| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.3 | Very low | 35.7 | Very low | 245 Ų | 245 | 152.5 Ų | 152.5 | 100% | 1.207 | 80% | 0.8 | S | S | * | * | 0 | 142.7 | 0 | -75.2 | 166.6 | 160.2 | 0 | 0 | 108.1 | |||||
| 2 | T | 36.4 | Very low | 35.6 | Very low | 113 Ų | 113 | 154.7 Ų | 154.7 | 69% | 0.693 | 80% | 0.802 | S | S | * | * | trans | -135.2 | 122.1 | -161.7 | 45.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 3 | H | 36.7 | Very low | 35.5 | Very low | 188 Ų | 188 | 154.5 Ų | 154.5 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | trans | -143.1 | 124.2 | 161.6 | -79.2 | -77.2 | 0 | 0 | 0 | 105.1 | ||||
| 4 | H | 36.4 | Very low | 35.5 | Very low | 163 Ų | 163 | 158.1 Ų | 158.1 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | cis | 56.2 | 126.4 | 32.9 | -70.4 | 75.6 | 0 | 0 | 0 | 113.6 | ||||
| 5 | S | 36.6 | Very low | 35.5 | Very low | 94 Ų | 94 | 163.4 Ų | 163.4 | 66% | 0.657 | 81% | 0.811 | S | S | * | * | cis | -162.5 | 175.7 | -11.9 | -160.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 6 | N | 35 | Very low | 35.3 | Very low | 142 Ų | 142 | 159.5 Ų | 159.5 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | trans | -21.2 | 149.7 | 167 | -55.1 | -25.1 | 0 | 0 | 0 | 117.4 | ||||
| 7 | N | 34.3 | Very low | 35 | Very low | 162 Ų | 162 | 154 Ų | 154 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | -146.3 | 143.6 | 119.8 | -126.4 | -18.4 | 0 | 0 | 0 | 113.1 | |||||
| 8 | S | 33.3 | Very low | 35 | Very low | 111 Ų | 111 | 154.4 Ų | 154.4 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -146.4 | 113.2 | -179.3 | 177.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 9 | V | 37.8 | Very low | 35.3 | Very low | 121 Ų | 121 | 154.7 Ų | 154.7 | 73% | 0.733 | 81% | 0.809 | S | S | * | * | trans | -148.9 | 115.7 | 170.7 | -154.5 | 0 | 0 | 0 | 0 | 102.7 | ||||
| 10 | R | 33.3 | Very low | 35 | Very low | 210 Ų | 210 | 150.6 Ų | 150.6 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | 48.7 | 144.4 | 77.1 | -63.5 | -169.4 | -170.4 | 165.3 | 2.8 | 113.2 | |||||
| 11 | D | 32.8 | Very low | 34.9 | Very low | 128 Ų | 128 | 149.3 Ų | 149.3 | 68% | 0.684 | 81% | 0.807 | S | S | * | * | cis | -162.1 | 144.3 | -20.3 | -93.6 | -34.7 | 0 | 0 | 0 | 104.8 | ||||
| 12 | H | 34.4 | Very low | 34.5 | Very low | 179 Ų | 179 | 147.3 Ų | 147.3 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | -164 | 125.5 | 133.3 | -127.2 | -76.9 | 0 | 0 | 0 | 114 | ||||
| 13 | M | 34.2 | Very low | 34.4 | Very low | 152 Ų | 152 | 146.5 Ų | 146.5 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | trans | -79.7 | 146.8 | 162.1 | -59.3 | 175.4 | -176.5 | 0 | 0 | 110.2 | ||||
| 14 | K | 35.5 | Very low | 34.4 | Very low | 206 Ų | 206 | 144 Ų | 144 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | trans | -137.5 | 111.9 | 143.1 | -79.3 | -164.5 | 174.9 | -179 | 0 | 109.4 | ||||
| 15 | W | 34.9 | Very low | 34.3 | Very low | 237 Ų | 237 | 143.5 Ų | 143.5 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | trans | -81.8 | 150.8 | 168.5 | -82 | 45.2 | 0 | 0 | 0 | 110.8 | ||||
| 16 | A | 32.5 | Very low | 34.2 | Very low | 101 Ų | 101 | 145.2 Ų | 145.2 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | 171.8 | 140.9 | 127 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 17 | G | 30.3 | Very low | 34.2 | Very low | 66 Ų | 66 | 143.6 Ų | 143.6 | 68% | 0.68 | 81% | 0.811 | S | S | * | * | trans | 89.8 | 103.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 18 | L | 35.6 | Very low | 34.3 | Very low | 162 Ų | 162 | 145 Ų | 145 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | cis | 65.9 | 122.6 | 46.2 | -55.5 | 173.4 | 0 | 0 | 0 | 112.6 | ||||
| 19 | L | 39.8 | Very low | 34.4 | Very low | 160 Ų | 160 | 144.5 Ų | 144.5 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | cis | -134.9 | 153.1 | -4.6 | -59.4 | 93.5 | 0 | 0 | 0 | 107.9 | ||||
| 20 | G | 30.7 | Very low | 34.5 | Very low | 72 Ų | 72 | 146.6 Ų | 146.6 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | 110.2 | 148.8 | 68.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 21 | C | 32.8 | Very low | 35 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | cis | -145.3 | 140.3 | -1.3 | -62.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 22 | E | 31.1 | Very low | 35.3 | Very low | 202 Ų | 202 | 148.4 Ų | 148.4 | 94% | 0.944 | 84% | 0.839 | S | S | * | * | trans | -94.6 | 143.6 | 165.5 | -66.4 | -169 | 121.8 | 0 | 0 | 110.5 | ||||
| 23 | A | 35.3 | Very low | 35.4 | Very low | 96 Ų | 96 | 144.3 Ų | 144.3 | 79% | 0.793 | 84% | 0.836 | S | S | * | * | trans | -154.4 | 86.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 24 | V | 34.9 | Very low | 35.6 | Very low | 137 Ų | 137 | 145.3 Ų | 145.3 | 83% | 0.83 | 84% | 0.844 | S | S | * | * | trans | -145.1 | 148 | 166.7 | -145.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 25 | L | 34.5 | Very low | 35.5 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 80% | 0.796 | 84% | 0.84 | S | S | * | * | trans | 72.7 | 103.3 | 165.4 | -52.3 | -177.8 | 0 | 0 | 0 | 119.2 | ||||
| 26 | S | 35.5 | Very low | 35.6 | Very low | 130 Ų | 130 | 138 Ų | 138 | 91% | 0.909 | 83% | 0.831 | S | S | * | * | trans | -151.5 | 152.7 | 131 | -87.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 27 | S | 33.9 | Very low | 36 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 75% | 0.748 | 83% | 0.83 | S | S | * | * | trans | -116.1 | 157.4 | -157.8 | -61.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 28 | M | 37.9 | Very low | 36 | Very low | 192 Ų | 192 | 140.9 Ų | 140.9 | 95% | 0.946 | 83% | 0.832 | S | S | * | * | trans | 39.8 | 110.1 | 145.4 | -69 | 178.4 | 163.5 | 0 | 0 | 119.8 | ||||
| 29 | A | 35.2 | Very low | 35.8 | Very low | 101 Ų | 101 | 140.9 Ų | 140.9 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | trans | -154.6 | 152.9 | 140 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 30 | L | 40.4 | Very low | 35.5 | Very low | 164 Ų | 164 | 141.9 Ų | 141.9 | 86% | 0.859 | 83% | 0.825 | S | S | * | * | cis | -179.8 | 139.1 | -27.2 | -167.1 | 79.3 | 0 | 0 | 0 | 102.5 | ||||
| 31 | M | 42.5 | Very low | 35.4 | Very low | 182 Ų | 182 | 146.5 Ų | 146.5 | 90% | 0.897 | 83% | 0.825 | S | S | * | * | trans | -69.5 | 151.3 | 176.7 | -71.3 | -80.4 | -176 | 0 | 0 | 111.3 | ||||
| 32 | Q | 39.2 | Very low | 35.1 | Very low | 195 Ų | 195 | 147.5 Ų | 147.5 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | trans | -114.3 | 149.5 | 161.7 | -70.3 | -167.7 | -6.7 | 0 | 0 | 110.7 | ||||
| 33 | A | 37.3 | Very low | 35 | Very low | 92 Ų | 92 | 146.1 Ų | 146.1 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | trans | -91.5 | 171 | -163.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 34 | N | 37.7 | Very low | 34.7 | Very low | 174 Ų | 174 | 146.6 Ų | 146.6 | 93% | 0.93 | 81% | 0.812 | S | S | * | * | trans | -140 | 156.7 | 154.6 | -101.3 | -55.7 | 0 | 0 | 0 | 110.8 | ||||
| 35 | N | 32.9 | Very low | 34.6 | Very low | 151 Ų | 151 | 144.8 Ų | 144.8 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | trans | -105.6 | 162.5 | -159.6 | -159.2 | 0.3 | 0 | 0 | 0 | 113.3 | ||||
| 36 | I | 37.8 | Very low | 34.4 | Very low | 139 Ų | 139 | 143.4 Ų | 143.4 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | trans | -79.2 | 152.6 | 176.2 | -26.6 | 178.3 | 0 | 0 | 0 | 109.5 | ||||
| 37 | P | 41.1 | Very low | 34.1 | Very low | 125 Ų | 125 | 139.9 Ų | 139.9 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | -144.6 | 161.1 | 101.1 | 37 | -21.7 | 0 | 0 | 0 | 116 | |||||
| 38 | S | 30.1 | Very low | 34.2 | Very low | 101 Ų | 101 | 144.3 Ų | 144.3 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | -62.1 | 166.2 | 178.6 | -34.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 39 | Q | 30.2 | Very low | 33.7 | Very low | 162 Ų | 162 | 138.3 Ų | 138.3 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | -178.7 | 153.2 | 123.8 | -99.7 | -53.8 | -27.3 | 0 | 0 | 114.6 | |||||
| 40 | K | 33.5 | Very low | 33.5 | Very low | 182 Ų | 182 | 142.1 Ų | 142.1 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | 59.6 | 138 | 166.2 | -63.9 | 168.3 | -174.4 | 175.7 | 0 | 117.4 | ||||
| 41 | K | 30.2 | Very low | 33 | Very low | 169 Ų | 169 | 144 Ų | 144 | 74% | 0.735 | 78% | 0.784 | S | S | * | * | cis | 107.1 | 105.2 | 24.3 | -93 | -158.8 | 163.2 | -158.8 | 0 | 114 | ||||
| 42 | M | 26.8 | Very low | 32.5 | Very low | 144 Ų | 144 | 139.6 Ų | 139.6 | 71% | 0.709 | 77% | 0.771 | S | S | * | * | 75.7 | 156.1 | 129.5 | -63.7 | 171.2 | 163.7 | 0 | 0 | 121.2 | |||||
| 43 | M | 29.1 | Very low | 32.1 | Very low | 173 Ų | 173 | 134.6 Ų | 134.6 | 85% | 0.852 | 76% | 0.758 | S | S | * | * | trans | 75.9 | 125 | 170.6 | -52.9 | -178.4 | 175.2 | 0 | 0 | 114.9 | ||||
| 44 | S | 27.7 | Very low | 31.8 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | cis | 72.8 | 136 | 35.8 | 87.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 45 | S | 32.7 | Very low | 31.8 | Very low | 99 Ų | 99 | 132.8 Ų | 132.8 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | cis | -162 | 178 | 19.4 | 50.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 46 | S | 31.6 | Very low | 31.9 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 85% | 0.853 | 74% | 0.736 | S | S | * | * | trans | 71.9 | 151.2 | 157.9 | -58.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 47 | G | 29.2 | Very low | 31.9 | Very low | 56 Ų | 56 | 132.2 Ų | 132.2 | 58% | 0.577 | 74% | 0.735 | S | S | * | * | cis | 174.8 | 170.8 | -5.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 48 | H | 34.7 | Very low | 31.6 | Very low | 200 Ų | 200 | 132 Ų | 132 | 93% | 0.926 | 72% | 0.723 | S | S | * | * | trans | 71.6 | 136.1 | -177.1 | -42.7 | -66.1 | 0 | 0 | 0 | 114.9 | ||||
| 49 | G | 28.4 | Very low | 31.7 | Very low | 66 Ų | 66 | 133 Ų | 133 | 68% | 0.68 | 73% | 0.725 | S | S | * | * | cis | 114.7 | 131.1 | 10.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 50 | H | 31.3 | Very low | 31.9 | Very low | 182 Ų | 182 | 133.1 Ų | 133.1 | 84% | 0.843 | 73% | 0.725 | S | S | * | * | cis | -128.5 | 160.5 | 27.6 | -60.1 | -112.9 | 0 | 0 | 0 | 110.8 | ||||
| 51 | R | 29 | Very low | 31.7 | Very low | 203 Ų | 203 | 128.3 Ų | 128.3 | 77% | 0.766 | 72% | 0.715 | S | S | * | * | cis | 68.3 | 139.7 | 45.7 | -117.3 | -160.7 | 179.2 | -86.8 | 0.7 | 113.8 | ||||
| 52 | S | 32.8 | Very low | 31.9 | Very low | 89 Ų | 89 | 128.4 Ų | 128.4 | 62% | 0.622 | 72% | 0.718 | S | S | * | * | cis | -147.5 | 175.9 | -2.9 | -26 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 53 | S | 30.6 | Very low | 32.1 | Very low | 90 Ų | 90 | 129.9 Ų | 129.9 | 63% | 0.629 | 72% | 0.723 | S | S | * | * | cis | -150.4 | -169.1 | -3.6 | -111.9 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 54 | A | 30.1 | Very low | 32.1 | Very low | 78 Ų | 78 | 128.2 Ų | 128.2 | 65% | 0.645 | 72% | 0.722 | S | S | * | * | cis | -143.8 | 166.2 | 9.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 55 | E | 37.9 | Very low | 32.5 | Very low | 150 Ų | 150 | 130 Ų | 130 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | 66.7 | 121.8 | 62.9 | -49.6 | 166.7 | -167 | 0 | 0 | 114.2 | |||||
| 56 | D | 34.8 | Very low | 32.2 | Very low | 132 Ų | 132 | 132.7 Ų | 132.7 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | cis | -166 | -173.1 | -17.4 | -120.5 | -61.6 | 0 | 0 | 0 | 107 | ||||
| 57 | H | 38.3 | Very low | 32.5 | Very low | 146 Ų | 146 | 134.9 Ų | 134.9 | 68% | 0.676 | 73% | 0.725 | S | S | * | * | cis | -155.4 | 164.9 | 11.6 | -146.3 | 25.7 | 0 | 0 | 0 | 112.6 | ||||
| 58 | Q | 34.3 | Very low | 32.6 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 57% | 0.565 | 74% | 0.741 | S | S | * | * | trans | 23.7 | 145 | 140 | -102.2 | 54.8 | -6.5 | 0 | 0 | 121.5 | ||||
