| 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 | N | 41.6 | Very low | 28.9 | Very low | 218 Ų | 218 | 125.9 Ų | 125.9 | 100% | 1.166 | 82% | 0.822 | S | S | * | * | 0 | 97.1 | 0 | -61 | 4 | 0 | 0 | 0 | 108.2 | |||||
| 2 | S | 27.1 | Very low | 28.9 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | trans | -109.4 | 137.2 | -171.9 | -56.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 3 | A | 30.6 | Very low | 28.6 | Very low | 100 Ų | 100 | 130.8 Ų | 130.8 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | trans | 34.7 | 135.5 | 151.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 4 | C | 27.9 | Very low | 28.4 | Very low | 109 Ų | 109 | 130.1 Ų | 130.1 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | 164.7 | 176.9 | 60.8 | -159.8 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 5 | L | 28.3 | Very low | 28.2 | Very low | 149 Ų | 149 | 130 Ų | 130 | 78% | 0.78 | 81% | 0.808 | S | S | * | * | trans | 72.9 | 151.5 | 163.9 | -54.5 | 173.8 | 0 | 0 | 0 | 117.9 | ||||
| 6 | M | 29.8 | Very low | 28.2 | Very low | 166 Ų | 166 | 134.1 Ų | 134.1 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | cis | -170.4 | 153.9 | -36.6 | -114 | -63.5 | -147.9 | 0 | 0 | 109.1 | ||||
| 7 | A | 26.1 | Very low | 28.1 | Very low | 78 Ų | 78 | 133 Ų | 133 | 65% | 0.645 | 82% | 0.817 | S | S | * | * | trans | 37.5 | 106.7 | 148.5 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 8 | S | 27.1 | Very low | 28 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | 40.6 | 124.7 | 122.9 | 62.1 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 9 | S | 27 | Very low | 27.8 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | trans | -162.1 | 162.5 | 152.1 | 55.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 10 | A | 26.9 | Very low | 27.9 | Very low | 90 Ų | 90 | 136.3 Ų | 136.3 | 74% | 0.744 | 83% | 0.828 | S | S | * | * | cis | -164.8 | 177.5 | -25.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 11 | S | 26 | Very low | 27.9 | Very low | 112 Ų | 112 | 137 Ų | 137 | 78% | 0.783 | 83% | 0.832 | S | S | * | * | trans | 71.1 | 154.9 | 168.4 | -60.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 12 | L | 28.5 | Very low | 27 | Very low | 148 Ų | 148 | 129.8 Ų | 129.8 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | cis | 179.1 | 157.3 | -38.7 | -117.9 | 162.9 | 0 | 0 | 0 | 105.9 | ||||
| 13 | E | 25.1 | Very low | 27.7 | Very low | 167 Ų | 167 | 130.3 Ų | 130.3 | 78% | 0.78 | 81% | 0.81 | S | S | * | * | trans | -56.5 | 159.3 | -169.2 | -57.9 | 157.3 | 139.9 | 0 | 0 | 116.5 | ||||
| 14 | T | 25.6 | Very low | 27.4 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | 162 | 115.7 | 114.2 | -69.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 15 | V | 25.6 | Very low | 27.2 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | trans | 44.9 | 125.6 | 142 | -177.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 16 | M | 28.7 | Very low | 27 | Very low | 195 Ų | 195 | 127.6 Ų | 127.6 | 96% | 0.961 | 82% | 0.817 | S | S | * | * | -160.4 | 145.9 | 120 | -105.2 | -172.4 | -163.9 | 0 | 0 | 112.9 | |||||
| 17 | S | 26 | Very low | 27.4 | Very low | 116 Ų | 116 | 124.6 Ų | 124.6 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | -145.1 | 132.4 | 179.4 | 175 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 18 | C | 25.8 | Very low | 27.5 | Very low | 138 Ų | 138 | 130.1 Ų | 130.1 | 93% | 0.932 | 82% | 0.819 | S | S | * | * | trans | -165.5 | 150.2 | 167.6 | -91.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 19 | G | 24.7 | Very low | 27.5 | Very low | 77 Ų | 77 | 129 Ų | 129 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | cis | 179.3 | 152.6 | -3.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 20 | R | 29 | Very low | 27.4 | Very low | 250 Ų | 250 | 130.5 Ų | 130.5 | 94% | 0.943 | 81% | 0.809 | S | S | * | * | trans | -96.3 | 148 | -175.8 | -71.3 | 176.5 | 169.6 | -177.1 | -2.9 | 113 | ||||
| 21 | T | 28.1 | Very low | 27.3 | Very low | 150 Ų | 150 | 129.7 Ų | 129.7 | 92% | 0.92 | 80% | 0.802 | S | S | * | * | trans | -151.7 | 150.7 | 140.3 | 42.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 22 | G | 24.1 | Very low | 27.1 | Very low | 68 Ų | 68 | 132.9 Ų | 132.9 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | trans | -112.8 | -155.4 | 165 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 23 | P | 40 | Very low | 26.9 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | cis | -146.6 | -172.2 | 16.9 | 43.6 | -23.7 | 0 | 0 | 0 | 117.7 | ||||
| 24 | S | 24.9 | Very low | 27 | Very low | 130 Ų | 130 | 130.7 Ų | 130.7 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | 86.2 | 132.6 | 149.6 | -152.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 25 | G | 23.9 | Very low | 27 | Very low | 78 Ų | 78 | 131.6 Ų | 131.6 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | 141.4 | 58.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 26 | A | 23.8 | Very low | 27 | Very low | 94 Ų | 94 | 135.8 Ų | 135.8 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | trans | -96.6 | 175.7 | 170 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 27 | P | 39.1 | Very low | 26.8 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 66% | 0.662 | 80% | 0.797 | S | S | * | * | cis | -154.7 | -176.8 | 20.4 | 46.4 | -25.2 | 0 | 0 | 0 | 119.9 | ||||
| 28 | K | 28.6 | Very low | 26.7 | Very low | 194 Ų | 194 | 136.3 Ų | 136.3 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | 83.3 | 132.8 | 157.5 | -61.7 | 171.7 | -166.5 | 179.2 | 0 | 118.3 | ||||
| 29 | S | 25.5 | Very low | 26.8 | Very low | 95 Ų | 95 | 134.2 Ų | 134.2 | 66% | 0.664 | 79% | 0.785 | S | S | * | * | cis | -164.7 | 136.4 | -3.3 | 45.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 30 | L | 26.2 | Very low | 26.8 | Very low | 156 Ų | 156 | 140.5 Ų | 140.5 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | trans | 60.4 | 119.8 | 139.7 | -57.9 | 171.2 | 0 | 0 | 0 | 118.6 | ||||
| 31 | A | 23.2 | Very low | 26.5 | Very low | 73 Ų | 73 | 133.4 Ų | 133.4 | 60% | 0.603 | 78% | 0.779 | S | S | * | * | cis | 63.3 | 139 | 20.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 32 | F | 23.3 | Very low | 26.4 | Very low | 179 Ų | 179 | 131.2 Ų | 131.2 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | cis | -138.7 | 152 | 14.2 | -86.6 | -94.6 | 0 | 0 | 0 | 109.4 | ||||
| 33 | S | 24.9 | Very low | 26.5 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | 51.4 | 136.6 | 81.7 | -39.5 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 34 | I | 26.3 | Very low | 26.2 | Very low | 171 Ų | 171 | 135.3 Ų | 135.3 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | -177.4 | 153.5 | 122.4 | -93.2 | 157.1 | 0 | 0 | 0 | 111.9 | |||||
| 35 | D | 25.4 | Very low | 26.2 | Very low | 141 Ų | 141 | 140.5 Ų | 140.5 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | -86.4 | 148.3 | -175.4 | -111.3 | -54.5 | 0 | 0 | 0 | 114.8 | ||||
| 36 | R | 25.5 | Very low | 26.2 | Very low | 215 Ų | 215 | 142.4 Ų | 142.4 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | 45.9 | 122.5 | 127.9 | -156.4 | -159.1 | 175.7 | 156.7 | -5.1 | 120.8 | |||||
| 37 | I | 24.9 | Very low | 26.2 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | 173.4 | 157.4 | 111.9 | -86.5 | 177.2 | 0 | 0 | 0 | 111.3 | |||||
| 38 | M | 24.2 | Very low | 25.5 | Very low | 169 Ų | 169 | 140.9 Ų | 140.9 | 83% | 0.833 | 77% | 0.772 | S | S | * | * | trans | -75.4 | 156.4 | -169.6 | -51.9 | 175.4 | 172.6 | 0 | 0 | 116.4 | ||||
| 39 | S | 26.6 | Very low | 25.3 | Very low | 95 Ų | 95 | 140.7 Ų | 140.7 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | 157.9 | 128 | 101.8 | -76.6 | 0 | 0 | 0 | 0 | 116 | |||||
| 40 | K | 25.9 | Very low | 25.3 | Very low | 208 Ų | 208 | 144.8 Ų | 144.8 | 90% | 0.904 | 78% | 0.783 | S | S | * | * | trans | 62.7 | 160.6 | 154.1 | -57.6 | 175.5 | 179.3 | 177.3 | 0 | 115.4 | ||||
| 41 | S | 22.2 | Very low | 25.2 | Very low | 101 Ų | 101 | 147 Ų | 147 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | cis | -151.8 | 172.9 | 9.9 | 53.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 42 | S | 26.4 | Very low | 25.3 | Very low | 104 Ų | 104 | 149.4 Ų | 149.4 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | 63.1 | 109.1 | 143.1 | 56.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 43 | E | 25.4 | Very low | 25.4 | Very low | 183 Ų | 183 | 149.4 Ų | 149.4 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -47 | 161.6 | 135 | -85.6 | -176.6 | -171.5 | 0 | 0 | 112.5 | ||||
| 44 | P | 33.3 | Very low | 25.5 | Very low | 101 Ų | 101 | 148.2 Ų | 148.2 | 66% | 0.656 | 80% | 0.798 | S | S | * | * | cis | -155.3 | 171.6 | 45.7 | 43.1 | -22.6 | 0 | 0 | 0 | 120.2 | ||||
| 45 | R | 25.8 | Very low | 25.7 | Very low | 240 Ų | 240 | 149.3 Ų | 149.3 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | trans | 61.9 | 158.6 | 151.5 | -77.9 | 172.5 | 178.8 | -174.9 | -1.6 | 116.8 | ||||
| 46 | S | 23.8 | Very low | 25.6 | Very low | 117 Ų | 117 | 151.8 Ų | 151.8 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | cis | -169.5 | 166.3 | -1 | 37.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 47 | G | 24.5 | Very low | 25.6 | Very low | 74 Ų | 74 | 148.1 Ų | 148.1 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | trans | 95.9 | 120.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 48 | A | 23.8 | Very low | 25.6 | Very low | 90 Ų | 90 | 148.7 Ų | 148.7 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | cis | 95.2 | 110.2 | 40 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 49 | E | 24.9 | Very low | 25.4 | Very low | 190 Ų | 190 | 143.8 Ų | 143.8 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | 63.2 | 159 | 158.4 | -63.7 | 170.3 | 139 | 0 | 0 | 115.6 | ||||
| 50 | E | 24.4 | Very low | 25.3 | Very low | 181 Ų | 181 | 147.7 Ų | 147.7 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | cis | -147.4 | -166.6 | 16.1 | -147.7 | -168.6 | 139.3 | 0 | 0 | 112.5 | ||||
| 51 | R | 24.2 | Very low | 25.1 | Very low | 203 Ų | 203 | 144 Ų | 144 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | trans | -104.7 | 153.4 | -162 | 175.8 | -169.8 | -167 | 159.1 | 0.6 | 111.4 | ||||
| 52 | S | 25.9 | Very low | 25 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -174.5 | 154.2 | 142.6 | 37.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 53 | E | 25.6 | Very low | 25.2 | Very low | 180 Ų | 180 | 145.4 Ų | 145.4 | 84% | 0.841 | 81% | 0.812 | S | S | * | * | trans | -109.2 | 155.1 | -170.9 | -58.6 | 168.5 | 129.2 | 0 | 0 | 112.4 | ||||
| 54 | G | 25.7 | Very low | 25.2 | Very low | 74 Ų | 74 | 143.8 Ų | 143.8 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | trans | -153.3 | 51.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 55 | K | 30.4 | Very low | 24.7 | Very low | 193 Ų | 193 | 145.2 Ų | 145.2 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | trans | 35.9 | 121.4 | 145.3 | -60.7 | 170 | -177.2 | 169 | 0 | 121.6 | ||||
| 56 | K | 24.7 | Very low | 24.5 | Very low | 194 Ų | 194 | 139.2 Ų | 139.2 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | 64.1 | 141.3 | 129.3 | -78.1 | -178.2 | -179.1 | -176.1 | 0 | 119.2 | |||||
| 57 | L | 24.8 | Very low | 24.4 | Very low | 137 Ų | 137 | 142 Ų | 142 | 72% | 0.717 | 81% | 0.812 | S | S | * | * | cis | -155.9 | 166.8 | 19.2 | -94.4 | 136.1 | 0 | 0 | 0 | 111.4 | ||||
| 58 | L | 24.4 | Very low | 24.4 | Very low | 166 Ų | 166 | 146 Ų | 146 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | trans | 25.4 | 139.4 | 149.6 | -50.8 | 170.2 | 0 | 0 | 0 | 120.4 | ||||
| 59 | G | 21.3 | Very low | 24.5 | Very low | 66 Ų | 66 | 146.8 Ų | 146.8 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | cis | 160.3 | 168.5 | 3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 60 | L | 23.1 | Very low | 24.4 | Very low | 177 Ų | 177 | 146.3 Ų | 146.3 | 93% | 0.927 | 81% | 0.814 | S | S | * | * | trans | 89.6 | 150.9 | 176.8 | -59.4 | 168.7 | 0 | 0 | 0 | 119.4 | ||||
| 61 | C | 21.5 | Very low | 24.4 | Very low | 130 Ų | 130 | 145 Ų | 145 | 88% | 0.878 | 81% | 0.809 | S | S | * | * | trans | 79.1 | 107.8 | 174.5 | -65.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 62 | S | 21.5 | Very low | 24.6 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | -117.7 | 168 | 156.2 | -62.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 63 | P | 31.2 | Very low | 24.6 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | cis | -132.2 | 135.5 | -9.1 | 33.3 | -14.6 | 0 | 0 | 0 | 114.3 | ||||
| 64 | I | 24 | Very low | 24.8 | Very low | 149 Ų | 149 | 140 Ų | 140 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | trans | -137.7 | 116.1 | 157.5 | -57.3 | -179.4 | 0 | 0 | 0 | 108.9 | C66 | I64-C66 PolarHBondContact O-N 3.32Š| ||
| 65 | P | 23 | Very low | 25.1 | Very low | 131 Ų | 131 | 145.6 Ų | 145.6 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | -86.2 | 96.9 | -178.3 | 32.5 | -32.1 | 0 | 0 | 0 | 111.5 | ||||
| 66 | C | 21.5 | Very low | 25.1 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | -101.4 | 132.5 | 167.4 | -64.9 | 0 | 0 | 0 | 0 | 110.3 | I64 | I64-C66 PolarHBondContact O-N 3.32Š| ||
| 67 | M | 22.7 | Very low | 25.5 | Very low | 176 Ų | 176 | 139.8 Ų | 139.8 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | trans | -41 | 156.4 | -178.7 | -60.3 | -74.9 | -173 | 0 | 0 | 117 | ||||
| 68 | I | 23.1 | Very low | 25.9 | Very low | 159 Ų | 159 | 139.6 Ų | 139.6 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | 172.1 | 172.8 | 114.2 | -69.5 | 149.1 | 0 | 0 | 0 | 105.6 | |||||
| 69 | P | 27.2 | Very low | 26.2 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | -111.8 | 122.4 | -98.8 | 38.6 | -16.4 | 0 | 0 | 0 | 115.4 | Q71 | P69-Q71 PolarHBondContact O-N 2.93Š| |||
| 70 | L | 22.9 | Very low | 26.8 | Very low | 180 Ų | 180 | 137.8 Ų | 137.8 | 94% | 0.942 | 76% | 0.756 | S | S | * | * | trans | -82.9 | 121.1 | 169.9 | -72.1 | 178.5 | 0 | 0 | 0 | 112.2 | ||||
| 71 | Q | 23.5 | Very low | 27.2 | Very low | 155 Ų | 155 | 132 Ų | 132 | 72% | 0.724 | 73% | 0.734 | S | S | * | * | trans | -70.9 | 147.4 | 175.1 | -71.8 | -152.9 | -23.8 | 0 | 0 | 112.4 | P69 F73 | P69-Q71 PolarHBondContact O-N 2.93Å; Q71-F73 PolarHBondContact O-N 2.84Å | ||
| 72 | P | 27.9 | Very low | 27.8 | Very low | 132 Ų | 132 | 132 Ų | 132 | 86% | 0.857 | 72% | 0.724 | S | S | * | * | trans | -82.8 | 98.2 | -179 | 33 | -33.7 | 0 | 0 | 0 | 111.7 | ||||
| 73 | F | 25.7 | Very low | 28.4 | Very low | 175 Ų | 175 | 132.2 Ų | 132.2 | 77% | 0.768 | 71% | 0.713 | S | S | * | * | trans | -104.5 | 153.6 | 166.1 | -97.6 | -89 | 0 | 0 | 0 | 112.4 | Q71 | Q71-F73 PolarHBondContact O-N 2.84Š| ||
| 74 | S | 31 | Very low | 28.6 | Very low | 92 Ų | 92 | 132 Ų | 132 | 64% | 0.643 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 92.9 | -7.3 | 167.8 | 79.5 | 0 | 0 | 0 | 0 | 121.5 | ||
| 75 | Y | 31.5 | Very low | 29 | Very low | 192 Ų | 192 | 133 Ų | 133 | 75% | 0.753 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -79.3 | -23.2 | 172.8 | -81 | -78.9 | 0 | 0 | 0 | 115 | L77 A79 | Y75-L77 PolarHBondContact O-N 3.4Å; Y75-A79 PolarHBondContact O-N 2.9Å |
| 76 | D | 30.8 | Very low | 29.5 | Very low | 124 Ų | 124 | 128.3 Ų | 128.3 | 66% | 0.663 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -73.6 | -24.1 | -180 | -86.8 | -34.5 | 0 | 0 | 0 | 114.5 | K80 | D76-K80 WeakPolarHBondContact O-CG 3.33Å; D76-K80 PolarHBondContact O-N 3.18Å |
| 77 | L | 31.9 | Very low | 30.1 | Very low | 141 Ų | 141 | 127.2 Ų | 127.2 | 74% | 0.738 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71.8 | -40.6 | -179.4 | -124.2 | 75.6 | 0 | 0 | 0 | 111.6 | Y75 K80 A81 | Y75-L77 PolarHBondContact O-N 3.4Å; L77-K80 PolarHBondContact O-N 3.09Å; L77-A81 PolarHBondContact O-N 3.24Å; L77-A81 VanDerWaalsContact O-N 3.12Å |
| 78 | Q | 33.2 | Very low | 30.7 | Very low | 133 Ų | 133 | 124.3 Ų | 124.3 | 62% | 0.621 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69.3 | -36.6 | 174.3 | -71.7 | -178.5 | -9.3 | 0 | 0 | 111.8 | A81 L82 | Q78-A81 PolarHBondContact O-N 3.32Å; Q78-L82 PolarHBondContact O-N 2.75Å |
| 79 | A | 32.5 | Very low | 31.2 | Very low | 46 Ų | 46 | 125.1 Ų | 125.1 | 38% | 0.38 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -62.4 | -43.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y75 L82 M83 | Y75-A79 PolarHBondContact O-N 2.9Å; A79-L82 PolarHBondContact O-N 3.4Å; A79-M83 VanDerWaalsContact O-CG 3.3Å; A79-M83 WeakPolarHBondContact O-CG 3.31Å; A79-M83 PolarHBondContact O-N 3.34Å |
| 80 | K | 33.5 | Very low | 31.5 | Very low | 149 Ų | 149 | 125.9 Ų | 125.9 | 65% | 0.648 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.4 | -38.9 | 175.1 | -76.5 | 178 | 177.3 | 176.5 | 0 | 112.8 | D76 L77 M83 N84 | D76-K80 WeakPolarHBondContact O-CG 3.33Å; D76-K80 PolarHBondContact O-N 3.18Å; L77-K80 PolarHBondContact O-N 3.09Å; K80-M83 PolarHBondContact O-N 3.02Å; K80-N84 PolarHBondContact O-N 2.91Å; K80-N84 VanDerWaalsContact O-N 3.12Å |
| 81 | A | 31.6 | Very low | 31.9 | Very low | 56 Ų | 56 | 120 Ų | 120 | 46% | 0.463 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.3 | -42.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L77 Q78 N84 Y85 | L77-A81 PolarHBondContact O-N 3.24Å; L77-A81 VanDerWaalsContact O-N 3.12Å; Q78-A81 PolarHBondContact O-N 3.32Å; A81-N84 PolarHBondContact O-N 3.06Å; A81-Y85 PolarHBondContact O-N 3.29Å; A81-Y85 VanDerWaalsContact O-N 3.11Å |
| 82 | L | 34.4 | Very low | 32.5 | Very low | 128 Ų | 128 | 116.7 Ų | 116.7 | 67% | 0.67 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69.2 | -36.3 | 177.8 | -73.6 | 167.8 | 0 | 0 | 0 | 112.9 | Q78 A79 Y85 S86 | Q78-L82 PolarHBondContact O-N 2.75Å; A79-L82 PolarHBondContact O-N 3.4Å; L82-Y85 PolarHBondContact O-N 2.89Å; L82-S86 PolarHBondContact O-N 3.31Å |
| 83 | M | 33 | Very low | 32.8 | Very low | 125 Ų | 125 | 116.2 Ų | 116.2 | 62% | 0.616 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.7 | -43.8 | 174.7 | -70.7 | -68.3 | -79.1 | 0 | 0 | 111.4 | A79 K80 Y85 S86 E87 | A79-M83 VanDerWaalsContact O-CG 3.3Å; A79-M83 WeakPolarHBondContact O-CG 3.31Å; A79-M83 PolarHBondContact O-N 3.34Å; K80-M83 PolarHBondContact O-N 3.02Å; M83-Y85 VanDerWaalsContact C-N 3.33Å; M83-Y85 PolarHBondContact O-N 3.11Å; M83-S86 PolarHBondContact O-N 3.03Å; M83-S86 VanDerWaalsContact O-N 3.11Å; M83-S86 PolarHBondContact O-OG 2.79Å; M83-E87 PolarHBondContact O-N 3.29Å |
| 84 | N | 35.8 | Very low | 33.2 | Very low | 111 Ų | 111 | 117 Ų | 117 | 59% | 0.594 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -60.1 | -39.1 | 173.3 | -84.4 | 1.7 | 0 | 0 | 0 | 112.6 | K80 A81 S86 E87 L88 | K80-N84 PolarHBondContact O-N 2.91Å; K80-N84 VanDerWaalsContact O-N 3.12Å; A81-N84 PolarHBondContact O-N 3.06Å; N84-S86 VanDerWaalsContact C-N 3.31Å; N84-S86 PolarHBondContact O-N 3.16Å; N84-E87 PolarHBondContact O-N 2.97Å; N84-L88 WeakPolarHBondContact O-CB 3.37Å; N84-L88 WeakPolarHBondContact O-CG 3.39Å; N84-L88 PolarHBondContact O-N 2.86Å |
| 85 | Y | 32 | Very low | 33.5 | Very low | 170 Ų | 170 | 115.7 Ų | 115.7 | 67% | 0.667 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.7 | -39.2 | 173.9 | -118.5 | -88.6 | 0 | 0 | 0 | 112.2 | A81 L82 M83 W89 | A81-Y85 PolarHBondContact O-N 3.29Å; A81-Y85 VanDerWaalsContact O-N 3.11Å; L82-Y85 PolarHBondContact O-N 2.89Å; M83-Y85 VanDerWaalsContact C-N 3.33Å; M83-Y85 PolarHBondContact O-N 3.11Å; Y85-W89 PolarHBondContact O-N 3.14Å |
| 86 | S | 34.3 | Very low | 33.7 | Very low | 32 Ų | 32 | 111.2 Ų | 111.2 | 22% | 0.224 | 58% | 0.577 | C | S | . | * | H | α-helix | trans | -69.8 | -34.2 | 177.1 | 83.4 | 0 | 0 | 0 | 0 | 113.2 | L82 M83 N84 W89 R90 | L82-S86 PolarHBondContact O-N 3.31Å; M83-S86 PolarHBondContact O-N 3.03Å; M83-S86 VanDerWaalsContact O-N 3.11Å; M83-S86 PolarHBondContact O-OG 2.79Å; N84-S86 VanDerWaalsContact C-N 3.31Å; N84-S86 PolarHBondContact O-N 3.16Å; S86-W89 PolarHBondContact O-N 3.24Å; S86-R90 WeakPolarHBondContact O-CG 3.3Å; S86-R90 PolarHBondContact O-N 3.1Å; S86-R90 PolarHBondContact OG-NH1 3.37Å |
| 87 | E | 32.4 | Very low | 33.6 | Very low | 91 Ų | 91 | 115.2 Ų | 115.2 | 43% | 0.425 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -75 | -35.8 | 174.7 | -72.7 | -53.6 | 124.8 | 0 | 0 | 112.4 | M83 N84 W89 R90 A91 | M83-E87 PolarHBondContact O-N 3.29Å; N84-E87 PolarHBondContact O-N 2.97Å; E87-W89 VanDerWaalsContact C-N 3.31Å; E87-W89 PolarHBondContact O-N 3.4Å; E87-R90 CarbonylContact O-C 3.53Å; E87-R90 PolarHBondContact O-N 3.16Å; E87-R90 WeakPolarHBondContact OE1-CD 3.48Å; E87-R90 IonicContact OE1-CZ 3.18Å; E87-R90 IonicContact OE1-NE 3.53Å; E87-R90 IonicContact OE1-NH1 2.79Å; E87-R90 PolarHBondContact OE1-NH1 3.16Å; E87-A91 VanDerWaalsContact O-CB 3.29Å; E87-A91 WeakPolarHBondContact O-CB 3.21Å; E87-A91 PolarHBondContact O-N 3.33Å |
