PolarHBondContact O-N 3.21Å; E141-I144 PolarHBondContact O-N 3.35Å; I144-A146 PolarHBondContact O-N 3.32Å; I144-N148 WeakPolarHBondContact O-CB 3.41Å; I144-N148 PolarHBondContact O-N 3.33Å; I144-V159 HydrophobicContact CG1-CG1 4.12Å; I144-L161 HydrophobicContact CD1-CD2 3.98Å; I144-L161 HydrophobicContact CD1-CG 3.93Å |
| 145 | R | 95.7 | Very high | 94.1 | Very high | 176 Ų | 176 | 75.5 Ų | 75.5 | 66% | 0.664 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -66 | -33.7 | -177.2 | -71.2 | -170.2 | -82.1 | 147.9 | -11.4 | 113.8 | E141 R142 | E141-R145 WeakPolarHBondContact O-CG 3.32Å; E141-R145 PolarHBondContact O-N 2.84Å; E141-R145 IonicContact OE2-CZ 2.66Å; E141-R145 VanDerWaalsContact OE2-CZ 3.3Å; E141-R145 IonicContact OE2-NE 2.69Å; E141-R145 PolarHBondContact OE2-NE 2.57Å; E141-R145 IonicContact OE2-NH2 2.7Å; E141-R145 PolarHBondContact OE2-NH2 2.8Å; R142-R145 PolarHBondContact O-N 2.93Å |
| 146 | A | 94.9 | Very high | 94.1 | Very high | 61 Ų | 61 | 75.7 Ų | 75.7 | 50% | 0.504 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -95.1 | -31.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | I109 R142 I144 | I109-A146 HydrophobicContact CD1-CB 3.87Å; R142-A146 VanDerWaalsContact O-CB 3.27Å; R142-A146 WeakPolarHBondContact O-CB 3.34Å; R142-A146 PolarHBondContact O-N 3.2Å; I144-A146 PolarHBondContact O-N 3.32Å |
| 147 | L | 95 | Very high | 94.1 | Very high | 14 Ų | 14 | 72 Ų | 72 | 7% | 0.073 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -110.3 | -16.1 | -172.1 | -57.3 | 177.7 | 0 | 0 | 0 | 113.9 | L105 F106 I109 A143 M150 I157 V159 | L105-L147 HydrophobicContact CD1-CD2 4.1Å; L105-L147 HydrophobicContact CG-CD1 4.41Å; F106-L147 HydrophobicContact CD1-CD1 3.69Å; F106-L147 HydrophobicContact CD2-CD1 4.22Å; F106-L147 HydrophobicContact CE1-CD1 3.68Å; F106-L147 HydrophobicContact CE2-CD1 4.23Å; F106-L147 HydrophobicContact CG-CD1 3.96Å; F106-L147 HydrophobicContact CZ-CB 4.46Å; F106-L147 HydrophobicContact CZ-CD1 3.95Å; I109-L147 HydrophobicContact CD1-CG 4.49Å; I109-L147 HydrophobicContact CG1-CD1 3.94Å; I109-L147 HydrophobicContact CG1-CG 4.26Å; A143-L147 VanDerWaalsContact O-CB 3.31Å; A143-L147 WeakPolarHBondContact O-CB 3.32Å; A143-L147 PolarHBondContact O-N 3.01Å; L147-M150 HydrophobicContact CD2-CE 4.4Å; L147-M150 HydrophobicContact CD2-SD 4.08Å; L147-M150 VanDerWaalsContact O-CB 3.24Å; L147-M150 WeakPolarHBondContact O-CB 3.43Å; L147-M150 PolarHBondContact O-N 2.7Å; L147-I157 WeakPolarHBondContact O-CD1 3.35Å; L147-I157 WeakPolarHBondContact O-CG1 3.33Å; L147-V159 HydrophobicContact CB-CG2 4.16Å |
| 148 | N | 94.2 | Very high | 94.1 | Very high | 56 Ų | 56 | 73.8 Ų | 73.8 | 30% | 0.299 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 140.4 | 172.8 | -169.5 | 24.7 | 0 | 0 | 0 | 110.6 | I144 M150 K158 V159 | I144-N148 WeakPolarHBondContact O-CB 3.41Å; I144-N148 PolarHBondContact O-N 3.33Å; N148-M150 PolarHBondContact O-N 3.37Å; N148-K158 WeakPolarHBondContact OD1-CA 3.25Å; N148-V159 HydrophobicContact CB-CB 4.01Å; N148-V159 PolarHBondContact OD1-N 3.44Å; N148-V159 PolarHBondContact OD1-O 2.93Å |
| 149 | K | 93.5 | Very high | 94.2 | Very high | 167 Ų | 167 | 70 Ų | 70 | 73% | 0.726 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 10.9 | -172.2 | -52.1 | -178.5 | -179.6 | 179.4 | 0 | 115.3 | T156 I157 | K149-T156 HydrophobicContact CB-CG2 4.28Å; K149-T156 VanDerWaalsContact O-CG2 3.32Å; K149-T156 WeakPolarHBondContact O-CG2 3.34Å; K149-I157 WeakPolarHBondContact CA-O 3.4Å; K149-I157 PolarHBondContact N-O 3.16Å |
| 150 | M | 93.5 | Very high | 94.1 | Very high | 54 Ų | 54 | 71 Ų | 71 | 27% | 0.266 | 34% | 0.336 | S | S | . | . | trans | -67.8 | 137.9 | 172.1 | -170.6 | -173.6 | 61.5 | 0 | 0 | 110.8 | L105 L147 N148 L152 I157 | L105-M150 HydrophobicContact CD1-CE 3.69Å; L105-M150 HydrophobicContact CD1-SD 4.27Å; L105-M150 HydrophobicContact CD2-CE 3.58Å; L105-M150 HydrophobicContact CG-CE 4.23Å; L147-M150 HydrophobicContact CD2-CE 4.4Å; L147-M150 HydrophobicContact CD2-SD 4.08Å; L147-M150 VanDerWaalsContact O-CB 3.24Å; L147-M150 WeakPolarHBondContact O-CB 3.43Å; L147-M150 PolarHBondContact O-N 2.7Å; N148-M150 PolarHBondContact O-N 3.37Å; M150-L152 HydrophobicContact CE-CD1 4.17Å; M150-L152 HydrophobicContact CE-CD2 3.64Å; M150-L152 HydrophobicContact CE-CG 3.88Å; M150-I157 HydrophobicContact CB-CD1 4.37Å; M150-I157 HydrophobicContact CB-CG1 4.22Å; M150-I157 HydrophobicContact CE-CD1 3.82Å; M150-I157 PolarHBondContact O-N 3.07Å | ||
| 151 | R | 93.7 | Very high | 94 | Very high | 180 Ų | 180 | 75 Ų | 75 | 68% | 0.679 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 126.9 | 177.5 | -175.7 | -179.6 | 169.8 | 125.4 | -0.3 | 111.3 | Q153 K155 | R151-Q153 PolarHBondContact NE-O 2.85Å; R151-Q153 PolarHBondContact NH2-O 2.77Å; R151-K155 CarbonylContact C-O 3.55Å; R151-K155 WeakPolarHBondContact CA-O 3.4Å |
| 152 | L | 91.3 | Very high | 93.9 | Very high | 38 Ų | 38 | 70.5 Ų | 70.5 | 20% | 0.199 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 117.8 | 169.7 | -66.2 | -177.6 | 0 | 0 | 0 | 109.5 | P94 M97 L105 M150 N154 K155 I157 | P94-L152 HydrophobicContact CG-CB 3.97Å; M97-L152 HydrophobicContact CE-CD1 3.93Å; M97-L152 HydrophobicContact SD-CD1 3.84Å; L105-L152 HydrophobicContact CD2-CD1 4.15Å; M150-L152 HydrophobicContact CE-CD1 4.17Å; M150-L152 HydrophobicContact CE-CD2 3.64Å; M150-L152 HydrophobicContact CE-CG 3.88Å; L152-N154 PolarHBondContact O-N 3.03Å; L152-K155 PolarHBondContact N-O 3.01Å; L152-K155 PolarHBondContact O-N 3.42Å; L152-K155 VanDerWaalsContact O-O 3.06Å; L152-I157 HydrophobicContact CB-CG2 4.42Å; L152-I157 HydrophobicContact CD1-CG2 3.81Å; L152-I157 HydrophobicContact CG-CG2 4.11Å |
| 153 | Q | 89 | Confident | 93.5 | Very high | 119 Ų | 119 | 67.9 Ų | 67.9 | 56% | 0.556 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | -108.3 | -175.8 | -57.2 | 175.7 | -1.2 | 0 | 0 | 112.5 | P94 T96 R151 | P94-Q153 HydrophobicContact CG-CB 4.41Å; P94-Q153 HydrophobicContact CG-CG 4.29Å; T96-Q153 PolarHBondContact OG1-NE2 3.32Å; R151-Q153 PolarHBondContact NE-O 2.85Å; R151-Q153 PolarHBondContact NH2-O 2.77Å |
| 154 | N | 88.5 | Confident | 92.9 | Very high | 125 Ų | 125 | 71.3 Ų | 71.3 | 67% | 0.668 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | 8.6 | 179.4 | 64.4 | -3.7 | 0 | 0 | 0 | 113.6 | L152 | L152-N154 PolarHBondContact O-N 3.03Š|
| 155 | K | 92.2 | Very high | 92.2 | Very high | 66 Ų | 66 | 73.7 Ų | 73.7 | 29% | 0.287 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 159.6 | 178.4 | -59.3 | -173.4 | -172.5 | -177.4 | 0 | 111.9 | Y92 L93 R151 L152 | Y92-K155 VanDerWaalsContact O-CB 3.23Å; Y92-K155 WeakPolarHBondContact O-CB 3.17Å; Y92-K155 WeakPolarHBondContact O-CD 3.32Å; L93-K155 WeakPolarHBondContact O-CD 3.32Å; L93-K155 PolarHBondContact O-NZ 2.85Å; R151-K155 CarbonylContact C-O 3.55Å; R151-K155 WeakPolarHBondContact CA-O 3.4Å; L152-K155 PolarHBondContact N-O 3.01Å; L152-K155 PolarHBondContact O-N 3.42Å; L152-K155 VanDerWaalsContact O-O 3.06Å |
| 156 | T | 94 | Very high | 91.3 | Very high | 75 Ų | 75 | 66 Ų | 66 | 46% | 0.46 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 118.8 | 172.2 | -59.1 | 0 | 0 | 0 | 0 | 107.5 | Y92 K149 | Y92-T156 WeakPolarHBondContact CB-O 3.43Å; K149-T156 HydrophobicContact CB-CG2 4.28Å; K149-T156 VanDerWaalsContact O-CG2 3.32Å; K149-T156 WeakPolarHBondContact O-CG2 3.34Å |
| 157 | I | 95.3 | Very high | 90.6 | Very high | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | trans | -77.8 | 141.4 | -172.8 | 72.9 | 176.3 | 0 | 0 | 0 | 111.2 | V90 N91 L93 L147 K149 M150 L152 V159 | V90-I157 HydrophobicContact CG1-CD1 4.34Å; N91-I157 WeakPolarHBondContact O-CA 3.19Å; L93-I157 HydrophobicContact CD2-CG2 4Å; L147-I157 WeakPolarHBondContact O-CD1 3.35Å; L147-I157 WeakPolarHBondContact O-CG1 3.33Å; K149-I157 WeakPolarHBondContact CA-O 3.4Å; K149-I157 PolarHBondContact N-O 3.16Å; M150-I157 HydrophobicContact CB-CD1 4.37Å; M150-I157 HydrophobicContact CB-CG1 4.22Å; M150-I157 HydrophobicContact CE-CD1 3.82Å; M150-I157 PolarHBondContact O-N 3.07Å; L152-I157 HydrophobicContact CB-CG2 4.42Å; L152-I157 HydrophobicContact CD1-CG2 3.81Å; L152-I157 HydrophobicContact CG-CG2 4.11Å; I157-V159 HydrophobicContact CD1-CG2 3.94Å; I157-V159 HydrophobicContact CG1-CG2 4.12Å | ||
| 158 | K | 94.6 | Very high | 89.9 | Confident | 69 Ų | 69 | 65.3 Ų | 65.3 | 30% | 0.3 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 116.1 | 169.3 | 178.7 | 174.3 | 177.4 | 174.9 | 0 | 108.7 | N91 Y92 N148 I199 T200 | N91-K158 HydrophobicContact CB-CB 4.32Å; N91-K158 PolarHBondContact N-O 2.85Å; N91-K158 PolarHBondContact O-N 3.33Å; Y92-K158 HydrophobicContact CD2-CB 3.91Å; Y92-K158 HydrophobicContact CE2-CB 3.87Å; N148-K158 WeakPolarHBondContact OD1-CA 3.25Å; K158-I199 PolarHBondContact NZ-O 2.86Å; K158-T200 HydrophobicContact CD-CG2 4.47Å |
| 159 | V | 96.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 127.7 | 176 | -173.9 | 0 | 0 | 0 | 0 | 108 | L88 V90 F106 I144 L147 N148 I157 | L88-V159 HydrophobicContact CD1-CG1 3.82Å; V90-V159 HydrophobicContact CG1-CG2 4.28Å; F106-V159 HydrophobicContact CE1-CG1 3.99Å; F106-V159 HydrophobicContact CE1-CG2 4.22Å; F106-V159 HydrophobicContact CZ-CG1 4.39Å; F106-V159 HydrophobicContact CZ-CG2 3.84Å; I144-V159 HydrophobicContact CG1-CG1 4.12Å; L147-V159 HydrophobicContact CB-CG2 4.16Å; N148-V159 HydrophobicContact CB-CB 4.01Å; N148-V159 PolarHBondContact OD1-N 3.44Å; N148-V159 PolarHBondContact OD1-O 2.93Å; I157-V159 HydrophobicContact CD1-CG2 3.94Å; I157-V159 HydrophobicContact CG1-CG2 4.12Å |
| 160 | S | 94.5 | Very high | 88.9 | Confident | 37 Ų | 37 | 61.6 Ų | 61.6 | 26% | 0.259 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 165.4 | 176.2 | 59.5 | 0 | 0 | 0 | 0 | 110.3 | L88 I89 A162 | L88-S160 CarbonylContact C-O 3.55Å; L88-S160 WeakPolarHBondContact CA-O 3.13Å; I89-S160 WeakPolarHBondContact CG2-OG 3.46Å; I89-S160 PolarHBondContact N-O 2.78Å; I89-S160 PolarHBondContact O-N 2.89Å; S160-A162 PolarHBondContact O-N 3.28Å |
| 161 | L | 94.1 | Very high | 88.5 | Confident | 83 Ų | 83 | 61.1 Ų | 61.1 | 44% | 0.435 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51 | 138.2 | 166.5 | -66.6 | 176.8 | 0 | 0 | 0 | 110.2 | R85 L88 I144 | R85-L161 WeakPolarHBondContact O-CD2 3.39Å; L88-L161 HydrophobicContact CD2-CD2 3.93Å; I144-L161 HydrophobicContact CD1-CD2 3.98Å; I144-L161 HydrophobicContact CD1-CG 3.93Å |
| 162 | A | 92.9 | Very high | 88.4 | Confident | 8 Ų | 8 | 52.6 Ų | 52.6 | 7% | 0.066 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 144.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109 | N87 I89 F131 S160 | N87-A162 HydrophobicContact CB-CB 4.12Å; N87-A162 WeakPolarHBondContact O-CB 3.12Å; N87-A162 PolarHBondContact O-N 2.92Å; I89-A162 HydrophobicContact CB-CB 4.33Å; F131-A162 HydrophobicContact CD1-CB 4.09Å; F131-A162 HydrophobicContact CE1-CB 4.2Å; S160-A162 PolarHBondContact O-N 3.28Å |
| 163 | R | 87.8 | Confident | 88.6 | Confident | 54 Ų | 54 | 52.9 Ų | 52.9 | 20% | 0.204 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -89.7 | 149.4 | 168.6 | -63.1 | -177.3 | -63.3 | 156.4 | 5.8 | 108.9 | D221 | R163-D221 WeakPolarHBondContact CD-OD1 3.15Å; R163-D221 IonicContact CZ-OD1 2.55Å; R163-D221 IonicContact NE-OD1 2.94Å; R163-D221 PolarHBondContact NH1-O 3.18Å; R163-D221 IonicContact NH1-OD1 3.23Å; R163-D221 PolarHBondContact NH1-OD1 3.17Å |
| 164 | P | 84.1 | Confident | 88.9 | Confident | 72 Ų | 72 | 47.2 Ų | 47.2 | 47% | 0.468 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 146.1 | 167.9 | 25 | -34.4 | 0 | 0 | 0 | 110.1 | C166 | P164-C166 VanDerWaalsContact C-N 3.34Å; P164-C166 PolarHBondContact O-N 2.86Å |
| 165 | S | 80.9 | Confident | 89.3 | Confident | 90 Ų | 90 | 44.2 Ų | 44.2 | 63% | 0.629 | 24% | 0.244 | S | C | * | . | trans | -87.1 | 66.9 | -169.5 | -66.6 | 0 | 0 | 0 | 0 | 112.7 | N765 | S165-N765 PolarHBondContact O-ND2 3.43Š| ||
| 166 | C | 77.4 | Confident | 89.4 | Confident | 14 Ų | 14 | 41 Ų | 41 | 10% | 0.095 | 23% | 0.231 | C | C | . | . | trans | -84.4 | 155.1 | 174.3 | 45.9 | 0 | 0 | 0 | 0 | 114.3 | P164 S168 I169 N765 | P164-C166 VanDerWaalsContact C-N 3.34Å; P164-C166 PolarHBondContact O-N 2.86Å; C166-S168 PolarHBondContact O-N 3.05Å; C166-S168 PolarHBondContact SG-OG 3.42Å; C166-I169 WeakPolarHBondContact O-CG1 3.3Å; C166-I169 PolarHBondContact O-N 2.83Å; C166-I169 VanDerWaalsContact SG-CG2 3.56Å; C166-N765 WeakPolarHBondContact CA-OD1 3.5Å; C166-N765 VanDerWaalsContact CB-OD1 3.29Å; C166-N765 WeakPolarHBondContact CB-OD1 3.27Å | ||
| 167 | E | 80.2 | Confident | 89.4 | Confident | 49 Ų | 49 | 39 Ų | 39 | 23% | 0.229 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -66.1 | -31.7 | 177.1 | -161.4 | 63.5 | -157.4 | 0 | 0 | 112.1 | I169 K170 E768 | E167-I169 PolarHBondContact O-N 3.05Å; E167-I169 VanDerWaalsContact O-N 3.08Å; E167-K170 WeakPolarHBondContact O-CA 3.37Å; E167-K170 WeakPolarHBondContact O-CB 3.29Å; E167-K170 PolarHBondContact O-N 3.18Å; E167-K170 WeakPolarHBondContact OE1-CD 3.32Å; E167-K170 VanDerWaalsContact OE1-CE 3.28Å; E167-K170 WeakPolarHBondContact OE1-CE 3.46Å; E167-K170 IonicContact OE1-NZ 2.7Å; E167-K170 PolarHBondContact OE1-NZ 3.4Å; E167-K170 WeakPolarHBondContact OE2-CE 3.05Å; E167-K170 IonicContact OE2-NZ 2.76Å; E167-K170 PolarHBondContact OE2-NZ 2.64Å; E167-E768 HydrophobicContact CB-CB 3.73Å; E167-E768 HydrophobicContact CB-CG 3.69Å; E167-E768 VanDerWaalsContact CD-OE1 3.28Å; E167-E768 HydrophobicContact CG-CB 4.35Å; E167-E768 VanDerWaalsContact CG-CD 3.46Å; E167-E768 HydrophobicContact CG-CG 3.74Å; E167-E768 VanDerWaalsContact CG-OE1 3.29Å; E167-E768 WeakPolarHBondContact CG-OE1 3.42Å |
| 168 | S | 80.1 | Confident | 89.1 | Confident | 12 Ų | 12 | 40.1 Ų | 40.1 | 8% | 0.084 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -59.5 | -18.1 | 174.7 | 62 | 0 | 0 | 0 | 0 | 113.9 | C166 Q222 R223 | C166-S168 PolarHBondContact O-N 3.05Å; C166-S168 PolarHBondContact SG-OG 3.42Å; S168-Q222 CarbonylContact O-C 3.49Å; S168-Q222 WeakPolarHBondContact O-CA 3.4Å; S168-Q222 PolarHBondContact OG-OE1 2.86Å; S168-R223 WeakPolarHBondContact O-CB 3.45Å; S168-R223 PolarHBondContact O-N 3.42Å |
| 169 | I | 83.3 | Confident | 89 | Confident | 25 Ų | 25 | 37.2 Ų | 37.2 | 13% | 0.128 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -88.8 | -5.8 | 171.3 | 67.2 | 148 | 0 | 0 | 0 | 114.4 | C166 E167 R219 D221 | C166-I169 WeakPolarHBondContact O-CG1 3.3Å; C166-I169 PolarHBondContact O-N 2.83Å; C166-I169 VanDerWaalsContact SG-CG2 3.56Å; E167-I169 PolarHBondContact O-N 3.05Å; E167-I169 VanDerWaalsContact O-N 3.08Å; I169-R219 PolarHBondContact O-NH2 3.01Å; I169-R219 VanDerWaalsContact O-NH2 3.17Å; I169-D221 WeakPolarHBondContact CG2-O 2.96Å |
| 170 | K | 83.6 | Confident | 88.7 | Confident | 120 Ų | 120 | 38.4 Ų | 38.4 | 52% | 0.522 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -89 | 158 | 164.2 | -52.2 | -159 | -143 | 136.4 | 0 | 109.4 | E167 A172 | E167-K170 WeakPolarHBondContact O-CA 3.37Å; E167-K170 WeakPolarHBondContact O-CB 3.29Å; E167-K170 PolarHBondContact O-N 3.18Å; E167-K170 WeakPolarHBondContact OE1-CD 3.32Å; E167-K170 VanDerWaalsContact OE1-CE 3.28Å; E167-K170 WeakPolarHBondContact OE1-CE 3.46Å; E167-K170 IonicContact OE1-NZ 2.7Å; E167-K170 PolarHBondContact OE1-NZ 3.4Å; E167-K170 WeakPolarHBondContact OE2-CE 3.05Å; E167-K170 IonicContact OE2-NZ 2.76Å; E167-K170 PolarHBondContact OE2-NZ 2.64Å; K170-A172 PolarHBondContact O-N 3.05Å |
| 171 | G | 84.5 | Confident | 88.3 | Confident | 45 Ų | 45 | 43.9 Ų | 43.9 | 46% | 0.464 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 69.3 | -23.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | N173 F250 | G171-N173 PolarHBondContact O-N 2.75Å; G171-F250 WeakPolarHBondContact O-CD1 3.46Å; G171-F250 WeakPolarHBondContact O-CE1 3.33Å |
| 172 | A | 92.4 | Very high | 88.1 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | trans | -66.3 | 27.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | K170 R219 F220 R223 | K170-A172 PolarHBondContact O-N 3.05Å; A172-R219 CarbonylContact O-C 3.5Å; A172-R219 WeakPolarHBondContact O-CA 3.33Å; A172-R219 WeakPolarHBondContact O-CG 3.24Å; A172-F220 PolarHBondContact O-N 3.38Å; A172-R223 HydrophobicContact CB-CB 4.49Å | ||
| 173 | N | 94.7 | Very high | 87.9 | Confident | 44 Ų | 44 | 48.6 Ų | 48.6 | 24% | 0.235 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 123.6 | 177.7 | -170.5 | 44.9 | 0 | 0 | 0 | 109.9 | G171 R219 A251 | G171-N173 PolarHBondContact O-N 2.75Å; N173-R219 HydrophobicContact CB-CG 4.31Å; N173-A251 HydrophobicContact CB-CB 4.37Å; N173-A251 WeakPolarHBondContact ND2-CB 3.42Å; N173-A251 WeakPolarHBondContact O-CB 3.46Å; N173-A251 PolarHBondContact O-N 2.95Å |
| 174 | L | 96.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 147.1 | -178.3 | -60 | -176.1 | 0 | 0 | 0 | 111.6 | F217 I218 F220 A226 A229 I230 V248 K249 F250 | L174-F217 VanDerWaalsContact O-CA 3.25Å; L174-F217 WeakPolarHBondContact O-CA 3.33Å; L174-F217 WeakPolarHBondContact O-CD1 3.31Å; L174-I218 PolarHBondContact N-O 3.21Å; L174-I218 PolarHBondContact O-N 3Å; L174-F220 HydrophobicContact CD1-CD2 4.1Å; L174-F220 HydrophobicContact CD1-CE2 3.76Å; L174-F220 HydrophobicContact CG-CD2 4.49Å; L174-A226 HydrophobicContact CD1-CB 4.32Å; L174-A226 HydrophobicContact CD2-CB 3.92Å; L174-A226 HydrophobicContact CG-CB 4.05Å; L174-A229 HydrophobicContact CD1-CB 3.71Å; L174-I230 HydrophobicContact CD1-CG1 4.41Å; L174-I230 HydrophobicContact CD2-CD1 3.6Å; L174-I230 HydrophobicContact CD2-CG1 3.7Å; L174-V248 HydrophobicContact CD1-CG1 3.79Å; L174-K249 CarbonylContact C-O 3.54Å; L174-K249 WeakPolarHBondContact CA-O 3.47Å; L174-F250 HydrophobicContact CD2-CD1 3.98Å; L174-F250 HydrophobicContact CD2-CE1 4.38Å |
| 175 | Y | 96.1 | Very high | 88.5 | Confident | 61 Ų | 61 | 50 Ų | 50 | 24% | 0.239 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 127.8 | 165.4 | 174.2 | -81.5 | 0 | 0 | 0 | 107.6 | C177 V215 F217 K249 | Y175-C177 HydrophobicContact CE1-CB 3.89Å; Y175-C177 PolarHBondContact OH-SG 3.26Å; Y175-C177 VanDerWaalsContact OH-SG 3.35Å; Y175-V215 HydrophobicContact CD2-CG1 4.23Å; Y175-V215 HydrophobicContact CE1-CG1 4.49Å; Y175-V215 HydrophobicContact CE2-CG1 3.48Å; Y175-V215 VanDerWaalsContact CE2-CG1 3.48Å; Y175-F217 AromaticContact CD2-CE1 3.76Å; Y175-F217 HydrophobicContact CD2-CE1 3.76Å; Y175-F217 HydrophobicContact CD2-CE2 4.47Å; Y175-F217 AromaticContact CD2-CZ 3.74Å; Y175-F217 HydrophobicContact CD2-CZ 3.74Å; Y175-F217 HydrophobicContact CE2-CZ 4.28Å; Y175-K249 HydrophobicContact CD1-CD 4.45Å; Y175-K249 VanDerWaalsContact CD1-CE 3.46Å; Y175-K249 HydrophobicContact CD1-CG 4.17Å; Y175-K249 PolarHBondContact N-O 3.2Å; Y175-K249 PolarHBondContact O-N 3.18Å |
| 176 | I | 94.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 123.5 | -176.8 | -57.1 | 164.3 | 0 | 0 | 0 | 108.1 | L179 L188 F192 V215 G216 I218 L246 I247 V248 | I176-L179 HydrophobicContact CG2-CD1 4.43Å; I176-L179 HydrophobicContact CG2-CD2 3.77Å; I176-L179 HydrophobicContact CG2-CG 3.98Å; I176-L188 HydrophobicContact CD1-CD1 4Å; I176-F192 HydrophobicContact CD1-CD2 4.29Å; I176-F192 HydrophobicContact CD1-CE1 4.03Å; I176-F192 HydrophobicContact CD1-CE2 3.76Å; I176-F192 HydrophobicContact CD1-CZ 3.61Å; I176-F192 HydrophobicContact CG1-CZ 4.2Å; I176-F192 HydrophobicContact CG2-CZ 4.46Å; I176-V215 CarbonylContact O-C 3.55Å; I176-V215 VanDerWaalsContact O-CA 3.27Å; I176-V215 WeakPolarHBondContact O-CA 3.37Å; I176-G216 PolarHBondContact N-O 2.99Å; I176-G216 PolarHBondContact O-N 2.95Å; I176-I218 HydrophobicContact CD1-CB 4.19Å; I176-I218 HydrophobicContact CD1-CD1 3.5Å; I176-I218 VanDerWaalsContact CD1-CD1 3.5Å; I176-I218 HydrophobicContact CD1-CG1 3.63Å; I176-L246 HydrophobicContact CG2-CD1 4.49Å; I176-L246 HydrophobicContact CG2-CD2 4.43Å; I176-I247 WeakPolarHBondContact CA-O 3.4Å; I176-V248 HydrophobicContact CG1-CG1 4.3Å; I176-V248 HydrophobicContact CG1-CG2 4.44Å; I176-V248 HydrophobicContact CG2-CG2 4.33Å |
| 177 | C | 93.1 | Very high | 89.8 | Confident | 33 Ų | 33 | 50.6 Ų | 50.6 | 22% | 0.223 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 156.6 | 174.9 | -122.8 | 0 | 0 | 0 | 0 | 109.9 | Y175 G214 L246 I247 | Y175-C177 HydrophobicContact CE1-CB 3.89Å; Y175-C177 PolarHBondContact OH-SG 3.26Å; Y175-C177 VanDerWaalsContact OH-SG 3.35Å; C177-G214 CarbonylContact C-O 3.58Å; C177-L246 CarbonylContact O-C 3.58Å; C177-L246 VanDerWaalsContact O-CA 3.31Å; C177-L246 WeakPolarHBondContact O-CA 3.16Å; C177-I247 HydrophobicContact CB-CB 3.85Å; C177-I247 HydrophobicContact CB-CD1 4.49Å; C177-I247 PolarHBondContact N-O 2.99Å; C177-I247 PolarHBondContact O-N 2.69Å |
| 178 | G | 90.3 | Very high | 90.5 | Very high | 25 Ų | 25 | 48.2 Ų | 48.2 | 26% | 0.258 | 27% | 0.265 | S | S | . | . | trans | 86.6 | 12.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | G214 | G178-G214 PolarHBondContact N-O 3.37Š| ||
| 179 | L | 91.8 | Very high | 91.2 | Very high | 7 Ų | 7 | 51.3 Ų | 51.3 | 4% | 0.037 | 28% | 0.278 | C | S | . | . | trans | -63.7 | 138.8 | 175.5 | -63.9 | 176.2 | 0 | 0 | 0 | 110.8 | I176 L188 I203 G214 L246 | I176-L179 HydrophobicContact CG2-CD1 4.43Å; I176-L179 HydrophobicContact CG2-CD2 3.77Å; I176-L179 HydrophobicContact CG2-CG 3.98Å; L179-L188 HydrophobicContact CD1-CD1 4.01Å; L179-L188 HydrophobicContact CD1-CD2 4.07Å; L179-L188 HydrophobicContact CD2-CD1 3.72Å; L179-I203 HydrophobicContact CD1-CD1 4.46Å; L179-I203 HydrophobicContact CD1-CG1 4.33Å; L179-G214 PolarHBondContact N-O 2.93Å; L179-G214 WeakPolarHBondContact O-CA 3.2Å; L179-L246 HydrophobicContact CD2-CD2 3.83Å | ||
| 180 | P | 89.9 | Confident | 91.7 | Very high | 26 Ų | 26 | 56.1 Ų | 56.1 | 17% | 0.169 | 30% | 0.298 | C | S | . | . | trans | -55.8 | 144 | 170.8 | -27.2 | 36 | 0 | 0 | 0 | 111.9 | L182 M183 V238 | P180-L182 PolarHBondContact O-N 2.9Å; P180-L182 VanDerWaalsContact O-N 3.12Å; P180-M183 HydrophobicContact CB-CB 4.35Å; P180-M183 WeakPolarHBondContact O-CB 3.27Å; P180-M183 PolarHBondContact O-N 2.89Å; P180-V238 HydrophobicContact CG-CB 4.13Å; P180-V238 HydrophobicContact CG-CG1 4.03Å; P180-V238 WeakPolarHBondContact CG-O 3.47Å | ||
| 181 | K | 87 | Confident | 92.2 | Very high | 152 Ų | 152 | 52 Ų | 52 | 66% | 0.661 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -22.8 | -177.1 | -66.6 | -175.9 | -179 | 178.1 | 0 | 113.9 | S212 | K181-S212 VanDerWaalsContact O-CB 3.26Å; K181-S212 WeakPolarHBondContact O-CB 3.46Å |
| 182 | L | 88.2 | Confident | 92.7 | Very high | 165 Ų | 165 | 49.9 Ų | 49.9 | 86% | 0.864 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -4.7 | 178.5 | -58.4 | 176.7 | 0 | 0 | 0 | 113.5 | P180 T184 | P180-L182 PolarHBondContact O-N 2.9Å; P180-L182 VanDerWaalsContact O-N 3.12Å; L182-T184 PolarHBondContact O-N 3.24Å |
| 183 | M | 89.3 | Confident | 92.8 | Very high | 26 Ų | 26 | 55.3 Ų | 55.3 | 13% | 0.128 | 28% | 0.284 | C | S | . | . | trans | -65.8 | 128 | -177.5 | -164.8 | 70 | 164.4 | 0 | 0 | 110.6 | P180 D187 L191 I203 V238 | P180-M183 HydrophobicContact CB-CB 4.35Å; P180-M183 WeakPolarHBondContact O-CB 3.27Å; P180-M183 PolarHBondContact O-N 2.89Å; M183-D187 HydrophobicContact CE-CB 3.83Å; M183-D187 WeakPolarHBondContact CE-O 3.43Å; M183-D187 HydrophobicContact CG-CB 4.48Å; M183-D187 HydrophobicContact SD-CB 3.75Å; M183-L191 HydrophobicContact CE-CB 4.38Å; M183-L191 HydrophobicContact CE-CD2 4.03Å; M183-I203 WeakPolarHBondContact O-CD1 3.42Å; M183-V238 HydrophobicContact CE-CG1 3.91Å; M183-V238 HydrophobicContact SD-CG1 4.09Å | ||
| 184 | T | 92.2 | Very high | 92.8 | Very high | 64 Ų | 64 | 58.2 Ų | 58.2 | 39% | 0.393 | 31% | 0.306 | S | S | . | . | trans | -91.1 | 164.7 | 176.2 | 80.3 | 0 | 0 | 0 | 0 | 112 | L182 S186 D187 L188 I203 | L182-T184 PolarHBondContact O-N 3.24Å; T184-S186 PolarHBondContact O-N 2.76Å; T184-S186 PolarHBondContact OG1-N 2.75Å; T184-D187 WeakPolarHBondContact CB-OD2 3.28Å; T184-D187 WeakPolarHBondContact CG2-OD2 3.19Å; T184-D187 PolarHBondContact N-OD2 3.49Å; T184-D187 PolarHBondContact O-N 2.55Å; T184-D187 VanDerWaalsContact OG1-CG 3.23Å; T184-D187 PolarHBondContact OG1-N 2.85Å; T184-D187 PolarHBondContact OG1-OD2 3.16Å; T184-L188 WeakPolarHBondContact O-CB 3.5Å; T184-L188 PolarHBondContact O-N 2.93Å; T184-I203 VanDerWaalsContact C-CD1 3.47Å | ||
| 185 | E | 92.3 | Very high | 92.7 | Very high | 90 Ų | 90 | 58.9 Ų | 58.9 | 42% | 0.421 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.1 | -32.7 | 174 | -167.9 | 165 | 117.8 | 0 | 0 | 111.9 | E189 R202 I203 | E185-E189 WeakPolarHBondContact O-CB 3.48Å; E185-E189 PolarHBondContact O-N 2.81Å; E185-R202 VanDerWaalsContact OE2-CA 3.32Å; E185-R202 WeakPolarHBondContact OE2-CA 3.45Å; E185-I203 PolarHBondContact OE2-N 2.78Å |
| 186 | S | 93.8 | Very high | 92.6 | Very high | 65 Ų | 65 | 56.8 Ų | 56.8 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67 | -41.9 | 174.5 | -177 | 0 | 0 | 0 | 0 | 112 | T184 E189 K190 | T184-S186 PolarHBondContact O-N 2.76Å; T184-S186 PolarHBondContact OG1-N 2.75Å; S186-E189 PolarHBondContact O-N 3.48Å; S186-K190 VanDerWaalsContact O-CG 3.27Å; S186-K190 WeakPolarHBondContact O-CG 3.36Å; S186-K190 PolarHBondContact O-N 2.9Å; S186-K190 WeakPolarHBondContact OG-CE 3.4Å; S186-K190 PolarHBondContact OG-NZ 3.46Å |
| 187 | D | 92.9 | Very high | 92.6 | Very high | 52 Ų | 52 | 62.7 Ų | 62.7 | 28% | 0.278 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -74.9 | -34.4 | -179.6 | -52.2 | -49 | 0 | 0 | 0 | 111.5 | M183 T184 E189 K190 L191 | M183-D187 HydrophobicContact CE-CB 3.83Å; M183-D187 WeakPolarHBondContact CE-O 3.43Å; M183-D187 HydrophobicContact CG-CB 4.48Å; M183-D187 HydrophobicContact SD-CB 3.75Å; T184-D187 WeakPolarHBondContact CB-OD2 3.28Å; T184-D187 WeakPolarHBondContact CG2-OD2 3.19Å; T184-D187 PolarHBondContact N-OD2 3.49Å; T184-D187 PolarHBondContact O-N 2.55Å; T184-D187 VanDerWaalsContact OG1-CG 3.23Å; T184-D187 PolarHBondContact OG1-N 2.85Å; T184-D187 PolarHBondContact OG1-OD2 3.16Å; D187-E189 VanDerWaalsContact C-N 3.31Å; D187-K190 PolarHBondContact O-N 2.85Å; D187-K190 IonicContact OD1-NZ 2.78Å; D187-K190 PolarHBondContact OD1-NZ 3.11Å; D187-L191 WeakPolarHBondContact O-CB 3.49Å; D187-L191 PolarHBondContact O-N 3.38Å |