| 59 | T | 31.6 | Very low | 32.4 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | cis | -145.6 | 147.7 | 32.9 | 49.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 60 | H | 34.4 | Very low | 32.5 | Very low | 164 Ų | 164 | 140 Ų | 140 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | trans | 35.7 | 153.1 | 138.9 | -73.8 | -110.8 | 0 | 0 | 0 | 123.1 | ||||
| 61 | S | 30.3 | Very low | 32.4 | Very low | 82 Ų | 82 | 139.6 Ų | 139.6 | 57% | 0.573 | 73% | 0.731 | S | S | * | * | cis | -178.3 | 134.1 | -21.1 | 173.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 62 | Q | 33.8 | Very low | 32.8 | Very low | 170 Ų | 170 | 135.6 Ų | 135.6 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | trans | 38.5 | 113.5 | 151.5 | -61.4 | -175.2 | 3.2 | 0 | 0 | 119.3 | ||||
| 63 | H | 31.7 | Very low | 32.8 | Very low | 176 Ų | 176 | 140.3 Ų | 140.3 | 82% | 0.815 | 74% | 0.74 | S | S | * | * | 57.4 | 115.5 | 89.9 | -89.3 | -94.5 | 0 | 0 | 0 | 116 | |||||
| 64 | T | 29.9 | Very low | 32.8 | Very low | 138 Ų | 138 | 145.2 Ų | 145.2 | 85% | 0.847 | 75% | 0.753 | S | S | * | * | -169.9 | 169.6 | 107.6 | 19.5 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 65 | L | 34.8 | Very low | 32.8 | Very low | 145 Ų | 145 | 144.6 Ų | 144.6 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | trans | -89.9 | 158.6 | 179 | -45.2 | 97 | 0 | 0 | 0 | 111.3 | ||||
| 66 | N | 26.9 | Very low | 32.6 | Very low | 155 Ų | 155 | 147.1 Ų | 147.1 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | -177 | 174.1 | 112 | -99.1 | -42.4 | 0 | 0 | 0 | 116.2 | |||||
| 67 | H | 38.1 | Very low | 32.2 | Very low | 167 Ų | 167 | 144 Ų | 144 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | -71.7 | -169 | 179.5 | -91.1 | -95.5 | 0 | 0 | 0 | 115.6 | ||||
| 68 | H | 32 | Very low | 32 | Very low | 193 Ų | 193 | 146.5 Ų | 146.5 | 89% | 0.894 | 78% | 0.777 | S | S | * | * | trans | 88.9 | 139.2 | -177.9 | -47 | 93.2 | 0 | 0 | 0 | 112.9 | ||||
| 69 | G | 29 | Very low | 31.9 | Very low | 59 Ų | 59 | 149.6 Ų | 149.6 | 61% | 0.608 | 79% | 0.791 | S | S | * | * | cis | 146 | 155.7 | 1.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 70 | H | 30.4 | Very low | 31.7 | Very low | 178 Ų | 178 | 149.7 Ų | 149.7 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | 66.7 | 159 | -179.7 | -62.8 | 116.4 | 0 | 0 | 0 | 115.5 | ||||
| 71 | Q | 29 | Very low | 31.3 | Very low | 173 Ų | 173 | 149.6 Ų | 149.6 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | cis | -153.6 | -173.2 | -32.4 | -134.8 | 169.1 | 9.5 | 0 | 0 | 109.8 | ||||
| 72 | V | 38.2 | Very low | 31.3 | Very low | 120 Ų | 120 | 153.6 Ų | 153.6 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -88.2 | 147.1 | -176.7 | -161.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 73 | H | 32.3 | Very low | 31 | Very low | 187 Ų | 187 | 148.3 Ų | 148.3 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | trans | -145.6 | 155.7 | 162 | -102.7 | -88.3 | 0 | 0 | 0 | 112.8 | ||||
| 74 | H | 32 | Very low | 30.8 | Very low | 193 Ų | 193 | 149.1 Ų | 149.1 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | trans | -103.8 | 158.3 | -176.4 | -88.3 | -97.8 | 0 | 0 | 0 | 113.8 | ||||
| 75 | G | 29 | Very low | 30.7 | Very low | 65 Ų | 65 | 146.3 Ų | 146.3 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | trans | 162.1 | 99.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 76 | Q | 33.1 | Very low | 30.5 | Very low | 204 Ų | 204 | 144.1 Ų | 144.1 | 95% | 0.953 | 79% | 0.79 | S | S | * | * | 80.6 | 118.7 | 76.2 | -78.6 | -173.9 | -19.3 | 0 | 0 | 115.8 | |||||
| 77 | G | 27.6 | Very low | 30.6 | Very low | 67 Ų | 67 | 144.7 Ų | 144.7 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | trans | 95.1 | 142.6 | 158.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 78 | H | 34.4 | Very low | 30 | Very low | 197 Ų | 197 | 139.7 Ų | 139.7 | 91% | 0.912 | 79% | 0.787 | S | S | * | * | cis | -145 | 161.9 | 0.2 | -87.9 | -101.9 | 0 | 0 | 0 | 111.4 | ||||
| 79 | H | 31.1 | Very low | 29.8 | Very low | 187 Ų | 187 | 136.7 Ų | 136.7 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | trans | -88.4 | 148.1 | 174.7 | -72.8 | -121.7 | 0 | 0 | 0 | 113 | ||||
| 80 | S | 27.9 | Very low | 29.8 | Very low | 123 Ų | 123 | 142 Ų | 142 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | 171.9 | 164.9 | 137.4 | -78.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 81 | H | 26.8 | Very low | 30.3 | Very low | 163 Ų | 163 | 138.5 Ų | 138.5 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | -164.1 | 125.4 | -53.6 | -163.5 | -99.1 | 0 | 0 | 0 | 108.1 | |||||
| 82 | M | 29.5 | Very low | 30.6 | Very low | 165 Ų | 165 | 135.8 Ų | 135.8 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | 33.8 | 134.7 | 159.5 | -54.3 | -61.2 | 179.4 | 0 | 0 | 123.4 | ||||
| 83 | G | 27.3 | Very low | 30.2 | Very low | 59 Ų | 59 | 137 Ų | 137 | 61% | 0.608 | 79% | 0.793 | S | S | * | * | 127.8 | 122 | 117.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 84 | H | 28.3 | Very low | 30 | Very low | 193 Ų | 193 | 136.4 Ų | 136.4 | 89% | 0.894 | 80% | 0.795 | S | S | * | * | trans | 64.5 | 162.9 | 144.6 | -53.5 | -76.1 | 0 | 0 | 0 | 120.2 | ||||
| 85 | A | 27.6 | Very low | 30 | Very low | 79 Ų | 79 | 134.4 Ų | 134.4 | 65% | 0.653 | 79% | 0.79 | S | S | * | * | cis | -165.1 | 160.6 | -36.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 86 | S | 30.3 | Very low | 30.1 | Very low | 100 Ų | 100 | 141.9 Ų | 141.9 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | trans | 20.8 | 120.5 | 154.8 | 56.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 87 | D | 28.2 | Very low | 29.8 | Very low | 167 Ų | 167 | 140.2 Ų | 140.2 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | -178.3 | 154.2 | 112.6 | -94.1 | -16.3 | 0 | 0 | 0 | 110.8 | |||||
| 88 | G | 26.8 | Very low | 29.8 | Very low | 62 Ų | 62 | 144.1 Ų | 144.1 | 64% | 0.639 | 79% | 0.792 | S | S | * | * | cis | 166.2 | 107.6 | -8.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 89 | S | 27.8 | Very low | 30.2 | Very low | 129 Ų | 129 | 138.4 Ų | 138.4 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -170.4 | 130.7 | 165.1 | -86.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 90 | L | 27.3 | Very low | 29.9 | Very low | 170 Ų | 170 | 137.2 Ų | 137.2 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | trans | -152.3 | 165.4 | 169.8 | -84.4 | 176.9 | 0 | 0 | 0 | 107.3 | ||||
| 91 | P | 41.7 | Very low | 29.7 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | cis | -116.3 | -131.7 | -14.3 | 29.2 | -5.1 | 0 | 0 | 0 | 109 | ||||
| 92 | P | 36.4 | Very low | 29.7 | Very low | 116 Ų | 116 | 142.5 Ų | 142.5 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | cis | -118.9 | 156.9 | 37 | 34.8 | -19.6 | 0 | 0 | 0 | 115.3 | ||||
| 93 | L | 29.4 | Very low | 29.7 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | trans | -76.1 | 140.7 | 167.9 | -63.8 | 167.7 | 0 | 0 | 0 | 110.4 | ||||
| 94 | L | 27.5 | Very low | 29.7 | Very low | 173 Ų | 173 | 144 Ų | 144 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | trans | -128.4 | 117.8 | 157.8 | -75.1 | 178.8 | 0 | 0 | 0 | 109.8 | ||||
| 95 | I | 31.6 | Very low | 29.7 | Very low | 152 Ų | 152 | 146.2 Ų | 146.2 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -104.5 | 118.5 | 178.8 | -60.7 | 170.1 | 0 | 0 | 0 | 108.9 | ||||
| 96 | R | 30.6 | Very low | 29.8 | Very low | 221 Ų | 221 | 148.9 Ų | 148.9 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | -172.4 | 135.1 | 151.7 | -102.3 | 167.8 | 142.7 | 108.2 | -5.2 | 106.6 | ||||
| 97 | K | 28.6 | Very low | 29.9 | Very low | 169 Ų | 169 | 152.1 Ų | 152.1 | 74% | 0.735 | 81% | 0.806 | S | S | * | * | 55.5 | 116.8 | 80.4 | -63.3 | -164.3 | 176.8 | -168.1 | 0 | 111.3 | |||||
| 98 | D | 27 | Very low | 29.9 | Very low | 149 Ų | 149 | 150.7 Ų | 150.7 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | cis | -136.1 | 173.8 | 10.9 | -67.9 | -64.1 | 0 | 0 | 0 | 112.4 | E100 | D98-E100 PolarHBondContact O-N 3.5Š| ||
| 99 | G | 41.6 | Very low | 30.1 | Very low | 77 Ų | 77 | 151 Ų | 151 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | -89.2 | 103.3 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 100 | E | 25.7 | Very low | 30.2 | Very low | 163 Ų | 163 | 153.9 Ų | 153.9 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | -131.6 | 125.8 | 162.6 | -84.3 | -172.4 | 159.9 | 0 | 0 | 111.9 | D98 H102 | D98-E100 PolarHBondContact O-N 3.5Å; E100-H102 PolarHBondContact O-N 3.35Å | ||
| 101 | Y | 24.8 | Very low | 30.3 | Very low | 240 Ų | 240 | 153 Ų | 153 | 94% | 0.941 | 79% | 0.794 | S | S | * | * | trans | -82 | 77.4 | -177 | -72.3 | -86.2 | 0 | 0 | 0 | 112.2 | T103 | Y101-T103 PolarHBondContact O-N 3.41Š| ||
| 102 | H | 26.3 | Very low | 29.9 | Very low | 156 Ų | 156 | 154.1 Ų | 154.1 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | -69.4 | 126.3 | 168.5 | -84.1 | -75.8 | 0 | 0 | 0 | 111.8 | E100 S104 | E100-H102 PolarHBondContact O-N 3.35Å; H102-S104 VanDerWaalsContact C-N 3.34Å; H102-S104 PolarHBondContact O-N 3.47Å | ||
| 103 | T | 29 | Very low | 30 | Very low | 138 Ų | 138 | 158 Ų | 158 | 85% | 0.847 | 81% | 0.807 | S | S | * | * | trans | -76.6 | 82 | 177.4 | 56.2 | 0 | 0 | 0 | 0 | 110.8 | Y101 R105 | Y101-T103 PolarHBondContact O-N 3.41Å; T103-R105 PolarHBondContact O-N 2.88Å; T103-R105 VanDerWaalsContact O-N 3.1Å | ||
| 104 | S | 27.6 | Very low | 30.1 | Very low | 119 Ų | 119 | 158.6 Ų | 158.6 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -57.8 | 113.2 | -179.8 | -65 | 0 | 0 | 0 | 0 | 112.2 | H102 | H102-S104 VanDerWaalsContact C-N 3.34Å; H102-S104 PolarHBondContact O-N 3.47Å | ||
| 105 | R | 28.6 | Very low | 30.4 | Very low | 238 Ų | 238 | 155.3 Ų | 155.3 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | -122.7 | 83 | 173.9 | -171.7 | -168.2 | -165.1 | 174.6 | 5.7 | 109.4 | T103 | T103-R105 PolarHBondContact O-N 2.88Å; T103-R105 VanDerWaalsContact O-N 3.1Å | ||
| 106 | I | 28.6 | Very low | 30.9 | Very low | 136 Ų | 136 | 157.4 Ų | 157.4 | 70% | 0.697 | 80% | 0.797 | S | S | * | * | trans | -122.4 | 121.4 | 165.2 | -55.9 | 179.3 | 0 | 0 | 0 | 107 | D108 | I106-D108 WeakPolarHBondContact CG2-OD2 3.44Š| ||
| 107 | I | 32.8 | Very low | 31.2 | Very low | 167 Ų | 167 | 152.1 Ų | 152.1 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | trans | -133.9 | 103.5 | 160.5 | -60.8 | 178 | 0 | 0 | 0 | 103.3 | ||||
| 108 | D | 28.1 | Very low | 32.1 | Very low | 138 Ų | 138 | 147.4 Ų | 147.4 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | -69.1 | 158.6 | 171.8 | -76.1 | -64.9 | 0 | 0 | 0 | 110.8 | I106 | I106-D108 WeakPolarHBondContact CG2-OD2 3.44Š| ||
| 109 | G | 31.1 | Very low | 32.6 | Very low | 68 Ų | 68 | 146.7 Ų | 146.7 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | -64.9 | 179.8 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 110 | K | 29.1 | Very low | 32.5 | Very low | 190 Ų | 190 | 147.3 Ų | 147.3 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | cis | -147.8 | 176.8 | 31.8 | -71 | 161.3 | -176.9 | 167.8 | 0 | 113.7 | ||||
| 111 | D | 29.6 | Very low | 33.5 | Very low | 150 Ų | 150 | 148.1 Ų | 148.1 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | trans | 72.6 | 58.7 | 155.3 | -50.3 | -33.7 | 0 | 0 | 0 | 120.4 | ||||
| 112 | V | 32.9 | Very low | 34.3 | Very low | 129 Ų | 129 | 145.4 Ų | 145.4 | 78% | 0.782 | 74% | 0.744 | S | S | * | * | trans | -132.5 | 80.9 | 145.1 | -172.5 | 0 | 0 | 0 | 0 | 111 | M114 | V112-M114 HydrophobicContact CG1-CG 4.33Å; V112-M114 PolarHBondContact O-N 3.49Å; V112-M114 VanDerWaalsContact O-N 3.08Å | ||
| 113 | Q | 39.2 | Very low | 35 | Very low | 199 Ų | 199 | 148.1 Ų | 148.1 | 93% | 0.93 | 75% | 0.754 | S | S | * | * | trans | -82.7 | 78.7 | 175.9 | -169.1 | 171.4 | -4 | 0 | 0 | 111.6 | ||||
