| 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 | 37.3 | Very low | 39.6 | Very low | 233 Ų | 233 | 149.9 Ų | 149.9 | 100% | 1.148 | 84% | 0.84 | S | S | * | * | 0 | 116.2 | 0 | -62.7 | 160.6 | -178.9 | 0 | 0 | 104.9 | |||||
| 2 | L | 36.9 | Very low | 39.4 | Very low | 160 Ų | 160 | 150 Ų | 150 | 84% | 0.838 | 84% | 0.835 | S | S | * | * | 57.5 | 122 | 56.4 | -72.5 | 158.6 | 0 | 0 | 0 | 109.9 | |||||
| 3 | L | 38.1 | Very low | 38.8 | Very low | 145 Ų | 145 | 144.3 Ų | 144.3 | 76% | 0.759 | 83% | 0.831 | S | S | * | * | cis | -130.3 | 148.3 | 14 | -76.9 | 153.2 | 0 | 0 | 0 | 109.5 | ||||
| 4 | D | 36.5 | Very low | 38.6 | Very low | 145 Ų | 145 | 142.2 Ų | 142.2 | 78% | 0.775 | 82% | 0.821 | S | S | * | * | 77.2 | 126.1 | 63.9 | -157.5 | 0.7 | 0 | 0 | 0 | 114.8 | |||||
| 5 | A | 42.7 | Very low | 38.3 | Very low | 100 Ų | 100 | 142.1 Ų | 142.1 | 83% | 0.826 | 82% | 0.824 | S | S | * | * | trans | -167 | 96.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 6 | G | 36 | Very low | 38.2 | Very low | 63 Ų | 63 | 139.6 Ų | 139.6 | 65% | 0.649 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -86 | 163.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 7 | P | 45.7 | Very low | 37.7 | Very low | 124 Ų | 124 | 143.6 Ų | 143.6 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 160.1 | 176.9 | 34 | -35.9 | 0 | 0 | 0 | 113.3 | ||
| 8 | Q | 40.8 | Very low | 37.1 | Very low | 194 Ų | 194 | 139.7 Ų | 139.7 | 91% | 0.907 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 146.5 | -172.9 | -59.1 | 176.3 | 14.8 | 0 | 0 | 113.3 | ||
| 9 | Y | 36.4 | Very low | 36.9 | Very low | 219 Ų | 219 | 139.1 Ų | 139.1 | 86% | 0.859 | 82% | 0.818 | S | S | * | * | trans | -113.7 | 144.2 | 168.3 | -78 | -94.4 | 0 | 0 | 0 | 110.7 | ||||
| 10 | P | 50 | Low | 36.4 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 151.1 | 160.2 | 34.7 | -30.8 | 0 | 0 | 0 | 112.1 | ||
| 11 | T | 35.2 | Very low | 36.3 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 154.8 | -164.3 | -47.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 12 | I | 36.8 | Very low | 36 | Very low | 151 Ų | 151 | 138.4 Ų | 138.4 | 77% | 0.774 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 137.5 | 173.1 | -59.5 | 170.5 | 0 | 0 | 0 | 110.8 | V14 | I12-V14 HydrophobicContact CG2-CG2 4.04Š|
| 13 | G | 31.8 | Very low | 35.7 | Very low | 76 Ų | 76 | 138.4 Ų | 138.4 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | -105.7 | 137 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 14 | V | 35.8 | Very low | 35.2 | Very low | 115 Ų | 115 | 137 Ų | 137 | 70% | 0.697 | 80% | 0.797 | S | S | * | * | trans | -129.5 | 134.2 | 178.5 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | I12 T16 | I12-V14 HydrophobicContact CG2-CG2 4.04Å; V14-T16 HydrophobicContact CG1-CG2 4.4Å | ||
| 15 | T | 35.1 | Very low | 34.9 | Very low | 140 Ų | 140 | 136.7 Ų | 136.7 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | trans | -135.6 | 152.4 | 164.9 | 50.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 16 | T | 35.8 | Very low | 34.2 | Very low | 102 Ų | 102 | 135.5 Ų | 135.5 | 63% | 0.626 | 80% | 0.798 | S | S | * | * | trans | -145.5 | 169.8 | -171.5 | 44.6 | 0 | 0 | 0 | 0 | 111.3 | V14 | V14-T16 HydrophobicContact CG1-CG2 4.4Š| ||
| 17 | F | 30.7 | Very low | 33.7 | Very low | 209 Ų | 209 | 141.3 Ų | 141.3 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | trans | 72.6 | 148.8 | -178.8 | -53.1 | -82.9 | 0 | 0 | 0 | 115.4 | ||||
| 18 | G | 26.5 | Very low | 33 | Very low | 73 Ų | 73 | 141 Ų | 141 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | cis | -154.9 | 173.6 | 3.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 19 | S | 32.5 | Very low | 32.5 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | trans | -84.2 | 156.9 | -169.8 | -46.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 20 | S | 27.3 | Very low | 32.3 | Very low | 109 Ų | 109 | 136.4 Ų | 136.4 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | -152.9 | 164 | 133.2 | -163.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 21 | R | 34.2 | Very low | 31.5 | Very low | 214 Ų | 214 | 141.5 Ų | 141.5 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | trans | -145.2 | 124.9 | -173.5 | -175.7 | -169.1 | -163.3 | -165.1 | 6.6 | 108.9 | ||||
| 22 | H | 31.5 | Very low | 31.2 | Very low | 174 Ų | 174 | 143 Ų | 143 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | trans | -130.4 | 137.6 | 172.1 | -89.2 | -92.2 | 0 | 0 | 0 | 111.6 | ||||
| 23 | H | 30.9 | Very low | 30.9 | Very low | 160 Ų | 160 | 142 Ų | 142 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | -84.3 | 154.1 | 163.1 | -87.6 | -104.3 | 0 | 0 | 0 | 109.8 | ||||
| 24 | S | 27.1 | Very low | 30.6 | Very low | 116 Ų | 116 | 142.2 Ų | 142.2 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | -138.3 | 158 | 151.7 | -166.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 25 | T | 29.1 | Very low | 30.4 | Very low | 137 Ų | 137 | 145.3 Ų | 145.3 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | trans | -121.8 | 154.9 | -172 | 44.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 26 | G | 28 | Very low | 29.9 | Very low | 76 Ų | 76 | 142.5 Ų | 142.5 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | 136.9 | 131 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 27 | E | 25.7 | Very low | 29.8 | Very low | 184 Ų | 184 | 145.4 Ų | 145.4 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | cis | -179.6 | 128.3 | -29.7 | 166.4 | 163.3 | -137.4 | 0 | 0 | 104.7 | ||||
| 28 | V | 31.3 | Very low | 30 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 71% | 0.709 | 81% | 0.81 | S | S | * | * | trans | 18.4 | 123 | 160.4 | -174.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 29 | T | 30.8 | Very low | 30.7 | Very low | 145 Ų | 145 | 145.2 Ų | 145.2 | 89% | 0.89 | 81% | 0.814 | S | S | * | * | -156.1 | 137.1 | 127.2 | 1.2 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 30 | E | 32 | Very low | 30.6 | Very low | 173 Ų | 173 | 149.3 Ų | 149.3 | 81% | 0.808 | 82% | 0.815 | S | S | * | * | trans | -95.4 | 149.1 | -179 | -59.1 | 175.3 | 115.1 | 0 | 0 | 111.9 | ||||
| 31 | R | 32.3 | Very low | 30.8 | Very low | 232 Ų | 232 | 148.2 Ų | 148.2 | 88% | 0.875 | 81% | 0.813 | S | S | * | * | trans | -174.8 | 102.2 | 137.8 | -103.1 | 154.9 | -174.3 | 154.8 | 4.4 | 113.8 | ||||
| 32 | E | 30.5 | Very low | 30.7 | Very low | 173 Ų | 173 | 145.4 Ų | 145.4 | 81% | 0.808 | 81% | 0.814 | S | S | * | * | 44.6 | 122 | 127.9 | -65.6 | -164.1 | 115.6 | 0 | 0 | 123 | |||||
| 33 | V | 29.3 | Very low | 30.6 | Very low | 130 Ų | 130 | 140.6 Ų | 140.6 | 79% | 0.788 | 81% | 0.812 | S | S | * | * | 93.6 | 131.4 | 125.1 | 169.8 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 34 | A | 26.8 | Very low | 30.7 | Very low | 79 Ų | 79 | 141.6 Ų | 141.6 | 65% | 0.653 | 82% | 0.819 | S | S | * | * | trans | 78 | 108.7 | 154.8 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 35 | L | 29.8 | Very low | 30.8 | Very low | 181 Ų | 181 | 140.2 Ų | 140.2 | 95% | 0.948 | 82% | 0.823 | S | S | * | * | 47.6 | 107.7 | 123.3 | -58 | 171.5 | 0 | 0 | 0 | 119.7 | |||||
| 36 | G | 26.2 | Very low | 30.9 | Very low | 80 Ų | 80 | 138.4 Ų | 138.4 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | -149.8 | 133.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 37 | I | 32.1 | Very low | 30.7 | Very low | 163 Ų | 163 | 145.2 Ų | 145.2 | 84% | 0.836 | 83% | 0.83 | S | S | * | * | trans | -86.6 | 150.8 | -171.9 | -66.7 | 162.8 | 0 | 0 | 0 | 112.1 | ||||
| 38 | N | 35.4 | Very low | 30.9 | Very low | 150 Ų | 150 | 144.9 Ų | 144.9 | 80% | 0.802 | 83% | 0.826 | S | S | * | * | trans | -21.9 | 149.4 | 168.4 | -52.9 | -41.4 | 0 | 0 | 0 | 117.3 | ||||
| 39 | P | 42.1 | Very low | 31 | Very low | 129 Ų | 129 | 147.6 Ų | 147.6 | 84% | 0.838 | 83% | 0.834 | S | S | * | * | -141.4 | -174.9 | 106.2 | 40.2 | -28.2 | 0 | 0 | 0 | 116.5 | |||||
| 40 | F | 29.5 | Very low | 30.8 | Very low | 213 Ų | 213 | 146 Ų | 146 | 93% | 0.934 | 82% | 0.82 | S | S | * | * | trans | -82.8 | -176.2 | -178.8 | -117.1 | -115 | 0 | 0 | 0 | 113.7 | ||||
| 41 | A | 32.4 | Very low | 30.7 | Very low | 86 Ų | 86 | 147 Ų | 147 | 71% | 0.711 | 83% | 0.825 | S | S | * | * | trans | 83 | 155.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 42 | D | 32.4 | Very low | 30.5 | Very low | 155 Ų | 155 | 141 Ų | 141 | 83% | 0.829 | 82% | 0.818 | S | S | * | * | cis | -145.6 | 178.8 | 0.7 | -143.3 | -38.5 | 0 | 0 | 0 | 112.2 | ||||
| 43 | G | 29.7 | Very low | 30.4 | Very low | 73 Ų | 73 | 137.4 Ų | 137.4 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | trans | 173.9 | 41.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 44 | M | 33 | Very low | 30.6 | Very low | 182 Ų | 182 | 140.2 Ų | 140.2 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | trans | -123 | 131 | 165.2 | -73.7 | -168.6 | -66.9 | 0 | 0 | 112.4 | ||||
| 45 | G | 27.9 | Very low | 30.6 | Very low | 86 Ų | 86 | 143.2 Ų | 143.2 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | trans | -84.8 | 145.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 46 | A | 31.1 | Very low | 30.6 | Very low | 99 Ų | 99 | 143 Ų | 143 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -128.5 | 155.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 47 | F | 25.3 | Very low | 30.6 | Very low | 220 Ų | 220 | 144.2 Ų | 144.2 | 97% | 0.965 | 82% | 0.816 | S | S | * | * | trans | -110.1 | 139 | 168.5 | -108.4 | -95.9 | 0 | 0 | 0 | 110.3 | ||||
| 48 | K | 28.9 | Very low | 30.5 | Very low | 177 Ų | 177 | 142.7 Ų | 142.7 | 77% | 0.77 | 82% | 0.82 | S | S | * | * | trans | -79.9 | 152.1 | -175.4 | -65 | 175.2 | 173.9 | 176.6 | 0 | 113 | ||||
| 49 | I | 32.6 | Very low | 30.2 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | -136.6 | 145.5 | 118.3 | -60 | -170.8 | 0 | 0 | 0 | 107.7 | |||||
| 50 | N | 27.6 | Very low | 29.7 | Very low | 112 Ų | 112 | 141.4 Ų | 141.4 | 60% | 0.599 | 82% | 0.816 | S | S | * | * | trans | -89.3 | 157.1 | -178.3 | -56.8 | -15 | 0 | 0 | 0 | 112.6 | ||||
| 51 | H | 29.6 | Very low | 29.7 | Very low | 194 Ų | 194 | 137.4 Ų | 137.4 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | -148.3 | 164.8 | 124.7 | -115.8 | 68.6 | 0 | 0 | 0 | 112.1 | |||||
| 52 | S | 27.6 | Very low | 29.4 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | trans | -100 | 157.7 | -150.8 | -54.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 53 | S | 30 | Very low | 29.1 | Very low | 97 Ų | 97 | 139.4 Ų | 139.4 | 68% | 0.678 | 81% | 0.812 | S | S | * | * | trans | -64.8 | 158.4 | 169 | 51.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 54 | H | 32.6 | Very low | 28.9 | Very low | 190 Ų | 190 | 140 Ų | 140 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | -155.7 | 125.7 | 126.7 | -115 | -74.2 | 0 | 0 | 0 | 112 | |||||
| 55 | D | 27.5 | Very low | 28.7 | Very low | 141 Ų | 141 | 136.6 Ų | 136.6 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | trans | -78.5 | 159.3 | 167.5 | -75.5 | -81.9 | 0 | 0 | 0 | 111.9 | ||||
| 56 | L | 29.3 | Very low | 28.9 | Very low | 176 Ų | 176 | 141.2 Ų | 141.2 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | -172.9 | 156.9 | 120 | -100.5 | 163.2 | 0 | 0 | 0 | 111.8 | |||||
| 57 | S | 26.8 | Very low | 28.8 | Very low | 107 Ų | 107 | 140.9 Ų | 140.9 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -130.3 | 137.6 | -180 | 77.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 58 | S | 29.4 | Very low | 29.9 | Very low | 130 Ų | 130 | 136.7 Ų | 136.7 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | trans | 162 | 160.4 | 160.9 | 44.5 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 59 | G | 29.3 | Very low | 29.8 | Very low | 67 Ų | 67 | 131.7 Ų | 131.7 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | cis | 165.9 | 156 | -4.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 60 | Q | 30.8 | Very low | 29.7 | Very low | 186 Ų | 186 | 133.9 Ų | 133.9 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | 68.4 | 106.3 | 172.1 | -60 | -172.7 | -1 | 0 | 0 | 119.3 | ||||
| 61 | T | 28.8 | Very low | 29.7 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | 30.8 | 134.6 | 124.9 | 58.3 | 0 | 0 | 0 | 0 | 123 | |||||
| 62 | A | 27.6 | Very low | 29.7 | Very low | 90 Ų | 90 | 128.4 Ų | 128.4 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | 112.6 | 136.2 | 129 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 63 | F | 25.3 | Very low | 29.7 | Very low | 192 Ų | 192 | 128.5 Ų | 128.5 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | trans | 64.3 | 96.2 | 152.5 | -92.5 | -107.6 | 0 | 0 | 0 | 122.4 | ||||
| 64 | S | 26.7 | Very low | 29.8 | Very low | 87 Ų | 87 | 128.2 Ų | 128.2 | 61% | 0.608 | 80% | 0.801 | S | S | * | * | 67.1 | 122 | 111.4 | -56.2 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 65 | S | 28.8 | Very low | 29.7 | Very low | 110 Ų | 110 | 127.1 Ų | 127.1 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | 72 | 148 | 151.7 | 80.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 66 | Q | 31.1 | Very low | 29.7 | Very low | 183 Ų | 183 | 123.6 Ų | 123.6 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | cis | -141.6 | 162 | 20.8 | -65 | 172 | -7.9 | 0 | 0 | 112.6 | ||||
| 67 | A | 28.4 | Very low | 29.7 | Very low | 91 Ų | 91 | 122.4 Ų | 122.4 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | -100.2 | 176.6 | 158.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 68 | P | 48.2 | Very low | 29.8 | Very low | 132 Ų | 132 | 124.3 Ų | 124.3 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | cis | -135 | 176.8 | 8.4 | 41.7 | -24.1 | 0 | 0 | 0 | 116 | ||||
| 69 | G | 28.8 | Very low | 29.8 | Very low | 73 Ų | 73 | 126.4 Ų | 126.4 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | -150 | 134.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 70 | Y | 29.2 | Very low | 29.7 | Very low | 218 Ų | 218 | 131.5 Ų | 131.5 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | trans | -92.7 | 166.8 | -163.1 | 44 | -97.9 | 0 | 0 | 0 | 115.1 | ||||
| 71 | A | 28.4 | Very low | 30.8 | Very low | 86 Ų | 86 | 126.8 Ų | 126.8 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | 32.5 | 117.4 | 154.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 72 | A | 29.1 | Very low | 30.9 | Very low | 106 Ų | 106 | 126.7 Ų | 126.7 | 88% | 0.876 | 77% | 0.769 | S | S | * | * | 75.4 | 112.4 | 59.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 73 | A | 28.8 | Very low | 31.1 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | trans | -158.1 | 160.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 74 | A | 31.6 | Very low | 31.3 | Very low | 90 Ų | 90 | 126.8 Ų | 126.8 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | trans | -134.4 | -163.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 75 | L | 29.8 | Very low | 31.3 | Very low | 168 Ų | 168 | 128 Ų | 128 | 88% | 0.88 | 77% | 0.773 | S | S | * | * | trans | 78.1 | 143.5 | -165.2 | -47.8 | 166.3 | 0 | 0 | 0 | 111 | ||||
| 76 | G | 27.1 | Very low | 31.3 | Very low | 66 Ų | 66 | 127.7 Ų | 127.7 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | cis | 126.4 | 138.9 | 21.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 77 | H | 30.6 | Very low | 31.1 | Very low | 152 Ų | 152 | 130.3 Ų | 130.3 | 70% | 0.704 | 77% | 0.774 | S | S | * | * | cis | -167.1 | 167 | 31.5 | -109.2 | -105.9 | 0 | 0 | 0 | 111.7 | ||||
| 78 | H | 28.9 | Very low | 31.1 | Very low | 147 Ų | 147 | 131.8 Ų | 131.8 | 68% | 0.681 | 78% | 0.779 | S | S | * | * | trans | 75.9 | 144.1 | 141.1 | -80.2 | -52.7 | 0 | 0 | 0 | 126.4 | ||||
| 79 | H | 29.6 | Very low | 30.3 | Very low | 174 Ų | 174 | 132.6 Ų | 132.6 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | trans | 93.7 | 146.4 | 148.1 | -72.3 | -56.2 | 0 | 0 | 0 | 123.3 | ||||
| 80 | H | 27.2 | Very low | 30.2 | Very low | 173 Ų | 173 | 133.2 Ų | 133.2 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | trans | -162.1 | 166.2 | -160.4 | 177.5 | -121.2 | 0 | 0 | 0 | 104.5 | ||||
| 81 | P | 53.7 | Low | 30.2 | Very low | 88 Ų | 88 | 127.7 Ų | 127.7 | 57% | 0.571 | 78% | 0.779 | S | S | * | * | cis | -126.8 | -168.6 | -9.3 | 28.1 | -5 | 0 | 0 | 0 | 113.8 | ||||
| 82 | T | 30.1 | Very low | 30.2 | Very low | 126 Ų | 126 | 133 Ų | 133 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | 149.6 | 158.2 | 135.1 | 48.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 83 | H | 32.2 | Very low | 30.4 | Very low | 170 Ų | 170 | 135.9 Ų | 135.9 | 79% | 0.787 | 79% | 0.787 | S | S | * | * | cis | -142.6 | 173.7 | 1 | -146.1 | -87.7 | 0 | 0 | 0 | 112.8 | ||||
| 84 | V | 29.8 | Very low | 30.5 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | trans | -75.8 | 143.3 | -171.4 | 177.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 85 | S | 26.7 | Very low | 30.7 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -174.9 | 157.4 | 140.2 | -83.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 86 | S | 28 | Very low | 31.3 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | cis | -172.9 | 134.6 | -31 | -92.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 87 | Y | 27.9 | Very low | 31.5 | Very low | 239 Ų | 239 | 142 Ų | 142 | 94% | 0.937 | 77% | 0.773 | S | S | * | * | trans | -83.8 | 146.3 | -171.7 | -77.9 | -98.3 | 0 | 0 | 0 | 113.7 | ||||
| 88 | S | 28.2 | Very low | 31.5 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -143.8 | 132.4 | 158.9 | -80.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 89 | T | 29.8 | Very low | 31.9 | Very low | 149 Ų | 149 | 143.9 Ų | 143.9 | 91% | 0.914 | 78% | 0.784 | S | S | * | * | trans | -53 | 129.6 | -168.2 | 42.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 90 | A | 27.6 | Very low | 32.4 | Very low | 85 Ų | 85 | 144.4 Ų | 144.4 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | trans | -96.4 | 132.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112 | F92 | A90-F92 PolarHBondContact O-N 3.04Š| ||
| 91 | A | 29.3 | Very low | 32.7 | Very low | 102 Ų | 102 | 147.2 Ų | 147.2 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | -80.5 | 114.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | N93 | A91-N93 PolarHBondContact O-N 3.41Š| ||
| 92 | F | 27.8 | Very low | 31.5 | Very low | 198 Ų | 198 | 151.1 Ų | 151.1 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | trans | -69.9 | 122.5 | -178.2 | -89.7 | -94.2 | 0 | 0 | 0 | 112.5 | A90 | A90-F92 PolarHBondContact O-N 3.04Š| ||
| 93 | N | 33.7 | Very low | 31.6 | Very low | 167 Ų | 167 | 157.3 Ų | 157.3 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -151.7 | 60.3 | 171.5 | -134.5 | -29.9 | 0 | 0 | 0 | 112.2 | A91 | A91-N93 PolarHBondContact O-N 3.41Š| ||
| 94 | S | 31.1 | Very low | 31.5 | Very low | 73 Ų | 73 | 152.3 Ų | 152.3 | 51% | 0.51 | 81% | 0.807 | S | S | . | * | trans | -152.5 | 103.9 | 177.1 | -174.7 | 0 | 0 | 0 | 0 | 112.5 | R96 | S94-R96 PolarHBondContact O-N 3.17Å; S94-R96 VanDerWaalsContact O-N 3.1Å; S94-R96 WeakPolarHBondContact OG-CB 3.32Å; S94-R96 WeakPolarHBondContact OG-CG 3.3Å | ||
| 95 | T | 35.9 | Very low | 31.5 | Very low | 143 Ų | 143 | 157.4 Ų | 157.4 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | trans | -82.2 | 43.2 | 173.3 | 33.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 96 | R | 41.9 | Very low | 31.6 | Very low | 213 Ų | 213 | 154.8 Ų | 154.8 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -95.5 | -18.9 | -170.5 | -77.7 | -168.8 | 59.6 | 131.2 | 1 | 116.7 | S94 | S94-R96 PolarHBondContact O-N 3.17Å; S94-R96 VanDerWaalsContact O-N 3.1Å; S94-R96 WeakPolarHBondContact OG-CB 3.32Å; S94-R96 WeakPolarHBondContact OG-CG 3.3Å | ||
| 97 | D | 31.7 | Very low | 31.6 | Very low | 131 Ų | 131 | 158 Ų | 158 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -119.9 | 2.3 | -165.5 | -63.8 | -78.7 | 0 | 0 | 0 | 115.1 | L99 | D97-L99 VanDerWaalsContact C-N 3.28Å; D97-L99 PolarHBondContact O-N 3.07Å; D97-L99 VanDerWaalsContact O-N 3.17Å |
| 98 | F | 29.8 | Very low | 31.6 | Very low | 192 Ų | 192 | 150.5 Ų | 150.5 | 84% | 0.842 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | 10.5 | -173.9 | -90.7 | -74.6 | 0 | 0 | 0 | 116.6 | ||
| 99 | L | 38.9 | Very low | 31.6 | Very low | 147 Ų | 147 | 150.8 Ų | 150.8 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.3 | 1.3 | -176.2 | -68.1 | 179.6 | 0 | 0 | 0 | 115.7 | D97 | D97-L99 VanDerWaalsContact C-N 3.28Å; D97-L99 PolarHBondContact O-N 3.07Å; D97-L99 VanDerWaalsContact O-N 3.17Å |
| 100 | F | 39.1 | Very low | 31.5 | Very low | 184 Ų | 184 | 149.2 Ų | 149.2 | 81% | 0.807 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -129.6 | 34.6 | -176.8 | -67.2 | -69.8 | 0 | 0 | 0 | 114.7 | ||
| 101 | R | 32.6 | Very low | 31.6 | Very low | 232 Ų | 232 | 148.9 Ų | 148.9 | 88% | 0.875 | 80% | 0.797 | S | S | * | * | trans | -136.2 | 92.7 | 163.8 | -90.1 | -169.5 | 166.3 | -157.8 | -4.1 | 111.6 | ||||
| 102 | N | 28.9 | Very low | 31.7 | Very low | 171 Ų | 171 | 152.3 Ų | 152.3 | 91% | 0.914 | 80% | 0.796 | S | S | * | * | trans | -179.9 | 89.8 | 133.2 | -95.4 | -6.1 | 0 | 0 | 0 | 112.2 | ||||