| 188 | L | 93.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.3 | -40.9 | 170.4 | 179.4 | 62.5 | 0 | 0 | 0 | 111.2 | I176 L179 T184 F192 I203 I218 | I176-L188 HydrophobicContact CD1-CD1 4Å; L179-L188 HydrophobicContact CD1-CD1 4.01Å; L179-L188 HydrophobicContact CD1-CD2 4.07Å; L179-L188 HydrophobicContact CD2-CD1 3.72Å; T184-L188 WeakPolarHBondContact O-CB 3.5Å; T184-L188 PolarHBondContact O-N 2.93Å; L188-F192 HydrophobicContact CD1-CD2 3.96Å; L188-F192 HydrophobicContact CD1-CE2 3.93Å; L188-F192 WeakPolarHBondContact O-CD2 3.46Å; L188-F192 PolarHBondContact O-N 3.3Å; L188-I203 HydrophobicContact CB-CD1 4.37Å; L188-I203 HydrophobicContact CD2-CD1 4.22Å; L188-I203 HydrophobicContact CD2-CG1 3.68Å; L188-I218 HydrophobicContact CD1-CD1 3.9Å; L188-I218 HydrophobicContact CD1-CG1 4.5Å; L188-I218 HydrophobicContact CD2-CD1 4.49Å; L188-I218 HydrophobicContact CD2-CG1 4.28Å; L188-I218 HydrophobicContact CG-CD1 3.86Å; L188-I218 HydrophobicContact CG-CG1 4.18Å |
| 189 | E | 95.5 | Very high | 92.8 | Very high | 77 Ų | 77 | 63.4 Ų | 63.4 | 36% | 0.36 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.8 | -50.6 | 175.2 | -167.2 | 171.3 | 149.4 | 0 | 0 | 111.7 | E185 S186 D187 L191 F192 H193 I198 S201 | E185-E189 WeakPolarHBondContact O-CB 3.48Å; E185-E189 PolarHBondContact O-N 2.81Å; S186-E189 PolarHBondContact O-N 3.48Å; D187-E189 VanDerWaalsContact C-N 3.31Å; E189-L191 VanDerWaalsContact C-N 3.27Å; E189-L191 PolarHBondContact O-N 2.75Å; E189-F192 PolarHBondContact O-N 3.39Å; E189-H193 WeakPolarHBondContact O-CB 3.47Å; E189-H193 PolarHBondContact O-N 3.17Å; E189-I198 HydrophobicContact CB-CD1 4.48Å; E189-I198 HydrophobicContact CG-CB 4.37Å; E189-I198 HydrophobicContact CG-CD1 3.81Å; E189-I198 HydrophobicContact CG-CG2 4.31Å; E189-S201 PolarHBondContact OE2-OG 2.95Å |
| 190 | K | 94.5 | Very high | 92.7 | Very high | 126 Ų | 126 | 64.9 Ų | 64.9 | 55% | 0.548 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -53 | -42.8 | 176.7 | -70.5 | 165.9 | -151.9 | 158.7 | 0 | 112.7 | S186 D187 | S186-K190 VanDerWaalsContact O-CG 3.27Å; S186-K190 WeakPolarHBondContact O-CG 3.36Å; S186-K190 PolarHBondContact O-N 2.9Å; S186-K190 WeakPolarHBondContact OG-CE 3.4Å; S186-K190 PolarHBondContact OG-NZ 3.46Å; D187-K190 PolarHBondContact O-N 2.85Å; D187-K190 IonicContact OD1-NZ 2.78Å; D187-K190 PolarHBondContact OD1-NZ 3.11Å |
| 191 | L | 93 | Very high | 92.9 | Very high | 33 Ų | 33 | 64.2 Ų | 64.2 | 17% | 0.173 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.6 | -42 | -178.5 | 178.7 | 64.2 | 0 | 0 | 0 | 112.1 | M183 D187 E189 P194 F233 Y236 V238 L246 | M183-L191 HydrophobicContact CE-CB 4.38Å; M183-L191 HydrophobicContact CE-CD2 4.03Å; D187-L191 WeakPolarHBondContact O-CB 3.49Å; D187-L191 PolarHBondContact O-N 3.38Å; E189-L191 VanDerWaalsContact C-N 3.27Å; E189-L191 PolarHBondContact O-N 2.75Å; L191-P194 WeakPolarHBondContact O-CD 3.35Å; L191-F233 HydrophobicContact CD1-CD1 4.35Å; L191-F233 HydrophobicContact CD1-CE1 3.6Å; L191-F233 HydrophobicContact CD1-CZ 4.03Å; L191-F233 HydrophobicContact CG-CD1 4.46Å; L191-F233 HydrophobicContact CG-CE1 4Å; L191-F233 HydrophobicContact CG-CZ 4.23Å; L191-F233 WeakPolarHBondContact O-CE2 3.45Å; L191-F233 WeakPolarHBondContact O-CZ 3.45Å; L191-Y236 HydrophobicContact CD1-CE1 4.21Å; L191-V238 HydrophobicContact CD2-CG2 3.45Å; L191-V238 VanDerWaalsContact CD2-CG2 3.45Å; L191-L246 HydrophobicContact CD2-CD1 4.2Å |
| 192 | F | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -95.3 | -14.2 | -174 | -81.7 | -95.3 | 0 | 0 | 0 | 114.3 | I176 L188 E189 P194 C195 I198 I218 F220 A229 F233 L246 V248 | I176-F192 HydrophobicContact CD1-CD2 4.29Å; I176-F192 HydrophobicContact CD1-CE1 4.03Å; I176-F192 HydrophobicContact CD1-CE2 3.76Å; I176-F192 HydrophobicContact CD1-CZ 3.61Å; I176-F192 HydrophobicContact CG1-CZ 4.2Å; I176-F192 HydrophobicContact CG2-CZ 4.46Å; L188-F192 HydrophobicContact CD1-CD2 3.96Å; L188-F192 HydrophobicContact CD1-CE2 3.93Å; L188-F192 WeakPolarHBondContact O-CD2 3.46Å; L188-F192 PolarHBondContact O-N 3.3Å; E189-F192 PolarHBondContact O-N 3.39Å; F192-P194 VanDerWaalsContact C-N 3.31Å; F192-C195 PolarHBondContact O-N 2.97Å; F192-I198 HydrophobicContact CB-CD1 3.92Å; F192-I218 HydrophobicContact CB-CD1 3.42Å; F192-I218 VanDerWaalsContact CB-CD1 3.42Å; F192-I218 HydrophobicContact CD1-CD1 3.93Å; F192-I218 HydrophobicContact CD2-CD1 3.45Å; F192-I218 VanDerWaalsContact CD2-CD1 3.45Å; F192-I218 HydrophobicContact CE2-CD1 4.16Å; F192-I218 HydrophobicContact CG-CD1 3.31Å; F192-F220 HydrophobicContact CB-CZ 4.11Å; F192-F220 HydrophobicContact CD1-CE2 4.46Å; F192-F220 HydrophobicContact CD1-CZ 4.3Å; F192-A229 HydrophobicContact CD1-CB 3.95Å; F192-A229 HydrophobicContact CE1-CB 4.21Å; F192-F233 AromaticContact CD1-CD2 3.67Å; F192-F233 HydrophobicContact CD1-CD2 3.67Å; F192-F233 HydrophobicContact CD1-CE2 4.18Å; F192-F233 HydrophobicContact CD1-CG 4.4Å; F192-F233 HydrophobicContact CE1-CB 3.73Å; F192-F233 AromaticContact CE1-CD2 3.55Å; F192-F233 HydrophobicContact CE1-CD2 3.55Å; F192-F233 HydrophobicContact CE1-CE2 4.45Å; F192-F233 AromaticContact CE1-CG 3.88Å; F192-F233 HydrophobicContact CE1-CG 3.88Å; F192-F233 HydrophobicContact CG-CD2 4.27Å; F192-F233 HydrophobicContact CG-CE2 4.42Å; F192-F233 HydrophobicContact CZ-CB 3.71Å; F192-F233 HydrophobicContact CZ-CD2 4.05Å; F192-F233 AromaticContact CZ-CG 3.95Å; F192-F233 HydrophobicContact CZ-CG 3.95Å; F192-L246 HydrophobicContact CE2-CD1 4.2Å; F192-L246 HydrophobicContact CZ-CD1 4.16Å; F192-V248 HydrophobicContact CE1-CG1 4.12Å; F192-V248 HydrophobicContact CE1-CG2 4.2Å; F192-V248 HydrophobicContact CZ-CG2 3.88Å |
| 193 | H | 94.5 | Very high | 93.5 | Very high | 115 Ų | 115 | 56 Ų | 56 | 53% | 0.532 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -50 | -37.2 | 176.1 | -167.7 | 101.5 | 0 | 0 | 0 | 114.7 | E189 C195 G196 | E189-H193 WeakPolarHBondContact O-CB 3.47Å; E189-H193 PolarHBondContact O-N 3.17Å; H193-C195 PolarHBondContact O-N 3.41Å; H193-G196 PolarHBondContact O-N 2.94Å; H193-G196 VanDerWaalsContact O-N 3.16Å; H193-G196 VanDerWaalsContact O-O 3.14Å |
| 194 | P | 94.8 | Very high | 93.6 | Very high | 105 Ų | 105 | 57.5 Ų | 57.5 | 68% | 0.682 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -64.2 | -18.1 | 177.8 | -23.6 | 35.9 | 0 | 0 | 0 | 115 | L191 F192 | L191-P194 WeakPolarHBondContact O-CD 3.35Å; F192-P194 VanDerWaalsContact C-N 3.31Å |
| 195 | C | 94.4 | Very high | 93.5 | Very high | 15 Ų | 15 | 59.7 Ų | 59.7 | 10% | 0.101 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -85.9 | -11.8 | 177.3 | -65.8 | 0 | 0 | 0 | 0 | 113.6 | F192 H193 F220 E225 A229 F233 | F192-C195 PolarHBondContact O-N 2.97Å; H193-C195 PolarHBondContact O-N 3.41Å; C195-F220 HydrophobicContact CB-CE1 4.16Å; C195-F220 HydrophobicContact CB-CZ 4.01Å; C195-E225 WeakPolarHBondContact O-CA 3.38Å; C195-E225 WeakPolarHBondContact O-CB 3.21Å; C195-A229 HydrophobicContact CB-CB 3.82Å; C195-F233 VanDerWaalsContact SG-CE2 3.58Å |
| 196 | G | 94 | Very high | 93.4 | Very high | 17 Ų | 17 | 57 Ų | 57 | 18% | 0.175 | 29% | 0.288 | C | S | . | . | S | Bend | trans | 148.2 | -177.1 | 180 | 0 | 0 | 0 | 0 | 0 | 114.8 | H193 I198 F220 E225 | H193-G196 PolarHBondContact O-N 2.94Å; H193-G196 VanDerWaalsContact O-N 3.16Å; H193-G196 VanDerWaalsContact O-O 3.14Å; G196-I198 PolarHBondContact O-N 2.83Å; G196-F220 WeakPolarHBondContact O-CE1 2.93Å; G196-E225 WeakPolarHBondContact CA-OE1 3.28Å |
| 197 | K | 94.3 | Very high | 93.1 | Very high | 123 Ų | 123 | 59.4 Ų | 59.4 | 54% | 0.535 | 31% | 0.305 | S | S | . | . | trans | -76.8 | 114.4 | -172.8 | 179.1 | -179.4 | 173.6 | -168.3 | 0 | 111.8 | F220 D221 E225 | K197-F220 CarbonylContact O-C 3.58Å; K197-F220 WeakPolarHBondContact O-CA 3.29Å; K197-D221 HydrophobicContact CB-CB 3.97Å; K197-D221 HydrophobicContact CD-CB 4.03Å; K197-D221 HydrophobicContact CG-CB 4.17Å; K197-D221 PolarHBondContact O-N 3.45Å; K197-E225 PolarHBondContact N-OE1 3.08Å | ||
| 198 | I | 95 | Very high | 92.9 | Very high | 25 Ų | 25 | 64.1 Ų | 64.1 | 13% | 0.128 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 133.8 | 178.5 | -64.2 | 171.7 | 0 | 0 | 0 | 110.9 | E189 F192 G196 I218 F220 | E189-I198 HydrophobicContact CB-CD1 4.48Å; E189-I198 HydrophobicContact CG-CB 4.37Å; E189-I198 HydrophobicContact CG-CD1 3.81Å; E189-I198 HydrophobicContact CG-CG2 4.31Å; F192-I198 HydrophobicContact CB-CD1 3.92Å; G196-I198 PolarHBondContact O-N 2.83Å; I198-I218 HydrophobicContact CD1-CD1 4.47Å; I198-I218 HydrophobicContact CD1-CG2 3.99Å; I198-I218 HydrophobicContact CG1-CG2 3.83Å; I198-I218 HydrophobicContact CG2-CG2 4.08Å; I198-F220 HydrophobicContact CD1-CE1 4.48Å; I198-F220 HydrophobicContact CG1-CD1 4.16Å; I198-F220 HydrophobicContact CG1-CE1 3.83Å; I198-F220 HydrophobicContact CG1-CZ 4.31Å |
| 199 | I | 92.3 | Very high | 92.8 | Very high | 49 Ų | 49 | 68.3 Ų | 68.3 | 25% | 0.251 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | -35.5 | -179.2 | -60.4 | -61.9 | 0 | 0 | 0 | 111.6 | K158 R219 D221 | K158-I199 PolarHBondContact NZ-O 2.86Å; I199-R219 PolarHBondContact N-O 3.23Å; I199-D221 HydrophobicContact CD1-CB 4.14Å; I199-D221 WeakPolarHBondContact CD1-OD1 3.26Å; I199-D221 HydrophobicContact CG1-CB 4.18Å |
| 200 | T | 91.5 | Very high | 92.4 | Very high | 37 Ų | 37 | 67.1 Ų | 67.1 | 23% | 0.227 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 114.7 | 168 | 47.6 | 0 | 0 | 0 | 0 | 109.8 | K158 I218 R219 | K158-T200 HydrophobicContact CD-CG2 4.47Å; T200-I218 WeakPolarHBondContact O-CA 3.44Å; T200-R219 PolarHBondContact N-O 2.86Å; T200-R219 PolarHBondContact O-N 3.47Å; T200-R219 WeakPolarHBondContact OG1-CB 2.98Å |
| 201 | S | 94.1 | Very high | 92.1 | Very high | 13 Ų | 13 | 66.4 Ų | 66.4 | 9% | 0.091 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 155.4 | 150.8 | 43.5 | 0 | 0 | 0 | 0 | 109.3 | E189 F217 | E189-S201 PolarHBondContact OE2-OG 2.95Å; S201-F217 CarbonylContact C-O 3.47Å |
| 202 | R | 92.4 | Very high | 91.9 | Very high | 140 Ų | 140 | 65.2 Ų | 65.2 | 53% | 0.528 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 137.2 | 163.2 | -173.9 | 169.5 | 177.3 | 175.5 | 0.8 | 112.4 | E185 G216 F217 | E185-R202 VanDerWaalsContact OE2-CA 3.32Å; E185-R202 WeakPolarHBondContact OE2-CA 3.45Å; R202-G216 CarbonylContact O-C 3.59Å; R202-G216 WeakPolarHBondContact O-CA 3.49Å; R202-F217 PolarHBondContact N-O 3.02Å; R202-F217 PolarHBondContact O-N 3.43Å |
| 203 | I | 93.8 | Very high | 91.7 | Very high | 3 Ų | 3 | 70.5 Ų | 70.5 | 2% | 0.015 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 143.5 | 168.3 | -66 | -178.9 | 0 | 0 | 0 | 111.6 | L179 M183 T184 E185 L188 F205 | L179-I203 HydrophobicContact CD1-CD1 4.46Å; L179-I203 HydrophobicContact CD1-CG1 4.33Å; M183-I203 WeakPolarHBondContact O-CD1 3.42Å; T184-I203 VanDerWaalsContact C-CD1 3.47Å; E185-I203 PolarHBondContact OE2-N 2.78Å; L188-I203 HydrophobicContact CB-CD1 4.37Å; L188-I203 HydrophobicContact CD2-CD1 4.22Å; L188-I203 HydrophobicContact CD2-CG1 3.68Å; I203-F205 HydrophobicContact CB-CE2 3.88Å; I203-F205 HydrophobicContact CB-CZ 4.17Å; I203-F205 HydrophobicContact CG2-CD2 4.29Å; I203-F205 HydrophobicContact CG2-CE1 4.35Å; I203-F205 HydrophobicContact CG2-CE2 3.76Å; I203-F205 HydrophobicContact CG2-CZ 3.79Å |
| 204 | L | 92.2 | Very high | 91.6 | Very high | 59 Ų | 59 | 65.5 Ų | 65.5 | 31% | 0.309 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 121.9 | 169.4 | -67.9 | -167.7 | 0 | 0 | 0 | 110.7 | K213 V215 F217 | L204-K213 HydrophobicContact CB-CB 4.38Å; L204-K213 WeakPolarHBondContact O-CB 3.47Å; L204-K213 PolarHBondContact O-N 3.1Å; L204-V215 HydrophobicContact CB-CB 4.35Å; L204-V215 HydrophobicContact CD1-CB 4.34Å; L204-V215 HydrophobicContact CD1-CG1 3.84Å; L204-V215 HydrophobicContact CG-CG1 4.23Å; L204-V215 PolarHBondContact N-O 3.49Å; L204-F217 HydrophobicContact CD1-CE2 3.98Å; L204-F217 HydrophobicContact CD2-CD2 4.5Å; L204-F217 HydrophobicContact CD2-CE2 4.14Å; L204-F217 HydrophobicContact CG-CD2 4.41Å; L204-F217 HydrophobicContact CG-CE2 4Å |
| 205 | F | 91.2 | Very high | 91.5 | Very high | 110 Ų | 110 | 61.2 Ų | 61.2 | 48% | 0.482 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 155.1 | 169.2 | -62.7 | -89 | 0 | 0 | 0 | 110.3 | I203 G210 Q211 | I203-F205 HydrophobicContact CB-CE2 3.88Å; I203-F205 HydrophobicContact CB-CZ 4.17Å; I203-F205 HydrophobicContact CG2-CD2 4.29Å; I203-F205 HydrophobicContact CG2-CE1 4.35Å; I203-F205 HydrophobicContact CG2-CE2 3.76Å; I203-F205 HydrophobicContact CG2-CZ 3.79Å; F205-G210 WeakPolarHBondContact CD1-O 3.27Å; F205-Q211 CarbonylContact C-O 3.54Å; F205-Q211 WeakPolarHBondContact CA-O 3.4Å |
| 206 | D | 90 | Very high | 91.5 | Very high | 34 Ų | 34 | 60.5 Ų | 60.5 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -80.5 | 128.8 | 170.8 | -177.1 | 56.8 | 0 | 0 | 0 | 111.4 | N208 T209 G210 Q211 K213 | D206-N208 PolarHBondContact O-N 3.18Å; D206-N208 PolarHBondContact OD2-N 3.11Å; D206-T209 WeakPolarHBondContact CB-OG1 3.41Å; D206-T209 PolarHBondContact OD2-N 3.16Å; D206-T209 PolarHBondContact OD2-OG1 2.79Å; D206-G210 WeakPolarHBondContact O-CA 3.45Å; D206-G210 PolarHBondContact O-N 3.38Å; D206-Q211 PolarHBondContact N-O 3.31Å; D206-K213 HydrophobicContact CB-CD 4.31Å; D206-K213 HydrophobicContact CB-CG 4.06Å; D206-K213 WeakPolarHBondContact OD1-CE 3.38Å; D206-K213 IonicContact OD1-NZ 2.75Å; D206-K213 PolarHBondContact OD1-NZ 3.45Å |
| 207 | S | 86.7 | Confident | 91.6 | Very high | 114 Ų | 114 | 62.6 Ų | 62.6 | 80% | 0.797 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -19.4 | -173.2 | -53 | 0 | 0 | 0 | 0 | 113.9 | ||
| 208 | N | 88.8 | Confident | 91.7 | Very high | 151 Ų | 151 | 56.8 Ų | 56.8 | 81% | 0.807 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -39.5 | -177.7 | -59.1 | -16.1 | 0 | 0 | 0 | 111.5 | D206 | D206-N208 PolarHBondContact O-N 3.18Å; D206-N208 PolarHBondContact OD2-N 3.11Å |
| 209 | T | 90.2 | Very high | 91.6 | Very high | 89 Ų | 89 | 59.2 Ų | 59.2 | 55% | 0.546 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -11.3 | -173.7 | 57.5 | 0 | 0 | 0 | 0 | 114.5 | D206 Q211 | D206-T209 WeakPolarHBondContact CB-OG1 3.41Å; D206-T209 PolarHBondContact OD2-N 3.16Å; D206-T209 PolarHBondContact OD2-OG1 2.79Å; T209-Q211 PolarHBondContact O-N 2.88Å; T209-Q211 VanDerWaalsContact O-N 3.09Å |
| 210 | G | 87.7 | Confident | 91.8 | Very high | 52 Ų | 52 | 56.9 Ų | 56.9 | 54% | 0.536 | 30% | 0.301 | S | S | . | . | trans | 69 | -4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | F205 D206 | F205-G210 WeakPolarHBondContact CD1-O 3.27Å; D206-G210 WeakPolarHBondContact O-CA 3.45Å; D206-G210 PolarHBondContact O-N 3.38Å | ||
| 211 | Q | 88 | Confident | 91.8 | Very high | 110 Ų | 110 | 56.2 Ų | 56.2 | 51% | 0.514 | 30% | 0.296 | S | S | . | . | trans | -75.6 | 147.7 | -175.7 | -66.4 | -65.6 | -37.3 | 0 | 0 | 111.9 | F205 D206 T209 K213 | F205-Q211 CarbonylContact C-O 3.54Å; F205-Q211 WeakPolarHBondContact CA-O 3.4Å; D206-Q211 PolarHBondContact N-O 3.31Å; T209-Q211 PolarHBondContact O-N 2.88Å; T209-Q211 VanDerWaalsContact O-N 3.09Å; Q211-K213 PolarHBondContact O-N 3.34Å | ||
| 212 | S | 89.3 | Confident | 91.7 | Very high | 8 Ų | 8 | 58.1 Ų | 58.1 | 6% | 0.056 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 133.5 | 170.1 | 173.8 | 0 | 0 | 0 | 0 | 110.4 | K181 G214 | K181-S212 VanDerWaalsContact O-CB 3.26Å; K181-S212 WeakPolarHBondContact O-CB 3.46Å; S212-G214 PolarHBondContact O-N 3.2Å; S212-G214 PolarHBondContact OG-N 2.85Å |
| 213 | K | 91.6 | Very high | 91.7 | Very high | 111 Ų | 111 | 56.1 Ų | 56.1 | 48% | 0.483 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 1.4 | 174.8 | -79.9 | 178.7 | 158.7 | 149.2 | 0 | 113.2 | L204 D206 Q211 V215 | L204-K213 HydrophobicContact CB-CB 4.38Å; L204-K213 WeakPolarHBondContact O-CB 3.47Å; L204-K213 PolarHBondContact O-N 3.1Å; D206-K213 HydrophobicContact CB-CD 4.31Å; D206-K213 HydrophobicContact CB-CG 4.06Å; D206-K213 WeakPolarHBondContact OD1-CE 3.38Å; D206-K213 IonicContact OD1-NZ 2.75Å; D206-K213 PolarHBondContact OD1-NZ 3.45Å; Q211-K213 PolarHBondContact O-N 3.34Å; K213-V215 HydrophobicContact CB-CB 4.48Å; K213-V215 PolarHBondContact O-N 2.97Å |
| 214 | G | 91.1 | Very high | 91.7 | Very high | 10 Ų | 10 | 61.7 Ų | 61.7 | 10% | 0.103 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 65.5 | 24.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | C177 G178 L179 S212 | C177-G214 CarbonylContact C-O 3.58Å; G178-G214 PolarHBondContact N-O 3.37Å; L179-G214 PolarHBondContact N-O 2.93Å; L179-G214 WeakPolarHBondContact O-CA 3.2Å; S212-G214 PolarHBondContact O-N 3.2Å; S212-G214 PolarHBondContact OG-N 2.85Å |
| 215 | V | 93.6 | Very high | 91.9 | Very high | 15 Ų | 15 | 60.4 Ų | 60.4 | 9% | 0.091 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 134.8 | -175.7 | 176.3 | 0 | 0 | 0 | 0 | 109.6 | Y175 I176 L204 K213 | Y175-V215 HydrophobicContact CD2-CG1 4.23Å; Y175-V215 HydrophobicContact CE1-CG1 4.49Å; Y175-V215 HydrophobicContact CE2-CG1 3.48Å; Y175-V215 VanDerWaalsContact CE2-CG1 3.48Å; I176-V215 CarbonylContact O-C 3.55Å; I176-V215 VanDerWaalsContact O-CA 3.27Å; I176-V215 WeakPolarHBondContact O-CA 3.37Å; L204-V215 HydrophobicContact CB-CB 4.35Å; L204-V215 HydrophobicContact CD1-CB 4.34Å; L204-V215 HydrophobicContact CD1-CG1 3.84Å; L204-V215 HydrophobicContact CG-CG1 4.23Å; L204-V215 PolarHBondContact N-O 3.49Å; K213-V215 HydrophobicContact CB-CB 4.48Å; K213-V215 PolarHBondContact O-N 2.97Å |
| 216 | G | 94.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 170.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I176 R202 | I176-G216 PolarHBondContact N-O 2.99Å; I176-G216 PolarHBondContact O-N 2.95Å; R202-G216 CarbonylContact O-C 3.59Å; R202-G216 WeakPolarHBondContact O-CA 3.49Å |
| 217 | F | 95.9 | Very high | 92.3 | Very high | 62 Ų | 62 | 55.7 Ų | 55.7 | 27% | 0.272 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 142.7 | 171.6 | -67.1 | -93.8 | 0 | 0 | 0 | 109.5 | L174 Y175 S201 R202 L204 A251 | L174-F217 VanDerWaalsContact O-CA 3.25Å; L174-F217 WeakPolarHBondContact O-CA 3.33Å; L174-F217 WeakPolarHBondContact O-CD1 3.31Å; Y175-F217 AromaticContact CD2-CE1 3.76Å; Y175-F217 HydrophobicContact CD2-CE1 3.76Å; Y175-F217 HydrophobicContact CD2-CE2 4.47Å; Y175-F217 AromaticContact CD2-CZ 3.74Å; Y175-F217 HydrophobicContact CD2-CZ 3.74Å; Y175-F217 HydrophobicContact CE2-CZ 4.28Å; S201-F217 CarbonylContact C-O 3.47Å; R202-F217 PolarHBondContact N-O 3.02Å; R202-F217 PolarHBondContact O-N 3.43Å; L204-F217 HydrophobicContact CD1-CE2 3.98Å; L204-F217 HydrophobicContact CD2-CD2 4.5Å; L204-F217 HydrophobicContact CD2-CE2 4.14Å; L204-F217 HydrophobicContact CG-CD2 4.41Å; L204-F217 HydrophobicContact CG-CE2 4Å; F217-A251 HydrophobicContact CD1-CB 4Å; F217-A251 HydrophobicContact CE1-CB 3.97Å |
| 218 | I | 95.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 123.7 | 169.8 | -64.7 | -179 | 0 | 0 | 0 | 108.1 | L174 I176 L188 F192 I198 T200 F220 | L174-I218 PolarHBondContact N-O 3.21Å; L174-I218 PolarHBondContact O-N 3Å; I176-I218 HydrophobicContact CD1-CB 4.19Å; I176-I218 HydrophobicContact CD1-CD1 3.5Å; I176-I218 VanDerWaalsContact CD1-CD1 3.5Å; I176-I218 HydrophobicContact CD1-CG1 3.63Å; L188-I218 HydrophobicContact CD1-CD1 3.9Å; L188-I218 HydrophobicContact CD1-CG1 4.5Å; L188-I218 HydrophobicContact CD2-CD1 4.49Å; L188-I218 HydrophobicContact CD2-CG1 4.28Å; L188-I218 HydrophobicContact CG-CD1 3.86Å; L188-I218 HydrophobicContact CG-CG1 4.18Å; F192-I218 HydrophobicContact CB-CD1 3.42Å; F192-I218 VanDerWaalsContact CB-CD1 3.42Å; F192-I218 HydrophobicContact CD1-CD1 3.93Å; F192-I218 HydrophobicContact CD2-CD1 3.45Å; F192-I218 VanDerWaalsContact CD2-CD1 3.45Å; F192-I218 HydrophobicContact CE2-CD1 4.16Å; F192-I218 HydrophobicContact CG-CD1 3.31Å; I198-I218 HydrophobicContact CD1-CD1 4.47Å; I198-I218 HydrophobicContact CD1-CG2 3.99Å; I198-I218 HydrophobicContact CG1-CG2 3.83Å; I198-I218 HydrophobicContact CG2-CG2 4.08Å; T200-I218 WeakPolarHBondContact O-CA 3.44Å; I218-F220 HydrophobicContact CG2-CD2 3.93Å; I218-F220 HydrophobicContact CG2-CE2 3.67Å; I218-F220 HydrophobicContact CG2-CZ 4.09Å |
| 219 | R | 94.2 | Very high | 93.1 | Very high | 77 Ų | 77 | 46.2 Ų | 46.2 | 29% | 0.291 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 118.1 | 167.7 | -165.9 | -179 | -175.9 | 172.6 | 3.3 | 109.1 | I169 A172 N173 I199 T200 | I169-R219 PolarHBondContact O-NH2 3.01Å; I169-R219 VanDerWaalsContact O-NH2 3.17Å; A172-R219 CarbonylContact O-C 3.5Å; A172-R219 WeakPolarHBondContact O-CA 3.33Å; A172-R219 WeakPolarHBondContact O-CG 3.24Å; N173-R219 HydrophobicContact CB-CG 4.31Å; I199-R219 PolarHBondContact N-O 3.23Å; T200-R219 PolarHBondContact N-O 2.86Å; T200-R219 PolarHBondContact O-N 3.47Å; T200-R219 WeakPolarHBondContact OG1-CB 2.98Å |
| 220 | F | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 172.5 | 170.6 | -79.3 | -80.1 | 0 | 0 | 0 | 111.4 | A172 L174 F192 C195 G196 K197 I198 I218 E225 A226 A229 | A172-F220 PolarHBondContact O-N 3.38Å; L174-F220 HydrophobicContact CD1-CD2 4.1Å; L174-F220 HydrophobicContact CD1-CE2 3.76Å; L174-F220 HydrophobicContact CG-CD2 4.49Å; F192-F220 HydrophobicContact CB-CZ 4.11Å; F192-F220 HydrophobicContact CD1-CE2 4.46Å; F192-F220 HydrophobicContact CD1-CZ 4.3Å; C195-F220 HydrophobicContact CB-CE1 4.16Å; C195-F220 HydrophobicContact CB-CZ 4.01Å; G196-F220 WeakPolarHBondContact O-CE1 2.93Å; K197-F220 CarbonylContact O-C 3.58Å; K197-F220 WeakPolarHBondContact O-CA 3.29Å; I198-F220 HydrophobicContact CD1-CE1 4.48Å; I198-F220 HydrophobicContact CG1-CD1 4.16Å; I198-F220 HydrophobicContact CG1-CE1 3.83Å; I198-F220 HydrophobicContact CG1-CZ 4.31Å; I218-F220 HydrophobicContact CG2-CD2 3.93Å; I218-F220 HydrophobicContact CG2-CE2 3.67Å; I218-F220 HydrophobicContact CG2-CZ 4.09Å; F220-E225 HydrophobicContact CB-CB 3.91Å; F220-E225 HydrophobicContact CD1-CB 3.65Å; F220-E225 HydrophobicContact CE1-CB 4.36Å; F220-E225 HydrophobicContact CG-CB 3.85Å; F220-A226 HydrophobicContact CB-CB 4.33Å; F220-A226 HydrophobicContact CD2-CB 3.91Å; F220-A226 HydrophobicContact CG-CB 4.44Å; F220-A229 HydrophobicContact CD2-CB 4.44Å; F220-A229 HydrophobicContact CE2-CB 3.49Å; F220-A229 VanDerWaalsContact CE2-CB 3.49Å; F220-A229 HydrophobicContact CZ-CB 3.7Å |
| 221 | D | 91.3 | Very high | 93.7 | Very high | 22 Ų | 22 | 48.5 Ų | 48.5 | 12% | 0.118 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -72.6 | -52.4 | 174.1 | -163.7 | 52.9 | 0 | 0 | 0 | 108.6 | R163 I169 K197 I199 E225 | R163-D221 WeakPolarHBondContact CD-OD1 3.15Å; R163-D221 IonicContact CZ-OD1 2.55Å; R163-D221 IonicContact NE-OD1 2.94Å; R163-D221 PolarHBondContact NH1-O 3.18Å; R163-D221 IonicContact NH1-OD1 3.23Å; R163-D221 PolarHBondContact NH1-OD1 3.17Å; I169-D221 WeakPolarHBondContact CG2-O 2.96Å; K197-D221 HydrophobicContact CB-CB 3.97Å; K197-D221 HydrophobicContact CD-CB 4.03Å; K197-D221 HydrophobicContact CG-CB 4.17Å; K197-D221 PolarHBondContact O-N 3.45Å; I199-D221 HydrophobicContact CD1-CB 4.14Å; I199-D221 WeakPolarHBondContact CD1-OD1 3.26Å; I199-D221 HydrophobicContact CG1-CB 4.18Å; D221-E225 WeakPolarHBondContact CA-OE2 3.46Å; D221-E225 WeakPolarHBondContact CB-OE2 3.11Å; D221-E225 PolarHBondContact N-OE2 3.18Å |
| 222 | Q | 91.9 | Very high | 94 | Very high | 53 Ų | 53 | 49.6 Ų | 49.6 | 25% | 0.248 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -114.8 | 151.3 | -175.7 | -49.2 | -59.1 | -36.9 | 0 | 0 | 112.4 | S168 H224 E225 A226 | S168-Q222 CarbonylContact O-C 3.49Å; S168-Q222 WeakPolarHBondContact O-CA 3.4Å; S168-Q222 PolarHBondContact OG-OE1 2.86Å; Q222-H224 VanDerWaalsContact C-N 3.3Å; Q222-H224 PolarHBondContact O-N 3.18Å; Q222-E225 HydrophobicContact CB-CG 4.17Å; Q222-E225 PolarHBondContact N-OE2 3.32Å; Q222-E225 WeakPolarHBondContact O-CB 3.39Å; Q222-E225 PolarHBondContact O-N 3.04Å; Q222-A226 PolarHBondContact O-N 2.63Å |
| 223 | R | 93.1 | Very high | 94.2 | Very high | 99 Ų | 99 | 50 Ų | 50 | 37% | 0.374 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.4 | -35.7 | 178 | 179.9 | 178.8 | 159.3 | -174.7 | -10.9 | 112.5 | S168 A172 E225 A226 E227 | S168-R223 WeakPolarHBondContact O-CB 3.45Å; S168-R223 PolarHBondContact O-N 3.42Å; A172-R223 HydrophobicContact CB-CB 4.49Å; R223-E225 PolarHBondContact O-N 2.87Å; R223-A226 WeakPolarHBondContact O-CB 3.23Å; R223-A226 PolarHBondContact O-N 2.81Å; R223-A226 VanDerWaalsContact O-N 3.16Å; R223-E227 HydrophobicContact CG-CG 4.5Å; R223-E227 IonicContact CZ-OE1 3.3Å; R223-E227 VanDerWaalsContact CZ-OE1 3.23Å; R223-E227 IonicContact NE-OE1 3.52Å; R223-E227 PolarHBondContact NE-OE1 2.79Å; R223-E227 IonicContact NH2-OE1 2.65Å; R223-E227 PolarHBondContact NH2-OE1 2.78Å; R223-E227 WeakPolarHBondContact O-CG 3.48Å; R223-E227 PolarHBondContact O-N 3.03Å |
| 224 | H | 93.6 | Very high | 94.3 | Very high | 120 Ų | 120 | 48.8 Ų | 48.8 | 56% | 0.556 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -59.6 | -43 | 176.4 | 170.5 | 52.1 | 0 | 0 | 0 | 112.6 | Q222 A226 E227 L228 | Q222-H224 VanDerWaalsContact C-N 3.3Å; Q222-H224 PolarHBondContact O-N 3.18Å; H224-A226 VanDerWaalsContact C-N 3.28Å; H224-A226 PolarHBondContact O-N 3.38Å; H224-E227 PolarHBondContact O-N 2.73Å; H224-E227 VanDerWaalsContact O-N 3.11Å; H224-L228 WeakPolarHBondContact O-CG 3.41Å; H224-L228 PolarHBondContact O-N 3.38Å |
| 225 | E | 95.4 | Very high | 94.2 | Very high | 31 Ų | 31 | 50.5 Ų | 50.5 | 15% | 0.145 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.5 | -40 | 175.1 | -58.8 | 173.8 | 131.5 | 0 | 0 | 111.2 | C195 G196 K197 F220 D221 Q222 R223 L228 A229 | C195-E225 WeakPolarHBondContact O-CA 3.38Å; C195-E225 WeakPolarHBondContact O-CB 3.21Å; G196-E225 WeakPolarHBondContact CA-OE1 3.28Å; K197-E225 PolarHBondContact N-OE1 3.08Å; F220-E225 HydrophobicContact CB-CB 3.91Å; F220-E225 HydrophobicContact CD1-CB 3.65Å; F220-E225 HydrophobicContact CE1-CB 4.36Å; F220-E225 HydrophobicContact CG-CB 3.85Å; D221-E225 WeakPolarHBondContact CA-OE2 3.46Å; D221-E225 WeakPolarHBondContact CB-OE2 3.11Å; D221-E225 PolarHBondContact N-OE2 3.18Å; Q222-E225 HydrophobicContact CB-CG 4.17Å; Q222-E225 PolarHBondContact N-OE2 3.32Å; Q222-E225 WeakPolarHBondContact O-CB 3.39Å; Q222-E225 PolarHBondContact O-N 3.04Å; R223-E225 PolarHBondContact O-N 2.87Å; E225-L228 PolarHBondContact O-N 2.86Å; E225-A229 WeakPolarHBondContact O-CB 3.34Å; E225-A229 PolarHBondContact O-N 2.93Å |
| 226 | A | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68 | -33.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L174 F220 Q222 R223 H224 I230 F250 | L174-A226 HydrophobicContact CD1-CB 4.32Å; L174-A226 HydrophobicContact CD2-CB 3.92Å; L174-A226 HydrophobicContact CG-CB 4.05Å; F220-A226 HydrophobicContact CB-CB 4.33Å; F220-A226 HydrophobicContact CD2-CB 3.91Å; F220-A226 HydrophobicContact CG-CB 4.44Å; Q222-A226 PolarHBondContact O-N 2.63Å; R223-A226 WeakPolarHBondContact O-CB 3.23Å; R223-A226 PolarHBondContact O-N 2.81Å; R223-A226 VanDerWaalsContact O-N 3.16Å; H224-A226 VanDerWaalsContact C-N 3.28Å; H224-A226 PolarHBondContact O-N 3.38Å; A226-I230 WeakPolarHBondContact O-CG1 3.12Å; A226-I230 PolarHBondContact O-N 2.79Å; A226-F250 HydrophobicContact CB-CE1 4.38Å |