| 114 | M | 31.7 | Very low | 35.4 | Very low | 159 Ų | 159 | 149.8 Ų | 149.8 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | trans | -118.8 | 89.7 | 172.9 | -71.7 | -158.3 | 178.4 | 0 | 0 | 113 | V112 Q116 | V112-M114 HydrophobicContact CG1-CG 4.33Å; V112-M114 PolarHBondContact O-N 3.49Å; V112-M114 VanDerWaalsContact O-N 3.08Å; M114-Q116 PolarHBondContact O-N 3Å | ||
| 115 | N | 34.2 | Very low | 35.8 | Very low | 104 Ų | 104 | 153.6 Ų | 153.6 | 56% | 0.556 | 75% | 0.753 | S | S | * | * | trans | 13.1 | 96.8 | 161.8 | -171.5 | -5.2 | 0 | 0 | 0 | 117.1 | N117 | N115-N117 VanDerWaalsContact C-N 3.32Å; N115-N117 PolarHBondContact O-N 3.06Å; N115-N117 VanDerWaalsContact O-N 3.09Å; N115-N117 PolarHBondContact OD1-N 3.12Å | ||
| 116 | Q | 41 | Very low | 36 | Very low | 195 Ų | 195 | 152.2 Ų | 152.2 | 91% | 0.911 | 75% | 0.754 | S | S | * | * | trans | -82.5 | 60.2 | 176.2 | -60.7 | -175.1 | 17.2 | 0 | 0 | 113.2 | M114 | M114-Q116 PolarHBondContact O-N 3Š| ||
| 117 | N | 38.6 | Very low | 36.3 | Very low | 111 Ų | 111 | 148.5 Ų | 148.5 | 59% | 0.594 | 74% | 0.74 | S | S | * | * | trans | -135.5 | 62.8 | 172.1 | -157.3 | 5.2 | 0 | 0 | 0 | 114.4 | N115 | N115-N117 VanDerWaalsContact C-N 3.32Å; N115-N117 PolarHBondContact O-N 3.06Å; N115-N117 VanDerWaalsContact O-N 3.09Å; N115-N117 PolarHBondContact OD1-N 3.12Å | ||
| 118 | L | 46.4 | Very low | 36.3 | Very low | 70 Ų | 70 | 145.8 Ų | 145.8 | 37% | 0.366 | 74% | 0.736 | S | S | . | * | trans | -117.5 | 61.6 | 168.6 | -76 | 166.1 | 0 | 0 | 0 | 109.7 | P120 T224 L227 | L118-P120 VanDerWaalsContact O-CD 3.26Å; L118-P120 WeakPolarHBondContact O-CD 3.33Å; L118-T224 HydrophobicContact CD1-CG2 4.03Å; L118-L227 HydrophobicContact CD2-CD2 3.65Å | ||
| 119 | Q | 38.3 | Very low | 37.1 | Very low | 133 Ų | 133 | 145.8 Ų | 145.8 | 62% | 0.621 | 73% | 0.731 | S | S | * | * | trans | -78.1 | 118.2 | -175.7 | -68.5 | -162.5 | 9.8 | 0 | 0 | 113.5 | K121 | Q119-K121 PolarHBondContact O-N 3.08Š| ||
| 120 | P | 39.7 | Very low | 37.3 | Very low | 90 Ų | 90 | 151.2 Ų | 151.2 | 58% | 0.584 | 74% | 0.735 | S | S | * | * | trans | -82.3 | 98.6 | 167.5 | 33.1 | -31.6 | 0 | 0 | 0 | 110.5 | L118 K122 | L118-P120 VanDerWaalsContact O-CD 3.26Å; L118-P120 WeakPolarHBondContact O-CD 3.33Å; P120-K122 PolarHBondContact O-N 3.19Å | ||
| 121 | K | 45.9 | Very low | 37.8 | Very low | 181 Ų | 181 | 146.4 Ų | 146.4 | 79% | 0.787 | 72% | 0.722 | S | S | * | * | trans | -76.4 | 87 | 177.5 | -74.8 | -170.5 | 178.3 | 179.9 | 0 | 112.8 | Q119 | Q119-K121 PolarHBondContact O-N 3.08Š| ||
| 122 | K | 41.1 | Very low | 38.3 | Very low | 182 Ų | 182 | 148.4 Ų | 148.4 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | trans | 175.2 | 138.7 | 133.9 | -94.9 | 158 | -174.3 | 179.7 | 0 | 111.6 | P120 | P120-K122 PolarHBondContact O-N 3.19Š| ||
| 123 | K | 42.2 | Very low | 38.6 | Very low | 214 Ų | 214 | 149 Ų | 149 | 93% | 0.93 | 72% | 0.718 | S | S | * | * | trans | -81.6 | 129.4 | 175.9 | -60.7 | 174.7 | -177.1 | 174.8 | 0 | 109.2 | ||||
| 124 | H | 36 | Very low | 38.6 | Very low | 172 Ų | 172 | 147.9 Ų | 147.9 | 80% | 0.796 | 71% | 0.71 | S | S | * | * | trans | -115.9 | 148.5 | 170.9 | -80.3 | -92.1 | 0 | 0 | 0 | 112.8 | ||||
| 125 | K | 35.7 | Very low | 39 | Very low | 200 Ų | 200 | 142.7 Ų | 142.7 | 87% | 0.87 | 69% | 0.687 | S | S | * | * | trans | -68.7 | 140.7 | -163.5 | -157.8 | 170 | -177.7 | 177.6 | 0 | 111.6 | S127 | K125-S127 PolarHBondContact O-N 2.81Š| ||
| 126 | K | 33 | Very low | 39.4 | Very low | 208 Ų | 208 | 144.4 Ų | 144.4 | 90% | 0.904 | 69% | 0.691 | S | S | * | * | trans | -63.7 | 101.2 | 172.7 | -70.2 | 179.9 | 179.6 | 176.7 | 0 | 109.7 | ||||
| 127 | S | 35.3 | Very low | 39.7 | Very low | 58 Ų | 58 | 138.3 Ų | 138.3 | 41% | 0.406 | 67% | 0.667 | S | S | . | * | trans | -102.3 | 107.2 | 163.6 | 175.4 | 0 | 0 | 0 | 0 | 109.3 | K125 H129 R196 | K125-S127 PolarHBondContact O-N 2.81Å; S127-H129 PolarHBondContact O-N 2.9Å; S127-H129 PolarHBondContact OG-CD2 2.85Å; S127-H129 PolarHBondContact OG-NE2 3.24Å; S127-R196 PolarHBondContact O-NH1 3.05Å | ||
| 128 | S | 32.3 | Very low | 40.4 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 78% | 0.776 | 67% | 0.668 | S | S | * | * | trans | -93.4 | 91.9 | -179.8 | -66 | 0 | 0 | 0 | 0 | 111 | K130 | S128-K130 PolarHBondContact O-N 2.79Š| ||
| 129 | H | 45.4 | Very low | 40.7 | Very low | 138 Ų | 138 | 142.2 Ų | 142.2 | 64% | 0.639 | 69% | 0.687 | S | S | * | * | trans | -71.8 | 99.5 | 165.9 | -67.7 | -93.1 | 0 | 0 | 0 | 108.8 | S127 V131 | S127-H129 PolarHBondContact O-N 2.9Å; S127-H129 PolarHBondContact OG-CD2 2.85Å; S127-H129 PolarHBondContact OG-NE2 3.24Å; H129-V131 PolarHBondContact O-N 3.33Å | ||
| 130 | K | 34.9 | Very low | 41.4 | Very low | 181 Ų | 181 | 137.1 Ų | 137.1 | 79% | 0.787 | 67% | 0.665 | S | S | * | * | trans | -86.9 | 84.3 | -179.5 | -172.8 | 174.9 | -178.2 | 175.9 | 0 | 109.8 | S128 K132 | S128-K130 PolarHBondContact O-N 2.79Å; K130-K132 PolarHBondContact O-N 2.52Å | ||
| 131 | V | 40.7 | Very low | 42 | Very low | 89 Ų | 89 | 139.4 Ų | 139.4 | 54% | 0.539 | 67% | 0.668 | S | S | . | * | trans | -57 | 120.6 | 167.7 | -178.3 | 0 | 0 | 0 | 0 | 108 | H129 E133 | H129-V131 PolarHBondContact O-N 3.33Å; V131-E133 HydrophobicContact CG1-CB 4.14Å | ||
| 132 | K | 40.1 | Very low | 42.1 | Very low | 193 Ų | 193 | 134.5 Ų | 134.5 | 84% | 0.839 | 65% | 0.648 | S | S | * | * | trans | -101.3 | 97.1 | 174.6 | -73.3 | -177.8 | 179.5 | 178.9 | 0 | 107.7 | K130 | K130-K132 PolarHBondContact O-N 2.52Š| ||
| 133 | E | 38.5 | Very low | 42.4 | Very low | 142 Ų | 142 | 131.7 Ų | 131.7 | 66% | 0.664 | 64% | 0.642 | S | S | * | * | trans | -143.8 | 136 | 179.4 | -160.2 | 139.2 | -157.5 | 0 | 0 | 110.9 | V131 V135 | V131-E133 HydrophobicContact CG1-CB 4.14Å; E133-V135 PolarHBondContact O-N 2.65Å | ||
| 134 | K | 38.9 | Very low | 43 | Very low | 174 Ų | 174 | 130 Ų | 130 | 76% | 0.757 | 64% | 0.64 | S | S | * | * | trans | -86.1 | 61.5 | -171.3 | -167.4 | -149 | -178.9 | -163.4 | 0 | 110.6 | E136 | K134-E136 HydrophobicContact CD-CG 4.35Å; K134-E136 WeakPolarHBondContact CE-OE1 3.42Å; K134-E136 HydrophobicContact CG-CG 4.48Å; K134-E136 IonicContact NZ-OE1 3.58Å; K134-E136 PolarHBondContact NZ-OE1 3.08Å; K134-E136 PolarHBondContact O-N 3.47Å | ||
| 135 | V | 41 | Very low | 43.8 | Very low | 51 Ų | 51 | 129.1 Ų | 129.1 | 31% | 0.309 | 64% | 0.641 | S | S | . | * | trans | -67.9 | 102.6 | 166.4 | -176.4 | 0 | 0 | 0 | 0 | 107.6 | E133 | E133-V135 PolarHBondContact O-N 2.65Š| ||
| 136 | E | 43.5 | Very low | 44.8 | Very low | 139 Ų | 139 | 127 Ų | 127 | 65% | 0.65 | 64% | 0.639 | S | S | * | * | trans | -61.6 | 137.4 | 175.7 | -63.4 | -169.1 | 151.4 | 0 | 0 | 109.6 | K134 | K134-E136 HydrophobicContact CD-CG 4.35Å; K134-E136 WeakPolarHBondContact CE-OE1 3.42Å; K134-E136 HydrophobicContact CG-CG 4.48Å; K134-E136 IonicContact NZ-OE1 3.58Å; K134-E136 PolarHBondContact NZ-OE1 3.08Å; K134-E136 PolarHBondContact O-N 3.47Å | ||
| 137 | V | 46.8 | Very low | 45.7 | Very low | 67 Ų | 67 | 123.3 Ų | 123.3 | 41% | 0.406 | 63% | 0.629 | S | S | . | * | trans | -107.5 | 103.7 | -172.4 | -170.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 138 | L | 51.8 | Low | 47.2 | Very low | 117 Ų | 117 | 125.7 Ų | 125.7 | 61% | 0.613 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 145.9 | 177.3 | -141.5 | 72 | 0 | 0 | 0 | 110.4 | D159 | L138-D159 WeakPolarHBondContact CD2-OD1 3.44Š|
| 139 | I | 54.1 | Low | 48.5 | Very low | 146 Ų | 146 | 125.7 Ų | 125.7 | 75% | 0.749 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 134.9 | -167.2 | -62.3 | 174.8 | 0 | 0 | 0 | 108.5 | H141 | I139-H141 PolarHBondContact O-N 3.19Š|
| 140 | P | 52.9 | Low | 49 | Very low | 27 Ų | 27 | 126.2 Ų | 126.2 | 18% | 0.175 | 65% | 0.653 | C | S | . | * | P | Polyproline II helix | trans | -60.7 | 124.6 | 177.3 | 22.6 | -32.7 | 0 | 0 | 0 | 111.3 | ||
| 141 | H | 52.6 | Low | 50 | Low | 137 Ų | 137 | 129.4 Ų | 129.4 | 63% | 0.634 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 138.3 | 167 | -158.6 | -97.4 | 0 | 0 | 0 | 109.6 | I139 D143 | I139-H141 PolarHBondContact O-N 3.19Å; H141-D143 IonicContact CE1-OD1 2.59Å; H141-D143 PolarHBondContact CE1-OD1 3.16Å; H141-D143 IonicContact ND1-OD1 3.28Å; H141-D143 PolarHBondContact ND1-OD1 3.39Å; H141-D143 VanDerWaalsContact ND1-OD1 3.11Å; H141-D143 IonicContact ND1-OD2 3.29Å |
| 142 | M | 46.6 | Very low | 50.9 | Low | 78 Ų | 78 | 130.9 Ų | 130.9 | 38% | 0.384 | 67% | 0.669 | S | S | . | * | trans | -133.6 | 107.4 | 178.5 | -53.9 | -94.5 | 69.7 | 0 | 0 | 106.9 | K154 | M142-K154 HydrophobicContact CE-CD 4.4Å; M142-K154 HydrophobicContact CE-CG 4.15Å; M142-K154 HydrophobicContact SD-CD 4.06Å; M142-K154 HydrophobicContact SD-CG 4.46Å; M142-K154 PolarHBondContact SD-NZ 3.07Å | ||
| 143 | D | 47.9 | Very low | 52.1 | Low | 123 Ų | 123 | 127 Ų | 127 | 66% | 0.658 | 65% | 0.654 | S | S | * | * | trans | -73.6 | 138.5 | 173.4 | -51.7 | -74.9 | 0 | 0 | 0 | 109.1 | H141 | H141-D143 IonicContact CE1-OD1 2.59Å; H141-D143 PolarHBondContact CE1-OD1 3.16Å; H141-D143 IonicContact ND1-OD1 3.28Å; H141-D143 PolarHBondContact ND1-OD1 3.39Å; H141-D143 VanDerWaalsContact ND1-OD1 3.11Å; H141-D143 IonicContact ND1-OD2 3.29Å | ||
| 144 | M | 55.6 | Low | 53.7 | Low | 178 Ų | 178 | 125.4 Ų | 125.4 | 88% | 0.877 | 64% | 0.644 | S | S | * | * | trans | -106.7 | 79 | -168.8 | -70.7 | -74.9 | -168.2 | 0 | 0 | 110.7 | ||||
| 145 | D | 51.2 | Low | 55.9 | Low | 155 Ų | 155 | 119.9 Ų | 119.9 | 83% | 0.829 | 62% | 0.623 | S | S | * | * | trans | -118.3 | 138.4 | 171.6 | -73.7 | -62.9 | 0 | 0 | 0 | 110.7 | ||||
| 146 | D | 58.7 | Low | 58.2 | Low | 155 Ų | 155 | 119.6 Ų | 119.6 | 83% | 0.829 | 62% | 0.618 | S | S | * | * | trans | -99 | 95.3 | -168.8 | -176.2 | 26.1 | 0 | 0 | 0 | 112.6 | ||||
| 147 | D | 51.8 | Low | 60.5 | Low | 130 Ų | 130 | 116.4 Ų | 116.4 | 70% | 0.695 | 60% | 0.604 | S | S | * | * | trans | -151.1 | 125.2 | 147.6 | 179.4 | 40.8 | 0 | 0 | 0 | 111.4 | S149 | D147-S149 PolarHBondContact O-N 3.42Š| ||
| 148 | S | 66.3 | Low | 62.6 | Low | 108 Ų | 108 | 113.3 Ų | 113.3 | 76% | 0.755 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 65.6 | -167.3 | -73.4 | 0 | 0 | 0 | 0 | 113.5 | ||
| 149 | S | 59.1 | Low | 64.4 | Low | 111 Ų | 111 | 111.8 Ų | 111.8 | 78% | 0.776 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.7 | -10.2 | 166.8 | -87.4 | 0 | 0 | 0 | 0 | 117.4 | D147 | D147-S149 PolarHBondContact O-N 3.42Š|
| 150 | L | 57 | Low | 66.1 | Low | 150 Ų | 150 | 111.7 Ų | 111.7 | 79% | 0.785 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -86 | 137.1 | 174.1 | -64.5 | -179.2 | 0 | 0 | 0 | 111.8 | V152 | L150-V152 PolarHBondContact O-N 3.06Š|
| 151 | R | 55.2 | Low | 68 | Low | 248 Ų | 248 | 113.3 Ų | 113.3 | 94% | 0.936 | 59% | 0.586 | S | S | * | * | trans | -67.6 | 93.1 | 170.3 | -75.3 | -176.7 | 177.1 | 172.4 | 0.4 | 109.6 | Q153 | R151-Q153 VanDerWaalsContact C-N 3.29Å; R151-Q153 PolarHBondContact O-N 3.32Å | ||
| 152 | V | 60.2 | Low | 69.8 | Low | 120 Ų | 120 | 115.3 Ų | 115.3 | 73% | 0.727 | 59% | 0.589 | S | S | * | * | trans | -61.2 | 90.8 | 169.9 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | L150 K154 | L150-V152 PolarHBondContact O-N 3.06Å; V152-K154 VanDerWaalsContact C-N 3.32Å; V152-K154 PolarHBondContact O-N 2.85Å | ||
| 153 | Q | 64.1 | Low | 71.9 | Confident | 111 Ų | 111 | 112.8 Ų | 112.8 | 52% | 0.519 | 58% | 0.583 | S | S | . | * | trans | -70.9 | 92.4 | 176.5 | 172.4 | 153.1 | 74.1 | 0 | 0 | 108.2 | R151 N155 | R151-Q153 VanDerWaalsContact C-N 3.29Å; R151-Q153 PolarHBondContact O-N 3.32Å; Q153-N155 VanDerWaalsContact O-CG 3.29Å; Q153-N155 PolarHBondContact O-N 3.37Å; Q153-N155 PolarHBondContact O-ND2 3.46Å | ||