| 88 | L | 35.8 | Very low | 33.4 | Very low | 114 Ų | 114 | 115 Ų | 115 | 60% | 0.597 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.4 | -39.4 | 169.2 | -76.1 | 164.8 | 0 | 0 | 0 | 111.5 | N84 A91 S92 | N84-L88 WeakPolarHBondContact O-CB 3.37Å; N84-L88 WeakPolarHBondContact O-CG 3.39Å; N84-L88 PolarHBondContact O-N 2.86Å; L88-A91 PolarHBondContact O-N 3.31Å; L88-S92 PolarHBondContact O-N 3.43Å; L88-S92 PolarHBondContact O-OG 2.88Å |
| 89 | W | 33.7 | Very low | 33.3 | Very low | 176 Ų | 176 | 111.6 Ų | 111.6 | 67% | 0.667 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.6 | -42.5 | 172.4 | -115.9 | 74.5 | 0 | 0 | 0 | 112.9 | Y85 S86 E87 A91 S92 L93 | Y85-W89 PolarHBondContact O-N 3.14Å; S86-W89 PolarHBondContact O-N 3.24Å; E87-W89 VanDerWaalsContact C-N 3.31Å; E87-W89 PolarHBondContact O-N 3.4Å; W89-A91 VanDerWaalsContact C-N 3.3Å; W89-A91 PolarHBondContact O-N 2.95Å; W89-S92 PolarHBondContact O-N 3.4Å; W89-L93 HydrophobicContact CE3-CD1 3.89Å; W89-L93 HydrophobicContact CZ3-CD1 4.11Å; W89-L93 PolarHBondContact O-N 3.3Å; W89-L93 VanDerWaalsContact O-N 3.15Å |
| 90 | R | 33 | Very low | 33.3 | Very low | 121 Ų | 121 | 115.1 Ų | 115.1 | 46% | 0.457 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -70.8 | -22.1 | 174.6 | -71.3 | -179.6 | -167.7 | 99.8 | 14.6 | 113.5 | S86 E87 R94 | S86-R90 WeakPolarHBondContact O-CG 3.3Å; S86-R90 PolarHBondContact O-N 3.1Å; S86-R90 PolarHBondContact OG-NH1 3.37Å; E87-R90 CarbonylContact O-C 3.53Å; E87-R90 PolarHBondContact O-N 3.16Å; E87-R90 WeakPolarHBondContact OE1-CD 3.48Å; E87-R90 IonicContact OE1-CZ 3.18Å; E87-R90 IonicContact OE1-NE 3.53Å; E87-R90 IonicContact OE1-NH1 2.79Å; E87-R90 PolarHBondContact OE1-NH1 3.16Å; R90-R94 PolarHBondContact O-N 2.96Å; R90-R94 PolarHBondContact O-NE 2.89Å |
| 91 | A | 32 | Very low | 33.6 | Very low | 56 Ų | 56 | 114.7 Ų | 114.7 | 46% | 0.463 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -77.1 | -46.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | E87 L88 W89 L93 R94 G95 | E87-A91 VanDerWaalsContact O-CB 3.29Å; E87-A91 WeakPolarHBondContact O-CB 3.21Å; E87-A91 PolarHBondContact O-N 3.33Å; L88-A91 PolarHBondContact O-N 3.31Å; W89-A91 VanDerWaalsContact C-N 3.3Å; W89-A91 PolarHBondContact O-N 2.95Å; A91-L93 VanDerWaalsContact C-N 3.3Å; A91-L93 PolarHBondContact O-N 3.27Å; A91-R94 PolarHBondContact O-N 2.89Å; A91-G95 PolarHBondContact O-N 3.43Å |
| 92 | S | 36.1 | Very low | 34.1 | Very low | 86 Ų | 86 | 117 Ų | 117 | 60% | 0.601 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -56.9 | -41.4 | 174.5 | -65.5 | 0 | 0 | 0 | 0 | 112.5 | L88 W89 R94 G95 | L88-S92 PolarHBondContact O-N 3.43Å; L88-S92 PolarHBondContact O-OG 2.88Å; W89-S92 PolarHBondContact O-N 3.4Å; S92-R94 VanDerWaalsContact C-N 3.3Å; S92-R94 PolarHBondContact O-N 3.31Å; S92-G95 PolarHBondContact O-N 2.8Å |
| 93 | L | 33.8 | Very low | 34.1 | Very low | 123 Ų | 123 | 115.1 Ų | 115.1 | 64% | 0.644 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -12.4 | 177.1 | -75.5 | 167.5 | 0 | 0 | 0 | 114.7 | W89 A91 | W89-L93 HydrophobicContact CE3-CD1 3.89Å; W89-L93 HydrophobicContact CZ3-CD1 4.11Å; W89-L93 PolarHBondContact O-N 3.3Å; W89-L93 VanDerWaalsContact O-N 3.15Å; A91-L93 VanDerWaalsContact C-N 3.3Å; A91-L93 PolarHBondContact O-N 3.27Å |
| 94 | R | 34 | Very low | 34.3 | Very low | 192 Ų | 192 | 115.1 Ų | 115.1 | 73% | 0.725 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -4.9 | 172.6 | -86.3 | -174 | -93.6 | -141.5 | 5.6 | 113.5 | R90 A91 S92 | R90-R94 PolarHBondContact O-N 2.96Å; R90-R94 PolarHBondContact O-NE 2.89Å; A91-R94 PolarHBondContact O-N 2.89Å; S92-R94 VanDerWaalsContact C-N 3.3Å; S92-R94 PolarHBondContact O-N 3.31Å |
| 95 | G | 37.8 | Very low | 34.2 | Very low | 63 Ų | 63 | 114.8 Ų | 114.8 | 65% | 0.649 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -103.1 | -11.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | A91 S92 | A91-G95 PolarHBondContact O-N 3.43Å; S92-G95 PolarHBondContact O-N 2.8Å |
| 96 | T | 35.8 | Very low | 34.7 | Very low | 99 Ų | 99 | 116.3 Ų | 116.3 | 61% | 0.607 | 68% | 0.677 | S | S | * | * | trans | -142.6 | 105.6 | -170.5 | 42.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 97 | F | 29.9 | Very low | 35.1 | Very low | 208 Ų | 208 | 118 Ų | 118 | 91% | 0.912 | 70% | 0.699 | S | S | * | * | trans | 178.6 | 75.3 | 130.3 | -94 | -62.6 | 0 | 0 | 0 | 109.5 | ||||
| 98 | C | 26.9 | Very low | 35.7 | Very low | 135 Ų | 135 | 121.8 Ų | 121.8 | 91% | 0.912 | 72% | 0.723 | S | S | * | * | trans | -91.3 | 99.8 | 154.9 | -172 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 99 | G | 32 | Very low | 35.7 | Very low | 62 Ų | 62 | 119.9 Ų | 119.9 | 64% | 0.639 | 72% | 0.718 | S | S | * | * | trans | -89.1 | 107.5 | 180 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 100 | S | 31.1 | Very low | 36.2 | Very low | 121 Ų | 121 | 115.6 Ų | 115.6 | 85% | 0.846 | 73% | 0.728 | S | S | * | * | trans | -167.1 | 140.3 | 152.1 | -81 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 101 | T | 40.7 | Very low | 36.5 | Very low | 139 Ų | 139 | 116.1 Ų | 116.1 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -70.4 | 140.6 | -179.9 | 41.7 | 0 | 0 | 0 | 0 | 112.5 | ||
| 102 | A | 42.2 | Very low | 36.7 | Very low | 104 Ų | 104 | 118.6 Ų | 118.6 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 63.7 | 74.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 103 | A | 35 | Very low | 36.7 | Very low | 89 Ų | 89 | 118.6 Ų | 118.6 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | trans | 176.9 | 150.9 | 138.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 104 | P | 35.5 | Very low | 36.8 | Very low | 125 Ų | 125 | 124.3 Ų | 124.3 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -74.6 | 127.8 | 170.4 | 29.3 | -30.9 | 0 | 0 | 0 | 111.1 | K106 | P104-K106 PolarHBondContact O-N 3.24Å; P104-K106 VanDerWaalsContact O-N 3.1Å | ||
| 105 | C | 34.5 | Very low | 36.5 | Very low | 105 Ų | 105 | 119.8 Ų | 119.8 | 71% | 0.709 | 78% | 0.78 | S | S | * | * | trans | -65 | 108.4 | 177.9 | 178.5 | 0 | 0 | 0 | 0 | 111.2 | G107 | C105-G107 PolarHBondContact O-N 2.71Š| ||
| 106 | K | 41.8 | Very low | 36 | Very low | 201 Ų | 201 | 124.5 Ų | 124.5 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -68.3 | 119.8 | 159.7 | -70.9 | -177.5 | 178.3 | 179.5 | 0 | 107.4 | P104 N108 | P104-K106 PolarHBondContact O-N 3.24Å; P104-K106 VanDerWaalsContact O-N 3.1Å; K106-N108 PolarHBondContact O-N 3.22Å | ||
| 107 | G | 44.4 | Very low | 36.1 | Very low | 68 Ų | 68 | 125.2 Ų | 125.2 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -58.4 | 121.1 | -159.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | C105 | C105-G107 PolarHBondContact O-N 2.71Š|
| 108 | N | 44.9 | Very low | 36.1 | Very low | 171 Ų | 171 | 121 Ų | 121 | 91% | 0.914 | 79% | 0.791 | S | S | * | * | trans | -165.7 | 56 | 151.1 | -107.4 | -2.2 | 0 | 0 | 0 | 110.9 | K106 | K106-N108 PolarHBondContact O-N 3.22Š| ||
| 109 | C | 35.1 | Very low | 36.2 | Very low | 73 Ų | 73 | 123 Ų | 123 | 49% | 0.493 | 79% | 0.791 | S | S | . | * | trans | -105.3 | 129.6 | 166.3 | 86.1 | 0 | 0 | 0 | 0 | 110.1 | V111 C112 | C109-V111 PolarHBondContact O-N 2.79Å; C109-C112 VanDerWaalsContact SG-SG 3.66Å | ||
| 110 | G | 43.5 | Very low | 36.1 | Very low | 86 Ų | 86 | 129.9 Ų | 129.9 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 21.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 111 | V | 39.5 | Very low | 36 | Very low | 133 Ų | 133 | 132.8 Ų | 132.8 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | -18.5 | -177.1 | -171.8 | 0 | 0 | 0 | 0 | 112 | C109 | C109-V111 PolarHBondContact O-N 2.79Š|
| 112 | C | 36.5 | Very low | 35.2 | Very low | 107 Ų | 107 | 132 Ų | 132 | 72% | 0.723 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -90.5 | -6.1 | -176.7 | -57.7 | 0 | 0 | 0 | 0 | 114.7 | C109 R114 | C109-C112 VanDerWaalsContact SG-SG 3.66Å; C112-R114 PolarHBondContact O-N 3.12Å |
| 113 | A | 35.3 | Very low | 34.7 | Very low | 87 Ų | 87 | 133.2 Ų | 133.2 | 72% | 0.719 | 80% | 0.797 | S | S | * | * | trans | -95.7 | 71.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 114 | R | 35.8 | Very low | 34.3 | Very low | 243 Ų | 243 | 134.8 Ų | 134.8 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | trans | -179.5 | 90.2 | 151.3 | -102.6 | 159.9 | -174.4 | -175.6 | 1.9 | 111.3 | C112 | C112-R114 PolarHBondContact O-N 3.12Š| ||
| 115 | A | 29.1 | Very low | 33.9 | Very low | 97 Ų | 97 | 134.7 Ų | 134.7 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -129.5 | 105.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 116 | D | 26.8 | Very low | 33.6 | Very low | 162 Ų | 162 | 136.5 Ų | 136.5 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | trans | -70.7 | 128.9 | 175 | -86.2 | -53 | 0 | 0 | 0 | 110.3 | T118 | D116-T118 PolarHBondContact O-N 3.48Š| ||
| 117 | S | 37 | Very low | 33.2 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -97.3 | 56.3 | -165.7 | 60.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 118 | T | 31.6 | Very low | 32.2 | Very low | 120 Ų | 120 | 133 Ų | 133 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | trans | -145 | 63.9 | -179.2 | 45.4 | 0 | 0 | 0 | 0 | 115.1 | D116 | D116-T118 PolarHBondContact O-N 3.48Š| ||
| 119 | L | 28 | Very low | 31.5 | Very low | 176 Ų | 176 | 136.9 Ų | 136.9 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -141.3 | 117 | 154.4 | -115 | 121.4 | 0 | 0 | 0 | 111.6 | ||||
| 120 | K | 30.1 | Very low | 31 | Very low | 207 Ų | 207 | 139.4 Ų | 139.4 | 90% | 0.9 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 138.3 | -179.2 | -70.1 | 179.1 | 175.7 | 178.9 | 0 | 110.9 | ||
| 121 | Q | 27.9 | Very low | 30.2 | Very low | 181 Ų | 181 | 141.5 Ų | 141.5 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 144 | 169.2 | -63.1 | -176.6 | -7 | 0 | 0 | 111.2 | ||
| 122 | P | 25.7 | Very low | 29.4 | Very low | 124 Ų | 124 | 143.8 Ų | 143.8 | 81% | 0.805 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 130.6 | 157.4 | -8 | 26.2 | 0 | 0 | 0 | 110.6 | ||
| 123 | V | 30.8 | Very low | 28.8 | Very low | 129 Ų | 129 | 144.1 Ų | 144.1 | 78% | 0.782 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 138.6 | 174 | 176.7 | 0 | 0 | 0 | 0 | 110 | ||
| 124 | P | 27.5 | Very low | 28.2 | Very low | 121 Ų | 121 | 148.3 Ų | 148.3 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 126.5 | 178.2 | 33.1 | -32.2 | 0 | 0 | 0 | 112.5 | ||
| 125 | T | 26.3 | Very low | 27.8 | Very low | 124 Ų | 124 | 142 Ų | 142 | 76% | 0.761 | 81% | 0.81 | S | S | * | * | trans | -105.9 | 110 | 166.8 | 39.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 126 | T | 27.6 | Very low | 27.5 | Very low | 142 Ų | 142 | 143.9 Ų | 143.9 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | S | Bend | trans | 33.1 | 114.5 | 148.5 | 54.6 | 0 | 0 | 0 | 0 | 119.3 | ||
| 127 | G | 32.9 | Very low | 27.4 | Very low | 77 Ų | 77 | 144.4 Ų | 144.4 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | 162.7 | 19.8 | 158.8 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 128 | S | 25.2 | Very low | 26.8 | Very low | 118 Ų | 118 | 147 Ų | 147 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -162.2 | 136.9 | 165.8 | -88.1 | 0 | 0 | 0 | 0 | 113.4 | V130 | S128-V130 PolarHBondContact O-N 2.77Š| ||
| 129 | R | 28.5 | Very low | 26.5 | Very low | 253 Ų | 253 | 146.2 Ų | 146.2 | 96% | 0.955 | 81% | 0.808 | S | S | * | * | trans | -70.4 | 110 | 174.5 | -81.7 | -179.6 | 172.5 | 170.9 | -2.5 | 110.1 | ||||
| 130 | V | 25.2 | Very low | 26.3 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | trans | -96 | 119.4 | 160 | 179 | 0 | 0 | 0 | 0 | 108 | S128 K132 | S128-V130 PolarHBondContact O-N 2.77Å; V130-K132 PolarHBondContact O-N 3.2Å; V130-K132 VanDerWaalsContact O-N 3.17Å | ||
| 131 | V | 26.2 | Very low | 26.4 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | -67.4 | 111 | 170.4 | 177.7 | 0 | 0 | 0 | 0 | 107.8 | P133 | V131-P133 WeakPolarHBondContact O-CD 3.05Š| ||
| 132 | K | 23.4 | Very low | 26.3 | Very low | 180 Ų | 180 | 135.3 Ų | 135.3 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | -72.5 | 124.6 | 170.7 | -70.9 | -179.4 | 178.1 | 178.4 | 0 | 108.8 | V130 Q134 | V130-K132 PolarHBondContact O-N 3.2Å; V130-K132 VanDerWaalsContact O-N 3.17Å; K132-Q134 PolarHBondContact O-N 3.44Å | ||
| 133 | P | 24 | Very low | 26.4 | Very low | 114 Ų | 114 | 135 Ų | 135 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | trans | -69 | 117 | 158.7 | 27.8 | -28.6 | 0 | 0 | 0 | 108.2 | V131 V135 | V131-P133 WeakPolarHBondContact O-CD 3.05Å; P133-V135 PolarHBondContact O-N 3.34Å | ||
| 134 | Q | 23.7 | Very low | 26.8 | Very low | 175 Ų | 175 | 134.6 Ų | 134.6 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -70.6 | 111.7 | 166.4 | -79.7 | -175 | -24.8 | 0 | 0 | 108.5 | K132 I136 | K132-Q134 PolarHBondContact O-N 3.44Å; Q134-I136 PolarHBondContact O-N 3.26Å | ||
| 135 | V | 26.1 | Very low | 26.9 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 67% | 0.667 | 79% | 0.79 | S | S | * | * | trans | -84.3 | 102.2 | 166.5 | -179.9 | 0 | 0 | 0 | 0 | 107.5 | P133 H137 | P133-V135 PolarHBondContact O-N 3.34Å; V135-H137 PolarHBondContact O-N 2.86Å | ||
| 136 | I | 23.1 | Very low | 27.4 | Very low | 138 Ų | 138 | 132.5 Ų | 132.5 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | trans | -73.4 | 105.2 | 172 | -60.3 | 175 | 0 | 0 | 0 | 107.6 | Q134 Q138 | Q134-I136 PolarHBondContact O-N 3.26Å; I136-Q138 PolarHBondContact O-N 3.34Å; I136-Q138 VanDerWaalsContact O-N 3.09Å | ||
| 137 | H | 24.8 | Very low | 27.6 | Very low | 173 Ų | 173 | 131.4 Ų | 131.4 | 80% | 0.801 | 79% | 0.785 | S | S | * | * | trans | -76.6 | 89.5 | 168.6 | -82.5 | -84.5 | 0 | 0 | 0 | 109.7 | V135 A139 | V135-H137 PolarHBondContact O-N 2.86Å; H137-A139 PolarHBondContact O-N 2.88Å | ||
| 138 | Q | 24.3 | Very low | 27.4 | Very low | 169 Ų | 169 | 133.3 Ų | 133.3 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -82.1 | 102 | 168.2 | -154.9 | 168.5 | 17.2 | 0 | 0 | 108.7 | I136 V140 | I136-Q138 PolarHBondContact O-N 3.34Å; I136-Q138 VanDerWaalsContact O-N 3.09Å; Q138-V140 PolarHBondContact O-N 3.36Å | ||
| 139 | A | 24.6 | Very low | 27.6 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | trans | -74.4 | 104.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | H137 | H137-A139 PolarHBondContact O-N 2.88Š| ||
| 140 | V | 24.8 | Very low | 27.5 | Very low | 112 Ų | 112 | 134.7 Ų | 134.7 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | trans | -97.9 | 114 | 170.6 | -172.9 | 0 | 0 | 0 | 0 | 108.5 | Q138 V142 | Q138-V140 PolarHBondContact O-N 3.36Å; V140-V142 HydrophobicContact CG1-CG2 3.78Å | ||
| 141 | A | 31.1 | Very low | 27.6 | Very low | 103 Ų | 103 | 134.2 Ų | 134.2 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | trans | -76.6 | 127.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 142 | V | 26.9 | Very low | 27.9 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 72% | 0.721 | 75% | 0.747 | S | S | * | * | trans | -134.2 | 137.4 | 178.1 | -173.5 | 0 | 0 | 0 | 0 | 109.7 | V140 | V140-V142 HydrophobicContact CG1-CG2 3.78Š| ||
| 143 | P | 28.2 | Very low | 28.2 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | trans | -72.2 | 160.4 | -175.4 | -17.4 | 32.2 | 0 | 0 | 0 | 114.6 | V145 | P143-V145 PolarHBondContact O-N 2.95Š| ||
| 144 | S | 38.2 | Very low | 28.5 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 85% | 0.853 | 73% | 0.734 | S | S | * | * | trans | -76.2 | 104 | -177 | 54.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 145 | V | 29.5 | Very low | 28.7 | Very low | 132 Ų | 132 | 128.3 Ų | 128.3 | 80% | 0.8 | 72% | 0.718 | S | S | * | * | trans | -140.8 | 114.4 | 160.2 | -164.6 | 0 | 0 | 0 | 0 | 110.6 | P143 | P143-V145 PolarHBondContact O-N 2.95Š| ||
| 146 | G | 37.2 | Very low | 29 | Very low | 69 Ų | 69 | 126.5 Ų | 126.5 | 71% | 0.711 | 71% | 0.711 | S | S | * | * | trans | -93.3 | 99.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 147 | S | 31.8 | Very low | 29.4 | Very low | 118 Ų | 118 | 122.4 Ų | 122.4 | 83% | 0.825 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -162.7 | -12.4 | 156 | -85.4 | 0 | 0 | 0 | 0 | 115.9 | ||
| 148 | L | 28.8 | Very low | 29.8 | Very low | 117 Ų | 117 | 121.2 Ų | 121.2 | 61% | 0.613 | 69% | 0.687 | S | S | * | * | trans | -91.1 | -1 | -175.5 | -68 | 171.7 | 0 | 0 | 0 | 115.4 | Y150 L151 N152 | L148-Y150 VanDerWaalsContact C-N 3.3Å; L148-Y150 PolarHBondContact O-N 3.23Å; L148-L151 PolarHBondContact O-N 3.03Å; L148-N152 PolarHBondContact O-N 3.42Å | ||
| 149 | Y | 28.9 | Very low | 30.2 | Very low | 202 Ų | 202 | 118.5 Ų | 118.5 | 79% | 0.792 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -15.3 | -170 | -94.1 | -86.2 | 0 | 0 | 0 | 116.3 | ||
| 150 | Y | 25.8 | Very low | 30.6 | Very low | 198 Ų | 198 | 120.4 Ų | 120.4 | 78% | 0.776 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -23.3 | 178.9 | -149.4 | -96.5 | 0 | 0 | 0 | 113.7 | L148 L154 | L148-Y150 VanDerWaalsContact C-N 3.3Å; L148-Y150 PolarHBondContact O-N 3.23Å; Y150-L154 HydrophobicContact CD1-CD1 4.48Å |
| 151 | L | 29.3 | Very low | 31 | Very low | 117 Ų | 117 | 118 Ų | 118 | 61% | 0.613 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -87.2 | -45.2 | 179.8 | -68.8 | 171.2 | 0 | 0 | 0 | 111.2 | L148 Y153 L154 D155 | L148-L151 PolarHBondContact O-N 3.03Å; L151-Y153 VanDerWaalsContact C-N 3.26Å; L151-Y153 PolarHBondContact O-N 3.21Å; L151-L154 PolarHBondContact O-N 3.33Å; L151-L154 VanDerWaalsContact O-N 3.11Å; L151-D155 PolarHBondContact O-N 3.48Å |
| 152 | N | 32.4 | Very low | 31.2 | Very low | 100 Ų | 100 | 118.6 Ų | 118.6 | 54% | 0.535 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -67.3 | -23.9 | -179.4 | -68.5 | 10.4 | 0 | 0 | 0 | 113.7 | L148 S156 | L148-N152 PolarHBondContact O-N 3.42Å; N152-S156 WeakPolarHBondContact O-CB 3.44Å; N152-S156 PolarHBondContact O-N 2.98Å; N152-S156 PolarHBondContact O-OG 2.87Å |
| 153 | Y | 29.8 | Very low | 31.8 | Very low | 181 Ų | 181 | 120.2 Ų | 120.2 | 71% | 0.71 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -71.4 | -34.9 | 174 | -169.7 | -97.2 | 0 | 0 | 0 | 112.2 | L151 A157 | L151-Y153 VanDerWaalsContact C-N 3.26Å; L151-Y153 PolarHBondContact O-N 3.21Å; Y153-A157 WeakPolarHBondContact O-CB 3.35Å; Y153-A157 PolarHBondContact O-N 3.39Å |
| 154 | L | 28.6 | Very low | 32.1 | Very low | 103 Ų | 103 | 121.2 Ų | 121.2 | 54% | 0.539 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -72.5 | -38.9 | 173.8 | -68.1 | 170.5 | 0 | 0 | 0 | 110.9 | Y150 L151 A157 Y158 | Y150-L154 HydrophobicContact CD1-CD1 4.48Å; L151-L154 PolarHBondContact O-N 3.33Å; L151-L154 VanDerWaalsContact O-N 3.11Å; L154-A157 PolarHBondContact O-N 3.37Å; L154-Y158 WeakPolarHBondContact O-CB 3.41Å; L154-Y158 PolarHBondContact O-N 2.9Å |
| 155 | D | 27.6 | Very low | 31.9 | Very low | 92 Ų | 92 | 117.2 Ų | 117.2 | 49% | 0.492 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66.4 | -44.5 | -179.9 | -153.5 | 46.4 | 0 | 0 | 0 | 112.5 | L151 A157 Y158 Q159 | L151-D155 PolarHBondContact O-N 3.48Å; D155-A157 PolarHBondContact O-N 3.21Å; D155-Y158 WeakPolarHBondContact O-CB 3.24Å; D155-Y158 PolarHBondContact O-N 3.23Å; D155-Q159 PolarHBondContact O-N 3.48Å |
| 156 | S | 34.4 | Very low | 32.3 | Very low | 72 Ų | 72 | 113.6 Ų | 113.6 | 50% | 0.503 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.7 | -35.1 | 174.2 | -65.6 | 0 | 0 | 0 | 0 | 113.1 | N152 Y158 Q160 | N152-S156 WeakPolarHBondContact O-CB 3.44Å; N152-S156 PolarHBondContact O-N 2.98Å; N152-S156 PolarHBondContact O-OG 2.87Å; S156-Y158 VanDerWaalsContact C-N 3.34Å; S156-Q160 PolarHBondContact O-N 3.46Å |
| 157 | A | 30.6 | Very low | 32.4 | Very low | 51 Ų | 51 | 118.4 Ų | 118.4 | 42% | 0.421 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -70.6 | -31.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y153 L154 D155 S161 | Y153-A157 WeakPolarHBondContact O-CB 3.35Å; Y153-A157 PolarHBondContact O-N 3.39Å; L154-A157 PolarHBondContact O-N 3.37Å; D155-A157 PolarHBondContact O-N 3.21Å; A157-S161 PolarHBondContact O-N 2.8Å |
| 158 | Y | 32.9 | Very low | 32.4 | Very low | 148 Ų | 148 | 122.3 Ų | 122.3 | 58% | 0.58 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.8 | -49.2 | 175.4 | -161.7 | -95.3 | 0 | 0 | 0 | 111 | L154 D155 S156 Q160 S161 E162 | L154-Y158 WeakPolarHBondContact O-CB 3.41Å; L154-Y158 PolarHBondContact O-N 2.9Å; D155-Y158 WeakPolarHBondContact O-CB 3.24Å; D155-Y158 PolarHBondContact O-N 3.23Å; S156-Y158 VanDerWaalsContact C-N 3.34Å; Y158-Q160 VanDerWaalsContact C-N 3.35Å; Y158-Q160 PolarHBondContact O-N 3.41Å; Y158-S161 WeakPolarHBondContact O-CA 2.95Å; Y158-S161 WeakPolarHBondContact O-CB 3.24Å; Y158-S161 PolarHBondContact O-N 3Å; Y158-S161 PolarHBondContact O-OG 2.94Å; Y158-E162 HydrophobicContact CE1-CG 4.45Å; Y158-E162 PolarHBondContact O-N 2.96Å; Y158-E162 VanDerWaalsContact O-N 3.16Å |