| 103 | R | 33.5 | Very low | 31.8 | Very low | 255 Ų | 255 | 151 Ų | 151 | 96% | 0.962 | 79% | 0.792 | S | S | * | * | trans | -157.3 | 120.2 | 130.9 | -146.3 | 171.5 | -169.1 | 155.4 | 2.9 | 108.9 | ||||
| 104 | G | 29.7 | Very low | 31.6 | Very low | 66 Ų | 66 | 148 Ų | 148 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | trans | -126.3 | 137.8 | 166 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 105 | F | 30.1 | Very low | 31.5 | Very low | 221 Ų | 221 | 151.6 Ų | 151.6 | 97% | 0.969 | 80% | 0.797 | S | S | * | * | trans | -152.2 | 146.6 | 155.2 | -118.7 | -83.5 | 0 | 0 | 0 | 106.4 | ||||
| 106 | G | 29.3 | Very low | 31.2 | Very low | 58 Ų | 58 | 154.2 Ų | 154.2 | 60% | 0.598 | 80% | 0.796 | S | S | * | * | trans | -103.6 | -164 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 107 | D | 26.6 | Very low | 30.5 | Very low | 169 Ų | 169 | 147.5 Ų | 147.5 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | trans | 66.7 | 154.7 | 166.6 | -51 | -28.9 | 0 | 0 | 0 | 117.6 | ||||
| 108 | A | 28.8 | Very low | 30.5 | Very low | 83 Ų | 83 | 146.7 Ų | 146.7 | 69% | 0.686 | 79% | 0.791 | S | S | * | * | cis | -157.8 | 144.1 | -37 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 109 | T | 27.6 | Very low | 30.4 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | 8.3 | 123.1 | 159.4 | 52.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 110 | S | 28.4 | Very low | 30 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | 104.4 | 153 | 123.1 | 79 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 111 | A | 28.1 | Very low | 29.4 | Very low | 77 Ų | 77 | 135 Ų | 135 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | trans | 79.1 | 80.6 | 148.1 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 112 | Q | 33 | Very low | 29.3 | Very low | 174 Ų | 174 | 129.3 Ų | 129.3 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | 71 | 158.2 | 114.7 | -75.3 | -176.4 | -26.6 | 0 | 0 | 123.9 | |||||
| 113 | H | 28.9 | Very low | 29.2 | Very low | 171 Ų | 171 | 130.6 Ų | 130.6 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | trans | 78.8 | 116.9 | 161.2 | -80 | -70.9 | 0 | 0 | 0 | 121.3 | ||||
| 114 | S | 30.2 | Very low | 29.2 | Very low | 103 Ų | 103 | 123.4 Ų | 123.4 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | trans | -74.6 | 162.3 | 169.9 | -21.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 115 | L | 28.9 | Very low | 29.1 | Very low | 150 Ų | 150 | 123.8 Ų | 123.8 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | 171.2 | 140.9 | 119.2 | -90.3 | 164.8 | 0 | 0 | 0 | 112.3 | |||||
| 116 | F | 29.4 | Very low | 30.2 | Very low | 197 Ų | 197 | 119 Ų | 119 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | 57.9 | 170.7 | 163.6 | -82.6 | -118.3 | 0 | 0 | 0 | 118.7 | ||||
| 117 | A | 27.8 | Very low | 30.3 | Very low | 73 Ų | 73 | 126 Ų | 126 | 60% | 0.603 | 79% | 0.792 | S | S | * | * | -172.6 | 153 | -55.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 118 | S | 30.1 | Very low | 30.3 | Very low | 114 Ų | 114 | 121 Ų | 121 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | 56.4 | 102.7 | 150.7 | -58.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 119 | A | 28.7 | Very low | 30.4 | Very low | 99 Ų | 99 | 126 Ų | 126 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | 70.4 | 142.1 | 116.4 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 120 | A | 29.8 | Very low | 30.5 | Very low | 111 Ų | 111 | 123.6 Ų | 123.6 | 92% | 0.917 | 78% | 0.778 | S | S | * | * | trans | 65.2 | 152.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 121 | G | 27.2 | Very low | 30.5 | Very low | 66 Ų | 66 | 125.2 Ų | 125.2 | 68% | 0.68 | 78% | 0.777 | S | S | * | * | cis | 170.2 | 126 | -13.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 122 | S | 29.8 | Very low | 30.7 | Very low | 113 Ų | 113 | 125.6 Ų | 125.6 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | 75.3 | 157.2 | 152.1 | -52.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 123 | F | 28.5 | Very low | 30.7 | Very low | 199 Ų | 199 | 123.9 Ų | 123.9 | 87% | 0.873 | 78% | 0.782 | S | S | * | * | trans | 69.1 | 90.7 | 161 | -70.9 | -70.8 | 0 | 0 | 0 | 122.8 | ||||
| 124 | A | 31.9 | Very low | 30.8 | Very low | 103 Ų | 103 | 119.2 Ų | 119.2 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | 43.5 | 141.9 | 110.3 | 0 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 125 | G | 29.3 | Very low | 30.9 | Very low | 74 Ų | 74 | 122 Ų | 122 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | 128.7 | 120.5 | 142.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 126 | P | 51.4 | Low | 31.1 | Very low | 121 Ų | 121 | 121.9 Ų | 121.9 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -114.9 | 137.2 | -180 | 37.9 | -28 | 0 | 0 | 0 | 115.8 | ||||
| 127 | H | 32.8 | Very low | 31.2 | Very low | 204 Ų | 204 | 119.9 Ų | 119.9 | 94% | 0.944 | 78% | 0.778 | S | S | * | * | trans | -149.7 | 154 | 160.2 | -65.9 | -83.9 | 0 | 0 | 0 | 108 | ||||
| 128 | G | 26.4 | Very low | 31.2 | Very low | 64 Ų | 64 | 125.8 Ų | 125.8 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | cis | 144.8 | 109.3 | -8.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 129 | H | 30.3 | Very low | 31.9 | Very low | 188 Ų | 188 | 126.3 Ų | 126.3 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | trans | 64.9 | 166.6 | 172.7 | -77.5 | -98.1 | 0 | 0 | 0 | 118 | ||||
| 130 | S | 29.4 | Very low | 31.9 | Very low | 78 Ų | 78 | 124.6 Ų | 124.6 | 55% | 0.545 | 78% | 0.783 | S | S | . | * | cis | -173.5 | 174 | -39.6 | 64.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 131 | D | 28.7 | Very low | 31.9 | Very low | 150 Ų | 150 | 127.7 Ų | 127.7 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | cis | -113.9 | -115.7 | -0.8 | -75.7 | -88.2 | 0 | 0 | 0 | 110.6 | ||||
| 132 | A | 31.9 | Very low | 32 | Very low | 86 Ų | 86 | 131.2 Ų | 131.2 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | cis | -162.5 | 168.1 | -7.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 133 | T | 33.7 | Very low | 32 | Very low | 138 Ų | 138 | 132.4 Ų | 132.4 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | cis | -160.2 | 158 | 0.3 | -14.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 134 | G | 29.9 | Very low | 32.2 | Very low | 72 Ų | 72 | 130.3 Ų | 130.3 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | 173.9 | 41.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 135 | H | 33.5 | Very low | 31.9 | Very low | 162 Ų | 162 | 130 Ų | 130 | 75% | 0.75 | 77% | 0.765 | S | S | * | * | trans | 32.4 | 120.4 | 156.2 | -77.3 | -87 | 0 | 0 | 0 | 123.3 | ||||
| 136 | L | 32.8 | Very low | 31.9 | Very low | 147 Ų | 147 | 130.6 Ų | 130.6 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | 71.4 | 141 | 137.3 | -57 | 173.4 | 0 | 0 | 0 | 118.1 | ||||
| 137 | L | 32.4 | Very low | 30.8 | Very low | 156 Ų | 156 | 129.7 Ų | 129.7 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | cis | -150.1 | 165.9 | 9 | -111.4 | 151.4 | 0 | 0 | 0 | 111.8 | ||||
| 138 | F | 28 | Very low | 30.7 | Very low | 196 Ų | 196 | 128.7 Ų | 128.7 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | trans | -90.4 | -174.2 | 178.5 | -81.5 | -92.2 | 0 | 0 | 0 | 113.2 | ||||
| 139 | P | 44.7 | Very low | 30.7 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | cis | -124.3 | -171.7 | -24.2 | 21.4 | 3.1 | 0 | 0 | 0 | 111.8 | ||||
| 140 | G | 28.5 | Very low | 30.7 | Very low | 64 Ų | 64 | 127 Ų | 127 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | cis | 148.6 | 163.2 | -6.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 141 | L | 29.6 | Very low | 30.8 | Very low | 176 Ų | 176 | 128.1 Ų | 128.1 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | trans | 65.8 | 157.6 | 166.3 | -57 | 177 | 0 | 0 | 0 | 118.2 | ||||
| 142 | H | 29.1 | Very low | 30.9 | Very low | 139 Ų | 139 | 128.2 Ų | 128.2 | 64% | 0.644 | 77% | 0.769 | S | S | * | * | cis | -162.7 | 114.7 | -26.4 | 167.5 | 85.4 | 0 | 0 | 0 | 109.9 | ||||
| 143 | E | 29.8 | Very low | 30.8 | Very low | 139 Ų | 139 | 129.9 Ų | 129.9 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | trans | 57.7 | 154 | 133.2 | -121.1 | -179.7 | 109.3 | 0 | 0 | 124.9 | ||||
| 144 | Q | 32 | Very low | 30.8 | Very low | 154 Ų | 154 | 128.7 Ų | 128.7 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | trans | 66 | 102.5 | 157.3 | -54.3 | -161.5 | 21.9 | 0 | 0 | 123.3 | ||||
| 145 | A | 26.7 | Very low | 30.8 | Very low | 96 Ų | 96 | 132 Ų | 132 | 79% | 0.793 | 76% | 0.762 | S | S | * | * | 81.8 | 155.4 | 113.7 | 0 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 146 | A | 28.3 | Very low | 30.5 | Very low | 88 Ų | 88 | 129.6 Ų | 129.6 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | 75 | 89.3 | 149.9 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 147 | S | 28.9 | Very low | 30.5 | Very low | 101 Ų | 101 | 131.3 Ų | 131.3 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | 96.2 | 150 | 108.5 | 80.8 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 148 | H | 31.2 | Very low | 30.4 | Very low | 183 Ų | 183 | 133.1 Ų | 133.1 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | trans | 71.9 | 163.2 | 152.9 | -70.7 | -60.8 | 0 | 0 | 0 | 122.9 | ||||
| 149 | A | 26.4 | Very low | 31 | Very low | 96 Ų | 96 | 134.3 Ų | 134.3 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | trans | 78.4 | 82.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 150 | S | 29.1 | Very low | 30.5 | Very low | 121 Ų | 121 | 137 Ų | 137 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | -44.3 | 158.7 | 153.1 | -34.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 151 | S | 32.1 | Very low | 30.6 | Very low | 101 Ų | 101 | 137.2 Ų | 137.2 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | -173.1 | 148.6 | 123.3 | 49 | 0 | 0 | 0 | 0 | 114 | |||||
| 152 | N | 30.4 | Very low | 30.7 | Very low | 153 Ų | 153 | 138.1 Ų | 138.1 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | 47.6 | 157.8 | 138.6 | -60.5 | -11.1 | 0 | 0 | 0 | 123 | ||||
| 153 | V | 30.2 | Very low | 30.9 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | cis | -174.3 | 133.7 | -41.9 | 118.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 154 | V | 32.6 | Very low | 31 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | trans | 69 | 129.2 | 155.8 | 169.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 155 | N | 29.8 | Very low | 31.1 | Very low | 141 Ų | 141 | 133.7 Ų | 133.7 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | 41.6 | 133.6 | 152.3 | -58 | -8.1 | 0 | 0 | 0 | 120.7 | ||||
| 156 | S | 28.9 | Very low | 31.4 | Very low | 112 Ų | 112 | 136 Ų | 136 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | -165.7 | 168.6 | 65.5 | -67.5 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 157 | Q | 31.4 | Very low | 31.7 | Very low | 182 Ų | 182 | 142.3 Ų | 142.3 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | trans | -22.2 | 148.8 | 166.2 | -57.8 | 169.2 | -18.4 | 0 | 0 | 118.9 | ||||
| 158 | M | 31.4 | Very low | 31.8 | Very low | 195 Ų | 195 | 140.8 Ų | 140.8 | 96% | 0.961 | 79% | 0.79 | S | S | * | * | -159.7 | 172 | 111 | -107.8 | -179.4 | -167.1 | 0 | 0 | 113.2 | |||||
| 159 | R | 39.8 | Very low | 31.7 | Very low | 220 Ų | 220 | 143.9 Ų | 143.9 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | trans | -144.2 | 133 | -161.6 | 178.9 | -169.7 | -176.2 | -150.6 | 4 | 111.5 | ||||
| 160 | L | 34.2 | Very low | 31.8 | Very low | 181 Ų | 181 | 143.1 Ų | 143.1 | 95% | 0.948 | 79% | 0.788 | S | S | * | * | trans | -143.4 | 147.6 | 171.2 | -60.5 | 171.5 | 0 | 0 | 0 | 107.4 | ||||
| 161 | G | 30.1 | Very low | 31.9 | Very low | 70 Ų | 70 | 144.7 Ų | 144.7 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | cis | -160.7 | 178 | -5.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 162 | F | 31.8 | Very low | 32 | Very low | 195 Ų | 195 | 148.1 Ų | 148.1 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | -83.4 | 170.8 | -178.3 | -70.5 | -93.7 | 0 | 0 | 0 | 112 | ||||
| 163 | T | 32.8 | Very low | 32 | Very low | 133 Ų | 133 | 151.5 Ų | 151.5 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | cis | -135.2 | 172.9 | 30.5 | 59.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 164 | G | 33.5 | Very low | 32 | Very low | 52 Ų | 52 | 150 Ų | 150 | 54% | 0.536 | 80% | 0.795 | S | S | . | * | cis | 90.6 | 132 | 26.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 165 | D | 34.1 | Very low | 32.1 | Very low | 153 Ų | 153 | 153.6 Ų | 153.6 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | cis | -165.3 | -177.9 | 4.2 | -100.6 | -74.3 | 0 | 0 | 0 | 108.6 | ||||
| 166 | M | 32.5 | Very low | 32.1 | Very low | 144 Ų | 144 | 153 Ų | 153 | 71% | 0.709 | 81% | 0.805 | S | S | * | * | cis | -164 | -179 | 8.9 | -130 | -70.8 | 172.4 | 0 | 0 | 111.2 | ||||
| 167 | Y | 34.2 | Very low | 32.1 | Very low | 221 Ų | 221 | 153.5 Ų | 153.5 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | 68.5 | 142.6 | 171.5 | -56.3 | -75.4 | 0 | 0 | 0 | 119.1 | ||||
| 168 | G | 30.4 | Very low | 32.1 | Very low | 69 Ų | 69 | 149.7 Ų | 149.7 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | cis | 174.3 | 161.9 | -9.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 169 | R | 29.4 | Very low | 32.6 | Very low | 248 Ų | 248 | 146.5 Ų | 146.5 | 94% | 0.936 | 79% | 0.791 | S | S | * | * | trans | 73.6 | 152.6 | 172.9 | -154.6 | 167.6 | -173.1 | 116.6 | 4.3 | 118.1 | ||||
| 170 | A | 30 | Very low | 32.2 | Very low | 80 Ų | 80 | 146.4 Ų | 146.4 | 66% | 0.661 | 79% | 0.79 | S | S | * | * | trans | -148.1 | 173.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 171 | D | 30.5 | Very low | 32.2 | Very low | 155 Ų | 155 | 142.9 Ų | 142.9 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | trans | -142.4 | 162.7 | 159 | -97.5 | -52.7 | 0 | 0 | 0 | 110.8 | ||||
| 172 | Q | 33.8 | Very low | 32.1 | Very low | 172 Ų | 172 | 146.5 Ų | 146.5 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -123.1 | -156.4 | -166.5 | -62.9 | -175.8 | -20.5 | 0 | 0 | 112.8 | ||||
| 173 | Y | 30.2 | Very low | 32.1 | Very low | 224 Ų | 224 | 144.9 Ų | 144.9 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | trans | 77.9 | 136.8 | -177.1 | -59.9 | -84.5 | 0 | 0 | 0 | 115.6 | ||||
| 174 | A | 29.7 | Very low | 32 | Very low | 89 Ų | 89 | 149.3 Ų | 149.3 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | cis | -153.6 | 166.5 | -11.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 175 | H | 36.6 | Very low | 31.9 | Very low | 190 Ų | 190 | 150.4 Ų | 150.4 | 88% | 0.88 | 79% | 0.786 | S | S | * | * | trans | -130.2 | 105.8 | -172.5 | -160.7 | -53.8 | 0 | 0 | 0 | 110.7 | ||||
| 176 | V | 29.4 | Very low | 31.6 | Very low | 128 Ų | 128 | 148.8 Ų | 148.8 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | -138.7 | 116.9 | -176.8 | -177.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 177 | T | 28.3 | Very low | 31.6 | Very low | 123 Ų | 123 | 147.8 Ų | 147.8 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | 11.6 | 136.5 | 160.1 | 59.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 178 | S | 32.6 | Very low | 31.6 | Very low | 102 Ų | 102 | 145 Ų | 145 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | trans | -75.8 | 161.1 | 151.9 | 142.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 179 | P | 41.9 | Very low | 31.6 | Very low | 127 Ų | 127 | 150.1 Ų | 150.1 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -118.2 | 178.7 | 135.7 | 36.4 | -32.2 | 0 | 0 | 0 | 112.8 | ||||
| 180 | R | 30.9 | Very low | 31.9 | Very low | 219 Ų | 219 | 146.7 Ų | 146.7 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | -147.1 | 131.9 | -159.5 | 168.8 | -169.7 | -176 | 153 | 0.7 | 110.7 | ||||
| 181 | S | 32.9 | Very low | 32 | Very low | 106 Ų | 106 | 145.8 Ų | 145.8 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | 169.2 | 152.4 | 162 | 47.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 182 | D | 27.8 | Very low | 32.1 | Very low | 147 Ų | 147 | 149.7 Ų | 149.7 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | cis | -150.5 | 175.9 | -18.8 | -118.7 | -48.3 | 0 | 0 | 0 | 112.8 | ||||
| 183 | H | 33.6 | Very low | 32 | Very low | 160 Ų | 160 | 144.4 Ų | 144.4 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | -84.4 | 153.6 | -171.8 | -64.5 | -98.9 | 0 | 0 | 0 | 115.5 | ||||
| 184 | Y | 30.1 | Very low | 32.3 | Very low | 227 Ų | 227 | 140.1 Ų | 140.1 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | trans | -142.7 | 150.9 | 144.3 | -147.7 | -97 | 0 | 0 | 0 | 111.9 | ||||
| 185 | A | 31.3 | Very low | 32.6 | Very low | 75 Ų | 75 | 144.4 Ų | 144.4 | 62% | 0.62 | 79% | 0.794 | S | S | * | * | trans | -71 | 143.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 186 | S | 28.6 | Very low | 32.6 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | 64.9 | 99 | 53.1 | -69.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 187 | S | 31.1 | Very low | 33.2 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | -122.1 | 109.3 | 157.6 | 46.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 188 | Q | 34.4 | Very low | 33.5 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -87.9 | 139.9 | 178 | -71.3 | 174 | -49.3 | 0 | 0 | 110.7 | ||||
| 189 | L | 31.7 | Very low | 33.8 | Very low | 178 Ų | 178 | 148.8 Ų | 148.8 | 93% | 0.932 | 80% | 0.8 | S | S | * | * | trans | -122.1 | 132.8 | 149.4 | -82.3 | 171.7 | 0 | 0 | 0 | 108 | ||||
| 190 | H | 34.9 | Very low | 33.7 | Very low | 175 Ų | 175 | 147.6 Ų | 147.6 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | -77.7 | 161.1 | -171.5 | -69.2 | -120.8 | 0 | 0 | 0 | 111.6 | ||||
| 191 | G | 32.9 | Very low | 34 | Very low | 62 Ų | 62 | 140.8 Ų | 140.8 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | trans | -177.2 | -48.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 192 | Y | 31.1 | Very low | 34 | Very low | 237 Ų | 237 | 144 Ų | 144 | 93% | 0.929 | 79% | 0.794 | S | S | * | * | trans | -138.1 | 135.8 | -169.8 | -67.8 | -80 | 0 | 0 | 0 | 112.9 | ||||
| 193 | G | 32.5 | Very low | 34.7 | Very low | 60 Ų | 60 | 144.9 Ų | 144.9 | 62% | 0.619 | 79% | 0.793 | S | S | * | * | trans | -75.1 | 163.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | M195 | G193-M195 PolarHBondContact O-N 3.32Š| ||
| 194 | P | 35.3 | Very low | 34.7 | Very low | 135 Ų | 135 | 140 Ų | 140 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | trans | -70.2 | 102.3 | -177.3 | 28.9 | -34.5 | 0 | 0 | 0 | 111.4 | N196 | P194-N196 PolarHBondContact O-N 2.9Š| ||
| 195 | M | 37.5 | Very low | 35.3 | Very low | 178 Ų | 178 | 133.3 Ų | 133.3 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | -65.9 | 127.1 | 169.4 | -74 | -66.8 | -177.3 | 0 | 0 | 110.1 | G193 M197 | G193-M195 PolarHBondContact O-N 3.32Å; M195-M197 PolarHBondContact O-N 2.99Å | ||
| 196 | N | 35.8 | Very low | 35.7 | Very low | 142 Ų | 142 | 131.9 Ų | 131.9 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | trans | -61.4 | 105.8 | -172 | -177.4 | 4.7 | 0 | 0 | 0 | 112.5 | P194 N198 | P194-N196 PolarHBondContact O-N 2.9Å; N196-N198 PolarHBondContact O-N 2.77Å; N196-N198 WeakPolarHBondContact OD1-CB 3.44Å | ||
| 197 | M | 41.2 | Very low | 36.4 | Very low | 186 Ų | 186 | 127.8 Ų | 127.8 | 92% | 0.916 | 74% | 0.744 | S | S | * | * | trans | -75.7 | 63.2 | 175.5 | -85.6 | -72.2 | -177 | 0 | 0 | 112 | M195 | M195-M197 PolarHBondContact O-N 2.99Š| ||
| 198 | N | 36.6 | Very low | 37 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 65% | 0.652 | 73% | 0.731 | S | S | * | * | trans | -140.8 | 50.8 | 178.9 | -154.4 | 1.4 | 0 | 0 | 0 | 114.3 | N196 | N196-N198 PolarHBondContact O-N 2.77Å; N196-N198 WeakPolarHBondContact OD1-CB 3.44Å | ||
| 199 | M | 38.4 | Very low | 37.4 | Very low | 186 Ų | 186 | 127.4 Ų | 127.4 | 92% | 0.916 | 72% | 0.724 | S | S | * | * | trans | -128.1 | 21.9 | 163.6 | -80.2 | -167.3 | 168.2 | 0 | 0 | 113 | A201 | M199-A201 PolarHBondContact O-N 3.17Š| ||
| 200 | A | 39.3 | Very low | 37.9 | Very low | 102 Ų | 102 | 128.7 Ų | 128.7 | 84% | 0.843 | 72% | 0.717 | S | S | * | * | trans | -94.3 | 50.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 201 | A | 36.3 | Very low | 38 | Very low | 76 Ų | 76 | 129.7 Ų | 129.7 | 63% | 0.628 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -137.7 | -28.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | M199 | M199-A201 PolarHBondContact O-N 3.17Š|
| 202 | H | 34.5 | Very low | 38.5 | Very low | 172 Ų | 172 | 131.9 Ų | 131.9 | 80% | 0.796 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -126.1 | 21.2 | -164.7 | -73.4 | -58.8 | 0 | 0 | 0 | 117 | ||
| 203 | H | 41.3 | Very low | 39 | Very low | 167 Ų | 167 | 131 Ų | 131 | 77% | 0.773 | 71% | 0.705 | S | S | * | * | trans | -115.3 | 59.4 | 174.1 | -67.2 | -32.4 | 0 | 0 | 0 | 113.3 | A207 | H203-A207 HydrophobicContact CB-CB 4.15Š| ||