| 154 | K | 71.8 | Confident | 74 | Confident | 108 Ų | 108 | 110 Ų | 110 | 47% | 0.47 | 58% | 0.577 | S | S | . | * | trans | -55 | 96.9 | 178.8 | -173.5 | 158.2 | -173.1 | 146.3 | 0 | 111 | M142 V152 | M142-K154 HydrophobicContact CE-CD 4.4Å; M142-K154 HydrophobicContact CE-CG 4.15Å; M142-K154 HydrophobicContact SD-CD 4.06Å; M142-K154 HydrophobicContact SD-CG 4.46Å; M142-K154 PolarHBondContact SD-NZ 3.07Å; V152-K154 VanDerWaalsContact C-N 3.32Å; V152-K154 PolarHBondContact O-N 2.85Å | ||
| 155 | N | 86 | Confident | 75.6 | Confident | 58 Ų | 58 | 103.9 Ų | 103.9 | 31% | 0.31 | 55% | 0.546 | S | S | . | . | trans | -87.4 | 157.4 | 177.5 | -70.6 | -44.9 | 0 | 0 | 0 | 110.3 | Q153 A164 F165 | Q153-N155 VanDerWaalsContact O-CG 3.29Å; Q153-N155 PolarHBondContact O-N 3.37Å; Q153-N155 PolarHBondContact O-ND2 3.46Å; N155-A164 HydrophobicContact CB-CB 4.25Å; N155-F165 WeakPolarHBondContact CA-O 3.35Å | ||
| 156 | F | 89.4 | Confident | 77.4 | Confident | 46 Ų | 46 | 105.7 Ų | 105.7 | 20% | 0.202 | 54% | 0.541 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 117.5 | 175.2 | -64.3 | -97.3 | 0 | 0 | 0 | 106.7 | F165 S167 S168 L171 | F156-F165 PolarHBondContact N-O 3.31Å; F156-F165 WeakPolarHBondContact O-CB 3.48Å; F156-F165 PolarHBondContact O-N 3.14Å; F156-S167 VanDerWaalsContact CD2-CA 3.49Å; F156-S168 VanDerWaalsContact CD2-N 3.29Å; F156-L171 HydrophobicContact CB-CB 4.04Å; F156-L171 HydrophobicContact CB-CD2 3.77Å |
| 157 | I | 90.8 | Very high | 78.9 | Confident | 71 Ų | 71 | 100 Ų | 100 | 36% | 0.364 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 147.5 | -174.7 | -59.7 | 178.2 | 0 | 0 | 0 | 109.2 | Y162 G163 L171 | I157-Y162 HydrophobicContact CG2-CD1 4.32Å; I157-G163 WeakPolarHBondContact CA-O 3.4Å; I157-L171 WeakPolarHBondContact O-CD2 3.39Å |
| 158 | C | 91.3 | Very high | 80.6 | Confident | 3 Ų | 3 | 96.1 Ų | 96.1 | 2% | 0.02 | 50% | 0.496 | C | S | . | . | trans | -95.3 | 117.1 | 172.4 | -174.1 | 0 | 0 | 0 | 0 | 110.7 | H160 C161 Y162 G163 F165 L171 H174 H178 | C158-H160 PolarHBondContact O-N 2.92Å; C158-C161 PolarHBondContact O-N 2.87Å; C158-C161 VanDerWaalsContact O-N 3.17Å; C158-Y162 WeakPolarHBondContact O-CA 3.19Å; C158-Y162 PolarHBondContact O-N 3.5Å; C158-G163 PolarHBondContact N-O 3.2Å; C158-F165 HydrophobicContact CB-CE2 4.11Å; C158-L171 HydrophobicContact CB-CD1 3.5Å; C158-H174 PolarHBondContact SG-NE2 2.81Å; C158-H174 VanDerWaalsContact SG-NE2 3.43Å; C158-H178 VanDerWaalsContact SG-CD2 3.56Å; C158-H178 PolarHBondContact SG-NE2 3.1Å | ||
| 159 | D | 89.4 | Confident | 81.8 | Confident | 84 Ų | 84 | 98.1 Ų | 98.1 | 45% | 0.449 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -14 | -172.4 | -43.6 | -66.3 | 0 | 0 | 0 | 113.9 | L138 | L138-D159 WeakPolarHBondContact CD2-OD1 3.44Š|
| 160 | H | 90.4 | Very high | 83.4 | Confident | 144 Ų | 144 | 96.7 Ų | 96.7 | 67% | 0.667 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -17.1 | 179.4 | -165.8 | 86.5 | 0 | 0 | 0 | 114.2 | C158 H178 | C158-H160 PolarHBondContact O-N 2.92Å; H160-H178 AromaticContact CD2-CE1 3.62Å; H160-H178 AromaticContact CD2-CG 3.67Å; H160-H178 AromaticContact CD2-ND1 3.36Å; H160-H178 PolarHBondContact CD2-ND1 3.42Å |
| 161 | C | 93.4 | Very high | 85.1 | Confident | 61 Ų | 61 | 89.9 Ų | 89.9 | 41% | 0.412 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -145.1 | 2.5 | -178.9 | 72 | 0 | 0 | 0 | 0 | 114.9 | C158 G163 H174 | C158-C161 PolarHBondContact O-N 2.87Å; C158-C161 VanDerWaalsContact O-N 3.17Å; C161-G163 PolarHBondContact O-N 3.47Å; C161-H174 PolarHBondContact SG-NE2 3.14Å |
| 162 | Y | 90.1 | Very high | 86.8 | Confident | 180 Ų | 180 | 82.3 Ų | 82.3 | 71% | 0.706 | 41% | 0.407 | S | S | * | . | trans | 54.1 | 16.6 | -176.4 | -53.4 | -75.4 | 0 | 0 | 0 | 115.5 | I157 C158 A164 | I157-Y162 HydrophobicContact CG2-CD1 4.32Å; C158-Y162 WeakPolarHBondContact O-CA 3.19Å; C158-Y162 PolarHBondContact O-N 3.5Å; Y162-A164 PolarHBondContact O-N 3.02Å | ||
| 163 | G | 90.2 | Very high | 88.3 | Confident | 24 Ų | 24 | 79.8 Ų | 79.8 | 25% | 0.247 | 39% | 0.385 | C | S | . | . | trans | -65.3 | 129.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I157 C158 C161 F165 | I157-G163 WeakPolarHBondContact CA-O 3.4Å; C158-G163 PolarHBondContact N-O 3.2Å; C161-G163 PolarHBondContact O-N 3.47Å; G163-F165 VanDerWaalsContact O-CD2 3.23Å; G163-F165 WeakPolarHBondContact O-CD2 3.25Å; G163-F165 WeakPolarHBondContact O-CE2 3.43Å | ||
| 164 | A | 91.6 | Very high | 89.7 | Confident | 66 Ų | 66 | 76.1 Ų | 76.1 | 55% | 0.545 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 129.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N155 Y162 | N155-A164 HydrophobicContact CB-CB 4.25Å; Y162-A164 PolarHBondContact O-N 3.02Å |
| 165 | F | 90 | Very high | 90.7 | Very high | 49 Ų | 49 | 73 Ų | 73 | 22% | 0.215 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 133 | -177 | -62 | -86.8 | 0 | 0 | 0 | 112.2 | N155 F156 C158 G163 S167 H170 L171 H174 | N155-F165 WeakPolarHBondContact CA-O 3.35Å; F156-F165 PolarHBondContact N-O 3.31Å; F156-F165 WeakPolarHBondContact O-CB 3.48Å; F156-F165 PolarHBondContact O-N 3.14Å; C158-F165 HydrophobicContact CB-CE2 4.11Å; G163-F165 VanDerWaalsContact O-CD2 3.23Å; G163-F165 WeakPolarHBondContact O-CD2 3.25Å; G163-F165 WeakPolarHBondContact O-CE2 3.43Å; F165-S167 PolarHBondContact O-N 3.13Å; F165-H170 HydrophobicContact CB-CB 4.11Å; F165-H170 HydrophobicContact CD1-CB 4.05Å; F165-H170 HydrophobicContact CG-CB 4.44Å; F165-L171 HydrophobicContact CB-CB 4.23Å; F165-L171 HydrophobicContact CD2-CB 4.15Å; F165-L171 HydrophobicContact CD2-CD1 3.92Å; F165-L171 HydrophobicContact CE2-CD1 4.2Å; F165-L171 HydrophobicContact CG-CB 4.31Å; F165-H174 HydrophobicContact CE1-CB 3.94Å; F165-H174 HydrophobicContact CE2-CB 4.24Å; F165-H174 AromaticContact CE2-CD2 3.18Å; F165-H174 WeakPolarHBondContact CE2-CD2 3.38Å; F165-H174 AromaticContact CE2-CG 3.83Å; F165-H174 AromaticContact CE2-NE2 3.81Å; F165-H174 HydrophobicContact CZ-CB 3.69Å; F165-H174 AromaticContact CZ-CD2 3.15Å; F165-H174 WeakPolarHBondContact CZ-CD2 3.42Å; F165-H174 AromaticContact CZ-CG 3.32Å; F165-H174 AromaticContact CZ-NE2 3.73Å |
| 166 | R | 89.1 | Confident | 91.1 | Very high | 193 Ų | 193 | 71.5 Ų | 71.5 | 73% | 0.728 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -67.1 | 4.5 | 179 | -65.1 | -177.7 | 170.6 | 112.7 | 1 | 115.6 | ||
| 167 | S | 89.4 | Confident | 91.2 | Very high | 35 Ų | 35 | 73 Ų | 73 | 25% | 0.245 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -166.4 | 150.1 | 173.8 | 58.1 | 0 | 0 | 0 | 0 | 112.3 | F156 F165 Y169 H170 L171 | F156-S167 VanDerWaalsContact CD2-CA 3.49Å; F165-S167 PolarHBondContact O-N 3.13Å; S167-Y169 VanDerWaalsContact C-N 3.25Å; S167-Y169 PolarHBondContact O-N 3.45Å; S167-H170 PolarHBondContact O-N 3Å; S167-H170 PolarHBondContact OG-N 2.57Å; S167-H170 PolarHBondContact OG-ND1 3Å; S167-L171 PolarHBondContact O-N 2.99Å; S167-L171 VanDerWaalsContact O-N 3.12Å |
| 168 | S | 88.8 | Confident | 91.3 | Very high | 49 Ų | 49 | 73 Ų | 73 | 34% | 0.343 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.2 | -32.3 | 174.5 | 57.4 | 0 | 0 | 0 | 0 | 113.7 | F156 H170 L171 K172 | F156-S168 VanDerWaalsContact CD2-N 3.29Å; S168-H170 VanDerWaalsContact C-N 3.35Å; S168-L171 PolarHBondContact O-N 2.87Å; S168-K172 WeakPolarHBondContact O-CB 3.2Å; S168-K172 WeakPolarHBondContact O-CG 3.26Å; S168-K172 PolarHBondContact O-N 2.92Å |
| 169 | Y | 90.6 | Very high | 91.3 | Very high | 150 Ų | 150 | 76.3 Ų | 76.3 | 59% | 0.588 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63.1 | -40.2 | 173.5 | 174.5 | -98.9 | 0 | 0 | 0 | 112.3 | S167 R173 | S167-Y169 VanDerWaalsContact C-N 3.25Å; S167-Y169 PolarHBondContact O-N 3.45Å; Y169-R173 WeakPolarHBondContact O-CB 3.31Å; Y169-R173 PolarHBondContact O-N 2.89Å |
| 170 | H | 92.7 | Very high | 91.3 | Very high | 80 Ų | 80 | 74.2 Ų | 74.2 | 37% | 0.37 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69 | -41.7 | 177.2 | -79 | 68.9 | 0 | 0 | 0 | 111.3 | F165 S167 S168 R173 H174 | F165-H170 HydrophobicContact CB-CB 4.11Å; F165-H170 HydrophobicContact CD1-CB 4.05Å; F165-H170 HydrophobicContact CG-CB 4.44Å; S167-H170 PolarHBondContact O-N 3Å; S167-H170 PolarHBondContact OG-N 2.57Å; S167-H170 PolarHBondContact OG-ND1 3Å; S168-H170 VanDerWaalsContact C-N 3.35Å; H170-R173 PolarHBondContact CD2-NH2 3.11Å; H170-R173 PolarHBondContact NE2-NH2 3.38Å; H170-R173 VanDerWaalsContact NE2-NH2 3.18Å; H170-H174 WeakPolarHBondContact O-CB 3.47Å; H170-H174 PolarHBondContact O-N 3.02Å; H170-H174 VanDerWaalsContact O-N 3.1Å |
| 171 | L | 92.6 | Very high | 91.3 | Very high | 8 Ų | 8 | 71 Ų | 71 | 4% | 0.042 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.8 | -54.5 | 173.5 | 172.7 | 60.1 | 0 | 0 | 0 | 112 | F156 I157 C158 F165 S167 S168 R173 H174 I175 | F156-L171 HydrophobicContact CB-CB 4.04Å; F156-L171 HydrophobicContact CB-CD2 3.77Å; I157-L171 WeakPolarHBondContact O-CD2 3.39Å; C158-L171 HydrophobicContact CB-CD1 3.5Å; F165-L171 HydrophobicContact CB-CB 4.23Å; F165-L171 HydrophobicContact CD2-CB 4.15Å; F165-L171 HydrophobicContact CD2-CD1 3.92Å; F165-L171 HydrophobicContact CE2-CD1 4.2Å; F165-L171 HydrophobicContact CG-CB 4.31Å; S167-L171 PolarHBondContact O-N 2.99Å; S167-L171 VanDerWaalsContact O-N 3.12Å; S168-L171 PolarHBondContact O-N 2.87Å; L171-R173 VanDerWaalsContact C-N 3.25Å; L171-R173 PolarHBondContact O-N 3.21Å; L171-H174 CarbonylContact O-C 3.55Å; L171-H174 WeakPolarHBondContact O-CA 3.28Å; L171-H174 WeakPolarHBondContact O-CB 3.36Å; L171-H174 PolarHBondContact O-N 3.06Å; L171-I175 HydrophobicContact CD1-CD1 4Å; L171-I175 HydrophobicContact CD1-CG1 4.02Å; L171-I175 HydrophobicContact CG-CD1 3.94Å; L171-I175 HydrophobicContact CG-CG1 4.41Å; L171-I175 PolarHBondContact O-N 2.72Å |
| 172 | K | 91.2 | Very high | 91.3 | Very high | 89 Ų | 89 | 72.7 Ų | 72.7 | 39% | 0.387 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -52.2 | -44.3 | 179.9 | -80.3 | -172.5 | 171.6 | -163 | 0 | 112.5 | S168 H174 I175 | S168-K172 WeakPolarHBondContact O-CB 3.2Å; S168-K172 WeakPolarHBondContact O-CG 3.26Å; S168-K172 PolarHBondContact O-N 2.92Å; K172-H174 VanDerWaalsContact C-N 3.31Å; K172-H174 PolarHBondContact O-N 3.15Å; K172-I175 PolarHBondContact O-N 2.83Å |
| 173 | R | 92.3 | Very high | 91.3 | Very high | 66 Ų | 66 | 66.7 Ų | 66.7 | 25% | 0.249 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69.1 | -28.5 | 177.9 | -173.9 | -175.6 | 65.8 | -172.1 | -17.7 | 113.1 | Y169 H170 L171 I194 Q195 | Y169-R173 WeakPolarHBondContact O-CB 3.31Å; Y169-R173 PolarHBondContact O-N 2.89Å; H170-R173 PolarHBondContact CD2-NH2 3.11Å; H170-R173 PolarHBondContact NE2-NH2 3.38Å; H170-R173 VanDerWaalsContact NE2-NH2 3.18Å; L171-R173 VanDerWaalsContact C-N 3.25Å; L171-R173 PolarHBondContact O-N 3.21Å; R173-I194 HydrophobicContact CG-CG2 4.2Å; R173-Q195 HydrophobicContact CG-CG 4.36Å |
| 174 | H | 93.1 | Very high | 91.5 | Very high | 34 Ų | 34 | 69 Ų | 69 | 16% | 0.157 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -76.6 | -34.2 | 173.4 | 163.4 | 58.5 | 0 | 0 | 0 | 112.4 | C158 C161 F165 H170 L171 K172 L176 T177 H178 | C158-H174 PolarHBondContact SG-NE2 2.81Å; C158-H174 VanDerWaalsContact SG-NE2 3.43Å; C161-H174 PolarHBondContact SG-NE2 3.14Å; F165-H174 HydrophobicContact CE1-CB 3.94Å; F165-H174 HydrophobicContact CE2-CB 4.24Å; F165-H174 AromaticContact CE2-CD2 3.18Å; F165-H174 WeakPolarHBondContact CE2-CD2 3.38Å; F165-H174 AromaticContact CE2-CG 3.83Å; F165-H174 AromaticContact CE2-NE2 3.81Å; F165-H174 HydrophobicContact CZ-CB 3.69Å; F165-H174 AromaticContact CZ-CD2 3.15Å; F165-H174 WeakPolarHBondContact CZ-CD2 3.42Å; F165-H174 AromaticContact CZ-CG 3.32Å; F165-H174 AromaticContact CZ-NE2 3.73Å; H170-H174 WeakPolarHBondContact O-CB 3.47Å; H170-H174 PolarHBondContact O-N 3.02Å; H170-H174 VanDerWaalsContact O-N 3.1Å; L171-H174 CarbonylContact O-C 3.55Å; L171-H174 WeakPolarHBondContact O-CA 3.28Å; L171-H174 WeakPolarHBondContact O-CB 3.36Å; L171-H174 PolarHBondContact O-N 3.06Å; K172-H174 VanDerWaalsContact C-N 3.31Å; K172-H174 PolarHBondContact O-N 3.15Å; H174-L176 PolarHBondContact O-N 3.32Å; H174-T177 PolarHBondContact ND1-OG1 3.36Å; H174-T177 VanDerWaalsContact ND1-OG1 3.14Å; H174-T177 WeakPolarHBondContact O-CA 3.19Å; H174-T177 WeakPolarHBondContact O-CB 3.12Å; H174-T177 PolarHBondContact O-N 3.18Å; H174-T177 PolarHBondContact O-OG1 3.42Å; H174-H178 AromaticContact CE1-CE1 3.76Å; H174-H178 AromaticContact CE1-NE2 3.2Å; H174-H178 PolarHBondContact CE1-NE2 3.35Å; H174-H178 AromaticContact NE2-CD2 3.92Å; H174-H178 AromaticContact NE2-NE2 3.14Å; H174-H178 PolarHBondContact NE2-NE2 2.93Å; H174-H178 VanDerWaalsContact NE2-NE2 3.14Å |