| 159 | Q | 33.1 | Very low | 32.6 | Very low | 112 Ų | 112 | 120.8 Ų | 120.8 | 52% | 0.523 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.4 | -37.2 | 177.1 | -71.1 | -178.5 | -8.8 | 0 | 0 | 113.4 | D155 S161 E162 L163 | D155-Q159 PolarHBondContact O-N 3.48Å; Q159-S161 PolarHBondContact O-N 3.12Å; Q159-E162 PolarHBondContact O-N 3.06Å; Q159-L163 PolarHBondContact O-N 2.84Å |
| 160 | Q | 32.1 | Very low | 33.1 | Very low | 144 Ų | 144 | 115.4 Ų | 115.4 | 67% | 0.673 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.6 | -25.2 | 172.4 | -76.4 | -171.7 | -18.8 | 0 | 0 | 113.2 | S156 Y158 | S156-Q160 PolarHBondContact O-N 3.46Å; Y158-Q160 VanDerWaalsContact C-N 3.35Å; Y158-Q160 PolarHBondContact O-N 3.41Å |
| 161 | S | 33.8 | Very low | 33.7 | Very low | 60 Ų | 60 | 109.1 Ų | 109.1 | 42% | 0.42 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -77 | -34 | 175.5 | 80.8 | 0 | 0 | 0 | 0 | 112.8 | A157 Y158 Q159 L164 A165 | A157-S161 PolarHBondContact O-N 2.8Å; Y158-S161 WeakPolarHBondContact O-CA 2.95Å; Y158-S161 WeakPolarHBondContact O-CB 3.24Å; Y158-S161 PolarHBondContact O-N 3Å; Y158-S161 PolarHBondContact O-OG 2.94Å; Q159-S161 PolarHBondContact O-N 3.12Å; S161-L164 PolarHBondContact O-N 3.42Å; S161-A165 VanDerWaalsContact O-CB 3.31Å; S161-A165 WeakPolarHBondContact O-CB 3.4Å; S161-A165 PolarHBondContact O-N 2.86Å |
| 162 | E | 35.5 | Very low | 34.2 | Very low | 116 Ų | 116 | 108.3 Ų | 108.3 | 54% | 0.542 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.2 | -41.9 | 177.3 | -68.1 | -166.9 | 134.3 | 0 | 0 | 112.5 | Y158 Q159 L164 A165 G166 | Y158-E162 HydrophobicContact CE1-CG 4.45Å; Y158-E162 PolarHBondContact O-N 2.96Å; Y158-E162 VanDerWaalsContact O-N 3.16Å; Q159-E162 PolarHBondContact O-N 3.06Å; E162-L164 PolarHBondContact O-N 3.32Å; E162-A165 PolarHBondContact O-N 3.14Å; E162-A165 VanDerWaalsContact O-N 3.11Å; E162-G166 PolarHBondContact O-N 2.93Å; E162-G166 VanDerWaalsContact O-N 3.13Å |
| 163 | L | 39.4 | Very low | 34.4 | Very low | 154 Ų | 154 | 110.6 Ų | 110.6 | 81% | 0.806 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.8 | -24.1 | 176.4 | -74.7 | 168.2 | 0 | 0 | 0 | 113.6 | Q159 | Q159-L163 PolarHBondContact O-N 2.84Å |
| 164 | L | 35 | Very low | 34.7 | Very low | 137 Ų | 137 | 103.1 Ų | 103.1 | 72% | 0.717 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -94.7 | -25.4 | 174.1 | -67.5 | 172.2 | 0 | 0 | 0 | 112.9 | S161 E162 | S161-L164 PolarHBondContact O-N 3.42Å; E162-L164 PolarHBondContact O-N 3.32Å |
| 165 | A | 34.3 | Very low | 35.2 | Very low | 38 Ų | 38 | 103.6 Ų | 103.6 | 31% | 0.314 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -75.6 | -27.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S161 E162 H167 W168 L169 | S161-A165 VanDerWaalsContact O-CB 3.31Å; S161-A165 WeakPolarHBondContact O-CB 3.4Å; S161-A165 PolarHBondContact O-N 2.86Å; E162-A165 PolarHBondContact O-N 3.14Å; E162-A165 VanDerWaalsContact O-N 3.11Å; A165-H167 PolarHBondContact O-N 3.21Å; A165-W168 PolarHBondContact O-N 3.36Å; A165-L169 PolarHBondContact O-N 2.94Å |
| 166 | G | 37 | Very low | 35.9 | Very low | 56 Ų | 56 | 102.6 Ų | 102.6 | 58% | 0.577 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | -28.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E162 | E162-G166 PolarHBondContact O-N 2.93Å; E162-G166 VanDerWaalsContact O-N 3.13Å |
| 167 | H | 38.6 | Very low | 36 | Very low | 170 Ų | 170 | 104 Ų | 104 | 79% | 0.787 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -14.3 | 178.5 | -118.7 | -70.9 | 0 | 0 | 0 | 114.9 | A165 S170 | A165-H167 PolarHBondContact O-N 3.21Å; H167-S170 PolarHBondContact O-OG 3.47Å |
| 168 | W | 32.2 | Very low | 36.3 | Very low | 200 Ų | 200 | 104 Ų | 104 | 76% | 0.758 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -29 | -179.4 | -105.7 | 82.6 | 0 | 0 | 0 | 113.1 | A165 S170 T171 | A165-W168 PolarHBondContact O-N 3.36Å; W168-S170 VanDerWaalsContact C-N 3.29Å; W168-S170 PolarHBondContact O-N 3.1Å; W168-T171 PolarHBondContact O-OG1 3.43Å |
| 169 | L | 33.9 | Very low | 36.7 | Very low | 86 Ų | 86 | 100.1 Ų | 100.1 | 45% | 0.45 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79 | -5.3 | -174.3 | -76.5 | 161.2 | 0 | 0 | 0 | 114.8 | A165 Q175 | A165-L169 PolarHBondContact O-N 2.94Å; L169-Q175 PolarHBondContact O-NE2 3.06Å |
| 170 | S | 38.2 | Very low | 36.9 | Very low | 88 Ų | 88 | 98.2 Ų | 98.2 | 62% | 0.615 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -2.8 | -178.8 | 58.8 | 0 | 0 | 0 | 0 | 114.9 | H167 W168 | H167-S170 PolarHBondContact O-OG 3.47Å; W168-S170 VanDerWaalsContact C-N 3.29Å; W168-S170 PolarHBondContact O-N 3.1Å |
| 171 | T | 39.7 | Very low | 37.2 | Very low | 66 Ų | 66 | 97.7 Ų | 97.7 | 41% | 0.405 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -99.5 | 132.6 | -179.8 | 48.8 | 0 | 0 | 0 | 0 | 112.9 | W168 Q173 A174 | W168-T171 PolarHBondContact O-OG1 3.43Å; T171-Q173 VanDerWaalsContact C-N 3.28Å; T171-Q173 PolarHBondContact O-N 3.28Å; T171-A174 WeakPolarHBondContact O-CB 3.38Å; T171-A174 PolarHBondContact O-N 3.36Å |
| 172 | P | 39 | Very low | 37.4 | Very low | 100 Ų | 100 | 99.8 Ų | 99.8 | 65% | 0.649 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -56.4 | -35.7 | 179.7 | -28.6 | 36.2 | 0 | 0 | 0 | 114.6 | A174 Q175 A176 | P172-A174 VanDerWaalsContact C-N 3.3Å; P172-A174 PolarHBondContact O-N 3.22Å; P172-Q175 PolarHBondContact O-N 2.86Å; P172-A176 PolarHBondContact O-N 3.08Å |
| 173 | Q | 36 | Very low | 37.8 | Very low | 149 Ų | 149 | 99.8 Ų | 99.8 | 70% | 0.696 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.9 | -32 | 175.5 | -82.7 | 76.9 | 7.2 | 0 | 0 | 113.6 | T171 S177 | T171-Q173 VanDerWaalsContact C-N 3.28Å; T171-Q173 PolarHBondContact O-N 3.28Å; Q173-S177 PolarHBondContact O-OG 2.95Å |
| 174 | A | 37.2 | Very low | 38.1 | Very low | 24 Ų | 24 | 97.7 Ų | 97.7 | 20% | 0.198 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -70.1 | -43.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | T171 P172 A176 S177 | T171-A174 WeakPolarHBondContact O-CB 3.38Å; T171-A174 PolarHBondContact O-N 3.36Å; P172-A174 VanDerWaalsContact C-N 3.3Å; P172-A174 PolarHBondContact O-N 3.22Å; A174-A176 PolarHBondContact O-N 2.96Å; A174-S177 PolarHBondContact O-N 2.97Å; A174-S177 VanDerWaalsContact O-N 3.13Å |
| 175 | Q | 39.9 | Very low | 38.6 | Very low | 112 Ų | 112 | 94.8 Ų | 94.8 | 52% | 0.523 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.2 | -37.4 | 179.3 | -64 | -175 | -4.8 | 0 | 0 | 112.5 | L169 P172 S177 L178 R183 | L169-Q175 PolarHBondContact O-NE2 3.06Å; P172-Q175 PolarHBondContact O-N 2.86Å; Q175-S177 PolarHBondContact O-N 3.42Å; Q175-L178 PolarHBondContact O-N 2.81Å; Q175-R183 PolarHBondContact O-NE 3.34Å; Q175-R183 PolarHBondContact O-NH2 3.1Å |
| 176 | A | 41.8 | Very low | 39.1 | Very low | 71 Ų | 71 | 97.1 Ų | 97.1 | 59% | 0.587 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -57 | -29.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P172 A174 R183 | P172-A176 PolarHBondContact O-N 3.08Å; A174-A176 PolarHBondContact O-N 2.96Å; A176-R183 PolarHBondContact O-NH2 3.07Å |
| 177 | S | 35.1 | Very low | 39.4 | Very low | 103 Ų | 103 | 99.7 Ų | 99.7 | 72% | 0.72 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -8.4 | -174 | -55.2 | 0 | 0 | 0 | 0 | 114.7 | Q173 A174 Q175 | Q173-S177 PolarHBondContact O-OG 2.95Å; A174-S177 PolarHBondContact O-N 2.97Å; A174-S177 VanDerWaalsContact O-N 3.13Å; Q175-S177 PolarHBondContact O-N 3.42Å |
| 178 | L | 38.7 | Very low | 39.6 | Very low | 51 Ų | 51 | 97.3 Ų | 97.3 | 27% | 0.267 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -77.3 | 130.6 | 178.3 | -75.4 | 165.3 | 0 | 0 | 0 | 111.8 | Q175 H182 R183 L186 | Q175-L178 PolarHBondContact O-N 2.81Å; L178-H182 HydrophobicContact CD2-CB 4.05Å; L178-R183 HydrophobicContact CB-CG 3.99Å; L178-R183 PolarHBondContact O-NE 3.14Å; L178-R183 VanDerWaalsContact O-NE 3.08Å; L178-L186 HydrophobicContact CD1-CD1 3.96Å |
| 179 | S | 41.1 | Very low | 40 | Very low | 65 Ų | 65 | 92.4 Ų | 92.4 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | trans | -63 | 149.1 | 173.7 | 68.1 | 0 | 0 | 0 | 0 | 111.4 | H181 H182 R183 | S179-H181 PolarHBondContact O-N 3.02Å; S179-H181 VanDerWaalsContact O-N 3.07Å; S179-H182 PolarHBondContact O-N 3.37Å; S179-H182 PolarHBondContact OG-ND1 3.23Å; S179-R183 PolarHBondContact O-N 3.42Å | ||
| 180 | A | 37.6 | Very low | 40.3 | Very low | 73 Ų | 73 | 91.5 Ų | 91.5 | 60% | 0.603 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -52.9 | -36.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R183 L184 | A180-R183 PolarHBondContact O-N 3.26Å; A180-L184 WeakPolarHBondContact O-CG 3.28Å; A180-L184 PolarHBondContact O-N 2.81Å |
| 181 | H | 36.3 | Very low | 40.5 | Very low | 133 Ų | 133 | 95.4 Ų | 95.4 | 62% | 0.616 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.5 | -39.9 | 176.9 | -161.5 | 77.6 | 0 | 0 | 0 | 113.1 | S179 L184 L185 | S179-H181 PolarHBondContact O-N 3.02Å; S179-H181 VanDerWaalsContact O-N 3.07Å; H181-L184 PolarHBondContact O-N 3.13Å; H181-L185 WeakPolarHBondContact O-CG 3.34Å; H181-L185 PolarHBondContact O-N 2.82Å; H181-L185 VanDerWaalsContact O-N 3.14Å |
| 182 | H | 40.1 | Very low | 40.7 | Very low | 104 Ų | 104 | 98.7 Ų | 98.7 | 48% | 0.481 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69.9 | -33.9 | 174 | -74.3 | 100.2 | 0 | 0 | 0 | 112.3 | L178 S179 L184 L186 | L178-H182 HydrophobicContact CD2-CB 4.05Å; S179-H182 PolarHBondContact O-N 3.37Å; S179-H182 PolarHBondContact OG-ND1 3.23Å; H182-L184 VanDerWaalsContact C-N 3.34Å; H182-L186 WeakPolarHBondContact O-CB 3.37Å; H182-L186 VanDerWaalsContact O-CG 3.27Å; H182-L186 WeakPolarHBondContact O-CG 3.31Å; H182-L186 PolarHBondContact O-N 2.94Å |
| 183 | R | 43.8 | Very low | 40.6 | Very low | 116 Ų | 116 | 98.2 Ų | 98.2 | 44% | 0.438 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.3 | -38.3 | 175 | -60.5 | -170.5 | -168.3 | -171.8 | 4.2 | 111.8 | Q175 A176 L178 S179 A180 L186 L187 | Q175-R183 PolarHBondContact O-NE 3.34Å; Q175-R183 PolarHBondContact O-NH2 3.1Å; A176-R183 PolarHBondContact O-NH2 3.07Å; L178-R183 HydrophobicContact CB-CG 3.99Å; L178-R183 PolarHBondContact O-NE 3.14Å; L178-R183 VanDerWaalsContact O-NE 3.08Å; S179-R183 PolarHBondContact O-N 3.42Å; A180-R183 PolarHBondContact O-N 3.26Å; R183-L186 PolarHBondContact O-N 3.16Å; R183-L187 WeakPolarHBondContact O-CB 3.43Å; R183-L187 WeakPolarHBondContact O-CD1 3.36Å; R183-L187 VanDerWaalsContact O-CG 3.3Å; R183-L187 WeakPolarHBondContact O-CG 3.23Å; R183-L187 PolarHBondContact O-N 3.08Å |
| 184 | L | 45.5 | Very low | 40.9 | Very low | 109 Ų | 109 | 94.5 Ų | 94.5 | 57% | 0.571 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.5 | -47.1 | 175.8 | -69.8 | 168.9 | 0 | 0 | 0 | 111.9 | A180 H181 H182 L186 L187 E188 | A180-L184 WeakPolarHBondContact O-CG 3.28Å; A180-L184 PolarHBondContact O-N 2.81Å; H181-L184 PolarHBondContact O-N 3.13Å; H182-L184 VanDerWaalsContact C-N 3.34Å; L184-L186 VanDerWaalsContact C-N 3.3Å; L184-L186 PolarHBondContact O-N 3.06Å; L184-L187 PolarHBondContact O-N 3.22Å; L184-L187 VanDerWaalsContact O-N 3.14Å; L184-E188 WeakPolarHBondContact O-CB 3.41Å; L184-E188 PolarHBondContact O-N 3.42Å |
| 185 | L | 44.6 | Very low | 40.6 | Very low | 77 Ų | 77 | 97.5 Ų | 97.5 | 40% | 0.403 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -59.5 | -38.6 | 175.8 | -72.8 | 165.1 | 0 | 0 | 0 | 112.6 | H181 E188 N189 | H181-L185 WeakPolarHBondContact O-CG 3.34Å; H181-L185 PolarHBondContact O-N 2.82Å; H181-L185 VanDerWaalsContact O-N 3.14Å; L185-E188 PolarHBondContact O-N 3.16Å; L185-N189 WeakPolarHBondContact O-CB 3.49Å; L185-N189 VanDerWaalsContact O-CG 3.3Å; L185-N189 PolarHBondContact O-N 3.31Å |
| 186 | L | 44.3 | Very low | 40.2 | Very low | 87 Ų | 87 | 95.8 Ų | 95.8 | 46% | 0.455 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.5 | -36.3 | 175.6 | -70.9 | 168.6 | 0 | 0 | 0 | 112.6 | L178 H182 R183 L184 E188 A190 | L178-L186 HydrophobicContact CD1-CD1 3.96Å; H182-L186 WeakPolarHBondContact O-CB 3.37Å; H182-L186 VanDerWaalsContact O-CG 3.27Å; H182-L186 WeakPolarHBondContact O-CG 3.31Å; H182-L186 PolarHBondContact O-N 2.94Å; R183-L186 PolarHBondContact O-N 3.16Å; L184-L186 VanDerWaalsContact C-N 3.3Å; L184-L186 PolarHBondContact O-N 3.06Å; L186-E188 VanDerWaalsContact C-N 3.33Å; L186-A190 VanDerWaalsContact O-CB 3.29Å; L186-A190 WeakPolarHBondContact O-CB 3.2Å; L186-A190 PolarHBondContact O-N 2.83Å |
| 187 | L | 44.8 | Very low | 40.1 | Very low | 109 Ų | 109 | 98.2 Ų | 98.2 | 57% | 0.571 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.9 | -31.1 | 173.9 | -76.3 | 164.6 | 0 | 0 | 0 | 112.7 | R183 L184 K191 | R183-L187 WeakPolarHBondContact O-CB 3.43Å; R183-L187 WeakPolarHBondContact O-CD1 3.36Å; R183-L187 VanDerWaalsContact O-CG 3.3Å; R183-L187 WeakPolarHBondContact O-CG 3.23Å; R183-L187 PolarHBondContact O-N 3.08Å; L184-L187 PolarHBondContact O-N 3.22Å; L184-L187 VanDerWaalsContact O-N 3.14Å; L187-K191 WeakPolarHBondContact O-CG 3.37Å; L187-K191 PolarHBondContact O-N 3.41Å |
| 188 | E | 42.7 | Very low | 39.9 | Very low | 121 Ų | 121 | 102.2 Ų | 102.2 | 57% | 0.565 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73.3 | -45.9 | 175.6 | -165.8 | 159.1 | -157.1 | 0 | 0 | 110.9 | L184 L185 L186 A190 K191 L192 | L184-E188 WeakPolarHBondContact O-CB 3.41Å; L184-E188 PolarHBondContact O-N 3.42Å; L185-E188 PolarHBondContact O-N 3.16Å; L186-E188 VanDerWaalsContact C-N 3.33Å; E188-A190 VanDerWaalsContact C-N 3.32Å; E188-A190 PolarHBondContact O-N 3.05Å; E188-K191 WeakPolarHBondContact O-CB 3.14Å; E188-K191 PolarHBondContact O-N 3.46Å; E188-K191 VanDerWaalsContact O-N 3.14Å; E188-L192 PolarHBondContact O-N 3.23Å |
| 189 | N | 39.7 | Very low | 39.6 | Very low | 96 Ų | 96 | 109.2 Ų | 109.2 | 51% | 0.513 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -61.5 | -37.5 | 172.6 | -70.6 | -9.1 | 0 | 0 | 0 | 112.7 | L185 K191 L192 A193 | L185-N189 WeakPolarHBondContact O-CB 3.49Å; L185-N189 VanDerWaalsContact O-CG 3.3Å; L185-N189 PolarHBondContact O-N 3.31Å; N189-K191 VanDerWaalsContact C-N 3.28Å; N189-K191 PolarHBondContact O-N 3.46Å; N189-L192 PolarHBondContact O-N 3.36Å; N189-A193 PolarHBondContact O-N 3.17Å |
| 190 | A | 40.5 | Very low | 38.9 | Very low | 67 Ų | 67 | 114.2 Ų | 114.2 | 55% | 0.554 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65.1 | -28.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | L186 E188 | L186-A190 VanDerWaalsContact O-CB 3.29Å; L186-A190 WeakPolarHBondContact O-CB 3.2Å; L186-A190 PolarHBondContact O-N 2.83Å; E188-A190 VanDerWaalsContact C-N 3.32Å; E188-A190 PolarHBondContact O-N 3.05Å |
| 191 | K | 41.1 | Very low | 38.4 | Very low | 170 Ų | 170 | 115.9 Ų | 115.9 | 74% | 0.739 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -74.9 | -32.1 | 172.8 | -72.5 | 173.4 | 179.3 | -178 | 0 | 112.5 | L187 E188 N189 A193 | L187-K191 WeakPolarHBondContact O-CG 3.37Å; L187-K191 PolarHBondContact O-N 3.41Å; E188-K191 WeakPolarHBondContact O-CB 3.14Å; E188-K191 PolarHBondContact O-N 3.46Å; E188-K191 VanDerWaalsContact O-N 3.14Å; N189-K191 VanDerWaalsContact C-N 3.28Å; N189-K191 PolarHBondContact O-N 3.46Å; K191-A193 VanDerWaalsContact C-N 3.35Å |
| 192 | L | 44.9 | Very low | 37.8 | Very low | 135 Ų | 135 | 115.9 Ų | 115.9 | 71% | 0.707 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -75.2 | -22.2 | 179.2 | -67.4 | 169.6 | 0 | 0 | 0 | 113.2 | E188 N189 G194 | E188-L192 PolarHBondContact O-N 3.23Å; N189-L192 PolarHBondContact O-N 3.36Å; L192-G194 VanDerWaalsContact C-N 3.25Å; L192-G194 PolarHBondContact O-N 2.89Å |
| 193 | A | 37.8 | Very low | 37.1 | Very low | 90 Ų | 90 | 115.6 Ų | 115.6 | 74% | 0.744 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -1.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | N189 K191 | N189-A193 PolarHBondContact O-N 3.17Å; K191-A193 VanDerWaalsContact C-N 3.35Å |
| 194 | G | 40.9 | Very low | 36.2 | Very low | 71 Ų | 71 | 119 Ų | 119 | 73% | 0.732 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | -0.4 | -167.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | L192 | L192-G194 VanDerWaalsContact C-N 3.25Å; L192-G194 PolarHBondContact O-N 2.89Å |
| 195 | A | 31.9 | Very low | 35.1 | Very low | 87 Ų | 87 | 123.4 Ų | 123.4 | 72% | 0.719 | 70% | 0.704 | S | S | * | * | trans | -124.9 | 125.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 196 | G | 31.2 | Very low | 34.2 | Very low | 76 Ų | 76 | 125.8 Ų | 125.8 | 78% | 0.784 | 72% | 0.724 | S | S | * | * | trans | -72.1 | 173.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E198 | G196-E198 PolarHBondContact O-N 3.07Š| ||
| 197 | S | 39.7 | Very low | 33.4 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | trans | -52.5 | 116.7 | -174 | 53.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 198 | E | 30 | Very low | 33 | Very low | 187 Ų | 187 | 133.2 Ų | 133.2 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | trans | -158.1 | 144.1 | 138.2 | -114.8 | 172.4 | -160.7 | 0 | 0 | 111.6 | G196 | G196-E198 PolarHBondContact O-N 3.07Š| ||
| 199 | K | 33.1 | Very low | 32.4 | Very low | 198 Ų | 198 | 135.9 Ų | 135.9 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | trans | 1.6 | 108.5 | -180 | -66.4 | 172.9 | -177.6 | 169.5 | 0 | 118.2 | P201 | K199-P201 VanDerWaalsContact O-CD 3.29Å; K199-P201 WeakPolarHBondContact O-CD 3.28Å | ||
| 200 | L | 26.6 | Very low | 31.8 | Very low | 170 Ų | 170 | 140 Ų | 140 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -61 | 120.5 | 174.4 | -152 | 85.7 | 0 | 0 | 0 | 113 | ||
| 201 | P | 26.3 | Very low | 31.2 | Very low | 109 Ų | 109 | 144.5 Ų | 144.5 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 142.9 | 162.6 | -5.6 | 25.2 | 0 | 0 | 0 | 110.3 | K199 P203 | K199-P201 VanDerWaalsContact O-CD 3.29Å; K199-P201 WeakPolarHBondContact O-CD 3.28Å; P201-P203 WeakPolarHBondContact O-CD 3.36Å |
| 202 | T | 25.1 | Very low | 30.7 | Very low | 132 Ų | 132 | 141.1 Ų | 141.1 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 122.5 | 177.6 | -36.2 | 0 | 0 | 0 | 0 | 111 | Q204 | T202-Q204 PolarHBondContact O-N 3.22Å; T202-Q204 VanDerWaalsContact O-N 3.09Å |
| 203 | P | 24.9 | Very low | 30 | Very low | 99 Ų | 99 | 137.4 Ų | 137.4 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | trans | -67.9 | 110.2 | 176.7 | -20.8 | 33.9 | 0 | 0 | 0 | 111.4 | P201 Y205 | P201-P203 WeakPolarHBondContact O-CD 3.36Å; P203-Y205 PolarHBondContact O-N 3.42Å | ||
| 204 | Q | 24 | Very low | 29.7 | Very low | 186 Ų | 186 | 140.4 Ų | 140.4 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | -71.6 | 111.9 | 165.1 | -80.6 | -179.4 | -22.9 | 0 | 0 | 109.1 | T202 | T202-Q204 PolarHBondContact O-N 3.22Å; T202-Q204 VanDerWaalsContact O-N 3.09Å | ||
| 205 | Y | 23.4 | Very low | 29.3 | Very low | 203 Ų | 203 | 142.6 Ų | 142.6 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | trans | -67.6 | 128.2 | 168.9 | -76.6 | -88.4 | 0 | 0 | 0 | 110.1 | P203 H207 | P203-Y205 PolarHBondContact O-N 3.42Å; Y205-H207 PolarHBondContact O-N 2.79Å; Y205-H207 VanDerWaalsContact O-N 3.11Å | ||
| 206 | P | 26.3 | Very low | 29.4 | Very low | 126 Ų | 126 | 143.6 Ų | 143.6 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -67.6 | 111.3 | 175.6 | 25.7 | -32.1 | 0 | 0 | 0 | 110.7 | ||||
| 207 | H | 27.5 | Very low | 29.4 | Very low | 171 Ų | 171 | 145 Ų | 145 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | trans | -81.5 | 128.2 | 172.5 | -111.3 | -72.7 | 0 | 0 | 0 | 110.5 | Y205 | Y205-H207 PolarHBondContact O-N 2.79Å; Y205-H207 VanDerWaalsContact O-N 3.11Å | ||
| 208 | K | 34.8 | Very low | 29.3 | Very low | 182 Ų | 182 | 141.6 Ų | 141.6 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | 70.1 | 139.7 | 176.4 | -47.1 | 162.3 | -176 | 172 | 0 | 110.7 | ||||
| 209 | E | 31 | Very low | 29.6 | Very low | 177 Ų | 177 | 136 Ų | 136 | 83% | 0.827 | 71% | 0.705 | S | S | * | * | cis | -152.4 | 109.9 | 38.4 | -64.8 | 170.8 | 161.8 | 0 | 0 | 112.1 | ||||
| 210 | H | 27.4 | Very low | 29.8 | Very low | 182 Ų | 182 | 133.5 Ų | 133.5 | 84% | 0.843 | 69% | 0.694 | S | S | * | * | trans | -175.3 | 154.8 | 144.5 | -113.2 | 66.6 | 0 | 0 | 0 | 112.8 | ||||
| 211 | L | 26.5 | Very low | 30.2 | Very low | 161 Ų | 161 | 128.8 Ų | 128.8 | 84% | 0.843 | 67% | 0.668 | S | S | * | * | S | Bend | trans | 76 | 142.3 | -178.3 | -70.1 | 119.6 | 0 | 0 | 0 | 116.4 | ||
| 212 | P | 31.2 | Very low | 30.7 | Very low | 99 Ų | 99 | 126.8 Ų | 126.8 | 64% | 0.643 | 65% | 0.651 | S | S | * | * | -95.4 | 144.7 | -124.6 | -12.7 | 30.7 | 0 | 0 | 0 | 115.5 | Q214 L215 | P212-Q214 PolarHBondContact O-N 2.86Å; P212-L215 PolarHBondContact O-N 3.29Å | |||