| 204 | G | 33.8 | Very low | 39.2 | Very low | 57 Ų | 57 | 135 Ų | 135 | 59% | 0.588 | 71% | 0.708 | S | S | * | * | trans | -61.5 | 167.7 | 159.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G206 A207 | G204-G206 PolarHBondContact O-N 3.09Å; G204-A207 PolarHBondContact O-N 2.69Å | ||
| 205 | A | 42.7 | Very low | 39.5 | Very low | 87 Ų | 87 | 133.8 Ų | 133.8 | 72% | 0.719 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.5 | -21.5 | -166.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | A207 F209 | A205-A207 VanDerWaalsContact C-N 3.25Å; A205-A207 PolarHBondContact O-N 2.85Å; A205-F209 WeakPolarHBondContact O-CD2 3.42Å |
| 206 | G | 39.4 | Very low | 40 | Very low | 45 Ų | 45 | 133 Ų | 133 | 46% | 0.464 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -63.3 | -21.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | G204 F208 F209 R210 | G204-G206 PolarHBondContact O-N 3.09Å; G206-F208 VanDerWaalsContact C-N 3.32Å; G206-F208 PolarHBondContact O-N 3Å; G206-F209 PolarHBondContact O-N 3.22Å; G206-R210 PolarHBondContact O-N 3.43Å |
| 207 | A | 42.8 | Very low | 40.6 | Very low | 32 Ų | 32 | 134.8 Ų | 134.8 | 26% | 0.264 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -62.5 | -37.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | H203 G204 A205 F209 R210 | H203-A207 HydrophobicContact CB-CB 4.15Å; G204-A207 PolarHBondContact O-N 2.69Å; A205-A207 VanDerWaalsContact C-N 3.25Å; A205-A207 PolarHBondContact O-N 2.85Å; A207-F209 VanDerWaalsContact C-N 3.28Å; A207-F209 PolarHBondContact O-N 3.42Å; A207-R210 PolarHBondContact O-N 3.2Å |
| 208 | F | 43.8 | Very low | 41.4 | Very low | 134 Ų | 134 | 130.9 Ų | 130.9 | 59% | 0.588 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -61 | -36.9 | 176.8 | -167.2 | -95.7 | 0 | 0 | 0 | 112 | G206 M212 | G206-F208 VanDerWaalsContact C-N 3.32Å; G206-F208 PolarHBondContact O-N 3Å; F208-M212 HydrophobicContact CD1-CG 4.46Å; F208-M212 HydrophobicContact CE1-CG 4.43Å; F208-M212 WeakPolarHBondContact O-CG 3.21Å; F208-M212 PolarHBondContact O-N 3.36Å |
| 209 | F | 43 | Very low | 43.1 | Very low | 142 Ų | 142 | 131.4 Ų | 131.4 | 62% | 0.623 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -76.1 | -20.1 | 179.1 | -66.6 | -81.9 | 0 | 0 | 0 | 114 | A205 G206 A207 M212 | A205-F209 WeakPolarHBondContact O-CD2 3.42Å; G206-F209 PolarHBondContact O-N 3.22Å; A207-F209 VanDerWaalsContact C-N 3.28Å; A207-F209 PolarHBondContact O-N 3.42Å; F209-M212 PolarHBondContact O-N 3.36Å |
| 210 | R | 41.9 | Very low | 44.9 | Very low | 206 Ų | 206 | 123.1 Ų | 123.1 | 78% | 0.777 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.9 | -39.3 | 175.2 | -68.9 | -176.8 | -179.9 | 173.6 | 0.1 | 111.8 | G206 A207 M212 R213 | G206-R210 PolarHBondContact O-N 3.43Å; A207-R210 PolarHBondContact O-N 3.2Å; R210-M212 VanDerWaalsContact C-N 3.33Å; R210-R213 PolarHBondContact O-N 2.59Å; R210-R213 VanDerWaalsContact O-N 3.17Å |
| 211 | Y | 38.3 | Very low | 46.7 | Very low | 195 Ų | 195 | 121.8 Ų | 121.8 | 77% | 0.765 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70.7 | -27.2 | 172.6 | -90.3 | -81.9 | 0 | 0 | 0 | 113.3 | R213 | Y211-R213 PolarHBondContact O-N 3.19Å |
| 212 | M | 43.8 | Very low | 48.7 | Very low | 109 Ų | 109 | 118.1 Ų | 118.1 | 54% | 0.537 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.1 | 1.8 | 169.9 | -65.4 | -73.8 | -67.9 | 0 | 0 | 113.7 | F208 F209 R210 | F208-M212 HydrophobicContact CD1-CG 4.46Å; F208-M212 HydrophobicContact CE1-CG 4.43Å; F208-M212 WeakPolarHBondContact O-CG 3.21Å; F208-M212 PolarHBondContact O-N 3.36Å; F209-M212 PolarHBondContact O-N 3.36Å; R210-M212 VanDerWaalsContact C-N 3.33Å |
| 213 | R | 40.5 | Very low | 50.7 | Low | 218 Ų | 218 | 113.3 Ų | 113.3 | 82% | 0.823 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.6 | 14.1 | -174.2 | -120.6 | -172.2 | -161.8 | -133.4 | 6.9 | 114.9 | R210 Y211 P215 | R210-R213 PolarHBondContact O-N 2.59Å; R210-R213 VanDerWaalsContact O-N 3.17Å; Y211-R213 PolarHBondContact O-N 3.19Å; R213-P215 VanDerWaalsContact O-CD 3.3Å; R213-P215 WeakPolarHBondContact O-CD 3.31Å |
| 214 | Q | 36.3 | Very low | 52.3 | Low | 144 Ų | 144 | 105.6 Ų | 105.6 | 67% | 0.673 | 52% | 0.524 | S | S | * | . | trans | -86.8 | 110.8 | 166.9 | -73.2 | -172.9 | -20.8 | 0 | 0 | 109.6 | I216 | Q214-I216 PolarHBondContact O-N 3.2Š| ||
| 215 | P | 42.4 | Very low | 54.2 | Low | 110 Ų | 110 | 104.8 Ų | 104.8 | 71% | 0.714 | 51% | 0.508 | S | S | * | . | trans | -78.6 | 87.7 | 178.4 | 33 | -34.3 | 0 | 0 | 0 | 110.1 | R213 K217 | R213-P215 VanDerWaalsContact O-CD 3.3Å; R213-P215 WeakPolarHBondContact O-CD 3.31Å; P215-K217 VanDerWaalsContact C-N 3.34Å; P215-K217 PolarHBondContact O-N 3.39Å; P215-K217 VanDerWaalsContact O-N 3.09Å | ||
| 216 | I | 47.3 | Very low | 55.2 | Low | 160 Ų | 160 | 103.8 Ų | 103.8 | 82% | 0.821 | 49% | 0.488 | S | S | * | . | trans | -60.3 | 109.2 | 144.5 | -59.9 | 177 | 0 | 0 | 0 | 104.6 | Q214 Q218 | Q214-I216 PolarHBondContact O-N 3.2Å; I216-Q218 PolarHBondContact O-N 2.97Å | ||
| 217 | K | 48.7 | Very low | 56.1 | Low | 180 Ų | 180 | 105.1 Ų | 105.1 | 78% | 0.783 | 49% | 0.489 | S | S | * | . | trans | -72.5 | 64.1 | -178.1 | -65.5 | -173.9 | -179.6 | -176.8 | 0 | 111 | P215 E219 | P215-K217 VanDerWaalsContact C-N 3.34Å; P215-K217 PolarHBondContact O-N 3.39Å; P215-K217 VanDerWaalsContact O-N 3.09Å; K217-E219 PolarHBondContact O-N 3.32Å; K217-E219 VanDerWaalsContact O-N 3.17Å | ||
| 218 | Q | 59 | Low | 56.8 | Low | 104 Ų | 104 | 111.5 Ų | 111.5 | 49% | 0.486 | 51% | 0.513 | S | S | . | . | trans | -76.2 | 97.4 | 164.9 | -171.3 | -174.3 | -6.1 | 0 | 0 | 107.2 | I216 L220 T292 | I216-Q218 PolarHBondContact O-N 2.97Å; Q218-L220 PolarHBondContact O-N 3.16Å; Q218-L220 VanDerWaalsContact O-N 3.16Å; Q218-T292 PolarHBondContact NE2-O 3.33Å | ||
| 219 | E | 70.6 | Confident | 57.1 | Low | 134 Ų | 134 | 107 Ų | 107 | 63% | 0.626 | 49% | 0.494 | S | S | * | . | trans | -64.8 | 115.3 | 179.2 | -63.4 | -175.6 | 172 | 0 | 0 | 109.7 | K217 I221 | K217-E219 PolarHBondContact O-N 3.32Å; K217-E219 VanDerWaalsContact O-N 3.17Å; E219-I221 PolarHBondContact O-N 2.85Å; E219-I221 VanDerWaalsContact O-N 3.14Å | ||
| 220 | L | 76.4 | Confident | 57.6 | Low | 11 Ų | 11 | 107.8 Ų | 107.8 | 6% | 0.058 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 87.5 | -176.3 | -66.2 | 173.5 | 0 | 0 | 0 | 108.8 | Q218 C222 F241 T243 M244 L247 T292 | Q218-L220 PolarHBondContact O-N 3.16Å; Q218-L220 VanDerWaalsContact O-N 3.16Å; L220-C222 PolarHBondContact O-N 3.14Å; L220-F241 HydrophobicContact CB-CB 4.24Å; L220-F241 WeakPolarHBondContact CB-O 3.49Å; L220-F241 PolarHBondContact N-O 2.96Å; L220-F241 PolarHBondContact O-N 3.06Å; L220-T243 VanDerWaalsContact CD1-C 3.43Å; L220-M244 HydrophobicContact CD1-CB 4.13Å; L220-M244 HydrophobicContact CD1-CE 4.01Å; L220-M244 VanDerWaalsContact CD1-N 3.28Å; L220-M244 HydrophobicContact CD2-CE 4.13Å; L220-L247 HydrophobicContact CB-CD2 4.18Å; L220-T292 HydrophobicContact CD2-CG2 4.14Å |
| 221 | I | 77.3 | Confident | 58.1 | Low | 74 Ų | 74 | 103.5 Ų | 103.5 | 38% | 0.379 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 119.6 | 179.1 | -40.5 | -173.6 | 0 | 0 | 0 | 109.2 | E219 K223 T240 W268 | E219-I221 PolarHBondContact O-N 2.85Å; E219-I221 VanDerWaalsContact O-N 3.14Å; I221-K223 HydrophobicContact CG2-CG 4.44Å; I221-T240 HydrophobicContact CG1-CG2 4.25Å; I221-T240 HydrophobicContact CG2-CG2 4.43Å; I221-W268 WeakPolarHBondContact O-CH2 3.49Å; I221-W268 WeakPolarHBondContact O-CZ2 3.41Å |
| 222 | C | 79.8 | Confident | 58.7 | Low | 0 Ų | 0 | 97.7 Ų | 97.7 | 0% | 0 | 49% | 0.488 | C | S | . | . | trans | -69.3 | 135.2 | 162.4 | -167.5 | 0 | 0 | 0 | 0 | 108.6 | L220 C237 N238 K239 F241 L247 H250 | L220-C222 PolarHBondContact O-N 3.14Å; C222-C237 CarbonylContact C-O 3.16Å; C222-N238 WeakPolarHBondContact O-CA 3.25Å; C222-K239 WeakPolarHBondContact CB-O 3.34Å; C222-K239 PolarHBondContact N-O 3.17Å; C222-F241 HydrophobicContact CB-CE2 4.07Å; C222-L247 HydrophobicContact CB-CD1 3.69Å; C222-H250 PolarHBondContact SG-NE2 3.49Å; C222-H250 VanDerWaalsContact SG-NE2 3.41Å | ||
| 223 | K | 76.1 | Confident | 58.9 | Low | 70 Ų | 70 | 98 Ų | 98 | 30% | 0.304 | 50% | 0.498 | S | S | . | . | trans | -130.5 | 60.8 | 175 | -81.4 | 170.4 | 149.1 | -90.3 | 0 | 109.1 | I221 C237 W268 E269 | I221-K223 HydrophobicContact CG2-CG 4.44Å; K223-C237 WeakPolarHBondContact CA-O 3.32Å; K223-W268 HydrophobicContact CB-CD2 4.22Å; K223-W268 HydrophobicContact CB-CZ2 3.96Å; K223-W268 WeakPolarHBondContact O-CA 3.42Å; K223-E269 HydrophobicContact CB-CG 4.26Å; K223-E269 WeakPolarHBondContact CD-OE2 3.28Å; K223-E269 WeakPolarHBondContact CG-OE2 3.32Å; K223-E269 IonicContact NZ-OE2 3.21Å; K223-E269 PolarHBondContact NZ-OE2 2.95Å; K223-E269 PolarHBondContact O-N 2.82Å | ||
| 224 | W | 73.9 | Confident | 59.4 | Low | 6 Ų | 6 | 96.2 Ų | 96.2 | 2% | 0.023 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 134.5 | -172.4 | -174.4 | -80 | 0 | 0 | 0 | 112.1 | A236 C237 L251 H255 V256 I265 C266 F267 | W224-A236 CarbonylContact O-C 3.6Å; W224-A236 WeakPolarHBondContact O-CA 3.46Å; W224-C237 HydrophobicContact CB-CB 4.36Å; W224-C237 PolarHBondContact N-O 3.38Å; W224-C237 PolarHBondContact O-N 3.29Å; W224-L251 HydrophobicContact CB-CD1 4.11Å; W224-L251 HydrophobicContact CD2-CD1 3.72Å; W224-L251 HydrophobicContact CE3-CD1 3.36Å; W224-L251 HydrophobicContact CE3-CD2 4.13Å; W224-L251 HydrophobicContact CE3-CG 4.13Å; W224-L251 HydrophobicContact CG-CD1 4.07Å; W224-L251 HydrophobicContact CH2-CD2 4.49Å; W224-L251 HydrophobicContact CZ3-CD1 3.83Å; W224-L251 HydrophobicContact CZ3-CD2 3.79Å; W224-L251 HydrophobicContact CZ3-CG 4.09Å; W224-H255 AromaticContact CD1-CD2 3.89Å; W224-H255 AromaticContact CD1-CG 3.52Å; W224-H255 AromaticContact CD1-ND1 3.61Å; W224-H255 HydrophobicContact CD2-CB 4.03Å; W224-H255 HydrophobicContact CG-CB 4.13Å; W224-H255 AromaticContact CG-CD2 3.85Å; W224-H255 AromaticContact CG-CG 3.85Å; W224-H255 HydrophobicContact CZ2-CB 3.92Å; W224-H255 AromaticContact NE1-CG 3.76Å; W224-H255 AromaticContact NE1-ND1 3.96Å; W224-V256 HydrophobicContact CH2-CG2 4.29Å; W224-I265 VanDerWaalsContact CH2-O 3.28Å; W224-I265 WeakPolarHBondContact CH2-O 3.46Å; W224-C266 HydrophobicContact CZ3-CB 4.41Å; W224-F267 CarbonylContact C-O 3.49Å; W224-F267 WeakPolarHBondContact CA-O 3.41Å; W224-F267 HydrophobicContact CD2-CB 4.3Å; W224-F267 HydrophobicContact CH2-CD2 4.41Å; W224-F267 HydrophobicContact CZ2-CB 4.34Å; W224-F267 AromaticContact CZ2-CD2 3.71Å; W224-F267 HydrophobicContact CZ2-CD2 3.71Å |
| 225 | V | 73.4 | Confident | 60.3 | Low | 39 Ų | 39 | 94 Ų | 94 | 24% | 0.236 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 132.8 | -178.1 | -173.9 | 0 | 0 | 0 | 0 | 110.5 | F267 E269 | V225-F267 PolarHBondContact N-O 3.45Å; V225-F267 VanDerWaalsContact O-CB 3.28Å; V225-F267 WeakPolarHBondContact O-CB 3.39Å; V225-E269 HydrophobicContact CG2-CG 3.8Å |
| 226 | E | 64.5 | Low | 61.5 | Low | 66 Ų | 66 | 90.3 Ų | 90.3 | 31% | 0.308 | 46% | 0.463 | S | S | . | . | trans | -80 | 126.5 | 177.4 | -70 | -176.8 | 172.2 | 0 | 0 | 112.3 | E228 Q229 K235 | E226-E228 VanDerWaalsContact C-N 3.31Å; E226-E228 PolarHBondContact O-N 2.9Å; E226-Q229 HydrophobicContact CB-CG 4.24Å; E226-Q229 PolarHBondContact O-N 3.45Å; E226-Q229 VanDerWaalsContact O-N 3.1Å; E226-K235 PolarHBondContact N-O 3.49Å; E226-K235 WeakPolarHBondContact OE2-CD 3.45Å; E226-K235 IonicContact OE2-NZ 2.68Å | ||
| 227 | P | 59.4 | Low | 62.8 | Low | 73 Ų | 73 | 83.5 Ų | 83.5 | 47% | 0.474 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -60 | -33.8 | -175.2 | -28.5 | 37 | 0 | 0 | 0 | 115.2 | Q229 F267 | P227-Q229 PolarHBondContact O-N 3.17Å; P227-F267 HydrophobicContact CB-CZ 4.37Å; P227-F267 HydrophobicContact CG-CD1 4.29Å; P227-F267 HydrophobicContact CG-CD2 3.69Å; P227-F267 HydrophobicContact CG-CE1 3.99Å; P227-F267 HydrophobicContact CG-CE2 3.35Å; P227-F267 HydrophobicContact CG-CG 4.15Å; P227-F267 HydrophobicContact CG-CZ 3.5Å; P227-F267 VanDerWaalsContact CG-CZ 3.5Å |
| 228 | E | 57.3 | Low | 64.1 | Low | 167 Ų | 167 | 79.3 Ų | 79.3 | 78% | 0.78 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -69.3 | -0.4 | 178.9 | -63.6 | -169 | 144 | 0 | 0 | 113.8 | E226 | E226-E228 VanDerWaalsContact C-N 3.31Å; E226-E228 PolarHBondContact O-N 2.9Å |
| 229 | Q | 48.9 | Very low | 65.1 | Low | 40 Ų | 40 | 79 Ų | 79 | 19% | 0.187 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -119.9 | 16.8 | -174.6 | -56.4 | -66.4 | -75.2 | 0 | 0 | 113 | E226 P227 S231 N232 K235 | E226-Q229 HydrophobicContact CB-CG 4.24Å; E226-Q229 PolarHBondContact O-N 3.45Å; E226-Q229 VanDerWaalsContact O-N 3.1Å; P227-Q229 PolarHBondContact O-N 3.17Å; Q229-S231 PolarHBondContact O-N 3.23Å; Q229-N232 CarbonylContact O-C 3.56Å; Q229-N232 PolarHBondContact O-N 3.19Å; Q229-N232 VanDerWaalsContact O-O 3.05Å; Q229-K235 HydrophobicContact CB-CB 4.47Å; Q229-K235 HydrophobicContact CG-CB 4Å; Q229-K235 HydrophobicContact CG-CD 3.72Å; Q229-K235 HydrophobicContact CG-CG 3.94Å |
| 230 | L | 53.1 | Low | 65.4 | Low | 157 Ų | 157 | 76.7 Ų | 76.7 | 82% | 0.822 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -10.2 | 178.1 | -139.5 | 73.5 | 0 | 0 | 0 | 114 | ||
| 231 | S | 52.8 | Low | 65.6 | Low | 117 Ų | 117 | 77.9 Ų | 77.9 | 82% | 0.818 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -11.4 | 170.3 | 56.1 | 0 | 0 | 0 | 0 | 114.6 | Q229 | Q229-S231 PolarHBondContact O-N 3.23Š|
| 232 | N | 50.4 | Low | 65.4 | Low | 73 Ų | 73 | 79 Ų | 79 | 39% | 0.39 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -154.4 | 93.5 | -178.5 | -177.1 | 11.2 | 0 | 0 | 0 | 109.8 | Q229 K234 | Q229-N232 CarbonylContact O-C 3.56Å; Q229-N232 PolarHBondContact O-N 3.19Å; Q229-N232 VanDerWaalsContact O-O 3.05Å; N232-K234 PolarHBondContact O-N 2.66Å; N232-K234 WeakPolarHBondContact OD1-CG 3.34Å |
| 233 | P | 49.6 | Very low | 65.2 | Low | 115 Ų | 115 | 81.8 Ų | 81.8 | 75% | 0.747 | 44% | 0.444 | S | S | * | . | trans | -75.6 | 37.5 | -163.1 | 32 | -38.4 | 0 | 0 | 0 | 115.1 | ||||
| 234 | K | 49.5 | Very low | 65 | Low | 181 Ų | 181 | 79.1 Ų | 79.1 | 79% | 0.787 | 43% | 0.433 | S | S | * | . | trans | -98.9 | 0.5 | -173.6 | -66.1 | -175.2 | -179.4 | -177.4 | 0 | 114.8 | N232 | N232-K234 PolarHBondContact O-N 2.66Å; N232-K234 WeakPolarHBondContact OD1-CG 3.34Å | ||
| 235 | K | 56.5 | Low | 65 | Low | 98 Ų | 98 | 84.7 Ų | 84.7 | 43% | 0.426 | 46% | 0.459 | S | S | . | . | trans | -113.2 | 66.6 | 171.7 | -55.1 | -166 | -160.3 | 155.5 | 0 | 111.6 | E226 Q229 | E226-K235 PolarHBondContact N-O 3.49Å; E226-K235 WeakPolarHBondContact OE2-CD 3.45Å; E226-K235 IonicContact OE2-NZ 2.68Å; Q229-K235 HydrophobicContact CB-CB 4.47Å; Q229-K235 HydrophobicContact CG-CB 4Å; Q229-K235 HydrophobicContact CG-CD 3.72Å; Q229-K235 HydrophobicContact CG-CG 3.94Å | ||
| 236 | A | 67.4 | Low | 65.3 | Low | 32 Ų | 32 | 85.9 Ų | 85.9 | 26% | 0.264 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 122.4 | 162 | 0 | 0 | 0 | 0 | 0 | 108.7 | W224 N238 | W224-A236 CarbonylContact O-C 3.6Å; W224-A236 WeakPolarHBondContact O-CA 3.46Å; A236-N238 PolarHBondContact O-N 3.3Å; A236-N238 PolarHBondContact O-ND2 3.34Å |
| 237 | C | 75 | Confident | 66 | Low | 17 Ų | 17 | 82.8 Ų | 82.8 | 12% | 0.115 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 123.3 | 169.1 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | C222 K223 W224 H250 H255 | C222-C237 CarbonylContact C-O 3.16Å; K223-C237 WeakPolarHBondContact CA-O 3.32Å; W224-C237 HydrophobicContact CB-CB 4.36Å; W224-C237 PolarHBondContact N-O 3.38Å; W224-C237 PolarHBondContact O-N 3.29Å; C237-H250 PolarHBondContact SG-CE1 3.02Å; C237-H250 PolarHBondContact SG-NE2 3.12Å; C237-H255 WeakPolarHBondContact CB-NE2 3.43Å; C237-H255 PolarHBondContact SG-NE2 2.91Å; C237-H255 VanDerWaalsContact SG-NE2 3.37Å |
| 238 | N | 75.9 | Confident | 66.7 | Low | 92 Ų | 92 | 80.4 Ų | 80.4 | 49% | 0.492 | 43% | 0.431 | S | S | . | . | trans | -120.7 | 24.8 | -179.8 | -77.6 | -87.6 | 0 | 0 | 0 | 111.8 | C222 A236 T240 | C222-N238 WeakPolarHBondContact O-CA 3.25Å; A236-N238 PolarHBondContact O-N 3.3Å; A236-N238 PolarHBondContact O-ND2 3.34Å; N238-T240 PolarHBondContact O-N 3.42Å | ||
| 239 | K | 78.9 | Confident | 67.6 | Low | 98 Ų | 98 | 75.2 Ų | 75.2 | 43% | 0.426 | 41% | 0.411 | S | S | . | . | trans | -66.5 | 130.2 | -179.3 | -66.2 | 179.1 | -170.9 | -177.6 | 0 | 110.3 | C222 F241 E254 | C222-K239 WeakPolarHBondContact CB-O 3.34Å; C222-K239 PolarHBondContact N-O 3.17Å; K239-F241 HydrophobicContact CB-CE1 4.47Å; K239-F241 HydrophobicContact CB-CE2 3.57Å; K239-F241 HydrophobicContact CB-CZ 3.49Å; K239-F241 VanDerWaalsContact CB-CZ 3.49Å; K239-F241 HydrophobicContact CD-CZ 4.18Å; K239-F241 HydrophobicContact CG-CZ 4.46Å; K239-F241 WeakPolarHBondContact O-CD2 3.46Å; K239-F241 VanDerWaalsContact O-CE2 3.25Å; K239-F241 WeakPolarHBondContact O-CE2 3.15Å; K239-E254 IonicContact NZ-OE1 3.49Å; K239-E254 PolarHBondContact NZ-OE1 2.97Å; K239-E254 IonicContact NZ-OE2 2.66Å; K239-E254 PolarHBondContact NZ-OE2 2.84Å | ||
| 240 | T | 78.3 | Confident | 69.1 | Low | 85 Ų | 85 | 74 Ų | 74 | 52% | 0.521 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 141.2 | 176.5 | 55.6 | 0 | 0 | 0 | 0 | 111.3 | I221 N238 | I221-T240 HydrophobicContact CG1-CG2 4.25Å; I221-T240 HydrophobicContact CG2-CG2 4.43Å; N238-T240 PolarHBondContact O-N 3.42Å |
| 241 | F | 79.1 | Confident | 70.2 | Confident | 35 Ų | 35 | 66.5 Ų | 66.5 | 15% | 0.154 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 149.6 | -178.1 | -61.6 | -74.4 | 0 | 0 | 0 | 112.7 | L220 C222 K239 E246 L247 H250 | L220-F241 HydrophobicContact CB-CB 4.24Å; L220-F241 WeakPolarHBondContact CB-O 3.49Å; L220-F241 PolarHBondContact N-O 2.96Å; L220-F241 PolarHBondContact O-N 3.06Å; C222-F241 HydrophobicContact CB-CE2 4.07Å; K239-F241 HydrophobicContact CB-CE1 4.47Å; K239-F241 HydrophobicContact CB-CE2 3.57Å; K239-F241 HydrophobicContact CB-CZ 3.49Å; K239-F241 VanDerWaalsContact CB-CZ 3.49Å; K239-F241 HydrophobicContact CD-CZ 4.18Å; K239-F241 HydrophobicContact CG-CZ 4.46Å; K239-F241 WeakPolarHBondContact O-CD2 3.46Å; K239-F241 VanDerWaalsContact O-CE2 3.25Å; K239-F241 WeakPolarHBondContact O-CE2 3.15Å; F241-E246 HydrophobicContact CB-CB 4Å; F241-E246 HydrophobicContact CD1-CB 3.6Å; F241-E246 HydrophobicContact CE1-CB 4.47Å; F241-E246 HydrophobicContact CG-CB 4.09Å; F241-L247 HydrophobicContact CB-CB 4.09Å; F241-L247 HydrophobicContact CD2-CB 3.87Å; F241-L247 HydrophobicContact CD2-CD1 3.68Å; F241-L247 HydrophobicContact CD2-CG 4.37Å; F241-L247 HydrophobicContact CE2-CD1 3.95Å; F241-L247 HydrophobicContact CG-CB 4.1Å; F241-H250 HydrophobicContact CE1-CB 3.87Å; F241-H250 HydrophobicContact CE2-CB 4.11Å; F241-H250 AromaticContact CE2-CD2 3.28Å; F241-H250 WeakPolarHBondContact CE2-CD2 3.47Å; F241-H250 AromaticContact CE2-CG 3.79Å; F241-H250 HydrophobicContact CZ-CB 3.44Å; F241-H250 VanDerWaalsContact CZ-CB 3.44Å; F241-H250 AromaticContact CZ-CD2 3.32Å; F241-H250 WeakPolarHBondContact CZ-CD2 3.13Å; F241-H250 AromaticContact CZ-CG 3.3Å |
| 242 | S | 72.9 | Confident | 71.1 | Confident | 99 Ų | 99 | 61.2 Ų | 61.2 | 69% | 0.692 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -90.9 | -24.8 | -178.8 | 76.4 | 0 | 0 | 0 | 0 | 112.7 | E246 | S242-E246 WeakPolarHBondContact CA-OE2 3.48Å; S242-E246 WeakPolarHBondContact CB-OE2 3.43Å; S242-E246 PolarHBondContact N-OE2 2.83Å; S242-E246 PolarHBondContact OG-OE1 3.38Å; S242-E246 PolarHBondContact OG-OE2 3.28Å |
| 243 | T | 76.1 | Confident | 72.2 | Confident | 58 Ų | 58 | 62.5 Ų | 62.5 | 36% | 0.356 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -130.7 | 153.9 | 173.5 | 76.1 | 0 | 0 | 0 | 0 | 112.8 | L220 H245 E246 L247 | L220-T243 VanDerWaalsContact CD1-C 3.43Å; T243-H245 PolarHBondContact O-N 2.83Å; T243-H245 PolarHBondContact OG1-N 3.45Å; T243-E246 VanDerWaalsContact CB-OE1 3.31Å; T243-E246 WeakPolarHBondContact CB-OE1 3.18Å; T243-E246 WeakPolarHBondContact CG2-OE1 3.37Å; T243-E246 PolarHBondContact N-OE2 3.47Å; T243-E246 PolarHBondContact O-N 3.36Å; T243-E246 VanDerWaalsContact O-N 3.17Å; T243-E246 PolarHBondContact OG1-N 3.09Å; T243-E246 PolarHBondContact OG1-OE1 3.2Å; T243-L247 PolarHBondContact O-N 3.37Å |
| 244 | M | 72.7 | Confident | 73.2 | Confident | 13 Ų | 13 | 62.1 Ų | 62.1 | 6% | 0.064 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.3 | -23.1 | 172.2 | -178.1 | 57.2 | 58.4 | 0 | 0 | 112.3 | L220 L247 V248 T292 E294 | L220-M244 HydrophobicContact CD1-CB 4.13Å; L220-M244 HydrophobicContact CD1-CE 4.01Å; L220-M244 VanDerWaalsContact CD1-N 3.28Å; L220-M244 HydrophobicContact CD2-CE 4.13Å; M244-L247 HydrophobicContact CE-CD2 4.2Å; M244-L247 HydrophobicContact SD-CD2 4.19Å; M244-V248 HydrophobicContact CG-CG2 4.18Å; M244-V248 VanDerWaalsContact O-CB 3.24Å; M244-V248 WeakPolarHBondContact O-CB 3.35Å; M244-V248 WeakPolarHBondContact O-CG2 3.47Å; M244-V248 PolarHBondContact O-N 3.28Å; M244-V248 VanDerWaalsContact O-N 3.07Å; M244-V248 HydrophobicContact SD-CG2 3.73Å; M244-T292 HydrophobicContact CE-CG2 4.17Å; M244-T292 WeakPolarHBondContact CE-OG1 3.49Å; M244-E294 WeakPolarHBondContact CB-OE1 3.31Å; M244-E294 HydrophobicContact CE-CB 3.71Å; M244-E294 HydrophobicContact CE-CG 4.01Å; M244-E294 WeakPolarHBondContact CG-OE2 3.06Å |
