| 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 | 55.6 | Low | 53.3 | Low | 246 Ų | 246 | 149.1 Ų | 149.1 | 100% | 1.212 | 85% | 0.847 | S | S | * | * | 0 | 117.4 | 0 | -69.7 | -69.7 | -177.1 | 0 | 0 | 106.8 | |||||
| 2 | S | 47.9 | Very low | 53.4 | Low | 123 Ų | 123 | 154.2 Ų | 154.2 | 86% | 0.86 | 84% | 0.843 | S | S | * | * | trans | -68.2 | 149.1 | -162.9 | -172 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 3 | L | 45.9 | Very low | 53.7 | Low | 136 Ų | 136 | 153.8 Ų | 153.8 | 71% | 0.712 | 84% | 0.839 | S | S | * | * | trans | -54.2 | 146.6 | 166.4 | -100.2 | 74.9 | 0 | 0 | 0 | 112.3 | ||||
| 4 | V | 60.7 | Low | 53.6 | Low | 144 Ų | 144 | 155.7 Ų | 155.7 | 87% | 0.873 | 84% | 0.84 | S | S | * | * | trans | -131 | 108.8 | 153.3 | 177.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 5 | D | 56.6 | Low | 54.3 | Low | 126 Ų | 126 | 158.1 Ų | 158.1 | 67% | 0.674 | 84% | 0.843 | S | S | * | * | trans | -78.4 | 147.9 | 170.9 | -83.1 | -48.1 | 0 | 0 | 0 | 110.9 | ||||
| 6 | P | 59.5 | Low | 53.8 | Low | 125 Ų | 125 | 155.5 Ų | 155.5 | 81% | 0.812 | 84% | 0.835 | S | S | * | * | trans | -87.5 | 111 | 167.8 | 32.2 | -27.7 | 0 | 0 | 0 | 110.8 | ||||
| 7 | E | 54.2 | Low | 54.3 | Low | 200 Ų | 200 | 154.9 Ų | 154.9 | 94% | 0.935 | 83% | 0.832 | S | S | * | * | trans | -67.7 | 144.8 | 162.8 | -65 | -167.7 | 134.8 | 0 | 0 | 111.2 | ||||
| 8 | G | 48.4 | Very low | 54.3 | Low | 79 Ų | 79 | 156.6 Ų | 156.6 | 81% | 0.814 | 83% | 0.834 | S | S | * | * | trans | 147.5 | 46.2 | 160.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 9 | E | 46.6 | Very low | 54.5 | Low | 192 Ų | 192 | 158.8 Ų | 158.8 | 90% | 0.897 | 84% | 0.835 | S | S | * | * | trans | -81.4 | 126.2 | 156.6 | -76.6 | -164.5 | 138.7 | 0 | 0 | 109.1 | ||||
| 10 | D | 58 | Low | 54.1 | Low | 139 Ų | 139 | 154.6 Ų | 154.6 | 74% | 0.743 | 83% | 0.832 | S | S | * | * | trans | -139.5 | 85.7 | 165 | -148.5 | -0.2 | 0 | 0 | 0 | 107.1 | ||||
| 11 | V | 52.8 | Low | 53.4 | Low | 130 Ų | 130 | 155 Ų | 155 | 79% | 0.788 | 83% | 0.833 | S | S | * | * | trans | -103.9 | 108.1 | 170.8 | 176.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 12 | R | 54.2 | Low | 53.2 | Low | 210 Ų | 210 | 147.4 Ų | 147.4 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | trans | -101.4 | 111.8 | 169.7 | -78.8 | -165.8 | -169.7 | -177.4 | 1.7 | 111 | ||||
| 13 | D | 58 | Low | 52.8 | Low | 149 Ų | 149 | 146.4 Ų | 146.4 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | 48.3 | 132.9 | 128.3 | -56.3 | -29.9 | 0 | 0 | 0 | 122.5 | |||||
| 14 | E | 52.5 | Low | 52.8 | Low | 181 Ų | 181 | 146.8 Ų | 146.8 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -51.6 | 145.1 | 173.2 | -59.5 | 179.2 | 112.2 | 0 | 0 | 114.8 | ||||
| 15 | E | 63.2 | Low | 51.8 | Low | 192 Ų | 192 | 145.2 Ų | 145.2 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | trans | -135.7 | 108.4 | 148.9 | -160.6 | 177.7 | 141.2 | 0 | 0 | 109.9 | ||||
| 16 | T | 47.5 | Very low | 51.3 | Low | 116 Ų | 116 | 148 Ų | 148 | 71% | 0.712 | 82% | 0.815 | S | S | * | * | trans | -68.4 | 132.2 | 172 | 43.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 17 | N | 61.7 | Low | 50.5 | Low | 145 Ų | 145 | 146.5 Ų | 146.5 | 78% | 0.775 | 81% | 0.813 | S | S | * | * | trans | -123.4 | 90.9 | 163.6 | -173.3 | 2.2 | 0 | 0 | 0 | 110 | ||||
| 18 | E | 54.9 | Low | 50.2 | Low | 186 Ų | 186 | 144 Ų | 144 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | trans | -88.3 | 112 | 162 | -71.4 | -171.9 | 144.3 | 0 | 0 | 109.7 | ||||
| 19 | K | 57 | Low | 49.9 | Very low | 198 Ų | 198 | 145 Ų | 145 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | trans | -152 | 131 | 152.1 | -67.5 | -166.2 | -179.3 | -176.8 | 0 | 105.6 | ||||
| 20 | G | 46.5 | Very low | 49.4 | Very low | 74 Ų | 74 | 141.5 Ų | 141.5 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | cis | 158.2 | 118.4 | 15.6 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 21 | D | 39.9 | Very low | 48.8 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | trans | 6.1 | 131.4 | 159.4 | -130.3 | -18.9 | 0 | 0 | 0 | 120.9 | ||||
| 22 | A | 50.3 | Low | 48.2 | Very low | 87 Ų | 87 | 140 Ų | 140 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | trans | 175.7 | 103.5 | 134.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 23 | S | 40.6 | Very low | 47.9 | Very low | 102 Ų | 102 | 138.7 Ų | 138.7 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | trans | 49.1 | 114 | 134.9 | 65.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 24 | V | 46.6 | Very low | 47 | Very low | 145 Ų | 145 | 137.9 Ų | 137.9 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | -153.3 | 112 | 119.6 | -175.2 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 25 | S | 38.1 | Very low | 46.6 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -85.7 | 134.6 | 159.4 | -177.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 26 | E | 47.3 | Very low | 46 | Very low | 184 Ų | 184 | 135.6 Ų | 135.6 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -179.4 | 132.6 | 136.6 | -102.4 | 172.1 | -176.7 | 0 | 0 | 111.9 | ||||
| 27 | A | 42.8 | Very low | 45.9 | Very low | 94 Ų | 94 | 134.1 Ų | 134.1 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | trans | -65.4 | 149 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 28 | T | 47 | Very low | 45.4 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 91% | 0.914 | 81% | 0.808 | S | S | * | * | trans | -135 | 108.3 | 153.5 | -52 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 29 | S | 41.5 | Very low | 45.1 | Very low | 98 Ų | 98 | 137.3 Ų | 137.3 | 69% | 0.685 | 81% | 0.81 | S | S | * | * | trans | -88.8 | 162.5 | 178.3 | 177.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 30 | C | 37.4 | Very low | 44.2 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | 104.4 | 119.3 | 151.8 | -60.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 31 | A | 44.2 | Very low | 44.3 | Very low | 93 Ų | 93 | 133.1 Ų | 133.1 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | 110 | 90.4 | 127.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 32 | L | 41.7 | Very low | 44.7 | Very low | 145 Ų | 145 | 133.4 Ų | 133.4 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | 21.7 | 130.6 | 123.6 | -76.7 | 159.5 | 0 | 0 | 0 | 119.2 | |||||