| 213 | G | 30.7 | Very low | 31.3 | Very low | 58 Ų | 58 | 127.2 Ų | 127.2 | 60% | 0.598 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | 0.8 | -175 | 0 | 0 | 0 | 0 | 0 | 117.6 | L215 Q217 | G213-L215 VanDerWaalsContact C-N 3.25Å; G213-L215 PolarHBondContact O-N 2.83Å; G213-Q217 VanDerWaalsContact O-CB 3.26Å; G213-Q217 WeakPolarHBondContact O-CB 3.31Å; G213-Q217 PolarHBondContact O-N 2.9Å; G213-Q217 VanDerWaalsContact O-N 3.09Å |
| 214 | Q | 31.4 | Very low | 31.6 | Very low | 152 Ų | 152 | 125.7 Ų | 125.7 | 71% | 0.71 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -63.1 | -30.6 | 170.1 | -70.4 | -172.5 | -6.4 | 0 | 0 | 112.4 | P212 I218 | P212-Q214 PolarHBondContact O-N 2.86Å; Q214-I218 VanDerWaalsContact O-CB 3.29Å; Q214-I218 WeakPolarHBondContact O-CB 3.33Å; Q214-I218 VanDerWaalsContact O-CD1 3.23Å; Q214-I218 WeakPolarHBondContact O-CD1 3.24Å; Q214-I218 WeakPolarHBondContact O-CG1 3.35Å; Q214-I218 PolarHBondContact O-N 2.99Å |
| 215 | L | 32.5 | Very low | 32.2 | Very low | 118 Ų | 118 | 123.5 Ų | 123.5 | 62% | 0.618 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -72.6 | -45.8 | -179 | -168.3 | 62.1 | 0 | 0 | 0 | 111.9 | P212 G213 I218 V219 | P212-L215 PolarHBondContact O-N 3.29Å; G213-L215 VanDerWaalsContact C-N 3.25Å; G213-L215 PolarHBondContact O-N 2.83Å; L215-I218 PolarHBondContact O-N 3.46Å; L215-V219 WeakPolarHBondContact O-CG2 3.33Å; L215-V219 PolarHBondContact O-N 2.99Å |
| 216 | D | 33.7 | Very low | 32.9 | Very low | 108 Ų | 108 | 120.7 Ų | 120.7 | 58% | 0.578 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -64.5 | -40.3 | 175.5 | -97.8 | 21.5 | 0 | 0 | 0 | 112.4 | I218 V219 K220 | D216-I218 VanDerWaalsContact C-N 3.34Å; D216-V219 PolarHBondContact O-N 3.09Å; D216-K220 WeakPolarHBondContact O-CB 3.31Å; D216-K220 WeakPolarHBondContact O-CG 3.32Å; D216-K220 PolarHBondContact O-N 3.28Å |
| 217 | Q | 32.5 | Very low | 33.2 | Very low | 106 Ų | 106 | 117.7 Ų | 117.7 | 50% | 0.495 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -60.2 | -45 | 173.5 | -172.5 | 68.4 | 21.2 | 0 | 0 | 110.9 | G213 K220 E221 | G213-Q217 VanDerWaalsContact O-CB 3.26Å; G213-Q217 WeakPolarHBondContact O-CB 3.31Å; G213-Q217 PolarHBondContact O-N 2.9Å; G213-Q217 VanDerWaalsContact O-N 3.09Å; Q217-K220 PolarHBondContact O-N 3.41Å; Q217-E221 WeakPolarHBondContact CG-OE1 3.48Å; Q217-E221 PolarHBondContact NE2-OE1 3.01Å; Q217-E221 WeakPolarHBondContact O-CB 3.06Å; Q217-E221 VanDerWaalsContact O-CG 3.31Å; Q217-E221 WeakPolarHBondContact O-CG 3.43Å; Q217-E221 PolarHBondContact O-N 3.34Å |
| 218 | I | 35.9 | Very low | 33.3 | Very low | 49 Ų | 49 | 117.8 Ų | 117.8 | 25% | 0.251 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65.3 | -38.4 | 176.2 | -73 | 165.7 | 0 | 0 | 0 | 111.6 | Q214 L215 D216 N222 K299 | Q214-I218 VanDerWaalsContact O-CB 3.29Å; Q214-I218 WeakPolarHBondContact O-CB 3.33Å; Q214-I218 VanDerWaalsContact O-CD1 3.23Å; Q214-I218 WeakPolarHBondContact O-CD1 3.24Å; Q214-I218 WeakPolarHBondContact O-CG1 3.35Å; Q214-I218 PolarHBondContact O-N 2.99Å; L215-I218 PolarHBondContact O-N 3.46Å; D216-I218 VanDerWaalsContact C-N 3.34Å; I218-N222 WeakPolarHBondContact CG2-ND2 3.13Å; I218-N222 WeakPolarHBondContact O-CB 3.45Å; I218-N222 PolarHBondContact O-N 3.3Å; I218-N222 PolarHBondContact O-ND2 3.26Å; I218-K299 VanDerWaalsContact CD1-NZ 3.31Å |
| 219 | V | 36.7 | Very low | 33.7 | Very low | 71 Ų | 71 | 118.6 Ų | 118.6 | 43% | 0.43 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -65.9 | -46.3 | 176.6 | 170.4 | 0 | 0 | 0 | 0 | 110.4 | L215 D216 N222 H223 | L215-V219 WeakPolarHBondContact O-CG2 3.33Å; L215-V219 PolarHBondContact O-N 2.99Å; D216-V219 PolarHBondContact O-N 3.09Å; V219-N222 PolarHBondContact O-N 2.88Å; V219-H223 PolarHBondContact O-CD2 3.43Å; V219-H223 VanDerWaalsContact O-CD2 3.3Å; V219-H223 PolarHBondContact O-N 3.43Å |
| 220 | K | 37.7 | Very low | 33.5 | Very low | 145 Ų | 145 | 117.7 Ų | 117.7 | 63% | 0.63 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -64.1 | -45.1 | 177.1 | -72.4 | 176.2 | 179.1 | 175.6 | 0 | 112.8 | D216 Q217 N222 H223 A224 | D216-K220 WeakPolarHBondContact O-CB 3.31Å; D216-K220 WeakPolarHBondContact O-CG 3.32Å; D216-K220 PolarHBondContact O-N 3.28Å; Q217-K220 PolarHBondContact O-N 3.41Å; K220-N222 VanDerWaalsContact C-N 3.35Å; K220-N222 PolarHBondContact O-N 2.73Å; K220-H223 PolarHBondContact O-N 2.9Å; K220-A224 PolarHBondContact O-N 3.08Å |
| 221 | E | 35.7 | Very low | 33.8 | Very low | 71 Ų | 71 | 113.1 Ų | 113.1 | 33% | 0.332 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -58.7 | -43.4 | 174.6 | -77.3 | 173.9 | -162 | 0 | 0 | 111.6 | Q217 A224 L225 K283 | Q217-E221 WeakPolarHBondContact CG-OE1 3.48Å; Q217-E221 PolarHBondContact NE2-OE1 3.01Å; Q217-E221 WeakPolarHBondContact O-CB 3.06Å; Q217-E221 VanDerWaalsContact O-CG 3.31Å; Q217-E221 WeakPolarHBondContact O-CG 3.43Å; Q217-E221 PolarHBondContact O-N 3.34Å; E221-A224 PolarHBondContact O-N 3.35Å; E221-L225 WeakPolarHBondContact O-CB 3.26Å; E221-L225 VanDerWaalsContact O-CG 3.24Å; E221-L225 WeakPolarHBondContact O-CG 3.24Å; E221-L225 PolarHBondContact O-N 2.68Å; E221-K283 IonicContact OE2-NZ 2.71Å |
| 222 | N | 35.5 | Very low | 33.9 | Very low | 67 Ų | 67 | 111.2 Ų | 111.2 | 36% | 0.358 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -72.2 | -27.8 | 178.7 | -77 | -69.9 | 0 | 0 | 0 | 113.7 | I218 V219 K220 I226 | I218-N222 WeakPolarHBondContact CG2-ND2 3.13Å; I218-N222 WeakPolarHBondContact O-CB 3.45Å; I218-N222 PolarHBondContact O-N 3.3Å; I218-N222 PolarHBondContact O-ND2 3.26Å; V219-N222 PolarHBondContact O-N 2.88Å; K220-N222 VanDerWaalsContact C-N 3.35Å; K220-N222 PolarHBondContact O-N 2.73Å; N222-I226 WeakPolarHBondContact O-CD1 3.09Å; N222-I226 WeakPolarHBondContact O-CG1 3.36Å |
| 223 | H | 37.4 | Very low | 34.1 | Very low | 140 Ų | 140 | 115.9 Ų | 115.9 | 65% | 0.648 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -74.3 | -36.5 | 172.5 | -88.2 | -80.8 | 0 | 0 | 0 | 112.2 | V219 K220 I226 | V219-H223 PolarHBondContact O-CD2 3.43Å; V219-H223 VanDerWaalsContact O-CD2 3.3Å; V219-H223 PolarHBondContact O-N 3.43Å; K220-H223 PolarHBondContact O-N 2.9Å; H223-I226 PolarHBondContact O-N 3.35Å |
| 224 | A | 31.2 | Very low | 34.1 | Very low | 68 Ų | 68 | 118.2 Ų | 118.2 | 56% | 0.562 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.5 | -40.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K220 E221 I226 G227 | K220-A224 PolarHBondContact O-N 3.08Å; E221-A224 PolarHBondContact O-N 3.35Å; A224-I226 PolarHBondContact O-N 3.05Å; A224-I226 VanDerWaalsContact O-N 3.08Å; A224-G227 PolarHBondContact O-N 3.32Å |
| 225 | L | 36.6 | Very low | 34.3 | Very low | 139 Ų | 139 | 119.7 Ų | 119.7 | 73% | 0.728 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -5.1 | 179.6 | -72.4 | 169.3 | 0 | 0 | 0 | 115.2 | E221 | E221-L225 WeakPolarHBondContact O-CB 3.26Å; E221-L225 VanDerWaalsContact O-CG 3.24Å; E221-L225 WeakPolarHBondContact O-CG 3.24Å; E221-L225 PolarHBondContact O-N 2.68Å |
| 226 | I | 38.2 | Very low | 34.4 | Very low | 144 Ų | 144 | 117.9 Ų | 117.9 | 74% | 0.738 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -13.8 | 172.5 | -64.1 | 167.3 | 0 | 0 | 0 | 111.1 | N222 H223 A224 | N222-I226 WeakPolarHBondContact O-CD1 3.09Å; N222-I226 WeakPolarHBondContact O-CG1 3.36Å; H223-I226 PolarHBondContact O-N 3.35Å; A224-I226 PolarHBondContact O-N 3.05Å; A224-I226 VanDerWaalsContact O-N 3.08Å |
| 227 | G | 34.3 | Very low | 34.3 | Very low | 63 Ų | 63 | 122.7 Ų | 122.7 | 65% | 0.649 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -24.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | A224 | A224-G227 PolarHBondContact O-N 3.32Š|
| 228 | E | 28.6 | Very low | 34.7 | Very low | 173 Ų | 173 | 124.5 Ų | 124.5 | 81% | 0.808 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -112.4 | 105 | -168.9 | -62.2 | -154.2 | 133 | 0 | 0 | 114.3 | ||
| 229 | K | 42.3 | Very low | 34.5 | Very low | 199 Ų | 199 | 128.3 Ų | 128.3 | 87% | 0.865 | 70% | 0.7 | S | S | * | * | trans | 17.1 | 105.8 | 154 | -63.4 | 173.8 | -177.1 | 169.6 | 0 | 116.9 | ||||
| 230 | N | 27.8 | Very low | 34.8 | Very low | 159 Ų | 159 | 130.3 Ų | 130.3 | 85% | 0.85 | 72% | 0.717 | S | S | * | * | trans | -135.3 | 110.5 | 141.6 | -93 | -58.7 | 0 | 0 | 0 | 110.1 | V232 | N230-V232 PolarHBondContact O-N 3.13Å; N230-V232 VanDerWaalsContact O-N 3.07Å | ||
| 231 | G | 32.8 | Very low | 34.8 | Very low | 86 Ų | 86 | 125.6 Ų | 125.6 | 89% | 0.887 | 71% | 0.71 | S | S | * | * | trans | -77.1 | 89.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 232 | V | 29.3 | Very low | 35.1 | Very low | 120 Ų | 120 | 125 Ų | 125 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | trans | -113.3 | 116.7 | 161.4 | -179.3 | 0 | 0 | 0 | 0 | 107.7 | N230 T234 | N230-V232 PolarHBondContact O-N 3.13Å; N230-V232 VanDerWaalsContact O-N 3.07Å; V232-T234 VanDerWaalsContact C-N 3.28Å; V232-T234 PolarHBondContact O-N 2.72Å | ||
| 233 | K | 35.8 | Very low | 34.9 | Very low | 197 Ų | 197 | 127.9 Ų | 127.9 | 86% | 0.857 | 75% | 0.747 | S | S | * | * | trans | -68.9 | 82.4 | 177.3 | -70.1 | 178.3 | 179.1 | 175.2 | 0 | 110.1 | H235 | K233-H235 PolarHBondContact O-N 3.36Š| ||
| 234 | T | 29.7 | Very low | 35.1 | Very low | 108 Ų | 108 | 127.4 Ų | 127.4 | 66% | 0.663 | 75% | 0.749 | S | S | * | * | trans | -71.2 | 121.2 | 163.6 | 52.6 | 0 | 0 | 0 | 0 | 108.3 | V232 S236 | V232-T234 VanDerWaalsContact C-N 3.28Å; V232-T234 PolarHBondContact O-N 2.72Å; T234-S236 PolarHBondContact O-N 2.8Å | ||
| 235 | H | 35.9 | Very low | 35.9 | Very low | 182 Ų | 182 | 130.1 Ų | 130.1 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | trans | -68.9 | 78.4 | 176.8 | -75.3 | -105.7 | 0 | 0 | 0 | 110.9 | K233 | K233-H235 PolarHBondContact O-N 3.36Š| ||
| 236 | S | 34.4 | Very low | 36.4 | Very low | 80 Ų | 80 | 129.4 Ų | 129.4 | 56% | 0.559 | 76% | 0.761 | S | S | * | * | trans | -107 | 78.9 | 168.6 | 59.1 | 0 | 0 | 0 | 0 | 109 | T234 L238 | T234-S236 PolarHBondContact O-N 2.8Å; S236-L238 VanDerWaalsContact C-N 3.32Å; S236-L238 PolarHBondContact O-N 2.99Å | ||
| 237 | K | 32.4 | Very low | 37 | Very low | 209 Ų | 209 | 126.3 Ų | 126.3 | 91% | 0.909 | 76% | 0.764 | S | S | * | * | trans | -70.8 | 95.6 | 169.1 | -168.3 | 171.1 | -175.5 | 177 | 0 | 107.3 | S239 | K237-S239 PolarHBondContact O-N 3.01Š| ||
| 238 | L | 39.6 | Very low | 37.9 | Very low | 144 Ų | 144 | 132.4 Ų | 132.4 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | trans | -59.9 | 107.4 | -175.2 | -74.6 | 156.5 | 0 | 0 | 0 | 111 | S236 S240 | S236-L238 VanDerWaalsContact C-N 3.32Å; S236-L238 PolarHBondContact O-N 2.99Å; L238-S240 PolarHBondContact O-N 2.88Å; L238-S240 VanDerWaalsContact O-N 3.09Å | ||
| 239 | S | 32.6 | Very low | 39 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | -77 | 83.7 | 154.1 | -75.2 | 0 | 0 | 0 | 0 | 108.2 | K237 | K237-S239 PolarHBondContact O-N 3.01Š| ||
| 240 | S | 43.1 | Very low | 39.8 | Very low | 113 Ų | 113 | 128.4 Ų | 128.4 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | trans | -61.6 | 149 | 170.9 | 50.2 | 0 | 0 | 0 | 0 | 111 | L238 | L238-S240 PolarHBondContact O-N 2.88Å; L238-S240 VanDerWaalsContact O-N 3.09Å | ||
| 241 | G | 36.8 | Very low | 42 | Very low | 46 Ų | 46 | 125.6 Ų | 125.6 | 47% | 0.474 | 74% | 0.74 | S | S | . | * | trans | 172.2 | 109.1 | 170 | 0 | 0 | 0 | 0 | 0 | 109.8 | K250 | G241-K250 VanDerWaalsContact C-NZ 3.27Å; G241-K250 PolarHBondContact O-NZ 2.62Å | ||
| 242 | G | 43.1 | Very low | 44.3 | Very low | 58 Ų | 58 | 124.9 Ų | 124.9 | 60% | 0.598 | 71% | 0.713 | S | S | * | * | trans | -66.3 | -161.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | N244 K250 | G242-N244 PolarHBondContact O-N 3.09Å; G242-K250 PolarHBondContact O-NZ 2.68Å | ||
| 243 | C | 31.5 | Very low | 46.5 | Very low | 129 Ų | 129 | 122.7 Ų | 122.7 | 87% | 0.872 | 70% | 0.7 | S | S | * | * | trans | -61.1 | 128.7 | 171.4 | 49.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 244 | N | 41.1 | Very low | 48.9 | Very low | 130 Ų | 130 | 113.4 Ų | 113.4 | 70% | 0.695 | 66% | 0.659 | S | S | * | * | trans | -97.9 | 153.2 | 155.6 | -80.6 | 31.4 | 0 | 0 | 0 | 108.1 | G242 D246 | G242-N244 PolarHBondContact O-N 3.09Å; N244-D246 PolarHBondContact O-N 2.38Å | ||
| 245 | S | 48 | Very low | 51.2 | Low | 124 Ų | 124 | 116.9 Ų | 116.9 | 87% | 0.867 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -62.2 | -8.7 | -173.3 | -42.5 | 0 | 0 | 0 | 0 | 115.5 | ||
| 246 | D | 46.7 | Very low | 53.2 | Low | 124 Ų | 124 | 112.8 Ų | 112.8 | 66% | 0.663 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -109.7 | 58 | -162.7 | -50.6 | -59.1 | 0 | 0 | 0 | 113.9 | N244 K248 | N244-D246 PolarHBondContact O-N 2.38Å; D246-K248 PolarHBondContact O-N 3.3Å |
| 247 | G | 52 | Low | 55.3 | Low | 79 Ų | 79 | 111.2 Ų | 111.2 | 81% | 0.814 | 64% | 0.644 | S | S | * | * | trans | 55.2 | 1.4 | 153.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 248 | K | 51.7 | Low | 57.5 | Low | 192 Ų | 192 | 103.7 Ų | 103.7 | 84% | 0.835 | 63% | 0.626 | S | S | * | * | trans | -97.7 | 118 | -174.6 | -74 | 178.6 | -179.3 | 173.8 | 0 | 111.2 | D246 K250 | D246-K248 PolarHBondContact O-N 3.3Å; K248-K250 PolarHBondContact O-N 3.15Å; K248-K250 VanDerWaalsContact O-N 3.14Å | ||
| 249 | H | 51.6 | Low | 59.4 | Low | 170 Ų | 170 | 102.4 Ų | 102.4 | 79% | 0.787 | 61% | 0.614 | S | S | * | * | trans | -59 | 116.6 | 172.2 | -67.1 | -72.9 | 0 | 0 | 0 | 110.9 | N251 | H249-N251 PolarHBondContact O-N 3.11Š| ||
| 250 | K | 60.9 | Low | 61.5 | Low | 117 Ų | 117 | 100.3 Ų | 100.3 | 51% | 0.509 | 60% | 0.596 | S | S | . | * | trans | -73.4 | 113.2 | 174.6 | -122.9 | 170.5 | -172.4 | 167.3 | 0 | 109.1 | G241 G242 K248 F252 | G241-K250 VanDerWaalsContact C-NZ 3.27Å; G241-K250 PolarHBondContact O-NZ 2.62Å; G242-K250 PolarHBondContact O-NZ 2.68Å; K248-K250 PolarHBondContact O-N 3.15Å; K248-K250 VanDerWaalsContact O-N 3.14Å; K250-F252 WeakPolarHBondContact O-CD2 3.29Å; K250-F252 VanDerWaalsContact O-CE2 3.26Å; K250-F252 WeakPolarHBondContact O-CE2 3.23Å | ||
| 251 | N | 73.7 | Confident | 63.3 | Low | 100 Ų | 100 | 97 Ų | 97 | 54% | 0.535 | 57% | 0.567 | S | S | . | * | trans | -88.8 | 142.4 | 179.5 | -76.6 | -25.5 | 0 | 0 | 0 | 111 | H249 V260 | H249-N251 PolarHBondContact O-N 3.11Å; N251-V260 HydrophobicContact CB-CG1 3.54Å | ||
| 252 | F | 79.8 | Confident | 65.2 | Low | 71 Ų | 71 | 100.2 Ų | 100.2 | 31% | 0.311 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111 | 113.2 | -178.1 | -61.7 | -92.4 | 0 | 0 | 0 | 109.5 | K250 F261 A263 H264 L267 | K250-F252 WeakPolarHBondContact O-CD2 3.29Å; K250-F252 VanDerWaalsContact O-CE2 3.26Å; K250-F252 WeakPolarHBondContact O-CE2 3.23Å; F252-F261 PolarHBondContact N-O 2.78Å; F252-F261 PolarHBondContact O-N 3.18Å; F252-A263 VanDerWaalsContact CD2-C 3.41Å; F252-H264 HydrophobicContact CD1-CB 4Å; F252-H264 AromaticContact CD1-CD2 3.94Å; F252-H264 VanDerWaalsContact CD2-N 3.34Å; F252-H264 HydrophobicContact CE1-CB 3.77Å; F252-H264 HydrophobicContact CE2-CB 4.35Å; F252-H264 HydrophobicContact CG-CB 4.39Å; F252-H264 HydrophobicContact CZ-CB 3.95Å; F252-L267 HydrophobicContact CB-CB 4.27Å; F252-L267 HydrophobicContact CB-CD2 3.94Å |
| 253 | T | 76.8 | Confident | 66.8 | Low | 75 Ų | 75 | 98.5 Ų | 98.5 | 46% | 0.46 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.6 | 137 | -175.6 | -52.1 | 0 | 0 | 0 | 0 | 111.2 | E255 K259 V260 | T253-E255 PolarHBondContact O-N 3.42Å; T253-K259 CarbonylContact C-O 3.57Å; T253-K259 WeakPolarHBondContact CA-O 3.49Å; T253-V260 HydrophobicContact CG2-CG2 4.25Å |
| 254 | C | 84.5 | Confident | 68.7 | Low | 1 Ų | 1 | 97.5 Ų | 97.5 | 1% | 0.007 | 54% | 0.536 | C | S | . | . | trans | -79.5 | 114.9 | 171 | -176.2 | 0 | 0 | 0 | 0 | 110.5 | V256 C257 G258 K259 F261 L267 H274 | C254-V256 PolarHBondContact O-N 2.96Å; C254-C257 PolarHBondContact O-N 3.3Å; C254-G258 WeakPolarHBondContact O-CA 3.48Å; C254-G258 PolarHBondContact O-N 3.43Å; C254-K259 HydrophobicContact CB-CB 4.47Å; C254-K259 PolarHBondContact N-O 3.5Å; C254-F261 HydrophobicContact CB-CE2 4.1Å; C254-L267 HydrophobicContact CB-CD1 3.52Å; C254-H274 PolarHBondContact SG-NE2 3.47Å | ||
| 255 | E | 78.3 | Confident | 70.2 | Confident | 181 Ų | 181 | 98.6 Ų | 98.6 | 85% | 0.846 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -29.9 | -179.1 | -63.2 | 172.5 | 179.8 | 0 | 0 | 113.1 | T253 | T253-E255 PolarHBondContact O-N 3.42Š|
| 256 | V | 78.3 | Confident | 71.4 | Confident | 96 Ų | 96 | 93.8 Ų | 93.8 | 58% | 0.582 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -21.3 | -176.4 | -172.5 | 0 | 0 | 0 | 0 | 113.2 | C254 H274 | C254-V256 PolarHBondContact O-N 2.96Å; V256-H274 HydrophobicContact CB-CB 4.49Å; V256-H274 HydrophobicContact CG1-CB 4.03Å |
| 257 | C | 78.8 | Confident | 72.6 | Confident | 47 Ų | 47 | 89 Ų | 89 | 32% | 0.318 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -145.8 | 10.6 | -176.7 | 71.6 | 0 | 0 | 0 | 0 | 115.9 | C254 K259 H270 H274 | C254-C257 PolarHBondContact O-N 3.3Å; C257-K259 PolarHBondContact O-N 3.35Å; C257-K259 VanDerWaalsContact SG-CG 3.59Å; C257-H270 PolarHBondContact SG-NE2 2.79Å; C257-H274 WeakPolarHBondContact CB-CE1 3.48Å; C257-H274 PolarHBondContact SG-CE1 2.9Å; C257-H274 PolarHBondContact SG-NE2 3.36Å |
| 258 | G | 79.6 | Confident | 73.6 | Confident | 51 Ų | 51 | 88.8 Ų | 88.8 | 53% | 0.526 | 45% | 0.453 | S | S | . | . | trans | 65.1 | 4.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | C254 V260 | C254-G258 WeakPolarHBondContact O-CA 3.48Å; C254-G258 PolarHBondContact O-N 3.43Å; G258-V260 PolarHBondContact O-N 3.08Å | ||
| 259 | K | 77.9 | Confident | 74.7 | Confident | 118 Ų | 118 | 85.6 Ų | 85.6 | 51% | 0.513 | 44% | 0.436 | S | S | . | . | trans | -70.7 | 126.5 | -176.5 | -75.8 | -178.1 | -178.6 | 177.9 | 0 | 111.5 | T253 C254 C257 F261 | T253-K259 CarbonylContact C-O 3.57Å; T253-K259 WeakPolarHBondContact CA-O 3.49Å; C254-K259 HydrophobicContact CB-CB 4.47Å; C254-K259 PolarHBondContact N-O 3.5Å; C257-K259 PolarHBondContact O-N 3.35Å; C257-K259 VanDerWaalsContact SG-CG 3.59Å; K259-F261 HydrophobicContact CB-CE2 3.7Å; K259-F261 HydrophobicContact CB-CZ 3.9Å; K259-F261 WeakPolarHBondContact O-CD2 3.48Å; K259-F261 VanDerWaalsContact O-CE2 3.29Å; K259-F261 WeakPolarHBondContact O-CE2 3.41Å | ||
| 260 | V | 77.9 | Confident | 75.9 | Confident | 85 Ų | 85 | 78.4 Ų | 78.4 | 52% | 0.515 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 131.4 | -178.9 | -171.8 | 0 | 0 | 0 | 0 | 110.2 | N251 T253 G258 | N251-V260 HydrophobicContact CB-CG1 3.54Å; T253-V260 HydrophobicContact CG2-CG2 4.25Å; G258-V260 PolarHBondContact O-N 3.08Å |
| 261 | F | 80.4 | Confident | 76.4 | Confident | 42 Ų | 42 | 76.3 Ų | 76.3 | 18% | 0.184 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 142.7 | 178.7 | -61.4 | -84.9 | 0 | 0 | 0 | 110.4 | F252 C254 K259 A263 N266 L267 H270 | F252-F261 PolarHBondContact N-O 2.78Å; F252-F261 PolarHBondContact O-N 3.18Å; C254-F261 HydrophobicContact CB-CE2 4.1Å; K259-F261 HydrophobicContact CB-CE2 3.7Å; K259-F261 HydrophobicContact CB-CZ 3.9Å; K259-F261 WeakPolarHBondContact O-CD2 3.48Å; K259-F261 VanDerWaalsContact O-CE2 3.29Å; K259-F261 WeakPolarHBondContact O-CE2 3.41Å; F261-A263 PolarHBondContact O-N 3.41Å; F261-N266 HydrophobicContact CB-CB 4.08Å; F261-N266 HydrophobicContact CD1-CB 3.89Å; F261-N266 HydrophobicContact CG-CB 4.28Å; F261-L267 HydrophobicContact CB-CB 4.39Å; F261-L267 HydrophobicContact CD2-CB 3.98Å; F261-L267 HydrophobicContact CD2-CD1 3.85Å; F261-L267 HydrophobicContact CD2-CG 4.5Å; F261-L267 HydrophobicContact CE2-CD1 3.95Å; F261-L267 HydrophobicContact CG-CB 4.31Å; F261-H270 HydrophobicContact CE1-CB 4.08Å; F261-H270 HydrophobicContact CE2-CB 4.04Å; F261-H270 AromaticContact CE2-CD2 3.46Å; F261-H270 VanDerWaalsContact CE2-CD2 3.46Å; F261-H270 WeakPolarHBondContact CE2-CD2 3.45Å; F261-H270 AromaticContact CE2-CG 3.82Å; F261-H270 HydrophobicContact CZ-CB 3.57Å; F261-H270 AromaticContact CZ-CD2 3.39Å; F261-H270 WeakPolarHBondContact CZ-CD2 3.41Å; F261-H270 AromaticContact CZ-CG 3.32Å; F261-H270 AromaticContact CZ-ND1 3.93Å |
| 262 | N | 76.1 | Confident | 76.6 | Confident | 115 Ų | 115 | 72.5 Ų | 72.5 | 62% | 0.615 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -76.2 | -4.1 | 178.7 | 64.5 | -13.1 | 0 | 0 | 0 | 114.5 | N266 | N262-N266 PolarHBondContact OD1-ND2 3.02Š|
| 263 | A | 76.6 | Confident | 76.3 | Confident | 21 Ų | 21 | 72 Ų | 72 | 17% | 0.174 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -157.5 | 145.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F252 F261 Y265 N266 L267 | F252-A263 VanDerWaalsContact CD2-C 3.41Å; F261-A263 PolarHBondContact O-N 3.41Å; A263-Y265 VanDerWaalsContact C-N 3.34Å; A263-Y265 HydrophobicContact CB-CD1 3.52Å; A263-Y265 HydrophobicContact CB-CE1 3.34Å; A263-Y265 PolarHBondContact O-N 3.16Å; A263-N266 WeakPolarHBondContact O-CB 3.44Å; A263-N266 PolarHBondContact O-N 3.48Å; A263-N266 VanDerWaalsContact O-N 3.07Å; A263-L267 PolarHBondContact O-N 3.03Å |