| 245 | H | 73.7 | Confident | 74.2 | Confident | 124 Ų | 124 | 55 Ų | 55 | 57% | 0.574 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -66.3 | -47.6 | 173.7 | -173.8 | 73.6 | 0 | 0 | 0 | 110.7 | T243 V248 T249 | T243-H245 PolarHBondContact O-N 2.83Å; T243-H245 PolarHBondContact OG1-N 3.45Å; H245-V248 PolarHBondContact O-N 3.28Å; H245-T249 WeakPolarHBondContact O-CG2 3.21Å; H245-T249 PolarHBondContact O-N 2.81Å; H245-T249 PolarHBondContact O-OG1 2.72Å; H245-T249 VanDerWaalsContact O-OG1 3.12Å |
| 246 | E | 78.9 | Confident | 74.8 | Confident | 64 Ų | 64 | 50.6 Ų | 50.6 | 30% | 0.299 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.4 | -48.2 | 176.4 | -68.4 | 134.3 | -128.9 | 0 | 0 | 112.6 | F241 S242 T243 V248 T249 H250 | F241-E246 HydrophobicContact CB-CB 4Å; F241-E246 HydrophobicContact CD1-CB 3.6Å; F241-E246 HydrophobicContact CE1-CB 4.47Å; F241-E246 HydrophobicContact CG-CB 4.09Å; S242-E246 WeakPolarHBondContact CA-OE2 3.48Å; S242-E246 WeakPolarHBondContact CB-OE2 3.43Å; S242-E246 PolarHBondContact N-OE2 2.83Å; S242-E246 PolarHBondContact OG-OE1 3.38Å; S242-E246 PolarHBondContact OG-OE2 3.28Å; T243-E246 VanDerWaalsContact CB-OE1 3.31Å; T243-E246 WeakPolarHBondContact CB-OE1 3.18Å; T243-E246 WeakPolarHBondContact CG2-OE1 3.37Å; T243-E246 PolarHBondContact N-OE2 3.47Å; T243-E246 PolarHBondContact O-N 3.36Å; T243-E246 VanDerWaalsContact O-N 3.17Å; T243-E246 PolarHBondContact OG1-N 3.09Å; T243-E246 PolarHBondContact OG1-OE1 3.2Å; E246-V248 VanDerWaalsContact C-N 3.28Å; E246-V248 PolarHBondContact O-N 2.58Å; E246-T249 WeakPolarHBondContact CA-OG1 3.18Å; E246-T249 PolarHBondContact O-N 2.88Å; E246-T249 PolarHBondContact O-OG1 3.3Å; E246-H250 WeakPolarHBondContact O-CB 3.09Å; E246-H250 PolarHBondContact O-N 3.21Å |
| 247 | L | 79.9 | Confident | 74.5 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.9 | -41.6 | 177.5 | 173.8 | 62.9 | 0 | 0 | 0 | 111.3 | L220 C222 F241 T243 M244 L251 I288 T292 | L220-L247 HydrophobicContact CB-CD2 4.18Å; C222-L247 HydrophobicContact CB-CD1 3.69Å; F241-L247 HydrophobicContact CB-CB 4.09Å; F241-L247 HydrophobicContact CD2-CB 3.87Å; F241-L247 HydrophobicContact CD2-CD1 3.68Å; F241-L247 HydrophobicContact CD2-CG 4.37Å; F241-L247 HydrophobicContact CE2-CD1 3.95Å; F241-L247 HydrophobicContact CG-CB 4.1Å; T243-L247 PolarHBondContact O-N 3.37Å; M244-L247 HydrophobicContact CE-CD2 4.2Å; M244-L247 HydrophobicContact SD-CD2 4.19Å; L247-L251 VanDerWaalsContact O-CB 3.27Å; L247-L251 WeakPolarHBondContact O-CB 3.5Å; L247-L251 PolarHBondContact O-N 3.03Å; L247-I288 HydrophobicContact CD2-CG2 4.05Å; L247-T292 HydrophobicContact CD2-CG2 3.68Å |
| 248 | V | 73.9 | Confident | 73.5 | Confident | 22 Ų | 22 | 51.4 Ų | 51.4 | 13% | 0.133 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -73 | -36.4 | -180 | 167.4 | 0 | 0 | 0 | 0 | 112.4 | M244 H245 E246 T252 V285 | M244-V248 HydrophobicContact CG-CG2 4.18Å; M244-V248 VanDerWaalsContact O-CB 3.24Å; M244-V248 WeakPolarHBondContact O-CB 3.35Å; M244-V248 WeakPolarHBondContact O-CG2 3.47Å; M244-V248 PolarHBondContact O-N 3.28Å; M244-V248 VanDerWaalsContact O-N 3.07Å; M244-V248 HydrophobicContact SD-CG2 3.73Å; H245-V248 PolarHBondContact O-N 3.28Å; E246-V248 VanDerWaalsContact C-N 3.28Å; E246-V248 PolarHBondContact O-N 2.58Å; V248-T252 HydrophobicContact CG1-CG2 4.37Å; V248-T252 VanDerWaalsContact O-CB 3.3Å; V248-T252 WeakPolarHBondContact O-CB 3.42Å; V248-T252 VanDerWaalsContact O-CG2 3.26Å; V248-T252 WeakPolarHBondContact O-CG2 3.16Å; V248-T252 PolarHBondContact O-N 3.35Å; V248-T252 PolarHBondContact O-OG1 2.94Å; V248-V285 HydrophobicContact CG1-CG1 4.23Å; V248-V285 HydrophobicContact CG1-CG2 3.58Å; V248-V285 HydrophobicContact CG2-CG1 3.85Å; V248-V285 HydrophobicContact CG2-CG2 4.21Å |
| 249 | T | 76.2 | Confident | 72.5 | Confident | 59 Ų | 59 | 52.1 Ų | 52.1 | 36% | 0.362 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.2 | -49.7 | 174.8 | 51.6 | 0 | 0 | 0 | 0 | 110.5 | H245 E246 L251 T252 V253 | H245-T249 WeakPolarHBondContact O-CG2 3.21Å; H245-T249 PolarHBondContact O-N 2.81Å; H245-T249 PolarHBondContact O-OG1 2.72Å; H245-T249 VanDerWaalsContact O-OG1 3.12Å; E246-T249 WeakPolarHBondContact CA-OG1 3.18Å; E246-T249 PolarHBondContact O-N 2.88Å; E246-T249 PolarHBondContact O-OG1 3.3Å; T249-L251 PolarHBondContact O-N 2.68Å; T249-T252 PolarHBondContact O-N 3.01Å; T249-V253 WeakPolarHBondContact O-CB 3.36Å; T249-V253 VanDerWaalsContact O-CG2 3.29Å; T249-V253 WeakPolarHBondContact O-CG2 3.28Å; T249-V253 PolarHBondContact O-N 2.84Å |
| 250 | H | 80.7 | Confident | 71.4 | Confident | 13 Ų | 13 | 56.3 Ų | 56.3 | 6% | 0.06 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -51 | -58.4 | 173.5 | 155.6 | 58.5 | 0 | 0 | 0 | 111.4 | C222 C237 F241 E246 T252 V253 E254 H255 | C222-H250 PolarHBondContact SG-NE2 3.49Å; C222-H250 VanDerWaalsContact SG-NE2 3.41Å; C237-H250 PolarHBondContact SG-CE1 3.02Å; C237-H250 PolarHBondContact SG-NE2 3.12Å; F241-H250 HydrophobicContact CE1-CB 3.87Å; F241-H250 HydrophobicContact CE2-CB 4.11Å; F241-H250 AromaticContact CE2-CD2 3.28Å; F241-H250 WeakPolarHBondContact CE2-CD2 3.47Å; F241-H250 AromaticContact CE2-CG 3.79Å; F241-H250 HydrophobicContact CZ-CB 3.44Å; F241-H250 VanDerWaalsContact CZ-CB 3.44Å; F241-H250 AromaticContact CZ-CD2 3.32Å; F241-H250 WeakPolarHBondContact CZ-CD2 3.13Å; F241-H250 AromaticContact CZ-CG 3.3Å; E246-H250 WeakPolarHBondContact O-CB 3.09Å; E246-H250 PolarHBondContact O-N 3.21Å; H250-T252 VanDerWaalsContact C-N 3.29Å; H250-T252 PolarHBondContact O-N 3.39Å; H250-V253 PolarHBondContact O-N 3.3Å; H250-E254 IonicContact CE1-OE2 3.29Å; H250-E254 PolarHBondContact CE1-OE2 3.41Å; H250-E254 IonicContact CG-OE2 3.3Å; H250-E254 IonicContact ND1-OE2 2.72Å; H250-E254 PolarHBondContact ND1-OE2 3.22Å; H250-E254 WeakPolarHBondContact O-CB 3.24Å; H250-E254 PolarHBondContact O-N 3.04Å; H250-H255 AromaticContact CE1-CD2 3.49Å; H250-H255 PolarHBondContact CE1-CD2 3.47Å; H250-H255 VanDerWaalsContact CE1-CD2 3.49Å; H250-H255 AromaticContact CE1-NE2 3.22Å; H250-H255 PolarHBondContact CE1-NE2 2.96Å; H250-H255 AromaticContact NE2-CD2 3.47Å; H250-H255 PolarHBondContact NE2-CD2 3.21Å; H250-H255 AromaticContact NE2-NE2 3.39Å; H250-H255 PolarHBondContact NE2-NE2 2.84Å |
| 251 | L | 75.7 | Confident | 70.4 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | I | π-helix | trans | -60.2 | -41.7 | -175.7 | -164.7 | 84.7 | 0 | 0 | 0 | 111.7 | W224 L247 T249 V253 H255 V256 I288 | W224-L251 HydrophobicContact CB-CD1 4.11Å; W224-L251 HydrophobicContact CD2-CD1 3.72Å; W224-L251 HydrophobicContact CE3-CD1 3.36Å; W224-L251 HydrophobicContact CE3-CD2 4.13Å; W224-L251 HydrophobicContact CE3-CG 4.13Å; W224-L251 HydrophobicContact CG-CD1 4.07Å; W224-L251 HydrophobicContact CH2-CD2 4.49Å; W224-L251 HydrophobicContact CZ3-CD1 3.83Å; W224-L251 HydrophobicContact CZ3-CD2 3.79Å; W224-L251 HydrophobicContact CZ3-CG 4.09Å; L247-L251 VanDerWaalsContact O-CB 3.27Å; L247-L251 WeakPolarHBondContact O-CB 3.5Å; L247-L251 PolarHBondContact O-N 3.03Å; T249-L251 PolarHBondContact O-N 2.68Å; L251-V253 VanDerWaalsContact C-N 3.34Å; L251-V253 PolarHBondContact O-N 3.07Å; L251-H255 HydrophobicContact CD1-CB 4Å; L251-H255 HydrophobicContact CG-CB 4.25Å; L251-H255 CarbonylContact O-C 3.57Å; L251-H255 WeakPolarHBondContact O-CA 3.43Å; L251-H255 WeakPolarHBondContact O-CB 3.26Å; L251-H255 PolarHBondContact O-N 2.67Å; L251-V256 PolarHBondContact O-N 3.27Å; L251-I288 HydrophobicContact CD2-CD1 3.19Å; L251-I288 HydrophobicContact CD2-CG1 4.02Å |
| 252 | T | 72.7 | Confident | 69.2 | Low | 5 Ų | 5 | 59.7 Ų | 59.7 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | I | π-helix | trans | -87.5 | -1.4 | -173.8 | 69.4 | 0 | 0 | 0 | 0 | 115 | V248 T249 H250 V256 K281 V285 | V248-T252 HydrophobicContact CG1-CG2 4.37Å; V248-T252 VanDerWaalsContact O-CB 3.3Å; V248-T252 WeakPolarHBondContact O-CB 3.42Å; V248-T252 VanDerWaalsContact O-CG2 3.26Å; V248-T252 WeakPolarHBondContact O-CG2 3.16Å; V248-T252 PolarHBondContact O-N 3.35Å; V248-T252 PolarHBondContact O-OG1 2.94Å; T249-T252 PolarHBondContact O-N 3.01Å; H250-T252 VanDerWaalsContact C-N 3.29Å; H250-T252 PolarHBondContact O-N 3.39Å; T252-V256 HydrophobicContact CG2-CG2 4.44Å; T252-K281 VanDerWaalsContact CB-NZ 3.26Å; T252-K281 HydrophobicContact CG2-CD 4.42Å; T252-K281 HydrophobicContact CG2-CG 4.22Å; T252-K281 WeakPolarHBondContact OG1-CE 3.22Å; T252-K281 PolarHBondContact OG1-NZ 3.16Å; T252-V285 HydrophobicContact CG2-CG2 4.42Å |
| 253 | V | 73.6 | Confident | 68.8 | Low | 100 Ų | 100 | 59.2 Ų | 59.2 | 61% | 0.606 | 33% | 0.334 | S | S | * | . | I | π-helix | trans | -99 | -54.9 | 165.5 | 172.4 | 0 | 0 | 0 | 0 | 109.6 | T249 H250 L251 | T249-V253 WeakPolarHBondContact O-CB 3.36Å; T249-V253 VanDerWaalsContact O-CG2 3.29Å; T249-V253 WeakPolarHBondContact O-CG2 3.28Å; T249-V253 PolarHBondContact O-N 2.84Å; H250-V253 PolarHBondContact O-N 3.3Å; L251-V253 VanDerWaalsContact C-N 3.34Å; L251-V253 PolarHBondContact O-N 3.07Å |
| 254 | E | 69.7 | Low | 68.6 | Low | 107 Ų | 107 | 57 Ų | 57 | 50% | 0.5 | 32% | 0.32 | S | S | . | . | I | π-helix | trans | -90.1 | -23.7 | -166.3 | -57.8 | -167.7 | 136.3 | 0 | 0 | 114.4 | K239 H250 | K239-E254 IonicContact NZ-OE1 3.49Å; K239-E254 PolarHBondContact NZ-OE1 2.97Å; K239-E254 IonicContact NZ-OE2 2.66Å; K239-E254 PolarHBondContact NZ-OE2 2.84Å; H250-E254 IonicContact CE1-OE2 3.29Å; H250-E254 PolarHBondContact CE1-OE2 3.41Å; H250-E254 IonicContact CG-OE2 3.3Å; H250-E254 IonicContact ND1-OE2 2.72Å; H250-E254 PolarHBondContact ND1-OE2 3.22Å; H250-E254 WeakPolarHBondContact O-CB 3.24Å; H250-E254 PolarHBondContact O-N 3.04Å |
| 255 | H | 70.8 | Confident | 68.6 | Low | 33 Ų | 33 | 58.5 Ų | 58.5 | 15% | 0.153 | 33% | 0.327 | C | S | . | . | I | π-helix | trans | -118.1 | -20.5 | -174.9 | -67.5 | -41.8 | 0 | 0 | 0 | 114.9 | W224 C237 H250 L251 | W224-H255 AromaticContact CD1-CD2 3.89Å; W224-H255 AromaticContact CD1-CG 3.52Å; W224-H255 AromaticContact CD1-ND1 3.61Å; W224-H255 HydrophobicContact CD2-CB 4.03Å; W224-H255 HydrophobicContact CG-CB 4.13Å; W224-H255 AromaticContact CG-CD2 3.85Å; W224-H255 AromaticContact CG-CG 3.85Å; W224-H255 HydrophobicContact CZ2-CB 3.92Å; W224-H255 AromaticContact NE1-CG 3.76Å; W224-H255 AromaticContact NE1-ND1 3.96Å; C237-H255 WeakPolarHBondContact CB-NE2 3.43Å; C237-H255 PolarHBondContact SG-NE2 2.91Å; C237-H255 VanDerWaalsContact SG-NE2 3.37Å; H250-H255 AromaticContact CE1-CD2 3.49Å; H250-H255 PolarHBondContact CE1-CD2 3.47Å; H250-H255 VanDerWaalsContact CE1-CD2 3.49Å; H250-H255 AromaticContact CE1-NE2 3.22Å; H250-H255 PolarHBondContact CE1-NE2 2.96Å; H250-H255 AromaticContact NE2-CD2 3.47Å; H250-H255 PolarHBondContact NE2-CD2 3.21Å; H250-H255 AromaticContact NE2-NE2 3.39Å; H250-H255 PolarHBondContact NE2-NE2 2.84Å; L251-H255 HydrophobicContact CD1-CB 4Å; L251-H255 HydrophobicContact CG-CB 4.25Å; L251-H255 CarbonylContact O-C 3.57Å; L251-H255 WeakPolarHBondContact O-CA 3.43Å; L251-H255 WeakPolarHBondContact O-CB 3.26Å; L251-H255 PolarHBondContact O-N 2.67Å |
| 256 | V | 69 | Low | 68.7 | Low | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.03 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -103.7 | -0.9 | 172.6 | -172.9 | 0 | 0 | 0 | 0 | 111.5 | W224 L251 T252 G258 Q261 H264 L284 | W224-V256 HydrophobicContact CH2-CG2 4.29Å; L251-V256 PolarHBondContact O-N 3.27Å; T252-V256 HydrophobicContact CG2-CG2 4.44Å; V256-G258 VanDerWaalsContact C-N 3.34Å; V256-G258 PolarHBondContact O-N 3.46Å; V256-Q261 WeakPolarHBondContact O-CG 3.3Å; V256-Q261 PolarHBondContact O-NE2 2.97Å; V256-Q261 PolarHBondContact O-OE1 3.28Å; V256-H264 HydrophobicContact CG1-CB 3.74Å; V256-H264 WeakPolarHBondContact CG1-ND1 3.27Å; V256-L284 HydrophobicContact CG2-CD2 3.61Å |
| 257 | G | 60.1 | Low | 68.3 | Low | 45 Ų | 45 | 51.7 Ų | 51.7 | 46% | 0.464 | 30% | 0.295 | S | S | . | . | trans | 54.7 | 42.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115 | Q261 | G257-Q261 PolarHBondContact O-NE2 3.48Š| ||
| 258 | G | 55.8 | Low | 68 | Low | 20 Ų | 20 | 52.3 Ų | 52.3 | 21% | 0.206 | 30% | 0.297 | C | S | . | . | S | Bend | trans | 100 | -174.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | V256 | V256-G258 VanDerWaalsContact C-N 3.34Å; V256-G258 PolarHBondContact O-N 3.46Å |
| 259 | P | 54.9 | Low | 67.6 | Low | 108 Ų | 108 | 55.2 Ų | 55.2 | 70% | 0.701 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -83.3 | -20.9 | -172.8 | 29.5 | -30.7 | 0 | 0 | 0 | 114.9 | ||
| 260 | E | 54.8 | Low | 67.2 | Low | 186 Ų | 186 | 59.7 Ų | 59.7 | 87% | 0.869 | 33% | 0.326 | S | S | * | . | trans | -97.6 | -4.2 | -167.1 | -59 | -167.7 | 134 | 0 | 0 | 115.1 | S262 | E260-S262 PolarHBondContact O-N 3.31Å; E260-S262 VanDerWaalsContact O-N 3.13Å | ||
| 261 | Q | 56.4 | Low | 67 | Low | 94 Ų | 94 | 59.5 Ų | 59.5 | 44% | 0.439 | 33% | 0.326 | S | S | . | . | trans | -65.2 | 116.5 | 176.5 | -61.2 | -159.3 | 11.8 | 0 | 0 | 110.8 | V256 G257 N263 H264 | V256-Q261 WeakPolarHBondContact O-CG 3.3Å; V256-Q261 PolarHBondContact O-NE2 2.97Å; V256-Q261 PolarHBondContact O-OE1 3.28Å; G257-Q261 PolarHBondContact O-NE2 3.48Å; Q261-N263 PolarHBondContact O-N 3.1Å; Q261-N263 VanDerWaalsContact O-N 3.13Å; Q261-H264 PolarHBondContact O-CE1 2.75Å; Q261-H264 PolarHBondContact O-ND1 2.61Å | ||
| 262 | S | 54.6 | Low | 66.6 | Low | 96 Ų | 96 | 66.2 Ų | 66.2 | 67% | 0.671 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -63.2 | -19.1 | -177 | 57.9 | 0 | 0 | 0 | 0 | 114.5 | E260 | E260-S262 PolarHBondContact O-N 3.31Å; E260-S262 VanDerWaalsContact O-N 3.13Å |
| 263 | N | 64.9 | Low | 66 | Low | 89 Ų | 89 | 70.9 Ų | 70.9 | 48% | 0.476 | 38% | 0.384 | S | S | . | . | trans | -127 | 76.7 | -173.6 | -77 | -42.9 | 0 | 0 | 0 | 110.8 | Q261 I265 P277 | Q261-N263 PolarHBondContact O-N 3.1Å; Q261-N263 VanDerWaalsContact O-N 3.13Å; N263-I265 PolarHBondContact O-N 3.18Å; N263-P277 HydrophobicContact CB-CB 3.69Å; N263-P277 VanDerWaalsContact OD1-CB 3.26Å; N263-P277 WeakPolarHBondContact OD1-CB 3.35Å; N263-P277 WeakPolarHBondContact OD1-CG 3.16Å | ||
| 264 | H | 72.7 | Confident | 65.3 | Low | 13 Ų | 13 | 70.5 Ų | 70.5 | 6% | 0.06 | 38% | 0.375 | C | S | . | . | B | Isolated β-bridge | trans | -71.7 | 102.9 | 171.4 | -31.7 | -74.3 | 0 | 0 | 0 | 108.6 | V256 Q261 F278 K281 L284 | V256-H264 HydrophobicContact CG1-CB 3.74Å; V256-H264 WeakPolarHBondContact CG1-ND1 3.27Å; Q261-H264 PolarHBondContact O-CE1 2.75Å; Q261-H264 PolarHBondContact O-ND1 2.61Å; H264-F278 PolarHBondContact CD2-O 3.03Å; H264-F278 PolarHBondContact N-O 3.19Å; H264-F278 VanDerWaalsContact O-CB 3.31Å; H264-F278 WeakPolarHBondContact O-CB 3.38Å; H264-F278 VanDerWaalsContact O-CD2 3.27Å; H264-F278 WeakPolarHBondContact O-CD2 3.31Å; H264-F278 PolarHBondContact O-N 3.15Å; H264-K281 PolarHBondContact CD2-N 2.83Å; H264-K281 PolarHBondContact NE2-N 3.44Å; H264-L284 HydrophobicContact CB-CB 4.46Å; H264-L284 HydrophobicContact CB-CD2 3.74Å |
| 265 | I | 72.2 | Confident | 64.6 | Low | 43 Ų | 43 | 67.4 Ų | 67.4 | 22% | 0.221 | 37% | 0.373 | C | S | . | . | trans | -85.3 | 175.1 | 178 | -60.4 | 161.9 | 0 | 0 | 0 | 109.2 | W224 N263 F267 P277 L284 | W224-I265 VanDerWaalsContact CH2-O 3.28Å; W224-I265 WeakPolarHBondContact CH2-O 3.46Å; N263-I265 PolarHBondContact O-N 3.18Å; I265-F267 HydrophobicContact CB-CD2 4.32Å; I265-F267 HydrophobicContact CB-CE2 3.65Å; I265-F267 HydrophobicContact CB-CZ 3.8Å; I265-F267 HydrophobicContact CD1-CE2 4.22Å; I265-F267 HydrophobicContact CD1-CZ 3.82Å; I265-F267 HydrophobicContact CG1-CZ 4.4Å; I265-F267 HydrophobicContact CG2-CD1 4.13Å; I265-F267 HydrophobicContact CG2-CD2 4.08Å; I265-F267 HydrophobicContact CG2-CE1 3.64Å; I265-F267 HydrophobicContact CG2-CE2 3.58Å; I265-F267 HydrophobicContact CG2-CG 4.34Å; I265-F267 HydrophobicContact CG2-CZ 3.34Å; I265-P277 HydrophobicContact CG1-CB 3.88Å; I265-L284 WeakPolarHBondContact O-CD1 3.43Å; I265-L284 WeakPolarHBondContact O-CD2 3.29Å | ||
| 266 | C | 76.1 | Confident | 64.3 | Low | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 39% | 0.393 | C | S | . | . | trans | -126.3 | 121.8 | 165.9 | -164.6 | 0 | 0 | 0 | 0 | 108.5 | W224 F278 L284 | W224-C266 HydrophobicContact CZ3-CB 4.41Å; C266-F278 HydrophobicContact CB-CE2 3.99Å; C266-L284 HydrophobicContact CB-CD1 3.58Å | ||
| 267 | F | 68.7 | Low | 64.4 | Low | 46 Ų | 46 | 75.1 Ų | 75.1 | 20% | 0.202 | 41% | 0.412 | C | S | . | . | trans | -117.9 | 67.5 | 178.2 | -60.1 | -72.5 | 0 | 0 | 0 | 108.7 | W224 V225 P227 I265 | W224-F267 CarbonylContact C-O 3.49Å; W224-F267 WeakPolarHBondContact CA-O 3.41Å; W224-F267 HydrophobicContact CD2-CB 4.3Å; W224-F267 HydrophobicContact CH2-CD2 4.41Å; W224-F267 HydrophobicContact CZ2-CB 4.34Å; W224-F267 AromaticContact CZ2-CD2 3.71Å; W224-F267 HydrophobicContact CZ2-CD2 3.71Å; V225-F267 PolarHBondContact N-O 3.45Å; V225-F267 VanDerWaalsContact O-CB 3.28Å; V225-F267 WeakPolarHBondContact O-CB 3.39Å; P227-F267 HydrophobicContact CB-CZ 4.37Å; P227-F267 HydrophobicContact CG-CD1 4.29Å; P227-F267 HydrophobicContact CG-CD2 3.69Å; P227-F267 HydrophobicContact CG-CE1 3.99Å; P227-F267 HydrophobicContact CG-CE2 3.35Å; P227-F267 HydrophobicContact CG-CG 4.15Å; P227-F267 HydrophobicContact CG-CZ 3.5Å; P227-F267 VanDerWaalsContact CG-CZ 3.5Å; I265-F267 HydrophobicContact CB-CD2 4.32Å; I265-F267 HydrophobicContact CB-CE2 3.65Å; I265-F267 HydrophobicContact CB-CZ 3.8Å; I265-F267 HydrophobicContact CD1-CE2 4.22Å; I265-F267 HydrophobicContact CD1-CZ 3.82Å; I265-F267 HydrophobicContact CG1-CZ 4.4Å; I265-F267 HydrophobicContact CG2-CD1 4.13Å; I265-F267 HydrophobicContact CG2-CD2 4.08Å; I265-F267 HydrophobicContact CG2-CE1 3.64Å; I265-F267 HydrophobicContact CG2-CE2 3.58Å; I265-F267 HydrophobicContact CG2-CG 4.34Å; I265-F267 HydrophobicContact CG2-CZ 3.34Å | ||
| 268 | W | 74.7 | Confident | 65.1 | Low | 14 Ų | 14 | 73.9 Ų | 73.9 | 5% | 0.053 | 39% | 0.394 | C | S | . | . | B | Isolated β-bridge | trans | -105.6 | 129 | -178.8 | -170 | -69.9 | 0 | 0 | 0 | 108 | I221 K223 E270 C271 E274 I288 H291 T292 | I221-W268 WeakPolarHBondContact O-CH2 3.49Å; I221-W268 WeakPolarHBondContact O-CZ2 3.41Å; K223-W268 HydrophobicContact CB-CD2 4.22Å; K223-W268 HydrophobicContact CB-CZ2 3.96Å; K223-W268 WeakPolarHBondContact O-CA 3.42Å; W268-E270 PolarHBondContact O-N 3.09Å; W268-C271 HydrophobicContact CB-CB 4.3Å; W268-C271 VanDerWaalsContact O-CB 3.26Å; W268-C271 WeakPolarHBondContact O-CB 3.42Å; W268-C271 PolarHBondContact O-N 2.9Å; W268-E274 VanDerWaalsContact O-OE1 3.04Å; W268-I288 HydrophobicContact CZ3-CG2 4.01Å; W268-H291 AromaticContact CD1-CE1 3.66Å; W268-H291 AromaticContact CD1-CG 3.72Å; W268-H291 AromaticContact CD1-ND1 3.67Å; W268-H291 HydrophobicContact CD2-CB 3.89Å; W268-H291 AromaticContact CD2-CD2 3.91Å; W268-H291 AromaticContact CD2-CG 3.87Å; W268-H291 VanDerWaalsContact CE2-CB 3.47Å; W268-H291 AromaticContact CE2-CG 3.9Å; W268-H291 HydrophobicContact CG-CB 4.24Å; W268-H291 AromaticContact CG-CD2 3.77Å; W268-H291 AromaticContact CG-CG 3.76Å; W268-H291 AromaticContact CG-ND1 3.99Å; W268-H291 HydrophobicContact CH2-CB 4.39Å; W268-H291 HydrophobicContact CZ2-CB 3.76Å; W268-H291 AromaticContact NE1-CE1 3.91Å; W268-H291 AromaticContact NE1-CG 3.81Å; W268-T292 HydrophobicContact CH2-CG2 4.06Å |
| 269 | E | 65.8 | Low | 66 | Low | 83 Ų | 83 | 82.7 Ų | 82.7 | 39% | 0.388 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -42.4 | -24.9 | -161.9 | -65.6 | 173.5 | 147.1 | 0 | 0 | 118.4 | K223 V225 | K223-E269 HydrophobicContact CB-CG 4.26Å; K223-E269 WeakPolarHBondContact CD-OE2 3.28Å; K223-E269 WeakPolarHBondContact CG-OE2 3.32Å; K223-E269 IonicContact NZ-OE2 3.21Å; K223-E269 PolarHBondContact NZ-OE2 2.95Å; K223-E269 PolarHBondContact O-N 2.82Å; V225-E269 HydrophobicContact CG2-CG 3.8Å |
| 270 | E | 67.8 | Low | 67.1 | Low | 153 Ų | 153 | 78.7 Ų | 78.7 | 72% | 0.715 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.3 | 27.4 | -177.9 | -62.7 | 174.2 | -168.9 | 0 | 0 | 112.6 | W268 V272 | W268-E270 PolarHBondContact O-N 3.09Å; E270-V272 PolarHBondContact O-N 2.98Å |
| 271 | C | 76.3 | Confident | 67.9 | Low | 8 Ų | 8 | 73.4 Ų | 73.4 | 5% | 0.054 | 38% | 0.377 | C | S | . | . | trans | -82 | 113.8 | -172.3 | -167.6 | 0 | 0 | 0 | 0 | 112.9 | W268 R273 E274 H287 H291 | W268-C271 HydrophobicContact CB-CB 4.3Å; W268-C271 VanDerWaalsContact O-CB 3.26Å; W268-C271 WeakPolarHBondContact O-CB 3.42Å; W268-C271 PolarHBondContact O-N 2.9Å; C271-R273 PolarHBondContact O-N 3.43Å; C271-R273 PolarHBondContact SG-N 3.32Å; C271-R273 VanDerWaalsContact SG-N 3.45Å; C271-E274 WeakPolarHBondContact CA-OE1 3.46Å; C271-E274 WeakPolarHBondContact CB-OE1 3.5Å; C271-E274 PolarHBondContact N-OE1 2.9Å; C271-E274 WeakPolarHBondContact O-CG 3.36Å; C271-E274 PolarHBondContact O-N 2.51Å; C271-H287 VanDerWaalsContact SG-CE1 3.58Å; C271-H287 PolarHBondContact SG-NE2 2.23Å; C271-H291 WeakPolarHBondContact CA-NE2 3.48Å; C271-H291 WeakPolarHBondContact CB-NE2 3.41Å; C271-H291 PolarHBondContact SG-NE2 3.04Å | ||