| 33 | L | 47 | Very low | 44.5 | Very low | 182 Ų | 182 | 136.6 Ų | 136.6 | 95% | 0.953 | 80% | 0.803 | S | S | * | * | trans | -142.2 | 89.9 | 134.6 | -80 | 178.3 | 0 | 0 | 0 | 109.6 | ||||
| 34 | D | 39.4 | Very low | 44.6 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | trans | -95.5 | 143.6 | 153.9 | -92 | -37.2 | 0 | 0 | 0 | 108.4 | ||||
| 35 | N | 43.6 | Very low | 44.2 | Very low | 153 Ų | 153 | 134.7 Ų | 134.7 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | 97.8 | 96.9 | 174 | -60.2 | -66 | 0 | 0 | 0 | 118.3 | ||||
| 36 | I | 50.4 | Low | 44.4 | Very low | 171 Ų | 171 | 135.5 Ų | 135.5 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | -142 | 90 | 133.9 | -49.8 | 177.7 | 0 | 0 | 0 | 105.4 | ||||
| 37 | A | 46.4 | Very low | 44.3 | Very low | 86 Ų | 86 | 132.4 Ų | 132.4 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | 64 | 106.9 | 89 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 38 | E | 50.9 | Low | 44.4 | Very low | 190 Ų | 190 | 135 Ų | 135 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | 6.2 | 128.6 | 152.4 | -65 | -179 | 129.3 | 0 | 0 | 120 | ||||
| 39 | K | 49.1 | Very low | 44.7 | Very low | 207 Ų | 207 | 135 Ų | 135 | 90% | 0.9 | 80% | 0.798 | S | S | * | * | -177.1 | 120.5 | 113.3 | -99.5 | -177.9 | -177.4 | -170.8 | 0 | 111 | |||||
| 40 | G | 36.8 | Very low | 45.4 | Very low | 68 Ų | 68 | 136.4 Ų | 136.4 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | -66.5 | 173.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 41 | P | 48.8 | Very low | 45.8 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | -146.8 | 154.6 | 64.1 | 36.9 | -17.1 | 0 | 0 | 0 | 117.2 | |||||
| 42 | Q | 47.9 | Very low | 46 | Very low | 169 Ų | 169 | 142.6 Ų | 142.6 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | 31.1 | 141.2 | 130.4 | -58.6 | 178.4 | -23.1 | 0 | 0 | 122.7 | ||||
| 43 | N | 46.5 | Very low | 46.3 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | 79.4 | 137.6 | 154.7 | -59.6 | -24.1 | 0 | 0 | 0 | 115.8 | ||||
| 44 | A | 44.1 | Very low | 46 | Very low | 92 Ų | 92 | 141.7 Ų | 141.7 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | cis | -162 | 154 | 8.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 45 | S | 38.2 | Very low | 45.9 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | 37.8 | 134.8 | 153 | -66.7 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 46 | P | 42.5 | Very low | 45.8 | Very low | 127 Ų | 127 | 140.7 Ų | 140.7 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -92.1 | 137.5 | 167.8 | 36.4 | -28.2 | 0 | 0 | 0 | 111.5 | ||||
| 47 | S | 45.1 | Very low | 45.4 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -161.2 | 149.3 | 160.3 | 70.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 48 | H | 43.3 | Very low | 45.2 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 69% | 0.69 | 79% | 0.789 | S | S | * | * | trans | 103 | 88.4 | 154.6 | -146.3 | 79.5 | 0 | 0 | 0 | 117 | M50 | H48-M50 WeakPolarHBondContact CE1-CG 3.37Å; H48-M50 VanDerWaalsContact CE1-SD 3.5Å | ||
| 49 | V | 53.8 | Low | 44.7 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | trans | -129.5 | 112.3 | 144.9 | -169.2 | 0 | 0 | 0 | 0 | 106 | ||||
| 50 | M | 56.5 | Low | 44.3 | Very low | 129 Ų | 129 | 132.7 Ų | 132.7 | 64% | 0.635 | 78% | 0.777 | S | S | * | * | trans | -86.1 | 123.8 | 173.9 | -66.5 | -167.3 | 92.4 | 0 | 0 | 109.5 | H48 | H48-M50 WeakPolarHBondContact CE1-CG 3.37Å; H48-M50 VanDerWaalsContact CE1-SD 3.5Å | ||
| 51 | E | 45.3 | Very low | 44.5 | Very low | 190 Ų | 190 | 140.1 Ų | 140.1 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | trans | -83.2 | 132.4 | 153.5 | -72.1 | -176.7 | 137.8 | 0 | 0 | 108.6 | ||||
| 52 | Q | 48.7 | Very low | 44.2 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 71% | 0.71 | 79% | 0.785 | S | S | * | * | trans | -161.7 | 107.1 | 161 | -110.3 | -178.3 | 17.6 | 0 | 0 | 109.8 | ||||
| 53 | N | 48.4 | Very low | 44.2 | Very low | 142 Ų | 142 | 139.5 Ų | 139.5 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | 159.6 | 108.5 | 107.1 | -78.9 | -31.3 | 0 | 0 | 0 | 112.1 | |||||
| 54 | L | 39.6 | Very low | 43.9 | Very low | 166 Ų | 166 | 139.2 Ų | 139.2 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | -61.8 | 134.9 | 151.9 | -99.7 | 76.4 | 0 | 0 | 0 | 109.6 | ||||
| 55 | V | 38 | Very low | 44.2 | Very low | 142 Ų | 142 | 142.9 Ų | 142.9 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | -150.7 | 118 | 136.9 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 56 | T | 40.7 | Very low | 44.3 | Very low | 123 Ų | 123 | 145.4 Ų | 145.4 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -131.3 | 170.5 | 154.7 | 2.8 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 57 | P | 43.7 | Very low | 44.5 | Very low | 103 Ų | 103 | 144.5 Ų | 144.5 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | cis | -139.3 | -164.6 | -9.6 | 24.9 | 1.6 | 0 | 0 | 0 | 112.5 | ||||
| 58 | T | 41 | Very low | 44.4 | Very low | 125 Ų | 125 | 148 Ų | 148 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | trans | 112.9 | 109.1 | 145.8 | 61.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 59 | N | 40.3 | Very low | 44.2 | Very low | 146 Ų | 146 | 144.5 Ų | 144.5 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | 76.8 | 122.4 | 119.9 | -152.4 | -3.4 | 0 | 0 | 0 | 119.1 | |||||
| 60 | C | 41.4 | Very low | 43.7 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | 169.1 | 124.1 | 122.2 | -82.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 61 | R | 40.5 | Very low | 42.7 | Very low | 223 Ų | 223 | 141.9 Ų | 141.9 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | trans | 53.3 | 122 | 142.9 | -78.8 | -178.1 | 147.2 | 167.3 | -6.1 | 120.8 | ||||