| 227 | E | 95.4 | Very high | 93.7 | Very high | 46 Ų | 46 | 61.2 Ų | 61.2 | 22% | 0.215 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.5 | -41.8 | 174.1 | -73.8 | 172.4 | 172.9 | 0 | 0 | 111.7 | R223 H224 I230 Q231 F250 | R223-E227 HydrophobicContact CG-CG 4.5Å; R223-E227 IonicContact CZ-OE1 3.3Å; R223-E227 VanDerWaalsContact CZ-OE1 3.23Å; R223-E227 IonicContact NE-OE1 3.52Å; R223-E227 PolarHBondContact NE-OE1 2.79Å; R223-E227 IonicContact NH2-OE1 2.65Å; R223-E227 PolarHBondContact NH2-OE1 2.78Å; R223-E227 WeakPolarHBondContact O-CG 3.48Å; R223-E227 PolarHBondContact O-N 3.03Å; H224-E227 PolarHBondContact O-N 2.73Å; H224-E227 VanDerWaalsContact O-N 3.11Å; E227-I230 PolarHBondContact O-N 3.42Å; E227-Q231 WeakPolarHBondContact O-CG 3.44Å; E227-Q231 PolarHBondContact O-N 2.69Å; E227-F250 HydrophobicContact CG-CE1 4.33Å; E227-F250 HydrophobicContact CG-CE2 4.45Å; E227-F250 HydrophobicContact CG-CZ 3.56Å |
| 228 | L | 95.8 | Very high | 92.9 | Very high | 66 Ų | 66 | 59.3 Ų | 59.3 | 35% | 0.346 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 170.4 | -69.4 | 177.7 | 0 | 0 | 0 | 111.6 | H224 E225 I230 Q231 Q232 | H224-L228 WeakPolarHBondContact O-CG 3.41Å; H224-L228 PolarHBondContact O-N 3.38Å; E225-L228 PolarHBondContact O-N 2.86Å; L228-I230 VanDerWaalsContact C-N 3.33Å; L228-I230 PolarHBondContact O-N 2.81Å; L228-Q231 PolarHBondContact O-N 2.88Å; L228-Q231 VanDerWaalsContact O-N 3.16Å; L228-Q232 WeakPolarHBondContact O-CB 3.44Å; L228-Q232 PolarHBondContact O-N 3.43Å |
| 229 | A | 96.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.6 | -34.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L174 F192 C195 F220 E225 F233 | L174-A229 HydrophobicContact CD1-CB 3.71Å; F192-A229 HydrophobicContact CD1-CB 3.95Å; F192-A229 HydrophobicContact CE1-CB 4.21Å; C195-A229 HydrophobicContact CB-CB 3.82Å; F220-A229 HydrophobicContact CD2-CB 4.44Å; F220-A229 HydrophobicContact CE2-CB 3.49Å; F220-A229 VanDerWaalsContact CE2-CB 3.49Å; F220-A229 HydrophobicContact CZ-CB 3.7Å; E225-A229 WeakPolarHBondContact O-CB 3.34Å; E225-A229 PolarHBondContact O-N 2.93Å; A229-F233 WeakPolarHBondContact O-CB 3.31Å; A229-F233 PolarHBondContact O-N 3.14Å; A229-F233 VanDerWaalsContact O-N 3.1Å |
| 230 | I | 96 | Very high | 90.2 | Very high | 36 Ų | 36 | 62.4 Ų | 62.4 | 19% | 0.185 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.7 | -49.4 | 169.9 | -70.3 | 163 | 0 | 0 | 0 | 110.1 | L174 A226 E227 L228 Q232 N234 V248 F250 | L174-I230 HydrophobicContact CD1-CG1 4.41Å; L174-I230 HydrophobicContact CD2-CD1 3.6Å; L174-I230 HydrophobicContact CD2-CG1 3.7Å; A226-I230 WeakPolarHBondContact O-CG1 3.12Å; A226-I230 PolarHBondContact O-N 2.79Å; E227-I230 PolarHBondContact O-N 3.42Å; L228-I230 VanDerWaalsContact C-N 3.33Å; L228-I230 PolarHBondContact O-N 2.81Å; I230-Q232 PolarHBondContact O-N 2.87Å; I230-N234 HydrophobicContact CG2-CB 4.46Å; I230-N234 WeakPolarHBondContact O-CB 3.27Å; I230-N234 PolarHBondContact O-N 3.12Å; I230-V248 HydrophobicContact CG1-CG1 3.96Å; I230-F250 HydrophobicContact CD1-CD1 4.07Å; I230-F250 HydrophobicContact CD1-CD2 3.89Å; I230-F250 HydrophobicContact CD1-CE1 3.98Å; I230-F250 HydrophobicContact CD1-CE2 3.78Å; I230-F250 HydrophobicContact CD1-CG 4.06Å; I230-F250 HydrophobicContact CD1-CZ 3.85Å |
| 231 | Q | 95.1 | Very high | 88.4 | Confident | 153 Ų | 153 | 69.7 Ų | 69.7 | 72% | 0.715 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63 | -39.2 | -177.7 | -69.7 | 172.2 | 22.6 | 0 | 0 | 112.8 | E227 L228 | E227-Q231 WeakPolarHBondContact O-CG 3.44Å; E227-Q231 PolarHBondContact O-N 2.69Å; L228-Q231 PolarHBondContact O-N 2.88Å; L228-Q231 VanDerWaalsContact O-N 3.16Å |
| 232 | Q | 93.2 | Very high | 86.9 | Confident | 133 Ų | 133 | 73.1 Ų | 73.1 | 62% | 0.621 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -81.4 | -37.4 | -175.8 | -172.3 | 65 | 14.2 | 0 | 0 | 113.5 | L228 I230 | L228-Q232 WeakPolarHBondContact O-CB 3.44Å; L228-Q232 PolarHBondContact O-N 3.43Å; I230-Q232 PolarHBondContact O-N 2.87Å |
| 233 | F | 93.7 | Very high | 85.9 | Confident | 15 Ų | 15 | 73.4 Ų | 73.4 | 7% | 0.066 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -111.8 | -11 | -170.5 | -68.3 | -66.5 | 0 | 0 | 0 | 115.4 | L191 F192 C195 A229 G235 Y236 L246 V248 | L191-F233 HydrophobicContact CD1-CD1 4.35Å; L191-F233 HydrophobicContact CD1-CE1 3.6Å; L191-F233 HydrophobicContact CD1-CZ 4.03Å; L191-F233 HydrophobicContact CG-CD1 4.46Å; L191-F233 HydrophobicContact CG-CE1 4Å; L191-F233 HydrophobicContact CG-CZ 4.23Å; L191-F233 WeakPolarHBondContact O-CE2 3.45Å; L191-F233 WeakPolarHBondContact O-CZ 3.45Å; F192-F233 AromaticContact CD1-CD2 3.67Å; F192-F233 HydrophobicContact CD1-CD2 3.67Å; F192-F233 HydrophobicContact CD1-CE2 4.18Å; F192-F233 HydrophobicContact CD1-CG 4.4Å; F192-F233 HydrophobicContact CE1-CB 3.73Å; F192-F233 AromaticContact CE1-CD2 3.55Å; F192-F233 HydrophobicContact CE1-CD2 3.55Å; F192-F233 HydrophobicContact CE1-CE2 4.45Å; F192-F233 AromaticContact CE1-CG 3.88Å; F192-F233 HydrophobicContact CE1-CG 3.88Å; F192-F233 HydrophobicContact CG-CD2 4.27Å; F192-F233 HydrophobicContact CG-CE2 4.42Å; F192-F233 HydrophobicContact CZ-CB 3.71Å; F192-F233 HydrophobicContact CZ-CD2 4.05Å; F192-F233 AromaticContact CZ-CG 3.95Å; F192-F233 HydrophobicContact CZ-CG 3.95Å; C195-F233 VanDerWaalsContact SG-CE2 3.58Å; A229-F233 WeakPolarHBondContact O-CB 3.31Å; A229-F233 PolarHBondContact O-N 3.14Å; A229-F233 VanDerWaalsContact O-N 3.1Å; F233-G235 PolarHBondContact O-N 2.96Å; F233-Y236 AromaticContact CD1-CD1 3.91Å; F233-Y236 HydrophobicContact CD1-CD1 3.91Å; F233-Y236 HydrophobicContact CD1-CD2 4.46Å; F233-Y236 HydrophobicContact CD1-CE1 4.48Å; F233-Y236 AromaticContact CD1-CG 3.9Å; F233-Y236 HydrophobicContact CD1-CG 3.9Å; F233-Y236 HydrophobicContact CE1-CD1 4.31Å; F233-Y236 HydrophobicContact CE1-CE1 4.44Å; F233-Y236 HydrophobicContact CE1-CG 4.46Å; F233-Y236 VanDerWaalsContact O-CB 3.31Å; F233-Y236 WeakPolarHBondContact O-CB 3.34Å; F233-Y236 PolarHBondContact O-N 2.92Å; F233-Y236 VanDerWaalsContact O-N 3.11Å; F233-L246 WeakPolarHBondContact O-CB 3.38Å; F233-V248 HydrophobicContact CB-CG2 3.91Å |
| 234 | N | 93 | Very high | 85.3 | Confident | 86 Ų | 86 | 72.3 Ų | 72.3 | 46% | 0.46 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | 114.7 | 173.1 | -172.8 | 62.7 | 0 | 0 | 0 | 110.7 | I230 I247 V248 | I230-N234 HydrophobicContact CG2-CB 4.46Å; I230-N234 WeakPolarHBondContact O-CB 3.27Å; I230-N234 PolarHBondContact O-N 3.12Å; N234-I247 WeakPolarHBondContact OD1-CA 3.46Å; N234-V248 HydrophobicContact CB-CB 4.09Å; N234-V248 PolarHBondContact OD1-N 3.39Å; N234-V248 PolarHBondContact OD1-O 2.74Å |
| 235 | G | 90.4 | Very high | 85.1 | Confident | 47 Ų | 47 | 69 Ų | 69 | 49% | 0.485 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.6 | -12.7 | -172 | 0 | 0 | 0 | 0 | 0 | 114.5 | F233 P245 L246 | F233-G235 PolarHBondContact O-N 2.96Å; G235-P245 WeakPolarHBondContact O-CB 3.4Å; G235-L246 PolarHBondContact N-O 3.31Å |
| 236 | Y | 89.8 | Confident | 85 | Confident | 115 Ų | 115 | 67.5 Ų | 67.5 | 45% | 0.451 | 39% | 0.386 | S | S | . | . | trans | -66.7 | 144.8 | 178.8 | -174.5 | -97.6 | 0 | 0 | 0 | 111.5 | L191 F233 V238 L246 | L191-Y236 HydrophobicContact CD1-CE1 4.21Å; F233-Y236 AromaticContact CD1-CD1 3.91Å; F233-Y236 HydrophobicContact CD1-CD1 3.91Å; F233-Y236 HydrophobicContact CD1-CD2 4.46Å; F233-Y236 HydrophobicContact CD1-CE1 4.48Å; F233-Y236 AromaticContact CD1-CG 3.9Å; F233-Y236 HydrophobicContact CD1-CG 3.9Å; F233-Y236 HydrophobicContact CE1-CD1 4.31Å; F233-Y236 HydrophobicContact CE1-CE1 4.44Å; F233-Y236 HydrophobicContact CE1-CG 4.46Å; F233-Y236 VanDerWaalsContact O-CB 3.31Å; F233-Y236 WeakPolarHBondContact O-CB 3.34Å; F233-Y236 PolarHBondContact O-N 2.92Å; F233-Y236 VanDerWaalsContact O-N 3.11Å; Y236-V238 HydrophobicContact CD1-CG2 3.85Å; Y236-V238 HydrophobicContact CE1-CG2 3.93Å; Y236-L246 WeakPolarHBondContact O-CB 3.47Å; Y236-L246 WeakPolarHBondContact O-CG 3.46Å; Y236-L246 PolarHBondContact O-N 3.44Å | ||
| 237 | R | 86.5 | Confident | 84.9 | Confident | 124 Ų | 124 | 71.8 Ų | 71.8 | 47% | 0.468 | 41% | 0.407 | S | S | . | . | trans | -106.8 | 120.5 | 176.9 | -68.7 | -177.7 | -170.1 | -110.7 | 5.9 | 110.3 | I241 D243 P245 | R237-I241 PolarHBondContact NH1-O 3.42Å; R237-D243 PolarHBondContact NH1-O 2.96Å; R237-P245 HydrophobicContact CG-CB 4.23Å | ||
| 238 | V | 79.3 | Confident | 84.9 | Confident | 23 Ų | 23 | 69.7 Ų | 69.7 | 14% | 0.139 | 40% | 0.398 | C | S | . | . | trans | -96.7 | 111.8 | 173.7 | -177.2 | 0 | 0 | 0 | 0 | 107.9 | P180 M183 L191 Y236 L246 | P180-V238 HydrophobicContact CG-CB 4.13Å; P180-V238 HydrophobicContact CG-CG1 4.03Å; P180-V238 WeakPolarHBondContact CG-O 3.47Å; M183-V238 HydrophobicContact CE-CG1 3.91Å; M183-V238 HydrophobicContact SD-CG1 4.09Å; L191-V238 HydrophobicContact CD2-CG2 3.45Å; L191-V238 VanDerWaalsContact CD2-CG2 3.45Å; Y236-V238 HydrophobicContact CD1-CG2 3.85Å; Y236-V238 HydrophobicContact CE1-CG2 3.93Å; V238-L246 HydrophobicContact CG2-CD1 3.67Å; V238-L246 HydrophobicContact CG2-CD2 4.1Å; V238-L246 HydrophobicContact CG2-CG 3.93Å | ||
| 239 | G | 72.7 | Confident | 84.9 | Confident | 68 Ų | 68 | 71.8 Ų | 71.8 | 70% | 0.701 | 40% | 0.404 | S | S | * | . | S | Bend | trans | 110.8 | -136.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 240 | S | 61 | Low | 84.8 | Confident | 74 Ų | 74 | 75.7 Ų | 75.7 | 52% | 0.517 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -82.1 | 164.3 | -176.8 | -172.1 | 0 | 0 | 0 | 0 | 112.2 | A242 D243 | S240-A242 PolarHBondContact O-N 2.86Å; S240-A242 VanDerWaalsContact O-N 3.16Å; S240-D243 WeakPolarHBondContact CB-OD2 3.39Å; S240-D243 PolarHBondContact N-OD2 3.35Å; S240-D243 WeakPolarHBondContact O-CB 3.44Å; S240-D243 PolarHBondContact O-N 3.27Å |
| 241 | I | 58.3 | Low | 84.6 | Confident | 153 Ų | 153 | 74.8 Ų | 74.8 | 79% | 0.785 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -27.7 | 174.2 | -61.4 | 170.8 | 0 | 0 | 0 | 111.3 | R237 D243 | R237-I241 PolarHBondContact NH1-O 3.42Å; I241-D243 VanDerWaalsContact C-N 3.34Å |
| 242 | A | 58.4 | Low | 84.2 | Confident | 93 Ų | 93 | 74.7 Ų | 74.7 | 77% | 0.769 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -19.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S240 | S240-A242 PolarHBondContact O-N 2.86Å; S240-A242 VanDerWaalsContact O-N 3.16Å |
| 243 | D | 70.9 | Confident | 83.2 | Confident | 59 Ų | 59 | 75 Ų | 75 | 32% | 0.316 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -73.6 | 145.8 | -179 | -70.4 | -60.7 | 0 | 0 | 0 | 111.2 | R237 S240 I241 | R237-D243 PolarHBondContact NH1-O 2.96Å; S240-D243 WeakPolarHBondContact CB-OD2 3.39Å; S240-D243 PolarHBondContact N-OD2 3.35Å; S240-D243 WeakPolarHBondContact O-CB 3.44Å; S240-D243 PolarHBondContact O-N 3.27Å; I241-D243 VanDerWaalsContact C-N 3.34Å |
| 244 | S | 80.5 | Confident | 81.7 | Confident | 77 Ų | 77 | 79.5 Ų | 79.5 | 54% | 0.538 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 142.8 | -178.2 | -67.4 | 0 | 0 | 0 | 0 | 111.2 | ||
| 245 | P | 90.1 | Very high | 79.7 | Confident | 49 Ų | 49 | 80.4 Ų | 80.4 | 32% | 0.318 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 141.6 | 172.7 | 29 | -34 | 0 | 0 | 0 | 110.2 | G235 R237 I247 | G235-P245 WeakPolarHBondContact O-CB 3.4Å; R237-P245 HydrophobicContact CG-CB 4.23Å; P245-I247 PolarHBondContact O-N 3.23Å |
| 246 | L | 93 | Very high | 77.4 | Confident | 1 Ų | 1 | 81.7 Ų | 81.7 | 1% | 0.005 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 134.1 | 173.8 | -65.3 | -167 | 0 | 0 | 0 | 110 | I176 C177 L179 L191 F192 F233 G235 Y236 V238 V248 | I176-L246 HydrophobicContact CG2-CD1 4.49Å; I176-L246 HydrophobicContact CG2-CD2 4.43Å; C177-L246 CarbonylContact O-C 3.58Å; C177-L246 VanDerWaalsContact O-CA 3.31Å; C177-L246 WeakPolarHBondContact O-CA 3.16Å; L179-L246 HydrophobicContact CD2-CD2 3.83Å; L191-L246 HydrophobicContact CD2-CD1 4.2Å; F192-L246 HydrophobicContact CE2-CD1 4.2Å; F192-L246 HydrophobicContact CZ-CD1 4.16Å; F233-L246 WeakPolarHBondContact O-CB 3.38Å; G235-L246 PolarHBondContact N-O 3.31Å; Y236-L246 WeakPolarHBondContact O-CB 3.47Å; Y236-L246 WeakPolarHBondContact O-CG 3.46Å; Y236-L246 PolarHBondContact O-N 3.44Å; V238-L246 HydrophobicContact CG2-CD1 3.67Å; V238-L246 HydrophobicContact CG2-CD2 4.1Å; V238-L246 HydrophobicContact CG2-CG 3.93Å; L246-V248 HydrophobicContact CB-CG2 4.11Å |
| 247 | I | 93.7 | Very high | 74.9 | Confident | 89 Ų | 89 | 82.7 Ų | 82.7 | 46% | 0.456 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 104.6 | 169.4 | -58.7 | 172.6 | 0 | 0 | 0 | 106.5 | I176 C177 N234 P245 | I176-I247 WeakPolarHBondContact CA-O 3.4Å; C177-I247 HydrophobicContact CB-CB 3.85Å; C177-I247 HydrophobicContact CB-CD1 4.49Å; C177-I247 PolarHBondContact N-O 2.99Å; C177-I247 PolarHBondContact O-N 2.69Å; N234-I247 WeakPolarHBondContact OD1-CA 3.46Å; P245-I247 PolarHBondContact O-N 3.23Å |
| 248 | V | 95.5 | Very high | 72.6 | Confident | 2 Ų | 2 | 85.6 Ų | 85.6 | 1% | 0.012 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 120.2 | -177.4 | -173.2 | 0 | 0 | 0 | 0 | 108.3 | L174 I176 F192 I230 F233 N234 L246 | L174-V248 HydrophobicContact CD1-CG1 3.79Å; I176-V248 HydrophobicContact CG1-CG1 4.3Å; I176-V248 HydrophobicContact CG1-CG2 4.44Å; I176-V248 HydrophobicContact CG2-CG2 4.33Å; F192-V248 HydrophobicContact CE1-CG1 4.12Å; F192-V248 HydrophobicContact CE1-CG2 4.2Å; F192-V248 HydrophobicContact CZ-CG2 3.88Å; I230-V248 HydrophobicContact CG1-CG1 3.96Å; F233-V248 HydrophobicContact CB-CG2 3.91Å; N234-V248 HydrophobicContact CB-CB 4.09Å; N234-V248 PolarHBondContact OD1-N 3.39Å; N234-V248 PolarHBondContact OD1-O 2.74Å; L246-V248 HydrophobicContact CB-CG2 4.11Å |
| 249 | K | 94.8 | Very high | 70.5 | Confident | 110 Ų | 110 | 91.7 Ų | 91.7 | 48% | 0.478 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 164.8 | -178.5 | 62.2 | -179.1 | 179.1 | -176.6 | 0 | 111.1 | L174 Y175 A251 | L174-K249 CarbonylContact C-O 3.54Å; L174-K249 WeakPolarHBondContact CA-O 3.47Å; Y175-K249 HydrophobicContact CD1-CD 4.45Å; Y175-K249 VanDerWaalsContact CD1-CE 3.46Å; Y175-K249 HydrophobicContact CD1-CG 4.17Å; Y175-K249 PolarHBondContact N-O 3.2Å; Y175-K249 PolarHBondContact O-N 3.18Å; K249-A251 PolarHBondContact O-N 3.34Å |
| 250 | F | 95.2 | Very high | 68.5 | Low | 83 Ų | 83 | 91.3 Ų | 91.3 | 36% | 0.364 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 136.2 | 169.3 | -67 | -64.8 | 0 | 0 | 0 | 111.6 | G171 L174 A226 E227 I230 | G171-F250 WeakPolarHBondContact O-CD1 3.46Å; G171-F250 WeakPolarHBondContact O-CE1 3.33Å; L174-F250 HydrophobicContact CD2-CD1 3.98Å; L174-F250 HydrophobicContact CD2-CE1 4.38Å; A226-F250 HydrophobicContact CB-CE1 4.38Å; E227-F250 HydrophobicContact CG-CE1 4.33Å; E227-F250 HydrophobicContact CG-CE2 4.45Å; E227-F250 HydrophobicContact CG-CZ 3.56Å; I230-F250 HydrophobicContact CD1-CD1 4.07Å; I230-F250 HydrophobicContact CD1-CD2 3.89Å; I230-F250 HydrophobicContact CD1-CE1 3.98Å; I230-F250 HydrophobicContact CD1-CE2 3.78Å; I230-F250 HydrophobicContact CD1-CG 4.06Å; I230-F250 HydrophobicContact CD1-CZ 3.85Å |
| 251 | A | 92.6 | Very high | 67.3 | Low | 16 Ų | 16 | 95.3 Ų | 95.3 | 13% | 0.132 | 54% | 0.54 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 138.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | N173 F217 K249 I253 | N173-A251 HydrophobicContact CB-CB 4.37Å; N173-A251 WeakPolarHBondContact ND2-CB 3.42Å; N173-A251 WeakPolarHBondContact O-CB 3.46Å; N173-A251 PolarHBondContact O-N 2.95Å; F217-A251 HydrophobicContact CD1-CB 4Å; F217-A251 HydrophobicContact CE1-CB 3.97Å; K249-A251 PolarHBondContact O-N 3.34Å; A251-I253 PolarHBondContact O-N 2.94Å |
| 252 | N | 85.9 | Confident | 66.1 | Low | 151 Ų | 151 | 94 Ų | 94 | 81% | 0.807 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 138.2 | 169.8 | -67.9 | -20.5 | 0 | 0 | 0 | 110.3 | P254 | N252-P254 WeakPolarHBondContact O-CD 3.23Š|
| 253 | I | 72.2 | Confident | 64.8 | Low | 141 Ų | 141 | 96.4 Ų | 96.4 | 72% | 0.723 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 124.3 | 173.4 | -56.7 | 175.1 | 0 | 0 | 0 | 108.1 | A251 T255 | A251-I253 PolarHBondContact O-N 2.94Å; I253-T255 HydrophobicContact CG2-CG2 4.29Å; I253-T255 PolarHBondContact O-N 3.27Å |
| 254 | P | 61.2 | Low | 63 | Low | 108 Ų | 108 | 99.4 Ų | 99.4 | 70% | 0.701 | 56% | 0.56 | S | S | * | * | trans | -78.9 | 68.3 | -173.5 | 31.9 | -36.3 | 0 | 0 | 0 | 111.9 | N252 S256 | N252-P254 WeakPolarHBondContact O-CD 3.23Å; P254-S256 PolarHBondContact O-N 2.97Å | ||
| 255 | T | 51 | Low | 60.9 | Low | 105 Ų | 105 | 101.7 Ų | 101.7 | 64% | 0.644 | 57% | 0.57 | S | S | * | * | trans | -72.4 | 116.5 | 170.5 | 47.3 | 0 | 0 | 0 | 0 | 109.9 | I253 N257 | I253-T255 HydrophobicContact CG2-CG2 4.29Å; I253-T255 PolarHBondContact O-N 3.27Å; T255-N257 VanDerWaalsContact C-N 3.28Å; T255-N257 PolarHBondContact O-N 3.1Å | ||
| 256 | S | 42.3 | Very low | 58.1 | Low | 75 Ų | 75 | 106.1 Ų | 106.1 | 52% | 0.524 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -78 | 69.4 | -173.9 | -55.7 | 0 | 0 | 0 | 0 | 113.1 | P254 | P254-S256 PolarHBondContact O-N 2.97Š|
| 257 | N | 37.1 | Very low | 55.3 | Low | 135 Ų | 135 | 111.9 Ų | 111.9 | 72% | 0.722 | 63% | 0.629 | S | S | * | * | trans | 176.7 | 94.6 | 142.6 | -91.9 | -18.1 | 0 | 0 | 0 | 111.4 | T255 | T255-N257 VanDerWaalsContact C-N 3.28Å; T255-N257 PolarHBondContact O-N 3.1Å | ||
| 258 | K | 38.8 | Very low | 52.3 | Low | 185 Ų | 185 | 116.3 Ų | 116.3 | 80% | 0.804 | 65% | 0.649 | S | S | * | * | trans | -104.2 | 82.4 | 156.8 | -91 | -160.4 | 171.4 | -165.8 | 0 | 109.8 | ||||
| 259 | N | 35.5 | Very low | 49.5 | Very low | 151 Ų | 151 | 123.4 Ų | 123.4 | 81% | 0.807 | 69% | 0.686 | S | S | * | * | trans | -79.3 | 118.6 | 159.9 | -78.3 | 8.4 | 0 | 0 | 0 | 108.3 | ||||
| 260 | G | 31 | Very low | 46.6 | Very low | 60 Ų | 60 | 124 Ų | 124 | 62% | 0.619 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 91.8 | 129.6 | 165 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 261 | I | 34.6 | Very low | 43.7 | Very low | 159 Ų | 159 | 125.7 Ų | 125.7 | 82% | 0.815 | 72% | 0.721 | S | S | * | * | trans | 53.7 | 98.8 | 138.9 | -43.6 | 169.7 | 0 | 0 | 0 | 117 | ||||
| 262 | T | 33.1 | Very low | 41 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 76% | 0.761 | 75% | 0.748 | S | S | * | * | -171.7 | 113.8 | 110.2 | 40.6 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 263 | N | 31.7 | Very low | 38.7 | Very low | 144 Ų | 144 | 128.8 Ų | 128.8 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | trans | -9.7 | 121.8 | 166.3 | -53.7 | -5.7 | 0 | 0 | 0 | 118.5 | ||||
| 264 | T | 33.1 | Very low | 36.9 | Very low | 122 Ų | 122 | 128.1 Ų | 128.1 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | -66.8 | 128.4 | 148.4 | -57.7 | 0 | 0 | 0 | 0 | 109 | N266 | T264-N266 WeakPolarHBondContact CG2-OD1 3.29Š| ||
| 265 | V | 36.2 | Very low | 35.6 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | trans | -121 | 99 | 162.8 | -81.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 266 | N | 32.6 | Very low | 35.1 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | -82.3 | 125.4 | 162 | -67.9 | -0.6 | 0 | 0 | 0 | 107.5 | T264 | T264-N266 WeakPolarHBondContact CG2-OD1 3.29Š| ||
| 267 | P | 32.7 | Very low | 34.9 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | -80.2 | 170.2 | 167.3 | 34.3 | -34.3 | 0 | 0 | 0 | 111.3 | ||||
| 268 | M | 31.7 | Very low | 34.9 | Very low | 182 Ų | 182 | 134.5 Ų | 134.5 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | trans | 68.5 | 142.6 | 178.4 | -97.7 | -179.2 | 169.6 | 0 | 0 | 115 | ||||
| 269 | I | 36.6 | Very low | 35 | Very low | 152 Ų | 152 | 129.6 Ų | 129.6 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | cis | -127.3 | 160.2 | 7.3 | -58.3 | 177.8 | 0 | 0 | 0 | 110.5 | ||||
| 270 | T | 33.1 | Very low | 35.2 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | -79.9 | 166.2 | -174.2 | 47.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 271 | S | 34.8 | Very low | 35.6 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | 97.5 | 139.9 | 158.9 | 79.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 272 | S | 37 | Very low | 35.9 | Very low | 101 Ų | 101 | 129.9 Ų | 129.9 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | cis | -149.1 | 150.3 | 7.1 | 46.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 273 | T | 36.6 | Very low | 36.1 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | trans | 47.4 | 119.2 | 148.1 | 53 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 274 | P | 34.3 | Very low | 36.4 | Very low | 127 Ų | 127 | 128.5 Ų | 128.5 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | trans | -116.3 | 177.6 | 168.9 | 42.3 | -32.8 | 0 | 0 | 0 | 115 | ||||
| 275 | T | 34 | Very low | 36.6 | Very low | 133 Ų | 133 | 129.5 Ų | 129.5 | 82% | 0.816 | 76% | 0.755 | S | S | * | * | trans | -147 | 141.5 | 169.7 | 44.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 276 | H | 40.4 | Very low | 36.8 | Very low | 166 Ų | 166 | 129.6 Ų | 129.6 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | 29.5 | 147.3 | 157.7 | -70.4 | -45.3 | 0 | 0 | 0 | 122.3 | ||||
| 277 | N | 38.8 | Very low | 36.9 | Very low | 130 Ų | 130 | 128.7 Ų | 128.7 | 70% | 0.695 | 75% | 0.745 | S | S | * | * | cis | -174.2 | -179.7 | 5.7 | -106.1 | -9.7 | 0 | 0 | 0 | 108.8 | ||||
| 278 | N | 36.9 | Very low | 36.7 | Very low | 127 Ų | 127 | 132.2 Ų | 132.2 | 68% | 0.679 | 74% | 0.744 | S | S | * | * | cis | 179.7 | 150.5 | -28.9 | 174.6 | 24.3 | 0 | 0 | 0 | 109.9 | ||||
| 279 | S | 40.4 | Very low | 36.7 | Very low | 83 Ų | 83 | 131.9 Ų | 131.9 | 58% | 0.58 | 74% | 0.74 | S | S | * | * | trans | 71 | 149.3 | 159.6 | -71 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 280 | N | 38.8 | Very low | 36.3 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 68% | 0.684 | 73% | 0.734 | S | S | * | * | cis | -167.1 | 163 | -8.9 | -115.2 | -10.1 | 0 | 0 | 0 | 114.1 | ||||
| 281 | N | 40.1 | Very low | 36.4 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 66% | 0.663 | 74% | 0.737 | S | S | * | * | trans | 70.3 | 151.8 | 155.5 | -59.8 | -16.1 | 0 | 0 | 0 | 120.6 | ||||
| 282 | N | 40.2 | Very low | 36.3 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 66% | 0.658 | 74% | 0.735 | S | S | * | * | cis | -170.6 | 154.9 | -21.9 | -99 | -19.7 | 0 | 0 | 0 | 112.8 | ||||
| 283 | N | 38.8 | Very low | 35.9 | Very low | 166 Ų | 166 | 137 Ų | 137 | 89% | 0.888 | 74% | 0.743 | S | S | * | * | trans | 67.8 | 148.5 | 169.1 | -47 | -28.9 | 0 | 0 | 0 | 116.3 | ||||
| 284 | G | 38.1 | Very low | 36 | Very low | 73 Ų | 73 | 136.9 Ų | 136.9 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | cis | 162.3 | 168.1 | -2.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 285 | N | 35.9 | Very low | 36.2 | Very low | 144 Ų | 144 | 135.5 Ų | 135.5 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | cis | -170.1 | 163.1 | -8.8 | -166.9 | 18.7 | 0 | 0 | 0 | 112.4 | ||||
| 286 | I | 40.6 | Very low | 36.1 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 65% | 0.651 | 73% | 0.727 | S | S | * | * | trans | 57 | 120.7 | 160.6 | 50.3 | 173.8 | 0 | 0 | 0 | 126.6 | ||||
| 287 | N | 34.6 | Very low | 35.9 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 66% | 0.658 | 72% | 0.723 | S | S | * | * | 97.6 | 110.2 | 123 | -71.8 | -1.5 | 0 | 0 | 0 | 125.9 | |||||
| 288 | Y | 29 | Very low | 36.1 | Very low | 195 Ų | 195 | 129.7 Ų | 129.7 | 77% | 0.765 | 71% | 0.714 | S | S | * | * | trans | 36.2 | 133.4 | 132.4 | -64.1 | -82.7 | 0 | 0 | 0 | 124 | ||||
| 289 | Q | 32.1 | Very low | 36.4 | Very low | 176 Ų | 176 | 128.9 Ų | 128.9 | 82% | 0.822 | 71% | 0.709 | S | S | * | * | -158 | 153 | 108.4 | -97.8 | -71 | -15.6 | 0 | 0 | 109.8 | |||||
| 290 | N | 28 | Very low | 36.9 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 65% | 0.647 | 71% | 0.711 | S | S | * | * | trans | -115.9 | 141.6 | 178.8 | -79.8 | -54.3 | 0 | 0 | 0 | 110.4 | ||||
| 291 | Q | 34.6 | Very low | 37.4 | Very low | 174 Ų | 174 | 130.1 Ų | 130.1 | 81% | 0.813 | 71% | 0.708 | S | S | * | * | trans | 167.9 | 175.1 | 131 | -93.5 | 160.4 | 98.9 | 0 | 0 | 114.8 | ||||
| 292 | T | 33.6 | Very low | 37.6 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 79% | 0.791 | 71% | 0.705 | S | S | * | * | trans | 65.8 | 97.4 | 165.9 | 53.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 293 | M | 27.9 | Very low | 37.9 | Very low | 176 Ų | 176 | 130.5 Ų | 130.5 | 87% | 0.867 | 71% | 0.709 | S | S | * | * | 26.8 | 118.7 | 115.2 | -72.1 | -80 | -78 | 0 | 0 | 118.8 | |||||
| 294 | T | 38.8 | Very low | 38.5 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 79% | 0.791 | 70% | 0.698 | S | S | * | * | -167.3 | 155.9 | 121.1 | -76.3 | 0 | 0 | 0 | 0 | 109.5 | L296 | T294-L296 PolarHBondContact O-N 3.27Š| |||
| 295 | T | 38.1 | Very low | 38.9 | Very low | 99 Ų | 99 | 132.7 Ų | 132.7 | 61% | 0.607 | 70% | 0.696 | S | S | * | * | trans | -63.3 | 114.9 | -173.7 | 44.6 | 0 | 0 | 0 | 0 | 113.6 | S297 S298 | T295-S297 PolarHBondContact O-N 2.83Å; T295-S297 VanDerWaalsContact O-N 3.1Å; T295-S298 PolarHBondContact O-N 3.07Å | ||
| 296 | L | 32.1 | Very low | 39.2 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 71% | 0.707 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -65.4 | -16.4 | -172.8 | -129.5 | 154.6 | 0 | 0 | 0 | 114.3 | T294 S298 | T294-L296 PolarHBondContact O-N 3.27Å; L296-S298 PolarHBondContact O-N 3.29Å |
| 297 | S | 37.6 | Very low | 39.5 | Very low | 100 Ų | 100 | 131.8 Ų | 131.8 | 70% | 0.699 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -62.7 | -25.6 | 174.4 | -51.4 | 0 | 0 | 0 | 0 | 113.9 | T295 | T295-S297 PolarHBondContact O-N 2.83Å; T295-S297 VanDerWaalsContact O-N 3.1Å |
| 298 | S | 42.5 | Very low | 40.1 | Very low | 71 Ų | 71 | 133.1 Ų | 133.1 | 50% | 0.497 | 70% | 0.699 | S | S | . | * | G | 310 helix | trans | -77.2 | -30.5 | -175 | -55.6 | 0 | 0 | 0 | 0 | 113.3 | T295 L296 I300 | T295-S298 PolarHBondContact O-N 3.07Å; L296-S298 PolarHBondContact O-N 3.29Å; S298-I300 PolarHBondContact O-N 2.88Å |
| 299 | L | 42.8 | Very low | 40.5 | Very low | 110 Ų | 110 | 127.5 Ų | 127.5 | 58% | 0.576 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -21.9 | -172.4 | -75.7 | 163.1 | 0 | 0 | 0 | 113.8 | N301 L302 | L299-N301 VanDerWaalsContact C-N 3.26Å; L299-N301 PolarHBondContact O-N 3.45Å; L299-L302 HydrophobicContact CD2-CD1 4.44Å; L299-L302 PolarHBondContact O-N 2.97Å |
| 300 | I | 49.9 | Very low | 41 | Very low | 122 Ų | 122 | 126.8 Ų | 126.8 | 63% | 0.626 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -24.4 | -179 | -65.8 | 175.7 | 0 | 0 | 0 | 112.1 | S298 | S298-I300 PolarHBondContact O-N 2.88Š|