| 264 | H | 72.1 | Confident | 76.2 | Confident | 108 Ų | 108 | 72 Ų | 72 | 50% | 0.5 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -56.6 | -43.3 | -179.6 | -173.1 | -101.8 | 0 | 0 | 0 | 112.8 | F252 N266 L267 T268 | F252-H264 HydrophobicContact CD1-CB 4Å; F252-H264 AromaticContact CD1-CD2 3.94Å; F252-H264 VanDerWaalsContact CD2-N 3.34Å; F252-H264 HydrophobicContact CE1-CB 3.77Å; F252-H264 HydrophobicContact CE2-CB 4.35Å; F252-H264 HydrophobicContact CG-CB 4.39Å; F252-H264 HydrophobicContact CZ-CB 3.95Å; H264-N266 PolarHBondContact O-N 3.48Å; H264-L267 WeakPolarHBondContact O-CB 3.49Å; H264-L267 PolarHBondContact O-N 2.97Å; H264-T268 PolarHBondContact CE1-OG1 3.38Å; H264-T268 PolarHBondContact O-N 3.12Å; H264-T268 PolarHBondContact O-OG1 3.37Å |
| 265 | Y | 72.7 | Confident | 75.4 | Confident | 153 Ų | 153 | 76.8 Ų | 76.8 | 60% | 0.6 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61 | -29.7 | 179.1 | 79.4 | -93.4 | 0 | 0 | 0 | 113.1 | A263 R269 | A263-Y265 VanDerWaalsContact C-N 3.34Å; A263-Y265 HydrophobicContact CB-CD1 3.52Å; A263-Y265 HydrophobicContact CB-CE1 3.34Å; A263-Y265 PolarHBondContact O-N 3.16Å; Y265-R269 VanDerWaalsContact O-CB 3.27Å; Y265-R269 WeakPolarHBondContact O-CB 3.48Å; Y265-R269 PolarHBondContact O-N 2.96Å |
| 266 | N | 73.6 | Confident | 74.8 | Confident | 23 Ų | 23 | 70.1 Ų | 70.1 | 12% | 0.123 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -71.9 | -39.9 | 175.9 | -79.9 | -40.8 | 0 | 0 | 0 | 111.4 | F261 N262 A263 H264 R269 H270 | F261-N266 HydrophobicContact CB-CB 4.08Å; F261-N266 HydrophobicContact CD1-CB 3.89Å; F261-N266 HydrophobicContact CG-CB 4.28Å; N262-N266 PolarHBondContact OD1-ND2 3.02Å; A263-N266 WeakPolarHBondContact O-CB 3.44Å; A263-N266 PolarHBondContact O-N 3.48Å; A263-N266 VanDerWaalsContact O-N 3.07Å; H264-N266 PolarHBondContact O-N 3.48Å; N266-R269 PolarHBondContact OD1-NH2 3.1Å; N266-H270 WeakPolarHBondContact O-CB 3.28Å; N266-H270 PolarHBondContact O-N 3.48Å; N266-H270 VanDerWaalsContact O-N 3.1Å |
| 267 | L | 71.5 | Confident | 74.2 | Confident | 23 Ų | 23 | 67.5 Ų | 67.5 | 12% | 0.12 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.9 | -47 | 172.1 | 176.1 | 59.1 | 0 | 0 | 0 | 111.2 | F252 C254 F261 A263 H264 R269 H270 M271 | F252-L267 HydrophobicContact CB-CB 4.27Å; F252-L267 HydrophobicContact CB-CD2 3.94Å; C254-L267 HydrophobicContact CB-CD1 3.52Å; F261-L267 HydrophobicContact CB-CB 4.39Å; F261-L267 HydrophobicContact CD2-CB 3.98Å; F261-L267 HydrophobicContact CD2-CD1 3.85Å; F261-L267 HydrophobicContact CD2-CG 4.5Å; F261-L267 HydrophobicContact CE2-CD1 3.95Å; F261-L267 HydrophobicContact CG-CB 4.31Å; A263-L267 PolarHBondContact O-N 3.03Å; H264-L267 WeakPolarHBondContact O-CB 3.49Å; H264-L267 PolarHBondContact O-N 2.97Å; L267-R269 VanDerWaalsContact C-N 3.31Å; L267-R269 PolarHBondContact O-N 2.9Å; L267-H270 WeakPolarHBondContact O-CA 3.33Å; L267-H270 VanDerWaalsContact O-CB 3.29Å; L267-H270 WeakPolarHBondContact O-CB 3.3Å; L267-H270 PolarHBondContact O-N 3.26Å; L267-M271 HydrophobicContact CD1-SD 3.9Å; L267-M271 HydrophobicContact CG-SD 4.46Å; L267-M271 WeakPolarHBondContact O-CG 3.44Å; L267-M271 PolarHBondContact O-N 2.79Å; L267-M271 VanDerWaalsContact O-N 3.09Å |
| 268 | T | 73.7 | Confident | 73.8 | Confident | 75 Ų | 75 | 72.7 Ų | 72.7 | 46% | 0.46 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -56.5 | -44.5 | 176.8 | -48.3 | 0 | 0 | 0 | 0 | 111.7 | H264 H270 M271 P272 | H264-T268 PolarHBondContact CE1-OG1 3.38Å; H264-T268 PolarHBondContact O-N 3.12Å; H264-T268 PolarHBondContact O-OG1 3.37Å; T268-H270 PolarHBondContact O-N 3.32Å; T268-M271 PolarHBondContact O-N 3.31Å; T268-P272 WeakPolarHBondContact O-CD 3.4Å |
| 269 | R | 73.3 | Confident | 73.4 | Confident | 125 Ų | 125 | 74.2 Ų | 74.2 | 47% | 0.472 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.1 | -17.9 | 175.1 | -175.6 | 171.8 | 63.3 | 160.2 | -5.9 | 113.7 | Y265 N266 L267 Q291 | Y265-R269 VanDerWaalsContact O-CB 3.27Å; Y265-R269 WeakPolarHBondContact O-CB 3.48Å; Y265-R269 PolarHBondContact O-N 2.96Å; N266-R269 PolarHBondContact OD1-NH2 3.1Å; L267-R269 VanDerWaalsContact C-N 3.31Å; L267-R269 PolarHBondContact O-N 2.9Å; R269-Q291 HydrophobicContact CG-CG 4.14Å |
| 270 | H | 76.9 | Confident | 73.1 | Confident | 20 Ų | 20 | 71.3 Ų | 71.3 | 9% | 0.093 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -85.2 | -31.7 | 175.9 | 176.8 | 56.5 | 0 | 0 | 0 | 113 | C257 F261 N266 L267 T268 P272 V273 H274 | C257-H270 PolarHBondContact SG-NE2 2.79Å; F261-H270 HydrophobicContact CE1-CB 4.08Å; F261-H270 HydrophobicContact CE2-CB 4.04Å; F261-H270 AromaticContact CE2-CD2 3.46Å; F261-H270 VanDerWaalsContact CE2-CD2 3.46Å; F261-H270 WeakPolarHBondContact CE2-CD2 3.45Å; F261-H270 AromaticContact CE2-CG 3.82Å; F261-H270 HydrophobicContact CZ-CB 3.57Å; F261-H270 AromaticContact CZ-CD2 3.39Å; F261-H270 WeakPolarHBondContact CZ-CD2 3.41Å; F261-H270 AromaticContact CZ-CG 3.32Å; F261-H270 AromaticContact CZ-ND1 3.93Å; N266-H270 WeakPolarHBondContact O-CB 3.28Å; N266-H270 PolarHBondContact O-N 3.48Å; N266-H270 VanDerWaalsContact O-N 3.1Å; L267-H270 WeakPolarHBondContact O-CA 3.33Å; L267-H270 VanDerWaalsContact O-CB 3.29Å; L267-H270 WeakPolarHBondContact O-CB 3.3Å; L267-H270 PolarHBondContact O-N 3.26Å; T268-H270 PolarHBondContact O-N 3.32Å; H270-P272 VanDerWaalsContact C-CD 3.41Å; H270-P272 VanDerWaalsContact C-N 3.34Å; H270-V273 WeakPolarHBondContact O-CB 3.47Å; H270-V273 VanDerWaalsContact O-CG2 3.25Å; H270-V273 WeakPolarHBondContact O-CG2 3.26Å; H270-V273 PolarHBondContact O-N 3.04Å; H270-H274 AromaticContact CD2-NE2 3.15Å; H270-H274 PolarHBondContact CD2-NE2 3.14Å; H270-H274 AromaticContact CE1-NE2 3.3Å; H270-H274 PolarHBondContact CE1-NE2 2.96Å; H270-H274 VanDerWaalsContact CE1-NE2 3.3Å; H270-H274 AromaticContact NE2-CD2 3.94Å; H270-H274 AromaticContact NE2-NE2 2.38Å; H270-H274 PolarHBondContact NE2-NE2 3.29Å |
| 271 | M | 71.5 | Confident | 72.5 | Confident | 72 Ų | 72 | 71 Ų | 71 | 36% | 0.355 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -52.3 | -37.3 | -177.8 | -59 | -51.1 | -72.3 | 0 | 0 | 115.6 | L267 T268 V273 H274 T275 | L267-M271 HydrophobicContact CD1-SD 3.9Å; L267-M271 HydrophobicContact CG-SD 4.46Å; L267-M271 WeakPolarHBondContact O-CG 3.44Å; L267-M271 PolarHBondContact O-N 2.79Å; L267-M271 VanDerWaalsContact O-N 3.09Å; T268-M271 PolarHBondContact O-N 3.31Å; M271-V273 PolarHBondContact O-N 3.09Å; M271-H274 PolarHBondContact O-N 3.29Å; M271-T275 PolarHBondContact O-N 3.18Å |
| 272 | P | 77.4 | Confident | 71.8 | Confident | 20 Ų | 20 | 69 Ų | 69 | 13% | 0.13 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -61.4 | -7.9 | 173.2 | -24.6 | 35.4 | 0 | 0 | 0 | 115.4 | T268 H270 A277 R290 | T268-P272 WeakPolarHBondContact O-CD 3.4Å; H270-P272 VanDerWaalsContact C-CD 3.41Å; H270-P272 VanDerWaalsContact C-N 3.34Å; P272-A277 HydrophobicContact CB-CB 4.49Å; P272-R290 HydrophobicContact CB-CB 4.37Å; P272-R290 HydrophobicContact CB-CG 4.14Å; P272-R290 PolarHBondContact O-NE 3.23Å |
| 273 | V | 75.5 | Confident | 71.4 | Confident | 62 Ų | 62 | 72.6 Ų | 72.6 | 38% | 0.376 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -70.4 | -39.5 | 170.4 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | H270 M271 R290 | H270-V273 WeakPolarHBondContact O-CB 3.47Å; H270-V273 VanDerWaalsContact O-CG2 3.25Å; H270-V273 WeakPolarHBondContact O-CG2 3.26Å; H270-V273 PolarHBondContact O-N 3.04Å; M271-V273 PolarHBondContact O-N 3.09Å; V273-R290 PolarHBondContact O-NH2 2.93Å |
| 274 | H | 73.2 | Confident | 70.6 | Confident | 75 Ų | 75 | 76.6 Ų | 76.6 | 35% | 0.347 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -44.8 | -175.2 | -61.6 | -53.4 | 0 | 0 | 0 | 112.7 | C254 V256 C257 H270 M271 G276 | C254-H274 PolarHBondContact SG-NE2 3.47Å; V256-H274 HydrophobicContact CB-CB 4.49Å; V256-H274 HydrophobicContact CG1-CB 4.03Å; C257-H274 WeakPolarHBondContact CB-CE1 3.48Å; C257-H274 PolarHBondContact SG-CE1 2.9Å; C257-H274 PolarHBondContact SG-NE2 3.36Å; H270-H274 AromaticContact CD2-NE2 3.15Å; H270-H274 PolarHBondContact CD2-NE2 3.14Å; H270-H274 AromaticContact CE1-NE2 3.3Å; H270-H274 PolarHBondContact CE1-NE2 2.96Å; H270-H274 VanDerWaalsContact CE1-NE2 3.3Å; H270-H274 AromaticContact NE2-CD2 3.94Å; H270-H274 AromaticContact NE2-NE2 2.38Å; H270-H274 PolarHBondContact NE2-NE2 3.29Å; M271-H274 PolarHBondContact O-N 3.29Å; H274-G276 PolarHBondContact O-N 3.37Å; H274-G276 VanDerWaalsContact O-N 3.17Å |
| 275 | T | 68.2 | Low | 70 | Confident | 101 Ų | 101 | 73.9 Ų | 73.9 | 62% | 0.62 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -74 | -3.6 | -179.6 | 58.9 | 0 | 0 | 0 | 0 | 113.6 | M271 A277 | M271-T275 PolarHBondContact O-N 3.18Å; T275-A277 PolarHBondContact O-N 3.47Å; T275-A277 VanDerWaalsContact OG1-CB 3.3Å; T275-A277 WeakPolarHBondContact OG1-CB 3.36Å; T275-A277 PolarHBondContact OG1-N 2.66Å |
| 276 | G | 66.3 | Low | 69.5 | Low | 41 Ų | 41 | 69.3 Ų | 69.3 | 42% | 0.423 | 39% | 0.386 | S | S | . | . | trans | 65.7 | -5.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | H274 | H274-G276 PolarHBondContact O-N 3.37Å; H274-G276 VanDerWaalsContact O-N 3.17Å | ||
| 277 | A | 65.5 | Low | 68.8 | Low | 40 Ų | 40 | 74.2 Ų | 74.2 | 33% | 0.331 | 41% | 0.406 | S | S | . | . | trans | -56.5 | 138.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P272 T275 | P272-A277 HydrophobicContact CB-CB 4.49Å; T275-A277 PolarHBondContact O-N 3.47Å; T275-A277 VanDerWaalsContact OG1-CB 3.3Å; T275-A277 WeakPolarHBondContact OG1-CB 3.36Å; T275-A277 PolarHBondContact OG1-N 2.66Å | ||
| 278 | R | 70.7 | Confident | 68.4 | Low | 156 Ų | 156 | 73.6 Ų | 73.6 | 59% | 0.589 | 41% | 0.405 | S | S | * | . | trans | -128.8 | 73.1 | 179.4 | -74.7 | 165.7 | 179.6 | -128.8 | 17.6 | 109.1 | F280 G288 F289 | R278-F280 PolarHBondContact O-N 2.82Å; R278-G288 VanDerWaalsContact CD-O 3.31Å; R278-G288 WeakPolarHBondContact CD-O 3.18Å; R278-G288 PolarHBondContact NH1-O 3.09Å; R278-F289 CarbonylContact C-O 3.44Å; R278-F289 VanDerWaalsContact CA-O 3.28Å; R278-F289 WeakPolarHBondContact CA-O 3.37Å | ||
| 279 | P | 69.9 | Low | 68.1 | Low | 83 Ų | 83 | 72.2 Ų | 72.2 | 54% | 0.539 | 39% | 0.393 | S | S | . | . | trans | -61.8 | -21.7 | -170.9 | -21.8 | 34 | 0 | 0 | 0 | 113.6 | ||||
| 280 | F | 71.2 | Confident | 67.8 | Low | 58 Ų | 58 | 71.2 Ų | 71.2 | 25% | 0.254 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 88.4 | -173.2 | -55.1 | -77.2 | 0 | 0 | 0 | 110.2 | R278 F289 Q291 A292 L295 | R278-F280 PolarHBondContact O-N 2.82Å; F280-F289 HydrophobicContact CB-CB 4.29Å; F280-F289 PolarHBondContact N-O 2.94Å; F280-F289 VanDerWaalsContact N-O 3.13Å; F280-F289 WeakPolarHBondContact O-CB 3.45Å; F280-F289 WeakPolarHBondContact O-CD2 3.44Å; F280-F289 PolarHBondContact O-N 3.08Å; F280-Q291 VanDerWaalsContact CD2-CA 3.48Å; F280-A292 HydrophobicContact CD1-CB 3.82Å; F280-A292 HydrophobicContact CE1-CB 3.68Å; F280-A292 HydrophobicContact CG-CB 4.36Å; F280-A292 HydrophobicContact CZ-CB 4.1Å; F280-L295 HydrophobicContact CB-CB 3.98Å; F280-L295 HydrophobicContact CB-CD2 3.82Å |
| 281 | V | 66.1 | Low | 67.3 | Low | 78 Ų | 78 | 73.1 Ų | 73.1 | 47% | 0.473 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 137.1 | -179.5 | -175.1 | 0 | 0 | 0 | 0 | 111.7 | K283 | V281-K283 PolarHBondContact O-N 3.11Å |
| 282 | C | 65.1 | Low | 66.7 | Low | 1 Ų | 1 | 72.2 Ų | 72.2 | 1% | 0.007 | 40% | 0.402 | C | S | . | . | trans | -77.4 | 112.5 | 172.1 | -170.9 | 0 | 0 | 0 | 0 | 111 | V284 C285 G286 K287 F289 L295 H302 | C282-V284 PolarHBondContact O-N 3.42Å; C282-V284 VanDerWaalsContact O-N 3.1Å; C282-C285 PolarHBondContact O-N 3.06Å; C282-G286 WeakPolarHBondContact O-CA 3.4Å; C282-G286 PolarHBondContact O-N 3.07Å; C282-K287 PolarHBondContact N-O 3.07Å; C282-F289 HydrophobicContact CB-CE2 4.37Å; C282-L295 HydrophobicContact CB-CD1 3.62Å; C282-H302 VanDerWaalsContact SG-CD2 3.56Å; C282-H302 PolarHBondContact SG-NE2 3.42Å; C282-H302 VanDerWaalsContact SG-NE2 3.41Å | ||
| 283 | K | 68.6 | Low | 65.7 | Low | 189 Ų | 189 | 74.9 Ų | 74.9 | 82% | 0.822 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -20.7 | 176.9 | -61.6 | -172.8 | -178.5 | -179.5 | 0 | 113.8 | E221 V281 | E221-K283 IonicContact OE2-NZ 2.71Å; V281-K283 PolarHBondContact O-N 3.11Å |
| 284 | V | 60.3 | Low | 64.9 | Low | 106 Ų | 106 | 73.7 Ų | 73.7 | 64% | 0.642 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -32.7 | -177.8 | -175.6 | 0 | 0 | 0 | 0 | 113.5 | C282 H302 | C282-V284 PolarHBondContact O-N 3.42Å; C282-V284 VanDerWaalsContact O-N 3.1Å; V284-H302 HydrophobicContact CB-CB 4.48Å; V284-H302 HydrophobicContact CG1-CB 4.1Å; V284-H302 HydrophobicContact CG2-CB 4.46Å |
| 285 | C | 59.3 | Low | 64.1 | Low | 50 Ų | 50 | 71 Ų | 71 | 34% | 0.338 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.3 | 10.8 | -172.3 | 72.7 | 0 | 0 | 0 | 0 | 114.8 | C282 K287 H298 H302 | C282-C285 PolarHBondContact O-N 3.06Å; C285-K287 PolarHBondContact O-N 2.73Å; C285-H298 PolarHBondContact SG-NE2 2.88Å; C285-H302 PolarHBondContact SG-NE2 3.19Å; C285-H302 VanDerWaalsContact SG-NE2 3.37Å |
| 286 | G | 61.1 | Low | 63.7 | Low | 57 Ų | 57 | 69.9 Ų | 69.9 | 59% | 0.588 | 40% | 0.398 | S | S | * | . | trans | 66.8 | -3.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | C282 G288 | C282-G286 WeakPolarHBondContact O-CA 3.4Å; C282-G286 PolarHBondContact O-N 3.07Å; G286-G288 PolarHBondContact O-N 3.33Å; G286-G288 VanDerWaalsContact O-N 3.16Å | ||
| 287 | K | 60.5 | Low | 62.9 | Low | 126 Ų | 126 | 74 Ų | 74 | 55% | 0.548 | 40% | 0.401 | S | S | . | . | trans | -68.5 | 116.6 | -176.5 | -70.7 | 179.8 | -178.8 | 175.5 | 0 | 111 | C282 C285 F289 | C282-K287 PolarHBondContact N-O 3.07Å; C285-K287 PolarHBondContact O-N 2.73Å; K287-F289 HydrophobicContact CB-CE2 3.77Å; K287-F289 HydrophobicContact CB-CZ 4.05Å; K287-F289 WeakPolarHBondContact O-CD2 3.34Å; K287-F289 WeakPolarHBondContact O-CE2 3.44Å | ||
| 288 | G | 61.8 | Low | 62.7 | Low | 10 Ų | 10 | 73.1 Ų | 73.1 | 10% | 0.103 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 136.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R278 G286 | R278-G288 VanDerWaalsContact CD-O 3.31Å; R278-G288 WeakPolarHBondContact CD-O 3.18Å; R278-G288 PolarHBondContact NH1-O 3.09Å; G286-G288 PolarHBondContact O-N 3.33Å; G286-G288 VanDerWaalsContact O-N 3.16Å |
| 289 | F | 67 | Low | 61.8 | Low | 46 Ų | 46 | 69.5 Ų | 69.5 | 20% | 0.202 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 153.3 | 178.5 | -62.9 | -91.3 | 0 | 0 | 0 | 111.9 | R278 F280 C282 K287 L295 H298 | R278-F289 CarbonylContact C-O 3.44Å; R278-F289 VanDerWaalsContact CA-O 3.28Å; R278-F289 WeakPolarHBondContact CA-O 3.37Å; F280-F289 HydrophobicContact CB-CB 4.29Å; F280-F289 PolarHBondContact N-O 2.94Å; F280-F289 VanDerWaalsContact N-O 3.13Å; F280-F289 WeakPolarHBondContact O-CB 3.45Å; F280-F289 WeakPolarHBondContact O-CD2 3.44Å; F280-F289 PolarHBondContact O-N 3.08Å; C282-F289 HydrophobicContact CB-CE2 4.37Å; K287-F289 HydrophobicContact CB-CE2 3.77Å; K287-F289 HydrophobicContact CB-CZ 4.05Å; K287-F289 WeakPolarHBondContact O-CD2 3.34Å; K287-F289 WeakPolarHBondContact O-CE2 3.44Å; F289-L295 HydrophobicContact CB-CB 4.26Å; F289-L295 HydrophobicContact CD2-CB 4.06Å; F289-L295 HydrophobicContact CD2-CD1 3.82Å; F289-L295 HydrophobicContact CE2-CD1 4.06Å; F289-L295 HydrophobicContact CG-CB 4.28Å; F289-H298 HydrophobicContact CE1-CB 4.03Å; F289-H298 HydrophobicContact CE2-CB 3.97Å; F289-H298 AromaticContact CE2-CD2 3.28Å; F289-H298 WeakPolarHBondContact CE2-CD2 3.48Å; F289-H298 AromaticContact CE2-CG 3.62Å; F289-H298 AromaticContact CE2-NE2 3.96Å; F289-H298 HydrophobicContact CZ-CB 3.56Å; F289-H298 AromaticContact CZ-CD2 3.37Å; F289-H298 WeakPolarHBondContact CZ-CD2 3.27Å; F289-H298 AromaticContact CZ-CG 3.23Å; F289-H298 AromaticContact CZ-ND1 3.74Å; F289-H298 AromaticContact CZ-NE2 3.93Å |
| 290 | R | 67.1 | Low | 61 | Low | 104 Ų | 104 | 68 Ų | 68 | 39% | 0.392 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -81.4 | -15.9 | 178.8 | -72.3 | 175.8 | 170.6 | 156.2 | -3.7 | 114 | P272 V273 | P272-R290 HydrophobicContact CB-CB 4.37Å; P272-R290 HydrophobicContact CB-CG 4.14Å; P272-R290 PolarHBondContact O-NE 3.23Å; V273-R290 PolarHBondContact O-NH2 2.93Å |
| 291 | Q | 66.8 | Low | 60.2 | Low | 60 Ų | 60 | 70.6 Ų | 70.6 | 28% | 0.28 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -143.3 | 140.3 | -176.7 | -60.6 | -179.2 | 11.9 | 0 | 0 | 112 | R269 F280 S293 T294 L295 | R269-Q291 HydrophobicContact CG-CG 4.14Å; F280-Q291 VanDerWaalsContact CD2-CA 3.48Å; Q291-S293 VanDerWaalsContact C-N 3.32Å; Q291-S293 PolarHBondContact O-N 3.02Å; Q291-T294 HydrophobicContact CB-CG2 4.37Å; Q291-T294 PolarHBondContact O-N 2.8Å; Q291-T294 VanDerWaalsContact O-N 3.08Å; Q291-T294 PolarHBondContact O-OG1 3.35Å; Q291-L295 PolarHBondContact O-N 2.83Å; Q291-L295 VanDerWaalsContact O-N 3.16Å |
| 292 | A | 58.3 | Low | 59.3 | Low | 53 Ų | 53 | 70 Ų | 70 | 44% | 0.438 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -55 | -41.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F280 T294 L295 C296 | F280-A292 HydrophobicContact CD1-CB 3.82Å; F280-A292 HydrophobicContact CE1-CB 3.68Å; F280-A292 HydrophobicContact CG-CB 4.36Å; F280-A292 HydrophobicContact CZ-CB 4.1Å; A292-T294 VanDerWaalsContact C-N 3.29Å; A292-T294 PolarHBondContact O-N 3.02Å; A292-L295 PolarHBondContact O-N 3.03Å; A292-C296 WeakPolarHBondContact O-CB 3.47Å; A292-C296 PolarHBondContact O-N 3.06Å |
| 293 | S | 57 | Low | 58.3 | Low | 76 Ų | 76 | 74.2 Ų | 74.2 | 53% | 0.531 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.5 | -38.2 | 176.8 | 56.3 | 0 | 0 | 0 | 0 | 112.7 | Q291 C296 R297 | Q291-S293 VanDerWaalsContact C-N 3.32Å; Q291-S293 PolarHBondContact O-N 3.02Å; S293-C296 PolarHBondContact O-N 3.28Å; S293-R297 PolarHBondContact O-N 2.81Å |
| 294 | T | 59.2 | Low | 57 | Low | 37 Ų | 37 | 72.8 Ų | 72.8 | 23% | 0.227 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -73.2 | -34.9 | 177.8 | 58.3 | 0 | 0 | 0 | 0 | 112.8 | Q291 A292 H298 | Q291-T294 HydrophobicContact CB-CG2 4.37Å; Q291-T294 PolarHBondContact O-N 2.8Å; Q291-T294 VanDerWaalsContact O-N 3.08Å; Q291-T294 PolarHBondContact O-OG1 3.35Å; A292-T294 VanDerWaalsContact C-N 3.29Å; A292-T294 PolarHBondContact O-N 3.02Å; T294-H298 WeakPolarHBondContact O-CB 3.25Å; T294-H298 PolarHBondContact O-N 3.37Å |
| 295 | L | 57.1 | Low | 55.7 | Low | 19 Ų | 19 | 72.3 Ų | 72.3 | 10% | 0.099 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.5 | -42.7 | 169.6 | 172.3 | 61.8 | 0 | 0 | 0 | 111.2 | F280 C282 F289 Q291 A292 H298 K299 | F280-L295 HydrophobicContact CB-CB 3.98Å; F280-L295 HydrophobicContact CB-CD2 3.82Å; C282-L295 HydrophobicContact CB-CD1 3.62Å; F289-L295 HydrophobicContact CB-CB 4.26Å; F289-L295 HydrophobicContact CD2-CB 4.06Å; F289-L295 HydrophobicContact CD2-CD1 3.82Å; F289-L295 HydrophobicContact CE2-CD1 4.06Å; F289-L295 HydrophobicContact CG-CB 4.28Å; Q291-L295 PolarHBondContact O-N 2.83Å; Q291-L295 VanDerWaalsContact O-N 3.16Å; A292-L295 PolarHBondContact O-N 3.03Å; L295-H298 CarbonylContact O-C 3.57Å; L295-H298 WeakPolarHBondContact O-CA 2.85Å; L295-H298 WeakPolarHBondContact O-CB 3.22Å; L295-H298 PolarHBondContact O-N 3.4Å; L295-H298 VanDerWaalsContact O-N 3.08Å; L295-K299 HydrophobicContact CD1-CG 4.42Å; L295-K299 WeakPolarHBondContact O-CG 3.28Å; L295-K299 PolarHBondContact O-N 2.84Å |
| 296 | C | 58.6 | Low | 54.3 | Low | 78 Ų | 78 | 77.5 Ų | 77.5 | 53% | 0.527 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.1 | -50.2 | 179.5 | -171.9 | 0 | 0 | 0 | 0 | 111.2 | A292 S293 H298 K299 | A292-C296 WeakPolarHBondContact O-CB 3.47Å; A292-C296 PolarHBondContact O-N 3.06Å; S293-C296 PolarHBondContact O-N 3.28Å; C296-H298 VanDerWaalsContact C-N 3.28Å; C296-H298 PolarHBondContact O-N 2.94Å; C296-K299 WeakPolarHBondContact O-CB 3.38Å; C296-K299 PolarHBondContact O-N 3.07Å; C296-K299 VanDerWaalsContact O-N 3.16Å |
| 297 | R | 50.3 | Low | 53.1 | Low | 128 Ų | 128 | 78.2 Ų | 78.2 | 48% | 0.483 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.5 | -37.9 | 172.2 | -179.4 | 171.4 | 60 | -163.6 | -1.8 | 112.6 | S293 K299 I300 | S293-R297 PolarHBondContact O-N 2.81Å; R297-K299 VanDerWaalsContact C-N 3.33Å; R297-K299 PolarHBondContact O-N 3.17Å; R297-I300 WeakPolarHBondContact O-CB 3.29Å; R297-I300 WeakPolarHBondContact O-CG1 3.42Å; R297-I300 PolarHBondContact O-N 3.02Å |