| 175 | I | 92.8 | Very high | 91.7 | Very high | 42 Ų | 42 | 68.1 Ų | 68.1 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56.6 | -33.9 | 174.5 | -68.3 | 167.3 | 0 | 0 | 0 | 111.4 | L171 K172 T177 H178 T179 | L171-I175 HydrophobicContact CD1-CD1 4Å; L171-I175 HydrophobicContact CD1-CG1 4.02Å; L171-I175 HydrophobicContact CG-CD1 3.94Å; L171-I175 HydrophobicContact CG-CG1 4.41Å; L171-I175 PolarHBondContact O-N 2.72Å; K172-I175 PolarHBondContact O-N 2.83Å; I175-T177 PolarHBondContact O-N 3.41Å; I175-T177 VanDerWaalsContact O-N 3.09Å; I175-H178 WeakPolarHBondContact O-CA 3.24Å; I175-H178 WeakPolarHBondContact O-CB 3.41Å; I175-H178 PolarHBondContact O-N 3.23Å; I175-T179 HydrophobicContact CG2-CG2 4.21Å; I175-T179 PolarHBondContact O-N 2.82Å |
| 176 | L | 93.4 | Very high | 91.9 | Very high | 27 Ų | 27 | 66.4 Ų | 66.4 | 14% | 0.141 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -17.3 | 171.9 | -54.5 | 175.7 | 0 | 0 | 0 | 114.3 | H174 G180 E181 P183 I194 | H174-L176 PolarHBondContact O-N 3.32Å; L176-G180 PolarHBondContact O-N 2.9Å; L176-E181 HydrophobicContact CD2-CB 3.78Å; L176-E181 WeakPolarHBondContact CD2-OE2 3.43Å; L176-E181 PolarHBondContact O-N 3.38Å; L176-P183 HydrophobicContact CD1-CG 4.37Å; L176-I194 HydrophobicContact CB-CG1 4.44Å; L176-I194 HydrophobicContact CB-CG2 3.92Å; L176-I194 HydrophobicContact CD1-CG2 3.95Å |
| 177 | T | 93.1 | Very high | 92.2 | Very high | 79 Ų | 79 | 63.8 Ų | 63.8 | 49% | 0.485 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -20.3 | 171.4 | 67.6 | 0 | 0 | 0 | 0 | 113 | H174 I175 I194 | H174-T177 PolarHBondContact ND1-OG1 3.36Å; H174-T177 VanDerWaalsContact ND1-OG1 3.14Å; H174-T177 WeakPolarHBondContact O-CA 3.19Å; H174-T177 WeakPolarHBondContact O-CB 3.12Å; H174-T177 PolarHBondContact O-N 3.18Å; H174-T177 PolarHBondContact O-OG1 3.42Å; I175-T177 PolarHBondContact O-N 3.41Å; I175-T177 VanDerWaalsContact O-N 3.09Å; T177-I194 HydrophobicContact CG2-CD1 3.69Å |
| 178 | H | 91.5 | Very high | 92.4 | Very high | 69 Ų | 69 | 65.4 Ų | 65.4 | 32% | 0.319 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -43.2 | 174.5 | -60.1 | -52 | 0 | 0 | 0 | 111.9 | C158 H160 H174 I175 G180 | C158-H178 VanDerWaalsContact SG-CD2 3.56Å; C158-H178 PolarHBondContact SG-NE2 3.1Å; H160-H178 AromaticContact CD2-CE1 3.62Å; H160-H178 AromaticContact CD2-CG 3.67Å; H160-H178 AromaticContact CD2-ND1 3.36Å; H160-H178 PolarHBondContact CD2-ND1 3.42Å; H174-H178 AromaticContact CE1-CE1 3.76Å; H174-H178 AromaticContact CE1-NE2 3.2Å; H174-H178 PolarHBondContact CE1-NE2 3.35Å; H174-H178 AromaticContact NE2-CD2 3.92Å; H174-H178 AromaticContact NE2-NE2 3.14Å; H174-H178 PolarHBondContact NE2-NE2 2.93Å; H174-H178 VanDerWaalsContact NE2-NE2 3.14Å; I175-H178 WeakPolarHBondContact O-CA 3.24Å; I175-H178 WeakPolarHBondContact O-CB 3.41Å; I175-H178 PolarHBondContact O-N 3.23Å; H178-G180 PolarHBondContact O-N 3.07Å |
| 179 | T | 90.8 | Very high | 92.7 | Very high | 74 Ų | 74 | 64.8 Ų | 64.8 | 45% | 0.454 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -73.9 | -14.3 | 175.4 | 66.5 | 0 | 0 | 0 | 0 | 113 | I175 E181 | I175-T179 HydrophobicContact CG2-CG2 4.21Å; I175-T179 PolarHBondContact O-N 2.82Å; T179-E181 WeakPolarHBondContact CB-OE1 3.47Å; T179-E181 PolarHBondContact O-N 3.17Å; T179-E181 WeakPolarHBondContact OG1-CB 3.36Å; T179-E181 VanDerWaalsContact OG1-CD 3.25Å; T179-E181 WeakPolarHBondContact OG1-CG 3.35Å; T179-E181 PolarHBondContact OG1-OE1 2.85Å |
| 180 | G | 89.4 | Confident | 92.9 | Very high | 40 Ų | 40 | 65.5 Ų | 65.5 | 41% | 0.412 | 36% | 0.36 | S | S | . | . | trans | 73.6 | -1.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L176 H178 K182 | L176-G180 PolarHBondContact O-N 2.9Å; H178-G180 PolarHBondContact O-N 3.07Å; G180-K182 PolarHBondContact O-N 2.83Å | ||
| 181 | E | 91.4 | Very high | 93 | Very high | 75 Ų | 75 | 66.4 Ų | 66.4 | 35% | 0.35 | 37% | 0.365 | S | S | . | . | trans | -56 | 130.7 | -179.9 | -79.5 | 167 | -111.6 | 0 | 0 | 112.5 | L176 T179 I194 | L176-E181 HydrophobicContact CD2-CB 3.78Å; L176-E181 WeakPolarHBondContact CD2-OE2 3.43Å; L176-E181 PolarHBondContact O-N 3.38Å; T179-E181 WeakPolarHBondContact CB-OE1 3.47Å; T179-E181 PolarHBondContact O-N 3.17Å; T179-E181 WeakPolarHBondContact OG1-CB 3.36Å; T179-E181 VanDerWaalsContact OG1-CD 3.25Å; T179-E181 WeakPolarHBondContact OG1-CG 3.35Å; T179-E181 PolarHBondContact OG1-OE1 2.85Å; E181-I194 WeakPolarHBondContact O-CG1 3.45Å | ||
| 182 | K | 92.3 | Very high | 93.2 | Very high | 97 Ų | 97 | 72.8 Ų | 72.8 | 42% | 0.422 | 39% | 0.389 | S | S | . | . | trans | -128.3 | 88.2 | 179.7 | -71.4 | 150.3 | -174.2 | 170.1 | 0 | 109.1 | G180 Y184 R192 F193 I194 | G180-K182 PolarHBondContact O-N 2.83Å; K182-Y184 PolarHBondContact O-N 3.25Å; K182-R192 HydrophobicContact CB-CB 3.44Å; K182-R192 VanDerWaalsContact CB-CB 3.44Å; K182-R192 HydrophobicContact CD-CB 4.23Å; K182-R192 HydrophobicContact CG-CB 4.35Å; K182-R192 PolarHBondContact O-NE 2.8Å; K182-R192 PolarHBondContact O-NH2 3.27Å; K182-F193 CarbonylContact C-O 3.59Å; K182-F193 WeakPolarHBondContact CA-O 3.34Å; K182-I194 HydrophobicContact CG-CG1 4.05Å | ||
| 183 | P | 91.6 | Very high | 93.3 | Very high | 54 Ų | 54 | 70.1 Ų | 70.1 | 35% | 0.351 | 38% | 0.377 | S | S | . | . | trans | -67.7 | -18.2 | -174.2 | -23.6 | 35.4 | 0 | 0 | 0 | 114.8 | L176 | L176-P183 HydrophobicContact CD1-CG 4.37Š| ||
| 184 | Y | 94.9 | Very high | 93.3 | Very high | 73 Ų | 73 | 68.8 Ų | 68.8 | 29% | 0.286 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 90.7 | -174.1 | -57.5 | -82.9 | 0 | 0 | 0 | 110.7 | K182 R192 F193 I194 R196 | K182-Y184 PolarHBondContact O-N 3.25Å; Y184-R192 CarbonylContact O-C 3.57Å; Y184-R192 WeakPolarHBondContact O-CA 3.39Å; Y184-F193 WeakPolarHBondContact CB-O 3.37Å; Y184-F193 WeakPolarHBondContact CD2-O 3.39Å; Y184-F193 PolarHBondContact N-O 3.01Å; Y184-F193 PolarHBondContact O-N 3.27Å; Y184-I194 WeakPolarHBondContact CD2-O 3.46Å; Y184-I194 WeakPolarHBondContact CE2-O 3.37Å; Y184-R196 HydrophobicContact CD1-CB 3.94Å; Y184-R196 HydrophobicContact CD1-CG 4.13Å; Y184-R196 HydrophobicContact CE1-CB 3.73Å; Y184-R196 HydrophobicContact CE1-CG 4.11Å |
| 185 | A | 94.4 | Very high | 93.3 | Very high | 48 Ų | 48 | 68.5 Ų | 68.5 | 40% | 0.397 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 157.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R192 L199 | A185-R192 HydrophobicContact CB-CG 4.01Å; A185-L199 WeakPolarHBondContact O-CD1 3.46Å; A185-L199 WeakPolarHBondContact O-CD2 3.44Å |
| 186 | C | 94.1 | Very high | 93.4 | Very high | 13 Ų | 13 | 71 Ų | 71 | 9% | 0.088 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 140.1 | 166.5 | -161.8 | 0 | 0 | 0 | 0 | 110.4 | A188 C189 M191 L199 H202 H206 | C186-A188 PolarHBondContact O-N 3.02Å; C186-C189 WeakPolarHBondContact CB-O 3.16Å; C186-M191 WeakPolarHBondContact CB-O 3.38Å; C186-M191 PolarHBondContact N-O 3.29Å; C186-L199 HydrophobicContact CB-CD1 3.69Å; C186-H202 VanDerWaalsContact SG-CD2 3.58Å; C186-H206 PolarHBondContact SG-NE2 2.63Å |
| 187 | D | 95.7 | Very high | 93.4 | Very high | 138 Ų | 138 | 75.9 Ų | 75.9 | 74% | 0.738 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 3.3 | -177.6 | -29.8 | -84.6 | 0 | 0 | 0 | 112.7 | K203 | D187-K203 WeakPolarHBondContact OD2-CE 3.28Å; D187-K203 IonicContact OD2-NZ 3.58Å; D187-K203 PolarHBondContact OD2-NZ 2.95Å |
| 188 | A | 94.2 | Very high | 93.4 | Very high | 68 Ų | 68 | 74.1 Ų | 74.1 | 56% | 0.562 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.7 | -3.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | C186 | C186-A188 PolarHBondContact O-N 3.02Š|
| 189 | C | 95 | Very high | 93.7 | Very high | 37 Ų | 37 | 71.5 Ų | 71.5 | 25% | 0.25 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.9 | 164.3 | 169.6 | 63.7 | 0 | 0 | 0 | 0 | 110.1 | C186 M191 H202 H206 | C186-C189 WeakPolarHBondContact CB-O 3.16Å; C189-M191 PolarHBondContact O-N 3.05Å; C189-H202 PolarHBondContact SG-NE2 3.19Å; C189-H202 VanDerWaalsContact SG-NE2 3.39Å; C189-H206 WeakPolarHBondContact CB-CE1 3.4Å; C189-H206 PolarHBondContact SG-CE1 3.14Å; C189-H206 PolarHBondContact SG-NE2 3.44Å |
| 190 | D | 94.8 | Very high | 93.8 | Very high | 164 Ų | 164 | 71.2 Ų | 71.2 | 88% | 0.877 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 8.9 | -174.2 | -49 | -76 | 0 | 0 | 0 | 115.5 | R192 | D190-R192 PolarHBondContact O-N 3.46Å |
| 191 | M | 94.7 | Very high | 94 | Very high | 99 Ų | 99 | 73.5 Ų | 73.5 | 49% | 0.488 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 114.1 | 179.1 | -73.4 | -62.5 | -63.7 | 0 | 0 | 111.6 | C186 C189 F193 | C186-M191 WeakPolarHBondContact CB-O 3.38Å; C186-M191 PolarHBondContact N-O 3.29Å; C189-M191 PolarHBondContact O-N 3.05Å; M191-F193 HydrophobicContact CB-CE2 3.9Å; M191-F193 HydrophobicContact CB-CZ 3.92Å; M191-F193 HydrophobicContact CE-CE1 4.34Å; M191-F193 HydrophobicContact CE-CZ 4.1Å; M191-F193 WeakPolarHBondContact O-CE2 3.48Å |
| 192 | R | 95.8 | Very high | 94.1 | Very high | 143 Ų | 143 | 71.2 Ų | 71.2 | 54% | 0.54 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 144.9 | 178.3 | -56 | 176.6 | 60 | 167 | -0.5 | 112 | K182 Y184 A185 D190 | K182-R192 HydrophobicContact CB-CB 3.44Å; K182-R192 VanDerWaalsContact CB-CB 3.44Å; K182-R192 HydrophobicContact CD-CB 4.23Å; K182-R192 HydrophobicContact CG-CB 4.35Å; K182-R192 PolarHBondContact O-NE 2.8Å; K182-R192 PolarHBondContact O-NH2 3.27Å; Y184-R192 CarbonylContact O-C 3.57Å; Y184-R192 WeakPolarHBondContact O-CA 3.39Å; A185-R192 HydrophobicContact CB-CG 4.01Å; D190-R192 PolarHBondContact O-N 3.46Å |
| 193 | F | 94.1 | Very high | 94.2 | Very high | 33 Ų | 33 | 70.3 Ų | 70.3 | 15% | 0.145 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 152.4 | -174.9 | -56.3 | -85.5 | 0 | 0 | 0 | 113 | K182 Y184 M191 H198 L199 H202 | K182-F193 CarbonylContact C-O 3.59Å; K182-F193 WeakPolarHBondContact CA-O 3.34Å; Y184-F193 WeakPolarHBondContact CB-O 3.37Å; Y184-F193 WeakPolarHBondContact CD2-O 3.39Å; Y184-F193 PolarHBondContact N-O 3.01Å; Y184-F193 PolarHBondContact O-N 3.27Å; M191-F193 HydrophobicContact CB-CE2 3.9Å; M191-F193 HydrophobicContact CB-CZ 3.92Å; M191-F193 HydrophobicContact CE-CE1 4.34Å; M191-F193 HydrophobicContact CE-CZ 4.1Å; M191-F193 WeakPolarHBondContact O-CE2 3.48Å; F193-H198 HydrophobicContact CB-CB 4.04Å; F193-H198 HydrophobicContact CD1-CB 3.73Å; F193-H198 HydrophobicContact CG-CB 4.05Å; F193-L199 HydrophobicContact CB-CB 4.49Å; F193-L199 HydrophobicContact CD2-CB 3.81Å; F193-L199 HydrophobicContact CD2-CD1 4.06Å; F193-L199 HydrophobicContact CE2-CD1 4.15Å; F193-L199 HydrophobicContact CG-CB 4.34Å; F193-H202 HydrophobicContact CE1-CB 4.17Å; F193-H202 HydrophobicContact CE2-CB 3.85Å; F193-H202 AromaticContact CE2-CD2 3.43Å; F193-H202 VanDerWaalsContact CE2-CD2 3.43Å; F193-H202 WeakPolarHBondContact CE2-CD2 3.49Å; F193-H202 AromaticContact CE2-CG 3.7Å; F193-H202 HydrophobicContact CZ-CB 3.48Å; F193-H202 VanDerWaalsContact CZ-CB 3.48Å; F193-H202 AromaticContact CZ-CD2 3.55Å; F193-H202 AromaticContact CZ-CG 3.35Å; F193-H202 AromaticContact CZ-ND1 3.94Å |