| 301 | N | 49.1 | Very low | 41.6 | Very low | 116 Ų | 116 | 127.7 Ų | 127.7 | 62% | 0.62 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -28.4 | 179.3 | -78.4 | -23.5 | 0 | 0 | 0 | 113.9 | L299 K304 L305 | L299-N301 VanDerWaalsContact C-N 3.26Å; L299-N301 PolarHBondContact O-N 3.45Å; N301-K304 WeakPolarHBondContact O-CB 3.48Å; N301-K304 PolarHBondContact O-N 2.8Å; N301-L305 PolarHBondContact O-N 2.81Å |
| 302 | L | 44.5 | Very low | 41.7 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 61% | 0.607 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -69.5 | -43.2 | -176.9 | -71.6 | 170.9 | 0 | 0 | 0 | 112.3 | L299 K304 L305 A306 | L299-L302 HydrophobicContact CD2-CD1 4.44Å; L299-L302 PolarHBondContact O-N 2.97Å; L302-K304 PolarHBondContact O-N 2.84Å; L302-K304 VanDerWaalsContact O-N 3.13Å; L302-L305 PolarHBondContact O-N 2.87Å; L302-L305 VanDerWaalsContact O-N 3.12Å; L302-A306 PolarHBondContact O-N 3.04Å |
| 303 | N | 48.2 | Very low | 41.6 | Very low | 138 Ų | 138 | 130.5 Ų | 130.5 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -66.7 | -11.9 | 174.5 | -79.5 | -30.5 | 0 | 0 | 0 | 113.9 | ||
| 304 | K | 50.8 | Low | 42 | Very low | 149 Ų | 149 | 127.4 Ų | 127.4 | 65% | 0.648 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -88.2 | -19.9 | 174.7 | -124 | 175.7 | -175.8 | 176.9 | 0 | 113.5 | N301 L302 | N301-K304 WeakPolarHBondContact O-CB 3.48Å; N301-K304 PolarHBondContact O-N 2.8Å; L302-K304 PolarHBondContact O-N 2.84Å; L302-K304 VanDerWaalsContact O-N 3.13Å |
| 305 | L | 47.1 | Very low | 41.6 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 71% | 0.712 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -84.9 | -33.2 | 178.2 | -153 | 67.8 | 0 | 0 | 0 | 111.7 | N301 L302 M307 K308 | N301-L305 PolarHBondContact O-N 2.81Å; L302-L305 PolarHBondContact O-N 2.87Å; L302-L305 VanDerWaalsContact O-N 3.12Å; L305-M307 PolarHBondContact O-N 3.26Å; L305-M307 VanDerWaalsContact O-N 3.15Å; L305-K308 PolarHBondContact O-N 3Å |
| 306 | A | 42.2 | Very low | 41.5 | Very low | 76 Ų | 76 | 134.5 Ų | 134.5 | 63% | 0.628 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -19.8 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | L302 | L302-A306 PolarHBondContact O-N 3.04Š|
| 307 | M | 45 | Very low | 41.8 | Very low | 176 Ų | 176 | 134.9 Ų | 134.9 | 87% | 0.867 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | 11.3 | 180 | -87.2 | -169.7 | 164.2 | 0 | 0 | 115 | L305 | L305-M307 PolarHBondContact O-N 3.26Å; L305-M307 VanDerWaalsContact O-N 3.15Å |
| 308 | K | 47.3 | Very low | 41.7 | Very low | 151 Ų | 151 | 135.8 Ų | 135.8 | 66% | 0.657 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -107.9 | 2.5 | 176.2 | -154.4 | 63.6 | -160.8 | 152 | 0 | 115 | L305 E311 | L305-K308 PolarHBondContact O-N 3Å; K308-E311 IonicContact NZ-OE2 3.22Å; K308-E311 PolarHBondContact NZ-OE2 2.68Å |
| 309 | A | 39.2 | Very low | 41.3 | Very low | 78 Ų | 78 | 141.1 Ų | 141.1 | 65% | 0.645 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -93.5 | -17.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 310 | N | 41.3 | Very low | 40.9 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -106.5 | 15.7 | -167.6 | -79.5 | 5.3 | 0 | 0 | 0 | 115.8 | ||
| 311 | E | 40.9 | Very low | 40 | Very low | 140 Ų | 140 | 145 Ų | 145 | 65% | 0.654 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -98.8 | 8.7 | -179.4 | -80.4 | -173.4 | 124 | 0 | 0 | 114.8 | K308 | K308-E311 IonicContact NZ-OE2 3.22Å; K308-E311 PolarHBondContact NZ-OE2 2.68Å |
| 312 | L | 36 | Very low | 39.2 | Very low | 165 Ų | 165 | 145.3 Ų | 145.3 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -123.1 | 53.1 | -176.1 | -70.3 | 177.9 | 0 | 0 | 0 | 113.8 | ||
| 313 | Q | 32 | Very low | 38.8 | Very low | 197 Ų | 197 | 147.8 Ų | 147.8 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -155.3 | 33.7 | 175.7 | -123.8 | 162.9 | 36.8 | 0 | 0 | 116.7 | ||
| 314 | S | 37.3 | Very low | 38.1 | Very low | 110 Ų | 110 | 147.7 Ų | 147.7 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -139.4 | 33.3 | -176.9 | 59.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 315 | M | 30.7 | Very low | 37.4 | Very low | 196 Ų | 196 | 146.8 Ų | 146.8 | 97% | 0.966 | 78% | 0.781 | S | S | * | * | trans | -131.1 | 103.6 | 159.3 | -75.8 | -166.9 | 169.8 | 0 | 0 | 110.8 | ||||
| 316 | M | 34.5 | Very low | 36.8 | Very low | 182 Ų | 182 | 145.2 Ų | 145.2 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | trans | -97.3 | 120.9 | 175.1 | -71.3 | 169.9 | 56.5 | 0 | 0 | 111 | ||||
| 317 | T | 38.3 | Very low | 36.6 | Very low | 142 Ų | 142 | 146.2 Ų | 146.2 | 87% | 0.871 | 78% | 0.779 | S | S | * | * | trans | -149.7 | 116.2 | 147.8 | 32.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 318 | P | 36.6 | Very low | 36 | Very low | 120 Ų | 120 | 148 Ų | 148 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | -104.2 | 144 | -176.7 | 36.8 | -30.9 | 0 | 0 | 0 | 113.3 | ||||
| 319 | E | 32.8 | Very low | 35.2 | Very low | 183 Ų | 183 | 148.4 Ų | 148.4 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -160.1 | 164.4 | 153.7 | -135 | 175.2 | -173.5 | 0 | 0 | 113.3 | ||||
| 320 | L | 35.9 | Very low | 34.9 | Very low | 154 Ų | 154 | 151.1 Ų | 151.1 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | 68.3 | 59.1 | 168.3 | -51.9 | -171.3 | 0 | 0 | 0 | 119.8 | ||||
| 321 | L | 30.6 | Very low | 34.5 | Very low | 160 Ų | 160 | 152.1 Ų | 152.1 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | 3.4 | 122.6 | 125.3 | -166.1 | 83.6 | 0 | 0 | 0 | 118.3 | |||||
| 322 | N | 32.6 | Very low | 34 | Very low | 121 Ų | 121 | 152.5 Ų | 152.5 | 65% | 0.647 | 79% | 0.794 | S | S | * | * | 150 | 149 | 106.6 | -147.9 | -5.8 | 0 | 0 | 0 | 115 | |||||
| 323 | K | 36.6 | Very low | 33.8 | Very low | 168 Ų | 168 | 150.7 Ų | 150.7 | 73% | 0.73 | 79% | 0.79 | S | S | * | * | trans | 71.8 | 110.4 | 167.6 | -65.1 | -180 | -176.5 | -179.2 | 0 | 116.8 | ||||
| 324 | N | 33.1 | Very low | 33.7 | Very low | 136 Ų | 136 | 147.2 Ų | 147.2 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | 82.9 | 134.1 | 80 | -80.1 | 50.3 | 0 | 0 | 0 | 112 | |||||
| 325 | D | 34.6 | Very low | 33.5 | Very low | 131 Ų | 131 | 148.7 Ų | 148.7 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | cis | -146.8 | 161.3 | 16.1 | -76.6 | -55.8 | 0 | 0 | 0 | 113.9 | ||||
| 326 | S | 36.3 | Very low | 33.5 | Very low | 102 Ų | 102 | 145.6 Ų | 145.6 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | 34 | 146.1 | 138.7 | 81 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 327 | T | 36.2 | Very low | 33.7 | Very low | 97 Ų | 97 | 142.1 Ų | 142.1 | 60% | 0.595 | 77% | 0.77 | S | S | * | * | cis | -171.1 | 167.8 | 14.3 | -7.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 328 | Y | 33.1 | Very low | 33.4 | Very low | 213 Ų | 213 | 143.9 Ų | 143.9 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | trans | 77.9 | 116.5 | 153.5 | -59.4 | -52.6 | 0 | 0 | 0 | 122.6 | ||||
| 329 | D | 31 | Very low | 33 | Very low | 160 Ų | 160 | 145 Ų | 145 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | trans | -82.9 | 174.8 | 159.3 | -52.3 | -92.1 | 0 | 0 | 0 | 113.2 | ||||
| 330 | L | 33.2 | Very low | 33 | Very low | 136 Ų | 136 | 144 Ų | 144 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | 164.8 | 125.2 | 109.7 | -173.9 | 63.6 | 0 | 0 | 0 | 113.2 | |||||
| 331 | F | 33 | Very low | 32.7 | Very low | 182 Ų | 182 | 142 Ų | 142 | 80% | 0.798 | 76% | 0.759 | S | S | * | * | 156.8 | 135.2 | 128.5 | -92.9 | -66.8 | 0 | 0 | 0 | 113.3 | |||||
| 332 | N | 28.7 | Very low | 32.7 | Very low | 148 Ų | 148 | 140.9 Ų | 140.9 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | trans | -159.4 | 124.3 | 177.5 | -179.8 | 22.3 | 0 | 0 | 0 | 109.6 | ||||
| 333 | T | 31.8 | Very low | 32.9 | Very low | 127 Ų | 127 | 140.5 Ų | 140.5 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | trans | -153.5 | 137.7 | 177.6 | 48.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 334 | T | 30.1 | Very low | 32.8 | Very low | 124 Ų | 124 | 136.4 Ų | 136.4 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | trans | -132.9 | 130.6 | -178.9 | -55.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 335 | T | 32.9 | Very low | 32.8 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | trans | -150.3 | 162.2 | 164.5 | -18.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 336 | T | 32.2 | Very low | 32.8 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -124.1 | 177.9 | -160 | 15.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 337 | P | 37 | Very low | 32.8 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | trans | -102 | 175.4 | -142 | 41.1 | -40.5 | 0 | 0 | 0 | 117 | ||||
| 338 | Q | 33.3 | Very low | 32.4 | Very low | 179 Ų | 179 | 142.7 Ų | 142.7 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | -140.9 | 169.3 | 159.8 | -88.5 | -55.8 | -25.7 | 0 | 0 | 113.2 | ||||
| 339 | I | 28.5 | Very low | 32.5 | Very low | 144 Ų | 144 | 139.6 Ų | 139.6 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | trans | -110.6 | 153.3 | -169.1 | -52.7 | 166.3 | 0 | 0 | 0 | 110.4 | ||||
| 340 | I | 33.1 | Very low | 32.6 | Very low | 163 Ų | 163 | 139.8 Ų | 139.8 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | 165.9 | 170.6 | 138.6 | -84.7 | 159 | 0 | 0 | 0 | 111.2 | ||||
| 341 | T | 29.6 | Very low | 32.6 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 68% | 0.681 | 80% | 0.802 | S | S | * | * | trans | -101.4 | 166.6 | -154.3 | 54.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 342 | D | 30.6 | Very low | 32.7 | Very low | 137 Ų | 137 | 143 Ų | 143 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | 128.3 | 134.5 | 121.2 | -99.1 | -56.1 | 0 | 0 | 0 | 122.4 | |||||
| 343 | S | 35 | Very low | 32.7 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | 69.4 | 114.7 | 143.5 | -72 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 344 | G | 36.1 | Very low | 32.8 | Very low | 81 Ų | 81 | 137.5 Ų | 137.5 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | 111 | 148.4 | 139.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 345 | N | 32.9 | Very low | 33.1 | Very low | 168 Ų | 168 | 137.1 Ų | 137.1 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | cis | -163.9 | 146.2 | -15.2 | -167.1 | 3.2 | 0 | 0 | 0 | 111.8 | ||||
| 346 | G | 34.4 | Very low | 33 | Very low | 62 Ų | 62 | 137.9 Ų | 137.9 | 64% | 0.639 | 80% | 0.799 | S | S | * | * | trans | 87.2 | 145.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 347 | K | 35.8 | Very low | 32.9 | Very low | 211 Ų | 211 | 139.6 Ų | 139.6 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | cis | -143.3 | 135.2 | -2.2 | -66.1 | 177.7 | -178.8 | 173.1 | 0 | 110.4 | ||||
| 348 | N | 28.5 | Very low | 32.7 | Very low | 158 Ų | 158 | 138.9 Ų | 138.9 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | -110.9 | 144.5 | 170.1 | -84.1 | -22.3 | 0 | 0 | 0 | 110.8 | ||||
| 349 | T | 35.1 | Very low | 32.6 | Very low | 148 Ų | 148 | 136.4 Ų | 136.4 | 91% | 0.908 | 79% | 0.79 | S | S | * | * | trans | -140.9 | 120.2 | 158.3 | 49 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 350 | Q | 32.1 | Very low | 32.8 | Very low | 163 Ų | 163 | 133.8 Ų | 133.8 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | -138.1 | 120.3 | -171.4 | -178.6 | -175.2 | 19.8 | 0 | 0 | 110 | ||||
| 351 | R | 33.1 | Very low | 32.7 | Very low | 242 Ų | 242 | 131.4 Ų | 131.4 | 91% | 0.913 | 78% | 0.783 | S | S | * | * | trans | -145.7 | 111.9 | 164.8 | -65.1 | -172.6 | -178.2 | -95 | -1.1 | 106.6 | ||||
| 352 | I | 35.9 | Very low | 32.7 | Very low | 145 Ų | 145 | 134.2 Ų | 134.2 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | 76.3 | 97.1 | 57 | -57.8 | 166.2 | 0 | 0 | 0 | 112.4 | |||||
| 353 | G | 29.1 | Very low | 32.8 | Very low | 82 Ų | 82 | 137.3 Ų | 137.3 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | 65.9 | 120.9 | 130.6 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 354 | G | 34.3 | Very low | 32.4 | Very low | 77 Ų | 77 | 139.1 Ų | 139.1 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | -177.7 | 129.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 355 | P | 35.6 | Very low | 32.1 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | trans | -122.5 | 163.8 | -167.1 | 43.1 | -33.3 | 0 | 0 | 0 | 117 | ||||
| 356 | I | 31.3 | Very low | 32 | Very low | 156 Ų | 156 | 145.9 Ų | 145.9 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | 61.7 | 116.9 | 154.9 | -59.1 | 150 | 0 | 0 | 0 | 118.9 | ||||
| 357 | H | 30.1 | Very low | 31.9 | Very low | 167 Ų | 167 | 149.6 Ų | 149.6 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | -175.5 | 144.6 | 112.2 | -157.1 | -92.1 | 0 | 0 | 0 | 112 | |||||
| 358 | P | 32.3 | Very low | 31.8 | Very low | 95 Ų | 95 | 144.8 Ų | 144.8 | 62% | 0.617 | 78% | 0.783 | S | S | * | * | trans | -96.2 | -177.5 | 174.9 | 37.4 | -36.9 | 0 | 0 | 0 | 114.7 | ||||
| 359 | T | 32.1 | Very low | 32 | Very low | 126 Ų | 126 | 145.3 Ų | 145.3 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | 107.6 | 155.1 | 165.3 | -43.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 360 | A | 30.8 | Very low | 31.9 | Very low | 90 Ų | 90 | 145.8 Ų | 145.8 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | trans | 73.5 | 95.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 361 | V | 31.8 | Very low | 31.8 | Very low | 112 Ų | 112 | 141.4 Ų | 141.4 | 68% | 0.679 | 78% | 0.78 | S | S | * | * | cis | 83.2 | 136 | 33 | -167.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 362 | H | 30 | Very low | 31.8 | Very low | 171 Ų | 171 | 135.8 Ų | 135.8 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | trans | 85.8 | 138.7 | -177.4 | -47.8 | 99.7 | 0 | 0 | 0 | 115.2 | ||||
| 363 | K | 31.9 | Very low | 31.5 | Very low | 202 Ų | 202 | 133.7 Ų | 133.7 | 88% | 0.878 | 78% | 0.782 | S | S | * | * | cis | -138.3 | 139.4 | 8.1 | -133.3 | 166.6 | -172.2 | 174.7 | 0 | 110.6 | ||||
| 364 | L | 27.5 | Very low | 31.6 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | -87 | 147.3 | -173.2 | -68.9 | 161.7 | 0 | 0 | 0 | 113.3 | F366 | L364-F366 HydrophobicContact CD1-CE2 4.29Å; L364-F366 HydrophobicContact CD2-CE2 4.37Å | ||
| 365 | R | 30.3 | Very low | 31.5 | Very low | 221 Ų | 221 | 139.2 Ų | 139.2 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | -143 | 116 | 143.7 | -162.8 | 176.7 | -169.1 | -163.5 | 1.4 | 108.8 | ||||
| 366 | F | 31 | Very low | 31.3 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 75% | 0.746 | 78% | 0.781 | S | S | * | * | trans | -70.1 | 145.3 | 179.2 | -85.7 | -101.8 | 0 | 0 | 0 | 111.5 | L364 | L364-F366 HydrophobicContact CD1-CE2 4.29Å; L364-F366 HydrophobicContact CD2-CE2 4.37Å | ||
| 367 | N | 32 | Very low | 31.3 | Very low | 139 Ų | 139 | 143.6 Ų | 143.6 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | trans | -133.9 | 122.4 | 150.8 | -159.2 | 36.5 | 0 | 0 | 0 | 107.2 | L369 | N367-L369 PolarHBondContact O-N 3.24Š| ||
| 368 | P | 32.3 | Very low | 31.4 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -91.6 | 84.3 | -165.7 | 34.4 | -34.3 | 0 | 0 | 0 | 112.3 | ||
| 369 | L | 34.1 | Very low | 31.3 | Very low | 170 Ų | 170 | 145.2 Ų | 145.2 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -172.9 | 39.1 | 163.6 | -109.1 | 165.5 | 0 | 0 | 0 | 113.1 | N367 | N367-L369 PolarHBondContact O-N 3.24Š|
| 370 | D | 32.5 | Very low | 31.2 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | -134.6 | 145.2 | -174.3 | -109.8 | -49.2 | 0 | 0 | 0 | 114.1 | ||||
| 371 | G | 30.4 | Very low | 31.4 | Very low | 71 Ų | 71 | 148.5 Ų | 148.5 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | trans | -133.3 | -7.3 | -164.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 372 | C | 32.5 | Very low | 31.5 | Very low | 124 Ų | 124 | 150.6 Ų | 150.6 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | -172 | 143.2 | 163.7 | -103.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 373 | A | 29.5 | Very low | 31.6 | Very low | 102 Ų | 102 | 147.1 Ų | 147.1 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -139.5 | 136.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 374 | I | 31.6 | Very low | 31.7 | Very low | 159 Ų | 159 | 144 Ų | 144 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | trans | -136.7 | 137 | 179.5 | -64.5 | -175.6 | 0 | 0 | 0 | 108.1 | ||||
| 375 | P | 31.5 | Very low | 31.9 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 148.6 | -156.7 | 33.5 | -37.2 | 0 | 0 | 0 | 115.6 | ||
| 376 | V | 32.3 | Very low | 32.1 | Very low | 133 Ų | 133 | 140.7 Ų | 140.7 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 126.5 | 167.5 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | ||
| 377 | R | 30.9 | Very low | 32.2 | Very low | 229 Ų | 229 | 139.8 Ų | 139.8 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 121.7 | 163.7 | -75.4 | -148.9 | -73.9 | -173.5 | -5.1 | 110.2 | ||
| 378 | I | 31.1 | Very low | 32.4 | Very low | 152 Ų | 152 | 138.6 Ų | 138.6 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 127.4 | 167.2 | -59.6 | 170.9 | 0 | 0 | 0 | 107.8 | ||
| 379 | N | 31.2 | Very low | 32.4 | Very low | 145 Ų | 145 | 140.8 Ų | 140.8 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | trans | -107.3 | 148.5 | 162.5 | -103.3 | 10.1 | 0 | 0 | 0 | 108.8 | ||||
| 380 | P | 30.8 | Very low | 32.4 | Very low | 102 Ų | 102 | 139 Ų | 139 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | trans | -116.6 | 63.6 | -150.3 | 39.1 | -25.5 | 0 | 0 | 0 | 114.7 | ||||
| 381 | F | 33.8 | Very low | 32.4 | Very low | 183 Ų | 183 | 138.4 Ų | 138.4 | 80% | 0.803 | 78% | 0.775 | S | S | * | * | trans | -146.7 | 137.1 | 161.3 | -61.4 | -83.9 | 0 | 0 | 0 | 105.6 | ||||
| 382 | D | 33.8 | Very low | 32.4 | Very low | 156 Ų | 156 | 142.3 Ų | 142.3 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | cis | -126.8 | -173.5 | 21.2 | -87.8 | -58 | 0 | 0 | 0 | 114.9 | ||||
| 383 | S | 33.1 | Very low | 32.4 | Very low | 97 Ų | 97 | 142.3 Ų | 142.3 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | trans | -104.5 | 138.3 | -155 | -59.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 384 | I | 33.2 | Very low | 32.6 | Very low | 136 Ų | 136 | 142.1 Ų | 142.1 | 70% | 0.697 | 77% | 0.768 | S | S | * | * | trans | 55.2 | 109.4 | 137.4 | -55.7 | 165.5 | 0 | 0 | 0 | 117.6 | ||||
| 385 | N | 32.9 | Very low | 32.6 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | -153.7 | 163.7 | 97.1 | -137 | -28.8 | 0 | 0 | 0 | 113.1 | |||||
| 386 | H | 33.4 | Very low | 32.8 | Very low | 148 Ų | 148 | 139.4 Ų | 139.4 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | trans | -110.3 | 174.5 | -162.3 | -83.5 | -98.9 | 0 | 0 | 0 | 115 | ||||
| 387 | N | 33.8 | Very low | 32.6 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | trans | 87.5 | 128.1 | 164.9 | -55 | -28.6 | 0 | 0 | 0 | 115.7 | ||||
| 388 | S | 36.7 | Very low | 32.4 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | cis | -136.6 | 140.1 | 2.6 | -74.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 389 | I | 31.2 | Very low | 32.4 | Very low | 155 Ų | 155 | 128.5 Ų | 128.5 | 80% | 0.795 | 75% | 0.751 | S | S | * | * | trans | -92.9 | 150.4 | 165.5 | -62.1 | 167.7 | 0 | 0 | 0 | 108.1 | ||||
| 390 | N | 33.5 | Very low | 32.2 | Very low | 134 Ų | 134 | 129.6 Ų | 129.6 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | trans | 147.7 | 133 | 151.6 | -74.8 | -15.5 | 0 | 0 | 0 | 108.8 | ||||
| 391 | N | 33.5 | Very low | 32.3 | Very low | 143 Ų | 143 | 128.1 Ų | 128.1 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | cis | -147.2 | 154.6 | 2 | -107.6 | -27.1 | 0 | 0 | 0 | 112.2 | ||||
| 392 | L | 30.6 | Very low | 32 | Very low | 154 Ų | 154 | 128 Ų | 128 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | trans | -73.1 | 166.9 | 164.9 | -67.3 | 159.3 | 0 | 0 | 0 | 109.1 | ||||
| 393 | T | 31.8 | Very low | 31.9 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | -179 | 161.5 | 73.1 | 41.1 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 394 | S | 33.8 | Very low | 31.6 | Very low | 98 Ų | 98 | 134.9 Ų | 134.9 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | trans | 44.5 | 110.2 | 150.1 | 54.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 395 | S | 31.2 | Very low | 31.5 | Very low | 95 Ų | 95 | 135.8 Ų | 135.8 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | 97.5 | 154.6 | 64.1 | -78.7 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 396 | P | 35.5 | Very low | 31.4 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | trans | -118.5 | 164.2 | -149.9 | 41.5 | -31.8 | 0 | 0 | 0 | 115.9 | ||||
| 397 | A | 28.5 | Very low | 31.6 | Very low | 89 Ų | 89 | 133.4 Ų | 133.4 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | -160.6 | 133.8 | 149.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 398 | S | 27.9 | Very low | 31.5 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | 36.4 | 145.8 | 142.5 | 65.7 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 399 | A | 30.4 | Very low | 31.4 | Very low | 84 Ų | 84 | 130.7 Ų | 130.7 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | trans | 85.4 | 120.5 | 142 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 400 | N | 27.5 | Very low | 31.6 | Very low | 167 Ų | 167 | 130.1 Ų | 130.1 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | 42.7 | 102.3 | 129.6 | -54.9 | -5 | 0 | 0 | 0 | 119.4 | |||||
| 401 | G | 31.6 | Very low | 31.6 | Very low | 72 Ų | 72 | 129.8 Ų | 129.8 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | 156.7 | 95.1 | 168 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 402 | L | 27.8 | Very low | 31.8 | Very low | 181 Ų | 181 | 129.6 Ų | 129.6 | 95% | 0.948 | 77% | 0.766 | S | S | * | * | 43.9 | 71.5 | 69.9 | -91.9 | 176 | 0 | 0 | 0 | 114.5 | |||||
| 403 | R | 31 | Very low | 31.9 | Very low | 231 Ų | 231 | 129.6 Ų | 129.6 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | trans | -158 | 135.3 | 130.8 | -132.5 | 170.8 | 177 | -147 | -3.6 | 114.6 | ||||
| 404 | L | 26.9 | Very low | 32 | Very low | 165 Ų | 165 | 130.6 Ų | 130.6 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | -83.9 | 144.1 | 167.4 | -69.2 | 158.9 | 0 | 0 | 0 | 110.4 | ||||
| 405 | I | 32.5 | Very low | 31.9 | Very low | 156 Ų | 156 | 130.3 Ų | 130.3 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | trans | -173.3 | 133.1 | 147.6 | -91.5 | 141.8 | 0 | 0 | 0 | 106 | ||||
| 406 | G | 31 | Very low | 31.8 | Very low | 60 Ų | 60 | 130.6 Ų | 130.6 | 62% | 0.619 | 78% | 0.777 | S | S | * | * | cis | 133.3 | 89 | -6.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 407 | K | 36.7 | Very low | 31.6 | Very low | 193 Ų | 193 | 132.5 Ų | 132.5 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | trans | 167.5 | 153.3 | 164.6 | -97.5 | 155.5 | -177.3 | -178.9 | 0 | 108.4 | ||||
| 408 | N | 32 | Very low | 31.6 | Very low | 150 Ų | 150 | 133.2 Ų | 133.2 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | cis | -167.4 | 143.6 | -26.9 | -109.3 | 15.1 | 0 | 0 | 0 | 104.6 | ||||
| 409 | G | 34.4 | Very low | 31.7 | Very low | 58 Ų | 58 | 135.8 Ų | 135.8 | 60% | 0.598 | 78% | 0.782 | S | S | * | * | cis | 167 | -175.6 | -3.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 410 | N | 35.4 | Very low | 31.5 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | trans | 79.1 | 133.8 | 166.3 | -46.7 | -13.3 | 0 | 0 | 0 | 117.9 | ||||
| 411 | N | 34.5 | Very low | 31.4 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 68% | 0.684 | 78% | 0.784 | S | S | * | * | cis | -162.4 | 163.4 | -18.8 | -110.1 | -18.6 | 0 | 0 | 0 | 111.5 | ||||
| 412 | N | 36.9 | Very low | 31.3 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | 69.7 | 103.1 | 170.6 | -55.1 | -13.6 | 0 | 0 | 0 | 114.9 | ||||
| 413 | M | 32.1 | Very low | 31.4 | Very low | 155 Ų | 155 | 132.6 Ų | 132.6 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | cis | 66.4 | 126.1 | 46.1 | -41.4 | -118.1 | -68.1 | 0 | 0 | 110.8 | ||||
| 414 | N | 33.5 | Very low | 31.2 | Very low | 144 Ų | 144 | 125.7 Ų | 125.7 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | cis | -149.6 | 167.1 | 22.8 | -73 | -72.7 | 0 | 0 | 0 | 109.8 | ||||
| 415 | A | 33 | Very low | 31.2 | Very low | 93 Ų | 93 | 122.5 Ų | 122.5 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | cis | -162.7 | 157.7 | -20.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 416 | A | 28.6 | Very low | 31.2 | Very low | 101 Ų | 101 | 121.6 Ų | 121.6 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | -115.9 | 124.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 417 | I | 30.6 | Very low | 31 | Very low | 162 Ų | 162 | 129.7 Ų | 129.7 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | trans | -143.8 | 95.3 | 168.2 | -54 | -179.4 | 0 | 0 | 0 | 105.6 | ||||
| 418 | S | 30.1 | Very low | 30.5 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | 69.8 | 103.7 | 78.7 | -166.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 419 | L | 29.8 | Very low | 30.5 | Very low | 167 Ų | 167 | 123.2 Ų | 123.2 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | -135.7 | 47.6 | 169.2 | -162 | 93.4 | 0 | 0 | 0 | 111.4 | ||||
| 420 | A | 25.1 | Very low | 30.2 | Very low | 99 Ų | 99 | 124.8 Ų | 124.8 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -114 | 25.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 421 | A | 25.6 | Very low | 29.9 | Very low | 97 Ų | 97 | 124.8 Ų | 124.8 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | -161.4 | 77.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 422 | A | 29.3 | Very low | 29.5 | Very low | 76 Ų | 76 | 124.2 Ų | 124.2 | 63% | 0.628 | 77% | 0.774 | S | S | * | * | trans | -146 | 112.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 423 | L | 29.9 | Very low | 29.1 | Very low | 164 Ų | 164 | 123.9 Ų | 123.9 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | trans | 46.3 | 104.9 | 156.1 | -61.2 | 157.4 | 0 | 0 | 0 | 116.3 | ||||
| 424 | A | 26.4 | Very low | 28.9 | Very low | 87 Ų | 87 | 123 Ų | 123 | 72% | 0.719 | 78% | 0.78 | S | S | * | * | cis | 54 | 117.9 | 27.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 425 | A | 27.2 | Very low | 28.6 | Very low | 98 Ų | 98 | 122.3 Ų | 122.3 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | 77.9 | 154.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 426 | V | 33.3 | Very low | 28.6 | Very low | 136 Ų | 136 | 124.8 Ų | 124.8 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | 65 | 92.4 | -177.1 | -165 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 427 | R | 26.2 | Very low | 28.6 | Very low | 231 Ų | 231 | 126.2 Ų | 126.2 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | cis | 86.1 | 106.8 | 45.7 | -173.3 | -171 | 177.2 | 132.9 | -3.2 | 112.7 | ||||