| 272 | V | 67.1 | Low | 68.8 | Low | 143 Ų | 143 | 75.5 Ų | 75.5 | 87% | 0.867 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 10.7 | 170.4 | -160 | 0 | 0 | 0 | 0 | 113.5 | E270 | E270-V272 PolarHBondContact O-N 2.98Š|
| 273 | R | 60.9 | Low | 70 | Confident | 102 Ų | 102 | 76 Ų | 76 | 39% | 0.385 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.1 | 29.5 | 172.9 | -65.5 | -165.6 | -66.8 | -170.9 | -10.6 | 113.8 | C271 G275 K276 H287 | C271-R273 PolarHBondContact O-N 3.43Å; C271-R273 PolarHBondContact SG-N 3.32Å; C271-R273 VanDerWaalsContact SG-N 3.45Å; R273-G275 PolarHBondContact O-N 3.37Å; R273-K276 HydrophobicContact CB-CB 4.49Å; R273-K276 PolarHBondContact O-N 3.01Å; R273-K276 VanDerWaalsContact O-N 3.12Å; R273-H287 PolarHBondContact NH2-CD2 3.21Å; R273-H287 PolarHBondContact NH2-CE1 3.47Å; R273-H287 VanDerWaalsContact NH2-CE1 3.33Å; R273-H287 PolarHBondContact NH2-ND1 3.38Å; R273-H287 VanDerWaalsContact NH2-ND1 3.11Å; R273-H287 PolarHBondContact NH2-NE2 3.22Å |
| 274 | E | 57.3 | Low | 70.7 | Confident | 92 Ų | 92 | 71.8 Ų | 71.8 | 43% | 0.43 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -40.3 | 135.2 | 170 | -68.7 | -43.3 | 137 | 0 | 0 | 112.6 | W268 C271 K276 | W268-E274 VanDerWaalsContact O-OE1 3.04Å; C271-E274 WeakPolarHBondContact CA-OE1 3.46Å; C271-E274 WeakPolarHBondContact CB-OE1 3.5Å; C271-E274 PolarHBondContact N-OE1 2.9Å; C271-E274 WeakPolarHBondContact O-CG 3.36Å; C271-E274 PolarHBondContact O-N 2.51Å; E274-K276 PolarHBondContact O-N 3.03Å; E274-K276 VanDerWaalsContact O-N 3.11Å |
| 275 | G | 56.2 | Low | 70.9 | Confident | 43 Ų | 43 | 72.3 Ų | 72.3 | 44% | 0.443 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | -1.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | R273 P277 | R273-G275 PolarHBondContact O-N 3.37Å; G275-P277 WeakPolarHBondContact O-CD 3.34Å |
| 276 | K | 64.9 | Low | 71.3 | Confident | 135 Ų | 135 | 72.9 Ų | 72.9 | 59% | 0.587 | 36% | 0.357 | S | S | * | . | trans | -92.6 | 115 | -175 | -72.2 | 173.5 | -178.3 | 165.7 | 0 | 112.5 | R273 E274 | R273-K276 HydrophobicContact CB-CB 4.49Å; R273-K276 PolarHBondContact O-N 3.01Å; R273-K276 VanDerWaalsContact O-N 3.12Å; E274-K276 PolarHBondContact O-N 3.03Å; E274-K276 VanDerWaalsContact O-N 3.11Å | ||
| 277 | P | 70.4 | Confident | 71.6 | Confident | 64 Ų | 64 | 73.4 Ų | 73.4 | 42% | 0.416 | 36% | 0.359 | S | S | . | . | trans | -74.2 | 140.7 | -175.6 | 29 | -35.2 | 0 | 0 | 0 | 113.5 | N263 I265 G275 | N263-P277 HydrophobicContact CB-CB 3.69Å; N263-P277 VanDerWaalsContact OD1-CB 3.26Å; N263-P277 WeakPolarHBondContact OD1-CB 3.35Å; N263-P277 WeakPolarHBondContact OD1-CG 3.16Å; I265-P277 HydrophobicContact CG1-CB 3.88Å; G275-P277 WeakPolarHBondContact O-CD 3.34Å | ||
| 278 | F | 75 | Confident | 72 | Confident | 20 Ų | 20 | 71.2 Ų | 71.2 | 9% | 0.088 | 35% | 0.349 | C | S | . | . | B | Isolated β-bridge | trans | -90.6 | 123.5 | 168.1 | -64.7 | -91.8 | 0 | 0 | 0 | 109.6 | H264 C266 A280 K283 L284 H287 | H264-F278 PolarHBondContact CD2-O 3.03Å; H264-F278 PolarHBondContact N-O 3.19Å; H264-F278 VanDerWaalsContact O-CB 3.31Å; H264-F278 WeakPolarHBondContact O-CB 3.38Å; H264-F278 VanDerWaalsContact O-CD2 3.27Å; H264-F278 WeakPolarHBondContact O-CD2 3.31Å; H264-F278 PolarHBondContact O-N 3.15Å; C266-F278 HydrophobicContact CB-CE2 3.99Å; F278-A280 PolarHBondContact O-N 3.29Å; F278-K283 HydrophobicContact CB-CB 4.22Å; F278-K283 HydrophobicContact CD1-CB 3.76Å; F278-K283 HydrophobicContact CG-CB 4.4Å; F278-L284 HydrophobicContact CB-CB 4.27Å; F278-L284 HydrophobicContact CD2-CB 4.17Å; F278-L284 HydrophobicContact CD2-CD1 4Å; F278-L284 HydrophobicContact CE2-CD1 4.13Å; F278-L284 HydrophobicContact CG-CB 4.14Å; F278-H287 HydrophobicContact CE1-CB 4.1Å; F278-H287 AromaticContact CE2-CD2 3.54Å; F278-H287 HydrophobicContact CZ-CB 3.99Å; F278-H287 AromaticContact CZ-CD2 3.12Å; F278-H287 WeakPolarHBondContact CZ-CD2 3.47Å; F278-H287 AromaticContact CZ-CG 3.8Å; F278-H287 AromaticContact CZ-NE2 3.87Å |
| 279 | K | 74.4 | Confident | 72.4 | Confident | 205 Ų | 205 | 72.5 Ų | 72.5 | 89% | 0.891 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -65.5 | 4.6 | 177.1 | -58 | -167.7 | 175.1 | -165.5 | 0 | 115.7 | ||
| 280 | A | 77.9 | Confident | 73.1 | Confident | 24 Ų | 24 | 73.6 Ų | 73.6 | 20% | 0.198 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -167 | 137.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F278 Y282 K283 | F278-A280 PolarHBondContact O-N 3.29Å; A280-Y282 VanDerWaalsContact C-N 3.26Å; A280-Y282 HydrophobicContact CB-CD1 3.61Å; A280-Y282 HydrophobicContact CB-CE1 3.49Å; A280-Y282 VanDerWaalsContact CB-CE1 3.49Å; A280-Y282 PolarHBondContact O-N 3.49Å; A280-Y282 VanDerWaalsContact O-N 3.12Å; A280-K283 HydrophobicContact CB-CG 4.28Å; A280-K283 WeakPolarHBondContact O-CB 3.49Å; A280-K283 PolarHBondContact O-N 3.2Å |
| 281 | K | 72.3 | Confident | 73.7 | Confident | 75 Ų | 75 | 69 Ų | 69 | 33% | 0.326 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -47.3 | -43.7 | -179 | 178.5 | 166 | 174.3 | 153.3 | 0 | 113.2 | T252 H264 K283 L284 V285 | T252-K281 VanDerWaalsContact CB-NZ 3.26Å; T252-K281 HydrophobicContact CG2-CD 4.42Å; T252-K281 HydrophobicContact CG2-CG 4.22Å; T252-K281 WeakPolarHBondContact OG1-CE 3.22Å; T252-K281 PolarHBondContact OG1-NZ 3.16Å; H264-K281 PolarHBondContact CD2-N 2.83Å; H264-K281 PolarHBondContact NE2-N 3.44Å; K281-K283 VanDerWaalsContact C-N 3.28Å; K281-K283 PolarHBondContact O-N 3.23Å; K281-L284 PolarHBondContact O-N 3.42Å; K281-V285 WeakPolarHBondContact O-CG2 3.36Å; K281-V285 PolarHBondContact O-N 2.85Å |
| 282 | Y | 75.3 | Confident | 73.7 | Confident | 137 Ų | 137 | 69.3 Ų | 69.3 | 54% | 0.537 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.2 | -24.5 | 179.5 | 81.6 | -88.9 | 0 | 0 | 0 | 114 | A280 N286 | A280-Y282 VanDerWaalsContact C-N 3.26Å; A280-Y282 HydrophobicContact CB-CD1 3.61Å; A280-Y282 HydrophobicContact CB-CE1 3.49Å; A280-Y282 VanDerWaalsContact CB-CE1 3.49Å; A280-Y282 PolarHBondContact O-N 3.49Å; A280-Y282 VanDerWaalsContact O-N 3.12Å; Y282-N286 WeakPolarHBondContact O-CB 3.47Å; Y282-N286 PolarHBondContact O-N 3.05Å; Y282-N286 PolarHBondContact O-ND2 3Å |
| 283 | K | 80.2 | Confident | 74.2 | Confident | 107 Ų | 107 | 64.3 Ų | 64.3 | 47% | 0.465 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -74.1 | -38.7 | 175.4 | -62 | -67 | -159 | -154.8 | 0 | 111.2 | F278 A280 K281 N286 H287 | F278-K283 HydrophobicContact CB-CB 4.22Å; F278-K283 HydrophobicContact CD1-CB 3.76Å; F278-K283 HydrophobicContact CG-CB 4.4Å; A280-K283 HydrophobicContact CB-CG 4.28Å; A280-K283 WeakPolarHBondContact O-CB 3.49Å; A280-K283 PolarHBondContact O-N 3.2Å; K281-K283 VanDerWaalsContact C-N 3.28Å; K281-K283 PolarHBondContact O-N 3.23Å; K283-N286 PolarHBondContact O-N 3.36Å; K283-H287 PolarHBondContact O-N 3.01Å; K283-H287 VanDerWaalsContact O-N 3.09Å |
| 284 | L | 78.2 | Confident | 74.9 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.5 | -47 | 171.6 | 175.5 | 58.9 | 0 | 0 | 0 | 110.7 | V256 H264 I265 C266 F278 K281 N286 H287 I288 | V256-L284 HydrophobicContact CG2-CD2 3.61Å; H264-L284 HydrophobicContact CB-CB 4.46Å; H264-L284 HydrophobicContact CB-CD2 3.74Å; I265-L284 WeakPolarHBondContact O-CD1 3.43Å; I265-L284 WeakPolarHBondContact O-CD2 3.29Å; C266-L284 HydrophobicContact CB-CD1 3.58Å; F278-L284 HydrophobicContact CB-CB 4.27Å; F278-L284 HydrophobicContact CD2-CB 4.17Å; F278-L284 HydrophobicContact CD2-CD1 4Å; F278-L284 HydrophobicContact CE2-CD1 4.13Å; F278-L284 HydrophobicContact CG-CB 4.14Å; K281-L284 PolarHBondContact O-N 3.42Å; L284-N286 VanDerWaalsContact C-N 3.31Å; L284-N286 PolarHBondContact O-N 3.04Å; L284-H287 WeakPolarHBondContact O-CA 3.33Å; L284-H287 VanDerWaalsContact O-CB 3.25Å; L284-H287 WeakPolarHBondContact O-CB 3.39Å; L284-H287 PolarHBondContact O-N 2.88Å; L284-I288 HydrophobicContact CD1-CD1 4.06Å; L284-I288 HydrophobicContact CD1-CG1 4.33Å; L284-I288 HydrophobicContact CG-CD1 3.91Å; L284-I288 WeakPolarHBondContact O-CD1 3.43Å; L284-I288 PolarHBondContact O-N 2.82Å |
| 285 | V | 77 | Confident | 76 | Confident | 24 Ų | 24 | 61.7 Ų | 61.7 | 15% | 0.145 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.2 | -42.7 | 173.9 | 173.3 | 0 | 0 | 0 | 0 | 112.5 | V248 T252 K281 H287 | V248-V285 HydrophobicContact CG1-CG1 4.23Å; V248-V285 HydrophobicContact CG1-CG2 3.58Å; V248-V285 HydrophobicContact CG2-CG1 3.85Å; V248-V285 HydrophobicContact CG2-CG2 4.21Å; T252-V285 HydrophobicContact CG2-CG2 4.42Å; K281-V285 WeakPolarHBondContact O-CG2 3.36Å; K281-V285 PolarHBondContact O-N 2.85Å; V285-H287 PolarHBondContact O-N 3.24Å |
| 286 | N | 79.9 | Confident | 77.1 | Confident | 56 Ų | 56 | 61 Ų | 61 | 30% | 0.299 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70.7 | -15.1 | 174.6 | -82.6 | -90 | 0 | 0 | 0 | 113.9 | Y282 K283 L284 R310 | Y282-N286 WeakPolarHBondContact O-CB 3.47Å; Y282-N286 PolarHBondContact O-N 3.05Å; Y282-N286 PolarHBondContact O-ND2 3Å; K283-N286 PolarHBondContact O-N 3.36Å; L284-N286 VanDerWaalsContact C-N 3.31Å; L284-N286 PolarHBondContact O-N 3.04Å; N286-R310 WeakPolarHBondContact OD1-CG 3.37Å |
| 287 | H | 82.9 | Confident | 78 | Confident | 10 Ų | 10 | 57.5 Ų | 57.5 | 5% | 0.046 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -84.6 | -41.1 | 174.4 | 176 | 19 | 0 | 0 | 0 | 112.4 | C271 R273 F278 K283 L284 V285 R289 V290 | C271-H287 VanDerWaalsContact SG-CE1 3.58Å; C271-H287 PolarHBondContact SG-NE2 2.23Å; R273-H287 PolarHBondContact NH2-CD2 3.21Å; R273-H287 PolarHBondContact NH2-CE1 3.47Å; R273-H287 VanDerWaalsContact NH2-CE1 3.33Å; R273-H287 PolarHBondContact NH2-ND1 3.38Å; R273-H287 VanDerWaalsContact NH2-ND1 3.11Å; R273-H287 PolarHBondContact NH2-NE2 3.22Å; F278-H287 HydrophobicContact CE1-CB 4.1Å; F278-H287 AromaticContact CE2-CD2 3.54Å; F278-H287 HydrophobicContact CZ-CB 3.99Å; F278-H287 AromaticContact CZ-CD2 3.12Å; F278-H287 WeakPolarHBondContact CZ-CD2 3.47Å; F278-H287 AromaticContact CZ-CG 3.8Å; F278-H287 AromaticContact CZ-NE2 3.87Å; K283-H287 PolarHBondContact O-N 3.01Å; K283-H287 VanDerWaalsContact O-N 3.09Å; L284-H287 WeakPolarHBondContact O-CA 3.33Å; L284-H287 VanDerWaalsContact O-CB 3.25Å; L284-H287 WeakPolarHBondContact O-CB 3.39Å; L284-H287 PolarHBondContact O-N 2.88Å; V285-H287 PolarHBondContact O-N 3.24Å; H287-R289 PolarHBondContact O-N 3.32Å; H287-R289 VanDerWaalsContact O-N 3.15Å; H287-V290 WeakPolarHBondContact O-CB 3.43Å; H287-V290 VanDerWaalsContact O-CG2 3.31Å; H287-V290 WeakPolarHBondContact O-CG2 3.43Å; H287-V290 PolarHBondContact O-N 2.71Å |
| 288 | I | 77.8 | Confident | 78.7 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.7 | -29.8 | -177.2 | -66.5 | 143.2 | 0 | 0 | 0 | 111.7 | L247 L251 W268 L284 V290 H291 T292 | L247-I288 HydrophobicContact CD2-CG2 4.05Å; L251-I288 HydrophobicContact CD2-CD1 3.19Å; L251-I288 HydrophobicContact CD2-CG1 4.02Å; W268-I288 HydrophobicContact CZ3-CG2 4.01Å; L284-I288 HydrophobicContact CD1-CD1 4.06Å; L284-I288 HydrophobicContact CD1-CG1 4.33Å; L284-I288 HydrophobicContact CG-CD1 3.91Å; L284-I288 WeakPolarHBondContact O-CD1 3.43Å; L284-I288 PolarHBondContact O-N 2.82Å; I288-V290 PolarHBondContact O-N 3.32Å; I288-V290 VanDerWaalsContact O-N 3.09Å; I288-H291 WeakPolarHBondContact O-CA 3.11Å; I288-H291 PolarHBondContact O-N 2.89Å; I288-T292 HydrophobicContact CG2-CG2 4.13Å; I288-T292 PolarHBondContact O-N 3.14Å; I288-T292 PolarHBondContact O-OG1 3.1Å |
| 289 | R | 82.7 | Confident | 79.3 | Confident | 40 Ų | 40 | 56.9 Ų | 56.9 | 15% | 0.151 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.7 | -15.5 | 169.7 | -66.3 | -177 | 167.8 | 173.4 | 1.3 | 115.6 | H287 G293 E294 A309 | H287-R289 PolarHBondContact O-N 3.32Å; H287-R289 VanDerWaalsContact O-N 3.15Å; R289-G293 WeakPolarHBondContact O-CA 3.47Å; R289-G293 PolarHBondContact O-N 3.24Å; R289-E294 WeakPolarHBondContact CD-OE2 3.26Å; R289-E294 HydrophobicContact CG-CB 4.5Å; R289-E294 IonicContact CZ-OE2 2.71Å; R289-E294 VanDerWaalsContact CZ-OE2 3.29Å; R289-E294 IonicContact NE-OE2 3.03Å; R289-E294 PolarHBondContact NE-OE2 3.29Å; R289-E294 IonicContact NH2-OE2 3.1Å; R289-E294 PolarHBondContact NH2-OE2 3.03Å; R289-A309 HydrophobicContact CB-CB 4.42Å; R289-A309 WeakPolarHBondContact CD-O 3.47Å; R289-A309 PolarHBondContact NH1-O 2.91Å |
| 290 | V | 81.5 | Confident | 79.9 | Confident | 107 Ų | 107 | 50.8 Ų | 50.8 | 65% | 0.648 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -77.6 | -36.3 | 170.7 | -176.9 | 0 | 0 | 0 | 0 | 110.5 | H287 I288 | H287-V290 WeakPolarHBondContact O-CB 3.43Å; H287-V290 VanDerWaalsContact O-CG2 3.31Å; H287-V290 WeakPolarHBondContact O-CG2 3.43Å; H287-V290 PolarHBondContact O-N 2.71Å; I288-V290 PolarHBondContact O-N 3.32Å; I288-V290 VanDerWaalsContact O-N 3.09Å |
| 291 | H | 79.5 | Confident | 80.3 | Confident | 57 Ų | 57 | 53 Ų | 53 | 26% | 0.264 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -80.1 | -39.1 | 177.9 | -56.5 | -63.9 | 0 | 0 | 0 | 112.3 | W268 C271 I288 | W268-H291 AromaticContact CD1-CE1 3.66Å; W268-H291 AromaticContact CD1-CG 3.72Å; W268-H291 AromaticContact CD1-ND1 3.67Å; W268-H291 HydrophobicContact CD2-CB 3.89Å; W268-H291 AromaticContact CD2-CD2 3.91Å; W268-H291 AromaticContact CD2-CG 3.87Å; W268-H291 VanDerWaalsContact CE2-CB 3.47Å; W268-H291 AromaticContact CE2-CG 3.9Å; W268-H291 HydrophobicContact CG-CB 4.24Å; W268-H291 AromaticContact CG-CD2 3.77Å; W268-H291 AromaticContact CG-CG 3.76Å; W268-H291 AromaticContact CG-ND1 3.99Å; W268-H291 HydrophobicContact CH2-CB 4.39Å; W268-H291 HydrophobicContact CZ2-CB 3.76Å; W268-H291 AromaticContact NE1-CE1 3.91Å; W268-H291 AromaticContact NE1-CG 3.81Å; C271-H291 WeakPolarHBondContact CA-NE2 3.48Å; C271-H291 WeakPolarHBondContact CB-NE2 3.41Å; C271-H291 PolarHBondContact SG-NE2 3.04Å; I288-H291 WeakPolarHBondContact O-CA 3.11Å; I288-H291 PolarHBondContact O-N 2.89Å |
| 292 | T | 76.6 | Confident | 80.9 | Confident | 14 Ų | 14 | 55.4 Ų | 55.4 | 9% | 0.086 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -86.1 | -9.2 | 178.9 | 63.3 | 0 | 0 | 0 | 0 | 114.1 | Q218 L220 M244 L247 W268 I288 E294 | Q218-T292 PolarHBondContact NE2-O 3.33Å; L220-T292 HydrophobicContact CD2-CG2 4.14Å; M244-T292 HydrophobicContact CE-CG2 4.17Å; M244-T292 WeakPolarHBondContact CE-OG1 3.49Å; L247-T292 HydrophobicContact CD2-CG2 3.68Å; W268-T292 HydrophobicContact CH2-CG2 4.06Å; I288-T292 HydrophobicContact CG2-CG2 4.13Å; I288-T292 PolarHBondContact O-N 3.14Å; I288-T292 PolarHBondContact O-OG1 3.1Å; T292-E294 PolarHBondContact O-N 2.86Å |
| 293 | G | 77.2 | Confident | 81.3 | Confident | 37 Ų | 37 | 53.3 Ų | 53.3 | 38% | 0.381 | 32% | 0.315 | S | S | . | . | trans | 65.6 | 3.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | R289 K295 | R289-G293 WeakPolarHBondContact O-CA 3.47Å; R289-G293 PolarHBondContact O-N 3.24Å; G293-K295 WeakPolarHBondContact O-CG 3.01Å; G293-K295 PolarHBondContact O-N 3.07Å | ||
| 294 | E | 75.8 | Confident | 81.7 | Confident | 33 Ų | 33 | 49 Ų | 49 | 15% | 0.154 | 30% | 0.299 | C | S | . | . | trans | -61.9 | 127.4 | -172.1 | -168.9 | -135.7 | -163.8 | 0 | 0 | 112.4 | M244 R289 T292 P296 A309 | M244-E294 WeakPolarHBondContact CB-OE1 3.31Å; M244-E294 HydrophobicContact CE-CB 3.71Å; M244-E294 HydrophobicContact CE-CG 4.01Å; M244-E294 WeakPolarHBondContact CG-OE2 3.06Å; R289-E294 WeakPolarHBondContact CD-OE2 3.26Å; R289-E294 HydrophobicContact CG-CB 4.5Å; R289-E294 IonicContact CZ-OE2 2.71Å; R289-E294 VanDerWaalsContact CZ-OE2 3.29Å; R289-E294 IonicContact NE-OE2 3.03Å; R289-E294 PolarHBondContact NE-OE2 3.29Å; R289-E294 IonicContact NH2-OE2 3.1Å; R289-E294 PolarHBondContact NH2-OE2 3.03Å; T292-E294 PolarHBondContact O-N 2.86Å; E294-P296 VanDerWaalsContact C-CD 3.46Å; E294-P296 HydrophobicContact CG-CB 4.49Å; E294-P296 HydrophobicContact CG-CG 4.35Å; E294-P296 WeakPolarHBondContact O-CD 3.31Å; E294-P296 WeakPolarHBondContact OE1-CB 3.19Å; E294-P296 WeakPolarHBondContact OE2-CD 3.39Å; E294-P296 WeakPolarHBondContact OE2-CG 3.18Å; E294-A309 WeakPolarHBondContact O-CB 3.48Å | ||
| 295 | K | 80.6 | Confident | 82 | Confident | 106 Ų | 106 | 52.4 Ų | 52.4 | 46% | 0.461 | 33% | 0.333 | S | S | . | . | trans | -122.2 | 63.3 | -177.1 | -68.3 | 160.7 | -163.6 | 170.8 | 0 | 111.7 | G293 F297 V307 F308 A309 | G293-K295 WeakPolarHBondContact O-CG 3.01Å; G293-K295 PolarHBondContact O-N 3.07Å; K295-F297 PolarHBondContact O-N 3.26Å; K295-V307 HydrophobicContact CB-CB 3.83Å; K295-V307 HydrophobicContact CB-CG2 3.77Å; K295-V307 HydrophobicContact CD-CG2 3.85Å; K295-V307 HydrophobicContact CG-CG2 4.39Å; K295-F308 CarbonylContact C-O 3.58Å; K295-F308 WeakPolarHBondContact CA-O 3.28Å; K295-A309 HydrophobicContact CG-CB 4.47Å | ||
| 296 | P | 79.9 | Confident | 82.4 | Confident | 30 Ų | 30 | 56.6 Ų | 56.6 | 20% | 0.195 | 35% | 0.35 | C | S | . | . | trans | -76.8 | 9.9 | -166.7 | 34.1 | -38.3 | 0 | 0 | 0 | 115.3 | E294 P298 | E294-P296 VanDerWaalsContact C-CD 3.46Å; E294-P296 HydrophobicContact CG-CB 4.49Å; E294-P296 HydrophobicContact CG-CG 4.35Å; E294-P296 WeakPolarHBondContact O-CD 3.31Å; E294-P296 WeakPolarHBondContact OE1-CB 3.19Å; E294-P296 WeakPolarHBondContact OE2-CD 3.39Å; E294-P296 WeakPolarHBondContact OE2-CG 3.18Å; P296-P298 VanDerWaalsContact C-CD 3.5Å; P296-P298 VanDerWaalsContact O-CD 3.28Å; P296-P298 WeakPolarHBondContact O-CD 3.25Å | ||
| 297 | F | 83 | Confident | 82.8 | Confident | 60 Ų | 60 | 57.5 Ų | 57.5 | 26% | 0.263 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 83 | 175.2 | -57.9 | -69.4 | 0 | 0 | 0 | 110.2 | K295 F308 S311 L314 | K295-F297 PolarHBondContact O-N 3.26Å; F297-F308 HydrophobicContact CB-CB 4.29Å; F297-F308 WeakPolarHBondContact CB-O 3.28Å; F297-F308 WeakPolarHBondContact CD2-O 3.37Å; F297-F308 PolarHBondContact N-O 3.47Å; F297-F308 PolarHBondContact O-N 3.11Å; F297-S311 VanDerWaalsContact CD2-N 3.26Å; F297-L314 HydrophobicContact CB-CB 4.13Å; F297-L314 HydrophobicContact CB-CD2 3.87Å |
| 298 | P | 84.5 | Confident | 82.9 | Confident | 58 Ų | 58 | 59 Ų | 59 | 38% | 0.377 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 149.8 | 174 | 28.5 | -35 | 0 | 0 | 0 | 112 | P296 V307 L314 | P296-P298 VanDerWaalsContact C-CD 3.5Å; P296-P298 VanDerWaalsContact O-CD 3.28Å; P296-P298 WeakPolarHBondContact O-CD 3.25Å; P298-V307 HydrophobicContact CB-CG1 4.1Å; P298-L314 WeakPolarHBondContact O-CD2 3.12Å |
| 299 | C | 89.2 | Confident | 83.1 | Confident | 14 Ų | 14 | 60.4 Ų | 60.4 | 10% | 0.095 | 38% | 0.375 | C | S | . | . | trans | -75.5 | 124.3 | 170.2 | -166.1 | 0 | 0 | 0 | 0 | 110.2 | F301 C304 K306 L314 H317 H321 | C299-F301 PolarHBondContact O-N 3.2Å; C299-C304 HydrophobicContact CB-CB 4.35Å; C299-K306 WeakPolarHBondContact CB-O 3.34Å; C299-K306 PolarHBondContact N-O 2.86Å; C299-L314 HydrophobicContact CB-CD1 4.16Å; C299-H317 PolarHBondContact SG-CD2 2.86Å; C299-H317 PolarHBondContact SG-NE2 3.09Å; C299-H321 PolarHBondContact SG-NE2 3.34Å | ||
| 300 | P | 86.7 | Confident | 83.2 | Confident | 76 Ų | 76 | 63.6 Ų | 63.6 | 49% | 0.494 | 39% | 0.387 | S | S | . | . | trans | -80.6 | -0.2 | -179 | 34.7 | -37.6 | 0 | 0 | 0 | 113.6 | ||||
| 301 | F | 85.8 | Confident | 83.3 | Confident | 70 Ų | 70 | 61.9 Ų | 61.9 | 31% | 0.307 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -76.6 | 123.8 | 176.1 | -77.6 | -84.4 | 0 | 0 | 0 | 109.8 | C299 C304 K318 H321 T322 | C299-F301 PolarHBondContact O-N 3.2Å; F301-C304 HydrophobicContact CB-CB 4.11Å; F301-C304 WeakPolarHBondContact O-CB 3.38Å; F301-C304 PolarHBondContact O-N 3.27Å; F301-K318 HydrophobicContact CE2-CB 4.19Å; F301-K318 HydrophobicContact CE2-CG 4.07Å; F301-H321 HydrophobicContact CD1-CB 3.91Å; F301-H321 HydrophobicContact CD2-CB 3.87Å; F301-H321 AromaticContact CD2-CD2 3.38Å; F301-H321 WeakPolarHBondContact CD2-CD2 3.33Å; F301-H321 AromaticContact CD2-CG 3.62Å; F301-H321 HydrophobicContact CE1-CB 3.73Å; F301-H321 HydrophobicContact CE2-CB 3.68Å; F301-H321 AromaticContact CE2-CD2 3.86Å; F301-H321 AromaticContact CE2-CG 3.94Å; F301-H321 HydrophobicContact CG-CB 3.98Å; F301-H321 AromaticContact CG-CD2 3.78Å; F301-H321 AromaticContact CG-CG 3.66Å; F301-H321 HydrophobicContact CZ-CB 3.61Å; F301-T322 HydrophobicContact CZ-CG2 4.27Å |
| 302 | P | 84.8 | Confident | 83.6 | Confident | 127 Ų | 127 | 63.4 Ų | 63.4 | 83% | 0.825 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 148.1 | 179.4 | 26.5 | -34.4 | 0 | 0 | 0 | 110.9 | C304 | P302-C304 PolarHBondContact O-N 3.25Å; P302-C304 VanDerWaalsContact O-N 3.09Å |
| 303 | G | 84.7 | Confident | 84.1 | Confident | 93 Ų | 93 | 65.3 Ų | 65.3 | 96% | 0.959 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | -8.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 304 | C | 88.5 | Confident | 84.7 | Confident | 17 Ų | 17 | 64.6 Ų | 64.6 | 12% | 0.115 | 38% | 0.384 | C | S | . | . | trans | -79 | -39.6 | -176.6 | -173.2 | 0 | 0 | 0 | 0 | 114.2 | C299 F301 P302 K306 H317 H321 | C299-C304 HydrophobicContact CB-CB 4.35Å; F301-C304 HydrophobicContact CB-CB 4.11Å; F301-C304 WeakPolarHBondContact O-CB 3.38Å; F301-C304 PolarHBondContact O-N 3.27Å; P302-C304 PolarHBondContact O-N 3.25Å; P302-C304 VanDerWaalsContact O-N 3.09Å; C304-K306 PolarHBondContact O-N 2.96Å; C304-H317 PolarHBondContact SG-NE2 2.84Å; C304-H321 WeakPolarHBondContact CB-CE1 3.45Å; C304-H321 PolarHBondContact SG-CE1 3.11Å; C304-H321 PolarHBondContact SG-NE2 3.36Å | ||