| 62 | E | 43 | Very low | 42.7 | Very low | 167 Ų | 167 | 137.1 Ų | 137.1 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | 70 | 103.7 | 61.4 | -166.4 | 173.7 | -151.9 | 0 | 0 | 114.1 | |||||
| 63 | S | 48.3 | Very low | 42.1 | Very low | 106 Ų | 106 | 142.1 Ų | 142.1 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | 173.2 | 118.1 | 125.7 | 53 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 64 | D | 40.2 | Very low | 41.6 | Very low | 147 Ų | 147 | 138.9 Ų | 138.9 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | trans | 23 | 129.7 | 138.9 | -61.6 | -44.2 | 0 | 0 | 0 | 120.8 | ||||
| 65 | I | 49.3 | Very low | 41.4 | Very low | 170 Ų | 170 | 143 Ų | 143 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | -175.5 | 107.4 | 120.6 | -80 | 142.1 | 0 | 0 | 0 | 107.5 | |||||
| 66 | M | 40.5 | Very low | 41.5 | Very low | 168 Ų | 168 | 140.9 Ų | 140.9 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | trans | -87.3 | 167.4 | 152.4 | -70.9 | -74.9 | -75.5 | 0 | 0 | 107.6 | ||||
| 67 | P | 46.2 | Very low | 41.5 | Very low | 108 Ų | 108 | 142.6 Ų | 142.6 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | cis | -143.2 | 168.9 | 19.1 | 38.2 | -16.1 | 0 | 0 | 0 | 117.1 | ||||
| 68 | E | 42.7 | Very low | 41.2 | Very low | 192 Ų | 192 | 143.6 Ų | 143.6 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | trans | 37.9 | 117.3 | 134.2 | -156.2 | 173.4 | -175.5 | 0 | 0 | 120.3 | ||||
| 69 | G | 39 | Very low | 41.1 | Very low | 75 Ų | 75 | 143.4 Ų | 143.4 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -177.9 | 87.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 70 | A | 44.1 | Very low | 40.9 | Very low | 99 Ų | 99 | 138.9 Ų | 138.9 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | 51 | 109.9 | 140.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 71 | S | 36.2 | Very low | 40.9 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | 37.1 | 106.5 | 123.4 | -166.4 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 72 | A | 45.2 | Very low | 40.8 | Very low | 90 Ų | 90 | 135.9 Ų | 135.9 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | trans | -169.8 | 106.6 | 136.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G74 | A72-G74 PolarHBondContact O-N 3.3Š| ||
| 73 | R | 35.2 | Very low | 40.7 | Very low | 257 Ų | 257 | 135.8 Ų | 135.8 | 97% | 0.97 | 79% | 0.794 | S | S | * | * | 49.1 | 64.5 | 128.5 | -150.6 | 173.8 | -168.5 | 177 | 2.5 | 116.1 | |||||
| 74 | G | 37.8 | Very low | 40.4 | Very low | 73 Ų | 73 | 139.6 Ų | 139.6 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -117.4 | 101.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | A72 S76 | A72-G74 PolarHBondContact O-N 3.3Å; G74-S76 PolarHBondContact O-N 3.37Å | ||
| 75 | R | 35.5 | Very low | 40.4 | Very low | 252 Ų | 252 | 140.1 Ų | 140.1 | 95% | 0.951 | 80% | 0.801 | S | S | * | * | trans | -40.9 | 123.9 | 171.5 | -67.7 | 160.7 | 153.8 | 167.1 | -7.5 | 113 | ||||
| 76 | S | 41.4 | Very low | 39.7 | Very low | 99 Ų | 99 | 134.8 Ų | 134.8 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | trans | -136.9 | 121.3 | 150.4 | 68 | 0 | 0 | 0 | 0 | 109.5 | G74 V78 | G74-S76 PolarHBondContact O-N 3.37Å; S76-V78 PolarHBondContact O-N 3.06Å | ||
| 77 | N | 40.6 | Very low | 40.3 | Very low | 159 Ų | 159 | 136.1 Ų | 136.1 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | trans | -69.4 | 84 | 174.1 | -70.5 | -30 | 0 | 0 | 0 | 108.2 | V79 | N77-V79 VanDerWaalsContact C-N 3.29Å; N77-V79 PolarHBondContact O-N 3.14Å | ||
| 78 | V | 36.5 | Very low | 39.8 | Very low | 123 Ų | 123 | 143.5 Ų | 143.5 | 75% | 0.745 | 80% | 0.803 | S | S | * | * | trans | -70.4 | 97.2 | 158.2 | 177 | 0 | 0 | 0 | 0 | 105.5 | S76 G80 | S76-V78 PolarHBondContact O-N 3.06Å; V78-G80 PolarHBondContact O-N 3.38Å | ||
| 79 | V | 38.9 | Very low | 40 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | trans | -67.3 | 77.8 | 161.8 | -179.9 | 0 | 0 | 0 | 0 | 106 | N77 L81 | N77-V79 VanDerWaalsContact C-N 3.29Å; N77-V79 PolarHBondContact O-N 3.14Å; V79-L81 HydrophobicContact CG1-CG 4.49Å; V79-L81 PolarHBondContact O-N 2.94Å; V79-L81 VanDerWaalsContact O-N 3.07Å | ||
| 80 | G | 36.6 | Very low | 40.7 | Very low | 51 Ų | 51 | 148.1 Ų | 148.1 | 53% | 0.526 | 80% | 0.804 | S | S | . | * | trans | -67.4 | 100.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107 | V78 S82 | V78-G80 PolarHBondContact O-N 3.38Å; G80-S82 PolarHBondContact O-N 3.1Å | ||
| 81 | L | 40.3 | Very low | 40.9 | Very low | 165 Ų | 165 | 153.8 Ų | 153.8 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | trans | -68.5 | 67.9 | 163.4 | -70.1 | 168.8 | 0 | 0 | 0 | 108.3 | V79 M83 | V79-L81 HydrophobicContact CG1-CG 4.49Å; V79-L81 PolarHBondContact O-N 2.94Å; V79-L81 VanDerWaalsContact O-N 3.07Å; L81-M83 PolarHBondContact O-N 3.38Å | ||
| 82 | S | 39.2 | Very low | 41.5 | Very low | 107 Ų | 107 | 156 Ų | 156 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | -80.6 | 90.6 | 167.6 | 59.2 | 0 | 0 | 0 | 0 | 107.9 | G80 E84 | G80-S82 PolarHBondContact O-N 3.1Å; S82-E84 VanDerWaalsContact C-N 3.35Å; S82-E84 PolarHBondContact O-N 3.1Å; S82-E84 VanDerWaalsContact O-N 3.1Å | ||
| 83 | M | 41.7 | Very low | 41.5 | Very low | 165 Ų | 165 | 160.7 Ų | 160.7 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | -74.6 | 93.3 | 163.9 | -105.3 | 172.4 | 55 | 0 | 0 | 108.2 | L81 I85 | L81-M83 PolarHBondContact O-N 3.38Å; M83-I85 PolarHBondContact O-N 2.87Å | ||
| 84 | E | 41.8 | Very low | 41.7 | Very low | 187 Ų | 187 | 160 Ų | 160 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -69.3 | 91.3 | 170.7 | -162.9 | 179.5 | -169.3 | 0 | 0 | 109 | S82 G86 | S82-E84 VanDerWaalsContact C-N 3.35Å; S82-E84 PolarHBondContact O-N 3.1Å; S82-E84 VanDerWaalsContact O-N 3.1Å; E84-G86 PolarHBondContact O-N 3.04Å; E84-G86 VanDerWaalsContact O-N 3.14Å | ||
| 85 | I | 39 | Very low | 42 | Very low | 157 Ų | 157 | 165.7 Ų | 165.7 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | trans | -78 | 93.1 | 175.4 | -60.7 | 162.9 | 0 | 0 | 0 | 107.3 | M83 | M83-I85 PolarHBondContact O-N 2.87Š| ||