| 428 | A | 27 | Very low | 28.6 | Very low | 89 Ų | 89 | 122.7 Ų | 122.7 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | 64.9 | 164.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 429 | T | 30.7 | Very low | 28.7 | Very low | 118 Ų | 118 | 123.8 Ų | 123.8 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | cis | -151.1 | 154.7 | 16.1 | -31.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 430 | T | 29.9 | Very low | 28.8 | Very low | 91 Ų | 91 | 123.3 Ų | 123.3 | 56% | 0.558 | 78% | 0.781 | S | S | * | * | trans | 28.9 | 115 | 154.6 | 47.7 | 0 | 0 | 0 | 0 | 119 | T432 | T430-T432 PolarHBondContact O-N 3.4Š| ||
| 431 | T | 27.2 | Very low | 29.3 | Very low | 142 Ų | 142 | 123.7 Ų | 123.7 | 87% | 0.871 | 77% | 0.773 | S | S | * | * | 25.1 | 72.2 | 73.2 | 66.1 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 432 | T | 27.2 | Very low | 29.6 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | trans | -152.4 | 140.2 | 160.2 | 11.9 | 0 | 0 | 0 | 0 | 111.8 | T430 | T430-T432 PolarHBondContact O-N 3.4Š| ||
| 433 | T | 27.3 | Very low | 29.7 | Very low | 130 Ų | 130 | 128.5 Ų | 128.5 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | trans | -77.7 | 143.3 | 169.2 | 47.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 434 | T | 28.3 | Very low | 30 | Very low | 138 Ų | 138 | 129.3 Ų | 129.3 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | trans | -156.6 | 111.5 | 146.6 | 12.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 435 | T | 28.3 | Very low | 30.6 | Very low | 129 Ų | 129 | 129.3 Ų | 129.3 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | -75.7 | 131.2 | 161.8 | -50.3 | 0 | 0 | 0 | 0 | 108.2 | T437 | T435-T437 PolarHBondContact O-N 3.28Š| ||
| 436 | T | 31.6 | Very low | 31 | Very low | 144 Ų | 144 | 131.8 Ų | 131.8 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | trans | -69.9 | 99.7 | -178.6 | -47.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 437 | T | 29.2 | Very low | 31.4 | Very low | 131 Ų | 131 | 130.5 Ų | 130.5 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -76.9 | 131.1 | 179 | 50.3 | 0 | 0 | 0 | 0 | 112.6 | T435 | T435-T437 PolarHBondContact O-N 3.28Š| ||
| 438 | A | 30.9 | Very low | 31.9 | Very low | 89 Ų | 89 | 127.5 Ų | 127.5 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | trans | -125.7 | 109.8 | 156.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 439 | T | 31.2 | Very low | 32.2 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | 47.8 | 103.7 | 156.3 | 58.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 440 | L | 33.6 | Very low | 32.5 | Very low | 157 Ų | 157 | 130 Ų | 130 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | 175.5 | 119.5 | 104.2 | -89.5 | 164.1 | 0 | 0 | 0 | 114.4 | |||||
| 441 | T | 34.2 | Very low | 32.8 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | trans | 59.7 | 109 | 148 | 54 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 442 | N | 32.4 | Very low | 33.1 | Very low | 132 Ų | 132 | 134 Ų | 134 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | 93.9 | 113.2 | 122.7 | -60.2 | -0.7 | 0 | 0 | 0 | 123.9 | |||||
| 443 | N | 32.5 | Very low | 33.3 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | trans | 70.6 | 144.4 | 139.5 | -53.8 | -4.8 | 0 | 0 | 0 | 120.4 | ||||
| 444 | Q | 34.7 | Very low | 33.6 | Very low | 180 Ų | 180 | 134.1 Ų | 134.1 | 84% | 0.841 | 76% | 0.757 | S | S | * | * | cis | -159.8 | -174.2 | -29.6 | -127 | -156.8 | -86.1 | 0 | 0 | 108.1 | ||||
| 445 | P | 38.7 | Very low | 33.9 | Very low | 87 Ų | 87 | 135 Ų | 135 | 57% | 0.565 | 75% | 0.751 | S | S | * | * | trans | -130.5 | -177.4 | -138.1 | 38.7 | -15.8 | 0 | 0 | 0 | 117.1 | ||||
| 446 | D | 37.1 | Very low | 34.3 | Very low | 151 Ų | 151 | 135.5 Ų | 135.5 | 81% | 0.807 | 75% | 0.748 | S | S | * | * | 172.9 | 156.7 | 110.4 | -93.2 | -34.6 | 0 | 0 | 0 | 115.5 | |||||
| 447 | P | 40.9 | Very low | 34.5 | Very low | 109 Ų | 109 | 136 Ų | 136 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | trans | -131.2 | -179.9 | -175.2 | 43.4 | -28.3 | 0 | 0 | 0 | 116.2 | ||||
| 448 | L | 37.9 | Very low | 34.8 | Very low | 168 Ų | 168 | 133.1 Ų | 133.1 | 88% | 0.88 | 74% | 0.742 | S | S | * | * | trans | 177.2 | -171.5 | 138.2 | -94.5 | 172.6 | 0 | 0 | 0 | 114 | ||||
| 449 | Q | 33.1 | Very low | 35 | Very low | 168 Ų | 168 | 137.2 Ų | 137.2 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | -155 | 163.6 | -126.3 | -139.1 | -172.3 | 50.1 | 0 | 0 | 117.6 | |||||
| 450 | T | 36.9 | Very low | 35.1 | Very low | 90 Ų | 90 | 136.2 Ų | 136.2 | 55% | 0.552 | 75% | 0.745 | S | S | * | * | trans | 98.9 | 132.6 | 134.2 | -70.9 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 451 | Q | 35.6 | Very low | 35.1 | Very low | 169 Ų | 169 | 136 Ų | 136 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | trans | 71.2 | 160.9 | 157.1 | -80.7 | 167.7 | 48.4 | 0 | 0 | 121.4 | ||||
| 452 | L | 34.4 | Very low | 35 | Very low | 148 Ų | 148 | 139.2 Ų | 139.2 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | cis | -147.3 | -163.5 | 4.8 | -132.1 | 164.9 | 0 | 0 | 0 | 112.8 | ||||
| 453 | L | 30.9 | Very low | 35 | Very low | 149 Ų | 149 | 140.9 Ų | 140.9 | 78% | 0.78 | 76% | 0.756 | S | S | * | * | trans | -142.7 | 167 | -160.2 | -157 | 97.8 | 0 | 0 | 0 | 115.4 | ||||
| 454 | T | 33 | Very low | 35.1 | Very low | 102 Ų | 102 | 139.9 Ų | 139.9 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | trans | 93.8 | 127.9 | 150.7 | -17.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 455 | Q | 34.1 | Very low | 35.1 | Very low | 155 Ų | 155 | 135 Ų | 135 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | 156.4 | 155.8 | 116.2 | -90.7 | -59.8 | -8.8 | 0 | 0 | 117.9 | |||||
| 456 | L | 37.1 | Very low | 34.8 | Very low | 141 Ų | 141 | 137.7 Ų | 137.7 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | 65.9 | 127.4 | 171.8 | -55.5 | 176.6 | 0 | 0 | 0 | 117.5 | ||||
| 457 | N | 36.4 | Very low | 34.5 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | cis | 78.5 | 125.9 | 46.7 | -67.8 | -20.8 | 0 | 0 | 0 | 114.4 | ||||
| 458 | G | 34.7 | Very low | 33.9 | Very low | 71 Ų | 71 | 136.2 Ų | 136.2 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | cis | 165.9 | -179.9 | -8.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 459 | I | 34.7 | Very low | 33.5 | Very low | 176 Ų | 176 | 137.8 Ų | 137.8 | 90% | 0.903 | 77% | 0.77 | S | S | * | * | trans | 84 | 144.3 | 163.1 | -68.7 | 172.8 | 0 | 0 | 0 | 119.2 | ||||
| 460 | P | 34.7 | Very low | 33.5 | Very low | 105 Ų | 105 | 135.5 Ų | 135.5 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | trans | -136.2 | -174.7 | -153.6 | 36.7 | -14 | 0 | 0 | 0 | 117 | ||||
| 461 | Q | 33.5 | Very low | 33.4 | Very low | 153 Ų | 153 | 139 Ų | 139 | 72% | 0.715 | 78% | 0.781 | S | S | * | * | 157.3 | 146 | 127.7 | -78.9 | -100.3 | -11.7 | 0 | 0 | 116.3 | |||||
| 462 | Q | 32.2 | Very low | 33.3 | Very low | 173 Ų | 173 | 136.6 Ų | 136.6 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | trans | 80.1 | 142.7 | 151.7 | -75.5 | 163.3 | 50.8 | 0 | 0 | 123.6 | ||||
| 463 | L | 30.9 | Very low | 33.1 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -123.3 | -173.1 | -176.5 | -113.9 | 80.9 | 0 | 0 | 0 | 108.1 | ||||
| 464 | P | 36.5 | Very low | 33 | Very low | 122 Ų | 122 | 142.2 Ų | 142.2 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | cis | -129.9 | 175.1 | -4.9 | 36.1 | -17.9 | 0 | 0 | 0 | 115 | ||||
| 465 | G | 33.9 | Very low | 33 | Very low | 77 Ų | 77 | 140 Ų | 140 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | 174.9 | 101.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 466 | V | 31.8 | Very low | 33.1 | Very low | 145 Ų | 145 | 139.1 Ų | 139.1 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | -69.1 | 157 | 172.4 | -123.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 467 | I | 31.8 | Very low | 32.8 | Very low | 162 Ų | 162 | 139.3 Ų | 139.3 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | cis | -140 | 147.9 | 18.6 | -53.5 | 171.3 | 0 | 0 | 0 | 109.5 | ||||
| 468 | G | 28.2 | Very low | 32.8 | Very low | 67 Ų | 67 | 139 Ų | 139 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | trans | -98.9 | 159.8 | -177 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 469 | F | 29.8 | Very low | 32.8 | Very low | 200 Ų | 200 | 144 Ų | 144 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | -137.8 | 160 | 169.6 | -107.8 | -92.8 | 0 | 0 | 0 | 110 | ||||
| 470 | T | 32.4 | Very low | 32.7 | Very low | 121 Ų | 121 | 141 Ų | 141 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | trans | 60 | 92.3 | 164.3 | 51.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 471 | I | 33.8 | Very low | 32.4 | Very low | 162 Ų | 162 | 142.6 Ų | 142.6 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | 14.4 | 128.1 | 114.5 | -58.7 | 173.5 | 0 | 0 | 0 | 115.4 | |||||
| 472 | P | 34 | Very low | 32.3 | Very low | 119 Ų | 119 | 143.5 Ų | 143.5 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | -154.1 | 159.2 | 71.2 | 40.4 | -19.5 | 0 | 0 | 0 | 121.7 | |||||
| 473 | W | 30.8 | Very low | 32.1 | Very low | 246 Ų | 246 | 143.1 Ų | 143.1 | 93% | 0.932 | 80% | 0.804 | S | S | * | * | trans | 1.7 | 129 | 148.9 | -120.7 | 60.2 | 0 | 0 | 0 | 122.6 | ||||
| 474 | L | 29.2 | Very low | 32 | Very low | 169 Ų | 169 | 143.8 Ų | 143.8 | 89% | 0.885 | 80% | 0.802 | S | S | * | * | trans | -170.8 | 153 | 135.4 | -151 | 65.1 | 0 | 0 | 0 | 114.2 | ||||
| 475 | G | 32.6 | Very low | 31.7 | Very low | 55 Ų | 55 | 146.5 Ų | 146.5 | 57% | 0.567 | 81% | 0.809 | S | S | * | * | trans | 105.4 | 103.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 476 | T | 36.2 | Very low | 31.5 | Very low | 138 Ų | 138 | 148.2 Ų | 148.2 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | 69.2 | 137.8 | 71.7 | 66.3 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 477 | N | 31.1 | Very low | 31.2 | Very low | 145 Ų | 145 | 148 Ų | 148 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | cis | -156.8 | -163.2 | 11.7 | -149.5 | -27.9 | 0 | 0 | 0 | 111.4 | ||||
| 478 | I | 36.2 | Very low | 31.3 | Very low | 146 Ų | 146 | 149 Ų | 149 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | trans | 87.7 | 123.8 | 175.9 | -55.4 | 168.4 | 0 | 0 | 0 | 112.7 | ||||
| 479 | E | 35.1 | Very low | 31.4 | Very low | 177 Ų | 177 | 152.3 Ų | 152.3 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | cis | -142.8 | 179.2 | -0.6 | -138.8 | 158.7 | -140.8 | 0 | 0 | 112.9 | ||||
| 480 | T | 31.3 | Very low | 31.3 | Very low | 113 Ų | 113 | 152.7 Ų | 152.7 | 69% | 0.693 | 80% | 0.797 | S | S | * | * | trans | -117.2 | 172 | -163.8 | 46.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 481 | N | 29.8 | Very low | 31.1 | Very low | 138 Ų | 138 | 154.8 Ų | 154.8 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | trans | 77.1 | 96.2 | 169.3 | -61.2 | -55.6 | 0 | 0 | 0 | 118.7 | ||||
| 482 | L | 30.2 | Very low | 31.1 | Very low | 171 Ų | 171 | 153 Ų | 153 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | -167.9 | 84 | 115 | -105.7 | 165 | 0 | 0 | 0 | 111.1 | |||||
| 483 | N | 27.5 | Very low | 31 | Very low | 166 Ų | 166 | 153.7 Ų | 153.7 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | trans | -157.3 | 66.9 | 167.9 | -113.5 | -30 | 0 | 0 | 0 | 111 | ||||
| 484 | Q | 30.4 | Very low | 31.1 | Very low | 180 Ų | 180 | 149.5 Ų | 149.5 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | trans | -138.1 | 82.5 | 167.8 | -75 | -164.2 | 13.8 | 0 | 0 | 110.4 | ||||
| 485 | L | 30.4 | Very low | 31.5 | Very low | 179 Ų | 179 | 146.3 Ų | 146.3 | 94% | 0.937 | 78% | 0.777 | S | S | * | * | trans | -160 | 87.2 | 151.9 | -114.8 | 161.2 | 0 | 0 | 0 | 109.3 | ||||
| 486 | T | 28.3 | Very low | 31.3 | Very low | 114 Ų | 114 | 152.8 Ų | 152.8 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | -93.1 | 137.8 | 179.9 | -65.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 487 | N | 26.6 | Very low | 31.1 | Very low | 141 Ų | 141 | 152.9 Ų | 152.9 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | trans | 46.4 | 114.1 | 162.6 | -60.5 | -14.1 | 0 | 0 | 0 | 118.8 | ||||
| 488 | H | 32.6 | Very low | 31 | Very low | 181 Ų | 181 | 152.3 Ų | 152.3 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -166.1 | 143.2 | 131 | -110.8 | -74.4 | 0 | 0 | 0 | 112.5 | ||||
| 489 | I | 31.8 | Very low | 30.8 | Very low | 138 Ų | 138 | 152.8 Ų | 152.8 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | trans | 67.5 | 102.7 | 158.8 | -57.5 | 159.7 | 0 | 0 | 0 | 115.1 | ||||
| 490 | Y | 27.6 | Very low | 30.6 | Very low | 208 Ų | 208 | 152.8 Ų | 152.8 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | 66.9 | 135.8 | 74.5 | -80.6 | -81.1 | 0 | 0 | 0 | 116.1 | |||||
| 491 | H | 28.7 | Very low | 30.4 | Very low | 164 Ų | 164 | 154.3 Ų | 154.3 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | 4.6 | 135.2 | 168.6 | -65.1 | -66.8 | 0 | 0 | 0 | 119.2 | ||||
| 492 | T | 33.8 | Very low | 30.4 | Very low | 126 Ų | 126 | 157 Ų | 157 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | -167.5 | 141.5 | 73.8 | 42.2 | 0 | 0 | 0 | 0 | 116 | |||||
| 493 | N | 30.7 | Very low | 30.4 | Very low | 133 Ų | 133 | 154.4 Ų | 154.4 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | 21.2 | 127.1 | 140.1 | -52.5 | -14.3 | 0 | 0 | 0 | 123.1 | ||||
| 494 | N | 33.5 | Very low | 30.5 | Very low | 157 Ų | 157 | 151 Ų | 151 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | 59.5 | 166.3 | 131.9 | -77.9 | -4.4 | 0 | 0 | 0 | 121.9 | ||||
| 495 | P | 36.3 | Very low | 30.5 | Very low | 102 Ų | 102 | 149 Ų | 149 | 66% | 0.662 | 78% | 0.781 | S | S | * | * | cis | -130.3 | 177.7 | -35.2 | 37.1 | -22.1 | 0 | 0 | 0 | 112.3 | ||||
| 496 | F | 29.2 | Very low | 30.5 | Very low | 191 Ų | 191 | 147.8 Ų | 147.8 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | -147 | 97.1 | 150.6 | -128.1 | -83.1 | 0 | 0 | 0 | 112.1 | ||||
| 497 | I | 32 | Very low | 30.6 | Very low | 141 Ų | 141 | 149.7 Ų | 149.7 | 72% | 0.723 | 78% | 0.776 | S | S | * | * | trans | -130.1 | 159.9 | 166.2 | -77.2 | -70.9 | 0 | 0 | 0 | 105.4 | ||||
| 498 | D | 29.3 | Very low | 30.8 | Very low | 133 Ų | 133 | 148.2 Ų | 148.2 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | 64.9 | 84.7 | 177.1 | -62.8 | -35.2 | 0 | 0 | 0 | 117.5 | ||||
| 499 | L | 31.7 | Very low | 30.8 | Very low | 156 Ų | 156 | 146.4 Ų | 146.4 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -146.3 | 66.2 | 146.5 | -162.6 | 80.4 | 0 | 0 | 0 | 112.6 | ||
| 500 | L | 31.1 | Very low | 30.7 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 93% | 0.927 | 76% | 0.756 | S | S | * | * | trans | -177 | 75.1 | 152.7 | -105.2 | 164.7 | 0 | 0 | 0 | 110.7 | ||||
| 501 | N | 26.6 | Very low | 31 | Very low | 145 Ų | 145 | 141.2 Ų | 141.2 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | trans | -147.9 | 76 | 173.7 | -161.4 | 2.8 | 0 | 0 | 0 | 112.1 | ||||
| 502 | Q | 30.6 | Very low | 31 | Very low | 194 Ų | 194 | 139.2 Ų | 139.2 | 91% | 0.907 | 74% | 0.743 | S | S | * | * | trans | -168.9 | 99.1 | 168.3 | -116.3 | 165.8 | 95.5 | 0 | 0 | 111.5 | ||||
| 503 | S | 30.4 | Very low | 30.8 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | 176.7 | 131.9 | 130.5 | -168 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 504 | S | 30.1 | Very low | 30.7 | Very low | 95 Ų | 95 | 140.2 Ų | 140.2 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | trans | 17 | 112.2 | 162.1 | -69.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 505 | N | 28.6 | Very low | 30.6 | Very low | 137 Ų | 137 | 140.1 Ų | 140.1 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | 44.1 | 131 | 106.5 | -60 | -28 | 0 | 0 | 0 | 120.4 | |||||
| 506 | N | 31.2 | Very low | 30.1 | Very low | 153 Ų | 153 | 139.6 Ų | 139.6 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | 73.2 | 151 | 154.3 | -57.4 | -21.8 | 0 | 0 | 0 | 118 | ||||
| 507 | H | 30.6 | Very low | 30 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | cis | -163.3 | 144.5 | -34.2 | -170.1 | 54.6 | 0 | 0 | 0 | 108.1 | ||||
| 508 | N | 30.4 | Very low | 30 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 59% | 0.594 | 75% | 0.746 | S | S | * | * | trans | 66.3 | 130.1 | 155.6 | -110.3 | -10 | 0 | 0 | 0 | 122.5 | ||||
| 509 | H | 33.1 | Very low | 30 | Very low | 142 Ų | 142 | 137.9 Ų | 137.9 | 66% | 0.657 | 76% | 0.755 | S | S | * | * | trans | 83.1 | 123 | 132.6 | -94.1 | 45.2 | 0 | 0 | 0 | 122.2 | ||||
| 510 | N | 30.4 | Very low | 29.8 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 62% | 0.62 | 75% | 0.753 | S | S | * | * | 50.1 | 127.9 | 120.6 | -61.8 | 11 | 0 | 0 | 0 | 118.6 | |||||
| 511 | N | 32.1 | Very low | 29.8 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 65% | 0.652 | 75% | 0.753 | S | S | * | * | cis | -167.3 | 148.8 | 38.1 | -110.8 | -21.8 | 0 | 0 | 0 | 113.4 | ||||
| 512 | N | 29.2 | Very low | 29.9 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 65% | 0.652 | 75% | 0.754 | S | S | * | * | trans | 47.5 | 133.2 | 135.8 | -58 | -18.7 | 0 | 0 | 0 | 123.7 | ||||
| 513 | N | 30.1 | Very low | 30 | Very low | 148 Ų | 148 | 134.3 Ų | 134.3 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | trans | 87 | 158 | 139.1 | -68.1 | -11.3 | 0 | 0 | 0 | 121.2 | ||||
| 514 | V | 28.8 | Very low | 30 | Very low | 132 Ų | 132 | 134.2 Ų | 134.2 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | trans | 94.2 | 130.4 | 161.7 | -171.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 515 | L | 31 | Very low | 29.8 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | trans | 73.6 | 87 | 170.9 | -72.1 | 159.8 | 0 | 0 | 0 | 119.4 | ||||
| 516 | S | 26.8 | Very low | 30 | Very low | 90 Ų | 90 | 137.9 Ų | 137.9 | 63% | 0.629 | 75% | 0.753 | S | S | * | * | trans | -38.7 | 167.2 | 140.1 | 51.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 517 | N | 26.9 | Very low | 30 | Very low | 145 Ų | 145 | 135.8 Ų | 135.8 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | trans | 93.7 | 90.8 | 164.7 | -54.8 | -16.5 | 0 | 0 | 0 | 116.8 | ||||
| 518 | I | 31.5 | Very low | 30 | Very low | 156 Ų | 156 | 139 Ų | 139 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | -165 | 133.9 | 118.4 | -93.6 | 148.7 | 0 | 0 | 0 | 107 | L520 | I518-L520 HydrophobicContact CG2-CD1 4.39Å; I518-L520 HydrophobicContact CG2-CG 4.36Å | |||
| 519 | S | 28 | Very low | 30.3 | Very low | 128 Ų | 128 | 139.5 Ų | 139.5 | 90% | 0.895 | 77% | 0.767 | S | S | * | * | trans | -101.4 | 111 | 176.2 | -74.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 520 | L | 28.3 | Very low | 30.2 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | trans | -124.6 | 117.9 | 163.2 | -79.6 | 165.4 | 0 | 0 | 0 | 107.1 | I518 | I518-L520 HydrophobicContact CG2-CD1 4.39Å; I518-L520 HydrophobicContact CG2-CG 4.36Å | ||
| 521 | N | 31.1 | Very low | 30.2 | Very low | 174 Ų | 174 | 146.2 Ų | 146.2 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | trans | -163.9 | 89.4 | 166.3 | -99.7 | -38.9 | 0 | 0 | 0 | 111.2 | ||||
| 522 | T | 28 | Very low | 30.1 | Very low | 130 Ų | 130 | 147.3 Ų | 147.3 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | trans | -98.5 | 165.3 | 157.4 | -60.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 523 | I | 32.6 | Very low | 30.2 | Very low | 144 Ų | 144 | 148.2 Ų | 148.2 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | trans | 85.5 | 96.3 | 178.9 | -48 | 165.5 | 0 | 0 | 0 | 114.3 | ||||
| 524 | P | 32.2 | Very low | 30.4 | Very low | 116 Ų | 116 | 147.4 Ų | 147.4 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -82 | 118.1 | 159.7 | 32 | -29.8 | 0 | 0 | 0 | 110.7 | ||||
| 525 | L | 26.1 | Very low | 30.6 | Very low | 165 Ų | 165 | 148.2 Ų | 148.2 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -68.9 | 128.1 | 165.6 | -80.9 | 159.9 | 0 | 0 | 0 | 110.1 | ||||
| 526 | I | 31.9 | Very low | 30.5 | Very low | 143 Ų | 143 | 148.6 Ų | 148.6 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | trans | -124.9 | 109.1 | 167.1 | -62.3 | -178.1 | 0 | 0 | 0 | 108.6 | ||||
| 527 | S | 30.6 | Very low | 30.8 | Very low | 109 Ų | 109 | 150.1 Ų | 150.1 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 142 | 179.6 | -47 | 0 | 0 | 0 | 0 | 112 | ||
| 528 | Y | 31 | Very low | 30.9 | Very low | 222 Ų | 222 | 150.8 Ų | 150.8 | 87% | 0.871 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -95 | 134.4 | 166.9 | -70.6 | -93.5 | 0 | 0 | 0 | 110.2 | ||
| 529 | P | 37.3 | Very low | 30.7 | Very low | 121 Ų | 121 | 150.8 Ų | 150.8 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 124.2 | 162.3 | 32.4 | -29 | 0 | 0 | 0 | 110 | ||
| 530 | E | 30 | Very low | 30.9 | Very low | 181 Ų | 181 | 148.5 Ų | 148.5 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 151.7 | 171.9 | -61.6 | -176.5 | 123.4 | 0 | 0 | 111.4 | ||
| 531 | Y | 30.7 | Very low | 31 | Very low | 219 Ų | 219 | 149.3 Ų | 149.3 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | -130.2 | 74 | 168.2 | -123.6 | -87.2 | 0 | 0 | 0 | 109.8 | ||||
| 532 | N | 31.2 | Very low | 30.9 | Very low | 144 Ų | 144 | 147.7 Ų | 147.7 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | -76.1 | 121.8 | 169.5 | -173.9 | 4.6 | 0 | 0 | 0 | 108.8 | ||||
| 533 | N | 31.2 | Very low | 31 | Very low | 141 Ų | 141 | 148.8 Ų | 148.8 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | trans | -142.4 | 99.2 | 179.8 | -169.4 | 17.2 | 0 | 0 | 0 | 110 | ||||
| 534 | N | 32.8 | Very low | 30.8 | Very low | 132 Ų | 132 | 148.7 Ų | 148.7 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -147.4 | 156.1 | 178.3 | -112.3 | -26.2 | 0 | 0 | 0 | 110.5 | ||||
| 535 | N | 33.9 | Very low | 30.8 | Very low | 148 Ų | 148 | 150.9 Ų | 150.9 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | 80.7 | 82.3 | 172 | -51.9 | -17.1 | 0 | 0 | 0 | 117.1 | T537 | N535-T537 PolarHBondContact O-N 3.32Š| ||
| 536 | N | 28.7 | Very low | 31.1 | Very low | 164 Ų | 164 | 150 Ų | 150 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | trans | -59.4 | 119.2 | 139.7 | -75.2 | -37.3 | 0 | 0 | 0 | 109.2 | ||||
| 537 | T | 32.4 | Very low | 31 | Very low | 121 Ų | 121 | 150.1 Ų | 150.1 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | -171.1 | 133.3 | 125.7 | 24 | 0 | 0 | 0 | 0 | 113.4 | N535 | N535-T537 PolarHBondContact O-N 3.32Š| |||
| 538 | Q | 29.2 | Very low | 31.2 | Very low | 159 Ų | 159 | 152.7 Ų | 152.7 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | trans | 61.6 | 118.5 | 144.8 | -67.8 | -178.5 | -53.6 | 0 | 0 | 122.5 | ||||
| 539 | I | 28.6 | Very low | 31.1 | Very low | 156 Ų | 156 | 148.5 Ų | 148.5 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | 57.2 | 114.2 | 124.6 | -52.4 | 164 | 0 | 0 | 0 | 117.7 | |||||
| 540 | G | 30.5 | Very low | 30.9 | Very low | 80 Ų | 80 | 149.3 Ų | 149.3 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | trans | -176.5 | 73.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 541 | L | 30.4 | Very low | 31 | Very low | 167 Ų | 167 | 148 Ų | 148 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | trans | -33.9 | 129.3 | 176.4 | -78.9 | 158.9 | 0 | 0 | 0 | 118.7 | ||||
| 542 | H | 30.4 | Very low | 31.1 | Very low | 139 Ų | 139 | 142.3 Ų | 142.3 | 64% | 0.644 | 75% | 0.745 | S | S | * | * | 81.7 | 98.9 | 120.8 | -158.7 | -100.2 | 0 | 0 | 0 | 121.8 | |||||
| 543 | K | 28.4 | Very low | 31.3 | Very low | 153 Ų | 153 | 141.6 Ų | 141.6 | 67% | 0.665 | 74% | 0.74 | S | S | * | * | trans | 65.3 | 134.3 | 134.2 | -74.4 | -166.1 | -165.4 | 150.6 | 0 | 123.2 | ||||
| 544 | Q | 29.7 | Very low | 31.5 | Very low | 142 Ų | 142 | 141.9 Ų | 141.9 | 66% | 0.664 | 74% | 0.737 | S | S | * | * | trans | 89.6 | 133.2 | 130.7 | -82.7 | 174.8 | -59.3 | 0 | 0 | 121.2 | ||||
| 545 | Q | 30.8 | Very low | 31.6 | Very low | 162 Ų | 162 | 141.3 Ų | 141.3 | 76% | 0.757 | 73% | 0.734 | S | S | * | * | trans | 71 | 148.2 | 159.2 | -64.3 | 157.1 | 7.1 | 0 | 0 | 115.1 | ||||
| 546 | N | 32.5 | Very low | 31.8 | Very low | 146 Ų | 146 | 139.6 Ų | 139.6 | 78% | 0.781 | 73% | 0.725 | S | S | * | * | cis | -142.4 | 166.5 | 10 | -143.4 | -19.5 | 0 | 0 | 0 | 112.6 | ||||
| 547 | L | 30.8 | Very low | 32.2 | Very low | 146 Ų | 146 | 137.4 Ų | 137.4 | 76% | 0.764 | 71% | 0.713 | S | S | * | * | trans | -90.5 | 150.5 | 171.6 | -68.6 | 98.4 | 0 | 0 | 0 | 111.7 | ||||
| 548 | H | 34.3 | Very low | 32.4 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 76% | 0.759 | 71% | 0.709 | S | S | * | * | -162.5 | 138.7 | 124.1 | -101.9 | 59.9 | 0 | 0 | 0 | 108.2 | |||||
| 549 | L | 29.9 | Very low | 32.9 | Very low | 134 Ų | 134 | 135.8 Ų | 135.8 | 70% | 0.702 | 71% | 0.705 | S | S | * | * | 62.8 | 127 | 70.9 | -113.3 | 72.1 | 0 | 0 | 0 | 111 | |||||
| 550 | I | 32.8 | Very low | 33.2 | Very low | 137 Ų | 137 | 134.4 Ų | 134.4 | 70% | 0.703 | 70% | 0.699 | S | S | * | * | cis | -155.8 | 130.1 | 41.2 | -101.2 | 171.1 | 0 | 0 | 0 | 108.8 | ||||
| 551 | H | 32.1 | Very low | 33.4 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 71% | 0.713 | 69% | 0.693 | S | S | * | * | 75.7 | 137.4 | 99.4 | -141.4 | -111 | 0 | 0 | 0 | 114.7 | |||||
| 552 | T | 33.5 | Very low | 33.5 | Very low | 99 Ų | 99 | 134.5 Ų | 134.5 | 61% | 0.607 | 68% | 0.684 | S | S | * | * | 175 | 117.9 | 85.7 | -73.6 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 553 | L | 35.1 | Very low | 33.6 | Very low | 129 Ų | 129 | 134.6 Ų | 134.6 | 68% | 0.675 | 69% | 0.69 | S | S | * | * | trans | 54 | 157.9 | 146.4 | -42.8 | 174.6 | 0 | 0 | 0 | 120 | ||||
| 554 | H | 35.5 | Very low | 33.8 | Very low | 147 Ų | 147 | 134 Ų | 134 | 68% | 0.681 | 69% | 0.692 | S | S | * | * | cis | -152.4 | 167.1 | -15.9 | -120 | 34.9 | 0 | 0 | 0 | 105.8 | ||||
| 555 | N | 34.5 | Very low | 33.8 | Very low | 120 Ų | 120 | 132 Ų | 132 | 64% | 0.642 | 69% | 0.694 | S | S | * | * | -172.4 | 137.8 | 52.6 | -146.9 | 5.4 | 0 | 0 | 0 | 110.6 | |||||
| 556 | N | 36.9 | Very low | 33.8 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 60% | 0.604 | 70% | 0.695 | S | S | * | * | trans | 46.9 | 141.8 | 142.3 | -63.8 | 1.5 | 0 | 0 | 0 | 122.2 | ||||
| 557 | N | 37.8 | Very low | 33.9 | Very low | 118 Ų | 118 | 127.2 Ų | 127.2 | 63% | 0.631 | 69% | 0.69 | S | S | * | * | cis | -162.7 | 156 | 8.3 | -119.9 | -1 | 0 | 0 | 0 | 113.5 | ||||
| 558 | N | 36.8 | Very low | 34.1 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 65% | 0.652 | 69% | 0.687 | S | S | * | * | trans | 66.4 | 137.3 | 150.6 | -60.7 | -0.8 | 0 | 0 | 0 | 118.7 | ||||
| 559 | N | 39.2 | Very low | 34.1 | Very low | 124 Ų | 124 | 124.8 Ų | 124.8 | 66% | 0.663 | 68% | 0.683 | S | S | * | * | cis | -155.8 | 152.4 | 5.1 | -101.9 | -13.5 | 0 | 0 | 0 | 112.9 | ||||