| 194 | I | 92.8 | Very high | 94.3 | Very high | 38 Ų | 38 | 70.4 Ų | 70.4 | 20% | 0.195 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -76 | -23.3 | 174.1 | -65.5 | 173.6 | 0 | 0 | 0 | 111.9 | R173 L176 T177 E181 K182 Y184 | R173-I194 HydrophobicContact CG-CG2 4.2Å; L176-I194 HydrophobicContact CB-CG1 4.44Å; L176-I194 HydrophobicContact CB-CG2 3.92Å; L176-I194 HydrophobicContact CD1-CG2 3.95Å; T177-I194 HydrophobicContact CG2-CD1 3.69Å; E181-I194 WeakPolarHBondContact O-CG1 3.45Å; K182-I194 HydrophobicContact CG-CG1 4.05Å; Y184-I194 WeakPolarHBondContact CD2-O 3.46Å; Y184-I194 WeakPolarHBondContact CE2-O 3.37Å |
| 195 | Q | 93.6 | Very high | 94.2 | Very high | 28 Ų | 28 | 72.1 Ų | 72.1 | 13% | 0.131 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -135.6 | 139.1 | -175.4 | -52.4 | -168.9 | 81.5 | 0 | 0 | 112.3 | R173 Y197 H198 L199 | R173-Q195 HydrophobicContact CG-CG 4.36Å; Q195-Y197 VanDerWaalsContact C-N 3.34Å; Q195-Y197 HydrophobicContact CB-CD1 4.07Å; Q195-Y197 HydrophobicContact CB-CE1 4.03Å; Q195-Y197 VanDerWaalsContact CD-CE1 3.43Å; Q195-Y197 HydrophobicContact CG-CE1 4.37Å; Q195-Y197 PolarHBondContact NE2-OH 3.19Å; Q195-Y197 PolarHBondContact O-N 3.39Å; Q195-Y197 VanDerWaalsContact OE1-CE1 3.25Å; Q195-H198 PolarHBondContact NE2-NE2 2.84Å; Q195-H198 WeakPolarHBondContact O-CB 3.31Å; Q195-H198 PolarHBondContact O-N 2.82Å; Q195-L199 PolarHBondContact O-N 3.01Å |
| 196 | R | 93.6 | Very high | 94.2 | Very high | 95 Ų | 95 | 74.7 Ų | 74.7 | 36% | 0.358 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -52 | -46 | 178.6 | -161 | -150.1 | 178.3 | 97.8 | 5.5 | 113.6 | S127 Y184 H198 L199 D200 | S127-R196 PolarHBondContact O-NH1 3.05Å; Y184-R196 HydrophobicContact CD1-CB 3.94Å; Y184-R196 HydrophobicContact CD1-CG 4.13Å; Y184-R196 HydrophobicContact CE1-CB 3.73Å; Y184-R196 HydrophobicContact CE1-CG 4.11Å; R196-H198 PolarHBondContact O-N 3.29Å; R196-L199 CarbonylContact O-C 3.54Å; R196-L199 WeakPolarHBondContact O-CA 3.47Å; R196-L199 WeakPolarHBondContact O-CB 3.34Å; R196-L199 PolarHBondContact O-N 3.28Å; R196-D200 VanDerWaalsContact CD-OD2 3.25Å; R196-D200 WeakPolarHBondContact CD-OD2 3.49Å; R196-D200 WeakPolarHBondContact CG-OD2 3.41Å; R196-D200 IonicContact NE-OD1 3.11Å; R196-D200 IonicContact NE-OD2 3.41Å; R196-D200 PolarHBondContact NE-OD2 3.06Å; R196-D200 PolarHBondContact O-N 3.48Å |
| 197 | Y | 92.8 | Very high | 94.1 | Very high | 128 Ų | 128 | 77.5 Ų | 77.5 | 50% | 0.502 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.5 | -20 | -178.2 | 78.4 | -99.2 | 0 | 0 | 0 | 113.6 | Q195 R201 | Q195-Y197 VanDerWaalsContact C-N 3.34Å; Q195-Y197 HydrophobicContact CB-CD1 4.07Å; Q195-Y197 HydrophobicContact CB-CE1 4.03Å; Q195-Y197 VanDerWaalsContact CD-CE1 3.43Å; Q195-Y197 HydrophobicContact CG-CE1 4.37Å; Q195-Y197 PolarHBondContact NE2-OH 3.19Å; Q195-Y197 PolarHBondContact O-N 3.39Å; Q195-Y197 VanDerWaalsContact OE1-CE1 3.25Å; Y197-R201 WeakPolarHBondContact O-CB 3.26Å; Y197-R201 PolarHBondContact O-N 3.24Å; Y197-R201 VanDerWaalsContact O-N 3.11Å |
| 198 | H | 94.8 | Very high | 93.9 | Very high | 43 Ų | 43 | 73.3 Ų | 73.3 | 20% | 0.199 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -72.7 | -41.3 | 170.3 | -67.1 | -42.9 | 0 | 0 | 0 | 110.9 | F193 Q195 R196 R201 H202 | F193-H198 HydrophobicContact CB-CB 4.04Å; F193-H198 HydrophobicContact CD1-CB 3.73Å; F193-H198 HydrophobicContact CG-CB 4.05Å; Q195-H198 PolarHBondContact NE2-NE2 2.84Å; Q195-H198 WeakPolarHBondContact O-CB 3.31Å; Q195-H198 PolarHBondContact O-N 2.82Å; R196-H198 PolarHBondContact O-N 3.29Å; H198-R201 PolarHBondContact ND1-NH2 3.37Å; H198-H202 VanDerWaalsContact O-CB 3.28Å; H198-H202 WeakPolarHBondContact O-CB 3.31Å; H198-H202 PolarHBondContact O-N 3.06Å |
| 199 | L | 96.1 | Very high | 93.8 | Very high | 14 Ų | 14 | 75 Ų | 75 | 7% | 0.073 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.8 | -52.3 | 171.4 | 170.3 | 63.1 | 0 | 0 | 0 | 111.5 | A185 C186 F193 Q195 R196 R201 H202 K203 | A185-L199 WeakPolarHBondContact O-CD1 3.46Å; A185-L199 WeakPolarHBondContact O-CD2 3.44Å; C186-L199 HydrophobicContact CB-CD1 3.69Å; F193-L199 HydrophobicContact CB-CB 4.49Å; F193-L199 HydrophobicContact CD2-CB 3.81Å; F193-L199 HydrophobicContact CD2-CD1 4.06Å; F193-L199 HydrophobicContact CE2-CD1 4.15Å; F193-L199 HydrophobicContact CG-CB 4.34Å; Q195-L199 PolarHBondContact O-N 3.01Å; R196-L199 CarbonylContact O-C 3.54Å; R196-L199 WeakPolarHBondContact O-CA 3.47Å; R196-L199 WeakPolarHBondContact O-CB 3.34Å; R196-L199 PolarHBondContact O-N 3.28Å; L199-R201 PolarHBondContact O-N 3.49Å; L199-H202 CarbonylContact O-C 3.35Å; L199-H202 WeakPolarHBondContact O-CA 3.4Å; L199-H202 WeakPolarHBondContact O-CB 3.44Å; L199-H202 PolarHBondContact O-N 2.8Å; L199-K203 HydrophobicContact CD1-CD 4.5Å; L199-K203 HydrophobicContact CD1-CG 4.17Å; L199-K203 PolarHBondContact O-N 3.48Å |
| 200 | D | 93.2 | Very high | 93.6 | Very high | 68 Ų | 68 | 77 Ų | 77 | 36% | 0.364 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.8 | -34.7 | -179.6 | -61.1 | -39.4 | 0 | 0 | 0 | 111.3 | R196 | R196-D200 VanDerWaalsContact CD-OD2 3.25Å; R196-D200 WeakPolarHBondContact CD-OD2 3.49Å; R196-D200 WeakPolarHBondContact CG-OD2 3.41Å; R196-D200 IonicContact NE-OD1 3.11Å; R196-D200 IonicContact NE-OD2 3.41Å; R196-D200 PolarHBondContact NE-OD2 3.06Å; R196-D200 PolarHBondContact O-N 3.48Å |
| 201 | R | 93.4 | Very high | 93.5 | Very high | 88 Ų | 88 | 72.2 Ų | 72.2 | 33% | 0.332 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -72.5 | -36.4 | 171.7 | -177.5 | -174.2 | 68.3 | 179.5 | -0.5 | 112.9 | Y197 H198 L199 R204 R223 | Y197-R201 WeakPolarHBondContact O-CB 3.26Å; Y197-R201 PolarHBondContact O-N 3.24Å; Y197-R201 VanDerWaalsContact O-N 3.11Å; H198-R201 PolarHBondContact ND1-NH2 3.37Å; L199-R201 PolarHBondContact O-N 3.49Å; R201-R204 WeakPolarHBondContact O-CB 3.25Å; R201-R204 PolarHBondContact O-N 3.03Å; R201-R223 HydrophobicContact CG-CG 4.17Å |
| 202 | H | 94.7 | Very high | 93.4 | Very high | 27 Ų | 27 | 69.1 Ų | 69.1 | 13% | 0.125 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70.3 | -34.1 | 177.9 | 166.3 | 67.3 | 0 | 0 | 0 | 112.1 | C186 C189 F193 H198 L199 R204 V205 H206 | C186-H202 VanDerWaalsContact SG-CD2 3.58Å; C189-H202 PolarHBondContact SG-NE2 3.19Å; C189-H202 VanDerWaalsContact SG-NE2 3.39Å; F193-H202 HydrophobicContact CE1-CB 4.17Å; F193-H202 HydrophobicContact CE2-CB 3.85Å; F193-H202 AromaticContact CE2-CD2 3.43Å; F193-H202 VanDerWaalsContact CE2-CD2 3.43Å; F193-H202 WeakPolarHBondContact CE2-CD2 3.49Å; F193-H202 AromaticContact CE2-CG 3.7Å; F193-H202 HydrophobicContact CZ-CB 3.48Å; F193-H202 VanDerWaalsContact CZ-CB 3.48Å; F193-H202 AromaticContact CZ-CD2 3.55Å; F193-H202 AromaticContact CZ-CG 3.35Å; F193-H202 AromaticContact CZ-ND1 3.94Å; H198-H202 VanDerWaalsContact O-CB 3.28Å; H198-H202 WeakPolarHBondContact O-CB 3.31Å; H198-H202 PolarHBondContact O-N 3.06Å; L199-H202 CarbonylContact O-C 3.35Å; L199-H202 WeakPolarHBondContact O-CA 3.4Å; L199-H202 WeakPolarHBondContact O-CB 3.44Å; L199-H202 PolarHBondContact O-N 2.8Å; H202-R204 PolarHBondContact O-N 2.98Å; H202-R204 VanDerWaalsContact O-N 3.07Å; H202-V205 VanDerWaalsContact O-CB 3.25Å; H202-V205 WeakPolarHBondContact O-CB 3.44Å; H202-V205 WeakPolarHBondContact O-CG2 3.33Å; H202-V205 PolarHBondContact O-N 2.64Å; H202-H206 AromaticContact CD2-NE2 3.47Å; H202-H206 PolarHBondContact CD2-NE2 3.21Å; H202-H206 AromaticContact CE1-NE2 3.19Å; H202-H206 PolarHBondContact CE1-NE2 3.18Å; H202-H206 AromaticContact NE2-NE2 2.52Å; H202-H206 PolarHBondContact NE2-NE2 2.87Å |
| 203 | K | 94.3 | Very high | 93.3 | Very high | 77 Ų | 77 | 67 Ų | 67 | 34% | 0.335 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -56.9 | -24.7 | 174.6 | -72.7 | -173.3 | 174.3 | -167.1 | 0 | 113.7 | D187 L199 V205 H206 S207 | D187-K203 WeakPolarHBondContact OD2-CE 3.28Å; D187-K203 IonicContact OD2-NZ 3.58Å; D187-K203 PolarHBondContact OD2-NZ 2.95Å; L199-K203 HydrophobicContact CD1-CD 4.5Å; L199-K203 HydrophobicContact CD1-CG 4.17Å; L199-K203 PolarHBondContact O-N 3.48Å; K203-V205 PolarHBondContact O-N 3.21Å; K203-H206 PolarHBondContact O-N 2.81Å; K203-H206 VanDerWaalsContact O-N 3.16Å; K203-S207 PolarHBondContact O-N 3.37Å; K203-S207 PolarHBondContact O-OG 3.04Å |
| 204 | R | 93.6 | Very high | 93.2 | Very high | 57 Ų | 57 | 65.5 Ų | 65.5 | 22% | 0.215 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.2 | -14.5 | 171.8 | -57.4 | -172.9 | -178.1 | 154.6 | 3.6 | 115 | R201 H202 G208 E209 Y212 S222 | R201-R204 WeakPolarHBondContact O-CB 3.25Å; R201-R204 PolarHBondContact O-N 3.03Å; H202-R204 PolarHBondContact O-N 2.98Å; H202-R204 VanDerWaalsContact O-N 3.07Å; R204-G208 WeakPolarHBondContact O-CA 3.35Å; R204-G208 PolarHBondContact O-N 2.89Å; R204-G208 VanDerWaalsContact O-N 3.12Å; R204-E209 HydrophobicContact CB-CB 4.12Å; R204-E209 HydrophobicContact CG-CB 3.99Å; R204-E209 IonicContact NE-OE2 2.57Å; R204-E209 PolarHBondContact O-N 3.09Å; R204-Y212 VanDerWaalsContact NH1-CE2 3.33Å; R204-Y212 PolarHBondContact NH1-OH 3.38Å; R204-Y212 VanDerWaalsContact NH1-OH 3.15Å; R204-S222 PolarHBondContact NH1-O 3.08Å |
| 205 | V | 93.4 | Very high | 93.1 | Very high | 108 Ų | 108 | 67.7 Ų | 67.7 | 66% | 0.655 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -71.1 | -42 | 170.1 | -178.2 | 0 | 0 | 0 | 0 | 109.3 | H202 K203 | H202-V205 VanDerWaalsContact O-CB 3.25Å; H202-V205 WeakPolarHBondContact O-CB 3.44Å; H202-V205 WeakPolarHBondContact O-CG2 3.33Å; H202-V205 PolarHBondContact O-N 2.64Å; K203-V205 PolarHBondContact O-N 3.21Å |
| 206 | H | 92.9 | Very high | 92.8 | Very high | 102 Ų | 102 | 73 Ų | 73 | 47% | 0.472 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -73.7 | -40 | 177.6 | -58.7 | -61.3 | 0 | 0 | 0 | 112.9 | C186 C189 H202 K203 | C186-H206 PolarHBondContact SG-NE2 2.63Å; C189-H206 WeakPolarHBondContact CB-CE1 3.4Å; C189-H206 PolarHBondContact SG-CE1 3.14Å; C189-H206 PolarHBondContact SG-NE2 3.44Å; H202-H206 AromaticContact CD2-NE2 3.47Å; H202-H206 PolarHBondContact CD2-NE2 3.21Å; H202-H206 AromaticContact CE1-NE2 3.19Å; H202-H206 PolarHBondContact CE1-NE2 3.18Å; H202-H206 AromaticContact NE2-NE2 2.52Å; H202-H206 PolarHBondContact NE2-NE2 2.87Å; K203-H206 PolarHBondContact O-N 2.81Å; K203-H206 VanDerWaalsContact O-N 3.16Å |
| 207 | S | 92.3 | Very high | 92.7 | Very high | 72 Ų | 72 | 68.8 Ų | 68.8 | 50% | 0.503 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -87.2 | -3.7 | 179.8 | 67.1 | 0 | 0 | 0 | 0 | 115.1 | K203 E209 | K203-S207 PolarHBondContact O-N 3.37Å; K203-S207 PolarHBondContact O-OG 3.04Å; S207-E209 PolarHBondContact O-N 3.09Å; S207-E209 VanDerWaalsContact O-N 3.08Å; S207-E209 WeakPolarHBondContact OG-CG 3.17Å |
| 208 | G | 91.4 | Very high | 92.6 | Very high | 50 Ų | 50 | 68.5 Ų | 68.5 | 52% | 0.515 | 34% | 0.344 | S | S | . | . | trans | 64 | 7.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | R204 K210 | R204-G208 WeakPolarHBondContact O-CA 3.35Å; R204-G208 PolarHBondContact O-N 2.89Å; R204-G208 VanDerWaalsContact O-N 3.12Å; G208-K210 PolarHBondContact O-N 3.36Å | ||
| 209 | E | 91.5 | Very high | 92.4 | Very high | 104 Ų | 104 | 69.2 Ų | 69.2 | 49% | 0.486 | 35% | 0.347 | S | S | . | . | trans | -60.5 | 117.3 | -173.1 | -86.5 | -176.1 | -171.8 | 0 | 0 | 113.2 | R204 S207 P211 S222 | R204-E209 HydrophobicContact CB-CB 4.12Å; R204-E209 HydrophobicContact CG-CB 3.99Å; R204-E209 IonicContact NE-OE2 2.57Å; R204-E209 PolarHBondContact O-N 3.09Å; S207-E209 PolarHBondContact O-N 3.09Å; S207-E209 VanDerWaalsContact O-N 3.08Å; S207-E209 WeakPolarHBondContact OG-CG 3.17Å; E209-P211 WeakPolarHBondContact O-CD 3.36Å; E209-S222 WeakPolarHBondContact O-CA 3.49Å; E209-S222 VanDerWaalsContact O-CB 3.28Å; E209-S222 WeakPolarHBondContact O-CB 3.37Å | ||