| 298 | H | 60.5 | Low | 51.3 | Low | 21 Ų | 21 | 78.4 Ų | 78.4 | 10% | 0.097 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65.5 | -32.6 | 177.6 | 174.6 | 61.6 | 0 | 0 | 0 | 113.3 | C285 F289 T294 L295 C296 I300 I301 H302 | C285-H298 PolarHBondContact SG-NE2 2.88Å; F289-H298 HydrophobicContact CE1-CB 4.03Å; F289-H298 HydrophobicContact CE2-CB 3.97Å; F289-H298 AromaticContact CE2-CD2 3.28Å; F289-H298 WeakPolarHBondContact CE2-CD2 3.48Å; F289-H298 AromaticContact CE2-CG 3.62Å; F289-H298 AromaticContact CE2-NE2 3.96Å; F289-H298 HydrophobicContact CZ-CB 3.56Å; F289-H298 AromaticContact CZ-CD2 3.37Å; F289-H298 WeakPolarHBondContact CZ-CD2 3.27Å; F289-H298 AromaticContact CZ-CG 3.23Å; F289-H298 AromaticContact CZ-ND1 3.74Å; F289-H298 AromaticContact CZ-NE2 3.93Å; T294-H298 WeakPolarHBondContact O-CB 3.25Å; T294-H298 PolarHBondContact O-N 3.37Å; L295-H298 CarbonylContact O-C 3.57Å; L295-H298 WeakPolarHBondContact O-CA 2.85Å; L295-H298 WeakPolarHBondContact O-CB 3.22Å; L295-H298 PolarHBondContact O-N 3.4Å; L295-H298 VanDerWaalsContact O-N 3.08Å; C296-H298 VanDerWaalsContact C-N 3.28Å; C296-H298 PolarHBondContact O-N 2.94Å; H298-I300 PolarHBondContact O-N 3.13Å; H298-I301 WeakPolarHBondContact O-CB 3.29Å; H298-I301 PolarHBondContact O-N 3.24Å; H298-I301 VanDerWaalsContact O-N 3.12Å; H298-H302 AromaticContact CD2-NE2 3.77Å; H298-H302 AromaticContact CE1-NE2 3.48Å; H298-H302 PolarHBondContact CE1-NE2 3.31Å; H298-H302 AromaticContact NE2-CD2 3.91Å; H298-H302 AromaticContact NE2-CE1 3.9Å; H298-H302 AromaticContact NE2-NE2 3Å; H298-H302 PolarHBondContact NE2-NE2 3.15Å |
| 299 | K | 51.7 | Low | 49.7 | Very low | 79 Ų | 79 | 79.9 Ų | 79.9 | 34% | 0.343 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.3 | -28.3 | 177.3 | -72.7 | -179.6 | 177.1 | -172.1 | 0 | 113.3 | I218 L295 C296 R297 I301 H302 T303 | I218-K299 VanDerWaalsContact CD1-NZ 3.31Å; L295-K299 HydrophobicContact CD1-CG 4.42Å; L295-K299 WeakPolarHBondContact O-CG 3.28Å; L295-K299 PolarHBondContact O-N 2.84Å; C296-K299 WeakPolarHBondContact O-CB 3.38Å; C296-K299 PolarHBondContact O-N 3.07Å; C296-K299 VanDerWaalsContact O-N 3.16Å; R297-K299 VanDerWaalsContact C-N 3.33Å; R297-K299 PolarHBondContact O-N 3.17Å; K299-I301 PolarHBondContact O-N 3.08Å; K299-H302 PolarHBondContact O-N 3.44Å; K299-T303 PolarHBondContact O-N 3.02Å; K299-T303 PolarHBondContact O-OG1 3.05Å |
| 300 | I | 54.4 | Low | 47.9 | Very low | 53 Ų | 53 | 83.8 Ų | 83.8 | 27% | 0.272 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.1 | -30.5 | 177.4 | -53.8 | 174.2 | 0 | 0 | 0 | 111.6 | R297 H298 H302 T303 | R297-I300 WeakPolarHBondContact O-CB 3.29Å; R297-I300 WeakPolarHBondContact O-CG1 3.42Å; R297-I300 PolarHBondContact O-N 3.02Å; H298-I300 PolarHBondContact O-N 3.13Å; I300-H302 PolarHBondContact O-N 3.11Å; I300-T303 PolarHBondContact O-N 3.42Å |
| 301 | I | 54.1 | Low | 46 | Very low | 111 Ų | 111 | 88.2 Ų | 88.2 | 57% | 0.569 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -66.7 | -28.6 | 177.6 | -54.1 | -180 | 0 | 0 | 0 | 111.3 | H298 K299 | H298-I301 WeakPolarHBondContact O-CB 3.29Å; H298-I301 PolarHBondContact O-N 3.24Å; H298-I301 VanDerWaalsContact O-N 3.12Å; K299-I301 PolarHBondContact O-N 3.08Å |
| 302 | H | 47.3 | Very low | 44.1 | Very low | 66 Ų | 66 | 92.1 Ų | 92.1 | 31% | 0.306 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -90 | -26.8 | 179.8 | -58.9 | -58.2 | 0 | 0 | 0 | 113.3 | C282 V284 C285 H298 K299 I300 | C282-H302 VanDerWaalsContact SG-CD2 3.56Å; C282-H302 PolarHBondContact SG-NE2 3.42Å; C282-H302 VanDerWaalsContact SG-NE2 3.41Å; V284-H302 HydrophobicContact CB-CB 4.48Å; V284-H302 HydrophobicContact CG1-CB 4.1Å; V284-H302 HydrophobicContact CG2-CB 4.46Å; C285-H302 PolarHBondContact SG-NE2 3.19Å; C285-H302 VanDerWaalsContact SG-NE2 3.37Å; H298-H302 AromaticContact CD2-NE2 3.77Å; H298-H302 AromaticContact CE1-NE2 3.48Å; H298-H302 PolarHBondContact CE1-NE2 3.31Å; H298-H302 AromaticContact NE2-CD2 3.91Å; H298-H302 AromaticContact NE2-CE1 3.9Å; H298-H302 AromaticContact NE2-NE2 3Å; H298-H302 PolarHBondContact NE2-NE2 3.15Å; K299-H302 PolarHBondContact O-N 3.44Å; I300-H302 PolarHBondContact O-N 3.11Å |
| 303 | T | 43 | Very low | 43.2 | Very low | 90 Ų | 90 | 93.6 Ų | 93.6 | 55% | 0.552 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -88.7 | -5.7 | -174.9 | 54 | 0 | 0 | 0 | 0 | 114.5 | K299 I300 V305 | K299-T303 PolarHBondContact O-N 3.02Å; K299-T303 PolarHBondContact O-OG1 3.05Å; I300-T303 PolarHBondContact O-N 3.42Å; T303-V305 WeakPolarHBondContact O-CG2 3.38Å; T303-V305 PolarHBondContact O-N 3.27Å |
| 304 | Q | 42.2 | Very low | 41.9 | Very low | 159 Ų | 159 | 91.9 Ų | 91.9 | 74% | 0.743 | 50% | 0.501 | S | S | * | . | trans | 47.6 | 23 | 175.1 | -82.4 | -163.6 | 1.8 | 0 | 0 | 116.6 | R306 | Q304-R306 VanDerWaalsContact C-N 3.28Å; Q304-R306 PolarHBondContact O-N 2.78Å | ||
| 305 | V | 32.1 | Very low | 40.7 | Very low | 96 Ų | 96 | 96.6 Ų | 96.6 | 58% | 0.582 | 52% | 0.52 | S | S | * | . | trans | -72.7 | 86.5 | 174.4 | -171.3 | 0 | 0 | 0 | 0 | 108.9 | T303 H307 | T303-V305 WeakPolarHBondContact O-CG2 3.38Å; T303-V305 PolarHBondContact O-N 3.27Å; V305-H307 PolarHBondContact O-N 3.28Å; V305-H307 VanDerWaalsContact O-N 3.14Å | ||
| 306 | R | 31.2 | Very low | 39.7 | Very low | 159 Ų | 159 | 99.8 Ų | 99.8 | 60% | 0.6 | 53% | 0.534 | S | S | * | . | trans | -59.8 | 111.2 | 171.4 | -82.9 | -179.2 | 157.2 | 102.6 | -6.6 | 109 | Q304 T308 Q315 | Q304-R306 VanDerWaalsContact C-N 3.28Å; Q304-R306 PolarHBondContact O-N 2.78Å; R306-T308 PolarHBondContact O-N 3.32Å; R306-T308 VanDerWaalsContact O-N 3.1Å; R306-Q315 VanDerWaalsContact NE-OE1 3.08Å | ||
| 307 | H | 35.5 | Very low | 38.8 | Very low | 71 Ų | 71 | 102.5 Ų | 102.5 | 33% | 0.329 | 54% | 0.543 | S | S | . | . | trans | -69.6 | 105 | 164.8 | -67.5 | -71.1 | 0 | 0 | 0 | 109.1 | V305 C309 F319 L322 | V305-H307 PolarHBondContact O-N 3.28Å; V305-H307 VanDerWaalsContact O-N 3.14Å; H307-C309 PolarHBondContact O-N 3.48Å; H307-F319 AromaticContact NE2-CD2 3.69Å; H307-L322 HydrophobicContact CB-CD1 4.17Å; H307-L322 HydrophobicContact CB-CD2 3.82Å | ||
| 308 | T | 22.4 | Very low | 38.3 | Very low | 131 Ų | 131 | 99.9 Ų | 99.9 | 80% | 0.804 | 54% | 0.538 | S | S | * | . | trans | -74.9 | 117.5 | 176.7 | 44 | 0 | 0 | 0 | 0 | 110.4 | R306 | R306-T308 PolarHBondContact O-N 3.32Å; R306-T308 VanDerWaalsContact O-N 3.1Å | ||
| 309 | C | 28.3 | Very low | 37.1 | Very low | 41 Ų | 41 | 104.4 Ų | 104.4 | 28% | 0.277 | 56% | 0.558 | S | S | . | * | trans | -84.4 | 133.8 | 166.9 | -172.1 | 0 | 0 | 0 | 0 | 109.2 | H307 R311 | H307-C309 PolarHBondContact O-N 3.48Å; C309-R311 PolarHBondContact O-N 3.3Å | ||
| 310 | S | 29.8 | Very low | 36.5 | Very low | 128 Ų | 128 | 104 Ų | 104 | 90% | 0.895 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -79.3 | 49.9 | -179 | -169.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 311 | R | 25.5 | Very low | 36 | Very low | 196 Ų | 196 | 104.1 Ų | 104.1 | 74% | 0.74 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -139.9 | 139.2 | 158.2 | -83.5 | -176.1 | 93.5 | 98.3 | -6.3 | 108.4 | C309 G313 | C309-R311 PolarHBondContact O-N 3.3Å; R311-G313 PolarHBondContact O-N 3.09Å |
| 312 | P | 27.4 | Very low | 35.2 | Very low | 142 Ų | 142 | 101.2 Ų | 101.2 | 92% | 0.922 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 124.5 | -173.9 | 27.1 | -33.9 | 0 | 0 | 0 | 111.3 | ||
| 313 | G | 38.8 | Very low | 34.7 | Very low | 84 Ų | 84 | 102.4 Ų | 102.4 | 87% | 0.866 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 123.1 | -3.9 | 161 | 0 | 0 | 0 | 0 | 0 | 118.5 | R311 | R311-G313 PolarHBondContact O-N 3.09Š|
| 314 | S | 31.2 | Very low | 34.3 | Very low | 41 Ų | 41 | 102.8 Ų | 102.8 | 29% | 0.287 | 56% | 0.56 | S | S | . | * | trans | -121.3 | 109.3 | -179.6 | 54.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 315 | Q | 33.2 | Very low | 34.2 | Very low | 135 Ų | 135 | 98.9 Ų | 98.9 | 63% | 0.631 | 54% | 0.542 | S | S | * | . | trans | -99.2 | 133.1 | 171.2 | -56.3 | -175.7 | 15.3 | 0 | 0 | 108.7 | R306 | R306-Q315 VanDerWaalsContact NE-OE1 3.08Š| ||
| 316 | F | 36.8 | Very low | 34.5 | Very low | 87 Ų | 87 | 100 Ų | 100 | 38% | 0.382 | 55% | 0.549 | S | S | . | . | trans | -133.5 | 128.8 | -179.4 | -62.7 | -72.6 | 0 | 0 | 0 | 111.9 | N318 | F316-N318 VanDerWaalsContact C-N 3.27Å; F316-N318 PolarHBondContact O-N 3.14Å | ||
| 317 | D | 38.8 | Very low | 34.9 | Very low | 135 Ų | 135 | 101.8 Ų | 101.8 | 72% | 0.722 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -84.7 | 14.5 | -172.7 | -49.7 | -47.6 | 0 | 0 | 0 | 114.5 | ||
| 318 | N | 39.3 | Very low | 34.8 | Very low | 72 Ų | 72 | 104 Ų | 104 | 39% | 0.385 | 57% | 0.57 | S | S | . | * | trans | -145.9 | 131.9 | -173.7 | -78.4 | -74.5 | 0 | 0 | 0 | 113.5 | F316 S320 T321 | F316-N318 VanDerWaalsContact C-N 3.27Å; F316-N318 PolarHBondContact O-N 3.14Å; N318-S320 VanDerWaalsContact C-N 3.29Å; N318-S320 PolarHBondContact O-N 3.14Å; N318-T321 WeakPolarHBondContact CB-OG1 3.39Å; N318-T321 PolarHBondContact O-N 3.02Å; N318-T321 VanDerWaalsContact O-N 3.13Å; N318-T321 PolarHBondContact O-OG1 3.36Å | ||
| 319 | F | 35.2 | Very low | 35.4 | Very low | 117 Ų | 117 | 104.2 Ų | 104.2 | 51% | 0.513 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -58.8 | -37.3 | 171.8 | -173.3 | -102.9 | 0 | 0 | 0 | 112.7 | H307 T321 L322 T323 | H307-F319 AromaticContact NE2-CD2 3.69Å; F319-T321 PolarHBondContact O-N 2.92Å; F319-T321 VanDerWaalsContact O-N 3.12Å; F319-L322 WeakPolarHBondContact O-CB 3.46Å; F319-L322 PolarHBondContact O-N 3.04Å; F319-T323 PolarHBondContact O-N 3.49Å; F319-T323 PolarHBondContact O-OG1 3.17Å |
| 320 | S | 39.6 | Very low | 35.7 | Very low | 70 Ų | 70 | 111.4 Ų | 111.4 | 49% | 0.49 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.3 | -16.2 | 177.3 | -52.6 | 0 | 0 | 0 | 0 | 114.6 | N318 | N318-S320 VanDerWaalsContact C-N 3.29Å; N318-S320 PolarHBondContact O-N 3.14Å |
| 321 | T | 43.5 | Very low | 35.8 | Very low | 55 Ų | 55 | 110.6 Ų | 110.6 | 34% | 0.337 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -92.4 | -18.9 | 172.3 | 17.1 | 0 | 0 | 0 | 0 | 113.1 | N318 F319 F324 H325 | N318-T321 WeakPolarHBondContact CB-OG1 3.39Å; N318-T321 PolarHBondContact O-N 3.02Å; N318-T321 VanDerWaalsContact O-N 3.13Å; N318-T321 PolarHBondContact O-OG1 3.36Å; F319-T321 PolarHBondContact O-N 2.92Å; F319-T321 VanDerWaalsContact O-N 3.12Å; T321-F324 VanDerWaalsContact O-CB 3.28Å; T321-F324 WeakPolarHBondContact O-CB 3.29Å; T321-F324 PolarHBondContact O-N 3.31Å; T321-H325 PolarHBondContact O-N 3.17Å |
| 322 | L | 38.5 | Very low | 36.3 | Very low | 51 Ų | 51 | 108.4 Ų | 108.4 | 27% | 0.267 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -76.6 | -46.5 | -179.4 | -166.5 | 74.1 | 0 | 0 | 0 | 111.3 | H307 F319 F324 H325 | H307-L322 HydrophobicContact CB-CD1 4.17Å; H307-L322 HydrophobicContact CB-CD2 3.82Å; F319-L322 WeakPolarHBondContact O-CB 3.46Å; F319-L322 PolarHBondContact O-N 3.04Å; L322-F324 PolarHBondContact O-N 3.47Å; L322-F324 VanDerWaalsContact O-N 3.08Å; L322-H325 PolarHBondContact O-N 3.43Å; L322-H325 VanDerWaalsContact O-N 3.16Å |
| 323 | T | 37.2 | Very low | 36.5 | Very low | 91 Ų | 91 | 106.6 Ų | 106.6 | 56% | 0.558 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -59.7 | -18.3 | 169.6 | -22.4 | 0 | 0 | 0 | 0 | 112.4 | F319 T326 | F319-T323 PolarHBondContact O-N 3.49Å; F319-T323 PolarHBondContact O-OG1 3.17Å; T323-T326 PolarHBondContact O-OG1 3.05Å |
| 324 | F | 33.6 | Very low | 36.2 | Very low | 98 Ų | 98 | 105.8 Ų | 105.8 | 43% | 0.43 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -86 | -20.4 | -177.8 | -146.1 | -90.2 | 0 | 0 | 0 | 113.5 | T321 L322 F333 L337 | T321-F324 VanDerWaalsContact O-CB 3.28Å; T321-F324 WeakPolarHBondContact O-CB 3.29Å; T321-F324 PolarHBondContact O-N 3.31Å; L322-F324 PolarHBondContact O-N 3.47Å; L322-F324 VanDerWaalsContact O-N 3.08Å; F324-F333 HydrophobicContact CE1-CE1 4.23Å; F324-F333 HydrophobicContact CE1-CZ 4.19Å; F324-F333 AromaticContact CE2-CD2 3.96Å; F324-F333 HydrophobicContact CE2-CD2 3.96Å; F324-F333 HydrophobicContact CE2-CE1 4.49Å; F324-F333 AromaticContact CE2-CE2 3.4Å; F324-F333 HydrophobicContact CE2-CE2 3.4Å; F324-F333 VanDerWaalsContact CE2-CE2 3.4Å; F324-F333 AromaticContact CE2-CZ 3.72Å; F324-F333 HydrophobicContact CE2-CZ 3.72Å; F324-F333 AromaticContact CZ-CD1 3.94Å; F324-F333 HydrophobicContact CZ-CD1 3.94Å; F324-F333 AromaticContact CZ-CD2 3.64Å; F324-F333 HydrophobicContact CZ-CD2 3.64Å; F324-F333 AromaticContact CZ-CE1 3.57Å; F324-F333 HydrophobicContact CZ-CE1 3.57Å; F324-F333 AromaticContact CZ-CE2 3.25Å; F324-F333 HydrophobicContact CZ-CE2 3.25Å; F324-F333 AromaticContact CZ-CG 3.97Å; F324-F333 HydrophobicContact CZ-CG 3.97Å; F324-F333 AromaticContact CZ-CZ 3.22Å; F324-F333 HydrophobicContact CZ-CZ 3.22Å; F324-L337 HydrophobicContact CE2-CD1 4.17Å |
| 325 | H | 40.4 | Very low | 36.1 | Very low | 77 Ų | 77 | 111.1 Ų | 111.1 | 36% | 0.356 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -91.3 | -18.5 | -178.9 | -166 | -72.4 | 0 | 0 | 0 | 113 | T321 L322 I328 | T321-H325 PolarHBondContact O-N 3.17Å; L322-H325 PolarHBondContact O-N 3.43Å; L322-H325 VanDerWaalsContact O-N 3.16Å; H325-I328 WeakPolarHBondContact O-CD1 3.46Å; H325-I328 WeakPolarHBondContact O-CG1 3.33Å |
| 326 | T | 38.7 | Very low | 36 | Very low | 119 Ų | 119 | 113 Ų | 113 | 73% | 0.73 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -85.7 | -11.1 | -178.1 | 44.5 | 0 | 0 | 0 | 0 | 114.4 | T323 | T323-T326 PolarHBondContact O-OG1 3.05Š|
| 327 | Y | 39.3 | Very low | 35.9 | Very low | 197 Ų | 197 | 114.1 Ų | 114.1 | 77% | 0.773 | 58% | 0.583 | S | S | * | * | trans | -120.4 | 55.4 | 178.5 | -157.4 | -95.9 | 0 | 0 | 0 | 112.4 | N329 | Y327-N329 PolarHBondContact O-N 3.36Å; Y327-N329 VanDerWaalsContact O-N 3.11Å | ||
| 328 | I | 34 | Very low | 35.8 | Very low | 117 Ų | 117 | 111.5 Ų | 111.5 | 60% | 0.6 | 59% | 0.588 | S | S | * | * | trans | -82.3 | 82.1 | 175 | -58.9 | 172.1 | 0 | 0 | 0 | 109.1 | H325 | H325-I328 WeakPolarHBondContact O-CD1 3.46Å; H325-I328 WeakPolarHBondContact O-CG1 3.33Å | ||
| 329 | N | 33.7 | Very low | 36.2 | Very low | 136 Ų | 136 | 112.4 Ų | 112.4 | 73% | 0.727 | 59% | 0.593 | S | S | * | * | trans | -158.9 | 70.9 | 164.9 | -102.6 | -43.4 | 0 | 0 | 0 | 114.7 | Y327 | Y327-N329 PolarHBondContact O-N 3.36Å; Y327-N329 VanDerWaalsContact O-N 3.11Å | ||
| 330 | K | 35.5 | Very low | 36.4 | Very low | 191 Ų | 191 | 112.8 Ų | 112.8 | 83% | 0.83 | 59% | 0.592 | S | S | * | * | trans | 51.4 | -164.2 | 161.7 | -72.8 | -179.6 | 174.3 | 175.2 | 0 | 115.6 | L332 | K330-L332 PolarHBondContact O-N 3.37Š| ||
| 331 | P | 31.4 | Very low | 36.9 | Very low | 111 Ų | 111 | 117.4 Ų | 117.4 | 72% | 0.721 | 60% | 0.603 | S | S | * | * | S | Bend | -98.4 | -0.4 | -69.8 | 34.7 | -31.6 | 0 | 0 | 0 | 113.8 | F333 | P331-F333 PolarHBondContact O-N 3.02Å; P331-F333 VanDerWaalsContact O-N 3.15Å | |
| 332 | L | 35.5 | Very low | 37 | Very low | 151 Ų | 151 | 116 Ų | 116 | 79% | 0.791 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -71.4 | -8.4 | -171.8 | -71.2 | 169.1 | 0 | 0 | 0 | 114.5 | K330 C334 | K330-L332 PolarHBondContact O-N 3.37Å; L332-C334 VanDerWaalsContact C-N 3.33Å; L332-C334 PolarHBondContact O-N 3.22Å |
| 333 | F | 32.6 | Very low | 37.4 | Very low | 103 Ų | 103 | 117.5 Ų | 117.5 | 45% | 0.452 | 60% | 0.599 | S | S | . | * | G | 310 helix | trans | -75.4 | -13 | -169.7 | -178.3 | -109.5 | 0 | 0 | 0 | 115.5 | F324 P331 M335 L337 | F324-F333 HydrophobicContact CE1-CE1 4.23Å; F324-F333 HydrophobicContact CE1-CZ 4.19Å; F324-F333 AromaticContact CE2-CD2 3.96Å; F324-F333 HydrophobicContact CE2-CD2 3.96Å; F324-F333 HydrophobicContact CE2-CE1 4.49Å; F324-F333 AromaticContact CE2-CE2 3.4Å; F324-F333 HydrophobicContact CE2-CE2 3.4Å; F324-F333 VanDerWaalsContact CE2-CE2 3.4Å; F324-F333 AromaticContact CE2-CZ 3.72Å; F324-F333 HydrophobicContact CE2-CZ 3.72Å; F324-F333 AromaticContact CZ-CD1 3.94Å; F324-F333 HydrophobicContact CZ-CD1 3.94Å; F324-F333 AromaticContact CZ-CD2 3.64Å; F324-F333 HydrophobicContact CZ-CD2 3.64Å; F324-F333 AromaticContact CZ-CE1 3.57Å; F324-F333 HydrophobicContact CZ-CE1 3.57Å; F324-F333 AromaticContact CZ-CE2 3.25Å; F324-F333 HydrophobicContact CZ-CE2 3.25Å; F324-F333 AromaticContact CZ-CG 3.97Å; F324-F333 HydrophobicContact CZ-CG 3.97Å; F324-F333 AromaticContact CZ-CZ 3.22Å; F324-F333 HydrophobicContact CZ-CZ 3.22Å; P331-F333 PolarHBondContact O-N 3.02Å; P331-F333 VanDerWaalsContact O-N 3.15Å; F333-M335 PolarHBondContact O-N 2.98Å; F333-L337 HydrophobicContact CE2-CB 4.09Å; F333-L337 HydrophobicContact CE2-CD1 3.78Å; F333-L337 HydrophobicContact CE2-CG 3.66Å; F333-L337 HydrophobicContact CZ-CB 3.7Å; F333-L337 HydrophobicContact CZ-CD1 3.65Å; F333-L337 HydrophobicContact CZ-CG 3.7Å |
| 334 | C | 32.8 | Very low | 37.7 | Very low | 68 Ų | 68 | 118.4 Ų | 118.4 | 46% | 0.459 | 60% | 0.595 | S | S | . | * | G | 310 helix | trans | -59.1 | -20.9 | -179.3 | -169.1 | 0 | 0 | 0 | 0 | 114 | L332 H343 | L332-C334 VanDerWaalsContact C-N 3.33Å; L332-C334 PolarHBondContact O-N 3.22Å; C334-H343 VanDerWaalsContact SG-CD2 3.57Å |
| 335 | M | 28.2 | Very low | 38.3 | Very low | 153 Ų | 153 | 114.1 Ų | 114.1 | 75% | 0.754 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -88.8 | -22.4 | -169.5 | -172.9 | 155.2 | 50.4 | 0 | 0 | 115.3 | F333 | F333-M335 PolarHBondContact O-N 2.98Š|
| 336 | F | 32.3 | Very low | 38.7 | Very low | 175 Ų | 175 | 114.6 Ų | 114.6 | 77% | 0.768 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | -23.8 | -157.9 | -144.2 | -99.5 | 0 | 0 | 0 | 118.7 | ||
| 337 | L | 33.8 | Very low | 38.8 | Very low | 109 Ų | 109 | 115.7 Ų | 115.7 | 57% | 0.571 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -112.2 | 113.7 | -176.7 | -68.1 | -167.1 | 0 | 0 | 0 | 115.7 | F324 F333 N339 | F324-L337 HydrophobicContact CE2-CD1 4.17Å; F333-L337 HydrophobicContact CE2-CB 4.09Å; F333-L337 HydrophobicContact CE2-CD1 3.78Å; F333-L337 HydrophobicContact CE2-CG 3.66Å; F333-L337 HydrophobicContact CZ-CB 3.7Å; F333-L337 HydrophobicContact CZ-CD1 3.65Å; F333-L337 HydrophobicContact CZ-CG 3.7Å; L337-N339 PolarHBondContact O-N 2.99Å |
| 338 | G | 37.6 | Very low | 39.1 | Very low | 81 Ų | 81 | 109.4 Ų | 109.4 | 84% | 0.835 | 57% | 0.566 | S | S | * | * | S | Bend | 75.2 | -18.3 | 125.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||
| 339 | N | 46.2 | Very low | 39.9 | Very low | 91 Ų | 91 | 106.2 Ų | 106.2 | 49% | 0.487 | 56% | 0.562 | S | S | . | * | trans | -154.6 | 32.3 | 177.7 | -112.2 | -27.3 | 0 | 0 | 0 | 112.7 | L337 K341 N342 H343 | L337-N339 PolarHBondContact O-N 2.99Å; N339-K341 PolarHBondContact O-N 3.22Å; N339-K341 VanDerWaalsContact O-N 3.09Å; N339-N342 HydrophobicContact CB-CB 4.32Å; N339-N342 PolarHBondContact O-N 2.79Å; N339-N342 PolarHBondContact OD1-ND2 3.22Å; N339-H343 PolarHBondContact O-N 3.48Å | ||
| 340 | Y | 40.9 | Very low | 40.6 | Very low | 125 Ų | 125 | 104.9 Ų | 104.9 | 49% | 0.49 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -48 | -41.3 | -178.8 | 172.4 | -100 | 0 | 0 | 0 | 113.1 | H343 K344 | Y340-H343 PolarHBondContact O-N 3.42Å; Y340-K344 HydrophobicContact CE1-CD 4.02Å; Y340-K344 WeakPolarHBondContact O-CB 3.37Å; Y340-K344 PolarHBondContact O-N 3.14Å; Y340-K344 PolarHBondContact OH-NZ 3.45Å |
| 341 | K | 48.8 | Very low | 41.5 | Very low | 167 Ų | 167 | 100.9 Ų | 100.9 | 73% | 0.726 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -55.5 | -58.6 | 173.7 | -65.7 | -171.9 | 177.6 | -172.7 | 0 | 110.7 | N339 H343 K344 L345 | N339-K341 PolarHBondContact O-N 3.22Å; N339-K341 VanDerWaalsContact O-N 3.09Å; K341-H343 VanDerWaalsContact C-N 3.35Å; K341-H343 PolarHBondContact O-N 3.34Å; K341-K344 WeakPolarHBondContact O-CB 3.43Å; K341-K344 PolarHBondContact O-N 3.47Å; K341-K344 VanDerWaalsContact O-N 3.14Å; K341-L345 WeakPolarHBondContact O-CG 3.45Å; K341-L345 PolarHBondContact O-N 2.98Å |
| 342 | N | 45.4 | Very low | 43.1 | Very low | 24 Ų | 24 | 100.8 Ų | 100.8 | 13% | 0.128 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -64.9 | -31.5 | -177.6 | -69.7 | -27.3 | 0 | 0 | 0 | 114.4 | N339 Q364 | N339-N342 HydrophobicContact CB-CB 4.32Å; N339-N342 PolarHBondContact O-N 2.79Å; N339-N342 PolarHBondContact OD1-ND2 3.22Å; N342-Q364 PolarHBondContact ND2-NE2 3.14Å; N342-Q364 PolarHBondContact ND2-OE1 3.39Å |
| 343 | H | 47.3 | Very low | 44.4 | Very low | 83 Ų | 83 | 97 Ų | 97 | 38% | 0.384 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -76.5 | -33.6 | 173.2 | -176.2 | 61.5 | 0 | 0 | 0 | 112.2 | C334 N339 Y340 K341 L345 T346 H347 | C334-H343 VanDerWaalsContact SG-CD2 3.57Å; N339-H343 PolarHBondContact O-N 3.48Å; Y340-H343 PolarHBondContact O-N 3.42Å; K341-H343 VanDerWaalsContact C-N 3.35Å; K341-H343 PolarHBondContact O-N 3.34Å; H343-L345 VanDerWaalsContact C-N 3.29Å; H343-L345 PolarHBondContact O-N 3.34Å; H343-T346 PolarHBondContact O-N 2.68Å; H343-T346 PolarHBondContact O-OG1 2.67Å; H343-H347 AromaticContact CD2-NE2 3.79Å; H343-H347 AromaticContact CE1-NE2 3.4Å; H343-H347 PolarHBondContact CE1-NE2 3.07Å; H343-H347 AromaticContact NE2-CD2 3.77Å; H343-H347 AromaticContact NE2-NE2 3.03Å; H343-H347 PolarHBondContact NE2-NE2 3.39Å; H343-H347 PolarHBondContact O-CD2 3.38Å; H343-H347 VanDerWaalsContact O-CD2 3.28Å |