| 305 | G | 84.3 | Confident | 85.4 | Confident | 71 Ų | 71 | 68.6 Ų | 68.6 | 73% | 0.732 | 40% | 0.401 | S | S | * | . | trans | 63.4 | -13 | 179 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 306 | K | 85.4 | Confident | 85.8 | Confident | 112 Ų | 112 | 65.5 Ų | 65.5 | 49% | 0.487 | 39% | 0.389 | S | S | . | . | trans | -72.9 | 132.5 | -169.9 | -71 | 171.6 | -173.3 | -177.6 | 0 | 112.7 | C299 C304 F308 | C299-K306 WeakPolarHBondContact CB-O 3.34Å; C299-K306 PolarHBondContact N-O 2.86Å; C304-K306 PolarHBondContact O-N 2.96Å; K306-F308 HydrophobicContact CB-CE2 3.76Å; K306-F308 HydrophobicContact CB-CZ 3.93Å | ||
| 307 | V | 87.1 | Confident | 86.3 | Confident | 74 Ų | 74 | 64.9 Ų | 64.9 | 45% | 0.448 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 143 | -178.6 | -68.9 | 0 | 0 | 0 | 0 | 111.5 | K295 P298 | K295-V307 HydrophobicContact CB-CB 3.83Å; K295-V307 HydrophobicContact CB-CG2 3.77Å; K295-V307 HydrophobicContact CD-CG2 3.85Å; K295-V307 HydrophobicContact CG-CG2 4.39Å; P298-V307 HydrophobicContact CB-CG1 4.1Å |
| 308 | F | 85 | Confident | 86.6 | Confident | 42 Ų | 42 | 66.1 Ų | 66.1 | 18% | 0.184 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 141.7 | -172 | -60.5 | -92 | 0 | 0 | 0 | 112.9 | K295 F297 K306 R310 N313 L314 H317 | K295-F308 CarbonylContact C-O 3.58Å; K295-F308 WeakPolarHBondContact CA-O 3.28Å; F297-F308 HydrophobicContact CB-CB 4.29Å; F297-F308 WeakPolarHBondContact CB-O 3.28Å; F297-F308 WeakPolarHBondContact CD2-O 3.37Å; F297-F308 PolarHBondContact N-O 3.47Å; F297-F308 PolarHBondContact O-N 3.11Å; K306-F308 HydrophobicContact CB-CE2 3.76Å; K306-F308 HydrophobicContact CB-CZ 3.93Å; F308-R310 VanDerWaalsContact C-N 3.33Å; F308-N313 HydrophobicContact CB-CB 4.37Å; F308-N313 HydrophobicContact CD1-CB 3.85Å; F308-N313 HydrophobicContact CG-CB 4.4Å; F308-L314 HydrophobicContact CB-CB 4.34Å; F308-L314 HydrophobicContact CD2-CB 4.13Å; F308-L314 HydrophobicContact CD2-CD1 4.11Å; F308-L314 HydrophobicContact CE2-CD1 4.35Å; F308-L314 HydrophobicContact CG-CB 4.34Å; F308-H317 HydrophobicContact CE1-CB 4.03Å; F308-H317 HydrophobicContact CE2-CB 4.01Å; F308-H317 AromaticContact CE2-CD2 3.22Å; F308-H317 WeakPolarHBondContact CE2-CD2 3.37Å; F308-H317 AromaticContact CE2-CG 3.74Å; F308-H317 HydrophobicContact CZ-CB 3.55Å; F308-H317 AromaticContact CZ-CD2 3.31Å; F308-H317 WeakPolarHBondContact CZ-CD2 3.44Å; F308-H317 AromaticContact CZ-CG 3.36Å |
| 309 | A | 82.5 | Confident | 86.9 | Confident | 30 Ų | 30 | 65.1 Ų | 65.1 | 25% | 0.248 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -74.6 | -18.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R289 E294 K295 | R289-A309 HydrophobicContact CB-CB 4.42Å; R289-A309 WeakPolarHBondContact CD-O 3.47Å; R289-A309 PolarHBondContact NH1-O 2.91Å; E294-A309 WeakPolarHBondContact O-CB 3.48Å; K295-A309 HydrophobicContact CG-CB 4.47Å |
| 310 | R | 83.7 | Confident | 86.8 | Confident | 108 Ų | 108 | 68.9 Ų | 68.9 | 41% | 0.408 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -133.7 | 135 | -176.7 | -62.4 | -164.6 | -76.6 | 92 | 2.2 | 112.2 | N286 F308 E312 N313 L314 | N286-R310 WeakPolarHBondContact OD1-CG 3.37Å; F308-R310 VanDerWaalsContact C-N 3.33Å; R310-E312 VanDerWaalsContact C-N 3.34Å; R310-E312 PolarHBondContact O-N 3.29Å; R310-N313 PolarHBondContact NH1-OD1 3.01Å; R310-N313 PolarHBondContact NH2-ND2 3.04Å; R310-N313 PolarHBondContact NH2-OD1 2.77Å; R310-N313 WeakPolarHBondContact O-CB 3.49Å; R310-N313 PolarHBondContact O-N 2.76Å; R310-L314 PolarHBondContact O-N 3.24Å |
| 311 | S | 83.6 | Confident | 86.9 | Confident | 71 Ų | 71 | 69.3 Ų | 69.3 | 50% | 0.497 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.1 | -37.4 | -178.1 | 50.8 | 0 | 0 | 0 | 0 | 113.4 | F297 N313 L314 K315 | F297-S311 VanDerWaalsContact CD2-N 3.26Å; S311-N313 VanDerWaalsContact C-N 3.29Å; S311-N313 PolarHBondContact O-N 3.31Å; S311-L314 WeakPolarHBondContact O-CB 3.31Å; S311-L314 PolarHBondContact O-N 3.28Å; S311-K315 PolarHBondContact O-N 3.42Å |
| 312 | E | 86.3 | Confident | 87 | Confident | 88 Ų | 88 | 69.6 Ų | 69.6 | 41% | 0.411 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.6 | -32.2 | 175.4 | -172.3 | 56.6 | -151 | 0 | 0 | 112.2 | R310 K315 I316 | R310-E312 VanDerWaalsContact C-N 3.34Å; R310-E312 PolarHBondContact O-N 3.29Å; E312-K315 PolarHBondContact O-N 2.67Å; E312-K315 WeakPolarHBondContact OE2-CD 3.45Å; E312-I316 HydrophobicContact CG-CD1 4.12Å; E312-I316 WeakPolarHBondContact O-CB 3.48Å; E312-I316 VanDerWaalsContact O-CG1 3.31Å; E312-I316 WeakPolarHBondContact O-CG1 3.48Å; E312-I316 PolarHBondContact O-N 3.49Å |
| 313 | N | 88.6 | Confident | 87.1 | Confident | 55 Ų | 55 | 65.8 Ų | 65.8 | 29% | 0.294 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.3 | -40.1 | 173.8 | -68.4 | 7.9 | 0 | 0 | 0 | 110.8 | F308 R310 S311 I316 H317 | F308-N313 HydrophobicContact CB-CB 4.37Å; F308-N313 HydrophobicContact CD1-CB 3.85Å; F308-N313 HydrophobicContact CG-CB 4.4Å; R310-N313 PolarHBondContact NH1-OD1 3.01Å; R310-N313 PolarHBondContact NH2-ND2 3.04Å; R310-N313 PolarHBondContact NH2-OD1 2.77Å; R310-N313 WeakPolarHBondContact O-CB 3.49Å; R310-N313 PolarHBondContact O-N 2.76Å; S311-N313 VanDerWaalsContact C-N 3.29Å; S311-N313 PolarHBondContact O-N 3.31Å; N313-I316 PolarHBondContact O-N 3.12Å; N313-H317 VanDerWaalsContact O-CB 3.31Å; N313-H317 WeakPolarHBondContact O-CB 3.39Å; N313-H317 PolarHBondContact O-N 2.93Å |
| 314 | L | 89.7 | Confident | 87.3 | Confident | 21 Ų | 21 | 66 Ų | 66 | 11% | 0.11 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 171 | 171.8 | 61 | 0 | 0 | 0 | 111.1 | F297 P298 C299 F308 R310 S311 I316 H317 K318 | F297-L314 HydrophobicContact CB-CB 4.13Å; F297-L314 HydrophobicContact CB-CD2 3.87Å; P298-L314 WeakPolarHBondContact O-CD2 3.12Å; C299-L314 HydrophobicContact CB-CD1 4.16Å; F308-L314 HydrophobicContact CB-CB 4.34Å; F308-L314 HydrophobicContact CD2-CB 4.13Å; F308-L314 HydrophobicContact CD2-CD1 4.11Å; F308-L314 HydrophobicContact CE2-CD1 4.35Å; F308-L314 HydrophobicContact CG-CB 4.34Å; R310-L314 PolarHBondContact O-N 3.24Å; S311-L314 WeakPolarHBondContact O-CB 3.31Å; S311-L314 PolarHBondContact O-N 3.28Å; L314-I316 PolarHBondContact O-N 2.85Å; L314-H317 CarbonylContact O-C 3.33Å; L314-H317 PolarHBondContact O-N 3.37Å; L314-H317 VanDerWaalsContact O-N 3.16Å; L314-K318 HydrophobicContact CD1-CG 4.18Å; L314-K318 WeakPolarHBondContact O-CG 3.47Å; L314-K318 PolarHBondContact O-N 3.2Å |
| 315 | K | 88.9 | Confident | 87.3 | Confident | 118 Ų | 118 | 70.7 Ų | 70.7 | 51% | 0.513 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 177.9 | -170.4 | -179.4 | -177.4 | 179.7 | 0 | 111.9 | S311 E312 H317 K318 | S311-K315 PolarHBondContact O-N 3.42Å; E312-K315 PolarHBondContact O-N 2.67Å; E312-K315 WeakPolarHBondContact OE2-CD 3.45Å; K315-H317 VanDerWaalsContact C-N 3.34Å; K315-K318 PolarHBondContact O-N 3.31Å |
| 316 | I | 89.6 | Confident | 87.6 | Confident | 40 Ų | 40 | 70.4 Ų | 70.4 | 21% | 0.205 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64 | -39.2 | 173.4 | -68.9 | 164.2 | 0 | 0 | 0 | 110.9 | E312 N313 L314 R319 N340 | E312-I316 HydrophobicContact CG-CD1 4.12Å; E312-I316 WeakPolarHBondContact O-CB 3.48Å; E312-I316 VanDerWaalsContact O-CG1 3.31Å; E312-I316 WeakPolarHBondContact O-CG1 3.48Å; E312-I316 PolarHBondContact O-N 3.49Å; N313-I316 PolarHBondContact O-N 3.12Å; L314-I316 PolarHBondContact O-N 2.85Å; I316-R319 WeakPolarHBondContact O-CB 3.35Å; I316-R319 PolarHBondContact O-N 2.71Å; I316-N340 HydrophobicContact CD1-CB 3.79Å; I316-N340 HydrophobicContact CG1-CB 3.98Å; I316-N340 HydrophobicContact CG2-CB 3.85Å |
| 317 | H | 90.1 | Very high | 87.8 | Confident | 18 Ų | 18 | 67.9 Ų | 67.9 | 8% | 0.083 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.7 | -36.3 | 177.2 | 173.1 | 46.9 | 0 | 0 | 0 | 113.4 | C299 C304 F308 N313 L314 K315 R319 T320 H321 | C299-H317 PolarHBondContact SG-CD2 2.86Å; C299-H317 PolarHBondContact SG-NE2 3.09Å; C304-H317 PolarHBondContact SG-NE2 2.84Å; F308-H317 HydrophobicContact CE1-CB 4.03Å; F308-H317 HydrophobicContact CE2-CB 4.01Å; F308-H317 AromaticContact CE2-CD2 3.22Å; F308-H317 WeakPolarHBondContact CE2-CD2 3.37Å; F308-H317 AromaticContact CE2-CG 3.74Å; F308-H317 HydrophobicContact CZ-CB 3.55Å; F308-H317 AromaticContact CZ-CD2 3.31Å; F308-H317 WeakPolarHBondContact CZ-CD2 3.44Å; F308-H317 AromaticContact CZ-CG 3.36Å; N313-H317 VanDerWaalsContact O-CB 3.31Å; N313-H317 WeakPolarHBondContact O-CB 3.39Å; N313-H317 PolarHBondContact O-N 2.93Å; L314-H317 CarbonylContact O-C 3.33Å; L314-H317 PolarHBondContact O-N 3.37Å; L314-H317 VanDerWaalsContact O-N 3.16Å; K315-H317 VanDerWaalsContact C-N 3.34Å; H317-R319 PolarHBondContact O-N 3.12Å; H317-R319 VanDerWaalsContact O-N 3.11Å; H317-T320 PolarHBondContact CE1-OG1 2.99Å; H317-T320 PolarHBondContact ND1-OG1 3.06Å; H317-T320 PolarHBondContact O-N 3.38Å; H317-T320 PolarHBondContact O-OG1 3.45Å; H317-H321 AromaticContact CD2-NE2 3.32Å; H317-H321 PolarHBondContact CD2-NE2 3.07Å; H317-H321 VanDerWaalsContact CD2-NE2 3.32Å; H317-H321 AromaticContact CE1-CD2 3.78Å; H317-H321 AromaticContact CE1-NE2 2.51Å; H317-H321 PolarHBondContact CE1-NE2 3.2Å; H317-H321 AromaticContact ND1-NE2 3.6Å; H317-H321 AromaticContact NE2-CD2 3.84Å; H317-H321 AromaticContact NE2-NE2 2.23Å; H317-H321 PolarHBondContact NE2-NE2 2.88Å |
| 318 | K | 89.3 | Confident | 88 | Confident | 85 Ų | 85 | 68.8 Ų | 68.8 | 37% | 0.37 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -54.8 | -33 | 175 | -73.8 | -173.5 | -179.9 | -169.1 | 0 | 112 | F301 L314 K315 T320 H321 T322 | F301-K318 HydrophobicContact CE2-CB 4.19Å; F301-K318 HydrophobicContact CE2-CG 4.07Å; L314-K318 HydrophobicContact CD1-CG 4.18Å; L314-K318 WeakPolarHBondContact O-CG 3.47Å; L314-K318 PolarHBondContact O-N 3.2Å; K315-K318 PolarHBondContact O-N 3.31Å; K318-T320 PolarHBondContact O-N 3Å; K318-H321 WeakPolarHBondContact O-CB 3.37Å; K318-H321 PolarHBondContact O-N 3.21Å; K318-T322 PolarHBondContact O-N 2.94Å |
| 319 | R | 91.2 | Very high | 88.3 | Confident | 37 Ų | 37 | 67.1 Ų | 67.1 | 14% | 0.14 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.2 | -19.5 | 173.8 | -60.7 | -172.3 | 175.1 | 126.7 | 4.2 | 115.1 | I316 H317 T322 G323 E324 A339 | I316-R319 WeakPolarHBondContact O-CB 3.35Å; I316-R319 PolarHBondContact O-N 2.71Å; H317-R319 PolarHBondContact O-N 3.12Å; H317-R319 VanDerWaalsContact O-N 3.11Å; R319-T322 WeakPolarHBondContact CA-OG1 3.5Å; R319-G323 CarbonylContact O-C 3.3Å; R319-G323 WeakPolarHBondContact O-CA 3.27Å; R319-G323 PolarHBondContact O-N 3.44Å; R319-E324 HydrophobicContact CB-CB 3.85Å; R319-E324 WeakPolarHBondContact CB-O 3.28Å; R319-E324 HydrophobicContact CG-CB 3.73Å; R319-E324 IonicContact NE-OE2 2.71Å; R319-E324 PolarHBondContact NE-OE2 3.13Å; R319-E324 PolarHBondContact O-N 3.05Å; R319-A339 HydrophobicContact CB-CB 4.08Å; R319-A339 WeakPolarHBondContact CD-O 3.39Å; R319-A339 PolarHBondContact NH1-O 3.34Å |
| 320 | T | 88.3 | Confident | 88.6 | Confident | 93 Ų | 93 | 72.2 Ų | 72.2 | 57% | 0.571 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -76.7 | -14.5 | 172.4 | 71.9 | 0 | 0 | 0 | 0 | 112.5 | H317 K318 | H317-T320 PolarHBondContact CE1-OG1 2.99Å; H317-T320 PolarHBondContact ND1-OG1 3.06Å; H317-T320 PolarHBondContact O-N 3.38Å; H317-T320 PolarHBondContact O-OG1 3.45Å; K318-T320 PolarHBondContact O-N 3Å |
| 321 | H | 87.9 | Confident | 88.7 | Confident | 86 Ų | 86 | 72.4 Ų | 72.4 | 40% | 0.398 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -93.6 | -39.7 | 172.1 | -62.9 | -75.9 | 0 | 0 | 0 | 111.9 | C299 F301 C304 H317 K318 G323 | C299-H321 PolarHBondContact SG-NE2 3.34Å; F301-H321 HydrophobicContact CD1-CB 3.91Å; F301-H321 HydrophobicContact CD2-CB 3.87Å; F301-H321 AromaticContact CD2-CD2 3.38Å; F301-H321 WeakPolarHBondContact CD2-CD2 3.33Å; F301-H321 AromaticContact CD2-CG 3.62Å; F301-H321 HydrophobicContact CE1-CB 3.73Å; F301-H321 HydrophobicContact CE2-CB 3.68Å; F301-H321 AromaticContact CE2-CD2 3.86Å; F301-H321 AromaticContact CE2-CG 3.94Å; F301-H321 HydrophobicContact CG-CB 3.98Å; F301-H321 AromaticContact CG-CD2 3.78Å; F301-H321 AromaticContact CG-CG 3.66Å; F301-H321 HydrophobicContact CZ-CB 3.61Å; C304-H321 WeakPolarHBondContact CB-CE1 3.45Å; C304-H321 PolarHBondContact SG-CE1 3.11Å; C304-H321 PolarHBondContact SG-NE2 3.36Å; H317-H321 AromaticContact CD2-NE2 3.32Å; H317-H321 PolarHBondContact CD2-NE2 3.07Å; H317-H321 VanDerWaalsContact CD2-NE2 3.32Å; H317-H321 AromaticContact CE1-CD2 3.78Å; H317-H321 AromaticContact CE1-NE2 2.51Å; H317-H321 PolarHBondContact CE1-NE2 3.2Å; H317-H321 AromaticContact ND1-NE2 3.6Å; H317-H321 AromaticContact NE2-CD2 3.84Å; H317-H321 AromaticContact NE2-NE2 2.23Å; H317-H321 PolarHBondContact NE2-NE2 2.88Å; K318-H321 WeakPolarHBondContact O-CB 3.37Å; K318-H321 PolarHBondContact O-N 3.21Å; H321-G323 VanDerWaalsContact C-N 3.35Å |
| 322 | T | 87.6 | Confident | 88.7 | Confident | 76 Ų | 76 | 76.2 Ų | 76.2 | 47% | 0.466 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -82.9 | -8.4 | 177.1 | 61 | 0 | 0 | 0 | 0 | 114 | F301 K318 R319 E324 | F301-T322 HydrophobicContact CZ-CG2 4.27Å; K318-T322 PolarHBondContact O-N 2.94Å; R319-T322 WeakPolarHBondContact CA-OG1 3.5Å; T322-E324 WeakPolarHBondContact CB-OE1 3.36Å; T322-E324 PolarHBondContact O-N 3.13Å; T322-E324 VanDerWaalsContact OG1-CD 3.3Å; T322-E324 WeakPolarHBondContact OG1-CG 3.42Å; T322-E324 PolarHBondContact OG1-OE1 3.2Å |
| 323 | G | 86.9 | Confident | 88.6 | Confident | 47 Ų | 47 | 75.6 Ų | 75.6 | 49% | 0.485 | 40% | 0.402 | S | S | . | . | trans | 74.5 | -1.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | R319 H321 K325 | R319-G323 CarbonylContact O-C 3.3Å; R319-G323 WeakPolarHBondContact O-CA 3.27Å; R319-G323 PolarHBondContact O-N 3.44Å; H321-G323 VanDerWaalsContact C-N 3.35Å; G323-K325 PolarHBondContact O-N 2.77Å | ||
| 324 | E | 89.2 | Confident | 88.6 | Confident | 96 Ų | 96 | 73.8 Ų | 73.8 | 45% | 0.449 | 39% | 0.393 | S | S | . | . | trans | -54.3 | 115.6 | -176.4 | -84 | 169.3 | -114.2 | 0 | 0 | 113.6 | R319 T322 P326 | R319-E324 HydrophobicContact CB-CB 3.85Å; R319-E324 WeakPolarHBondContact CB-O 3.28Å; R319-E324 HydrophobicContact CG-CB 3.73Å; R319-E324 IonicContact NE-OE2 2.71Å; R319-E324 PolarHBondContact NE-OE2 3.13Å; R319-E324 PolarHBondContact O-N 3.05Å; T322-E324 WeakPolarHBondContact CB-OE1 3.36Å; T322-E324 PolarHBondContact O-N 3.13Å; T322-E324 VanDerWaalsContact OG1-CD 3.3Å; T322-E324 WeakPolarHBondContact OG1-CG 3.42Å; T322-E324 PolarHBondContact OG1-OE1 3.2Å; E324-P326 VanDerWaalsContact C-CD 3.46Å; E324-P326 WeakPolarHBondContact O-CD 3.31Å | ||
| 325 | K | 89.2 | Confident | 88.6 | Confident | 117 Ų | 117 | 78.7 Ų | 78.7 | 51% | 0.509 | 42% | 0.419 | S | S | . | . | trans | -122.6 | 71.8 | 174 | -68.2 | 164.6 | -176.8 | 172.2 | 0 | 110.4 | G323 F327 R337 F338 | G323-K325 PolarHBondContact O-N 2.77Å; K325-F327 VanDerWaalsContact C-N 3.28Å; K325-F327 PolarHBondContact O-N 3.11Å; K325-R337 HydrophobicContact CB-CB 3.6Å; K325-R337 HydrophobicContact CD-CB 4.46Å; K325-R337 PolarHBondContact O-NE 3.47Å; K325-R337 PolarHBondContact O-NH2 3.15Å; K325-R337 VanDerWaalsContact O-NH2 3.11Å; K325-F338 CarbonylContact C-O 3.53Å; K325-F338 VanDerWaalsContact C-O 3.3Å; K325-F338 VanDerWaalsContact CA-O 3.28Å; K325-F338 WeakPolarHBondContact CA-O 3.41Å | ||
| 326 | P | 88.8 | Confident | 88.6 | Confident | 65 Ų | 65 | 80.6 Ų | 80.6 | 42% | 0.422 | 42% | 0.424 | S | S | . | . | trans | -66.4 | -26.6 | -174.4 | 24.6 | -32.8 | 0 | 0 | 0 | 113.4 | E324 K328 | E324-P326 VanDerWaalsContact C-CD 3.46Å; E324-P326 WeakPolarHBondContact O-CD 3.31Å; P326-K328 PolarHBondContact O-N 3.43Å | ||
| 327 | F | 89.8 | Confident | 88.7 | Confident | 58 Ų | 58 | 85.6 Ų | 85.6 | 25% | 0.254 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 93.5 | -176.5 | -55.4 | -79.8 | 0 | 0 | 0 | 110.9 | K325 R337 F338 N340 R344 | K325-F327 VanDerWaalsContact C-N 3.28Å; K325-F327 PolarHBondContact O-N 3.11Å; F327-R337 CarbonylContact O-C 3.54Å; F327-R337 WeakPolarHBondContact O-CA 3.36Å; F327-F338 HydrophobicContact CB-CB 4.32Å; F327-F338 PolarHBondContact N-O 2.87Å; F327-F338 VanDerWaalsContact N-O 3.17Å; F327-F338 PolarHBondContact O-N 3.11Å; F327-N340 VanDerWaalsContact CD2-CA 3.46Å; F327-R344 HydrophobicContact CB-CB 4.35Å |
| 328 | K | 91.1 | Very high | 88.7 | Confident | 94 Ų | 94 | 86.3 Ų | 86.3 | 41% | 0.409 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 145.9 | 165.4 | -163.2 | -167.1 | 169.2 | 171.8 | 0 | 109.7 | P326 C334 D335 R337 R344 | P326-K328 PolarHBondContact O-N 3.43Å; K328-C334 WeakPolarHBondContact CE-O 3.4Å; K328-D335 WeakPolarHBondContact CE-OD1 3.46Å; K328-D335 IonicContact NZ-OD1 3.7Å; K328-D335 PolarHBondContact NZ-OD1 3.29Å; K328-R337 HydrophobicContact CB-CG 4.23Å; K328-R337 HydrophobicContact CG-CG 4.11Å; K328-R344 WeakPolarHBondContact O-CD 3.42Å; K328-R344 PolarHBondContact O-NH1 2.97Å |
| 329 | C | 91.8 | Very high | 88.7 | Confident | 6 Ų | 6 | 83.3 Ų | 83.3 | 4% | 0.041 | 43% | 0.433 | C | S | . | . | trans | -48.7 | 146.5 | 157.7 | -173.3 | 0 | 0 | 0 | 0 | 111.2 | F331 C334 R336 M348 | C329-F331 PolarHBondContact SG-N 2.74Å; C329-F331 VanDerWaalsContact SG-N 3.38Å; C329-C334 HydrophobicContact CB-CB 4.25Å; C329-C334 WeakPolarHBondContact CB-O 3.5Å; C329-C334 VanDerWaalsContact SG-SG 3.64Å; C329-R336 WeakPolarHBondContact CB-O 3.45Å; C329-R336 PolarHBondContact N-O 2.83Å; C329-M348 HydrophobicContact CB-CE 4.09Å; C329-M348 WeakPolarHBondContact SG-CE 3.35Å | ||
| 330 | E | 89 | Confident | 88.6 | Confident | 137 Ų | 137 | 82.5 Ų | 82.5 | 64% | 0.64 | 43% | 0.432 | S | S | * | . | trans | -104.8 | -4.3 | 179.3 | -72.4 | 158.6 | 165.6 | 0 | 0 | 112.3 | R344 | E330-R344 IonicContact OE1-CZ 3.95Å; E330-R344 IonicContact OE1-NH1 2.61Å; E330-R344 PolarHBondContact OE1-NH1 2.86Å; E330-R344 IonicContact OE1-NH2 2.67Å; E330-R344 PolarHBondContact OE1-NH2 2.7Å; E330-R344 IonicContact OE2-CZ 3.49Å; E330-R344 IonicContact OE2-NE 3.5Å; E330-R344 IonicContact OE2-NH1 3.94Å; E330-R344 PolarHBondContact OE2-NH1 2.9Å; E330-R344 IonicContact OE2-NH2 2.67Å; E330-R344 PolarHBondContact OE2-NH2 2.88Å | ||
| 331 | F | 86.8 | Confident | 88.6 | Confident | 112 Ų | 112 | 80.8 Ų | 80.8 | 49% | 0.491 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -80.7 | 133.2 | 172 | -172.9 | -93.7 | 0 | 0 | 0 | 110 | C329 C334 H351 | C329-F331 PolarHBondContact SG-N 2.74Å; C329-F331 VanDerWaalsContact SG-N 3.38Å; F331-C334 HydrophobicContact CB-CB 4.48Å; F331-C334 HydrophobicContact CD1-CB 4.23Å; F331-C334 WeakPolarHBondContact O-CB 3.39Å; F331-C334 PolarHBondContact O-N 2.67Å; F331-H351 HydrophobicContact CB-CB 4.4Å; F331-H351 HydrophobicContact CD1-CB 4.25Å; F331-H351 AromaticContact CD1-CE1 3.59Å; F331-H351 AromaticContact CD1-CG 3.66Å; F331-H351 AromaticContact CD1-ND1 3.29Å; F331-H351 VanDerWaalsContact CD1-ND1 3.29Å; F331-H351 WeakPolarHBondContact CD1-ND1 2.91Å; F331-H351 HydrophobicContact CD2-CB 3.66Å; F331-H351 AromaticContact CD2-CG 3.89Å; F331-H351 HydrophobicContact CE1-CB 4.47Å; F331-H351 AromaticContact CE1-ND1 3.61Å; F331-H351 HydrophobicContact CE2-CB 3.91Å; F331-H351 HydrophobicContact CG-CB 3.84Å; F331-H351 AromaticContact CG-CD2 3.82Å; F331-H351 AromaticContact CG-CG 3.51Å; F331-H351 AromaticContact CG-ND1 3.68Å; F331-H351 HydrophobicContact CZ-CB 4.31Å |
| 332 | D | 83.6 | Confident | 88.7 | Confident | 151 Ų | 151 | 80.1 Ų | 80.1 | 81% | 0.807 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | 151.6 | -177.7 | -165.4 | 19.8 | 0 | 0 | 0 | 112.2 | C334 | D332-C334 PolarHBondContact O-N 2.84Š|
| 333 | G | 83.8 | Confident | 88.7 | Confident | 76 Ų | 76 | 79.2 Ų | 79.2 | 78% | 0.784 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 7.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 334 | C | 88.4 | Confident | 88.9 | Confident | 17 Ų | 17 | 79.4 Ų | 79.4 | 12% | 0.115 | 41% | 0.407 | C | S | . | . | trans | -117.8 | 101.5 | 178.1 | -171.7 | 0 | 0 | 0 | 0 | 113 | K328 C329 F331 D332 R336 H347 H351 | K328-C334 WeakPolarHBondContact CE-O 3.4Å; C329-C334 HydrophobicContact CB-CB 4.25Å; C329-C334 WeakPolarHBondContact CB-O 3.5Å; C329-C334 VanDerWaalsContact SG-SG 3.64Å; F331-C334 HydrophobicContact CB-CB 4.48Å; F331-C334 HydrophobicContact CD1-CB 4.23Å; F331-C334 WeakPolarHBondContact O-CB 3.39Å; F331-C334 PolarHBondContact O-N 2.67Å; D332-C334 PolarHBondContact O-N 2.84Å; C334-R336 PolarHBondContact O-N 3.17Å; C334-H347 PolarHBondContact SG-NE2 3.1Å; C334-H351 VanDerWaalsContact SG-CE1 3.53Å; C334-H351 PolarHBondContact SG-NE2 2.94Å; C334-H351 VanDerWaalsContact SG-NE2 3.38Å | ||
| 335 | D | 89.1 | Confident | 88.8 | Confident | 123 Ų | 123 | 82 Ų | 82 | 66% | 0.658 | 42% | 0.417 | S | S | * | . | trans | -83.1 | 15.1 | 178.6 | -74.4 | -59.9 | 0 | 0 | 0 | 115.5 | K328 R337 | K328-D335 WeakPolarHBondContact CE-OD1 3.46Å; K328-D335 IonicContact NZ-OD1 3.7Å; K328-D335 PolarHBondContact NZ-OD1 3.29Å; D335-R337 PolarHBondContact O-N 3.45Å | ||