| 86 | G | 35.4 | Very low | 42.1 | Very low | 59 Ų | 59 | 158.3 Ų | 158.3 | 61% | 0.608 | 80% | 0.799 | S | S | * | * | trans | -166.4 | 35.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | E84 | E84-G86 PolarHBondContact O-N 3.04Å; E84-G86 VanDerWaalsContact O-N 3.14Å | ||
| 87 | K | 52.3 | Low | 42.2 | Very low | 196 Ų | 196 | 159 Ų | 159 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | trans | -141.2 | 122.4 | 162.2 | -66.3 | -171.4 | -178.9 | 171.9 | 0 | 111.9 | V89 | K87-V89 PolarHBondContact O-N 3.25Å; K87-V89 VanDerWaalsContact O-N 3.17Å | ||
| 88 | R | 35.5 | Very low | 42.4 | Very low | 262 Ų | 262 | 159.7 Ų | 159.7 | 99% | 0.989 | 80% | 0.799 | S | S | * | * | trans | -56.6 | 112.1 | 173.3 | -83.1 | 178.9 | 174.7 | -173.2 | -1.4 | 109.9 | ||||
| 89 | V | 48.1 | Very low | 42.9 | Very low | 133 Ų | 133 | 161.4 Ų | 161.4 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | -93.7 | 118.6 | 172.4 | -170.2 | 0 | 0 | 0 | 0 | 109.3 | K87 | K87-V89 PolarHBondContact O-N 3.25Å; K87-V89 VanDerWaalsContact O-N 3.17Å | ||
| 90 | R | 53.7 | Low | 43.2 | Very low | 232 Ų | 232 | 161.7 Ų | 161.7 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | trans | -51.1 | 135.7 | 173 | -177.2 | 175.4 | 177.1 | 171.5 | -1.3 | 110.2 | Q92 | R90-Q92 PolarHBondContact O-N 3Š| ||
| 91 | K | 48.4 | Very low | 43.5 | Very low | 217 Ų | 217 | 164.9 Ų | 164.9 | 94% | 0.943 | 81% | 0.808 | S | S | * | * | trans | -49 | 100.5 | -179.6 | -74.5 | -168.6 | 176.1 | -178.7 | 0 | 111.4 | ||||
| 92 | Q | 48 | Very low | 43.9 | Very low | 170 Ų | 170 | 163.5 Ų | 163.5 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -96.7 | 125.7 | 169.1 | -164.5 | 167.9 | 0.5 | 0 | 0 | 108.8 | R90 R94 | R90-Q92 PolarHBondContact O-N 3Å; Q92-R94 PolarHBondContact O-N 2.76Å | ||
| 93 | K | 45.8 | Very low | 44.1 | Very low | 189 Ų | 189 | 164.3 Ų | 164.3 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | -48.3 | 128.8 | -180 | -171.8 | 177.2 | 178.9 | -176.6 | 0 | 110.7 | F95 | K93-F95 PolarHBondContact O-N 2.99Å; K93-F95 VanDerWaalsContact O-N 3.12Å | ||
| 94 | R | 40.3 | Very low | 44.3 | Very low | 244 Ų | 244 | 162.3 Ų | 162.3 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -42.8 | 111.7 | 178.1 | -62.8 | 174.6 | 174.3 | -130.4 | -1.1 | 110.9 | Q92 | Q92-R94 PolarHBondContact O-N 2.76Š| ||
| 95 | F | 43.6 | Very low | 45.2 | Very low | 191 Ų | 191 | 163.1 Ų | 163.1 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | -91.4 | 121.6 | 153 | -83.8 | -84.7 | 0 | 0 | 0 | 107 | K93 | K93-F95 PolarHBondContact O-N 2.99Å; K93-F95 VanDerWaalsContact O-N 3.12Å | ||
| 96 | S | 37.9 | Very low | 45.7 | Very low | 97 Ų | 97 | 163.9 Ų | 163.9 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | -64.3 | 153.4 | 169.4 | 40.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 97 | D | 42.1 | Very low | 46.2 | Very low | 114 Ų | 114 | 164.6 Ų | 164.6 | 61% | 0.61 | 80% | 0.8 | S | S | * | * | trans | 83.9 | 93.2 | 169.2 | -56.2 | -19.8 | 0 | 0 | 0 | 116.7 | F99 | D97-F99 HydrophobicContact CB-CD2 3.69Å; D97-F99 HydrophobicContact CB-CE1 4.22Å; D97-F99 HydrophobicContact CB-CE2 3.1Å; D97-F99 HydrophobicContact CB-CG 4.47Å; D97-F99 HydrophobicContact CB-CZ 3.4Å; D97-F99 VanDerWaalsContact CB-CZ 3.4Å; D97-F99 WeakPolarHBondContact O-CD2 3.48Å; D97-F99 PolarHBondContact O-N 3.03Å; D97-F99 VanDerWaalsContact O-N 3.07Å; D97-F99 WeakPolarHBondContact OD2-CZ 3.4Å | ||
| 98 | D | 45.6 | Very low | 46.1 | Very low | 174 Ų | 174 | 165.5 Ų | 165.5 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | trans | -62.5 | 98.8 | 159 | -69.2 | -38.8 | 0 | 0 | 0 | 109.3 | ||||
| 99 | F | 45.9 | Very low | 46.7 | Very low | 158 Ų | 158 | 157.8 Ų | 157.8 | 69% | 0.693 | 80% | 0.796 | S | S | * | * | trans | -100.8 | 114.2 | 171.5 | -66.5 | -70.4 | 0 | 0 | 0 | 110.6 | D97 T101 | D97-F99 HydrophobicContact CB-CD2 3.69Å; D97-F99 HydrophobicContact CB-CE1 4.22Å; D97-F99 HydrophobicContact CB-CE2 3.1Å; D97-F99 HydrophobicContact CB-CG 4.47Å; D97-F99 HydrophobicContact CB-CZ 3.4Å; D97-F99 VanDerWaalsContact CB-CZ 3.4Å; D97-F99 WeakPolarHBondContact O-CD2 3.48Å; D97-F99 PolarHBondContact O-N 3.03Å; D97-F99 VanDerWaalsContact O-N 3.07Å; D97-F99 WeakPolarHBondContact OD2-CZ 3.4Å; F99-T101 PolarHBondContact O-N 3.08Å | ||
| 100 | V | 45.3 | Very low | 46.3 | Very low | 128 Ų | 128 | 156.6 Ų | 156.6 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -76.5 | 114.4 | 166.4 | -178.3 | 0 | 0 | 0 | 0 | 108.3 | L102 | V100-L102 HydrophobicContact CG1-CD2 4.23Å; V100-L102 HydrophobicContact CG1-CG 4.09Å | ||
| 101 | T | 43.4 | Very low | 45.6 | Very low | 118 Ų | 118 | 152.2 Ų | 152.2 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | trans | -98 | 113.1 | 173.9 | -49.8 | 0 | 0 | 0 | 0 | 108.7 | F99 | F99-T101 PolarHBondContact O-N 3.08Š| ||
| 102 | L | 48.1 | Very low | 45.1 | Very low | 135 Ų | 135 | 147.3 Ų | 147.3 | 71% | 0.707 | 78% | 0.782 | S | S | * | * | trans | -103 | 135.4 | 175.8 | -68.5 | 174.9 | 0 | 0 | 0 | 111.2 | V100 V104 | V100-L102 HydrophobicContact CG1-CD2 4.23Å; V100-L102 HydrophobicContact CG1-CG 4.09Å; L102-V104 PolarHBondContact O-N 3.32Å | ||
| 103 | P | 43.8 | Very low | 44.6 | Very low | 124 Ų | 124 | 147.5 Ų | 147.5 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | trans | -74.3 | 116.7 | 173.6 | 28.8 | -31.3 | 0 | 0 | 0 | 110.5 | ||||
| 104 | V | 46.9 | Very low | 44.6 | Very low | 123 Ų | 123 | 147 Ų | 147 | 75% | 0.745 | 79% | 0.788 | S | S | * | * | trans | -96.8 | 114.6 | 175.1 | -178.4 | 0 | 0 | 0 | 0 | 109.7 | L102 | L102-V104 PolarHBondContact O-N 3.32Š| ||
| 105 | K | 59.7 | Low | 44.4 | Very low | 205 Ų | 205 | 139.9 Ų | 139.9 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | trans | -81.7 | 119.4 | 164.4 | -69.4 | -172.9 | 178.1 | -179.6 | 0 | 108.7 | G107 | K105-G107 PolarHBondContact O-N 3.39Š| ||