| 210 | K | 92.8 | Very high | 92.2 | Very high | 80 Ų | 80 | 71.9 Ų | 71.9 | 35% | 0.348 | 36% | 0.361 | S | S | . | . | trans | -111.8 | 64.6 | 174.6 | -61.4 | 176.4 | -170.6 | -177.8 | 0 | 112 | G208 Y212 N220 F221 N243 | G208-K210 PolarHBondContact O-N 3.36Å; K210-Y212 VanDerWaalsContact C-N 3.3Å; K210-Y212 PolarHBondContact O-N 3.48Å; K210-N220 HydrophobicContact CB-CB 3.7Å; K210-N220 HydrophobicContact CD-CB 4.35Å; K210-F221 CarbonylContact C-O 3.57Å; K210-F221 WeakPolarHBondContact CA-O 3.35Å; K210-N243 PolarHBondContact NZ-OD1 2.88Å | ||
| 211 | P | 91.6 | Very high | 92.1 | Very high | 63 Ų | 63 | 70.1 Ų | 70.1 | 41% | 0.409 | 35% | 0.35 | S | S | . | . | trans | -79.3 | 4.3 | -166 | 34.6 | -38.9 | 0 | 0 | 0 | 116.1 | E209 | E209-P211 WeakPolarHBondContact O-CD 3.36Š| ||
| 212 | Y | 93.4 | Very high | 92 | Very high | 33 Ų | 33 | 68.3 Ų | 68.3 | 13% | 0.129 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 107.8 | 177.2 | -46.9 | -77.3 | 0 | 0 | 0 | 110.3 | R204 K210 F221 R223 T224 | R204-Y212 VanDerWaalsContact NH1-CE2 3.33Å; R204-Y212 PolarHBondContact NH1-OH 3.38Å; R204-Y212 VanDerWaalsContact NH1-OH 3.15Å; K210-Y212 VanDerWaalsContact C-N 3.3Å; K210-Y212 PolarHBondContact O-N 3.48Å; Y212-F221 WeakPolarHBondContact CD2-O 3.18Å; Y212-F221 PolarHBondContact N-O 3.17Å; Y212-F221 PolarHBondContact O-N 3.1Å; Y212-R223 VanDerWaalsContact CD2-C 3.43Å; Y212-T224 VanDerWaalsContact CE1-OG1 3.31Å; Y212-T224 WeakPolarHBondContact CE1-OG1 3.46Å; Y212-T224 VanDerWaalsContact CZ-OG1 3.27Å |
| 213 | Q | 93.4 | Very high | 91.9 | Very high | 100 Ų | 100 | 70.3 Ų | 70.3 | 47% | 0.467 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 147.7 | 179.1 | -161.9 | 171 | 32.7 | 0 | 0 | 111.8 | H218 Q219 N220 L227 | Q213-H218 WeakPolarHBondContact CG-O 3.47Å; Q213-H218 PolarHBondContact NE2-O 3.2Å; Q213-Q219 CarbonylContact C-O 3.12Å; Q213-Q219 WeakPolarHBondContact CA-O 3.49Å; Q213-N220 VanDerWaalsContact CB-OD1 3.26Å; Q213-N220 WeakPolarHBondContact CB-OD1 3.37Å; Q213-N220 VanDerWaalsContact CG-OD1 3.31Å; Q213-N220 WeakPolarHBondContact CG-OD1 3.15Å; Q213-L227 WeakPolarHBondContact O-CD2 3.18Å |
| 214 | C | 92 | Very high | 91.8 | Very high | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.007 | 36% | 0.355 | C | S | . | . | trans | -81.9 | 131.9 | 165.8 | -168.5 | 0 | 0 | 0 | 0 | 111.4 | R216 C217 H218 Q219 F221 L227 | C214-R216 VanDerWaalsContact C-N 3.33Å; C214-R216 PolarHBondContact O-N 3.21Å; C214-C217 VanDerWaalsContact CB-SG 3.58Å; C214-H218 VanDerWaalsContact O-CA 3.24Å; C214-H218 WeakPolarHBondContact O-CA 3.48Å; C214-H218 PolarHBondContact O-N 3.14Å; C214-Q219 PolarHBondContact N-O 3.36Å; C214-F221 HydrophobicContact CB-CE2 4.31Å; C214-L227 HydrophobicContact CB-CD1 3.56Å | ||
| 215 | D | 89.9 | Confident | 91.7 | Very high | 83 Ų | 83 | 69.5 Ų | 69.5 | 44% | 0.444 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -36.5 | 171.2 | 40.7 | 10.5 | 0 | 0 | 0 | 114 | R231 | D215-R231 VanDerWaalsContact OD1-CD 3.31Å; D215-R231 WeakPolarHBondContact OD1-CD 3.47Å; D215-R231 IonicContact OD2-NH1 3.07Å; D215-R231 PolarHBondContact OD2-NH1 2.97Å |
| 216 | R | 88.2 | Confident | 91.7 | Very high | 140 Ų | 140 | 69.7 Ų | 69.7 | 53% | 0.528 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -30.4 | -172.6 | -65.6 | -179.9 | 176.7 | -173.7 | -3.1 | 116.2 | C214 C234 | C214-R216 VanDerWaalsContact C-N 3.33Å; C214-R216 PolarHBondContact O-N 3.21Å; R216-C234 WeakPolarHBondContact CD-O 3.33Å; R216-C234 PolarHBondContact NH1-O 3.28Å |
| 217 | C | 91.1 | Very high | 91.7 | Very high | 6 Ų | 6 | 65 Ų | 65 | 4% | 0.041 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -134 | -3 | -169.3 | 72.9 | 0 | 0 | 0 | 0 | 113.5 | C214 Q219 H230 S239 | C214-C217 VanDerWaalsContact CB-SG 3.58Å; C217-Q219 PolarHBondContact O-N 3.18Å; C217-Q219 VanDerWaalsContact SG-CB 3.58Å; C217-Q219 PolarHBondContact SG-N 3.2Å; C217-H230 PolarHBondContact SG-NE2 3.1Å; C217-S239 WeakPolarHBondContact O-CB 3.47Å; C217-S239 PolarHBondContact O-OG 3.47Å |
| 218 | H | 90.3 | Very high | 91.7 | Very high | 123 Ų | 123 | 64.9 Ų | 64.9 | 57% | 0.569 | 32% | 0.324 | S | S | * | . | trans | 60.9 | 7.8 | -179.4 | -53.1 | -50.8 | 0 | 0 | 0 | 116.3 | Q213 C214 N220 | Q213-H218 WeakPolarHBondContact CG-O 3.47Å; Q213-H218 PolarHBondContact NE2-O 3.2Å; C214-H218 VanDerWaalsContact O-CA 3.24Å; C214-H218 WeakPolarHBondContact O-CA 3.48Å; C214-H218 PolarHBondContact O-N 3.14Å; H218-N220 PolarHBondContact O-ND2 3.43Å | ||
| 219 | Q | 90.4 | Very high | 91.7 | Very high | 58 Ų | 58 | 69.8 Ų | 69.8 | 27% | 0.271 | 33% | 0.327 | S | S | . | . | trans | -64.4 | 139.5 | 172.2 | -163.8 | 177.1 | 35.5 | 0 | 0 | 110.9 | Q213 C214 C217 F221 H230 | Q213-Q219 CarbonylContact C-O 3.12Å; Q213-Q219 WeakPolarHBondContact CA-O 3.49Å; C214-Q219 PolarHBondContact N-O 3.36Å; C217-Q219 PolarHBondContact O-N 3.18Å; C217-Q219 VanDerWaalsContact SG-CB 3.58Å; C217-Q219 PolarHBondContact SG-N 3.2Å; Q219-F221 HydrophobicContact CB-CE2 4.07Å; Q219-F221 HydrophobicContact CB-CZ 4.17Å; Q219-F221 HydrophobicContact CG-CE2 4.23Å; Q219-F221 HydrophobicContact CG-CZ 3.97Å; Q219-F221 WeakPolarHBondContact O-CE2 3.13Å; Q219-F221 VanDerWaalsContact OE1-CZ 3.31Å; Q219-H230 PolarHBondContact OE1-CE1 2.93Å; Q219-H230 PolarHBondContact OE1-ND1 2.81Å | ||
| 220 | N | 92.4 | Very high | 91.8 | Very high | 70 Ų | 70 | 66.8 Ų | 66.8 | 37% | 0.374 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 140.5 | -174.3 | -74.1 | -71.2 | 0 | 0 | 0 | 111.9 | K210 Q213 H218 | K210-N220 HydrophobicContact CB-CB 3.7Å; K210-N220 HydrophobicContact CD-CB 4.35Å; Q213-N220 VanDerWaalsContact CB-OD1 3.26Å; Q213-N220 WeakPolarHBondContact CB-OD1 3.37Å; Q213-N220 VanDerWaalsContact CG-OD1 3.31Å; Q213-N220 WeakPolarHBondContact CG-OD1 3.15Å; H218-N220 PolarHBondContact O-ND2 3.43Å |
| 221 | F | 91.8 | Very high | 91.7 | Very high | 30 Ų | 30 | 66.1 Ų | 66.1 | 13% | 0.132 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 142.8 | -176.2 | -59.4 | -87.7 | 0 | 0 | 0 | 112.1 | K210 Y212 C214 Q219 R223 R226 L227 H230 | K210-F221 CarbonylContact C-O 3.57Å; K210-F221 WeakPolarHBondContact CA-O 3.35Å; Y212-F221 WeakPolarHBondContact CD2-O 3.18Å; Y212-F221 PolarHBondContact N-O 3.17Å; Y212-F221 PolarHBondContact O-N 3.1Å; C214-F221 HydrophobicContact CB-CE2 4.31Å; Q219-F221 HydrophobicContact CB-CE2 4.07Å; Q219-F221 HydrophobicContact CB-CZ 4.17Å; Q219-F221 HydrophobicContact CG-CE2 4.23Å; Q219-F221 HydrophobicContact CG-CZ 3.97Å; Q219-F221 WeakPolarHBondContact O-CE2 3.13Å; Q219-F221 VanDerWaalsContact OE1-CZ 3.31Å; F221-R223 PolarHBondContact O-N 3.02Å; F221-R226 HydrophobicContact CD1-CB 4.02Å; F221-L227 HydrophobicContact CB-CB 4.18Å; F221-L227 HydrophobicContact CD2-CB 3.78Å; F221-L227 HydrophobicContact CD2-CD1 3.75Å; F221-L227 HydrophobicContact CD2-CG 4.3Å; F221-L227 HydrophobicContact CE2-CB 4.47Å; F221-L227 HydrophobicContact CE2-CD1 3.82Å; F221-L227 HydrophobicContact CG-CB 4.05Å; F221-H230 HydrophobicContact CE1-CB 4.04Å; F221-H230 HydrophobicContact CE2-CB 4.29Å; F221-H230 AromaticContact CE2-CD2 3.82Å; F221-H230 AromaticContact CE2-CG 3.99Å; F221-H230 HydrophobicContact CZ-CB 3.65Å; F221-H230 AromaticContact CZ-CD2 3.64Å; F221-H230 AromaticContact CZ-CE1 4Å; F221-H230 AromaticContact CZ-CG 3.36Å; F221-H230 AromaticContact CZ-ND1 3.62Å |
| 222 | S | 91.3 | Very high | 91.6 | Very high | 50 Ų | 50 | 73.2 Ų | 73.2 | 35% | 0.35 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -73.8 | -12.8 | 175.1 | 58.4 | 0 | 0 | 0 | 0 | 114.3 | R204 E209 | R204-S222 PolarHBondContact NH1-O 3.08Å; E209-S222 WeakPolarHBondContact O-CA 3.49Å; E209-S222 VanDerWaalsContact O-CB 3.28Å; E209-S222 WeakPolarHBondContact O-CB 3.37Å |
| 223 | R | 91.3 | Very high | 91.2 | Very high | 70 Ų | 70 | 78.5 Ų | 78.5 | 26% | 0.264 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -144.1 | 135 | -171.4 | -71.4 | 172.7 | 56.6 | 163.6 | -8.6 | 112.8 | R201 Y212 F221 D225 R226 L227 | R201-R223 HydrophobicContact CG-CG 4.17Å; Y212-R223 VanDerWaalsContact CD2-C 3.43Å; F221-R223 PolarHBondContact O-N 3.02Å; R223-D225 VanDerWaalsContact C-N 3.33Å; R223-D225 WeakPolarHBondContact CB-OD1 3.39Å; R223-D225 IonicContact CZ-OD1 3.87Å; R223-D225 IonicContact CZ-OD2 3.42Å; R223-D225 IonicContact NE-OD1 2.72Å; R223-D225 PolarHBondContact NE-OD1 2.85Å; R223-D225 IonicContact NE-OD2 2.83Å; R223-D225 PolarHBondContact NE-OD2 3.42Å; R223-D225 VanDerWaalsContact NH2-CG 3.26Å; R223-D225 IonicContact NH2-OD1 3.41Å; R223-D225 PolarHBondContact NH2-OD1 3.12Å; R223-D225 VanDerWaalsContact NH2-OD1 3.14Å; R223-D225 IonicContact NH2-OD2 3.14Å; R223-D225 PolarHBondContact NH2-OD2 2.85Å; R223-D225 PolarHBondContact O-N 3.02Å; R223-R226 HydrophobicContact CB-CB 4.33Å; R223-R226 HydrophobicContact CB-CG 3.99Å; R223-R226 PolarHBondContact O-N 3.03Å; R223-L227 PolarHBondContact O-N 3.04Å |
| 224 | T | 92.6 | Very high | 90.8 | Very high | 45 Ų | 45 | 74.1 Ų | 74.1 | 28% | 0.276 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.7 | -36.9 | 177.6 | -37.7 | 0 | 0 | 0 | 0 | 113 | L118 Y212 R226 L227 L228 | L118-T224 HydrophobicContact CD1-CG2 4.03Å; Y212-T224 VanDerWaalsContact CE1-OG1 3.31Å; Y212-T224 WeakPolarHBondContact CE1-OG1 3.46Å; Y212-T224 VanDerWaalsContact CZ-OG1 3.27Å; T224-R226 VanDerWaalsContact C-N 3.31Å; T224-R226 PolarHBondContact O-N 3.27Å; T224-L227 PolarHBondContact O-N 3.01Å; T224-L228 HydrophobicContact CG2-CD1 4.13Å; T224-L228 HydrophobicContact CG2-CG 4.31Å; T224-L228 WeakPolarHBondContact O-CB 3.39Å; T224-L228 WeakPolarHBondContact O-CG 3.38Å; T224-L228 PolarHBondContact O-N 3.46Å |
| 225 | D | 91.6 | Very high | 89.9 | Confident | 71 Ų | 71 | 78 Ų | 78 | 38% | 0.38 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.5 | -32 | 178.3 | 64 | -79.7 | 0 | 0 | 0 | 112.8 | R223 R229 | R223-D225 VanDerWaalsContact C-N 3.33Å; R223-D225 WeakPolarHBondContact CB-OD1 3.39Å; R223-D225 IonicContact CZ-OD1 3.87Å; R223-D225 IonicContact CZ-OD2 3.42Å; R223-D225 IonicContact NE-OD1 2.72Å; R223-D225 PolarHBondContact NE-OD1 2.85Å; R223-D225 IonicContact NE-OD2 2.83Å; R223-D225 PolarHBondContact NE-OD2 3.42Å; R223-D225 VanDerWaalsContact NH2-CG 3.26Å; R223-D225 IonicContact NH2-OD1 3.41Å; R223-D225 PolarHBondContact NH2-OD1 3.12Å; R223-D225 VanDerWaalsContact NH2-OD1 3.14Å; R223-D225 IonicContact NH2-OD2 3.14Å; R223-D225 PolarHBondContact NH2-OD2 2.85Å; R223-D225 PolarHBondContact O-N 3.02Å; D225-R229 WeakPolarHBondContact O-CB 3.47Å; D225-R229 PolarHBondContact O-N 3.47Å; D225-R229 VanDerWaalsContact O-N 3.1Å |
| 226 | R | 92.6 | Very high | 88.6 | Confident | 112 Ų | 112 | 78.3 Ų | 78.3 | 42% | 0.423 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -69.9 | -44.9 | 174 | -64.4 | -59 | -150.7 | -155.9 | 7.8 | 110.9 | F221 R223 T224 R229 H230 | F221-R226 HydrophobicContact CD1-CB 4.02Å; R223-R226 HydrophobicContact CB-CB 4.33Å; R223-R226 HydrophobicContact CB-CG 3.99Å; R223-R226 PolarHBondContact O-N 3.03Å; T224-R226 VanDerWaalsContact C-N 3.31Å; T224-R226 PolarHBondContact O-N 3.27Å; R226-R229 PolarHBondContact O-N 2.72Å; R226-H230 WeakPolarHBondContact O-CB 3.22Å; R226-H230 PolarHBondContact O-N 2.98Å |
| 227 | L | 94 | Very high | 87.3 | Confident | 3 Ų | 3 | 74.6 Ų | 74.6 | 2% | 0.016 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 174 | 170.7 | 59.1 | 0 | 0 | 0 | 112 | L118 Q213 C214 F221 R223 T224 R229 H230 R231 | L118-L227 HydrophobicContact CD2-CD2 3.65Å; Q213-L227 WeakPolarHBondContact O-CD2 3.18Å; C214-L227 HydrophobicContact CB-CD1 3.56Å; F221-L227 HydrophobicContact CB-CB 4.18Å; F221-L227 HydrophobicContact CD2-CB 3.78Å; F221-L227 HydrophobicContact CD2-CD1 3.75Å; F221-L227 HydrophobicContact CD2-CG 4.3Å; F221-L227 HydrophobicContact CE2-CB 4.47Å; F221-L227 HydrophobicContact CE2-CD1 3.82Å; F221-L227 HydrophobicContact CG-CB 4.05Å; R223-L227 PolarHBondContact O-N 3.04Å; T224-L227 PolarHBondContact O-N 3.01Å; L227-R229 VanDerWaalsContact C-N 3.29Å; L227-R229 PolarHBondContact O-N 3.17Å; L227-H230 PolarHBondContact O-N 2.59Å; L227-H230 VanDerWaalsContact O-N 3.17Å; L227-R231 WeakPolarHBondContact O-CB 3.2Å; L227-R231 PolarHBondContact O-N 3.24Å |