| 336 | R | 88.6 | Confident | 88.5 | Confident | 159 Ų | 159 | 81.5 Ų | 81.5 | 60% | 0.6 | 42% | 0.415 | S | S | * | . | trans | -71.6 | 120.9 | -174.8 | -152.9 | 168.8 | -170.9 | 149.5 | 2 | 111.4 | C329 C334 F338 H347 | C329-R336 WeakPolarHBondContact CB-O 3.45Å; C329-R336 PolarHBondContact N-O 2.83Å; C334-R336 PolarHBondContact O-N 3.17Å; R336-F338 HydrophobicContact CB-CE2 4.02Å; R336-F338 HydrophobicContact CB-CZ 4.28Å; R336-F338 HydrophobicContact CG-CE2 3.92Å; R336-F338 HydrophobicContact CG-CZ 3.73Å; R336-F338 WeakPolarHBondContact O-CE2 3.47Å; R336-H347 WeakPolarHBondContact CD-NE2 3.26Å | ||
| 337 | R | 92.3 | Very high | 88.5 | Confident | 144 Ų | 144 | 79.2 Ų | 79.2 | 54% | 0.543 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 145.6 | -178.6 | -57.5 | 178.9 | 66.4 | 157.5 | 5.1 | 112.8 | K325 F327 K328 D335 | K325-R337 HydrophobicContact CB-CB 3.6Å; K325-R337 HydrophobicContact CD-CB 4.46Å; K325-R337 PolarHBondContact O-NE 3.47Å; K325-R337 PolarHBondContact O-NH2 3.15Å; K325-R337 VanDerWaalsContact O-NH2 3.11Å; F327-R337 CarbonylContact O-C 3.54Å; F327-R337 WeakPolarHBondContact O-CA 3.36Å; K328-R337 HydrophobicContact CB-CG 4.23Å; K328-R337 HydrophobicContact CG-CG 4.11Å; D335-R337 PolarHBondContact O-N 3.45Å |
| 338 | F | 89.6 | Confident | 88.2 | Confident | 34 Ų | 34 | 78.3 Ų | 78.3 | 15% | 0.149 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 148.9 | -172.7 | -60.3 | -94.3 | 0 | 0 | 0 | 112.8 | K325 F327 R336 N340 D343 R344 H347 | K325-F338 CarbonylContact C-O 3.53Å; K325-F338 VanDerWaalsContact C-O 3.3Å; K325-F338 VanDerWaalsContact CA-O 3.28Å; K325-F338 WeakPolarHBondContact CA-O 3.41Å; F327-F338 HydrophobicContact CB-CB 4.32Å; F327-F338 PolarHBondContact N-O 2.87Å; F327-F338 VanDerWaalsContact N-O 3.17Å; F327-F338 PolarHBondContact O-N 3.11Å; R336-F338 HydrophobicContact CB-CE2 4.02Å; R336-F338 HydrophobicContact CB-CZ 4.28Å; R336-F338 HydrophobicContact CG-CE2 3.92Å; R336-F338 HydrophobicContact CG-CZ 3.73Å; R336-F338 WeakPolarHBondContact O-CE2 3.47Å; F338-N340 VanDerWaalsContact C-N 3.33Å; F338-N340 WeakPolarHBondContact CB-O 3.3Å; F338-D343 HydrophobicContact CD1-CB 4Å; F338-R344 HydrophobicContact CB-CB 4.23Å; F338-R344 HydrophobicContact CD2-CB 3.8Å; F338-R344 HydrophobicContact CD2-CG 4.03Å; F338-R344 HydrophobicContact CE2-CB 4.49Å; F338-R344 HydrophobicContact CE2-CG 4.44Å; F338-R344 HydrophobicContact CG-CB 4.04Å; F338-H347 HydrophobicContact CE1-CB 4.04Å; F338-H347 HydrophobicContact CE2-CB 4.14Å; F338-H347 AromaticContact CE2-CD2 3.41Å; F338-H347 VanDerWaalsContact CE2-CD2 3.41Å; F338-H347 WeakPolarHBondContact CE2-CD2 3.37Å; F338-H347 HydrophobicContact CZ-CB 3.51Å; F338-H347 AromaticContact CZ-CD2 3.27Å; F338-H347 WeakPolarHBondContact CZ-CD2 3.49Å; F338-H347 AromaticContact CZ-CG 3.48Å; F338-H347 VanDerWaalsContact CZ-CG 3.48Å |
| 339 | A | 88.7 | Confident | 87.8 | Confident | 21 Ų | 21 | 76.6 Ų | 76.6 | 17% | 0.174 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -77.8 | -15.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R319 | R319-A339 HydrophobicContact CB-CB 4.08Å; R319-A339 WeakPolarHBondContact CD-O 3.39Å; R319-A339 PolarHBondContact NH1-O 3.34Å |
| 340 | N | 90.5 | Very high | 87.3 | Confident | 20 Ų | 20 | 80.9 Ų | 80.9 | 11% | 0.107 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -142.8 | 155.4 | 174.2 | 70.9 | 78.6 | 0 | 0 | 0 | 111.8 | I316 F327 F338 S342 D343 R344 | I316-N340 HydrophobicContact CD1-CB 3.79Å; I316-N340 HydrophobicContact CG1-CB 3.98Å; I316-N340 HydrophobicContact CG2-CB 3.85Å; F327-N340 VanDerWaalsContact CD2-CA 3.46Å; F338-N340 VanDerWaalsContact C-N 3.33Å; F338-N340 WeakPolarHBondContact CB-O 3.3Å; N340-S342 WeakPolarHBondContact OD1-CB 3.28Å; N340-S342 PolarHBondContact OD1-N 3.31Å; N340-S342 VanDerWaalsContact OD1-N 3.15Å; N340-D343 PolarHBondContact ND2-OD2 2.83Å; N340-D343 PolarHBondContact OD1-N 2.94Å; N340-D343 PolarHBondContact OD1-OD2 3.19Å; N340-R344 PolarHBondContact O-N 3.49Å |
| 341 | S | 88.6 | Confident | 87 | Confident | 58 Ų | 58 | 76.9 Ų | 76.9 | 41% | 0.406 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -71.5 | -28.2 | -178.4 | 52.3 | 0 | 0 | 0 | 0 | 113.8 | R344 K345 | S341-R344 PolarHBondContact O-N 3.26Å; S341-K345 PolarHBondContact O-N 3.2Å |
| 342 | S | 88.2 | Confident | 86.4 | Confident | 72 Ų | 72 | 75.2 Ų | 75.2 | 50% | 0.503 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.4 | -41.6 | 179.5 | -55.7 | 0 | 0 | 0 | 0 | 112.1 | N340 K345 K346 | N340-S342 WeakPolarHBondContact OD1-CB 3.28Å; N340-S342 PolarHBondContact OD1-N 3.31Å; N340-S342 VanDerWaalsContact OD1-N 3.15Å; S342-K345 PolarHBondContact O-N 3.37Å; S342-K346 WeakPolarHBondContact O-CG 3.49Å; S342-K346 PolarHBondContact O-N 2.99Å |
| 343 | D | 88.6 | Confident | 85.6 | Confident | 57 Ų | 57 | 72.2 Ų | 72.2 | 31% | 0.305 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -75 | -31.9 | 178.2 | -66.1 | -24.8 | 0 | 0 | 0 | 111.9 | F338 N340 K346 H347 | F338-D343 HydrophobicContact CD1-CB 4Å; N340-D343 PolarHBondContact ND2-OD2 2.83Å; N340-D343 PolarHBondContact OD1-N 2.94Å; N340-D343 PolarHBondContact OD1-OD2 3.19Å; D343-K346 PolarHBondContact O-N 3.03Å; D343-K346 WeakPolarHBondContact OD1-CD 3.41Å; D343-K346 WeakPolarHBondContact OD1-CE 3.36Å; D343-K346 IonicContact OD1-NZ 2.71Å; D343-K346 PolarHBondContact OD1-NZ 3.32Å; D343-H347 WeakPolarHBondContact O-CB 3.27Å; D343-H347 PolarHBondContact O-N 3.47Å |
| 344 | R | 90.7 | Very high | 84.9 | Confident | 51 Ų | 51 | 73.4 Ų | 73.4 | 19% | 0.192 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57.6 | -51.6 | 163.8 | -174 | -171.4 | 70.8 | 171.8 | 14.6 | 110.5 | F327 K328 E330 F338 N340 S341 K346 H347 M348 | F327-R344 HydrophobicContact CB-CB 4.35Å; K328-R344 WeakPolarHBondContact O-CD 3.42Å; K328-R344 PolarHBondContact O-NH1 2.97Å; E330-R344 IonicContact OE1-CZ 3.95Å; E330-R344 IonicContact OE1-NH1 2.61Å; E330-R344 PolarHBondContact OE1-NH1 2.86Å; E330-R344 IonicContact OE1-NH2 2.67Å; E330-R344 PolarHBondContact OE1-NH2 2.7Å; E330-R344 IonicContact OE2-CZ 3.49Å; E330-R344 IonicContact OE2-NE 3.5Å; E330-R344 IonicContact OE2-NH1 3.94Å; E330-R344 PolarHBondContact OE2-NH1 2.9Å; E330-R344 IonicContact OE2-NH2 2.67Å; E330-R344 PolarHBondContact OE2-NH2 2.88Å; F338-R344 HydrophobicContact CB-CB 4.23Å; F338-R344 HydrophobicContact CD2-CB 3.8Å; F338-R344 HydrophobicContact CD2-CG 4.03Å; F338-R344 HydrophobicContact CE2-CB 4.49Å; F338-R344 HydrophobicContact CE2-CG 4.44Å; F338-R344 HydrophobicContact CG-CB 4.04Å; N340-R344 PolarHBondContact O-N 3.49Å; S341-R344 PolarHBondContact O-N 3.26Å; R344-K346 VanDerWaalsContact C-N 3.3Å; R344-K346 PolarHBondContact O-N 3.26Å; R344-H347 WeakPolarHBondContact O-CA 3.47Å; R344-H347 WeakPolarHBondContact O-CB 3.41Å; R344-H347 PolarHBondContact O-N 2.84Å; R344-M348 HydrophobicContact CG-CE 3.98Å; R344-M348 HydrophobicContact CG-SD 4.32Å; R344-M348 WeakPolarHBondContact O-CE 3.47Å; R344-M348 WeakPolarHBondContact O-CG 3.47Å; R344-M348 PolarHBondContact O-N 3.43Å; R344-M348 VanDerWaalsContact O-N 3.14Å |
| 345 | K | 87.2 | Confident | 84.1 | Confident | 151 Ų | 151 | 78.2 Ų | 78.2 | 66% | 0.657 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -59.1 | -40.8 | -179.5 | -173.4 | 164.4 | -177.6 | 168.5 | 0 | 111.8 | S341 S342 H347 M348 H349 | S341-K345 PolarHBondContact O-N 3.2Å; S342-K345 PolarHBondContact O-N 3.37Å; K345-H347 VanDerWaalsContact C-N 3.29Å; K345-H347 PolarHBondContact O-N 3.36Å; K345-M348 PolarHBondContact O-N 3Å; K345-H349 PolarHBondContact O-CD2 3.19Å; K345-H349 VanDerWaalsContact O-CD2 3.31Å |
| 346 | K | 84 | Confident | 83.5 | Confident | 105 Ų | 105 | 76.2 Ų | 76.2 | 46% | 0.457 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60 | -37 | 172.9 | -68.5 | 170.3 | -161.4 | 164.1 | 0 | 113.1 | S342 D343 R344 H368 | S342-K346 WeakPolarHBondContact O-CG 3.49Å; S342-K346 PolarHBondContact O-N 2.99Å; D343-K346 PolarHBondContact O-N 3.03Å; D343-K346 WeakPolarHBondContact OD1-CD 3.41Å; D343-K346 WeakPolarHBondContact OD1-CE 3.36Å; D343-K346 IonicContact OD1-NZ 2.71Å; D343-K346 PolarHBondContact OD1-NZ 3.32Å; R344-K346 VanDerWaalsContact C-N 3.3Å; R344-K346 PolarHBondContact O-N 3.26Å; K346-H368 PolarHBondContact O-NE2 3.5Å |
| 347 | H | 87.1 | Confident | 83.2 | Confident | 17 Ų | 17 | 72.9 Ų | 72.9 | 8% | 0.079 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -69.5 | -29.3 | 177.8 | 173.3 | 41.7 | 0 | 0 | 0 | 113.2 | C334 R336 F338 D343 R344 K345 H349 V350 H351 | C334-H347 PolarHBondContact SG-NE2 3.1Å; R336-H347 WeakPolarHBondContact CD-NE2 3.26Å; F338-H347 HydrophobicContact CE1-CB 4.04Å; F338-H347 HydrophobicContact CE2-CB 4.14Å; F338-H347 AromaticContact CE2-CD2 3.41Å; F338-H347 VanDerWaalsContact CE2-CD2 3.41Å; F338-H347 WeakPolarHBondContact CE2-CD2 3.37Å; F338-H347 HydrophobicContact CZ-CB 3.51Å; F338-H347 AromaticContact CZ-CD2 3.27Å; F338-H347 WeakPolarHBondContact CZ-CD2 3.49Å; F338-H347 AromaticContact CZ-CG 3.48Å; F338-H347 VanDerWaalsContact CZ-CG 3.48Å; D343-H347 WeakPolarHBondContact O-CB 3.27Å; D343-H347 PolarHBondContact O-N 3.47Å; R344-H347 WeakPolarHBondContact O-CA 3.47Å; R344-H347 WeakPolarHBondContact O-CB 3.41Å; R344-H347 PolarHBondContact O-N 2.84Å; K345-H347 VanDerWaalsContact C-N 3.29Å; K345-H347 PolarHBondContact O-N 3.36Å; H347-H349 PolarHBondContact O-N 3Å; H347-H349 VanDerWaalsContact O-N 3.15Å; H347-V350 VanDerWaalsContact O-CB 3.23Å; H347-V350 WeakPolarHBondContact O-CB 3.41Å; H347-V350 WeakPolarHBondContact O-CG2 3.36Å; H347-V350 PolarHBondContact O-N 2.93Å; H347-H351 AromaticContact CE1-NE2 3.53Å; H347-H351 AromaticContact NE2-NE2 3.43Å; H347-H351 PolarHBondContact NE2-NE2 3.27Å |
| 348 | M | 84.6 | Confident | 82.8 | Confident | 39 Ų | 39 | 71.5 Ų | 71.5 | 19% | 0.192 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.2 | -32.7 | -178.3 | -54.9 | -59.3 | 77.8 | 0 | 0 | 112.2 | C329 R344 K345 V350 H351 T352 | C329-M348 HydrophobicContact CB-CE 4.09Å; C329-M348 WeakPolarHBondContact SG-CE 3.35Å; R344-M348 HydrophobicContact CG-CE 3.98Å; R344-M348 HydrophobicContact CG-SD 4.32Å; R344-M348 WeakPolarHBondContact O-CE 3.47Å; R344-M348 WeakPolarHBondContact O-CG 3.47Å; R344-M348 PolarHBondContact O-N 3.43Å; R344-M348 VanDerWaalsContact O-N 3.14Å; K345-M348 PolarHBondContact O-N 3Å; M348-V350 PolarHBondContact O-N 2.98Å; M348-H351 WeakPolarHBondContact O-CB 3.46Å; M348-H351 PolarHBondContact O-N 3.47Å; M348-T352 PolarHBondContact O-N 3.39Å; M348-T352 PolarHBondContact O-OG1 3Å; M348-T352 VanDerWaalsContact O-OG1 3.14Å |
| 349 | H | 82.5 | Confident | 82.7 | Confident | 59 Ų | 59 | 70.4 Ų | 70.4 | 27% | 0.273 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.6 | -11.4 | 173.4 | -59.2 | -88.4 | 0 | 0 | 0 | 114.7 | K345 H347 H368 | K345-H349 PolarHBondContact O-CD2 3.19Å; K345-H349 VanDerWaalsContact O-CD2 3.31Å; H347-H349 PolarHBondContact O-N 3Å; H347-H349 VanDerWaalsContact O-N 3.15Å; H349-H368 AromaticContact CD2-CE1 3.58Å; H349-H368 AromaticContact CD2-NE2 3.82Å |
| 350 | V | 82.1 | Confident | 82.5 | Confident | 96 Ų | 96 | 79.1 Ų | 79.1 | 58% | 0.582 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -74.5 | -33.6 | 169.9 | -179.3 | 0 | 0 | 0 | 0 | 110.8 | H347 M348 | H347-V350 VanDerWaalsContact O-CB 3.23Å; H347-V350 WeakPolarHBondContact O-CB 3.41Å; H347-V350 WeakPolarHBondContact O-CG2 3.36Å; H347-V350 PolarHBondContact O-N 2.93Å; M348-V350 PolarHBondContact O-N 2.98Å |
| 351 | H | 81.4 | Confident | 82.1 | Confident | 52 Ų | 52 | 83.2 Ų | 83.2 | 24% | 0.241 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -82.3 | -38.5 | 178.1 | -59.2 | -64.9 | 0 | 0 | 0 | 111.8 | F331 C334 H347 M348 S353 | F331-H351 HydrophobicContact CB-CB 4.4Å; F331-H351 HydrophobicContact CD1-CB 4.25Å; F331-H351 AromaticContact CD1-CE1 3.59Å; F331-H351 AromaticContact CD1-CG 3.66Å; F331-H351 AromaticContact CD1-ND1 3.29Å; F331-H351 VanDerWaalsContact CD1-ND1 3.29Å; F331-H351 WeakPolarHBondContact CD1-ND1 2.91Å; F331-H351 HydrophobicContact CD2-CB 3.66Å; F331-H351 AromaticContact CD2-CG 3.89Å; F331-H351 HydrophobicContact CE1-CB 4.47Å; F331-H351 AromaticContact CE1-ND1 3.61Å; F331-H351 HydrophobicContact CE2-CB 3.91Å; F331-H351 HydrophobicContact CG-CB 3.84Å; F331-H351 AromaticContact CG-CD2 3.82Å; F331-H351 AromaticContact CG-CG 3.51Å; F331-H351 AromaticContact CG-ND1 3.68Å; F331-H351 HydrophobicContact CZ-CB 4.31Å; C334-H351 VanDerWaalsContact SG-CE1 3.53Å; C334-H351 PolarHBondContact SG-NE2 2.94Å; C334-H351 VanDerWaalsContact SG-NE2 3.38Å; H347-H351 AromaticContact CE1-NE2 3.53Å; H347-H351 AromaticContact NE2-NE2 3.43Å; H347-H351 PolarHBondContact NE2-NE2 3.27Å; M348-H351 WeakPolarHBondContact O-CB 3.46Å; M348-H351 PolarHBondContact O-N 3.47Å; H351-S353 PolarHBondContact O-N 3.43Å |
| 352 | T | 74.3 | Confident | 82.1 | Confident | 77 Ų | 77 | 82.1 Ų | 82.1 | 47% | 0.472 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.4 | -21.2 | -179 | -34.2 | 0 | 0 | 0 | 0 | 113.4 | M348 D354 | M348-T352 PolarHBondContact O-N 3.39Å; M348-T352 PolarHBondContact O-OG1 3Å; M348-T352 VanDerWaalsContact O-OG1 3.14Å; T352-D354 HydrophobicContact CG2-CB 4.24Å; T352-D354 VanDerWaalsContact CG2-OD2 3.3Å; T352-D354 WeakPolarHBondContact CG2-OD2 3.4Å; T352-D354 PolarHBondContact O-N 3.24Å |
| 353 | S | 67.4 | Low | 81.8 | Confident | 88 Ų | 88 | 86.1 Ų | 86.1 | 62% | 0.615 | 44% | 0.436 | S | S | * | . | trans | 59.4 | -15.4 | -174.5 | -61.5 | 0 | 0 | 0 | 0 | 117 | H351 K355 | H351-S353 PolarHBondContact O-N 3.43Å; S353-K355 PolarHBondContact O-N 3.32Å | ||
| 354 | D | 68.9 | Low | 81.5 | Confident | 102 Ų | 102 | 89.1 Ų | 89.1 | 55% | 0.545 | 45% | 0.446 | S | S | . | . | trans | -52.8 | 123.3 | 175.6 | -77.4 | -27 | 0 | 0 | 0 | 113.2 | T352 P356 | T352-D354 HydrophobicContact CG2-CB 4.24Å; T352-D354 VanDerWaalsContact CG2-OD2 3.3Å; T352-D354 WeakPolarHBondContact CG2-OD2 3.4Å; T352-D354 PolarHBondContact O-N 3.24Å; D354-P356 VanDerWaalsContact O-CD 3.23Å; D354-P356 WeakPolarHBondContact O-CD 3.47Å | ||
| 355 | K | 72.7 | Confident | 81.1 | Confident | 118 Ų | 118 | 88.8 Ų | 88.8 | 51% | 0.513 | 45% | 0.452 | S | S | . | . | trans | -116.1 | 63.8 | 175.7 | -65.2 | 169 | -172.5 | 173.6 | 0 | 111 | S353 Y357 S365 Y366 T367 | S353-K355 PolarHBondContact O-N 3.32Å; K355-Y357 PolarHBondContact O-N 3.31Å; K355-Y357 VanDerWaalsContact O-N 3.08Å; K355-S365 VanDerWaalsContact CD-OG 3.25Å; K355-S365 WeakPolarHBondContact CD-OG 3.4Å; K355-Y366 CarbonylContact C-O 3.18Å; K355-Y366 VanDerWaalsContact C-O 3.27Å; K355-Y366 VanDerWaalsContact CA-O 3.29Å; K355-Y366 WeakPolarHBondContact CA-O 3.44Å; K355-T367 HydrophobicContact CG-CG2 3.79Å | ||
| 356 | P | 76.6 | Confident | 80.8 | Confident | 81 Ų | 81 | 84.1 Ų | 84.1 | 53% | 0.526 | 43% | 0.43 | S | S | . | . | trans | -69.8 | -8.1 | -171.9 | 31 | -37 | 0 | 0 | 0 | 113.7 | D354 L358 | D354-P356 VanDerWaalsContact O-CD 3.23Å; D354-P356 WeakPolarHBondContact O-CD 3.47Å; P356-L358 PolarHBondContact O-N 3.28Å | ||
| 357 | Y | 80.9 | Confident | 80.6 | Confident | 89 Ų | 89 | 81 Ų | 81 | 35% | 0.349 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 80.3 | -179.4 | -51.5 | -64.6 | 0 | 0 | 0 | 110.4 | K355 Y366 H368 P369 | K355-Y357 PolarHBondContact O-N 3.31Å; K355-Y357 VanDerWaalsContact O-N 3.08Å; Y357-Y366 WeakPolarHBondContact CB-O 3.09Å; Y357-Y366 WeakPolarHBondContact CD2-O 3.32Å; Y357-Y366 PolarHBondContact N-O 3.19Å; Y357-Y366 PolarHBondContact O-N 2.67Å; Y357-H368 VanDerWaalsContact CD2-C 3.5Å; Y357-P369 HydrophobicContact CD1-CB 4.48Å; Y357-P369 HydrophobicContact CD1-CG 4.15Å; Y357-P369 HydrophobicContact CD2-CG 4.16Å; Y357-P369 HydrophobicContact CE1-CG 3.77Å; Y357-P369 VanDerWaalsContact CE2-CD 3.45Å; Y357-P369 HydrophobicContact CE2-CG 3.76Å; Y357-P369 HydrophobicContact CG-CG 4.33Å |
| 358 | L | 85.3 | Confident | 80.3 | Confident | 114 Ų | 114 | 82.1 Ų | 82.1 | 60% | 0.597 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 140.1 | 172.4 | -72.7 | 156.3 | 0 | 0 | 0 | 111.3 | P356 L372 | P356-L358 PolarHBondContact O-N 3.28Å; L358-L372 WeakPolarHBondContact O-CD2 3.46Å |
| 359 | C | 87.3 | Confident | 80.1 | Confident | 12 Ų | 12 | 82.9 Ų | 82.9 | 8% | 0.081 | 43% | 0.433 | C | S | . | . | trans | -73.4 | 150.4 | 162.2 | -172 | 0 | 0 | 0 | 0 | 110.2 | C362 K364 L372 H375 | C359-C362 WeakPolarHBondContact CB-O 3.3Å; C359-K364 WeakPolarHBondContact CB-O 3.5Å; C359-K364 PolarHBondContact N-O 3.24Å; C359-L372 HydrophobicContact CB-CD1 3.79Å; C359-H375 PolarHBondContact SG-NE2 3.15Å | ||
| 360 | K | 83.9 | Confident | 80.2 | Confident | 203 Ų | 203 | 83.3 Ų | 83.3 | 88% | 0.883 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -95 | -7.7 | 178.3 | -66.7 | -167.4 | 175.8 | -168.4 | 0 | 113.6 | ||
| 361 | M | 81.7 | Confident | 80.4 | Confident | 106 Ų | 106 | 80.9 Ų | 80.9 | 52% | 0.522 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -123.8 | 5 | -174.8 | -50.4 | -145.4 | -53.5 | 0 | 0 | 113.4 | H379 | M361-H379 HydrophobicContact CE-CB 3.52Å; M361-H379 PolarHBondContact O-CE1 3.38Å; M361-H379 VanDerWaalsContact O-CE1 3.29Å |
| 362 | C | 88.4 | Confident | 80.7 | Confident | 35 Ų | 35 | 79.9 Ų | 79.9 | 24% | 0.236 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -166.2 | 166.2 | 158.5 | 63.5 | 0 | 0 | 0 | 0 | 109.1 | C359 K364 H375 H379 | C359-C362 WeakPolarHBondContact CB-O 3.3Å; C362-K364 PolarHBondContact O-N 2.88Å; C362-H375 PolarHBondContact SG-NE2 3.06Å; C362-H375 VanDerWaalsContact SG-NE2 3.39Å; C362-H379 PolarHBondContact SG-NE2 2.87Å |
| 363 | D | 81.4 | Confident | 81.3 | Confident | 157 Ų | 157 | 84.5 Ų | 84.5 | 84% | 0.84 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -74.4 | 19.6 | -172.4 | -46.2 | -74.4 | 0 | 0 | 0 | 115 | S365 | D363-S365 PolarHBondContact O-N 2.9Š|
| 364 | K | 82.5 | Confident | 82.2 | Confident | 119 Ų | 119 | 88.1 Ų | 88.1 | 52% | 0.517 | 44% | 0.44 | S | S | . | . | trans | -80 | 116.7 | -177.6 | -67.5 | 177.7 | -172.4 | 166.6 | 0 | 110.6 | C359 C362 Y366 | C359-K364 WeakPolarHBondContact CB-O 3.5Å; C359-K364 PolarHBondContact N-O 3.24Å; C362-K364 PolarHBondContact O-N 2.88Å; K364-Y366 HydrophobicContact CB-CE2 3.75Å; K364-Y366 VanDerWaalsContact O-CE2 3.32Å; K364-Y366 WeakPolarHBondContact O-CE2 3.46Å | ||
| 365 | S | 82.6 | Confident | 83.1 | Confident | 45 Ų | 45 | 84.1 Ų | 84.1 | 32% | 0.315 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 142.6 | 178.4 | 60.4 | 0 | 0 | 0 | 0 | 112.3 | K355 D363 | K355-S365 VanDerWaalsContact CD-OG 3.25Å; K355-S365 WeakPolarHBondContact CD-OG 3.4Å; D363-S365 PolarHBondContact O-N 2.9Å |
| 366 | Y | 81.1 | Confident | 83.7 | Confident | 52 Ų | 52 | 80.8 Ų | 80.8 | 20% | 0.204 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 145.4 | -174 | -63.7 | -88 | 0 | 0 | 0 | 112.4 | K355 Y357 K364 H368 L372 H375 | K355-Y366 CarbonylContact C-O 3.18Å; K355-Y366 VanDerWaalsContact C-O 3.27Å; K355-Y366 VanDerWaalsContact CA-O 3.29Å; K355-Y366 WeakPolarHBondContact CA-O 3.44Å; Y357-Y366 WeakPolarHBondContact CB-O 3.09Å; Y357-Y366 WeakPolarHBondContact CD2-O 3.32Å; Y357-Y366 PolarHBondContact N-O 3.19Å; Y357-Y366 PolarHBondContact O-N 2.67Å; K364-Y366 HydrophobicContact CB-CE2 3.75Å; K364-Y366 VanDerWaalsContact O-CE2 3.32Å; K364-Y366 WeakPolarHBondContact O-CE2 3.46Å; Y366-H368 VanDerWaalsContact C-N 3.33Å; Y366-L372 HydrophobicContact CD2-CB 4.03Å; Y366-L372 HydrophobicContact CD2-CD1 4Å; Y366-L372 HydrophobicContact CE2-CD1 4.28Å; Y366-L372 HydrophobicContact CG-CB 4.24Å; Y366-H375 HydrophobicContact CE1-CB 4.25Å; Y366-H375 HydrophobicContact CE2-CB 4.07Å; Y366-H375 AromaticContact CE2-CD2 3.3Å; Y366-H375 WeakPolarHBondContact CE2-CD2 3.27Å; Y366-H375 AromaticContact CE2-CG 3.88Å; Y366-H375 AromaticContact CZ-CD2 3.54Å; Y366-H375 AromaticContact CZ-CG 3.64Å; Y366-H375 WeakPolarHBondContact OH-CB 3.43Å; Y366-H375 PolarHBondContact OH-CD2 3.05Å |
| 367 | T | 80.4 | Confident | 84.2 | Confident | 41 Ų | 41 | 83.5 Ų | 83.5 | 25% | 0.252 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -78 | -14.6 | 174.6 | 53.9 | 0 | 0 | 0 | 0 | 113.6 | K355 | K355-T367 HydrophobicContact CG-CG2 3.79Š|
| 368 | H | 79.6 | Confident | 84.5 | Confident | 39 Ų | 39 | 83.6 Ų | 83.6 | 18% | 0.181 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -138.1 | 139.8 | -176.8 | -78.1 | -77.3 | 0 | 0 | 0 | 112.9 | K346 H349 Y357 Y366 S370 S371 L372 | K346-H368 PolarHBondContact O-NE2 3.5Å; H349-H368 AromaticContact CD2-CE1 3.58Å; H349-H368 AromaticContact CD2-NE2 3.82Å; Y357-H368 VanDerWaalsContact CD2-C 3.5Å; Y366-H368 VanDerWaalsContact C-N 3.33Å; H368-S370 PolarHBondContact O-N 2.71Å; H368-S371 WeakPolarHBondContact O-CB 3.42Å; H368-S371 PolarHBondContact O-N 2.71Å; H368-S371 VanDerWaalsContact O-N 3.1Å; H368-L372 PolarHBondContact O-N 3.27Å |