| 106 | R | 49.3 | Very low | 44.3 | Very low | 173 Ų | 173 | 140.2 Ų | 140.2 | 65% | 0.653 | 78% | 0.777 | S | S | * | * | trans | -72.7 | 108 | 172.4 | -72.6 | -177.5 | 173.4 | 172.4 | 0.9 | 109.7 | ||||
| 107 | G | 46.3 | Very low | 44.3 | Very low | 73 Ų | 73 | 141.4 Ų | 141.4 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | trans | -83.2 | 141.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | K105 A109 | K105-G107 PolarHBondContact O-N 3.39Å; G107-A109 PolarHBondContact O-N 3.14Å | ||
| 108 | K | 50.7 | Low | 44 | Very low | 216 Ų | 216 | 143.5 Ų | 143.5 | 94% | 0.939 | 79% | 0.791 | S | S | * | * | trans | -73.1 | 114 | 171 | -67.3 | 177.9 | 178.5 | 178.4 | 0 | 108 | S110 | K108-S110 PolarHBondContact O-N 3.3Š| ||
| 109 | A | 48.3 | Very low | 44 | Very low | 99 Ų | 99 | 144.5 Ų | 144.5 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -71.8 | 118.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | G107 | G107-A109 PolarHBondContact O-N 3.14Š| ||
| 110 | S | 39.3 | Very low | 43.9 | Very low | 108 Ų | 108 | 142.9 Ų | 142.9 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -77.9 | 123 | 164.2 | 55.9 | 0 | 0 | 0 | 0 | 109.1 | K108 T112 | K108-S110 PolarHBondContact O-N 3.3Å; S110-T112 PolarHBondContact O-N 2.79Å | ||
| 111 | T | 38 | Very low | 43.8 | Very low | 140 Ų | 140 | 140.9 Ų | 140.9 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | trans | -77.5 | 101.4 | 173.6 | 43.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 112 | T | 39.8 | Very low | 43.8 | Very low | 115 Ų | 115 | 139.3 Ų | 139.3 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -140.2 | 106.7 | 163.5 | -36.1 | 0 | 0 | 0 | 0 | 109.7 | S110 | S110-T112 PolarHBondContact O-N 2.79Š| ||
| 113 | E | 37.7 | Very low | 44.2 | Very low | 173 Ų | 173 | 139.3 Ų | 139.3 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | trans | 32.1 | 108.6 | 147.9 | -57.2 | -173.2 | 162 | 0 | 0 | 119.5 | ||||
| 114 | L | 44.1 | Very low | 44.2 | Very low | 179 Ų | 179 | 142.2 Ų | 142.2 | 94% | 0.937 | 79% | 0.789 | S | S | * | * | trans | -143.3 | 103 | 138.8 | -74.9 | -178.5 | 0 | 0 | 0 | 109.2 | ||||
| 115 | S | 36.7 | Very low | 44 | Very low | 95 Ų | 95 | 147.4 Ų | 147.4 | 66% | 0.664 | 80% | 0.795 | S | S | * | * | trans | -101.9 | 124 | 170.6 | 52.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 116 | F | 40.6 | Very low | 43.7 | Very low | 198 Ų | 198 | 147 Ų | 147 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | trans | -162.4 | 98.6 | 148.6 | -79.3 | -68.8 | 0 | 0 | 0 | 105.7 | ||||
| 117 | V | 39.3 | Very low | 43.6 | Very low | 121 Ų | 121 | 149.1 Ų | 149.1 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | 51.4 | 105.7 | 97 | -172.8 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 118 | D | 35.8 | Very low | 43.7 | Very low | 158 Ų | 158 | 150.7 Ų | 150.7 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | -160.5 | 140 | 78.3 | -119.2 | -26.6 | 0 | 0 | 0 | 113.5 | |||||
| 119 | R | 45.5 | Very low | 43.2 | Very low | 195 Ų | 195 | 151.1 Ų | 151.1 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | trans | -132.6 | 140.7 | 172.5 | -171.9 | -169.6 | -176.8 | -162.1 | 0.8 | 107.4 | ||||
| 120 | P | 43.8 | Very low | 43 | Very low | 125 Ų | 125 | 152.2 Ų | 152.2 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | -146.2 | 162.4 | 120.5 | 31.8 | -14.2 | 0 | 0 | 0 | 110.6 | |||||
| 121 | A | 43.2 | Very low | 43.8 | Very low | 86 Ų | 86 | 152.5 Ų | 152.5 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | cis | -162.6 | 141.3 | -7.6 | 0 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 122 | S | 43.1 | Very low | 44.4 | Very low | 85 Ų | 85 | 151.6 Ų | 151.6 | 59% | 0.594 | 80% | 0.804 | S | S | * | * | trans | -104.8 | 126.4 | 169.6 | 74.3 | 0 | 0 | 0 | 0 | 109.8 | Q124 | S122-Q124 PolarHBondContact O-N 2.92Š| ||
| 123 | P | 57.4 | Low | 44.9 | Very low | 134 Ų | 134 | 155.9 Ų | 155.9 | 87% | 0.87 | 81% | 0.813 | S | S | * | * | trans | -78.4 | 115.5 | 169.7 | -10.3 | 27.1 | 0 | 0 | 0 | 110.8 | ||||
| 124 | Q | 42.2 | Very low | 45.3 | Very low | 186 Ų | 186 | 152.7 Ų | 152.7 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | trans | -75.1 | 118.5 | 170.4 | -177.6 | -179.5 | -8.4 | 0 | 0 | 109.4 | S122 | S122-Q124 PolarHBondContact O-N 2.92Š| ||
| 125 | R | 42.9 | Very low | 45.5 | Very low | 231 Ų | 231 | 153.8 Ų | 153.8 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -142.9 | 109.9 | 161.9 | -114.8 | 177.9 | 85 | -178.2 | 4.1 | 114.4 | ||||
| 126 | K | 54.2 | Low | 46 | Very low | 198 Ų | 198 | 155.4 Ų | 155.4 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | trans | 42.8 | 121 | 141.3 | -63.9 | -168.7 | 176.7 | -177.6 | 0 | 120.2 | ||||
| 127 | K | 47.5 | Very low | 46.4 | Very low | 216 Ų | 216 | 150.7 Ų | 150.7 | 94% | 0.939 | 82% | 0.816 | S | S | * | * | trans | -53.1 | 138.6 | 161.4 | -61.2 | -178.7 | 175.8 | -179.2 | 0 | 112.1 | ||||
| 128 | A | 47.5 | Very low | 46.9 | Very low | 107 Ų | 107 | 150 Ų | 150 | 88% | 0.884 | 82% | 0.817 | S | S | * | * | trans | -135.2 | 129.6 | 147.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 129 | R | 40 | Very low | 47.4 | Very low | 225 Ų | 225 | 151.7 Ų | 151.7 | 85% | 0.849 | 82% | 0.817 | S | S | * | * | trans | -107.6 | 126.5 | -178 | 172.1 | -175.9 | -176.4 | -170.1 | 1.4 | 106.5 | ||||
| 130 | S | 45.4 | Very low | 47.5 | Very low | 121 Ų | 121 | 147 Ų | 147 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | trans | -142.4 | 125.8 | 158 | 55.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 131 | T | 54.9 | Low | 47.4 | Very low | 115 Ų | 115 | 146.4 Ų | 146.4 | 71% | 0.706 | 82% | 0.818 | S | S | * | * | trans | -84.5 | 171.7 | -172.6 | 31.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 132 | P | 51.1 | Low | 47.6 | Very low | 120 Ų | 120 | 146.9 Ų | 146.9 | 78% | 0.779 | 82% | 0.822 | S | S | * | * | trans | -108.2 | 174.9 | -143.5 | 41.4 | -35.3 | 0 | 0 | 0 | 114.6 | ||||
| 133 | K | 48.9 | Very low | 47.7 | Very low | 205 Ų | 205 | 148.1 Ų | 148.1 | 89% | 0.891 | 84% | 0.838 | S | S | * | * | trans | -147.4 | 133.8 | 156.2 | -100.3 | 177.5 | -179.7 | 178.6 | 0 | 113.7 | ||||