| 560 | N | 35.5 | Very low | 34.5 | Very low | 127 Ų | 127 | 123.9 Ų | 123.9 | 68% | 0.679 | 68% | 0.679 | S | S | * | * | trans | 59.8 | 113.9 | 151.8 | -65.3 | 4.3 | 0 | 0 | 0 | 120.5 | ||||
| 561 | I | 34.2 | Very low | 34.7 | Very low | 137 Ų | 137 | 125.1 Ų | 125.1 | 70% | 0.703 | 68% | 0.682 | S | S | * | * | 79.7 | 86.9 | 72.1 | -71.7 | 169.1 | 0 | 0 | 0 | 111.1 | |||||
| 562 | T | 33.1 | Very low | 34.9 | Very low | 111 Ų | 111 | 121.7 Ų | 121.7 | 68% | 0.681 | 68% | 0.675 | S | S | * | * | 72 | 126.3 | 80.3 | 61.4 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 563 | N | 31.6 | Very low | 35 | Very low | 141 Ų | 141 | 124.5 Ų | 124.5 | 75% | 0.754 | 69% | 0.686 | S | S | * | * | trans | 149.5 | 153.4 | 141.7 | -77.7 | -12 | 0 | 0 | 0 | 111.5 | ||||
| 564 | I | 33.5 | Very low | 35 | Very low | 140 Ų | 140 | 122.8 Ų | 122.8 | 72% | 0.718 | 69% | 0.685 | S | S | * | * | cis | -157.7 | 156.7 | -21.9 | -111.3 | 164.9 | 0 | 0 | 0 | 107.4 | ||||
| 565 | S | 29.7 | Very low | 35.2 | Very low | 101 Ų | 101 | 123.5 Ų | 123.5 | 71% | 0.706 | 69% | 0.691 | S | S | * | * | trans | -22.5 | 149.5 | 169 | -40.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 566 | S | 30.6 | Very low | 35.1 | Very low | 110 Ų | 110 | 124.4 Ų | 124.4 | 77% | 0.769 | 70% | 0.696 | S | S | * | * | 167.1 | 153.1 | 103.4 | -71.3 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 567 | S | 34.9 | Very low | 35.1 | Very low | 97 Ų | 97 | 123 Ų | 123 | 68% | 0.678 | 69% | 0.694 | S | S | * | * | trans | 75.9 | 105.4 | 144 | -73.2 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 568 | N | 33.9 | Very low | 35.1 | Very low | 132 Ų | 132 | 123.1 Ų | 123.1 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | 87.6 | 130.9 | 109.3 | -70.6 | -0.3 | 0 | 0 | 0 | 124.1 | |||||
| 569 | N | 35.9 | Very low | 35 | Very low | 128 Ų | 128 | 126.6 Ų | 126.6 | 68% | 0.684 | 71% | 0.709 | S | S | * | * | trans | 74.9 | 146.4 | 134.1 | -67.5 | -0.7 | 0 | 0 | 0 | 120 | ||||
| 570 | N | 37 | Very low | 35 | Very low | 115 Ų | 115 | 125.6 Ų | 125.6 | 62% | 0.615 | 71% | 0.709 | S | S | * | * | cis | -167.4 | 155.2 | -21.5 | -123.9 | -29.2 | 0 | 0 | 0 | 111.3 | ||||
| 571 | H | 38.1 | Very low | 35 | Very low | 163 Ų | 163 | 124.1 Ų | 124.1 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | trans | 66.1 | 158.7 | 148.6 | -77.9 | 41 | 0 | 0 | 0 | 119 | ||||
| 572 | S | 36.2 | Very low | 35 | Very low | 82 Ų | 82 | 125.5 Ų | 125.5 | 57% | 0.573 | 72% | 0.717 | S | S | * | * | cis | -168 | 146.1 | -18.4 | 48.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 573 | N | 34.6 | Very low | 35.1 | Very low | 158 Ų | 158 | 124.8 Ų | 124.8 | 85% | 0.845 | 71% | 0.714 | S | S | * | * | trans | 58.8 | 167.4 | 150 | -54.1 | -15.1 | 0 | 0 | 0 | 118.7 | ||||
| 574 | S | 35.3 | Very low | 35 | Very low | 92 Ų | 92 | 125.4 Ų | 125.4 | 64% | 0.643 | 72% | 0.716 | S | S | * | * | cis | -155.3 | 150.8 | 7.2 | -153.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 575 | M | 39.4 | Very low | 35 | Very low | 162 Ų | 162 | 125 Ų | 125 | 80% | 0.798 | 72% | 0.719 | S | S | * | * | trans | 36.4 | 151 | 141.9 | -66.5 | -178.2 | -171 | 0 | 0 | 121.8 | ||||
| 576 | N | 34.2 | Very low | 34.8 | Very low | 140 Ų | 140 | 127.1 Ų | 127.1 | 75% | 0.749 | 72% | 0.723 | S | S | * | * | cis | -167.6 | 179.4 | 7.8 | -115.5 | -14.4 | 0 | 0 | 0 | 108.3 | ||||
| 577 | S | 36.2 | Very low | 35.1 | Very low | 83 Ų | 83 | 127.1 Ų | 127.1 | 58% | 0.58 | 72% | 0.72 | S | S | * | * | cis | -166.8 | -174.4 | -11 | 53.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 578 | T | 37.3 | Very low | 34.8 | Very low | 120 Ų | 120 | 130.1 Ų | 130.1 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | trans | 49 | 112.4 | 151.6 | 44.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 579 | K | 35.5 | Very low | 34.5 | Very low | 196 Ų | 196 | 131.1 Ų | 131.1 | 85% | 0.852 | 73% | 0.73 | S | S | * | * | cis | 70.8 | 150.9 | 49.9 | -78.7 | -161 | 167.2 | -174.9 | 0 | 116.4 | ||||
| 580 | P | 38 | Very low | 34.4 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 67% | 0.669 | 74% | 0.735 | S | S | * | * | cis | -146.8 | -158 | -36.5 | 42.6 | -22.5 | 0 | 0 | 0 | 114.3 | ||||
| 581 | S | 35.8 | Very low | 34 | Very low | 96 Ų | 96 | 135.1 Ų | 135.1 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | trans | 73.6 | 130.7 | 163.6 | 21 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 582 | L | 34.7 | Very low | 33.9 | Very low | 166 Ų | 166 | 131.4 Ų | 131.4 | 87% | 0.869 | 73% | 0.734 | S | S | * | * | cis | 88.4 | 149 | 41.4 | -69.7 | 167 | 0 | 0 | 0 | 113.7 | ||||
| 583 | P | 35.6 | Very low | 33.7 | Very low | 96 Ų | 96 | 137 Ų | 137 | 62% | 0.623 | 75% | 0.748 | S | S | * | * | -144.3 | 176.7 | -50.1 | 42 | -24.5 | 0 | 0 | 0 | 115.3 | |||||
| 584 | I | 29.2 | Very low | 33.5 | Very low | 153 Ų | 153 | 134.7 Ų | 134.7 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | trans | 54.5 | 128.2 | 148.1 | -64.4 | 155.5 | 0 | 0 | 0 | 120.9 | ||||
| 585 | V | 32.5 | Very low | 33.4 | Very low | 132 Ų | 132 | 135.4 Ų | 135.4 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | 168.8 | 141.8 | 127.7 | 157.7 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 586 | D | 26.7 | Very low | 33 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | trans | -86.3 | -154.2 | 178.1 | -60.8 | -82.6 | 0 | 0 | 0 | 113.1 | ||||
| 587 | P | 35.7 | Very low | 33 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 71% | 0.714 | 75% | 0.746 | S | S | * | * | -118.4 | -169.7 | -92.5 | 37.5 | -21.8 | 0 | 0 | 0 | 113.6 | |||||
| 588 | L | 28.6 | Very low | 32.6 | Very low | 160 Ų | 160 | 137 Ų | 137 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | trans | 128.2 | 152.8 | 150.1 | -66.7 | 173.3 | 0 | 0 | 0 | 116.2 | ||||
| 589 | M | 28.7 | Very low | 32.3 | Very low | 153 Ų | 153 | 139.6 Ų | 139.6 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | 82.5 | 155.6 | 161 | -52 | -157.7 | 74.2 | 0 | 0 | 121.1 | ||||
| 590 | F | 32.9 | Very low | 32 | Very low | 182 Ų | 182 | 138 Ų | 138 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | trans | 71.7 | 68.5 | 165.8 | -64.7 | -67.7 | 0 | 0 | 0 | 121.6 | ||||
| 591 | N | 29.1 | Very low | 31.6 | Very low | 146 Ų | 146 | 137.9 Ų | 137.9 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | -40.8 | 173.9 | 129.8 | -150 | 33.4 | 0 | 0 | 0 | 113.6 | |||||
| 592 | P | 36.4 | Very low | 31.3 | Very low | 85 Ų | 85 | 139.6 Ų | 139.6 | 55% | 0.552 | 76% | 0.76 | S | S | * | * | -135.1 | 163.6 | -77.8 | 41.8 | -26.4 | 0 | 0 | 0 | 114.5 | |||||
| 593 | F | 31.7 | Very low | 31 | Very low | 198 Ų | 198 | 137.5 Ų | 137.5 | 87% | 0.868 | 75% | 0.754 | S | S | * | * | trans | -159.9 | 142.3 | 161.9 | -81.8 | -70.8 | 0 | 0 | 0 | 109.5 | ||||
| 594 | T | 29.4 | Very low | 30.7 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 68% | 0.681 | 77% | 0.765 | S | S | * | * | cis | 170.5 | 172.2 | -15.9 | 22.8 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 595 | S | 34.1 | Very low | 30.7 | Very low | 107 Ų | 107 | 144.6 Ų | 144.6 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | 80.5 | 140.9 | 159 | 86.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 596 | N | 30.1 | Very low | 30.6 | Very low | 138 Ų | 138 | 145.7 Ų | 145.7 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | cis | -164 | -179.1 | -24 | -130 | -20.6 | 0 | 0 | 0 | 111.8 | ||||
| 597 | L | 34.1 | Very low | 30.8 | Very low | 160 Ų | 160 | 146.4 Ų | 146.4 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | trans | 70.1 | 108.4 | 179.8 | -73.8 | 63.3 | 0 | 0 | 0 | 113.8 | ||||
| 598 | D | 29.2 | Very low | 30.6 | Very low | 121 Ų | 121 | 148.6 Ų | 148.6 | 65% | 0.647 | 77% | 0.774 | S | S | * | * | cis | 79.1 | 108.3 | 8.4 | -162.2 | 24.1 | 0 | 0 | 0 | 118.4 | H600 | D598-H600 IonicContact OD1-CD2 3.73Š| ||
| 599 | I | 30 | Very low | 30.7 | Very low | 174 Ų | 174 | 147 Ų | 147 | 89% | 0.892 | 77% | 0.767 | S | S | * | * | trans | -146 | 134.2 | 150.2 | -62.9 | -172 | 0 | 0 | 0 | 107.7 | ||||
| 600 | H | 29.3 | Very low | 30.8 | Very low | 163 Ų | 163 | 146.9 Ų | 146.9 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | -116.6 | -175.9 | -168.7 | -128.4 | -97.6 | 0 | 0 | 0 | 113.9 | D598 | D598-H600 IonicContact OD1-CD2 3.73Š| ||
| 601 | S | 29.7 | Very low | 30.6 | Very low | 99 Ų | 99 | 143.5 Ų | 143.5 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | trans | 80.4 | 151.6 | 171.1 | 83.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 602 | V | 29.5 | Very low | 30.7 | Very low | 133 Ų | 133 | 141.9 Ų | 141.9 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | cis | -144.3 | 158.5 | 11.9 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 603 | T | 29 | Very low | 30.4 | Very low | 122 Ų | 122 | 145.7 Ų | 145.7 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | cis | -169 | 142 | -42.6 | -75.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 604 | N | 28.2 | Very low | 30.2 | Very low | 159 Ų | 159 | 140.4 Ų | 140.4 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | trans | -67.8 | 148.6 | 177.8 | -86.4 | -44.4 | 0 | 0 | 0 | 114.4 | ||||
| 605 | R | 30.5 | Very low | 30.2 | Very low | 239 Ų | 239 | 142.3 Ų | 142.3 | 90% | 0.902 | 76% | 0.758 | S | S | * | * | trans | -157 | 154.1 | 155.3 | -118.6 | 176.4 | -170 | -95.3 | -1.2 | 113.2 | ||||
| 606 | L | 30.3 | Very low | 30 | Very low | 154 Ų | 154 | 144.5 Ų | 144.5 | 81% | 0.806 | 76% | 0.76 | S | S | * | * | trans | 68.7 | 68.7 | 175.2 | -71.5 | 160.1 | 0 | 0 | 0 | 117.1 | ||||
| 607 | L | 31.1 | Very low | 29.9 | Very low | 161 Ų | 161 | 141.6 Ų | 141.6 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | -80.4 | 135.5 | 137.5 | 172.3 | 73.8 | 0 | 0 | 0 | 108.4 | ||||
| 608 | Q | 30.8 | Very low | 29.7 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | trans | 149.7 | 137.9 | 165.5 | -88.9 | 159.3 | -22.9 | 0 | 0 | 107.6 | ||||
| 609 | D | 29.9 | Very low | 29.9 | Very low | 126 Ų | 126 | 143.3 Ų | 143.3 | 67% | 0.674 | 76% | 0.759 | S | S | * | * | cis | -136.5 | 133.3 | -0.3 | -94.3 | -45.6 | 0 | 0 | 0 | 109.2 | ||||
| 610 | M | 30.8 | Very low | 30.2 | Very low | 152 Ų | 152 | 140.3 Ų | 140.3 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | 61.2 | 114.7 | 97.8 | -68.1 | -133.8 | -60.4 | 0 | 0 | 117.5 | |||||
| 611 | T | 30.4 | Very low | 30.2 | Very low | 110 Ų | 110 | 140.1 Ų | 140.1 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | trans | 73.7 | 132.6 | 136.2 | 55.7 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 612 | T | 30.2 | Very low | 30.4 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 69% | 0.687 | 75% | 0.754 | S | S | * | * | trans | 82.6 | 136 | 135.8 | 44.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 613 | H | 31.3 | Very low | 30.6 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | 59.7 | 87.8 | 142.3 | -67.2 | -56.5 | 0 | 0 | 0 | 120.8 | ||||
| 614 | S | 27.4 | Very low | 30.9 | Very low | 86 Ų | 86 | 138.2 Ų | 138.2 | 60% | 0.601 | 75% | 0.752 | S | S | * | * | 56.7 | 139.2 | 108 | 68 | 0 | 0 | 0 | 0 | 122 | |||||
| 615 | I | 27.9 | Very low | 31.2 | Very low | 152 Ų | 152 | 138 Ų | 138 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | trans | 82.9 | 142.1 | 149 | -69.2 | 159.2 | 0 | 0 | 0 | 117.2 | ||||
| 616 | I | 30.7 | Very low | 31.6 | Very low | 152 Ų | 152 | 131.8 Ų | 131.8 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | trans | 66.9 | 91.7 | 171.2 | -69.8 | 158.1 | 0 | 0 | 0 | 117.4 | ||||
| 617 | A | 28.3 | Very low | 32 | Very low | 78 Ų | 78 | 131.1 Ų | 131.1 | 65% | 0.645 | 74% | 0.743 | S | S | * | * | 35.9 | 147 | 116.6 | 0 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 618 | N | 29 | Very low | 32.3 | Very low | 145 Ų | 145 | 129 Ų | 129 | 78% | 0.775 | 74% | 0.739 | S | S | * | * | trans | 86.4 | 121.7 | 146.7 | -68.2 | -11 | 0 | 0 | 0 | 121.6 | ||||
| 619 | H | 34.6 | Very low | 32.4 | Very low | 172 Ų | 172 | 128.1 Ų | 128.1 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | 95.1 | 135.1 | 129.8 | -102.8 | -65.6 | 0 | 0 | 0 | 123 | |||||
| 620 | V | 35.3 | Very low | 32.7 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 67% | 0.667 | 76% | 0.756 | S | S | * | * | trans | 74.5 | 100.7 | 154.3 | -173.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 621 | N | 30.3 | Very low | 33.1 | Very low | 159 Ų | 159 | 129.4 Ų | 129.4 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | 39.5 | 133.7 | 128.1 | -51.1 | -9.5 | 0 | 0 | 0 | 122.6 | |||||
| 622 | G | 32.9 | Very low | 33.6 | Very low | 68 Ų | 68 | 129.8 Ų | 129.8 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | 110.9 | 143.4 | 150.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 623 | T | 33.5 | Very low | 34.1 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | cis | -160.1 | 145.9 | -8.8 | -18.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 624 | T | 35.2 | Very low | 34.5 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 73% | 0.73 | 78% | 0.776 | S | S | * | * | trans | 22.5 | 142.7 | 146.9 | 55.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 625 | L | 34.2 | Very low | 35.2 | Very low | 154 Ų | 154 | 131.4 Ų | 131.4 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | cis | -162.6 | 153.1 | 23.5 | -160 | 64 | 0 | 0 | 0 | 112.3 | ||||
| 626 | P | 39.8 | Very low | 36.1 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | trans | -112.4 | 173.8 | 175.3 | 41.7 | -33.4 | 0 | 0 | 0 | 114.5 | ||||
| 627 | T | 37.6 | Very low | 36.6 | Very low | 139 Ų | 139 | 126.2 Ų | 126.2 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | -167.1 | 160.1 | 165.4 | -4.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 628 | P | 37.6 | Very low | 37.4 | Very low | 118 Ų | 118 | 126.1 Ų | 126.1 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | -128.5 | 169.6 | -84.3 | 42 | -29.2 | 0 | 0 | 0 | 115.4 | |||||
| 629 | T | 34 | Very low | 38.4 | Very low | 136 Ų | 136 | 123.9 Ų | 123.9 | 83% | 0.834 | 76% | 0.762 | S | S | * | * | trans | -95.4 | 157.2 | 165.9 | 32.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 630 | L | 35.9 | Very low | 39.3 | Very low | 176 Ų | 176 | 121.9 Ų | 121.9 | 92% | 0.921 | 76% | 0.764 | S | S | * | * | trans | -107 | 136.9 | 174.6 | -83.5 | 163.5 | 0 | 0 | 0 | 111.2 | ||||
| 631 | T | 38.9 | Very low | 39.7 | Very low | 129 Ų | 129 | 122.4 Ų | 122.4 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | trans | -135.4 | 145.1 | 173.9 | 44.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 632 | P | 42.1 | Very low | 40.2 | Very low | 117 Ų | 117 | 120.6 Ų | 120.6 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | trans | -77.7 | 161.5 | 174.9 | 32.5 | -34.6 | 0 | 0 | 0 | 112.4 | ||||
| 633 | P | 40.6 | Very low | 40.3 | Very low | 134 Ų | 134 | 122.5 Ų | 122.5 | 87% | 0.87 | 77% | 0.768 | S | S | * | * | trans | -80.3 | 153.8 | -165.7 | 31.9 | -36.9 | 0 | 0 | 0 | 114.9 | ||||
| 634 | S | 39 | Very low | 40.5 | Very low | 124 Ų | 124 | 121.2 Ų | 121.2 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | trans | -104.1 | 142.5 | -179.5 | 45.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 635 | L | 41.9 | Very low | 40.4 | Very low | 140 Ų | 140 | 119.5 Ų | 119.5 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 149 | 175.8 | -80.5 | 163.7 | 0 | 0 | 0 | 112.1 | R690 | L635-R690 PolarHBondContact O-NH2 2.85Š|
| 636 | P | 46.2 | Very low | 40.3 | Very low | 109 Ų | 109 | 118.3 Ų | 118.3 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 160.8 | -169.2 | 26 | -35.6 | 0 | 0 | 0 | 114.4 | R690 | P636-R690 PolarHBondContact O-NH2 2.91Š|
| 637 | A | 43 | Very low | 40 | Very low | 87 Ų | 87 | 119.6 Ų | 119.6 | 72% | 0.719 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 149.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 638 | P | 44.1 | Very low | 39.7 | Very low | 76 Ų | 76 | 119.7 Ų | 119.7 | 49% | 0.494 | 78% | 0.776 | S | S | . | * | P | Polyproline II helix | trans | -70.3 | 159.4 | 170.7 | 31.3 | -35.3 | 0 | 0 | 0 | 111.9 | ||
| 639 | P | 51 | Low | 39.1 | Very low | 98 Ų | 98 | 119.7 Ų | 119.7 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 157.2 | -178.2 | 30.6 | -36.1 | 0 | 0 | 0 | 113.2 | ||
| 640 | P | 52.1 | Low | 38.9 | Very low | 130 Ų | 130 | 119.9 Ų | 119.9 | 84% | 0.844 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -73 | 140.5 | 179.2 | -13 | 29 | 0 | 0 | 0 | 112.6 | ||
| 641 | L | 43 | Very low | 38.4 | Very low | 120 Ų | 120 | 118.3 Ų | 118.3 | 63% | 0.628 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 157 | 167.5 | -92.1 | 77.3 | 0 | 0 | 0 | 111.7 | A694 | L641-A694 HydrophobicContact CD1-CB 3.99Å; L641-A694 HydrophobicContact CD2-CB 4.37Å |
| 642 | P | 41.3 | Very low | 38 | Very low | 122 Ų | 122 | 119.9 Ų | 119.9 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 143.8 | 175.8 | -17.7 | 31.7 | 0 | 0 | 0 | 112.6 | A644 | P642-A644 PolarHBondContact O-N 3.39Š|
| 643 | A | 36.4 | Very low | 37.2 | Very low | 107 Ų | 107 | 118.3 Ų | 118.3 | 88% | 0.884 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 117.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 644 | A | 35.9 | Very low | 36.7 | Very low | 101 Ų | 101 | 118.3 Ų | 118.3 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 131.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | P642 | P642-A644 PolarHBondContact O-N 3.39Š|
| 645 | A | 34.3 | Very low | 36.2 | Very low | 82 Ų | 82 | 119.2 Ų | 119.2 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 150.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 646 | P | 31.7 | Very low | 35.5 | Very low | 129 Ų | 129 | 115.5 Ų | 115.5 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 130.7 | 177 | 30.9 | -34 | 0 | 0 | 0 | 111.5 | ||
| 647 | T | 34.2 | Very low | 34.6 | Very low | 137 Ų | 137 | 116.7 Ų | 116.7 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | -128.1 | 119.7 | 172.3 | 53.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 648 | T | 29.8 | Very low | 33.9 | Very low | 141 Ų | 141 | 119.9 Ų | 119.9 | 87% | 0.865 | 77% | 0.77 | S | S | * | * | trans | -80.1 | 150.8 | -174.5 | -41.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 649 | T | 25.9 | Very low | 33.1 | Very low | 118 Ų | 118 | 123 Ų | 123 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | trans | -68.4 | 134.9 | 177.4 | -49.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 650 | T | 28.7 | Very low | 32 | Very low | 140 Ų | 140 | 126.5 Ų | 126.5 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | trans | -153.2 | 157.9 | 147.3 | -2.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 651 | N | 26.4 | Very low | 31 | Very low | 143 Ų | 143 | 129 Ų | 129 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | trans | -109.9 | -171.3 | -170 | -75.4 | -35 | 0 | 0 | 0 | 113.5 | ||||
| 652 | I | 29.7 | Very low | 30.2 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | trans | 96.1 | 107.8 | 169.6 | -55.9 | 156.4 | 0 | 0 | 0 | 111.8 | ||||
| 653 | A | 26.5 | Very low | 29.3 | Very low | 83 Ų | 83 | 135.5 Ų | 135.5 | 69% | 0.686 | 80% | 0.802 | S | S | * | * | 71.6 | 139.8 | 53.4 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 654 | T | 29.3 | Very low | 28.9 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | cis | -157.1 | 179.4 | 0.5 | -0.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 655 | T | 28.2 | Very low | 28.4 | Very low | 143 Ų | 143 | 138 Ų | 138 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | cis | -129.1 | -125 | 15.5 | 60.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 656 | G | 28 | Very low | 27.9 | Very low | 62 Ų | 62 | 140.8 Ų | 140.8 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | trans | 138.2 | 3.3 | 159.6 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 657 | T | 27.2 | Very low | 27.9 | Very low | 134 Ų | 134 | 143.7 Ų | 143.7 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | 20 | 110.4 | 169.2 | 51.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 658 | L | 29 | Very low | 27.6 | Very low | 154 Ų | 154 | 147.5 Ų | 147.5 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | -148.3 | 135.2 | 125.8 | -86.8 | -166.6 | 0 | 0 | 0 | 111.6 | |||||
| 659 | N | 27.5 | Very low | 28.1 | Very low | 140 Ų | 140 | 146 Ų | 146 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | trans | 56.7 | 93.3 | 149.6 | -55.5 | -7.4 | 0 | 0 | 0 | 120 | ||||
| 660 | H | 27.3 | Very low | 29.5 | Very low | 173 Ų | 173 | 143.8 Ų | 143.8 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | trans | -0.1 | 115.4 | 136.5 | -99.3 | -103.6 | 0 | 0 | 0 | 117.6 | ||||
| 661 | E | 30.4 | Very low | 31.8 | Very low | 182 Ų | 182 | 139.4 Ų | 139.4 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | -146.4 | 167.5 | 121.8 | -89.9 | -111.4 | 104.3 | 0 | 0 | 107.2 | |||||
| 662 | F | 26.4 | Very low | 34.5 | Very low | 178 Ų | 178 | 133.5 Ų | 133.5 | 78% | 0.781 | 72% | 0.723 | S | S | * | * | trans | -76.9 | 148.9 | -158 | -91.1 | -106.7 | 0 | 0 | 0 | 116.1 | S664 | F662-S664 PolarHBondContact O-N 2.88Š| ||
| 663 | F | 23.1 | Very low | 37.4 | Very low | 200 Ų | 200 | 127.9 Ų | 127.9 | 88% | 0.877 | 70% | 0.695 | S | S | * | * | trans | -63.4 | 113.1 | 165 | -87.5 | -107.9 | 0 | 0 | 0 | 110.5 | ||||
| 664 | S | 26.5 | Very low | 40.5 | Very low | 116 Ų | 116 | 123.9 Ų | 123.9 | 81% | 0.811 | 66% | 0.662 | S | S | * | * | trans | -123.4 | 102.5 | 161 | -78.8 | 0 | 0 | 0 | 0 | 109.9 | F662 | F662-S664 PolarHBondContact O-N 2.88Š| ||
| 665 | I | 25.5 | Very low | 43.5 | Very low | 146 Ų | 146 | 120.5 Ų | 120.5 | 75% | 0.749 | 64% | 0.636 | S | S | * | * | trans | -61.4 | 151.2 | 165.7 | -32.4 | 176.9 | 0 | 0 | 0 | 107.9 | ||||
| 666 | N | 25.4 | Very low | 46.5 | Very low | 139 Ų | 139 | 113.8 Ų | 113.8 | 74% | 0.743 | 59% | 0.594 | S | S | * | * | trans | 88.8 | 96.9 | -180 | -47.8 | -46.7 | 0 | 0 | 0 | 116.6 | ||||
| 667 | H | 30.6 | Very low | 49.3 | Very low | 191 Ų | 191 | 112.3 Ų | 112.3 | 88% | 0.884 | 57% | 0.571 | S | S | * | * | trans | -151.3 | 88.8 | 147.2 | -112.4 | 67.9 | 0 | 0 | 0 | 109.7 | ||||
| 668 | Y | 28.5 | Very low | 52 | Low | 216 Ų | 216 | 106.2 Ų | 106.2 | 85% | 0.847 | 53% | 0.534 | S | S | * | . | trans | -87.5 | 108 | 171.9 | -104.7 | -79.1 | 0 | 0 | 0 | 109.5 | P670 | Y668-P670 HydrophobicContact CD1-CB 4.29Å; Y668-P670 HydrophobicContact CD1-CG 4.01Å | ||
| 669 | S | 39.3 | Very low | 54.7 | Low | 109 Ų | 109 | 98.9 Ų | 98.9 | 76% | 0.762 | 50% | 0.496 | S | S | * | . | trans | -112.6 | 81 | 162.7 | 51 | 0 | 0 | 0 | 0 | 108.4 | N671 | S669-N671 VanDerWaalsContact C-N 3.34Å; S669-N671 PolarHBondContact O-N 3.04Å; S669-N671 VanDerWaalsContact O-N 3.17Å | ||
| 670 | P | 56.5 | Low | 57.3 | Low | 72 Ų | 72 | 92.8 Ų | 92.8 | 47% | 0.468 | 46% | 0.464 | S | S | . | . | trans | -75.9 | -14.9 | -150.5 | -14.2 | 27.6 | 0 | 0 | 0 | 115.8 | Y668 | Y668-P670 HydrophobicContact CD1-CB 4.29Å; Y668-P670 HydrophobicContact CD1-CG 4.01Å | ||
| 671 | N | 75.9 | Confident | 59.8 | Low | 49 Ų | 49 | 87.8 Ų | 87.8 | 26% | 0.262 | 45% | 0.447 | S | S | . | . | trans | -139 | 133.4 | -162.3 | -58 | -54 | 0 | 0 | 0 | 112.4 | S669 L699 V726 M727 F766 | S669-N671 VanDerWaalsContact C-N 3.34Å; S669-N671 PolarHBondContact O-N 3.04Å; S669-N671 VanDerWaalsContact O-N 3.17Å; N671-L699 WeakPolarHBondContact OD1-CD1 3.41Å; N671-V726 HydrophobicContact CB-CG1 3.84Å; N671-M727 CarbonylContact C-O 3.59Å; N671-M727 WeakPolarHBondContact CA-O 3.47Å; N671-F766 HydrophobicContact CB-CE1 4.27Å; N671-F766 WeakPolarHBondContact ND2-CD1 3.09Å; N671-F766 WeakPolarHBondContact ND2-CE1 3.38Å | ||
| 672 | T | 84.6 | Confident | 62.1 | Low | 18 Ų | 18 | 86 Ų | 86 | 11% | 0.11 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 129.7 | 169.7 | -62.6 | 0 | 0 | 0 | 0 | 109.9 | L674 M727 Y730 A733 K754 | T672-L674 HydrophobicContact CG2-CD2 4.16Å; T672-M727 PolarHBondContact N-O 2.97Å; T672-M727 PolarHBondContact O-N 3.35Å; T672-Y730 HydrophobicContact CG2-CD2 4.42Å; T672-A733 HydrophobicContact CG2-CB 3.67Å; T672-K754 HydrophobicContact CG2-CG 4.45Å |
| 673 | I | 89.9 | Confident | 64.8 | Low | 45 Ų | 45 | 77.6 Ų | 77.6 | 23% | 0.231 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 123.6 | 174.8 | -52.9 | 179 | 0 | 0 | 0 | 109.1 | L724 V726 S755 | I673-L724 HydrophobicContact CG2-CB 4.42Å; I673-L724 HydrophobicContact CG2-CD2 4.15Å; I673-V726 HydrophobicContact CG1-CG1 4.35Å; I673-V726 HydrophobicContact CG1-CG2 4.28Å; I673-S755 PolarHBondContact O-N 3.29Å |
| 674 | L | 91.5 | Very high | 67.7 | Low | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 146.2 | 169.1 | -58.2 | -170.5 | 0 | 0 | 0 | 110.5 | T672 F692 L724 V725 M727 A733 A736 I737 V752 S753 | T672-L674 HydrophobicContact CG2-CD2 4.16Å; L674-F692 HydrophobicContact CD1-CE1 4.15Å; L674-L724 WeakPolarHBondContact O-CA 3.49Å; L674-V725 HydrophobicContact CB-CB 4.46Å; L674-V725 PolarHBondContact N-O 2.81Å; L674-V725 PolarHBondContact O-N 2.97Å; L674-M727 HydrophobicContact CD1-SD 3.52Å; L674-M727 VanDerWaalsContact CD1-SD 3.52Å; L674-M727 HydrophobicContact CG-SD 4.12Å; L674-A733 HydrophobicContact CD2-CB 4.29Å; L674-A736 HydrophobicContact CD1-CB 3.88Å; L674-I737 HydrophobicContact CD1-CG1 4.23Å; L674-I737 HydrophobicContact CD2-CD1 3.57Å; L674-I737 HydrophobicContact CD2-CG1 3.62Å; L674-V752 HydrophobicContact CD1-CG1 4.2Å; L674-S753 CarbonylContact C-O 3.56Å; L674-S753 WeakPolarHBondContact CA-O 3.18Å |
| 675 | K | 91.3 | Very high | 70.4 | Confident | 64 Ų | 64 | 71.3 Ų | 71.3 | 28% | 0.278 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 131.6 | 172.5 | -169.6 | -166.6 | -168.5 | -165.9 | 0 | 108.7 | E677 L724 V752 S753 | K675-E677 HydrophobicContact CD-CG 4.23Å; K675-E677 WeakPolarHBondContact CE-OE1 3.44Å; K675-E677 HydrophobicContact CG-CG 4.36Å; K675-E677 IonicContact NZ-OE1 2.73Å; K675-E677 PolarHBondContact NZ-OE1 2.75Å; K675-L724 HydrophobicContact CB-CD2 4.19Å; K675-L724 HydrophobicContact CG-CD2 4.17Å; K675-V752 WeakPolarHBondContact O-CA 3.41Å; K675-S753 PolarHBondContact N-O 2.94Å; K675-S753 PolarHBondContact O-N 3.33Å |