| 228 | L | 92.9 | Very high | 85.6 | Confident | 71 Ų | 71 | 81.4 Ų | 81.4 | 37% | 0.372 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.6 | -35.9 | -179.6 | -73.1 | 173.3 | 0 | 0 | 0 | 112.2 | T224 R232 | T224-L228 HydrophobicContact CG2-CD1 4.13Å; T224-L228 HydrophobicContact CG2-CG 4.31Å; T224-L228 WeakPolarHBondContact O-CB 3.39Å; T224-L228 WeakPolarHBondContact O-CG 3.38Å; T224-L228 PolarHBondContact O-N 3.46Å; L228-R232 WeakPolarHBondContact O-CG 3.23Å |
| 229 | R | 91.4 | Very high | 84 | Confident | 152 Ų | 152 | 78.2 Ų | 78.2 | 57% | 0.574 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -67.5 | -46.5 | 172.1 | -173.7 | -176.2 | 68.6 | 160.4 | 7 | 111.5 | D225 R226 L227 R232 | D225-R229 WeakPolarHBondContact O-CB 3.47Å; D225-R229 PolarHBondContact O-N 3.47Å; D225-R229 VanDerWaalsContact O-N 3.1Å; R226-R229 PolarHBondContact O-N 2.72Å; L227-R229 VanDerWaalsContact C-N 3.29Å; L227-R229 PolarHBondContact O-N 3.17Å; R229-R232 PolarHBondContact O-N 2.83Å |
| 230 | H | 92.6 | Very high | 82.1 | Confident | 42 Ų | 42 | 84.6 Ų | 84.6 | 19% | 0.194 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -59.3 | -47.4 | 177.4 | 168 | 91.4 | 0 | 0 | 0 | 111.7 | C217 Q219 F221 R226 L227 R232 L233 C234 | C217-H230 PolarHBondContact SG-NE2 3.1Å; Q219-H230 PolarHBondContact OE1-CE1 2.93Å; Q219-H230 PolarHBondContact OE1-ND1 2.81Å; F221-H230 HydrophobicContact CE1-CB 4.04Å; F221-H230 HydrophobicContact CE2-CB 4.29Å; F221-H230 AromaticContact CE2-CD2 3.82Å; F221-H230 AromaticContact CE2-CG 3.99Å; F221-H230 HydrophobicContact CZ-CB 3.65Å; F221-H230 AromaticContact CZ-CD2 3.64Å; F221-H230 AromaticContact CZ-CE1 4Å; F221-H230 AromaticContact CZ-CG 3.36Å; F221-H230 AromaticContact CZ-ND1 3.62Å; R226-H230 WeakPolarHBondContact O-CB 3.22Å; R226-H230 PolarHBondContact O-N 2.98Å; L227-H230 PolarHBondContact O-N 2.59Å; L227-H230 VanDerWaalsContact O-N 3.17Å; H230-R232 PolarHBondContact O-N 2.87Å; H230-R232 VanDerWaalsContact O-N 3.07Å; H230-L233 CarbonylContact O-C 3.56Å; H230-L233 PolarHBondContact O-N 3.11Å; H230-C234 WeakPolarHBondContact O-CB 3.39Å; H230-C234 PolarHBondContact O-N 2.81Å |
| 231 | R | 90.4 | Very high | 80.1 | Confident | 65 Ų | 65 | 90.1 Ų | 90.1 | 25% | 0.245 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -61.1 | -21.4 | -177.5 | -167 | 173.3 | 67.5 | 178.2 | -1.4 | 114.2 | D215 L227 | D215-R231 VanDerWaalsContact OD1-CD 3.31Å; D215-R231 WeakPolarHBondContact OD1-CD 3.47Å; D215-R231 IonicContact OD2-NH1 3.07Å; D215-R231 PolarHBondContact OD2-NH1 2.97Å; L227-R231 WeakPolarHBondContact O-CB 3.2Å; L227-R231 PolarHBondContact O-N 3.24Å |
| 232 | R | 89.8 | Confident | 78.2 | Confident | 213 Ų | 213 | 96.8 Ų | 96.8 | 80% | 0.804 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -70.3 | -30.1 | 172.1 | -67.4 | 173.9 | -175.5 | -169.8 | -1.4 | 113.2 | L228 R229 H230 | L228-R232 WeakPolarHBondContact O-CG 3.23Å; R229-R232 PolarHBondContact O-N 2.83Å; H230-R232 PolarHBondContact O-N 2.87Å; H230-R232 VanDerWaalsContact O-N 3.07Å |
| 233 | L | 85.7 | Confident | 75.9 | Confident | 143 Ų | 143 | 100 Ų | 100 | 75% | 0.749 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -108.1 | -12.7 | -176.5 | -56.8 | 178.5 | 0 | 0 | 0 | 112.6 | H230 T235 | H230-L233 CarbonylContact O-C 3.56Å; H230-L233 PolarHBondContact O-N 3.11Å; L233-T235 PolarHBondContact O-N 3.04Å |
| 234 | C | 84.4 | Confident | 73.6 | Confident | 8 Ų | 8 | 103.6 Ų | 103.6 | 5% | 0.054 | 52% | 0.519 | C | S | . | . | trans | -70.2 | 97.3 | 179.4 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | R216 H230 | R216-C234 WeakPolarHBondContact CD-O 3.33Å; R216-C234 PolarHBondContact NH1-O 3.28Å; H230-C234 WeakPolarHBondContact O-CB 3.39Å; H230-C234 PolarHBondContact O-N 2.81Å | ||
| 235 | T | 73 | Confident | 71 | Confident | 84 Ų | 84 | 110.9 Ų | 110.9 | 52% | 0.515 | 54% | 0.543 | S | S | . | . | trans | -67.5 | 158.4 | 148.3 | 52.3 | 0 | 0 | 0 | 0 | 109.7 | L233 | L233-T235 PolarHBondContact O-N 3.04Š| ||
| 236 | A | 63.9 | Low | 68.7 | Low | 88 Ų | 88 | 111.9 Ų | 111.9 | 73% | 0.727 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 131.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 237 | G | 59.8 | Low | 66.5 | Low | 63 Ų | 63 | 114 Ų | 114 | 65% | 0.649 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 123.6 | -26.8 | 171 | 0 | 0 | 0 | 0 | 0 | 116.5 | S239 | G237-S239 PolarHBondContact O-N 3.43Š|
| 238 | M | 55.2 | Low | 63.6 | Low | 149 Ų | 149 | 117.8 Ų | 117.8 | 73% | 0.734 | 59% | 0.591 | S | S | * | * | trans | -79.2 | 46.1 | -171.8 | -57.2 | -177.4 | 73.3 | 0 | 0 | 114.9 | ||||
| 239 | S | 56.5 | Low | 61.2 | Low | 56 Ų | 56 | 119 Ų | 119 | 39% | 0.392 | 61% | 0.611 | S | S | . | * | trans | -130.7 | 18.8 | -174.1 | 56.4 | 0 | 0 | 0 | 0 | 116.7 | C217 G237 | C217-S239 WeakPolarHBondContact O-CB 3.47Å; C217-S239 PolarHBondContact O-OG 3.47Å; G237-S239 PolarHBondContact O-N 3.43Å | ||
| 240 | K | 51.4 | Low | 59 | Low | 191 Ų | 191 | 117.2 Ų | 117.2 | 83% | 0.83 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -120.4 | 127.3 | 154.4 | -51.8 | 178.2 | -174.1 | 177.4 | 0 | 104.8 | ||
| 241 | E | 51 | Low | 56.5 | Low | 186 Ų | 186 | 118.7 Ų | 118.7 | 87% | 0.869 | 64% | 0.641 | S | S | * | * | S | Bend | cis | -135.2 | 112.4 | 14.8 | -63.8 | 126.1 | -171.4 | 0 | 0 | 111.4 | ||
| 242 | E | 50.3 | Low | 54.3 | Low | 171 Ų | 171 | 124 Ų | 124 | 80% | 0.799 | 67% | 0.669 | S | S | * | * | trans | -159.7 | 64.2 | 171.7 | -142.6 | -179.9 | -157.8 | 0 | 0 | 114.4 | ||||
| 243 | N | 44.1 | Very low | 52.1 | Low | 116 Ų | 116 | 120.8 Ų | 120.8 | 62% | 0.62 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -147.4 | 17 | 172 | -157.7 | 67.1 | 0 | 0 | 0 | 114.8 | K210 | K210-N243 PolarHBondContact NZ-OD1 2.88Š|
| 244 | Q | 42 | Very low | 50.3 | Low | 146 Ų | 146 | 118 Ų | 118 | 68% | 0.682 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -96.2 | -32.2 | 179 | -163.4 | 59 | 60.1 | 0 | 0 | 113.2 | S246 | Q244-S246 VanDerWaalsContact C-N 3.27Å; Q244-S246 PolarHBondContact O-N 2.95Å |
| 245 | Y | 38.1 | Very low | 48.4 | Very low | 199 Ų | 199 | 122.5 Ų | 122.5 | 78% | 0.78 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 61 | -177.4 | -170 | -116.5 | 0 | 0 | 0 | 112.5 | D248 | Y245-D248 WeakPolarHBondContact CD2-OD2 3.43Å; Y245-D248 WeakPolarHBondContact CE2-OD2 3.49Å |
| 246 | S | 44.7 | Very low | 46.5 | Very low | 92 Ų | 92 | 130.6 Ų | 130.6 | 64% | 0.643 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -158.8 | 20.7 | 174.8 | -65.1 | 0 | 0 | 0 | 0 | 112.7 | Q244 D248 | Q244-S246 VanDerWaalsContact C-N 3.27Å; Q244-S246 PolarHBondContact O-N 2.95Å; S246-D248 PolarHBondContact N-OD1 3.31Å |
| 247 | Q | 45.3 | Very low | 45.3 | Very low | 157 Ų | 157 | 131.1 Ų | 131.1 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -128.8 | -5.4 | -178.7 | -67.6 | -171.6 | -52.7 | 0 | 0 | 113.2 | ||
| 248 | D | 32.2 | Very low | 44.2 | Very low | 81 Ų | 81 | 133.5 Ų | 133.5 | 43% | 0.433 | 73% | 0.725 | S | S | . | * | trans | -102 | -6.2 | -173.6 | 52.2 | -50.6 | 0 | 0 | 0 | 113.7 | Y245 S246 S250 A251 | Y245-D248 WeakPolarHBondContact CD2-OD2 3.43Å; Y245-D248 WeakPolarHBondContact CE2-OD2 3.49Å; S246-D248 PolarHBondContact N-OD1 3.31Å; D248-S250 PolarHBondContact O-N 3.07Å; D248-A251 PolarHBondContact O-N 2.79Å | ||
| 249 | A | 43.3 | Very low | 43.2 | Very low | 97 Ų | 97 | 134.6 Ų | 134.6 | 80% | 0.802 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 20.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 250 | S | 44.6 | Very low | 42.5 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.7 | 11.7 | -177.6 | -58.9 | 0 | 0 | 0 | 0 | 114 | D248 | D248-S250 PolarHBondContact O-N 3.07Š|
| 251 | A | 41.2 | Very low | 41.8 | Very low | 72 Ų | 72 | 137.5 Ų | 137.5 | 60% | 0.595 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -116.4 | -5.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | D248 | D248-A251 PolarHBondContact O-N 2.79Š|
| 252 | H | 43.4 | Very low | 40.8 | Very low | 178 Ų | 178 | 134 Ų | 134 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | trans | -121.1 | 60.5 | -175.5 | -72.3 | -65.3 | 0 | 0 | 0 | 113.6 | ||||
| 253 | T | 44.2 | Very low | 40.1 | Very low | 144 Ų | 144 | 130.3 Ų | 130.3 | 88% | 0.883 | 74% | 0.744 | S | S | * | * | trans | -122.5 | 12 | 163.5 | 51.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 254 | A | 47.6 | Very low | 39.5 | Very low | 84 Ų | 84 | 131.3 Ų | 131.3 | 69% | 0.694 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -91.5 | 141.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 255 | S | 45.5 | Very low | 39.2 | Very low | 104 Ų | 104 | 134.3 Ų | 134.3 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | 66.5 | 54.1 | 174.2 | -166.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 256 | W | 32.7 | Very low | 39.1 | Very low | 254 Ų | 254 | 133.3 Ų | 133.3 | 96% | 0.962 | 76% | 0.762 | S | S | * | * | trans | -113.3 | 81.1 | 144.5 | -89.6 | 60.5 | 0 | 0 | 0 | 109 | P258 | W256-P258 WeakPolarHBondContact O-CD 3.41Š| ||
| 257 | S | 37.4 | Very low | 38.7 | Very low | 99 Ų | 99 | 134 Ų | 134 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 122.3 | 177.2 | -57.9 | 0 | 0 | 0 | 0 | 110.6 | L259 | S257-L259 PolarHBondContact O-N 2.89Š|
| 258 | P | 37.1 | Very low | 38.4 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 124.5 | 174.1 | -19.8 | 33.4 | 0 | 0 | 0 | 111.1 | W256 H260 | W256-P258 WeakPolarHBondContact O-CD 3.41Å; P258-H260 PolarHBondContact O-N 3.46Å |
| 259 | L | 34.3 | Very low | 38.8 | Very low | 172 Ų | 172 | 140 Ų | 140 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -76 | 123.1 | 173.2 | -73.9 | 168.9 | 0 | 0 | 0 | 110.2 | S257 | S257-L259 PolarHBondContact O-N 2.89Š|
| 260 | H | 41.2 | Very low | 38.5 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 132.8 | 175.1 | -68.5 | -110.4 | 0 | 0 | 0 | 111 | P258 S262 | P258-H260 PolarHBondContact O-N 3.46Å; H260-S262 PolarHBondContact O-N 3.28Å |
| 261 | P | 36.7 | Very low | 38.2 | Very low | 135 Ų | 135 | 143.8 Ų | 143.8 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | trans | -85.9 | 101.8 | 171.2 | 32 | -31.2 | 0 | 0 | 0 | 111.4 | ||||
| 262 | S | 30.8 | Very low | 38 | Very low | 113 Ų | 113 | 148 Ų | 148 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | trans | -165.2 | 131.4 | 172.8 | 178.2 | 0 | 0 | 0 | 0 | 109 | H260 | H260-S262 PolarHBondContact O-N 3.28Š| ||
| 263 | S | 35.4 | Very low | 37.7 | Very low | 93 Ų | 93 | 146.1 Ų | 146.1 | 65% | 0.65 | 82% | 0.823 | S | S | * | * | cis | -162.6 | -176.2 | -9.4 | -172.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 264 | N | 31.6 | Very low | 37.2 | Very low | 137 Ų | 137 | 146.3 Ų | 146.3 | 73% | 0.733 | 82% | 0.819 | S | S | * | * | trans | 74.7 | 115 | 154.5 | -76.8 | -29.4 | 0 | 0 | 0 | 120.9 | ||||
| 265 | R | 35.6 | Very low | 36.5 | Very low | 208 Ų | 208 | 150.7 Ų | 150.7 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | 62.5 | 105.4 | 109.8 | -163.3 | -169.7 | -141.3 | -112.1 | 7.1 | 117.7 | |||||
| 266 | L | 36 | Very low | 35.8 | Very low | 179 Ų | 179 | 154.3 Ų | 154.3 | 94% | 0.937 | 84% | 0.836 | S | S | * | * | trans | -117.2 | 139.6 | 150.5 | -77.9 | 174.5 | 0 | 0 | 0 | 110.5 | ||||
| 267 | T | 36.8 | Very low | 36.1 | Very low | 107 Ų | 107 | 146 Ų | 146 | 66% | 0.656 | 83% | 0.825 | S | S | * | * | trans | -113.2 | 124.2 | 172.6 | 46.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 268 | V | 39.9 | Very low | 35.9 | Very low | 223 Ų | 223 | 150.3 Ų | 150.3 | 100% | 1.352 | 84% | 0.838 | S | S | * | * | trans | -141.4 | 0 | 149.2 | -179.3 | 0 | 0 | 0 | 0 | 106.1 |
Retrieved 268 of 268 residues in 102 ms
(Link to these results)