| 134 | S | 47.3 | Very low | 46.8 | Very low | 106 Ų | 106 | 149 Ų | 149 | 74% | 0.741 | 83% | 0.83 | S | S | * | * | trans | -34.7 | 174.9 | 163.1 | 53.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 135 | K | 47.4 | Very low | 47.2 | Very low | 202 Ų | 202 | 152 Ų | 152 | 88% | 0.878 | 83% | 0.834 | S | S | * | * | cis | 179.9 | 144.1 | -8.7 | -107.4 | 178.7 | 173.2 | 178.2 | 0 | 103.4 | ||||
| 136 | S | 47.4 | Very low | 47.3 | Very low | 130 Ų | 130 | 147.6 Ų | 147.6 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | trans | -170.8 | 141.2 | 142.5 | 47.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 137 | A | 49.4 | Very low | 47 | Very low | 98 Ų | 98 | 146.9 Ų | 146.9 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | trans | -118.9 | 156.8 | -163.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 138 | S | 49.7 | Very low | 46.7 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | 163.9 | 142.9 | 149.7 | -92 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 139 | K | 46.4 | Very low | 46.9 | Very low | 192 Ų | 192 | 145.4 Ų | 145.4 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | cis | -167.3 | 148.3 | 5.4 | -115.3 | 169.4 | 179.4 | 177.2 | 0 | 108.2 | ||||
| 140 | A | 47.7 | Very low | 46.9 | Very low | 98 Ų | 98 | 142.6 Ų | 142.6 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | 7.4 | 155.2 | 151.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 141 | S | 42.8 | Very low | 47.1 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | -178.3 | 121.8 | 50 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 142 | A | 46.8 | Very low | 46.6 | Very low | 96 Ų | 96 | 147.4 Ų | 147.4 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | 82.2 | 121.2 | 93.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 143 | A | 45.5 | Very low | 46.3 | Very low | 111 Ų | 111 | 150.3 Ų | 150.3 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | trans | -172.3 | 102.4 | 132.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 144 | E | 38.9 | Very low | 46.1 | Very low | 153 Ų | 153 | 144.8 Ų | 144.8 | 72% | 0.715 | 80% | 0.795 | S | S | * | * | trans | -99.2 | 147.9 | 174.2 | 174 | -176.2 | 165.8 | 0 | 0 | 110 | Q146 | E144-Q146 PolarHBondContact OE1-NE2 3.19Š| ||
| 145 | R | 50.6 | Low | 46 | Very low | 249 Ų | 249 | 147.5 Ų | 147.5 | 94% | 0.94 | 80% | 0.796 | S | S | * | * | trans | -175.9 | 95.1 | 157.2 | -100.4 | 168.2 | -172.8 | -150.7 | 2.1 | 106.3 | ||||
| 146 | Q | 44.9 | Very low | 45.7 | Very low | 138 Ų | 138 | 146.5 Ų | 146.5 | 65% | 0.645 | 80% | 0.795 | S | S | * | * | 73.9 | 130.1 | 58.6 | -129.6 | -165.5 | 55.3 | 0 | 0 | 115.6 | E144 | E144-Q146 PolarHBondContact OE1-NE2 3.19Š| |||
| 147 | K | 47.9 | Very low | 45.5 | Very low | 184 Ų | 184 | 147.6 Ų | 147.6 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | trans | 88.9 | 147.8 | 162 | -55.5 | -175.5 | -177.7 | -175.7 | 0 | 117.5 | ||||
| 148 | A | 41.1 | Very low | 45 | Very low | 86 Ų | 86 | 148.8 Ų | 148.8 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | cis | 174.2 | 136.7 | -20 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 149 | K | 51.1 | Low | 44.7 | Very low | 206 Ų | 206 | 149.1 Ų | 149.1 | 90% | 0.896 | 79% | 0.785 | S | S | * | * | trans | 149.8 | 110.4 | 133.6 | -92.2 | -177.7 | 169.4 | 178 | 0 | 113.9 | ||||
| 150 | E | 40.3 | Very low | 44.7 | Very low | 165 Ų | 165 | 146 Ų | 146 | 77% | 0.771 | 78% | 0.784 | S | S | * | * | trans | -43.6 | 147 | 148.3 | 180 | -176.8 | -172 | 0 | 0 | 115.2 | ||||
| 151 | N | 49.9 | Very low | 44.7 | Very low | 124 Ų | 124 | 146.5 Ų | 146.5 | 66% | 0.663 | 78% | 0.782 | S | S | * | * | 178.5 | 126.9 | 123.3 | -94.7 | -40.6 | 0 | 0 | 0 | 115.9 | |||||
| 152 | R | 43.7 | Very low | 44.6 | Very low | 213 Ų | 213 | 147.6 Ų | 147.6 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 52 | 118.5 | 132.5 | -78 | 177.4 | 174.3 | 175.7 | -2.7 | 120.5 | ||||
| 153 | K | 44.3 | Very low | 44.2 | Very low | 181 Ų | 181 | 147.3 Ų | 147.3 | 79% | 0.787 | 78% | 0.776 | S | S | * | * | 89.7 | 122 | 72.9 | -95.6 | -153.4 | 174.6 | -152.6 | 0 | 113.5 | E155 | K153-E155 IonicContact NZ-OE1 2.69Š| |||
| 154 | A | 44.6 | Very low | 44.2 | Very low | 90 Ų | 90 | 150.1 Ų | 150.1 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | trans | 177.5 | 110.2 | 141.4 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 155 | E | 45.1 | Very low | 44.2 | Very low | 162 Ų | 162 | 147 Ų | 147 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | 44.7 | 120.5 | 81.4 | -67.5 | 176.6 | -156.7 | 0 | 0 | 110.2 | K153 | K153-E155 IonicContact NZ-OE1 2.69Š| |||
| 156 | E | 42.9 | Very low | 44 | Very low | 182 Ų | 182 | 143.6 Ų | 143.6 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | -175 | 160.8 | 68.3 | -169 | 169.5 | 175.7 | 0 | 0 | 112.4 | |||||
| 157 | N | 41.8 | Very low | 43.8 | Very low | 152 Ų | 152 | 142.3 Ų | 142.3 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | -62.3 | -179.6 | -174.7 | -78 | -44.8 | 0 | 0 | 0 | 117.5 | ||||
| 158 | V | 40.4 | Very low | 43.3 | Very low | 124 Ų | 124 | 138 Ų | 138 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | 135.9 | 127.5 | 137.3 | 170.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 159 | T | 42.7 | Very low | 43.5 | Very low | 114 Ų | 114 | 143 Ų | 143 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | cis | -172.1 | 153.1 | -8.7 | 27.5 | 0 | 0 | 0 | 0 | 106 | ||||
| 160 | P | 46.9 | Very low | 42.9 | Very low | 126 Ų | 126 | 143.6 Ų | 143.6 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -102.1 | 135.8 | 170 | 35.1 | -24.7 | 0 | 0 | 0 | 111.7 | ||||