| 344 | K | 44 | Very low | 46 | Very low | 111 Ų | 111 | 99 Ų | 99 | 48% | 0.483 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.2 | -35.7 | 170.2 | -167.1 | 177.8 | -171.7 | 172.6 | 0 | 111.3 | Y340 K341 T346 H347 S348 | Y340-K344 HydrophobicContact CE1-CD 4.02Å; Y340-K344 WeakPolarHBondContact O-CB 3.37Å; Y340-K344 PolarHBondContact O-N 3.14Å; Y340-K344 PolarHBondContact OH-NZ 3.45Å; K341-K344 WeakPolarHBondContact O-CB 3.43Å; K341-K344 PolarHBondContact O-N 3.47Å; K341-K344 VanDerWaalsContact O-N 3.14Å; K344-T346 PolarHBondContact O-N 2.92Å; K344-H347 PolarHBondContact O-N 2.94Å; K344-S348 VanDerWaalsContact O-CB 3.26Å; K344-S348 WeakPolarHBondContact O-CB 3.46Å; K344-S348 PolarHBondContact O-N 3.48Å |
| 345 | L | 47.1 | Very low | 47.9 | Very low | 7 Ų | 7 | 95.8 Ų | 95.8 | 4% | 0.037 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -60.3 | -29.2 | 172.9 | -63.1 | -179.2 | 0 | 0 | 0 | 113.4 | K341 H343 G349 E350 Q352 H363 | K341-L345 WeakPolarHBondContact O-CG 3.45Å; K341-L345 PolarHBondContact O-N 2.98Å; H343-L345 VanDerWaalsContact C-N 3.29Å; H343-L345 PolarHBondContact O-N 3.34Å; L345-G349 PolarHBondContact O-N 3Å; L345-G349 VanDerWaalsContact O-N 3.08Å; L345-E350 HydrophobicContact CD2-CB 3.64Å; L345-Q352 HydrophobicContact CD1-CB 4.5Å; L345-Q352 HydrophobicContact CD1-CG 3.92Å; L345-Q352 HydrophobicContact CD2-CG 3.96Å; L345-H363 HydrophobicContact CB-CB 4.46Å |
| 346 | T | 47 | Very low | 49.9 | Very low | 88 Ų | 88 | 93.3 Ų | 93.3 | 54% | 0.54 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -74.1 | -24.3 | 173.8 | 40.1 | 0 | 0 | 0 | 0 | 114 | H343 K344 | H343-T346 PolarHBondContact O-N 2.68Å; H343-T346 PolarHBondContact O-OG1 2.67Å; K344-T346 PolarHBondContact O-N 2.92Å |
| 347 | H | 41.6 | Very low | 51.7 | Low | 141 Ų | 141 | 89.8 Ų | 89.8 | 65% | 0.653 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -88.1 | -29.7 | 171.1 | -63 | -70.6 | 0 | 0 | 0 | 112.6 | H343 K344 | H343-H347 AromaticContact CD2-NE2 3.79Å; H343-H347 AromaticContact CE1-NE2 3.4Å; H343-H347 PolarHBondContact CE1-NE2 3.07Å; H343-H347 AromaticContact NE2-CD2 3.77Å; H343-H347 AromaticContact NE2-NE2 3.03Å; H343-H347 PolarHBondContact NE2-NE2 3.39Å; H343-H347 PolarHBondContact O-CD2 3.38Å; H343-H347 VanDerWaalsContact O-CD2 3.28Å; K344-H347 PolarHBondContact O-N 2.94Å |
| 348 | S | 44.8 | Very low | 53.7 | Low | 65 Ų | 65 | 87 Ų | 87 | 46% | 0.455 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -91.9 | -6.7 | -174.4 | -159.9 | 0 | 0 | 0 | 0 | 114.3 | K344 E350 | K344-S348 VanDerWaalsContact O-CB 3.26Å; K344-S348 WeakPolarHBondContact O-CB 3.46Å; K344-S348 PolarHBondContact O-N 3.48Å; S348-E350 PolarHBondContact O-N 3.5Å |
| 349 | G | 51.4 | Low | 55.1 | Low | 50 Ų | 50 | 89.1 Ų | 89.1 | 52% | 0.515 | 45% | 0.454 | S | S | . | . | trans | 69 | -12.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | L345 K351 H363 | L345-G349 PolarHBondContact O-N 3Å; L345-G349 VanDerWaalsContact O-N 3.08Å; G349-K351 PolarHBondContact O-N 3.18Å; G349-H363 PolarHBondContact O-CE1 2.67Å | ||
| 350 | E | 47.7 | Very low | 56.3 | Low | 109 Ų | 109 | 91 Ų | 91 | 51% | 0.509 | 46% | 0.458 | S | S | . | . | trans | -64.2 | 124 | -176.1 | -73 | -175.9 | -176.6 | 0 | 0 | 113 | L345 S348 H363 | L345-E350 HydrophobicContact CD2-CB 3.64Å; S348-E350 PolarHBondContact O-N 3.5Å; E350-H363 PolarHBondContact O-ND1 3.2Å | ||
| 351 | K | 55.9 | Low | 57.5 | Low | 106 Ų | 106 | 86.5 Ų | 86.5 | 46% | 0.461 | 45% | 0.446 | S | S | . | . | trans | -110.5 | 91.6 | -179.9 | -72.1 | 165 | 170.9 | -179.9 | 0 | 109.6 | G349 Y353 A361 F362 H363 | G349-K351 PolarHBondContact O-N 3.18Å; K351-Y353 PolarHBondContact O-N 3.44Å; K351-A361 HydrophobicContact CB-CB 3.41Å; K351-A361 VanDerWaalsContact CB-CB 3.41Å; K351-A361 HydrophobicContact CD-CB 4.11Å; K351-A361 WeakPolarHBondContact CD-O 3.26Å; K351-A361 HydrophobicContact CG-CB 4.33Å; K351-F362 CarbonylContact C-O 3.21Å; K351-H363 WeakPolarHBondContact CE-NE2 3.44Å; K351-H363 WeakPolarHBondContact CG-CE1 3.41Å; K351-H363 WeakPolarHBondContact CG-NE2 3.26Å | ||
| 352 | Q | 63.3 | Low | 58.4 | Low | 109 Ų | 109 | 80.8 Ų | 80.8 | 51% | 0.509 | 42% | 0.421 | S | S | . | . | trans | -71.9 | -23.7 | -170.5 | -65.2 | -173.3 | -22 | 0 | 0 | 114.4 | L345 F362 | L345-Q352 HydrophobicContact CD1-CB 4.5Å; L345-Q352 HydrophobicContact CD1-CG 3.92Å; L345-Q352 HydrophobicContact CD2-CG 3.96Å; Q352-F362 PolarHBondContact N-O 3.16Å | ||
| 353 | Y | 63.7 | Low | 58.8 | Low | 72 Ų | 72 | 81.9 Ų | 81.9 | 28% | 0.282 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 99.8 | -172.9 | -60.5 | -77.2 | 0 | 0 | 0 | 111.1 | K351 A361 F362 Q364 I365 | K351-Y353 PolarHBondContact O-N 3.44Å; Y353-A361 CarbonylContact O-C 3.6Å; Y353-A361 WeakPolarHBondContact O-CA 3.45Å; Y353-F362 PolarHBondContact N-O 3.37Å; Y353-F362 PolarHBondContact O-N 3.45Å; Y353-Q364 VanDerWaalsContact CD2-C 3.49Å; Y353-I365 HydrophobicContact CD1-CB 3.95Å; Y353-I365 HydrophobicContact CD1-CD1 4.39Å; Y353-I365 HydrophobicContact CD1-CG1 4.03Å; Y353-I365 HydrophobicContact CD2-CB 4.49Å; Y353-I365 HydrophobicContact CE1-CB 3.79Å; Y353-I365 HydrophobicContact CE1-CD1 4.03Å; Y353-I365 HydrophobicContact CE1-CG1 4.04Å; Y353-I365 HydrophobicContact CE2-CB 4.33Å; Y353-I365 HydrophobicContact CG-CB 4.29Å |
| 354 | K | 66.6 | Low | 59.6 | Low | 145 Ų | 145 | 79.5 Ų | 79.5 | 63% | 0.63 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 140.2 | -179.3 | -63.2 | -177.6 | -178.5 | 177.9 | 0 | 112.1 | A361 | K354-A361 HydrophobicContact CG-CB 3.95Å |
| 355 | C | 71.7 | Confident | 60.6 | Low | 1 Ų | 1 | 78.9 Ų | 78.9 | 1% | 0.007 | 42% | 0.416 | C | S | . | . | trans | -73.4 | 125.4 | 169.7 | 176.6 | 0 | 0 | 0 | 0 | 111 | I357 C358 N359 K360 L368 H371 M372 | C355-I357 VanDerWaalsContact C-N 3.26Å; C355-I357 PolarHBondContact O-N 3.38Å; C355-I357 PolarHBondContact SG-N 3.04Å; C355-C358 PolarHBondContact SG-N 3.06Å; C355-C358 VanDerWaalsContact SG-N 3.43Å; C355-N359 WeakPolarHBondContact O-CA 3.2Å; C355-N359 PolarHBondContact O-N 3.48Å; C355-K360 HydrophobicContact CB-CB 4.4Å; C355-K360 VanDerWaalsContact CB-O 3.24Å; C355-K360 WeakPolarHBondContact CB-O 3.33Å; C355-K360 PolarHBondContact N-O 3.01Å; C355-L368 HydrophobicContact CB-CD1 3.94Å; C355-H371 VanDerWaalsContact SG-CD2 3.55Å; C355-H371 PolarHBondContact SG-NE2 3.11Å; C355-M372 WeakPolarHBondContact SG-CE 3.44Å | ||
| 356 | S | 70.3 | Confident | 61.5 | Low | 101 Ų | 101 | 84.2 Ų | 84.2 | 71% | 0.706 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -21.9 | 177.9 | 47.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 357 | I | 70.4 | Confident | 62.5 | Low | 101 Ų | 101 | 83 Ų | 83 | 52% | 0.518 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -40 | -172 | -57.5 | 175 | 0 | 0 | 0 | 112.1 | C355 M372 H375 | C355-I357 VanDerWaalsContact C-N 3.26Å; C355-I357 PolarHBondContact O-N 3.38Å; C355-I357 PolarHBondContact SG-N 3.04Å; I357-M372 HydrophobicContact CB-CE 4.39Å; I357-M372 HydrophobicContact CD1-CE 3.76Å; I357-M372 HydrophobicContact CG1-CE 4.05Å; I357-H375 HydrophobicContact CD1-CB 3.57Å; I357-H375 HydrophobicContact CG2-CB 4.48Å; I357-H375 WeakPolarHBondContact CG2-ND1 3.5Å |
| 358 | C | 76.2 | Confident | 63.8 | Low | 50 Ų | 50 | 77.5 Ų | 77.5 | 34% | 0.338 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.3 | 17.2 | -179.9 | 72.7 | 0 | 0 | 0 | 0 | 114.7 | C355 K360 H371 H375 | C355-C358 PolarHBondContact SG-N 3.06Å; C355-C358 VanDerWaalsContact SG-N 3.43Å; C358-K360 PolarHBondContact O-N 3.25Å; C358-H371 PolarHBondContact SG-NE2 3.01Å; C358-H375 PolarHBondContact SG-CE1 2.8Å; C358-H375 PolarHBondContact SG-NE2 3.11Å |
| 359 | N | 67.3 | Low | 65 | Low | 126 Ų | 126 | 77.9 Ų | 77.9 | 67% | 0.674 | 40% | 0.401 | S | S | * | . | trans | 55.6 | 7.6 | 175.7 | -73.5 | -50.2 | 0 | 0 | 0 | 116.7 | C355 A361 | C355-N359 WeakPolarHBondContact O-CA 3.2Å; C355-N359 PolarHBondContact O-N 3.48Å; N359-A361 PolarHBondContact O-N 3.2Å | ||
| 360 | K | 70.1 | Confident | 65.7 | Low | 131 Ų | 131 | 78.9 Ų | 78.9 | 57% | 0.57 | 39% | 0.391 | S | S | * | . | trans | -61.9 | 125.4 | 173.4 | -72 | -173.5 | -179 | -174.6 | 0 | 110.3 | C355 C358 F362 | C355-K360 HydrophobicContact CB-CB 4.4Å; C355-K360 VanDerWaalsContact CB-O 3.24Å; C355-K360 WeakPolarHBondContact CB-O 3.33Å; C355-K360 PolarHBondContact N-O 3.01Å; C358-K360 PolarHBondContact O-N 3.25Å; K360-F362 HydrophobicContact CB-CE2 3.93Å; K360-F362 HydrophobicContact CB-CZ 4.07Å; K360-F362 WeakPolarHBondContact O-CD2 3.41Å; K360-F362 VanDerWaalsContact O-CE2 3.26Å; K360-F362 WeakPolarHBondContact O-CE2 3.48Å | ||
| 361 | A | 66.4 | Low | 66.9 | Low | 29 Ų | 29 | 74.8 Ų | 74.8 | 24% | 0.24 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 141.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K351 Y353 K354 N359 | K351-A361 HydrophobicContact CB-CB 3.41Å; K351-A361 VanDerWaalsContact CB-CB 3.41Å; K351-A361 HydrophobicContact CD-CB 4.11Å; K351-A361 WeakPolarHBondContact CD-O 3.26Å; K351-A361 HydrophobicContact CG-CB 4.33Å; Y353-A361 CarbonylContact O-C 3.6Å; Y353-A361 WeakPolarHBondContact O-CA 3.45Å; K354-A361 HydrophobicContact CG-CB 3.95Å; N359-A361 PolarHBondContact O-N 3.2Å |
| 362 | F | 68.4 | Low | 67.2 | Low | 47 Ų | 47 | 71.7 Ų | 71.7 | 21% | 0.206 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 149 | -177.7 | -58.7 | -88 | 0 | 0 | 0 | 110.5 | K351 Q352 Y353 K360 Q364 N367 L368 H371 | K351-F362 CarbonylContact C-O 3.21Å; Q352-F362 PolarHBondContact N-O 3.16Å; Y353-F362 PolarHBondContact N-O 3.37Å; Y353-F362 PolarHBondContact O-N 3.45Å; K360-F362 HydrophobicContact CB-CE2 3.93Å; K360-F362 HydrophobicContact CB-CZ 4.07Å; K360-F362 WeakPolarHBondContact O-CD2 3.41Å; K360-F362 VanDerWaalsContact O-CE2 3.26Å; K360-F362 WeakPolarHBondContact O-CE2 3.48Å; F362-Q364 PolarHBondContact O-N 3.37Å; F362-N367 HydrophobicContact CB-CB 4.17Å; F362-N367 HydrophobicContact CD1-CB 3.92Å; F362-N367 HydrophobicContact CG-CB 4.26Å; F362-L368 HydrophobicContact CD2-CB 4.07Å; F362-L368 HydrophobicContact CD2-CD1 4.07Å; F362-L368 HydrophobicContact CE2-CD1 4.25Å; F362-L368 HydrophobicContact CG-CB 4.5Å; F362-H371 HydrophobicContact CE1-CB 4.16Å; F362-H371 HydrophobicContact CE2-CB 3.77Å; F362-H371 AromaticContact CE2-CD2 3.35Å; F362-H371 WeakPolarHBondContact CE2-CD2 3.27Å; F362-H371 AromaticContact CE2-CG 3.6Å; F362-H371 HydrophobicContact CZ-CB 3.48Å; F362-H371 VanDerWaalsContact CZ-CB 3.48Å; F362-H371 AromaticContact CZ-CD2 3.54Å; F362-H371 AromaticContact CZ-CG 3.33Å; F362-H371 AromaticContact CZ-ND1 3.96Å |
| 363 | H | 53.4 | Low | 67.6 | Low | 48 Ų | 48 | 68.8 Ų | 68.8 | 22% | 0.222 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -78.2 | -5.9 | 175 | -55.1 | -81.5 | 0 | 0 | 0 | 113.3 | L345 G349 E350 K351 | L345-H363 HydrophobicContact CB-CB 4.46Å; G349-H363 PolarHBondContact O-CE1 2.67Å; E350-H363 PolarHBondContact O-ND1 3.2Å; K351-H363 WeakPolarHBondContact CE-NE2 3.44Å; K351-H363 WeakPolarHBondContact CG-CE1 3.41Å; K351-H363 WeakPolarHBondContact CG-NE2 3.26Å |
| 364 | Q | 65 | Low | 67.7 | Low | 32 Ų | 32 | 69 Ų | 69 | 15% | 0.15 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -145.4 | 136.6 | -169.2 | -71.5 | -73.3 | 8.3 | 0 | 0 | 111.3 | N342 Y353 F362 Y366 N367 L368 | N342-Q364 PolarHBondContact ND2-NE2 3.14Å; N342-Q364 PolarHBondContact ND2-OE1 3.39Å; Y353-Q364 VanDerWaalsContact CD2-C 3.49Å; F362-Q364 PolarHBondContact O-N 3.37Å; Q364-Y366 HydrophobicContact CB-CD1 3.85Å; Q364-Y366 HydrophobicContact CB-CE1 3.5Å; Q364-Y366 HydrophobicContact CB-CE2 4.47Å; Q364-Y366 HydrophobicContact CB-CG 4.47Å; Q364-Y366 HydrophobicContact CG-CD1 4.38Å; Q364-Y366 HydrophobicContact CG-CE1 3.56Å; Q364-Y366 PolarHBondContact O-N 3.11Å; Q364-N367 HydrophobicContact CB-CB 4.21Å; Q364-N367 PolarHBondContact O-N 2.92Å; Q364-L368 PolarHBondContact O-N 3.3Å |
| 365 | I | 65.1 | Low | 67.7 | Low | 99 Ų | 99 | 65 Ų | 65 | 51% | 0.508 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.1 | -38.5 | -178.5 | -162.4 | 167.8 | 0 | 0 | 0 | 112.4 | Y353 N367 L368 T369 | Y353-I365 HydrophobicContact CD1-CB 3.95Å; Y353-I365 HydrophobicContact CD1-CD1 4.39Å; Y353-I365 HydrophobicContact CD1-CG1 4.03Å; Y353-I365 HydrophobicContact CD2-CB 4.49Å; Y353-I365 HydrophobicContact CE1-CB 3.79Å; Y353-I365 HydrophobicContact CE1-CD1 4.03Å; Y353-I365 HydrophobicContact CE1-CG1 4.04Å; Y353-I365 HydrophobicContact CE2-CB 4.33Å; Y353-I365 HydrophobicContact CG-CB 4.29Å; I365-N367 VanDerWaalsContact C-N 3.3Å; I365-N367 PolarHBondContact O-N 2.94Å; I365-L368 WeakPolarHBondContact O-CB 3.49Å; I365-L368 PolarHBondContact O-N 3.13Å; I365-L368 VanDerWaalsContact O-N 3.14Å; I365-T369 PolarHBondContact O-N 3.07Å; I365-T369 PolarHBondContact O-OG1 3.18Å; I365-T369 VanDerWaalsContact O-OG1 3.06Å |
| 366 | Y | 64.4 | Low | 67.3 | Low | 119 Ų | 119 | 69.2 Ų | 69.2 | 47% | 0.467 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65 | -33.4 | 177.7 | 66.5 | -96.5 | 0 | 0 | 0 | 112.6 | Q364 T369 F370 | Q364-Y366 HydrophobicContact CB-CD1 3.85Å; Q364-Y366 HydrophobicContact CB-CE1 3.5Å; Q364-Y366 HydrophobicContact CB-CE2 4.47Å; Q364-Y366 HydrophobicContact CB-CG 4.47Å; Q364-Y366 HydrophobicContact CG-CD1 4.38Å; Q364-Y366 HydrophobicContact CG-CE1 3.56Å; Q364-Y366 PolarHBondContact O-N 3.11Å; Y366-T369 PolarHBondContact O-N 3.37Å; Y366-F370 HydrophobicContact CD2-CD2 4.35Å; Y366-F370 HydrophobicContact CD2-CE2 4.29Å; Y366-F370 WeakPolarHBondContact O-CD2 3.48Å; Y366-F370 PolarHBondContact O-N 2.91Å |
| 367 | N | 69.8 | Low | 66.9 | Low | 61 Ų | 61 | 70.2 Ų | 70.2 | 33% | 0.326 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -68.3 | -38.4 | 174.5 | -76.7 | -29.6 | 0 | 0 | 0 | 111.2 | F362 Q364 I365 H371 | F362-N367 HydrophobicContact CB-CB 4.17Å; F362-N367 HydrophobicContact CD1-CB 3.92Å; F362-N367 HydrophobicContact CG-CB 4.26Å; Q364-N367 HydrophobicContact CB-CB 4.21Å; Q364-N367 PolarHBondContact O-N 2.92Å; I365-N367 VanDerWaalsContact C-N 3.3Å; I365-N367 PolarHBondContact O-N 2.94Å; N367-H371 WeakPolarHBondContact O-CB 3.49Å; N367-H371 PolarHBondContact O-N 3.2Å |
| 368 | L | 67.5 | Low | 66.3 | Low | 27 Ų | 27 | 72.2 Ų | 72.2 | 14% | 0.141 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 170.3 | 173.6 | 60.5 | 0 | 0 | 0 | 110.9 | C355 F362 Q364 I365 F370 H371 M372 | C355-L368 HydrophobicContact CB-CD1 3.94Å; F362-L368 HydrophobicContact CD2-CB 4.07Å; F362-L368 HydrophobicContact CD2-CD1 4.07Å; F362-L368 HydrophobicContact CE2-CD1 4.25Å; F362-L368 HydrophobicContact CG-CB 4.5Å; Q364-L368 PolarHBondContact O-N 3.3Å; I365-L368 WeakPolarHBondContact O-CB 3.49Å; I365-L368 PolarHBondContact O-N 3.13Å; I365-L368 VanDerWaalsContact O-N 3.14Å; L368-F370 PolarHBondContact O-N 3.28Å; L368-H371 CarbonylContact O-C 3.57Å; L368-H371 WeakPolarHBondContact O-CB 3.3Å; L368-H371 PolarHBondContact O-N 2.98Å; L368-H371 VanDerWaalsContact O-N 3.1Å; L368-M372 HydrophobicContact CD1-CG 4.07Å; L368-M372 HydrophobicContact CD1-SD 4.36Å; L368-M372 HydrophobicContact CG-CG 4.38Å; L368-M372 VanDerWaalsContact O-CG 3.23Å; L368-M372 WeakPolarHBondContact O-CG 3.48Å; L368-M372 PolarHBondContact O-N 3.44Å |
| 369 | T | 69.7 | Low | 65.9 | Low | 72 Ų | 72 | 74.7 Ų | 74.7 | 44% | 0.442 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.1 | -47.9 | 176.4 | -52.5 | 0 | 0 | 0 | 0 | 111.7 | I365 Y366 H371 M372 H373 | I365-T369 PolarHBondContact O-N 3.07Å; I365-T369 PolarHBondContact O-OG1 3.18Å; I365-T369 VanDerWaalsContact O-OG1 3.06Å; Y366-T369 PolarHBondContact O-N 3.37Å; T369-H371 VanDerWaalsContact C-N 3.32Å; T369-H371 PolarHBondContact O-N 3.18Å; T369-M372 PolarHBondContact O-N 3.27Å; T369-H373 PolarHBondContact O-CE1 3.24Å; T369-H373 PolarHBondContact O-ND1 2.96Å |
| 370 | F | 66 | Low | 66 | Low | 71 Ų | 71 | 72.1 Ų | 72.1 | 31% | 0.311 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65 | -34.2 | 175.3 | -70.9 | -56.2 | 0 | 0 | 0 | 113.1 | Y366 L368 M372 H373 F381 C391 R392 | Y366-F370 HydrophobicContact CD2-CD2 4.35Å; Y366-F370 HydrophobicContact CD2-CE2 4.29Å; Y366-F370 WeakPolarHBondContact O-CD2 3.48Å; Y366-F370 PolarHBondContact O-N 2.91Å; L368-F370 PolarHBondContact O-N 3.28Å; F370-M372 VanDerWaalsContact C-N 3.35Å; F370-H373 WeakPolarHBondContact O-CB 3.34Å; F370-H373 PolarHBondContact O-N 3.36Å; F370-F381 HydrophobicContact CE1-CE2 4.36Å; F370-C391 VanDerWaalsContact CD1-O 3.28Å; F370-C391 WeakPolarHBondContact CD1-O 3.38Å; F370-R392 HydrophobicContact CB-CG 4.22Å; F370-R392 HydrophobicContact CD1-CG 3.99Å; F370-R392 HydrophobicContact CG-CG 4.03Å |
| 371 | H | 72.8 | Confident | 66.1 | Low | 23 Ų | 23 | 68.7 Ų | 68.7 | 11% | 0.106 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.2 | -33.6 | 173.3 | 176.4 | 54.8 | 0 | 0 | 0 | 112.7 | C355 C358 F362 N367 L368 T369 H373 T374 H375 | C355-H371 VanDerWaalsContact SG-CD2 3.55Å; C355-H371 PolarHBondContact SG-NE2 3.11Å; C358-H371 PolarHBondContact SG-NE2 3.01Å; F362-H371 HydrophobicContact CE1-CB 4.16Å; F362-H371 HydrophobicContact CE2-CB 3.77Å; F362-H371 AromaticContact CE2-CD2 3.35Å; F362-H371 WeakPolarHBondContact CE2-CD2 3.27Å; F362-H371 AromaticContact CE2-CG 3.6Å; F362-H371 HydrophobicContact CZ-CB 3.48Å; F362-H371 VanDerWaalsContact CZ-CB 3.48Å; F362-H371 AromaticContact CZ-CD2 3.54Å; F362-H371 AromaticContact CZ-CG 3.33Å; F362-H371 AromaticContact CZ-ND1 3.96Å; N367-H371 WeakPolarHBondContact O-CB 3.49Å; N367-H371 PolarHBondContact O-N 3.2Å; L368-H371 CarbonylContact O-C 3.57Å; L368-H371 WeakPolarHBondContact O-CB 3.3Å; L368-H371 PolarHBondContact O-N 2.98Å; L368-H371 VanDerWaalsContact O-N 3.1Å; T369-H371 VanDerWaalsContact C-N 3.32Å; T369-H371 PolarHBondContact O-N 3.18Å; H371-H373 PolarHBondContact O-N 3.45Å; H371-T374 PolarHBondContact ND1-OG1 3.32Å; H371-T374 PolarHBondContact O-N 3.48Å; H371-T374 PolarHBondContact O-OG1 3Å; H371-H375 AromaticContact CD2-NE2 3.94Å; H371-H375 AromaticContact CE1-CD2 3.91Å; H371-H375 AromaticContact CE1-NE2 3.21Å; H371-H375 PolarHBondContact CE1-NE2 3.44Å; H371-H375 AromaticContact NE2-CD2 3.76Å; H371-H375 AromaticContact NE2-NE2 3.03Å; H371-H375 PolarHBondContact NE2-NE2 3.07Å |
| 372 | M | 63.8 | Low | 66.4 | Low | 42 Ų | 42 | 71.7 Ų | 71.7 | 21% | 0.207 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.2 | -23.9 | 176.8 | -63.1 | -90.1 | 62.4 | 0 | 0 | 112.7 | C355 I357 L368 T369 F370 T374 H375 N376 | C355-M372 WeakPolarHBondContact SG-CE 3.44Å; I357-M372 HydrophobicContact CB-CE 4.39Å; I357-M372 HydrophobicContact CD1-CE 3.76Å; I357-M372 HydrophobicContact CG1-CE 4.05Å; L368-M372 HydrophobicContact CD1-CG 4.07Å; L368-M372 HydrophobicContact CD1-SD 4.36Å; L368-M372 HydrophobicContact CG-CG 4.38Å; L368-M372 VanDerWaalsContact O-CG 3.23Å; L368-M372 WeakPolarHBondContact O-CG 3.48Å; L368-M372 PolarHBondContact O-N 3.44Å; T369-M372 PolarHBondContact O-N 3.27Å; F370-M372 VanDerWaalsContact C-N 3.35Å; M372-T374 PolarHBondContact O-N 3.07Å; M372-H375 HydrophobicContact CE-CB 4.5Å; M372-H375 PolarHBondContact O-N 3.34Å; M372-N376 PolarHBondContact O-N 3.42Å; M372-N376 PolarHBondContact O-ND2 3.11Å |
| 373 | H | 70.3 | Confident | 66.9 | Low | 48 Ų | 48 | 69.5 Ų | 69.5 | 22% | 0.222 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -16.5 | 171.2 | -66.3 | 84.3 | 0 | 0 | 0 | 113.4 | T369 F370 H371 H375 K378 C391 | T369-H373 PolarHBondContact O-CE1 3.24Å; T369-H373 PolarHBondContact O-ND1 2.96Å; F370-H373 WeakPolarHBondContact O-CB 3.34Å; F370-H373 PolarHBondContact O-N 3.36Å; H371-H373 PolarHBondContact O-N 3.45Å; H373-H375 VanDerWaalsContact C-N 3.34Å; H373-K378 WeakPolarHBondContact CB-O 3.42Å; H373-K378 PolarHBondContact CD2-O 3.23Å; H373-K378 VanDerWaalsContact CD2-O 3.29Å; H373-C391 HydrophobicContact CB-CB 4.05Å |
| 374 | T | 65.9 | Low | 67.9 | Low | 76 Ų | 76 | 72.4 Ų | 72.4 | 47% | 0.466 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -6.8 | 174.4 | 75.3 | 0 | 0 | 0 | 0 | 113.7 | H371 M372 | H371-T374 PolarHBondContact ND1-OG1 3.32Å; H371-T374 PolarHBondContact O-N 3.48Å; H371-T374 PolarHBondContact O-OG1 3Å; M372-T374 PolarHBondContact O-N 3.07Å |
| 375 | H | 67.4 | Low | 68.2 | Low | 60 Ų | 60 | 75.7 Ų | 75.7 | 28% | 0.278 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -22.5 | 176.3 | -66.9 | -77.3 | 0 | 0 | 0 | 113.1 | I357 C358 H371 M372 H373 | I357-H375 HydrophobicContact CD1-CB 3.57Å; I357-H375 HydrophobicContact CG2-CB 4.48Å; I357-H375 WeakPolarHBondContact CG2-ND1 3.5Å; C358-H375 PolarHBondContact SG-CE1 2.8Å; C358-H375 PolarHBondContact SG-NE2 3.11Å; H371-H375 AromaticContact CD2-NE2 3.94Å; H371-H375 AromaticContact CE1-CD2 3.91Å; H371-H375 AromaticContact CE1-NE2 3.21Å; H371-H375 PolarHBondContact CE1-NE2 3.44Å; H371-H375 AromaticContact NE2-CD2 3.76Å; H371-H375 AromaticContact NE2-NE2 3.03Å; H371-H375 PolarHBondContact NE2-NE2 3.07Å; M372-H375 HydrophobicContact CE-CB 4.5Å; M372-H375 PolarHBondContact O-N 3.34Å; H373-H375 VanDerWaalsContact C-N 3.34Å |