| 676 | I | 91.2 | Very high | 73.2 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 128.4 | 175.5 | -48.8 | 174.5 | 0 | 0 | 0 | 108.4 | L679 I688 F692 K722 A723 V725 L750 K751 V752 | I676-L679 HydrophobicContact CB-CD1 4.22Å; I676-L679 HydrophobicContact CG2-CD1 3.96Å; I676-L679 HydrophobicContact CG2-CD2 4.01Å; I676-L679 HydrophobicContact CG2-CG 3.93Å; I676-I688 HydrophobicContact CD1-CG2 3.83Å; I676-F692 HydrophobicContact CD1-CD2 4.44Å; I676-F692 HydrophobicContact CD1-CE2 3.42Å; I676-F692 VanDerWaalsContact CD1-CE2 3.42Å; I676-F692 HydrophobicContact CD1-CZ 3.76Å; I676-F692 HydrophobicContact CG1-CZ 4.47Å; I676-K722 VanDerWaalsContact O-CA 3.29Å; I676-K722 WeakPolarHBondContact O-CA 3.48Å; I676-A723 HydrophobicContact CB-CB 4.25Å; I676-A723 HydrophobicContact CD1-CB 4.28Å; I676-A723 PolarHBondContact N-O 3.44Å; I676-A723 PolarHBondContact O-N 2.7Å; I676-V725 HydrophobicContact CD1-CG2 3.64Å; I676-V725 HydrophobicContact CG1-CG2 4.43Å; I676-L750 HydrophobicContact CG2-CD2 4.29Å; I676-K751 WeakPolarHBondContact CA-O 3.02Å; I676-V752 HydrophobicContact CG1-CG2 4.34Å; I676-V752 HydrophobicContact CG2-CG2 4.31Å |
| 677 | E | 87.7 | Confident | 76 | Confident | 31 Ų | 31 | 63.9 Ų | 63.9 | 15% | 0.145 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 161.3 | 174 | -47.1 | -171.6 | 122.1 | 0 | 0 | 109.5 | K675 K722 K751 | K675-E677 HydrophobicContact CD-CG 4.23Å; K675-E677 WeakPolarHBondContact CE-OE1 3.44Å; K675-E677 HydrophobicContact CG-CG 4.36Å; K675-E677 IonicContact NZ-OE1 2.73Å; K675-E677 PolarHBondContact NZ-OE1 2.75Å; E677-K722 HydrophobicContact CG-CG 4.36Å; E677-K722 WeakPolarHBondContact OE1-CE 3.31Å; E677-K751 HydrophobicContact CB-CB 4.32Å; E677-K751 PolarHBondContact N-O 2.99Å; E677-K751 PolarHBondContact O-N 3.23Å; E677-K751 WeakPolarHBondContact OE2-CD 3.43Å; E677-K751 WeakPolarHBondContact OE2-CE 3.17Å; E677-K751 IonicContact OE2-NZ 2.64Å; E677-K751 PolarHBondContact OE2-NZ 2.67Å |
| 678 | G | 84.5 | Confident | 78.7 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 6% | 0.062 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 86.1 | 13.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | E720 R748 | G678-E720 WeakPolarHBondContact CA-OE2 3.45Å; G678-E720 PolarHBondContact N-OE2 3.08Å; G678-R748 WeakPolarHBondContact O-CB 3.39Å; G678-R748 VanDerWaalsContact O-CD 3.25Å; G678-R748 WeakPolarHBondContact O-CD 3.39Å |
| 679 | L | 86 | Confident | 81.4 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 153.3 | 178.7 | -61.2 | 157.8 | 0 | 0 | 0 | 111.2 | I676 T683 I688 M721 A723 L745 R748 L750 | I676-L679 HydrophobicContact CB-CD1 4.22Å; I676-L679 HydrophobicContact CG2-CD1 3.96Å; I676-L679 HydrophobicContact CG2-CD2 4.01Å; I676-L679 HydrophobicContact CG2-CG 3.93Å; L679-T683 HydrophobicContact CD2-CG2 3.93Å; L679-I688 HydrophobicContact CD1-CD1 3.86Å; L679-I688 HydrophobicContact CD2-CD1 4.21Å; L679-I688 HydrophobicContact CD2-CG1 4.46Å; L679-M721 HydrophobicContact CB-CB 3.73Å; L679-M721 WeakPolarHBondContact CB-O 3.31Å; L679-M721 PolarHBondContact N-O 2.94Å; L679-M721 PolarHBondContact O-N 3.42Å; L679-A723 HydrophobicContact CD1-CB 3.66Å; L679-L745 HydrophobicContact CD2-CD2 4.04Å; L679-R748 PolarHBondContact O-NH1 3.22Å; L679-R748 VanDerWaalsContact O-NH1 3.11Å; L679-L750 HydrophobicContact CD2-CD2 3.59Å; L679-L750 HydrophobicContact CG-CD2 4.1Å |
| 680 | S | 81.8 | Confident | 83.5 | Confident | 11 Ų | 11 | 48.3 Ų | 48.3 | 8% | 0.077 | 25% | 0.253 | C | S | . | . | trans | -71.8 | 150.8 | 174.4 | -165.5 | 0 | 0 | 0 | 0 | 110.5 | E682 T683 M721 | S680-E682 PolarHBondContact O-N 2.65Å; S680-E682 PolarHBondContact OG-N 3.22Å; S680-T683 WeakPolarHBondContact CA-OG1 2.95Å; S680-T683 WeakPolarHBondContact CB-OG1 3.45Å; S680-T683 PolarHBondContact N-OG1 3.22Å; S680-T683 WeakPolarHBondContact O-CB 3.47Å; S680-T683 PolarHBondContact O-N 3.1Å; S680-T683 PolarHBondContact O-OG1 2.91Å; S680-M721 VanDerWaalsContact O-CG 3.31Å; S680-M721 WeakPolarHBondContact O-CG 3.46Å | ||
| 681 | P | 79.4 | Confident | 85 | Confident | 68 Ų | 68 | 46 Ų | 46 | 44% | 0.442 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -18.8 | 166.2 | 27.3 | -35.5 | 0 | 0 | 0 | 112.4 | Q719 | P681-Q719 WeakPolarHBondContact CD-O 3.1Š|
| 682 | E | 79 | Confident | 85.7 | Confident | 145 Ų | 145 | 43.9 Ų | 43.9 | 68% | 0.678 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91 | 11.3 | 173.3 | -56.6 | 175.8 | 169.5 | 0 | 0 | 113.3 | S680 D684 | S680-E682 PolarHBondContact O-N 2.65Å; S680-E682 PolarHBondContact OG-N 3.22Å; E682-D684 PolarHBondContact O-N 3.16Å |
| 683 | T | 82.1 | Confident | 85.7 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | trans | -89.3 | 98.1 | 179.8 | -50.6 | 0 | 0 | 0 | 0 | 111.6 | L679 S680 I687 I688 L703 L745 Q746 | L679-T683 HydrophobicContact CD2-CG2 3.93Å; S680-T683 WeakPolarHBondContact CA-OG1 2.95Å; S680-T683 WeakPolarHBondContact CB-OG1 3.45Å; S680-T683 PolarHBondContact N-OG1 3.22Å; S680-T683 WeakPolarHBondContact O-CB 3.47Å; S680-T683 PolarHBondContact O-N 3.1Å; S680-T683 PolarHBondContact O-OG1 2.91Å; T683-I687 HydrophobicContact CG2-CB 4Å; T683-I687 HydrophobicContact CG2-CD1 4.44Å; T683-I687 HydrophobicContact CG2-CG2 4.16Å; T683-I688 HydrophobicContact CG2-CD1 4.44Å; T683-I688 HydrophobicContact CG2-CG1 4.01Å; T683-L703 WeakPolarHBondContact O-CD1 3.48Å; T683-L745 HydrophobicContact CG2-CD2 4.04Å; T683-Q746 PolarHBondContact OG1-OE1 3.12Å | ||
| 684 | D | 83.7 | Confident | 85.4 | Confident | 107 Ų | 107 | 46 Ų | 46 | 57% | 0.572 | 25% | 0.247 | S | C | * | . | trans | -72 | 158.1 | 170.7 | -73.7 | -46.1 | 0 | 0 | 0 | 113.1 | E682 S686 I687 | E682-D684 PolarHBondContact O-N 3.16Å; D684-S686 PolarHBondContact O-N 2.9Å; D684-I687 WeakPolarHBondContact O-CB 3.35Å; D684-I687 PolarHBondContact O-N 3.24Å | ||
| 685 | E | 85 | Confident | 85.2 | Confident | 77 Ų | 77 | 46.9 Ų | 46.9 | 36% | 0.36 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -55.6 | -35.2 | 178.7 | -169.2 | -171.3 | 146.4 | 0 | 0 | 112.4 | I687 I688 L689 I701 L703 | E685-I687 PolarHBondContact O-N 3.11Å; E685-I688 PolarHBondContact O-N 2.75Å; E685-I688 VanDerWaalsContact O-N 3.07Å; E685-L689 HydrophobicContact CG-CD1 4.3Å; E685-L689 HydrophobicContact CG-CG 4.44Å; E685-L689 WeakPolarHBondContact O-CG 3.31Å; E685-L689 PolarHBondContact O-N 2.81Å; E685-I701 HydrophobicContact CG-CB 4.15Å; E685-I701 HydrophobicContact CG-CG2 4.11Å; E685-L703 HydrophobicContact CB-CD1 4.25Å |
| 686 | S | 83.1 | Confident | 84.9 | Confident | 76 Ų | 76 | 49.6 Ų | 49.6 | 53% | 0.531 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.3 | -29.2 | 176.6 | 59.9 | 0 | 0 | 0 | 0 | 113.6 | D684 R690 | D684-S686 PolarHBondContact O-N 2.9Å; S686-R690 WeakPolarHBondContact O-CB 3.41Å; S686-R690 PolarHBondContact O-N 2.92Å |
| 687 | I | 85.4 | Confident | 84.7 | Confident | 53 Ų | 53 | 49.7 Ų | 49.7 | 27% | 0.272 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -74.6 | -39.8 | 175.5 | -54.3 | -174.8 | 0 | 0 | 0 | 109.8 | T683 D684 E685 R690 L691 L745 | T683-I687 HydrophobicContact CG2-CB 4Å; T683-I687 HydrophobicContact CG2-CD1 4.44Å; T683-I687 HydrophobicContact CG2-CG2 4.16Å; D684-I687 WeakPolarHBondContact O-CB 3.35Å; D684-I687 PolarHBondContact O-N 3.24Å; E685-I687 PolarHBondContact O-N 3.11Å; I687-R690 PolarHBondContact O-N 3.03Å; I687-L691 PolarHBondContact O-N 3.33Å; I687-L745 HydrophobicContact CG2-CD1 3.96Å; I687-L745 HydrophobicContact CG2-CD2 4.01Å; I687-L745 HydrophobicContact CG2-CG 4.49Å |
| 688 | I | 86.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71.6 | -42 | 178.5 | -45.7 | -174.1 | 0 | 0 | 0 | 110.4 | I676 L679 T683 E685 R690 L691 F692 I701 L703 A723 V725 | I676-I688 HydrophobicContact CD1-CG2 3.83Å; L679-I688 HydrophobicContact CD1-CD1 3.86Å; L679-I688 HydrophobicContact CD2-CD1 4.21Å; L679-I688 HydrophobicContact CD2-CG1 4.46Å; T683-I688 HydrophobicContact CG2-CD1 4.44Å; T683-I688 HydrophobicContact CG2-CG1 4.01Å; E685-I688 PolarHBondContact O-N 2.75Å; E685-I688 VanDerWaalsContact O-N 3.07Å; I688-R690 PolarHBondContact O-N 2.82Å; I688-L691 WeakPolarHBondContact O-CB 3.46Å; I688-L691 PolarHBondContact O-N 3.29Å; I688-L691 VanDerWaalsContact O-N 3.1Å; I688-F692 HydrophobicContact CG2-CD2 3.81Å; I688-F692 HydrophobicContact CG2-CE2 4.07Å; I688-F692 WeakPolarHBondContact O-CB 3.25Å; I688-F692 WeakPolarHBondContact O-CD2 3.22Å; I688-F692 PolarHBondContact O-N 3.01Å; I688-I701 HydrophobicContact CB-CD1 4.06Å; I688-I701 HydrophobicContact CB-CG2 4.2Å; I688-I701 HydrophobicContact CD1-CG2 4.33Å; I688-I701 HydrophobicContact CG2-CD1 3.8Å; I688-I701 HydrophobicContact CG2-CG2 4.09Å; I688-L703 HydrophobicContact CD1-CD2 3.61Å; I688-L703 HydrophobicContact CD1-CG 4.38Å; I688-A723 HydrophobicContact CD1-CB 3.59Å; I688-V725 HydrophobicContact CG2-CG2 4.23Å |
| 689 | L | 83.7 | Confident | 84.8 | Confident | 67 Ų | 67 | 50.7 Ų | 50.7 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -54.9 | -40.1 | 171.2 | -75 | 169.2 | 0 | 0 | 0 | 111.7 | E685 F692 S693 I701 | E685-L689 HydrophobicContact CG-CD1 4.3Å; E685-L689 HydrophobicContact CG-CG 4.44Å; E685-L689 WeakPolarHBondContact O-CG 3.31Å; E685-L689 PolarHBondContact O-N 2.81Å; L689-F692 PolarHBondContact O-N 2.87Å; L689-S693 WeakPolarHBondContact O-CB 3.44Å; L689-S693 PolarHBondContact O-N 2.96Å; L689-I701 HydrophobicContact CB-CD1 4.49Å; L689-I701 HydrophobicContact CD2-CD1 3.68Å; L689-I701 HydrophobicContact CD2-CG1 4.13Å; L689-I701 HydrophobicContact CG-CD1 3.91Å |
| 690 | R | 85.3 | Confident | 84.8 | Confident | 122 Ų | 122 | 52.5 Ų | 52.5 | 46% | 0.46 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -77.4 | -24.1 | 177.8 | -168.1 | 170.6 | 179.9 | -170.5 | -5.5 | 114 | L635 P636 S686 I687 I688 S693 | L635-R690 PolarHBondContact O-NH2 2.85Å; P636-R690 PolarHBondContact O-NH2 2.91Å; S686-R690 WeakPolarHBondContact O-CB 3.41Å; S686-R690 PolarHBondContact O-N 2.92Å; I687-R690 PolarHBondContact O-N 3.03Å; I688-R690 PolarHBondContact O-N 2.82Å; R690-S693 PolarHBondContact O-OG 2.89Å |
| 691 | L | 87.6 | Confident | 85.1 | Confident | 25 Ų | 25 | 52.7 Ų | 52.7 | 13% | 0.131 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -73.5 | -36.6 | 169.3 | -175.6 | 69.1 | 0 | 0 | 0 | 111.3 | I687 I688 L740 Y743 L750 | I687-L691 PolarHBondContact O-N 3.33Å; I688-L691 WeakPolarHBondContact O-CB 3.46Å; I688-L691 PolarHBondContact O-N 3.29Å; I688-L691 VanDerWaalsContact O-N 3.1Å; L691-L740 HydrophobicContact CD1-CD2 3.87Å; L691-L740 HydrophobicContact CD2-CD1 4.41Å; L691-L740 HydrophobicContact CD2-CD2 4.46Å; L691-L740 HydrophobicContact CG-CD1 4.23Å; L691-L740 HydrophobicContact CG-CD2 3.95Å; L691-Y743 HydrophobicContact CD1-CD1 3.83Å; L691-Y743 HydrophobicContact CD1-CE1 3.65Å; L691-Y743 HydrophobicContact CD1-CG 4.4Å; L691-L750 HydrophobicContact CD2-CD1 3.41Å; L691-L750 VanDerWaalsContact CD2-CD1 3.41Å |
| 692 | F | 89.5 | Confident | 85.4 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 1% | 0.013 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -92.4 | -1.4 | -177.4 | -86.5 | -99.6 | 0 | 0 | 0 | 114.6 | L674 I676 I688 L689 A694 F695 V698 V725 M727 A736 L740 | L674-F692 HydrophobicContact CD1-CE1 4.15Å; I676-F692 HydrophobicContact CD1-CD2 4.44Å; I676-F692 HydrophobicContact CD1-CE2 3.42Å; I676-F692 VanDerWaalsContact CD1-CE2 3.42Å; I676-F692 HydrophobicContact CD1-CZ 3.76Å; I676-F692 HydrophobicContact CG1-CZ 4.47Å; I688-F692 HydrophobicContact CG2-CD2 3.81Å; I688-F692 HydrophobicContact CG2-CE2 4.07Å; I688-F692 WeakPolarHBondContact O-CB 3.25Å; I688-F692 WeakPolarHBondContact O-CD2 3.22Å; I688-F692 PolarHBondContact O-N 3.01Å; L689-F692 PolarHBondContact O-N 2.87Å; F692-A694 PolarHBondContact O-N 2.99Å; F692-F695 HydrophobicContact CD1-CD2 4.15Å; F692-F695 PolarHBondContact O-N 3.23Å; F692-V698 HydrophobicContact CB-CG2 4.11Å; F692-V698 HydrophobicContact CD1-CG2 3.84Å; F692-V698 HydrophobicContact CG-CG2 4.4Å; F692-V725 HydrophobicContact CD1-CG1 3.91Å; F692-V725 HydrophobicContact CE1-CB 4.31Å; F692-V725 HydrophobicContact CE1-CG1 3.88Å; F692-V725 HydrophobicContact CE1-CG2 4.4Å; F692-V725 HydrophobicContact CE2-CG2 4.24Å; F692-V725 HydrophobicContact CG-CG1 4.47Å; F692-V725 HydrophobicContact CZ-CB 4.43Å; F692-V725 HydrophobicContact CZ-CG1 4.45Å; F692-V725 HydrophobicContact CZ-CG2 4.15Å; F692-M727 HydrophobicContact CD1-SD 4.48Å; F692-M727 HydrophobicContact CE1-SD 4.19Å; F692-A736 HydrophobicContact CE1-CB 3.99Å; F692-L740 HydrophobicContact CD1-CD1 4.21Å; F692-L740 HydrophobicContact CD2-CD1 3.88Å; F692-L740 HydrophobicContact CE1-CD1 3.81Å; F692-L740 HydrophobicContact CE2-CD1 3.42Å; F692-L740 VanDerWaalsContact CE2-CD1 3.42Å; F692-L740 HydrophobicContact CG-CD1 4.25Å; F692-L740 HydrophobicContact CZ-CD1 3.4Å |
| 693 | S | 84.7 | Confident | 85.7 | Confident | 65 Ų | 65 | 48.6 Ų | 48.6 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -7.9 | -176.5 | 67 | 0 | 0 | 0 | 0 | 115 | L689 R690 F695 | L689-S693 WeakPolarHBondContact O-CB 3.44Å; L689-S693 PolarHBondContact O-N 2.96Å; R690-S693 PolarHBondContact O-OG 2.89Å; S693-F695 VanDerWaalsContact C-N 3.32Å |
| 694 | A | 83.9 | Confident | 85.6 | Confident | 42 Ų | 42 | 51.5 Ų | 51.5 | 35% | 0.347 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -11.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L641 F692 P696 | L641-A694 HydrophobicContact CD1-CB 3.99Å; L641-A694 HydrophobicContact CD2-CB 4.37Å; F692-A694 PolarHBondContact O-N 2.99Å; A694-P696 WeakPolarHBondContact O-CD 3.39Å |
| 695 | F | 88 | Confident | 85 | Confident | 19 Ų | 19 | 50.3 Ų | 50.3 | 8% | 0.083 | 28% | 0.284 | C | S | . | . | trans | -116.4 | 90.3 | -175.5 | -56.7 | -73.8 | 0 | 0 | 0 | 110.6 | F692 S693 S697 V698 M727 Q732 L735 A736 L740 | F692-F695 HydrophobicContact CD1-CD2 4.15Å; F692-F695 PolarHBondContact O-N 3.23Å; S693-F695 VanDerWaalsContact C-N 3.32Å; F695-S697 PolarHBondContact O-N 3.14Å; F695-V698 HydrophobicContact CB-CG2 4.25Å; F695-V698 WeakPolarHBondContact O-CG2 3.4Å; F695-V698 PolarHBondContact O-N 2.79Å; F695-M727 HydrophobicContact CB-CE 3.72Å; F695-M727 HydrophobicContact CD1-CE 4.48Å; F695-M727 HydrophobicContact CG-CE 4.16Å; F695-Q732 HydrophobicContact CD1-CB 4.36Å; F695-L735 HydrophobicContact CE1-CB 3.86Å; F695-A736 HydrophobicContact CD1-CB 4.18Å; F695-A736 HydrophobicContact CD2-CB 3.97Å; F695-A736 HydrophobicContact CE1-CB 4.04Å; F695-A736 HydrophobicContact CE2-CB 3.82Å; F695-A736 HydrophobicContact CG-CB 4.16Å; F695-A736 VanDerWaalsContact CZ-CA 3.48Å; F695-A736 HydrophobicContact CZ-CB 3.86Å; F695-L740 HydrophobicContact CE2-CD1 3.99Å; F695-L740 HydrophobicContact CE2-CG 4.31Å | ||
| 696 | P | 83.6 | Confident | 83.7 | Confident | 121 Ų | 121 | 49.6 Ų | 49.6 | 79% | 0.786 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -3.6 | -177.5 | 25.2 | -35.5 | 0 | 0 | 0 | 115.5 | A694 | A694-P696 WeakPolarHBondContact O-CD 3.39Š|
| 697 | S | 87.2 | Confident | 82.2 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -1 | 174.4 | 66.8 | 0 | 0 | 0 | 0 | 115.8 | F695 L699 M727 S728 D729 Q732 | F695-S697 PolarHBondContact O-N 3.14Å; S697-L699 PolarHBondContact O-N 3.28Å; S697-M727 CarbonylContact O-C 3.43Å; S697-M727 VanDerWaalsContact O-CA 3.28Å; S697-M727 WeakPolarHBondContact O-CA 3.44Å; S697-M727 VanDerWaalsContact OG-CE 3.23Å; S697-M727 WeakPolarHBondContact OG-CE 3.4Å; S697-S728 WeakPolarHBondContact CB-OG 3.3Å; S697-S728 PolarHBondContact O-N 3.45Å; S697-S728 PolarHBondContact O-OG 2.97Å; S697-D729 VanDerWaalsContact CB-CB 3.42Å; S697-Q732 VanDerWaalsContact N-OE1 3.09Å; S697-Q732 WeakPolarHBondContact OG-CB 3.3Å; S697-Q732 PolarHBondContact OG-OE1 3.47Å |
| 698 | V | 87.3 | Confident | 80.3 | Confident | 28 Ų | 28 | 57.9 Ų | 57.9 | 17% | 0.17 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 120.1 | -179.9 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | F692 F695 I701 V725 M727 | F692-V698 HydrophobicContact CB-CG2 4.11Å; F692-V698 HydrophobicContact CD1-CG2 3.84Å; F692-V698 HydrophobicContact CG-CG2 4.4Å; F695-V698 HydrophobicContact CB-CG2 4.25Å; F695-V698 WeakPolarHBondContact O-CG2 3.4Å; F695-V698 PolarHBondContact O-N 2.79Å; V698-I701 HydrophobicContact CG1-CD1 4.37Å; V698-I701 HydrophobicContact CG1-CG1 4.07Å; V698-V725 HydrophobicContact CG1-CG1 3.9Å; V698-V725 HydrophobicContact CG2-CG1 4.07Å; V698-M727 HydrophobicContact CG2-CE 4.23Å; V698-M727 HydrophobicContact CG2-CG 3.97Å; V698-M727 HydrophobicContact CG2-SD 4.35Å |
| 699 | L | 86.8 | Confident | 77.9 | Confident | 30 Ų | 30 | 65.6 Ų | 65.6 | 16% | 0.157 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | -27.7 | -178.6 | -65.5 | -174 | 0 | 0 | 0 | 114.1 | N671 S697 V726 F766 F769 L770 | N671-L699 WeakPolarHBondContact OD1-CD1 3.41Å; S697-L699 PolarHBondContact O-N 3.28Å; L699-V726 PolarHBondContact N-O 3.24Å; L699-F766 HydrophobicContact CD1-CD1 4.28Å; L699-F769 VanDerWaalsContact O-CB 3.23Å; L699-F769 WeakPolarHBondContact O-CB 3.19Å; L699-L770 HydrophobicContact CD2-CD2 3.76Å; L699-L770 HydrophobicContact CD2-CG 4.28Å |
| 700 | S | 86.8 | Confident | 75.6 | Confident | 40 Ų | 40 | 70.6 Ų | 70.6 | 28% | 0.28 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.3 | 156.5 | 173.9 | 62.9 | 0 | 0 | 0 | 0 | 111.6 | V725 V726 | S700-V725 WeakPolarHBondContact O-CA 3.22Å; S700-V726 PolarHBondContact N-O 3.44Å; S700-V726 PolarHBondContact O-N 3.1Å; S700-V726 WeakPolarHBondContact OG-CB 3.37Å; S700-V726 WeakPolarHBondContact OG-CG2 3.34Å |
| 701 | I | 87.4 | Confident | 73.2 | Confident | 15 Ų | 15 | 67.9 Ų | 67.9 | 8% | 0.077 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 136.3 | 170.5 | -54.8 | -164.8 | 0 | 0 | 0 | 107.3 | E685 I688 L689 V698 L724 V725 | E685-I701 HydrophobicContact CG-CB 4.15Å; E685-I701 HydrophobicContact CG-CG2 4.11Å; I688-I701 HydrophobicContact CB-CD1 4.06Å; I688-I701 HydrophobicContact CB-CG2 4.2Å; I688-I701 HydrophobicContact CD1-CG2 4.33Å; I688-I701 HydrophobicContact CG2-CD1 3.8Å; I688-I701 HydrophobicContact CG2-CG2 4.09Å; L689-I701 HydrophobicContact CB-CD1 4.49Å; L689-I701 HydrophobicContact CD2-CD1 3.68Å; L689-I701 HydrophobicContact CD2-CG1 4.13Å; L689-I701 HydrophobicContact CG-CD1 3.91Å; V698-I701 HydrophobicContact CG1-CD1 4.37Å; V698-I701 HydrophobicContact CG1-CG1 4.07Å; I701-L724 CarbonylContact C-O 3.52Å; I701-L724 WeakPolarHBondContact CA-O 3.45Å; I701-V725 HydrophobicContact CD1-CG2 4.22Å; I701-V725 HydrophobicContact CG1-CG1 4.29Å; I701-V725 HydrophobicContact CG1-CG2 4.07Å; I701-V725 HydrophobicContact CG2-CG2 4.17Å |
| 702 | Q | 86.4 | Confident | 70.6 | Confident | 83 Ų | 83 | 75.3 Ų | 75.3 | 39% | 0.388 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 116.1 | 172.3 | -177.2 | 163.6 | -35.1 | 0 | 0 | 110.4 | L704 A723 L724 | Q702-L704 HydrophobicContact CG-CD2 4.36Å; Q702-A723 CarbonylContact O-C 3.55Å; Q702-A723 VanDerWaalsContact O-CA 3.3Å; Q702-A723 WeakPolarHBondContact O-CA 3.05Å; Q702-L724 PolarHBondContact N-O 3.19Å; Q702-L724 PolarHBondContact O-N 2.87Å |
| 703 | L | 85.8 | Confident | 68 | Low | 43 Ų | 43 | 81.1 Ų | 81.1 | 23% | 0.225 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 138.5 | 168.8 | -77.5 | 170.1 | 0 | 0 | 0 | 110.7 | T683 E685 I688 M721 A723 | T683-L703 WeakPolarHBondContact O-CD1 3.48Å; E685-L703 HydrophobicContact CB-CD1 4.25Å; I688-L703 HydrophobicContact CD1-CD2 3.61Å; I688-L703 HydrophobicContact CD1-CG 4.38Å; L703-M721 HydrophobicContact CB-CE 4.35Å; L703-M721 HydrophobicContact CD1-CE 4.17Å; L703-M721 HydrophobicContact CD2-CE 4.12Å; L703-M721 HydrophobicContact CG-CE 4.46Å; L703-A723 HydrophobicContact CD2-CB 4.3Å |
| 704 | L | 79.6 | Confident | 65.6 | Low | 62 Ų | 62 | 84.4 Ų | 84.4 | 33% | 0.325 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 110.2 | 176.7 | -65.3 | 177.7 | 0 | 0 | 0 | 108.9 | Q702 K722 L724 | Q702-L704 HydrophobicContact CG-CD2 4.36Å; L704-K722 HydrophobicContact CB-CB 4.21Å; L704-K722 PolarHBondContact N-O 2.94Å; L704-K722 PolarHBondContact O-N 3.34Å; L704-L724 HydrophobicContact CD1-CD1 3.93Å; L704-L724 HydrophobicContact CD1-CG 3.9Å |
| 705 | P | 71.4 | Confident | 63.6 | Low | 83 Ų | 83 | 88.7 Ų | 88.7 | 54% | 0.539 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 141.1 | 168.6 | 28.8 | -33.3 | 0 | 0 | 0 | 109.6 | N707 M721 | P705-N707 PolarHBondContact O-N 3.44Å; P705-M721 HydrophobicContact CB-SD 4.18Å |
| 706 | N | 58.4 | Low | 61.2 | Low | 62 Ų | 62 | 95.9 Ų | 95.9 | 33% | 0.332 | 53% | 0.528 | S | S | . | . | trans | -73.6 | 70.3 | 176.8 | -86.7 | -47.9 | 0 | 0 | 0 | 111.9 | E720 K722 | N706-E720 PolarHBondContact ND2-O 3.04Å; N706-K722 VanDerWaalsContact OD1-CD 3.3Å; N706-K722 WeakPolarHBondContact OD1-CD 3.04Å; N706-K722 WeakPolarHBondContact OD1-CE 3.28Å; N706-K722 PolarHBondContact OD1-NZ 3.5Å | ||
| 707 | N | 50 | Low | 59.6 | Low | 135 Ų | 135 | 97.4 Ų | 97.4 | 72% | 0.722 | 53% | 0.53 | S | S | * | . | trans | -108 | 55.5 | 173.6 | -80.3 | 2.5 | 0 | 0 | 0 | 111.4 | P705 | P705-N707 PolarHBondContact O-N 3.44Š| ||
| 708 | E | 46.9 | Very low | 58.1 | Low | 167 Ų | 167 | 104.9 Ų | 104.9 | 78% | 0.78 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -111.1 | 118.3 | 161.6 | -72.2 | -172.9 | 126.2 | 0 | 0 | 109.2 | ||
| 709 | L | 36.7 | Very low | 56.6 | Low | 162 Ų | 162 | 110.3 Ų | 110.3 | 85% | 0.848 | 59% | 0.585 | S | S | * | * | trans | 14.7 | 106.4 | 168.1 | -61.6 | 114.4 | 0 | 0 | 0 | 118.3 | ||||
| 710 | N | 34.8 | Very low | 55.9 | Low | 172 Ų | 172 | 112.5 Ų | 112.5 | 92% | 0.92 | 60% | 0.595 | S | S | * | * | -150.2 | 134 | 128.2 | -97.4 | -39.5 | 0 | 0 | 0 | 110.4 | |||||
| 711 | G | 34.5 | Very low | 55.6 | Low | 66 Ų | 66 | 112.3 Ų | 112.3 | 68% | 0.68 | 59% | 0.59 | S | S | * | * | trans | -102.3 | 142.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 712 | E | 33.6 | Very low | 55.6 | Low | 180 Ų | 180 | 114.1 Ų | 114.1 | 84% | 0.841 | 60% | 0.597 | S | S | * | * | S | Bend | trans | 67.1 | 154.6 | 175.6 | -51 | -169 | 146 | 0 | 0 | 117.5 | ||
| 713 | N | 34.7 | Very low | 55.7 | Low | 126 Ų | 126 | 110.2 Ų | 110.2 | 67% | 0.674 | 58% | 0.579 | S | S | * | * | trans | 72.9 | 81.6 | 163.8 | -55.8 | -61.6 | 0 | 0 | 0 | 119.4 | ||||
| 714 | N | 33.5 | Very low | 56 | Low | 134 Ų | 134 | 109.7 Ų | 109.7 | 72% | 0.717 | 58% | 0.576 | S | S | * | * | 65.8 | 144.4 | 122.5 | -54.4 | -36.3 | 0 | 0 | 0 | 121.3 | |||||
| 715 | N | 41.6 | Very low | 56.5 | Low | 132 Ų | 132 | 106.8 Ų | 106.8 | 71% | 0.706 | 56% | 0.561 | S | S | * | * | trans | 79.3 | 84.3 | 166.2 | -48 | -38.7 | 0 | 0 | 0 | 117.3 | D717 | N715-D717 PolarHBondContact O-N 3.26Š| ||
| 716 | N | 38.6 | Very low | 57.5 | Low | 169 Ų | 169 | 103.3 Ų | 103.3 | 90% | 0.904 | 54% | 0.538 | S | S | * | . | trans | 48.4 | 1 | 132 | -62.2 | -6.8 | 0 | 0 | 0 | 122.6 | K718 | N716-K718 PolarHBondContact O-N 3.25Š| ||
| 717 | D | 49.7 | Very low | 58.9 | Low | 153 Ų | 153 | 100.4 Ų | 100.4 | 82% | 0.818 | 52% | 0.523 | S | S | * | . | trans | -79 | 92.8 | -177.2 | -82.7 | -36 | 0 | 0 | 0 | 112 | N715 Q719 | N715-D717 PolarHBondContact O-N 3.26Å; D717-Q719 PolarHBondContact O-N 3.07Å | ||
| 718 | K | 55.1 | Low | 60.8 | Low | 160 Ų | 160 | 96.8 Ų | 96.8 | 70% | 0.696 | 51% | 0.508 | S | S | * | . | trans | 12.7 | 94.5 | 152.7 | -64.9 | 171.8 | -176.3 | 166.9 | 0 | 114.4 | N716 E720 | N716-K718 PolarHBondContact O-N 3.25Å; K718-E720 PolarHBondContact O-N 2.92Å | ||
| 719 | Q | 57.3 | Low | 62.7 | Low | 142 Ų | 142 | 91.5 Ų | 91.5 | 66% | 0.664 | 49% | 0.485 | S | S | * | . | trans | -50.3 | 132 | 160.9 | -74.5 | 177 | -40.2 | 0 | 0 | 109.4 | P681 D717 R748 | P681-Q719 WeakPolarHBondContact CD-O 3.1Å; D717-Q719 PolarHBondContact O-N 3.07Å; Q719-R748 PolarHBondContact O-NH1 3.39Å; Q719-R748 PolarHBondContact O-NH2 2.66Å; Q719-R748 VanDerWaalsContact O-NH2 3.1Å | ||
| 720 | E | 70.9 | Confident | 65.1 | Low | 77 Ų | 77 | 89.2 Ų | 89.2 | 36% | 0.36 | 47% | 0.466 | S | S | . | . | trans | -105.5 | 152.2 | 170.5 | -49.1 | -144.7 | 120.7 | 0 | 0 | 109.6 | G678 N706 K718 R748 | G678-E720 WeakPolarHBondContact CA-OE2 3.45Å; G678-E720 PolarHBondContact N-OE2 3.08Å; N706-E720 PolarHBondContact ND2-O 3.04Å; K718-E720 PolarHBondContact O-N 2.92Å; E720-R748 IonicContact OE1-NH1 3.78Å | ||
| 721 | M | 80.5 | Confident | 67.5 | Low | 36 Ų | 36 | 85.8 Ų | 85.8 | 18% | 0.177 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 151.5 | 164.6 | -75.8 | -83 | -105.6 | 0 | 0 | 109.5 | L679 S680 L703 P705 | L679-M721 HydrophobicContact CB-CB 3.73Å; L679-M721 WeakPolarHBondContact CB-O 3.31Å; L679-M721 PolarHBondContact N-O 2.94Å; L679-M721 PolarHBondContact O-N 3.42Å; S680-M721 VanDerWaalsContact O-CG 3.31Å; S680-M721 WeakPolarHBondContact O-CG 3.46Å; L703-M721 HydrophobicContact CB-CE 4.35Å; L703-M721 HydrophobicContact CD1-CE 4.17Å; L703-M721 HydrophobicContact CD2-CE 4.12Å; L703-M721 HydrophobicContact CG-CE 4.46Å; P705-M721 HydrophobicContact CB-SD 4.18Å |
| 722 | K | 87.4 | Confident | 70 | Confident | 53 Ų | 53 | 84.6 Ų | 84.6 | 23% | 0.23 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 157.6 | 166 | -72.1 | 171.8 | 179.9 | 146.4 | 0 | 108.7 | I676 E677 L704 N706 | I676-K722 VanDerWaalsContact O-CA 3.29Å; I676-K722 WeakPolarHBondContact O-CA 3.48Å; E677-K722 HydrophobicContact CG-CG 4.36Å; E677-K722 WeakPolarHBondContact OE1-CE 3.31Å; L704-K722 HydrophobicContact CB-CB 4.21Å; L704-K722 PolarHBondContact N-O 2.94Å; L704-K722 PolarHBondContact O-N 3.34Å; N706-K722 VanDerWaalsContact OD1-CD 3.3Å; N706-K722 WeakPolarHBondContact OD1-CD 3.04Å; N706-K722 WeakPolarHBondContact OD1-CE 3.28Å; N706-K722 PolarHBondContact OD1-NZ 3.5Å |
| 723 | A | 89 | Confident | 72.7 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 149.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I676 L679 I688 Q702 L703 | I676-A723 HydrophobicContact CB-CB 4.25Å; I676-A723 HydrophobicContact CD1-CB 4.28Å; I676-A723 PolarHBondContact N-O 3.44Å; I676-A723 PolarHBondContact O-N 2.7Å; L679-A723 HydrophobicContact CD1-CB 3.66Å; I688-A723 HydrophobicContact CD1-CB 3.59Å; Q702-A723 CarbonylContact O-C 3.55Å; Q702-A723 VanDerWaalsContact O-CA 3.3Å; Q702-A723 WeakPolarHBondContact O-CA 3.05Å; L703-A723 HydrophobicContact CD2-CB 4.3Å |
| 724 | L | 91.2 | Very high | 75.2 | Confident | 33 Ų | 33 | 74 Ų | 74 | 17% | 0.173 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 133.8 | 163 | -63.5 | 176.8 | 0 | 0 | 0 | 108.4 | I673 L674 K675 I701 Q702 L704 | I673-L724 HydrophobicContact CG2-CB 4.42Å; I673-L724 HydrophobicContact CG2-CD2 4.15Å; L674-L724 WeakPolarHBondContact O-CA 3.49Å; K675-L724 HydrophobicContact CB-CD2 4.19Å; K675-L724 HydrophobicContact CG-CD2 4.17Å; I701-L724 CarbonylContact C-O 3.52Å; I701-L724 WeakPolarHBondContact CA-O 3.45Å; Q702-L724 PolarHBondContact N-O 3.19Å; Q702-L724 PolarHBondContact O-N 2.87Å; L704-L724 HydrophobicContact CD1-CD1 3.93Å; L704-L724 HydrophobicContact CD1-CG 3.9Å |