| 161 | S | 46.1 | Very low | 42.9 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -146.6 | 131.7 | 173.1 | -63.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 162 | T | 41.2 | Very low | 42.8 | Very low | 135 Ų | 135 | 140 Ų | 140 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | trans | 111.2 | 109.3 | 138.3 | -49.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 163 | S | 39.1 | Very low | 42.8 | Very low | 90 Ų | 90 | 136 Ų | 136 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | trans | -75.5 | 161 | 165 | 58.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 164 | M | 45.2 | Very low | 42.7 | Very low | 170 Ų | 170 | 135 Ų | 135 | 84% | 0.837 | 79% | 0.787 | S | S | * | * | trans | 177.9 | 114.8 | 132.4 | -87.3 | -53.2 | 147.1 | 0 | 0 | 107.1 | ||||
| 165 | A | 38.7 | Very low | 42.8 | Very low | 86 Ų | 86 | 136.2 Ų | 136.2 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | 59.6 | 128.6 | 98.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 166 | Q | 46.5 | Very low | 42.5 | Very low | 179 Ų | 179 | 133.1 Ų | 133.1 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | cis | -158.3 | -154.2 | 31.6 | -64 | -175 | -16.2 | 0 | 0 | 110.9 | ||||
| 167 | P | 40.5 | Very low | 42.5 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | -125.7 | -176.7 | -91.1 | 40 | -20.7 | 0 | 0 | 0 | 114.5 | |||||
| 168 | A | 37 | Very low | 42.7 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | trans | 81.6 | 96.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 169 | E | 46.8 | Very low | 42.8 | Very low | 189 Ų | 189 | 130 Ų | 130 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | -175.4 | 140.7 | 108 | -103.4 | 178.1 | 176.2 | 0 | 0 | 110.8 | V171 | E169-V171 PolarHBondContact O-N 3.2Å; E169-V171 VanDerWaalsContact O-N 3.14Å | |||
| 170 | F | 36.5 | Very low | 42.9 | Very low | 220 Ų | 220 | 130 Ų | 130 | 97% | 0.965 | 79% | 0.789 | S | S | * | * | trans | -79.7 | 91.1 | -167.5 | -147.4 | -97.9 | 0 | 0 | 0 | 109.6 | ||||
| 171 | V | 42 | Very low | 42.9 | Very low | 129 Ų | 129 | 129.3 Ų | 129.3 | 78% | 0.782 | 78% | 0.783 | S | S | * | * | trans | -119.3 | 119.1 | 171.9 | -173.4 | 0 | 0 | 0 | 0 | 108.6 | E169 | E169-V171 PolarHBondContact O-N 3.2Å; E169-V171 VanDerWaalsContact O-N 3.14Å | ||
| 172 | A | 47.2 | Very low | 42.9 | Very low | 83 Ų | 83 | 129.8 Ų | 129.8 | 69% | 0.686 | 79% | 0.786 | S | S | * | * | trans | -49.6 | 135.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112 | L174 | A172-L174 PolarHBondContact O-N 2.76Š| ||
| 173 | P | 43.2 | Very low | 43.3 | Very low | 130 Ų | 130 | 125.6 Ų | 125.6 | 84% | 0.844 | 77% | 0.77 | S | S | * | * | trans | -72.2 | 107.2 | -179.4 | 27.8 | -30.9 | 0 | 0 | 0 | 109.7 | ||||
| 174 | L | 43.3 | Very low | 43.8 | Very low | 160 Ų | 160 | 129.8 Ų | 129.8 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -54.2 | 137.7 | 159.3 | -82.1 | 155.2 | 0 | 0 | 0 | 108.2 | A172 A176 | A172-L174 PolarHBondContact O-N 2.76Å; L174-A176 PolarHBondContact O-N 3.19Å; L174-A176 VanDerWaalsContact O-N 3.1Å | ||
| 175 | P | 45.6 | Very low | 44.1 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | trans | -57.6 | 122.5 | -176.6 | 23.7 | -32.4 | 0 | 0 | 0 | 109.3 | A177 | P175-A177 PolarHBondContact O-N 3.43Š| ||
| 176 | A | 38.7 | Very low | 44.8 | Very low | 98 Ų | 98 | 130.8 Ų | 130.8 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | -55.1 | 108.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | L174 E178 | L174-A176 PolarHBondContact O-N 3.19Å; L174-A176 VanDerWaalsContact O-N 3.1Å; A176-E178 PolarHBondContact O-N 3Å; A176-E178 VanDerWaalsContact O-N 3.1Å | ||
| 177 | A | 43.2 | Very low | 45.1 | Very low | 100 Ų | 100 | 127 Ų | 127 | 83% | 0.826 | 75% | 0.748 | S | S | * | * | trans | -64.9 | 111.4 | 175 | 0 | 0 | 0 | 0 | 0 | 107.9 | P175 | P175-A177 PolarHBondContact O-N 3.43Š| ||
| 178 | E | 45.2 | Very low | 46.1 | Very low | 171 Ų | 171 | 128 Ų | 128 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | trans | -52.2 | 141.1 | 173.7 | -66.2 | -175.1 | 163.8 | 0 | 0 | 110.2 | A176 V180 | A176-E178 PolarHBondContact O-N 3Å; A176-E178 VanDerWaalsContact O-N 3.1Å; E178-V180 PolarHBondContact O-N 3Å | ||
| 179 | P | 42.8 | Very low | 47.3 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 78% | 0.779 | 73% | 0.725 | S | S | * | * | trans | -58.4 | 118.2 | -179.9 | 23 | -31.9 | 0 | 0 | 0 | 109.8 | T181 | P179-T181 PolarHBondContact O-N 3.09Š| ||
| 180 | V | 44.2 | Very low | 48.1 | Very low | 114 Ų | 114 | 124.3 Ų | 124.3 | 69% | 0.691 | 71% | 0.708 | S | S | * | * | trans | -62.7 | 107.6 | 173.8 | -178.5 | 0 | 0 | 0 | 0 | 107.3 | E178 S182 | E178-V180 PolarHBondContact O-N 3Å; V180-S182 PolarHBondContact O-N 3.05Å | ||
| 181 | T | 47.3 | Very low | 49.2 | Very low | 112 Ų | 112 | 118.8 Ų | 118.8 | 69% | 0.687 | 69% | 0.694 | S | S | * | * | trans | -62.2 | 106.1 | 174.7 | 40.9 | 0 | 0 | 0 | 0 | 109.3 | P179 G183 | P179-T181 PolarHBondContact O-N 3.09Å; T181-G183 PolarHBondContact O-N 3.2Å | ||
| 182 | S | 45.9 | Very low | 50.3 | Low | 120 Ų | 120 | 116.8 Ų | 116.8 | 84% | 0.839 | 68% | 0.682 | S | S | * | * | trans | -73.4 | 108.7 | 171.4 | 56.4 | 0 | 0 | 0 | 0 | 108.8 | V180 | V180-S182 PolarHBondContact O-N 3.05Š| ||
| 183 | G | 50 | Low | 50.9 | Low | 47 Ų | 47 | 114.9 Ų | 114.9 | 49% | 0.485 | 67% | 0.671 | S | S | . | * | trans | -93 | 138 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | T181 F185 | T181-G183 PolarHBondContact O-N 3.2Å; G183-F185 WeakPolarHBondContact O-CD2 3.39Å | ||
| 184 | Q | 50.1 | Low | 51.1 | Low | 178 Ų | 178 | 116.3 Ų | 116.3 | 83% | 0.832 | 67% | 0.67 | S | S | * | * | trans | -76.8 | 130 | 163.3 | -89.5 | -178 | -12.8 | 0 | 0 | 109.3 | ||||
| 185 | F | 51.7 | Low | 51.4 | Low | 134 Ų | 134 | 115.8 Ų | 115.8 | 59% | 0.588 | 67% | 0.668 | S | S | * | * | trans | -107.9 | 123 | 172.5 | -63.1 | -87.3 | 0 | 0 | 0 | 109.2 | G183 | G183-F185 WeakPolarHBondContact O-CD2 3.39Š| ||
| 186 | K | 52.5 | Low | 51.3 | Low | 143 Ų | 143 | 118.9 Ų | 118.9 | 62% | 0.622 | 67% | 0.665 | S | S | * | * | trans | -87.3 | 106.8 | 170.2 | -71.1 | 174.5 | -175.1 | 161.3 | 0 | 108.6 | S202 E205 | K186-S202 PolarHBondContact O-OG 3.24Å; K186-E205 IonicContact NZ-OE2 3.78Å; K186-E205 PolarHBondContact NZ-OE2 3.1Å | ||