| 369 | P | 80.6 | Confident | 84.4 | Confident | 55 Ų | 55 | 79.9 Ų | 79.9 | 36% | 0.357 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.7 | -28.9 | 179.3 | -16.3 | 27.6 | 0 | 0 | 0 | 113.3 | Y357 R373 | Y357-P369 HydrophobicContact CD1-CB 4.48Å; Y357-P369 HydrophobicContact CD1-CG 4.15Å; Y357-P369 HydrophobicContact CD2-CG 4.16Å; Y357-P369 HydrophobicContact CE1-CG 3.77Å; Y357-P369 VanDerWaalsContact CE2-CD 3.45Å; Y357-P369 HydrophobicContact CE2-CG 3.76Å; Y357-P369 HydrophobicContact CG-CG 4.33Å; P369-R373 WeakPolarHBondContact O-CB 3.33Å; P369-R373 PolarHBondContact O-N 3.34Å |
| 370 | S | 84.9 | Confident | 84 | Confident | 68 Ų | 68 | 84.4 Ų | 84.4 | 48% | 0.476 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -68.7 | -33.8 | 175.7 | 47.5 | 0 | 0 | 0 | 0 | 112.3 | H368 K374 | H368-S370 PolarHBondContact O-N 2.71Å; S370-K374 WeakPolarHBondContact O-CG 3.23Å; S370-K374 PolarHBondContact O-N 3.17Å |
| 371 | S | 85.7 | Confident | 83.4 | Confident | 46 Ų | 46 | 78.5 Ų | 78.5 | 32% | 0.322 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -70.6 | -44.8 | 174.9 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | H368 R373 K374 H375 | H368-S371 WeakPolarHBondContact O-CB 3.42Å; H368-S371 PolarHBondContact O-N 2.71Å; H368-S371 VanDerWaalsContact O-N 3.1Å; S371-R373 PolarHBondContact O-N 2.71Å; S371-K374 PolarHBondContact O-N 3.39Å; S371-H375 PolarHBondContact O-N 3.34Å |
| 372 | L | 87.8 | Confident | 82.4 | Confident | 31 Ų | 31 | 78.4 Ų | 78.4 | 16% | 0.162 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -57.4 | -47.8 | 171.4 | 173.6 | 58.4 | 0 | 0 | 0 | 111.1 | L358 C359 Y366 H368 K374 H375 M376 | L358-L372 WeakPolarHBondContact O-CD2 3.46Å; C359-L372 HydrophobicContact CB-CD1 3.79Å; Y366-L372 HydrophobicContact CD2-CB 4.03Å; Y366-L372 HydrophobicContact CD2-CD1 4Å; Y366-L372 HydrophobicContact CE2-CD1 4.28Å; Y366-L372 HydrophobicContact CG-CB 4.24Å; H368-L372 PolarHBondContact O-N 3.27Å; L372-K374 VanDerWaalsContact C-N 3.33Å; L372-K374 PolarHBondContact O-N 3.39Å; L372-H375 CarbonylContact O-C 3.27Å; L372-H375 WeakPolarHBondContact O-CA 3.48Å; L372-H375 WeakPolarHBondContact O-CB 3.42Å; L372-H375 PolarHBondContact O-N 3.29Å; L372-M376 HydrophobicContact CD1-CG 4.18Å; L372-M376 HydrophobicContact CD1-SD 4.15Å; L372-M376 HydrophobicContact CG-CG 4.45Å; L372-M376 WeakPolarHBondContact O-CG 3.39Å; L372-M376 PolarHBondContact O-N 3.2Å |
| 373 | R | 87.3 | Confident | 81 | Confident | 173 Ų | 173 | 81.7 Ų | 81.7 | 65% | 0.653 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -61.8 | -37 | 178.1 | -169.9 | -179.6 | -61.2 | 134.6 | 5.3 | 113.2 | P369 S371 H375 | P369-R373 WeakPolarHBondContact O-CB 3.33Å; P369-R373 PolarHBondContact O-N 3.34Å; S371-R373 PolarHBondContact O-N 2.71Å; R373-H375 VanDerWaalsContact C-N 3.31Å |
| 374 | K | 86.9 | Confident | 79.6 | Confident | 165 Ų | 165 | 83 Ų | 83 | 72% | 0.717 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -64.5 | -36.9 | 172.3 | -78.8 | -175 | 174.9 | -165.2 | 0 | 112 | S370 S371 L372 | S370-K374 WeakPolarHBondContact O-CG 3.23Å; S370-K374 PolarHBondContact O-N 3.17Å; S371-K374 PolarHBondContact O-N 3.39Å; L372-K374 VanDerWaalsContact C-N 3.33Å; L372-K374 PolarHBondContact O-N 3.39Å |
| 375 | H | 88 | Confident | 77.4 | Confident | 17 Ų | 17 | 80 Ų | 80 | 8% | 0.079 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -72.6 | -37.8 | 177 | 166.2 | 47.2 | 0 | 0 | 0 | 113.1 | C359 C362 Y366 S371 L372 R373 K377 V378 H379 | C359-H375 PolarHBondContact SG-NE2 3.15Å; C362-H375 PolarHBondContact SG-NE2 3.06Å; C362-H375 VanDerWaalsContact SG-NE2 3.39Å; Y366-H375 HydrophobicContact CE1-CB 4.25Å; Y366-H375 HydrophobicContact CE2-CB 4.07Å; Y366-H375 AromaticContact CE2-CD2 3.3Å; Y366-H375 WeakPolarHBondContact CE2-CD2 3.27Å; Y366-H375 AromaticContact CE2-CG 3.88Å; Y366-H375 AromaticContact CZ-CD2 3.54Å; Y366-H375 AromaticContact CZ-CG 3.64Å; Y366-H375 WeakPolarHBondContact OH-CB 3.43Å; Y366-H375 PolarHBondContact OH-CD2 3.05Å; S371-H375 PolarHBondContact O-N 3.34Å; L372-H375 CarbonylContact O-C 3.27Å; L372-H375 WeakPolarHBondContact O-CA 3.48Å; L372-H375 WeakPolarHBondContact O-CB 3.42Å; L372-H375 PolarHBondContact O-N 3.29Å; R373-H375 VanDerWaalsContact C-N 3.31Å; H375-K377 PolarHBondContact O-N 3.2Å; H375-V378 VanDerWaalsContact O-CB 3.28Å; H375-V378 WeakPolarHBondContact O-CB 3.29Å; H375-V378 PolarHBondContact O-N 3.2Å; H375-H379 AromaticContact CE1-CD2 3.39Å; H375-H379 PolarHBondContact CE1-CD2 3.38Å; H375-H379 AromaticContact CE1-NE2 3.17Å; H375-H379 PolarHBondContact CE1-NE2 2.87Å; H375-H379 AromaticContact NE2-CD2 3.64Å; H375-H379 AromaticContact NE2-NE2 3.34Å; H375-H379 PolarHBondContact NE2-NE2 3.14Å |
| 376 | M | 85.6 | Confident | 75.5 | Confident | 48 Ų | 48 | 84.1 Ų | 84.1 | 24% | 0.236 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -54.9 | -36.5 | 175.1 | -70 | -54.9 | -54.4 | 0 | 0 | 111.9 | L372 V378 H379 E380 | L372-M376 HydrophobicContact CD1-CG 4.18Å; L372-M376 HydrophobicContact CD1-SD 4.15Å; L372-M376 HydrophobicContact CG-CG 4.45Å; L372-M376 WeakPolarHBondContact O-CG 3.39Å; L372-M376 PolarHBondContact O-N 3.2Å; M376-V378 PolarHBondContact O-N 2.9Å; M376-H379 CarbonylContact O-C 3.57Å; M376-H379 WeakPolarHBondContact O-CA 3.41Å; M376-H379 WeakPolarHBondContact O-CB 3.36Å; M376-H379 PolarHBondContact O-N 3.32Å; M376-E380 WeakPolarHBondContact O-CG 3.37Å; M376-E380 PolarHBondContact O-N 3.4Å |
| 377 | K | 87.1 | Confident | 73.5 | Confident | 139 Ų | 139 | 89.9 Ų | 89.9 | 60% | 0.604 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -57.5 | -29.3 | 172.9 | -66 | -159 | 165.9 | -150.8 | 0 | 114.8 | H375 E380 A381 | H375-K377 PolarHBondContact O-N 3.2Å; K377-E380 WeakPolarHBondContact CA-OE2 3.25Å; K377-A381 VanDerWaalsContact O-CB 3.3Å; K377-A381 WeakPolarHBondContact O-CB 3.29Å; K377-A381 PolarHBondContact O-N 2.92Å |
| 378 | V | 86.3 | Confident | 71.6 | Confident | 91 Ų | 91 | 93.5 Ų | 93.5 | 55% | 0.552 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.8 | -40 | 175.8 | -174.2 | 0 | 0 | 0 | 0 | 109.8 | H375 M376 T382 | H375-V378 VanDerWaalsContact O-CB 3.28Å; H375-V378 WeakPolarHBondContact O-CB 3.29Å; H375-V378 PolarHBondContact O-N 3.2Å; M376-V378 PolarHBondContact O-N 2.9Å; V378-T382 PolarHBondContact O-N 2.88Å; V378-T382 PolarHBondContact O-OG1 3.14Å |
| 379 | H | 84.3 | Confident | 69.4 | Low | 35 Ų | 35 | 96.9 Ų | 96.9 | 16% | 0.162 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -67.6 | -46.8 | 172 | -73.7 | -77.1 | 0 | 0 | 0 | 111.5 | M361 C362 H375 M376 A381 T382 T383 | M361-H379 HydrophobicContact CE-CB 3.52Å; M361-H379 PolarHBondContact O-CE1 3.38Å; M361-H379 VanDerWaalsContact O-CE1 3.29Å; C362-H379 PolarHBondContact SG-NE2 2.87Å; H375-H379 AromaticContact CE1-CD2 3.39Å; H375-H379 PolarHBondContact CE1-CD2 3.38Å; H375-H379 AromaticContact CE1-NE2 3.17Å; H375-H379 PolarHBondContact CE1-NE2 2.87Å; H375-H379 AromaticContact NE2-CD2 3.64Å; H375-H379 AromaticContact NE2-NE2 3.34Å; H375-H379 PolarHBondContact NE2-NE2 3.14Å; M376-H379 CarbonylContact O-C 3.57Å; M376-H379 WeakPolarHBondContact O-CA 3.41Å; M376-H379 WeakPolarHBondContact O-CB 3.36Å; M376-H379 PolarHBondContact O-N 3.32Å; H379-A381 VanDerWaalsContact C-N 3.26Å; H379-A381 PolarHBondContact O-N 3.18Å; H379-T382 CarbonylContact O-C 3.6Å; H379-T382 WeakPolarHBondContact O-CA 3.3Å; H379-T382 WeakPolarHBondContact O-CB 3.23Å; H379-T382 PolarHBondContact O-N 3.08Å; H379-T383 PolarHBondContact O-N 2.81Å; H379-T383 PolarHBondContact O-OG1 3.18Å |
| 380 | E | 78.1 | Confident | 67.7 | Low | 107 Ų | 107 | 100.3 Ų | 100.3 | 50% | 0.5 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -54.5 | -40.5 | 177 | -66.9 | 156.4 | -157 | 0 | 0 | 112.2 | M376 K377 T382 | M376-E380 WeakPolarHBondContact O-CG 3.37Å; M376-E380 PolarHBondContact O-N 3.4Å; K377-E380 WeakPolarHBondContact CA-OE2 3.25Å; E380-T382 VanDerWaalsContact C-N 3.3Å; E380-T382 PolarHBondContact O-N 3.43Å |
| 381 | A | 72.3 | Confident | 65.5 | Low | 80 Ų | 80 | 102.1 Ų | 102.1 | 66% | 0.661 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -73.2 | -16.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | K377 H379 | K377-A381 VanDerWaalsContact O-CB 3.3Å; K377-A381 WeakPolarHBondContact O-CB 3.29Å; K377-A381 PolarHBondContact O-N 2.92Å; H379-A381 VanDerWaalsContact C-N 3.26Å; H379-A381 PolarHBondContact O-N 3.18Å |
| 382 | T | 60.8 | Low | 62.8 | Low | 103 Ų | 103 | 105 Ų | 105 | 63% | 0.632 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -89.9 | -28.2 | 175.2 | -50.9 | 0 | 0 | 0 | 0 | 111.7 | V378 H379 E380 Q384 | V378-T382 PolarHBondContact O-N 2.88Å; V378-T382 PolarHBondContact O-OG1 3.14Å; H379-T382 CarbonylContact O-C 3.6Å; H379-T382 WeakPolarHBondContact O-CA 3.3Å; H379-T382 WeakPolarHBondContact O-CB 3.23Å; H379-T382 PolarHBondContact O-N 3.08Å; E380-T382 VanDerWaalsContact C-N 3.3Å; E380-T382 PolarHBondContact O-N 3.43Å; T382-Q384 PolarHBondContact O-N 3.34Å |
| 383 | T | 58.4 | Low | 60.2 | Low | 105 Ų | 105 | 109.1 Ų | 109.1 | 64% | 0.644 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -76.6 | -4 | -179.7 | -27 | 0 | 0 | 0 | 0 | 114.1 | H379 | H379-T383 PolarHBondContact O-N 2.81Å; H379-T383 PolarHBondContact O-OG1 3.18Å |
| 384 | Q | 51.2 | Low | 57.6 | Low | 183 Ų | 183 | 106.8 Ų | 106.8 | 86% | 0.855 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -106.3 | 69.2 | 178.7 | -67.3 | -153.3 | -9.4 | 0 | 0 | 113 | T382 | T382-Q384 PolarHBondContact O-N 3.34Š|
| 385 | G | 37 | Very low | 54.9 | Low | 57 Ų | 57 | 101.5 Ų | 101.5 | 59% | 0.588 | 64% | 0.644 | S | S | * | * | trans | 158.1 | 145 | 162.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 386 | P | 43.3 | Very low | 52.3 | Low | 131 Ų | 131 | 111.6 Ų | 111.6 | 85% | 0.851 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | cis | -90.4 | 166.1 | -2 | -1.6 | 22.5 | 0 | 0 | 0 | 113.6 | ||
| 387 | Q | 38.6 | Very low | 49.7 | Very low | 173 Ų | 173 | 118.3 Ų | 118.3 | 81% | 0.808 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 147.2 | 162.4 | -77.9 | -84.2 | -84.5 | 0 | 0 | 110.8 | S389 | Q387-S389 PolarHBondContact O-N 3.25Š|
| 388 | P | 40.3 | Very low | 47.2 | Very low | 117 Ų | 117 | 116.9 Ų | 116.9 | 76% | 0.76 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 116.1 | 168.7 | 30.5 | -32 | 0 | 0 | 0 | 110.2 | ||
| 389 | S | 33.7 | Very low | 44.6 | Very low | 110 Ų | 110 | 118 Ų | 118 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 143.1 | 168 | -63.9 | 0 | 0 | 0 | 0 | 110.2 | Q387 | Q387-S389 PolarHBondContact O-N 3.25Š|
| 390 | P | 45 | Very low | 42.2 | Very low | 127 Ų | 127 | 122.8 Ų | 122.8 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 154.6 | -177.6 | 30.3 | -35.6 | 0 | 0 | 0 | 112.3 | ||
| 391 | A | 38.3 | Very low | 41.4 | Very low | 107 Ų | 107 | 123 Ų | 123 | 88% | 0.884 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 147.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 392 | A | 29.8 | Very low | 40.1 | Very low | 106 Ų | 106 | 125.2 Ų | 125.2 | 88% | 0.876 | 78% | 0.784 | S | S | * | * | trans | -128.3 | 155.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 393 | S | 32.6 | Very low | 38.7 | Very low | 118 Ų | 118 | 126.6 Ų | 126.6 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -112 | 179.3 | -158.8 | -167.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 394 | S | 33.1 | Very low | 37.4 | Very low | 123 Ų | 123 | 129 Ų | 129 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | 77.9 | 136.8 | 177.1 | 74.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 395 | G | 30 | Very low | 36.5 | Very low | 54 Ų | 54 | 126 Ų | 126 | 56% | 0.557 | 79% | 0.793 | S | S | * | * | cis | 175.2 | 175.2 | -7.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 396 | Y | 31.9 | Very low | 36.3 | Very low | 229 Ų | 229 | 128.6 Ų | 128.6 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | trans | 57.5 | 155.2 | 171.1 | 94.5 | -91.6 | 0 | 0 | 0 | 117.3 | ||||
| 397 | E | 32.7 | Very low | 36.4 | Very low | 189 Ų | 189 | 127.6 Ų | 127.6 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | cis | -148.8 | -173.2 | -31.6 | -130.7 | -178.6 | 141.6 | 0 | 0 | 109.6 | ||||
| 398 | S | 32.7 | Very low | 35.9 | Very low | 109 Ų | 109 | 124.7 Ų | 124.7 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -104.8 | 147.2 | -170.4 | -176.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 399 | S | 32.9 | Very low | 35.4 | Very low | 116 Ų | 116 | 124.9 Ų | 124.9 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | 172.3 | 170.7 | 140.4 | -79.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 400 | T | 34.3 | Very low | 35.2 | Very low | 134 Ų | 134 | 127.4 Ų | 127.4 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | -123.9 | -153.8 | -163.6 | 61.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 401 | P | 60.9 | Low | 34.4 | Very low | 112 Ų | 112 | 126.9 Ų | 126.9 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -113.5 | -168.4 | -132.2 | 36.8 | -14.8 | 0 | 0 | 0 | 114.8 | ||||
| 402 | P | 44.6 | Very low | 34 | Very low | 127 Ų | 127 | 129.2 Ų | 129.2 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | -153.4 | -172.9 | 101.5 | 40.7 | -21.4 | 0 | 0 | 0 | 117.8 | |||||
| 403 | T | 31 | Very low | 34 | Very low | 131 Ų | 131 | 130.4 Ų | 130.4 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -86.5 | 175 | -170.5 | -36.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 404 | I | 32.4 | Very low | 33.7 | Very low | 156 Ų | 156 | 129.2 Ų | 129.2 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | trans | 141.6 | 137.2 | 147.5 | -78.1 | 163.7 | 0 | 0 | 0 | 111.1 | ||||
| 405 | V | 30.9 | Very low | 33.5 | Very low | 120 Ų | 120 | 128.2 Ų | 128.2 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | cis | -159.6 | 167.2 | -5.6 | 119.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 406 | S | 32.8 | Very low | 33.5 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | -134.6 | 153.5 | 167.6 | -51 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 407 | P | 44.9 | Very low | 33.4 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | trans | -119.4 | 140 | 145.7 | 4.3 | 18.2 | 0 | 0 | 0 | 111.3 | ||||
| 408 | S | 28.3 | Very low | 33.4 | Very low | 113 Ų | 113 | 124 Ų | 124 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | 72.2 | 137 | 84.2 | -48.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 409 | T | 31.5 | Very low | 34.2 | Very low | 121 Ų | 121 | 124.8 Ų | 124.8 | 74% | 0.742 | 76% | 0.757 | S | S | * | * | cis | -149.2 | 145.6 | 20.8 | 48.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 410 | E | 28.7 | Very low | 33.9 | Very low | 162 Ų | 162 | 124.3 Ų | 124.3 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | trans | 58.2 | 139.4 | 132.3 | -65.8 | -164.9 | 178.1 | 0 | 0 | 127.2 | ||||
| 411 | N | 28.1 | Very low | 33.6 | Very low | 117 Ų | 117 | 122.5 Ų | 122.5 | 63% | 0.626 | 76% | 0.758 | S | S | * | * | trans | 93.1 | 103.2 | 133.7 | -70.5 | -16.7 | 0 | 0 | 0 | 125.2 | ||||
| 412 | H | 30.5 | Very low | 32 | Very low | 155 Ų | 155 | 122.5 Ų | 122.5 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | 77 | 121.5 | 120.2 | -84.4 | -59 | 0 | 0 | 0 | 124.8 | |||||
| 413 | N | 28.5 | Very low | 31.3 | Very low | 131 Ų | 131 | 122.1 Ų | 122.1 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | 81.9 | 118.6 | 129 | -79.7 | 17.1 | 0 | 0 | 0 | 123.9 | |||||
| 414 | S | 28 | Very low | 31.3 | Very low | 94 Ų | 94 | 121.3 Ų | 121.3 | 66% | 0.657 | 75% | 0.751 | S | S | * | * | 87.4 | 104.7 | 120.5 | -63 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 415 | S | 28.6 | Very low | 31.2 | Very low | 101 Ų | 101 | 122.1 Ų | 122.1 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | 76.6 | 110.2 | 117.4 | -54 | 0 | 0 | 0 | 0 | 121 | |||||
| 416 | S | 29.7 | Very low | 31.1 | Very low | 105 Ų | 105 | 125.4 Ų | 125.4 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | 57.1 | 128.7 | 133.2 | 63.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 417 | I | 30.2 | Very low | 30.9 | Very low | 167 Ų | 167 | 126.4 Ų | 126.4 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | -165.8 | 139.8 | 120.7 | -98.4 | 149.9 | 0 | 0 | 0 | 110.5 | |||||
| 418 | S | 31.6 | Very low | 30.2 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | trans | -132 | 169.2 | 162.2 | -63 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 419 | P | 50.3 | Low | 30.2 | Very low | 126 Ų | 126 | 127 Ų | 127 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | cis | -134.3 | -179.3 | 4.1 | 43.1 | -27.3 | 0 | 0 | 0 | 114.6 | ||||
| 420 | A | 26.2 | Very low | 30.3 | Very low | 106 Ų | 106 | 129.1 Ų | 129.1 | 88% | 0.876 | 76% | 0.763 | S | S | * | * | trans | -160.3 | 159 | 145.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 421 | A | 28.4 | Very low | 30.4 | Very low | 95 Ų | 95 | 130.2 Ų | 130.2 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -134 | 149.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 422 | S | 27.7 | Very low | 30.5 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | -171.4 | 119.2 | 144.9 | -86.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 423 | T | 29.4 | Very low | 30.5 | Very low | 120 Ų | 120 | 130 Ų | 130 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | 65.1 | 97 | 124.2 | -45.5 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 424 | V | 31.1 | Very low | 30.5 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | trans | 49.4 | 115.6 | 130.3 | -169.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 425 | H | 28.9 | Very low | 30.7 | Very low | 173 Ų | 173 | 132.8 Ų | 132.8 | 80% | 0.801 | 80% | 0.797 | S | S | * | * | -177.9 | 131.2 | 110.6 | -99.4 | -70.9 | 0 | 0 | 0 | 111.6 | |||||
| 426 | H | 29.8 | Very low | 30.8 | Very low | 189 Ų | 189 | 133.3 Ų | 133.3 | 88% | 0.875 | 80% | 0.801 | S | S | * | * | trans | -102.9 | 125.7 | 167.7 | -86.9 | -70.7 | 0 | 0 | 0 | 110.6 | ||||
| 427 | T | 28.6 | Very low | 30.8 | Very low | 133 Ų | 133 | 135.5 Ų | 135.5 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | trans | -117.3 | 98.5 | 171.1 | 42.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 428 | T | 30 | Very low | 30.7 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | trans | -84.7 | 115.9 | 177.6 | -47.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 429 | S | 29.1 | Very low | 30.7 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -70.5 | 137.7 | -178.8 | 52 | 0 | 0 | 0 | 0 | 113 | ||||
| 430 | H | 32.6 | Very low | 29.8 | Very low | 167 Ų | 167 | 139.7 Ų | 139.7 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -74.5 | 137.2 | 174.1 | -76.9 | -125.8 | 0 | 0 | 0 | 112 | ||||
| 431 | H | 30.6 | Very low | 29.9 | Very low | 185 Ų | 185 | 144.5 Ų | 144.5 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | trans | -142.3 | 93.8 | 153.3 | -103.6 | -84.8 | 0 | 0 | 0 | 109.7 | ||||
| 432 | T | 31 | Very low | 30 | Very low | 128 Ų | 128 | 151.3 Ų | 151.3 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 116.6 | 173.9 | 45.5 | 0 | 0 | 0 | 0 | 110 | ||
| 433 | T | 30.1 | Very low | 30.6 | Very low | 138 Ų | 138 | 155.3 Ų | 155.3 | 85% | 0.847 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 154.1 | 179.6 | 42.6 | 0 | 0 | 0 | 0 | 113.1 | ||
| 434 | L | 28.4 | Very low | 30.7 | Very low | 165 Ų | 165 | 157.1 Ų | 157.1 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 153.6 | -174.7 | -69 | 112.7 | 0 | 0 | 0 | 113.8 | ||
| 435 | S | 32 | Very low | 30.6 | Very low | 119 Ų | 119 | 159.4 Ų | 159.4 | 83% | 0.832 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 132 | 163.2 | 55.8 | 0 | 0 | 0 | 0 | 111.9 | ||
| 436 | S | 30.2 | Very low | 30.7 | Very low | 112 Ų | 112 | 158.6 Ų | 158.6 | 78% | 0.783 | 84% | 0.835 | S | S | * | * | trans | -143.8 | 154.9 | 163.6 | 64.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 437 | N | 30.7 | Very low | 30.8 | Very low | 151 Ų | 151 | 156.8 Ų | 156.8 | 81% | 0.807 | 83% | 0.832 | S | S | * | * | trans | -71.9 | 146.6 | -168.9 | -58.3 | -62.9 | 0 | 0 | 0 | 113.3 | ||||
| 438 | F | 27.3 | Very low | 30.9 | Very low | 184 Ų | 184 | 158.3 Ų | 158.3 | 81% | 0.807 | 83% | 0.833 | S | S | * | * | trans | -146.7 | 95.6 | 148 | -104.9 | -76.6 | 0 | 0 | 0 | 109.9 | ||||
| 439 | N | 32.7 | Very low | 31 | Very low | 151 Ų | 151 | 160.4 Ų | 160.4 | 81% | 0.807 | 84% | 0.837 | S | S | * | * | trans | -137.8 | 27.4 | 173.4 | -152.9 | 14.6 | 0 | 0 | 0 | 112.7 | ||||
| 440 | E | 30.7 | Very low | 31.1 | Very low | 158 Ų | 158 | 164.2 Ų | 164.2 | 74% | 0.738 | 84% | 0.843 | S | S | * | * | trans | -114.5 | 157.1 | 156.2 | -62.4 | 168.1 | 156 | 0 | 0 | 103.8 | ||||
| 441 | W | 28.5 | Very low | 31 | Very low | 208 Ų | 208 | 164 Ų | 164 | 79% | 0.788 | 85% | 0.849 | S | S | * | * | cis | -133.1 | 140.4 | 24.5 | -68.3 | 32.6 | 0 | 0 | 0 | 110.3 | ||||
| 442 | Y | 30.1 | Very low | 31 | Very low | 238 Ų | 238 | 162.3 Ų | 162.3 | 93% | 0.933 | 85% | 0.848 | S | S | * | * | trans | -164.6 | 95.1 | 150.3 | -101.1 | -68 | 0 | 0 | 0 | 107.7 | ||||
| 443 | V | 40.9 | Very low | 31.1 | Very low | 195 Ų | 195 | 165.4 Ų | 165.4 | 100% | 1.182 | 85% | 0.854 | S | S | * | * | trans | -72 | 0 | 160.8 | 178.3 | 0 | 0 | 0 | 0 | 107.4 |
Retrieved 443 of 443 residues in 1162.7 ms
(Link to these results)