| 725 | V | 91.4 | Very high | 77.8 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 124.4 | 173.4 | 179 | 0 | 0 | 0 | 0 | 107.9 | L674 I676 I688 F692 V698 S700 I701 M727 | L674-V725 HydrophobicContact CB-CB 4.46Å; L674-V725 PolarHBondContact N-O 2.81Å; L674-V725 PolarHBondContact O-N 2.97Å; I676-V725 HydrophobicContact CD1-CG2 3.64Å; I676-V725 HydrophobicContact CG1-CG2 4.43Å; I688-V725 HydrophobicContact CG2-CG2 4.23Å; F692-V725 HydrophobicContact CD1-CG1 3.91Å; F692-V725 HydrophobicContact CE1-CB 4.31Å; F692-V725 HydrophobicContact CE1-CG1 3.88Å; F692-V725 HydrophobicContact CE1-CG2 4.4Å; F692-V725 HydrophobicContact CE2-CG2 4.24Å; F692-V725 HydrophobicContact CG-CG1 4.47Å; F692-V725 HydrophobicContact CZ-CB 4.43Å; F692-V725 HydrophobicContact CZ-CG1 4.45Å; F692-V725 HydrophobicContact CZ-CG2 4.15Å; V698-V725 HydrophobicContact CG1-CG1 3.9Å; V698-V725 HydrophobicContact CG2-CG1 4.07Å; S700-V725 WeakPolarHBondContact O-CA 3.22Å; I701-V725 HydrophobicContact CD1-CG2 4.22Å; I701-V725 HydrophobicContact CG1-CG1 4.29Å; I701-V725 HydrophobicContact CG1-CG2 4.07Å; I701-V725 HydrophobicContact CG2-CG2 4.17Å; V725-M727 HydrophobicContact CG1-CG 4.1Å |
| 726 | V | 91.4 | Very high | 80.1 | Confident | 11 Ų | 11 | 65.2 Ų | 65.2 | 7% | 0.067 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 131 | -179.5 | -169.7 | 0 | 0 | 0 | 0 | 109 | N671 I673 L699 S700 F766 | N671-V726 HydrophobicContact CB-CG1 3.84Å; I673-V726 HydrophobicContact CG1-CG1 4.35Å; I673-V726 HydrophobicContact CG1-CG2 4.28Å; L699-V726 PolarHBondContact N-O 3.24Å; S700-V726 PolarHBondContact N-O 3.44Å; S700-V726 PolarHBondContact O-N 3.1Å; S700-V726 WeakPolarHBondContact OG-CB 3.37Å; S700-V726 WeakPolarHBondContact OG-CG2 3.34Å; V726-F766 HydrophobicContact CG1-CE1 3.96Å |
| 727 | M | 88.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 134.5 | -174.1 | -61.9 | 178.7 | 68.3 | 0 | 0 | 110.9 | N671 T672 L674 F692 F695 S697 V698 V725 D729 Q732 A733 A736 | N671-M727 CarbonylContact C-O 3.59Å; N671-M727 WeakPolarHBondContact CA-O 3.47Å; T672-M727 PolarHBondContact N-O 2.97Å; T672-M727 PolarHBondContact O-N 3.35Å; L674-M727 HydrophobicContact CD1-SD 3.52Å; L674-M727 VanDerWaalsContact CD1-SD 3.52Å; L674-M727 HydrophobicContact CG-SD 4.12Å; F692-M727 HydrophobicContact CD1-SD 4.48Å; F692-M727 HydrophobicContact CE1-SD 4.19Å; F695-M727 HydrophobicContact CB-CE 3.72Å; F695-M727 HydrophobicContact CD1-CE 4.48Å; F695-M727 HydrophobicContact CG-CE 4.16Å; S697-M727 CarbonylContact O-C 3.43Å; S697-M727 VanDerWaalsContact O-CA 3.28Å; S697-M727 WeakPolarHBondContact O-CA 3.44Å; S697-M727 VanDerWaalsContact OG-CE 3.23Å; S697-M727 WeakPolarHBondContact OG-CE 3.4Å; V698-M727 HydrophobicContact CG2-CE 4.23Å; V698-M727 HydrophobicContact CG2-CG 3.97Å; V698-M727 HydrophobicContact CG2-SD 4.35Å; V725-M727 HydrophobicContact CG1-CG 4.1Å; M727-D729 VanDerWaalsContact C-N 3.32Å; M727-Q732 HydrophobicContact CE-CB 3.93Å; M727-A733 HydrophobicContact CB-CB 4.3Å; M727-A733 HydrophobicContact CE-CB 4.35Å; M727-A733 HydrophobicContact SD-CB 4.01Å; M727-A736 HydrophobicContact CE-CB 4.11Å; M727-A736 HydrophobicContact SD-CB 4.12Å |
| 728 | S | 88.2 | Confident | 84.3 | Confident | 60 Ų | 60 | 58.9 Ų | 58.9 | 42% | 0.42 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -76 | -16.5 | 179.3 | 56.4 | 0 | 0 | 0 | 0 | 114.4 | S697 | S697-S728 WeakPolarHBondContact CB-OG 3.3Å; S697-S728 PolarHBondContact O-N 3.45Å; S697-S728 PolarHBondContact O-OG 2.97Å |
| 729 | D | 87.1 | Confident | 85.9 | Confident | 56 Ų | 56 | 58.6 Ų | 58.6 | 30% | 0.299 | 28% | 0.276 | S | S | . | . | trans | -120.8 | 122.4 | -173.8 | -178.5 | -39.5 | 0 | 0 | 0 | 110 | S697 M727 E731 Q732 A733 | S697-D729 VanDerWaalsContact CB-CB 3.42Å; M727-D729 VanDerWaalsContact C-N 3.32Å; D729-E731 WeakPolarHBondContact OD1-CA 3.24Å; D729-E731 PolarHBondContact OD1-N 3.48Å; D729-Q732 HydrophobicContact CB-CB 4Å; D729-Q732 HydrophobicContact CB-CG 4.09Å; D729-Q732 PolarHBondContact OD1-N 2.72Å; D729-Q732 PolarHBondContact OD2-NE2 2.84Å; D729-A733 WeakPolarHBondContact O-CB 3.19Å; D729-A733 PolarHBondContact O-N 3.3Å | ||
| 730 | Y | 87.6 | Confident | 87.4 | Confident | 114 Ų | 114 | 52.4 Ų | 52.4 | 45% | 0.447 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -73.7 | -31.5 | -177.1 | 179.4 | -127.9 | 0 | 0 | 0 | 113.6 | T672 A733 K734 | T672-Y730 HydrophobicContact CG2-CD2 4.42Å; Y730-A733 PolarHBondContact O-N 2.8Å; Y730-K734 HydrophobicContact CE1-CD 4.39Å; Y730-K734 VanDerWaalsContact CE1-CE 3.46Å; Y730-K734 HydrophobicContact CE2-CG 4.45Å; Y730-K734 WeakPolarHBondContact O-CG 3.29Å; Y730-K734 PolarHBondContact O-N 2.93Å |
| 731 | E | 85.5 | Confident | 88.2 | Confident | 100 Ų | 100 | 52.8 Ų | 52.8 | 47% | 0.467 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -75.3 | -39.8 | 176.4 | -58.6 | -49.9 | 125.5 | 0 | 0 | 110.6 | D729 A733 K734 L735 | D729-E731 WeakPolarHBondContact OD1-CA 3.24Å; D729-E731 PolarHBondContact OD1-N 3.48Å; E731-A733 VanDerWaalsContact C-N 3.3Å; E731-A733 PolarHBondContact O-N 2.99Å; E731-K734 WeakPolarHBondContact O-CB 3.44Å; E731-K734 PolarHBondContact O-N 2.97Å; E731-K734 IonicContact OE1-NZ 3.54Å; E731-K734 PolarHBondContact OE1-NZ 3.42Å; E731-K734 WeakPolarHBondContact OE2-CD 3.37Å; E731-K734 IonicContact OE2-NZ 2.67Å; E731-K734 PolarHBondContact OE2-NZ 2.9Å; E731-L735 VanDerWaalsContact O-CG 3.27Å; E731-L735 WeakPolarHBondContact O-CG 3.13Å; E731-L735 PolarHBondContact O-N 2.9Å |
| 732 | Q | 88 | Confident | 88.3 | Confident | 41 Ų | 41 | 53.2 Ų | 53.2 | 19% | 0.192 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.6 | -37.5 | 169 | -68.4 | -178.4 | 57.9 | 0 | 0 | 111.9 | F695 S697 M727 D729 L735 A736 | F695-Q732 HydrophobicContact CD1-CB 4.36Å; S697-Q732 VanDerWaalsContact N-OE1 3.09Å; S697-Q732 WeakPolarHBondContact OG-CB 3.3Å; S697-Q732 PolarHBondContact OG-OE1 3.47Å; M727-Q732 HydrophobicContact CE-CB 3.93Å; D729-Q732 HydrophobicContact CB-CB 4Å; D729-Q732 HydrophobicContact CB-CG 4.09Å; D729-Q732 PolarHBondContact OD1-N 2.72Å; D729-Q732 PolarHBondContact OD2-NE2 2.84Å; Q732-L735 PolarHBondContact O-N 2.83Å; Q732-A736 WeakPolarHBondContact O-CB 3.34Å; Q732-A736 PolarHBondContact O-N 2.83Å |
| 733 | A | 89.8 | Confident | 88.3 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.5 | -38.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T672 L674 M727 D729 Y730 E731 A736 I737 | T672-A733 HydrophobicContact CG2-CB 3.67Å; L674-A733 HydrophobicContact CD2-CB 4.29Å; M727-A733 HydrophobicContact CB-CB 4.3Å; M727-A733 HydrophobicContact CE-CB 4.35Å; M727-A733 HydrophobicContact SD-CB 4.01Å; D729-A733 WeakPolarHBondContact O-CB 3.19Å; D729-A733 PolarHBondContact O-N 3.3Å; Y730-A733 PolarHBondContact O-N 2.8Å; E731-A733 VanDerWaalsContact C-N 3.3Å; E731-A733 PolarHBondContact O-N 2.99Å; A733-A736 PolarHBondContact O-N 2.8Å; A733-I737 WeakPolarHBondContact O-CG1 3.32Å; A733-I737 PolarHBondContact O-N 3.4Å |
| 734 | K | 87 | Confident | 88.1 | Confident | 84 Ų | 84 | 60 Ų | 60 | 37% | 0.365 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 170 | -76.6 | 161.9 | 166.8 | 169.8 | 0 | 112 | Y730 E731 A736 I737 H738 | Y730-K734 HydrophobicContact CE1-CD 4.39Å; Y730-K734 VanDerWaalsContact CE1-CE 3.46Å; Y730-K734 HydrophobicContact CE2-CG 4.45Å; Y730-K734 WeakPolarHBondContact O-CG 3.29Å; Y730-K734 PolarHBondContact O-N 2.93Å; E731-K734 WeakPolarHBondContact O-CB 3.44Å; E731-K734 PolarHBondContact O-N 2.97Å; E731-K734 IonicContact OE1-NZ 3.54Å; E731-K734 PolarHBondContact OE1-NZ 3.42Å; E731-K734 WeakPolarHBondContact OE2-CD 3.37Å; E731-K734 IonicContact OE2-NZ 2.67Å; E731-K734 PolarHBondContact OE2-NZ 2.9Å; K734-A736 VanDerWaalsContact C-N 3.34Å; K734-I737 PolarHBondContact O-N 2.87Å; K734-H738 WeakPolarHBondContact O-CB 3.33Å; K734-H738 PolarHBondContact O-N 2.81Å |
| 735 | L | 88.8 | Confident | 87.7 | Confident | 81 Ų | 81 | 59.6 Ų | 59.6 | 42% | 0.424 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 178.9 | -67.6 | 167.3 | 0 | 0 | 0 | 111.2 | F695 E731 Q732 H738 Y739 | F695-L735 HydrophobicContact CE1-CB 3.86Å; E731-L735 VanDerWaalsContact O-CG 3.27Å; E731-L735 WeakPolarHBondContact O-CG 3.13Å; E731-L735 PolarHBondContact O-N 2.9Å; Q732-L735 PolarHBondContact O-N 2.83Å; L735-H738 PolarHBondContact O-N 3.17Å; L735-Y739 HydrophobicContact CB-CD2 4.38Å; L735-Y739 HydrophobicContact CB-CE2 4.5Å; L735-Y739 HydrophobicContact CD2-CE2 4.02Å; L735-Y739 VanDerWaalsContact O-CD2 3.24Å; L735-Y739 WeakPolarHBondContact O-CD2 3.35Å; L735-Y739 PolarHBondContact O-N 2.77Å |
| 736 | A | 89.6 | Confident | 87.2 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L674 F692 F695 M727 Q732 A733 K734 H738 L740 | L674-A736 HydrophobicContact CD1-CB 3.88Å; F692-A736 HydrophobicContact CE1-CB 3.99Å; F695-A736 HydrophobicContact CD1-CB 4.18Å; F695-A736 HydrophobicContact CD2-CB 3.97Å; F695-A736 HydrophobicContact CE1-CB 4.04Å; F695-A736 HydrophobicContact CE2-CB 3.82Å; F695-A736 HydrophobicContact CG-CB 4.16Å; F695-A736 VanDerWaalsContact CZ-CA 3.48Å; F695-A736 HydrophobicContact CZ-CB 3.86Å; M727-A736 HydrophobicContact CE-CB 4.11Å; M727-A736 HydrophobicContact SD-CB 4.12Å; Q732-A736 WeakPolarHBondContact O-CB 3.34Å; Q732-A736 PolarHBondContact O-N 2.83Å; A733-A736 PolarHBondContact O-N 2.8Å; K734-A736 VanDerWaalsContact C-N 3.34Å; A736-H738 VanDerWaalsContact C-N 3.35Å; A736-H738 PolarHBondContact O-N 2.86Å; A736-L740 HydrophobicContact CB-CD1 4.44Å; A736-L740 WeakPolarHBondContact O-CB 3.23Å; A736-L740 WeakPolarHBondContact O-CG 3.46Å; A736-L740 PolarHBondContact O-N 2.98Å |
| 737 | I | 89.9 | Confident | 86.6 | Confident | 48 Ų | 48 | 70.8 Ų | 70.8 | 25% | 0.246 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.2 | -48.9 | 170.4 | -68.6 | 163.5 | 0 | 0 | 0 | 110.3 | L674 A733 K734 Y739 N741 V752 K754 | L674-I737 HydrophobicContact CD1-CG1 4.23Å; L674-I737 HydrophobicContact CD2-CD1 3.57Å; L674-I737 HydrophobicContact CD2-CG1 3.62Å; A733-I737 WeakPolarHBondContact O-CG1 3.32Å; A733-I737 PolarHBondContact O-N 3.4Å; K734-I737 PolarHBondContact O-N 2.87Å; I737-Y739 PolarHBondContact O-N 3.47Å; I737-N741 WeakPolarHBondContact O-CB 3.39Å; I737-N741 PolarHBondContact O-N 3.38Å; I737-N741 VanDerWaalsContact O-N 3.12Å; I737-V752 HydrophobicContact CG1-CG1 4.26Å; I737-K754 HydrophobicContact CD1-CB 4.37Å |
| 738 | H | 86.9 | Confident | 86.2 | Confident | 141 Ų | 141 | 72.8 Ų | 72.8 | 65% | 0.653 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.7 | -39.7 | -173.9 | -172.7 | 67.1 | 0 | 0 | 0 | 113.7 | K734 L735 A736 | K734-H738 WeakPolarHBondContact O-CB 3.33Å; K734-H738 PolarHBondContact O-N 2.81Å; L735-H738 PolarHBondContact O-N 3.17Å; A736-H738 VanDerWaalsContact C-N 3.35Å; A736-H738 PolarHBondContact O-N 2.86Å |
| 739 | Y | 86.8 | Confident | 86.1 | Confident | 154 Ų | 154 | 74.3 Ų | 74.3 | 60% | 0.604 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -92 | -25.4 | -176.8 | -70.6 | -61.6 | 0 | 0 | 0 | 114.8 | L735 I737 | L735-Y739 HydrophobicContact CB-CD2 4.38Å; L735-Y739 HydrophobicContact CB-CE2 4.5Å; L735-Y739 HydrophobicContact CD2-CE2 4.02Å; L735-Y739 VanDerWaalsContact O-CD2 3.24Å; L735-Y739 WeakPolarHBondContact O-CD2 3.35Å; L735-Y739 PolarHBondContact O-N 2.77Å; I737-Y739 PolarHBondContact O-N 3.47Å |
| 740 | L | 89.2 | Confident | 86.3 | Confident | 12 Ų | 12 | 71.6 Ų | 71.6 | 6% | 0.063 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -100.6 | -20.2 | -176.8 | -55.9 | 179.8 | 0 | 0 | 0 | 113.6 | L691 F692 F695 A736 G742 Y743 V752 | L691-L740 HydrophobicContact CD1-CD2 3.87Å; L691-L740 HydrophobicContact CD2-CD1 4.41Å; L691-L740 HydrophobicContact CD2-CD2 4.46Å; L691-L740 HydrophobicContact CG-CD1 4.23Å; L691-L740 HydrophobicContact CG-CD2 3.95Å; F692-L740 HydrophobicContact CD1-CD1 4.21Å; F692-L740 HydrophobicContact CD2-CD1 3.88Å; F692-L740 HydrophobicContact CE1-CD1 3.81Å; F692-L740 HydrophobicContact CE2-CD1 3.42Å; F692-L740 VanDerWaalsContact CE2-CD1 3.42Å; F692-L740 HydrophobicContact CG-CD1 4.25Å; F692-L740 HydrophobicContact CZ-CD1 3.4Å; F695-L740 HydrophobicContact CE2-CD1 3.99Å; F695-L740 HydrophobicContact CE2-CG 4.31Å; A736-L740 HydrophobicContact CB-CD1 4.44Å; A736-L740 WeakPolarHBondContact O-CB 3.23Å; A736-L740 WeakPolarHBondContact O-CG 3.46Å; A736-L740 PolarHBondContact O-N 2.98Å; L740-G742 PolarHBondContact O-N 3.3Å; L740-Y743 VanDerWaalsContact O-CB 3.22Å; L740-Y743 WeakPolarHBondContact O-CB 3.06Å; L740-Y743 PolarHBondContact O-N 2.94Å; L740-Y743 VanDerWaalsContact O-N 3.1Å; L740-V752 HydrophobicContact CB-CG2 3.89Å |
| 741 | N | 87.3 | Confident | 86.3 | Confident | 84 Ų | 84 | 71.5 Ų | 71.5 | 45% | 0.449 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 117.3 | 172.8 | -173.8 | 59.1 | 0 | 0 | 0 | 110.3 | I737 K751 V752 | I737-N741 WeakPolarHBondContact O-CB 3.39Å; I737-N741 PolarHBondContact O-N 3.38Å; I737-N741 VanDerWaalsContact O-N 3.12Å; N741-K751 WeakPolarHBondContact OD1-CA 3.38Å; N741-V752 HydrophobicContact CB-CB 4.12Å; N741-V752 PolarHBondContact OD1-N 2.98Å; N741-V752 PolarHBondContact OD1-O 2.81Å |
| 742 | G | 83.9 | Confident | 86.6 | Confident | 45 Ų | 45 | 66.9 Ų | 66.9 | 46% | 0.464 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95 | -4.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L740 L750 | L740-G742 PolarHBondContact O-N 3.3Å; G742-L750 PolarHBondContact N-O 2.89Å |
| 743 | Y | 87.4 | Confident | 86.6 | Confident | 98 Ų | 98 | 66.9 Ų | 66.9 | 38% | 0.384 | 34% | 0.341 | S | S | . | . | trans | -67.8 | 139.3 | 178 | -173.7 | -89.7 | 0 | 0 | 0 | 111.6 | L691 L740 L745 L750 | L691-Y743 HydrophobicContact CD1-CD1 3.83Å; L691-Y743 HydrophobicContact CD1-CE1 3.65Å; L691-Y743 HydrophobicContact CD1-CG 4.4Å; L740-Y743 VanDerWaalsContact O-CB 3.22Å; L740-Y743 WeakPolarHBondContact O-CB 3.06Å; L740-Y743 PolarHBondContact O-N 2.94Å; L740-Y743 VanDerWaalsContact O-N 3.1Å; Y743-L745 HydrophobicContact CD1-CB 4.42Å; Y743-L745 HydrophobicContact CE1-CB 4.49Å; Y743-L750 HydrophobicContact CD1-CD1 4.18Å; Y743-L750 WeakPolarHBondContact O-CB 3.1Å; Y743-L750 WeakPolarHBondContact O-CG 3.32Å; Y743-L750 PolarHBondContact O-N 2.7Å | ||
| 744 | T | 85.3 | Confident | 86.6 | Confident | 97 Ų | 97 | 71.8 Ų | 71.8 | 60% | 0.595 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 112.6 | -179.9 | 39.9 | 0 | 0 | 0 | 0 | 112.6 | R748 V749 | T744-R748 CarbonylContact C-O 3.54Å; T744-R748 VanDerWaalsContact CA-O 3.31Å; T744-R748 WeakPolarHBondContact CA-O 3.48Å; T744-V749 HydrophobicContact CG2-CG2 3.98Å |
| 745 | L | 82.9 | Confident | 86.3 | Confident | 25 Ų | 25 | 69 Ų | 69 | 13% | 0.131 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 128.5 | 176.7 | -172.9 | 72.6 | 0 | 0 | 0 | 109.7 | L679 T683 I687 Y743 N747 R748 L750 | L679-L745 HydrophobicContact CD2-CD2 4.04Å; T683-L745 HydrophobicContact CG2-CD2 4.04Å; I687-L745 HydrophobicContact CG2-CD1 3.96Å; I687-L745 HydrophobicContact CG2-CD2 4.01Å; I687-L745 HydrophobicContact CG2-CG 4.49Å; Y743-L745 HydrophobicContact CD1-CB 4.42Å; Y743-L745 HydrophobicContact CE1-CB 4.49Å; L745-N747 VanDerWaalsContact C-N 3.25Å; L745-N747 PolarHBondContact O-N 3.49Å; L745-N747 VanDerWaalsContact O-N 3.16Å; L745-R748 PolarHBondContact N-O 3.46Å; L745-R748 PolarHBondContact O-N 2.91Å; L745-L750 HydrophobicContact CB-CD1 3.88Å; L745-L750 HydrophobicContact CB-CD2 4.07Å; L745-L750 HydrophobicContact CB-CG 3.95Å; L745-L750 HydrophobicContact CD2-CD1 4.17Å; L745-L750 HydrophobicContact CD2-CD2 4.34Å |
| 746 | Q | 80.4 | Confident | 85.2 | Confident | 75 Ų | 75 | 73.2 Ų | 73.2 | 35% | 0.35 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 45.1 | 178.4 | -66.9 | 171.6 | -63.7 | 0 | 0 | 113.3 | T683 R748 | T683-Q746 PolarHBondContact OG1-OE1 3.12Å; Q746-R748 PolarHBondContact O-N 2.88Å |
| 747 | N | 79.1 | Confident | 83.1 | Confident | 172 Ų | 172 | 80.1 Ų | 80.1 | 92% | 0.92 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 16.3 | -177.1 | -105.6 | 52.6 | 0 | 0 | 0 | 116.4 | L745 | L745-N747 VanDerWaalsContact C-N 3.25Å; L745-N747 PolarHBondContact O-N 3.49Å; L745-N747 VanDerWaalsContact O-N 3.16Å |
| 748 | R | 80.3 | Confident | 80.8 | Confident | 41 Ų | 41 | 84.3 Ų | 84.3 | 16% | 0.155 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 151.9 | 169.4 | -58.1 | -174 | -174.7 | -158.7 | 2.2 | 110.5 | G678 L679 Q719 E720 T744 L745 Q746 | G678-R748 WeakPolarHBondContact O-CB 3.39Å; G678-R748 VanDerWaalsContact O-CD 3.25Å; G678-R748 WeakPolarHBondContact O-CD 3.39Å; L679-R748 PolarHBondContact O-NH1 3.22Å; L679-R748 VanDerWaalsContact O-NH1 3.11Å; Q719-R748 PolarHBondContact O-NH1 3.39Å; Q719-R748 PolarHBondContact O-NH2 2.66Å; Q719-R748 VanDerWaalsContact O-NH2 3.1Å; E720-R748 IonicContact OE1-NH1 3.78Å; T744-R748 CarbonylContact C-O 3.54Å; T744-R748 VanDerWaalsContact CA-O 3.31Å; T744-R748 WeakPolarHBondContact CA-O 3.48Å; L745-R748 PolarHBondContact N-O 3.46Å; L745-R748 PolarHBondContact O-N 2.91Å; Q746-R748 PolarHBondContact O-N 2.88Å |
| 749 | V | 86 | Confident | 78.1 | Confident | 92 Ų | 92 | 85.2 Ų | 85.2 | 56% | 0.558 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 119.7 | 175.7 | -179.9 | 0 | 0 | 0 | 0 | 108.1 | T744 | T744-V749 HydrophobicContact CG2-CG2 3.98Å |
| 750 | L | 90 | Very high | 75.5 | Confident | 0 Ų | 0 | 86.2 Ų | 86.2 | 0% | 0 | 45% | 0.449 | C | S | . | . | trans | -73.9 | 133.4 | 176.5 | -60.4 | -175.7 | 0 | 0 | 0 | 110.4 | I676 L679 L691 G742 Y743 L745 | I676-L750 HydrophobicContact CG2-CD2 4.29Å; L679-L750 HydrophobicContact CD2-CD2 3.59Å; L679-L750 HydrophobicContact CG-CD2 4.1Å; L691-L750 HydrophobicContact CD2-CD1 3.41Å; L691-L750 VanDerWaalsContact CD2-CD1 3.41Å; G742-L750 PolarHBondContact N-O 2.89Å; Y743-L750 HydrophobicContact CD1-CD1 4.18Å; Y743-L750 WeakPolarHBondContact O-CB 3.1Å; Y743-L750 WeakPolarHBondContact O-CG 3.32Å; Y743-L750 PolarHBondContact O-N 2.7Å; L745-L750 HydrophobicContact CB-CD1 3.88Å; L745-L750 HydrophobicContact CB-CD2 4.07Å; L745-L750 HydrophobicContact CB-CG 3.95Å; L745-L750 HydrophobicContact CD2-CD1 4.17Å; L745-L750 HydrophobicContact CD2-CD2 4.34Å | ||
| 751 | K | 89.4 | Confident | 72.5 | Confident | 111 Ų | 111 | 91.9 Ų | 91.9 | 48% | 0.483 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 117.3 | 170.5 | 176.3 | -174.6 | 166.8 | -153.5 | 0 | 108 | I676 E677 N741 | I676-K751 WeakPolarHBondContact CA-O 3.02Å; E677-K751 HydrophobicContact CB-CB 4.32Å; E677-K751 PolarHBondContact N-O 2.99Å; E677-K751 PolarHBondContact O-N 3.23Å; E677-K751 WeakPolarHBondContact OE2-CD 3.43Å; E677-K751 WeakPolarHBondContact OE2-CE 3.17Å; E677-K751 IonicContact OE2-NZ 2.64Å; E677-K751 PolarHBondContact OE2-NZ 2.67Å; N741-K751 WeakPolarHBondContact OD1-CA 3.38Å |
| 752 | V | 90.7 | Very high | 69.7 | Low | 3 Ų | 3 | 91.5 Ų | 91.5 | 2% | 0.018 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 120 | -176.9 | -174.7 | 0 | 0 | 0 | 0 | 108.9 | L674 K675 I676 I737 L740 N741 | L674-V752 HydrophobicContact CD1-CG1 4.2Å; K675-V752 WeakPolarHBondContact O-CA 3.41Å; I676-V752 HydrophobicContact CG1-CG2 4.34Å; I676-V752 HydrophobicContact CG2-CG2 4.31Å; I737-V752 HydrophobicContact CG1-CG1 4.26Å; L740-V752 HydrophobicContact CB-CG2 3.89Å; N741-V752 HydrophobicContact CB-CB 4.12Å; N741-V752 PolarHBondContact OD1-N 2.98Å; N741-V752 PolarHBondContact OD1-O 2.81Å |
| 753 | S | 88.8 | Confident | 67.1 | Low | 42 Ų | 42 | 97.2 Ų | 97.2 | 29% | 0.294 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 163.3 | 178.5 | 76.2 | 0 | 0 | 0 | 0 | 111.3 | L674 K675 | L674-S753 CarbonylContact C-O 3.56Å; L674-S753 WeakPolarHBondContact CA-O 3.18Å; K675-S753 PolarHBondContact N-O 2.94Å; K675-S753 PolarHBondContact O-N 3.33Å |
| 754 | K | 88.5 | Confident | 64.3 | Low | 103 Ų | 103 | 96.7 Ų | 96.7 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 145.7 | 160.5 | -167.5 | 175.9 | -179.4 | -178.4 | 0 | 108.9 | T672 I737 | T672-K754 HydrophobicContact CG2-CG 4.45Å; I737-K754 HydrophobicContact CD1-CB 4.37Å |
| 755 | S | 81.6 | Confident | 61.7 | Low | 25 Ų | 25 | 95.4 Ų | 95.4 | 18% | 0.175 | 49% | 0.492 | C | S | . | . | trans | -90 | 123.6 | 169.3 | -167.7 | 0 | 0 | 0 | 0 | 109.8 | I673 | I673-S755 PolarHBondContact O-N 3.29Š| ||
| 756 | E | 64.9 | Low | 59.3 | Low | 170 Ų | 170 | 99.4 Ų | 99.4 | 79% | 0.794 | 51% | 0.509 | S | S | * | . | trans | -102.3 | -7 | -175.8 | -62.3 | -178.2 | 153.6 | 0 | 0 | 113.1 | I758 | E756-I758 PolarHBondContact O-N 2.95Š| ||
| 757 | N | 45.9 | Very low | 57 | Low | 145 Ų | 145 | 99.4 Ų | 99.4 | 78% | 0.775 | 51% | 0.514 | S | S | * | . | trans | -95 | 91.3 | 178.4 | -87.4 | -93.5 | 0 | 0 | 0 | 111.3 | ||||
| 758 | I | 41.2 | Very low | 54.9 | Low | 135 Ų | 135 | 96.4 Ų | 96.4 | 69% | 0.692 | 49% | 0.494 | S | S | * | . | trans | -108.7 | 75.9 | 170 | -52.7 | 176.4 | 0 | 0 | 0 | 108 | E756 | E756-I758 PolarHBondContact O-N 2.95Š| ||
| 759 | N | 30.4 | Very low | 52.5 | Low | 161 Ų | 161 | 99.3 Ų | 99.3 | 86% | 0.861 | 51% | 0.508 | S | S | * | . | trans | -151.7 | 24.1 | 177.4 | -101.7 | -34.5 | 0 | 0 | 0 | 113.8 | ||||
| 760 | Q | 33.2 | Very low | 49.8 | Very low | 174 Ų | 174 | 102 Ų | 102 | 81% | 0.813 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -128 | 113.7 | 163.1 | -74.3 | -172.2 | 0.4 | 0 | 0 | 109 | T762 | Q760-T762 PolarHBondContact O-N 3.44Å; Q760-T762 PolarHBondContact O-OG1 2.8Å |
| 761 | S | 25.6 | Very low | 47 | Very low | 131 Ų | 131 | 107.6 Ų | 107.6 | 92% | 0.916 | 55% | 0.545 | S | S | * | . | trans | -72.3 | 65.9 | -178.9 | 40.1 | 0 | 0 | 0 | 0 | 112.2 | H763 | S761-H763 PolarHBondContact O-N 2.87Š| ||
| 762 | T | 29.5 | Very low | 44.2 | Very low | 77 Ų | 77 | 108.3 Ų | 108.3 | 47% | 0.472 | 56% | 0.561 | S | S | . | * | trans | -75.7 | 119.5 | 161.4 | 26.9 | 0 | 0 | 0 | 0 | 108.1 | Q760 Y764 | Q760-T762 PolarHBondContact O-N 3.44Å; Q760-T762 PolarHBondContact O-OG1 2.8Å; T762-Y764 VanDerWaalsContact C-N 3.31Å; T762-Y764 WeakPolarHBondContact O-CD2 3.34Å; T762-Y764 PolarHBondContact O-N 2.86Å; T762-Y764 WeakPolarHBondContact OG1-CE2 3.46Å; T762-Y764 PolarHBondContact OG1-OH 3.19Å | ||
| 763 | H | 28.3 | Very low | 41.3 | Very low | 165 Ų | 165 | 113.6 Ų | 113.6 | 76% | 0.764 | 59% | 0.593 | S | S | * | * | trans | -79.9 | 72.5 | -163.4 | -156.2 | -54.7 | 0 | 0 | 0 | 111.6 | S761 | S761-H763 PolarHBondContact O-N 2.87Š| ||
| 764 | Y | 29.6 | Very low | 38.6 | Very low | 86 Ų | 86 | 117.6 Ų | 117.6 | 34% | 0.337 | 61% | 0.611 | S | S | . | * | trans | -66 | 149.8 | -171.2 | -71.4 | -67.9 | 0 | 0 | 0 | 114.6 | T762 | T762-Y764 VanDerWaalsContact C-N 3.31Å; T762-Y764 WeakPolarHBondContact O-CD2 3.34Å; T762-Y764 PolarHBondContact O-N 2.86Å; T762-Y764 WeakPolarHBondContact OG1-CE2 3.46Å; T762-Y764 PolarHBondContact OG1-OH 3.19Å | ||
| 765 | N | 30.7 | Very low | 35.9 | Very low | 71 Ų | 71 | 118.9 Ų | 118.9 | 38% | 0.38 | 63% | 0.628 | S | S | . | * | trans | -117.2 | 76.9 | -156.6 | -156.1 | 14.3 | 0 | 0 | 0 | 111.2 | S165 C166 T767 | S165-N765 PolarHBondContact O-ND2 3.43Å; C166-N765 WeakPolarHBondContact CA-OD1 3.5Å; C166-N765 VanDerWaalsContact CB-OD1 3.29Å; C166-N765 WeakPolarHBondContact CB-OD1 3.27Å; N765-T767 PolarHBondContact O-N 3.33Å | ||
| 766 | F | 31.3 | Very low | 33.6 | Very low | 108 Ų | 108 | 124.4 Ų | 124.4 | 47% | 0.474 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.8 | 44.1 | -165 | -69.6 | -82.2 | 0 | 0 | 0 | 115.6 | N671 L699 V726 | N671-F766 HydrophobicContact CB-CE1 4.27Å; N671-F766 WeakPolarHBondContact ND2-CD1 3.09Å; N671-F766 WeakPolarHBondContact ND2-CE1 3.38Å; L699-F766 HydrophobicContact CD1-CD1 4.28Å; V726-F766 HydrophobicContact CG1-CE1 3.96Å |
| 767 | T | 33.2 | Very low | 31.8 | Very low | 75 Ų | 75 | 124 Ų | 124 | 46% | 0.46 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -148.8 | 23.7 | -172.5 | -21.1 | 0 | 0 | 0 | 0 | 115.5 | N765 | N765-T767 PolarHBondContact O-N 3.33Š|
| 768 | E | 33.9 | Very low | 31.1 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 51% | 0.509 | 68% | 0.675 | S | S | . | * | S | Bend | trans | -107.9 | -21.9 | -177.5 | -171.5 | 149.9 | -162.1 | 0 | 0 | 114.8 | E167 | E167-E768 HydrophobicContact CB-CB 3.73Å; E167-E768 HydrophobicContact CB-CG 3.69Å; E167-E768 VanDerWaalsContact CD-OE1 3.28Å; E167-E768 HydrophobicContact CG-CB 4.35Å; E167-E768 VanDerWaalsContact CG-CD 3.46Å; E167-E768 HydrophobicContact CG-CG 3.74Å; E167-E768 VanDerWaalsContact CG-OE1 3.29Å; E167-E768 WeakPolarHBondContact CG-OE1 3.42Å |
| 769 | F | 30.4 | Very low | 30.6 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 45% | 0.452 | 67% | 0.674 | S | S | . | * | trans | -124.2 | 12.9 | -165.7 | -93.1 | -86.3 | 0 | 0 | 0 | 117.2 | L699 Q771 | L699-F769 VanDerWaalsContact O-CB 3.23Å; L699-F769 WeakPolarHBondContact O-CB 3.19Å; F769-Q771 PolarHBondContact O-N 2.54Å | ||
| 770 | L | 30 | Very low | 30.6 | Very low | 148 Ų | 148 | 125.6 Ų | 125.6 | 78% | 0.775 | 67% | 0.665 | S | S | * | * | trans | -83 | 66.8 | 168.8 | -70.7 | 179.1 | 0 | 0 | 0 | 111.9 | L699 | L699-L770 HydrophobicContact CD2-CD2 3.76Å; L699-L770 HydrophobicContact CD2-CG 4.28Å | ||
| 771 | Q | 29.8 | Very low | 30.5 | Very low | 117 Ų | 117 | 122.9 Ų | 122.9 | 55% | 0.547 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -125.5 | 129.4 | 156.7 | -74.4 | -160.4 | -31.2 | 0 | 0 | 109.5 | F769 T773 | F769-Q771 PolarHBondContact O-N 2.54Å; Q771-T773 PolarHBondContact O-N 2.73Å; Q771-T773 PolarHBondContact O-OG1 2.64Å |
| 772 | P | 30.6 | Very low | 30.7 | Very low | 127 Ų | 127 | 122.4 Ų | 122.4 | 83% | 0.825 | 64% | 0.641 | S | S | * | * | trans | -74.5 | 73.3 | 176.2 | 31.9 | -35.1 | 0 | 0 | 0 | 110.5 | N774 | P772-N774 PolarHBondContact O-N 3.43Š| ||
| 773 | T | 29.5 | Very low | 30.8 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 70% | 0.699 | 65% | 0.652 | S | S | * | * | trans | -76.7 | 68.8 | -178.9 | -51.5 | 0 | 0 | 0 | 0 | 110.6 | Q771 | Q771-T773 PolarHBondContact O-N 2.73Å; Q771-T773 PolarHBondContact O-OG1 2.64Å | ||
| 774 | N | 33.4 | Very low | 31 | Very low | 125 Ų | 125 | 122.6 Ų | 122.6 | 67% | 0.668 | 64% | 0.644 | S | S | * | * | trans | -162.1 | 46.5 | 166 | -100.1 | -27.9 | 0 | 0 | 0 | 113.9 | P772 | P772-N774 PolarHBondContact O-N 3.43Š| ||
| 775 | T | 30.8 | Very low | 31.1 | Very low | 130 Ų | 130 | 125.2 Ų | 125.2 | 80% | 0.798 | 67% | 0.666 | S | S | * | * | trans | -106 | 63.8 | 156.8 | -49.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 776 | I | 33.9 | Very low | 31.1 | Very low | 141 Ų | 141 | 129.4 Ų | 129.4 | 72% | 0.723 | 69% | 0.688 | S | S | * | * | trans | -84 | 111.5 | 161.9 | -65 | -178.9 | 0 | 0 | 0 | 106.3 | L778 | I776-L778 PolarHBondContact O-N 3.22Š| ||
| 777 | L | 27 | Very low | 31.1 | Very low | 161 Ų | 161 | 131.2 Ų | 131.2 | 84% | 0.843 | 71% | 0.706 | S | S | * | * | trans | -90.4 | 103.9 | -177.1 | -164.1 | 158.9 | 0 | 0 | 0 | 108.6 | ||||
| 778 | L | 30.8 | Very low | 30.9 | Very low | 224 Ų | 224 | 136.3 Ų | 136.3 | 100% | 1.173 | 73% | 0.728 | S | S | * | * | trans | -148.8 | 0 | 177.7 | -109.6 | 169.7 | 0 | 0 | 0 | 110 | I776 | I776-L778 PolarHBondContact O-N 3.22Š|
Retrieved 778 of 778 residues in 862 ms
(Link to these results)