| 376 | N | 62.8 | Low | 68.8 | Low | 90 Ų | 90 | 73.4 Ų | 73.4 | 48% | 0.481 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -100.7 | 1.7 | -177.2 | -72.1 | -93.5 | 0 | 0 | 0 | 112.5 | M372 K378 | M372-N376 PolarHBondContact O-N 3.42Å; M372-N376 PolarHBondContact O-ND2 3.11Å; N376-K378 HydrophobicContact CB-CB 4.45Å; N376-K378 HydrophobicContact CB-CD 4.27Å; N376-K378 HydrophobicContact CB-CG 4.29Å; N376-K378 PolarHBondContact O-N 3.29Å |
| 377 | D | 61.8 | Low | 69.2 | Low | 123 Ų | 123 | 70.4 Ų | 70.4 | 66% | 0.658 | 40% | 0.402 | S | S | * | . | trans | 49.2 | 1.2 | -168.8 | -77.4 | -58.7 | 0 | 0 | 0 | 117.5 | K379 | D377-K379 PolarHBondContact O-N 3.45Š| ||
| 378 | K | 58.8 | Low | 69.5 | Low | 142 Ų | 142 | 73.6 Ų | 73.6 | 62% | 0.617 | 41% | 0.413 | S | S | * | . | trans | -62.1 | 104.2 | 174.1 | -71.7 | 174.9 | -174.7 | 178.6 | 0 | 109.2 | H373 N376 P380 | H373-K378 WeakPolarHBondContact CB-O 3.42Å; H373-K378 PolarHBondContact CD2-O 3.23Å; H373-K378 VanDerWaalsContact CD2-O 3.29Å; N376-K378 HydrophobicContact CB-CB 4.45Å; N376-K378 HydrophobicContact CB-CD 4.27Å; N376-K378 HydrophobicContact CB-CG 4.29Å; N376-K378 PolarHBondContact O-N 3.29Å; K378-P380 VanDerWaalsContact C-CD 3.48Å; K378-P380 WeakPolarHBondContact O-CD 3.29Å | ||
| 379 | K | 67.2 | Low | 69.7 | Low | 102 Ų | 102 | 73.4 Ų | 73.4 | 44% | 0.443 | 42% | 0.418 | S | S | . | . | trans | -101.9 | 83 | 174 | -77.7 | 154.5 | 171.9 | 167 | 0 | 109.3 | D377 F381 G389 F390 | D377-K379 PolarHBondContact O-N 3.45Å; K379-F381 PolarHBondContact O-N 3.12Å; K379-F381 VanDerWaalsContact O-N 3.09Å; K379-G389 WeakPolarHBondContact CD-O 3.44Å; K379-F390 CarbonylContact C-O 3.55Å | ||
| 380 | P | 69.1 | Low | 69.9 | Low | 73 Ų | 73 | 72 Ų | 72 | 47% | 0.474 | 41% | 0.406 | S | S | . | . | trans | -67.7 | -9 | -172.8 | 27.7 | -37.2 | 0 | 0 | 0 | 114.4 | K378 | K378-P380 VanDerWaalsContact C-CD 3.48Å; K378-P380 WeakPolarHBondContact O-CD 3.29Å | ||
| 381 | F | 72.3 | Confident | 69.9 | Low | 59 Ų | 59 | 69.9 Ų | 69.9 | 26% | 0.259 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 90.8 | 179.3 | -56.6 | -69.5 | 0 | 0 | 0 | 110.1 | F370 K379 F390 N393 L396 | F370-F381 HydrophobicContact CE1-CE2 4.36Å; K379-F381 PolarHBondContact O-N 3.12Å; K379-F381 VanDerWaalsContact O-N 3.09Å; F381-F390 HydrophobicContact CB-CB 4.44Å; F381-F390 PolarHBondContact N-O 3.42Å; F381-F390 PolarHBondContact O-N 3.38Å; F381-N393 HydrophobicContact CD1-CB 4.06Å; F381-N393 HydrophobicContact CD2-CB 4.37Å; F381-N393 HydrophobicContact CE1-CB 3.94Å; F381-N393 HydrophobicContact CE2-CB 4.26Å; F381-N393 HydrophobicContact CG-CB 4.27Å; F381-N393 HydrophobicContact CZ-CB 4.05Å; F381-L396 HydrophobicContact CB-CB 4.29Å; F381-L396 HydrophobicContact CB-CD2 3.86Å |
| 382 | T | 72.2 | Confident | 69.6 | Low | 91 Ų | 91 | 74.5 Ų | 74.5 | 56% | 0.558 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | 145.2 | 173.4 | 47.4 | 0 | 0 | 0 | 0 | 111.5 | ||
| 383 | C | 78.8 | Confident | 69.9 | Low | 2 Ų | 2 | 75.7 Ų | 75.7 | 1% | 0.014 | 42% | 0.423 | C | S | . | . | trans | -82.4 | 119.3 | 168.1 | -177 | 0 | 0 | 0 | 0 | 109.6 | T385 C386 G387 K388 F390 L396 H404 | C383-T385 PolarHBondContact O-N 3.12Å; C383-C386 PolarHBondContact O-N 3.5Å; C383-C386 VanDerWaalsContact SG-SG 3.68Å; C383-G387 WeakPolarHBondContact O-CA 3.48Å; C383-G387 PolarHBondContact O-N 3.03Å; C383-K388 PolarHBondContact N-O 3.45Å; C383-F390 HydrophobicContact CB-CE2 4.4Å; C383-L396 HydrophobicContact CB-CD1 3.57Å; C383-H404 VanDerWaalsContact SG-CD2 3.54Å; C383-H404 PolarHBondContact SG-NE2 3.27Å | ||
| 384 | A | 74.3 | Confident | 70.1 | Confident | 109 Ų | 109 | 79.7 Ų | 79.7 | 90% | 0.901 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -35.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 385 | T | 72.9 | Confident | 70.5 | Confident | 100 Ų | 100 | 78 Ų | 78 | 61% | 0.613 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -22.4 | -175.6 | -36.7 | 0 | 0 | 0 | 0 | 114.2 | C383 | C383-T385 PolarHBondContact O-N 3.12Š|
| 386 | C | 77.6 | Confident | 70.9 | Confident | 51 Ų | 51 | 76 Ų | 76 | 35% | 0.345 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.3 | 7.9 | -174.7 | 75.9 | 0 | 0 | 0 | 0 | 115.5 | C383 K388 H399 | C383-C386 PolarHBondContact O-N 3.5Å; C383-C386 VanDerWaalsContact SG-SG 3.68Å; C386-K388 PolarHBondContact O-N 3.31Å; C386-H399 PolarHBondContact SG-NE2 3.29Å |
| 387 | G | 72.1 | Confident | 71.6 | Confident | 57 Ų | 57 | 77.7 Ų | 77.7 | 59% | 0.588 | 42% | 0.423 | S | S | * | . | trans | 68 | -11.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | C383 G389 | C383-G387 WeakPolarHBondContact O-CA 3.48Å; C383-G387 PolarHBondContact O-N 3.03Å; G387-G389 PolarHBondContact O-N 3.33Å | ||
| 388 | K | 75.3 | Confident | 72.3 | Confident | 127 Ų | 127 | 76.7 Ų | 76.7 | 55% | 0.552 | 41% | 0.412 | S | S | * | . | trans | -64.3 | 123 | -174.3 | -68.7 | -179.3 | -179.3 | 177.4 | 0 | 111.4 | C383 C386 F390 | C383-K388 PolarHBondContact N-O 3.45Å; C386-K388 PolarHBondContact O-N 3.31Å; K388-F390 HydrophobicContact CB-CE2 3.91Å; K388-F390 HydrophobicContact CB-CZ 4.11Å; K388-F390 VanDerWaalsContact O-CD2 3.31Å; K388-F390 WeakPolarHBondContact O-CD2 3.3Å; K388-F390 WeakPolarHBondContact O-CE2 3.29Å | ||
| 389 | G | 73.2 | Confident | 73.3 | Confident | 23 Ų | 23 | 71 Ų | 71 | 24% | 0.237 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 137.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K379 G387 | K379-G389 WeakPolarHBondContact CD-O 3.44Å; G387-G389 PolarHBondContact O-N 3.33Å |
| 390 | F | 73.9 | Confident | 73.8 | Confident | 42 Ų | 42 | 68.6 Ų | 68.6 | 18% | 0.184 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 148.1 | 178.9 | -60 | -89.3 | 0 | 0 | 0 | 111.5 | K379 F381 C383 K388 D395 L396 H399 | K379-F390 CarbonylContact C-O 3.55Å; F381-F390 HydrophobicContact CB-CB 4.44Å; F381-F390 PolarHBondContact N-O 3.42Å; F381-F390 PolarHBondContact O-N 3.38Å; C383-F390 HydrophobicContact CB-CE2 4.4Å; K388-F390 HydrophobicContact CB-CE2 3.91Å; K388-F390 HydrophobicContact CB-CZ 4.11Å; K388-F390 VanDerWaalsContact O-CD2 3.31Å; K388-F390 WeakPolarHBondContact O-CD2 3.3Å; K388-F390 WeakPolarHBondContact O-CE2 3.29Å; F390-D395 HydrophobicContact CB-CB 4.49Å; F390-D395 HydrophobicContact CD1-CB 3.98Å; F390-L396 HydrophobicContact CB-CB 4.34Å; F390-L396 HydrophobicContact CD2-CB 3.99Å; F390-L396 HydrophobicContact CD2-CD1 3.78Å; F390-L396 HydrophobicContact CD2-CG 4.48Å; F390-L396 HydrophobicContact CE2-CD1 3.95Å; F390-L396 HydrophobicContact CG-CB 4.28Å; F390-H399 HydrophobicContact CE1-CB 4.07Å; F390-H399 HydrophobicContact CE2-CB 4.04Å; F390-H399 AromaticContact CE2-CD2 3.78Å; F390-H399 AromaticContact CE2-CG 3.75Å; F390-H399 HydrophobicContact CZ-CB 3.56Å; F390-H399 AromaticContact CZ-CD2 3.82Å; F390-H399 AromaticContact CZ-CG 3.34Å; F390-H399 AromaticContact CZ-ND1 3.55Å |
| 391 | C | 64.9 | Low | 74.2 | Confident | 27 Ų | 27 | 71.8 Ų | 71.8 | 18% | 0.182 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -82.9 | -13 | 177.2 | -50.8 | 0 | 0 | 0 | 0 | 113.1 | F370 H373 | F370-C391 VanDerWaalsContact CD1-O 3.28Å; F370-C391 WeakPolarHBondContact CD1-O 3.38Å; H373-C391 HydrophobicContact CB-CB 4.05Å |
| 392 | R | 66.9 | Low | 74.3 | Confident | 121 Ų | 121 | 75.9 Ų | 75.9 | 46% | 0.457 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -137 | 136.8 | -179.3 | -57.8 | -179.1 | -61.9 | -171.5 | 3.6 | 111.3 | F370 F394 D395 L396 | F370-R392 HydrophobicContact CB-CG 4.22Å; F370-R392 HydrophobicContact CD1-CG 3.99Å; F370-R392 HydrophobicContact CG-CG 4.03Å; R392-F394 VanDerWaalsContact C-N 3.28Å; R392-F394 PolarHBondContact O-N 3.33Å; R392-D395 IonicContact CZ-OD1 2.67Å; R392-D395 IonicContact CZ-OD2 3.78Å; R392-D395 IonicContact NE-OD1 3.64Å; R392-D395 IonicContact NE-OD2 3.88Å; R392-D395 PolarHBondContact NE-OD2 3.33Å; R392-D395 VanDerWaalsContact NH2-CG 3.27Å; R392-D395 IonicContact NH2-OD1 3.91Å; R392-D395 PolarHBondContact NH2-OD1 3.03Å; R392-D395 IonicContact NH2-OD2 2.96Å; R392-D395 PolarHBondContact NH2-OD2 3.15Å; R392-D395 PolarHBondContact O-N 3.41Å; R392-D395 VanDerWaalsContact O-N 3.12Å; R392-L396 PolarHBondContact O-N 3.5Å |
| 393 | N | 71 | Confident | 74.3 | Confident | 67 Ų | 67 | 76.8 Ų | 76.8 | 36% | 0.358 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.5 | -34.7 | 178.3 | -168.9 | -79.6 | 0 | 0 | 0 | 112.9 | F381 D395 L396 K397 | F381-N393 HydrophobicContact CD1-CB 4.06Å; F381-N393 HydrophobicContact CD2-CB 4.37Å; F381-N393 HydrophobicContact CE1-CB 3.94Å; F381-N393 HydrophobicContact CE2-CB 4.26Å; F381-N393 HydrophobicContact CG-CB 4.27Å; F381-N393 HydrophobicContact CZ-CB 4.05Å; N393-D395 VanDerWaalsContact C-N 3.33Å; N393-D395 PolarHBondContact O-N 3.19Å; N393-L396 PolarHBondContact O-N 2.96Å; N393-K397 PolarHBondContact O-N 3.33Å; N393-K397 VanDerWaalsContact OD1-CE 3.24Å; N393-K397 WeakPolarHBondContact OD1-CE 3.44Å |
| 394 | F | 74.6 | Confident | 74 | Confident | 131 Ų | 131 | 78.7 Ų | 78.7 | 58% | 0.575 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -61.3 | -39.2 | 175.4 | 178.8 | -93.6 | 0 | 0 | 0 | 112.7 | R392 K397 K398 | R392-F394 VanDerWaalsContact C-N 3.28Å; R392-F394 PolarHBondContact O-N 3.33Å; F394-K397 PolarHBondContact O-N 2.77Å; F394-K398 HydrophobicContact CE1-CD 4.35Å; F394-K398 WeakPolarHBondContact O-CB 3.38Å; F394-K398 PolarHBondContact O-N 3.41Å |
| 395 | D | 74.4 | Confident | 73.4 | Confident | 40 Ų | 40 | 79.1 Ų | 79.1 | 21% | 0.214 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -69.8 | -39.4 | 178.3 | -62.4 | -36.8 | 0 | 0 | 0 | 110.7 | F390 R392 N393 K398 H399 | F390-D395 HydrophobicContact CB-CB 4.49Å; F390-D395 HydrophobicContact CD1-CB 3.98Å; R392-D395 IonicContact CZ-OD1 2.67Å; R392-D395 IonicContact CZ-OD2 3.78Å; R392-D395 IonicContact NE-OD1 3.64Å; R392-D395 IonicContact NE-OD2 3.88Å; R392-D395 PolarHBondContact NE-OD2 3.33Å; R392-D395 VanDerWaalsContact NH2-CG 3.27Å; R392-D395 IonicContact NH2-OD1 3.91Å; R392-D395 PolarHBondContact NH2-OD1 3.03Å; R392-D395 IonicContact NH2-OD2 2.96Å; R392-D395 PolarHBondContact NH2-OD2 3.15Å; R392-D395 PolarHBondContact O-N 3.41Å; R392-D395 VanDerWaalsContact O-N 3.12Å; N393-D395 VanDerWaalsContact C-N 3.33Å; N393-D395 PolarHBondContact O-N 3.19Å; D395-K398 PolarHBondContact O-N 3.46Å; D395-H399 VanDerWaalsContact O-CB 3.3Å; D395-H399 WeakPolarHBondContact O-CB 3.49Å; D395-H399 PolarHBondContact O-N 3.31Å |
| 396 | L | 75.7 | Confident | 72.6 | Confident | 19 Ų | 19 | 79.2 Ų | 79.2 | 10% | 0.099 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.5 | -48.3 | 171 | 175.4 | 61.5 | 0 | 0 | 0 | 111.6 | F381 C383 F390 R392 N393 K398 H399 I400 | F381-L396 HydrophobicContact CB-CB 4.29Å; F381-L396 HydrophobicContact CB-CD2 3.86Å; C383-L396 HydrophobicContact CB-CD1 3.57Å; F390-L396 HydrophobicContact CB-CB 4.34Å; F390-L396 HydrophobicContact CD2-CB 3.99Å; F390-L396 HydrophobicContact CD2-CD1 3.78Å; F390-L396 HydrophobicContact CD2-CG 4.48Å; F390-L396 HydrophobicContact CE2-CD1 3.95Å; F390-L396 HydrophobicContact CG-CB 4.28Å; R392-L396 PolarHBondContact O-N 3.5Å; N393-L396 PolarHBondContact O-N 2.96Å; L396-K398 PolarHBondContact O-N 3.2Å; L396-H399 WeakPolarHBondContact O-CB 3.49Å; L396-H399 PolarHBondContact O-N 3.48Å; L396-H399 VanDerWaalsContact O-N 3.14Å; L396-I400 HydrophobicContact CD1-CD1 3.81Å; L396-I400 HydrophobicContact CD1-CG1 4.05Å; L396-I400 HydrophobicContact CG-CD1 3.89Å; L396-I400 WeakPolarHBondContact O-CG1 3.47Å; L396-I400 PolarHBondContact O-N 3.3Å |
| 397 | K | 76.4 | Confident | 71.2 | Confident | 126 Ų | 126 | 79.9 Ų | 79.9 | 55% | 0.548 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.1 | -23.3 | 176.2 | -73.2 | -172.1 | 176.1 | -171.8 | 0 | 113.8 | N393 F394 R401 | N393-K397 PolarHBondContact O-N 3.33Å; N393-K397 VanDerWaalsContact OD1-CE 3.24Å; N393-K397 WeakPolarHBondContact OD1-CE 3.44Å; F394-K397 PolarHBondContact O-N 2.77Å; K397-R401 WeakPolarHBondContact O-CB 3.29Å; K397-R401 WeakPolarHBondContact O-CG 3.39Å; K397-R401 PolarHBondContact O-N 3.27Å; K397-R401 PolarHBondContact O-NE 3.31Å |
| 398 | K | 76.9 | Confident | 69.6 | Low | 102 Ų | 102 | 85.4 Ų | 85.4 | 44% | 0.443 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -81.3 | -34.3 | 172.2 | -176.3 | -179.7 | 177.6 | -175.9 | 0 | 111.2 | F394 D395 L396 K402 | F394-K398 HydrophobicContact CE1-CD 4.35Å; F394-K398 WeakPolarHBondContact O-CB 3.38Å; F394-K398 PolarHBondContact O-N 3.41Å; D395-K398 PolarHBondContact O-N 3.46Å; L396-K398 PolarHBondContact O-N 3.2Å; K398-K402 HydrophobicContact CG-CD 4.24Å; K398-K402 VanDerWaalsContact O-CB 3.31Å; K398-K402 WeakPolarHBondContact O-CB 3.31Å; K398-K402 WeakPolarHBondContact O-CG 3.35Å; K398-K402 PolarHBondContact O-N 2.89Å |
| 399 | H | 79.5 | Confident | 68 | Low | 21 Ų | 21 | 85.5 Ų | 85.5 | 10% | 0.097 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -65.3 | -51.8 | 174.2 | 169.8 | 79 | 0 | 0 | 0 | 111.2 | C386 F390 D395 L396 K402 L403 H404 | C386-H399 PolarHBondContact SG-NE2 3.29Å; F390-H399 HydrophobicContact CE1-CB 4.07Å; F390-H399 HydrophobicContact CE2-CB 4.04Å; F390-H399 AromaticContact CE2-CD2 3.78Å; F390-H399 AromaticContact CE2-CG 3.75Å; F390-H399 HydrophobicContact CZ-CB 3.56Å; F390-H399 AromaticContact CZ-CD2 3.82Å; F390-H399 AromaticContact CZ-CG 3.34Å; F390-H399 AromaticContact CZ-ND1 3.55Å; D395-H399 VanDerWaalsContact O-CB 3.3Å; D395-H399 WeakPolarHBondContact O-CB 3.49Å; D395-H399 PolarHBondContact O-N 3.31Å; L396-H399 WeakPolarHBondContact O-CB 3.49Å; L396-H399 PolarHBondContact O-N 3.48Å; L396-H399 VanDerWaalsContact O-N 3.14Å; H399-K402 PolarHBondContact O-N 2.87Å; H399-K402 VanDerWaalsContact O-N 3.16Å; H399-L403 WeakPolarHBondContact ND1-CD1 3.35Å; H399-L403 PolarHBondContact O-N 3.19Å; H399-H404 AromaticContact CD2-NE2 3.88Å; H399-H404 AromaticContact NE2-CD2 3.81Å; H399-H404 AromaticContact NE2-NE2 3.18Å; H399-H404 PolarHBondContact NE2-NE2 3.29Å; H399-H404 VanDerWaalsContact NE2-NE2 3.18Å |
| 400 | I | 76.9 | Confident | 66.5 | Low | 52 Ų | 52 | 87.9 Ų | 87.9 | 27% | 0.267 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -57.5 | -53.1 | 177.5 | -63.6 | 167.1 | 0 | 0 | 0 | 110.4 | L396 K402 L403 H404 E405 | L396-I400 HydrophobicContact CD1-CD1 3.81Å; L396-I400 HydrophobicContact CD1-CG1 4.05Å; L396-I400 HydrophobicContact CG-CD1 3.89Å; L396-I400 WeakPolarHBondContact O-CG1 3.47Å; L396-I400 PolarHBondContact O-N 3.3Å; I400-K402 PolarHBondContact O-N 3.19Å; I400-L403 PolarHBondContact O-N 3.09Å; I400-H404 HydrophobicContact CG2-CB 4.3Å; I400-H404 PolarHBondContact O-N 3.38Å; I400-E405 PolarHBondContact O-N 3.17Å |
| 401 | R | 78.6 | Confident | 64.9 | Low | 141 Ų | 141 | 91.7 Ų | 91.7 | 53% | 0.532 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -56.1 | -25.3 | 176.8 | -81.5 | -175 | -62.5 | 159.9 | 1 | 115.9 | K397 E405 | K397-R401 WeakPolarHBondContact O-CB 3.29Å; K397-R401 WeakPolarHBondContact O-CG 3.39Å; K397-R401 PolarHBondContact O-N 3.27Å; K397-R401 PolarHBondContact O-NE 3.31Å; R401-E405 VanDerWaalsContact CA-OE2 3.24Å; R401-E405 WeakPolarHBondContact CA-OE2 3.46Å; R401-E405 WeakPolarHBondContact CG-OE2 3.44Å; R401-E405 PolarHBondContact N-OE2 3.1Å |
| 402 | K | 74.2 | Confident | 63.5 | Low | 144 Ų | 144 | 96.6 Ų | 96.6 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -100.2 | -20.1 | -176.2 | -81 | -175.9 | 163.6 | -107.3 | 0 | 114.7 | K398 H399 I400 | K398-K402 HydrophobicContact CG-CD 4.24Å; K398-K402 VanDerWaalsContact O-CB 3.31Å; K398-K402 WeakPolarHBondContact O-CB 3.31Å; K398-K402 WeakPolarHBondContact O-CG 3.35Å; K398-K402 PolarHBondContact O-N 2.89Å; H399-K402 PolarHBondContact O-N 2.87Å; H399-K402 VanDerWaalsContact O-N 3.16Å; I400-K402 PolarHBondContact O-N 3.19Å |
| 403 | L | 71.6 | Confident | 62 | Low | 110 Ų | 110 | 100.1 Ų | 100.1 | 58% | 0.576 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -132.2 | -15.5 | -168.8 | -66.7 | 171.7 | 0 | 0 | 0 | 114.2 | H399 I400 | H399-L403 WeakPolarHBondContact ND1-CD1 3.35Å; H399-L403 PolarHBondContact O-N 3.19Å; I400-L403 PolarHBondContact O-N 3.09Å |
| 404 | H | 73.2 | Confident | 60.5 | Low | 42 Ų | 42 | 100.2 Ų | 100.2 | 19% | 0.194 | 55% | 0.547 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | -32 | 179.9 | -57.8 | -51 | 0 | 0 | 0 | 112.8 | C383 H399 I400 | C383-H404 VanDerWaalsContact SG-CD2 3.54Å; C383-H404 PolarHBondContact SG-NE2 3.27Å; H399-H404 AromaticContact CD2-NE2 3.88Å; H399-H404 AromaticContact NE2-CD2 3.81Å; H399-H404 AromaticContact NE2-NE2 3.18Å; H399-H404 PolarHBondContact NE2-NE2 3.29Å; H399-H404 VanDerWaalsContact NE2-NE2 3.18Å; I400-H404 HydrophobicContact CG2-CB 4.3Å; I400-H404 PolarHBondContact O-N 3.38Å |
| 405 | E | 62.3 | Low | 58.4 | Low | 119 Ų | 119 | 101.3 Ų | 101.3 | 56% | 0.556 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -6.1 | 179.9 | -105.2 | 166 | 129.9 | 0 | 0 | 114.1 | I400 R401 G407 | I400-E405 PolarHBondContact O-N 3.17Å; R401-E405 VanDerWaalsContact CA-OE2 3.24Å; R401-E405 WeakPolarHBondContact CA-OE2 3.46Å; R401-E405 WeakPolarHBondContact CG-OE2 3.44Å; R401-E405 PolarHBondContact N-OE2 3.1Å; E405-G407 PolarHBondContact O-N 3.24Å |
| 406 | S | 55.1 | Low | 56.5 | Low | 102 Ų | 102 | 111.1 Ų | 111.1 | 71% | 0.713 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 18.1 | 172.4 | 61.1 | 0 | 0 | 0 | 0 | 113.5 | ||
| 407 | G | 49 | Very low | 54.3 | Low | 64 Ų | 64 | 117.7 Ų | 117.7 | 66% | 0.66 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -151.1 | 6.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | E405 | E405-G407 PolarHBondContact O-N 3.24Š|
| 408 | F | 38.8 | Very low | 52.5 | Low | 174 Ų | 174 | 117.5 Ų | 117.5 | 76% | 0.763 | 63% | 0.634 | S | S | * | * | trans | -120.5 | 70.6 | 179.1 | -98.5 | -88.7 | 0 | 0 | 0 | 111.5 | ||||
| 409 | S | 41.7 | Very low | 50.8 | Low | 129 Ų | 129 | 121.8 Ų | 121.8 | 90% | 0.902 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -125.9 | 45.2 | 162.9 | -177.3 | 0 | 0 | 0 | 0 | 110.3 | ||
| 410 | A | 40.7 | Very low | 48.8 | Very low | 73 Ų | 73 | 130 Ų | 130 | 60% | 0.603 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -158 | 142.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 411 | V | 40 | Very low | 47.4 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 74% | 0.739 | 74% | 0.738 | S | S | * | * | trans | 63.7 | 81.4 | 167.4 | -158.5 | 0 | 0 | 0 | 0 | 117.1 | A414 | V411-A414 HydrophobicContact CG1-CB 4.41Š| ||
| 412 | S | 35.9 | Very low | 45.7 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 90% | 0.902 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -141.1 | 32.8 | 136.4 | 67.8 | 0 | 0 | 0 | 0 | 112.4 | ||
| 413 | E | 36.3 | Very low | 44.1 | Very low | 196 Ų | 196 | 132.9 Ų | 132.9 | 92% | 0.916 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -116.8 | 50.2 | 171.4 | -165.2 | 153.3 | -149.6 | 0 | 0 | 109.5 | ||
| 414 | A | 38 | Very low | 42.5 | Very low | 69 Ų | 69 | 134.2 Ų | 134.2 | 57% | 0.57 | 77% | 0.766 | S | S | * | * | trans | -157.4 | 56.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112 | V411 | V411-A414 HydrophobicContact CG1-CB 4.41Š| ||
| 415 | L | 32.3 | Very low | 40.6 | Very low | 154 Ų | 154 | 140 Ų | 140 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | trans | -148.6 | 72.7 | 149.4 | -140.7 | 80.6 | 0 | 0 | 0 | 110.1 | E417 | L415-E417 PolarHBondContact O-N 3.37Š| ||
| 416 | R | 34.1 | Very low | 39.2 | Very low | 246 Ų | 246 | 141.4 Ų | 141.4 | 93% | 0.928 | 82% | 0.818 | S | S | * | * | trans | -79.2 | 96.9 | 163.2 | -167.8 | -174.2 | -144.1 | 174.4 | 6.4 | 106 | ||||
| 417 | E | 28.6 | Very low | 38 | Very low | 156 Ų | 156 | 144.2 Ų | 144.2 | 73% | 0.729 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 133.9 | 173.9 | -68.7 | -151.6 | 139.9 | 0 | 0 | 109.9 | L415 | L415-E417 PolarHBondContact O-N 3.37Š|
| 418 | P | 38.5 | Very low | 37.2 | Very low | 122 Ų | 122 | 150.4 Ų | 150.4 | 79% | 0.792 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 121.5 | 163.3 | 31.2 | -28.8 | 0 | 0 | 0 | 108 | ||
| 419 | Q | 42.1 | Very low | 37 | Very low | 193 Ų | 193 | 148.4 Ų | 148.4 | 90% | 0.902 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 136.8 | 161 | -71.4 | -162 | -40 | 0 | 0 | 109 | ||
| 420 | S | 36.3 | Very low | 36.6 | Very low | 192 Ų | 192 | 150.2 Ų | 150.2 | 100% | 1.343 | 84% | 0.839 | S | S | * | * | trans | -60.3 | 0 | -178.5 | 56.7 | 0 | 0 | 0 | 0 | 114.1 |
Retrieved 420 of 420 residues in 232.2 ms
(Link to these results)