| 187 | I | 53.2 | Low | 51.9 | Low | 99 Ų | 99 | 119.4 Ų | 119.4 | 51% | 0.508 | 65% | 0.649 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.6 | 121.6 | 175 | -59.1 | 174.3 | 0 | 0 | 0 | 108.3 | L189 V199 | I187-L189 HydrophobicContact CG2-CD2 3.81Å; I187-L189 HydrophobicContact CG2-CG 4.31Å; I187-V199 HydrophobicContact CG2-CG1 3.7Å |
| 188 | K | 62.4 | Low | 52.4 | Low | 132 Ų | 132 | 121 Ų | 121 | 57% | 0.574 | 64% | 0.637 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.2 | 109.9 | 172.5 | -165.9 | 167.5 | -173.1 | 167.6 | 0 | 108.7 | T200 | K188-T200 PolarHBondContact O-N 2.85Å; K188-T200 PolarHBondContact O-OG1 3.3Å |
| 189 | L | 61.1 | Low | 52.7 | Low | 83 Ų | 83 | 116.6 Ų | 116.6 | 44% | 0.435 | 62% | 0.622 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.1 | 125.2 | 173.5 | -60.2 | 179.5 | 0 | 0 | 0 | 109.3 | I187 F197 V199 | I187-L189 HydrophobicContact CG2-CD2 3.81Å; I187-L189 HydrophobicContact CG2-CG 4.31Å; L189-F197 HydrophobicContact CB-CB 4.48Å; L189-F197 HydrophobicContact CB-CD1 4.08Å; L189-F197 HydrophobicContact CD1-CD1 4.46Å; L189-F197 HydrophobicContact CD2-CB 4.24Å; L189-V199 HydrophobicContact CD2-CB 4.44Å; L189-V199 HydrophobicContact CD2-CG2 3.78Å |
| 190 | K | 64.7 | Low | 53.2 | Low | 122 Ų | 122 | 113.6 Ų | 113.6 | 53% | 0.53 | 60% | 0.601 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.7 | 123.6 | 167.7 | -71.2 | -173.7 | 177.8 | -177.4 | 0 | 108.9 | T192 K198 | K190-T192 PolarHBondContact O-N 3.41Å; K190-K198 PolarHBondContact N-O 2.88Å; K190-K198 PolarHBondContact O-N 3.07Å |
| 191 | P | 59.6 | Low | 53.7 | Low | 104 Ų | 104 | 112.5 Ų | 112.5 | 68% | 0.675 | 60% | 0.599 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -65 | 134.9 | 175 | 26.6 | -31.9 | 0 | 0 | 0 | 109.7 | ||
| 192 | T | 64.8 | Low | 53.9 | Low | 87 Ų | 87 | 110.4 Ų | 110.4 | 53% | 0.534 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.1 | 0.6 | 179.2 | 50.5 | 0 | 0 | 0 | 0 | 112.7 | K190 R196 K198 | K190-T192 PolarHBondContact O-N 3.41Å; T192-R196 PolarHBondContact N-O 3.26Å; T192-R196 VanDerWaalsContact OG1-C 3.26Å; T192-R196 WeakPolarHBondContact OG1-CB 3.48Å; T192-R196 PolarHBondContact OG1-O 3.41Å; T192-K198 HydrophobicContact CG2-CB 3.81Å |
| 193 | G | 58.5 | Low | 53.9 | Low | 44 Ų | 44 | 108 Ų | 108 | 45% | 0.454 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 162.2 | -179.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | N195 R196 | G193-N195 PolarHBondContact O-N 3.2Å; G193-R196 PolarHBondContact O-N 3.28Å |
| 194 | I | 48.4 | Very low | 53.5 | Low | 159 Ų | 159 | 112.4 Ų | 112.4 | 82% | 0.815 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | 121.1 | 170.3 | -60.3 | 168.7 | 0 | 0 | 0 | 107.3 | R196 | I194-R196 VanDerWaalsContact C-N 3.28Å; I194-R196 PolarHBondContact O-N 3.09Å |
| 195 | N | 49.7 | Very low | 53.3 | Low | 149 Ų | 149 | 111.4 Ų | 111.4 | 80% | 0.797 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.1 | 21.3 | -177.9 | -59.1 | -24.5 | 0 | 0 | 0 | 116.7 | G193 | G193-N195 PolarHBondContact O-N 3.2Š|
| 196 | R | 44.3 | Very low | 53.3 | Low | 180 Ų | 180 | 113.7 Ų | 113.7 | 68% | 0.679 | 60% | 0.599 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -123.6 | 119.8 | 177.6 | -63.8 | -176.2 | -179.7 | -175.7 | 0 | 111.9 | T192 G193 I194 | T192-R196 PolarHBondContact N-O 3.26Å; T192-R196 VanDerWaalsContact OG1-C 3.26Å; T192-R196 WeakPolarHBondContact OG1-CB 3.48Å; T192-R196 PolarHBondContact OG1-O 3.41Å; G193-R196 PolarHBondContact O-N 3.28Å; I194-R196 VanDerWaalsContact C-N 3.28Å; I194-R196 PolarHBondContact O-N 3.09Å |
| 197 | F | 51.1 | Low | 52.7 | Low | 110 Ų | 110 | 115.6 Ų | 115.6 | 48% | 0.482 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.3 | 129.2 | 176.5 | -59.6 | -86.3 | 0 | 0 | 0 | 110.6 | L189 V199 | L189-F197 HydrophobicContact CB-CB 4.48Å; L189-F197 HydrophobicContact CB-CD1 4.08Å; L189-F197 HydrophobicContact CD1-CD1 4.46Å; L189-F197 HydrophobicContact CD2-CB 4.24Å; F197-V199 PolarHBondContact O-N 3.37Å |
| 198 | K | 52.5 | Low | 52.4 | Low | 132 Ų | 132 | 118.9 Ų | 118.9 | 57% | 0.574 | 62% | 0.623 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.5 | 111.7 | 165.5 | -171.5 | 171.4 | -177.6 | 170.8 | 0 | 108 | K190 T192 T200 | K190-K198 PolarHBondContact N-O 2.88Å; K190-K198 PolarHBondContact O-N 3.07Å; T192-K198 HydrophobicContact CG2-CB 3.81Å; K198-T200 HydrophobicContact CG-CG2 4.32Å; K198-T200 PolarHBondContact O-N 3.48Å |
| 199 | V | 52.6 | Low | 51.6 | Low | 79 Ų | 79 | 117.8 Ų | 117.8 | 48% | 0.479 | 63% | 0.63 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.2 | 113.7 | 172.7 | -176.8 | 0 | 0 | 0 | 0 | 107.7 | I187 L189 F197 | I187-V199 HydrophobicContact CG2-CG1 3.7Å; L189-V199 HydrophobicContact CD2-CB 4.44Å; L189-V199 HydrophobicContact CD2-CG2 3.78Å; F197-V199 PolarHBondContact O-N 3.37Å |
| 200 | T | 53.5 | Low | 50.5 | Low | 57 Ų | 57 | 119.7 Ų | 119.7 | 35% | 0.35 | 65% | 0.647 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.6 | 111.2 | 165.8 | 52 | 0 | 0 | 0 | 0 | 107.9 | K188 K198 S202 | K188-T200 PolarHBondContact O-N 2.85Å; K188-T200 PolarHBondContact O-OG1 3.3Å; K198-T200 HydrophobicContact CG-CG2 4.32Å; K198-T200 PolarHBondContact O-N 3.48Å; T200-S202 PolarHBondContact O-N 2.82Å |
| 201 | S | 54 | Low | 49.5 | Very low | 91 Ų | 91 | 118.7 Ų | 118.7 | 64% | 0.636 | 66% | 0.662 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -70.3 | 114.4 | 171.4 | 59.9 | 0 | 0 | 0 | 0 | 108.6 | ||
| 202 | S | 51.9 | Low | 48.8 | Very low | 68 Ų | 68 | 123.1 Ų | 123.1 | 48% | 0.476 | 67% | 0.67 | S | S | . | * | trans | -93 | 114.6 | 168.9 | 51 | 0 | 0 | 0 | 0 | 109 | K186 T200 | K186-S202 PolarHBondContact O-OG 3.24Å; T200-S202 PolarHBondContact O-N 2.82Å | ||
| 203 | G | 44.7 | Very low | 47.8 | Very low | 71 Ų | 71 | 130.3 Ų | 130.3 | 73% | 0.732 | 69% | 0.688 | S | S | * | * | trans | 46.8 | 113 | 149.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | E205 | G203-E205 PolarHBondContact O-N 3.26Š| ||
| 204 | I | 42.2 | Very low | 47.1 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 71% | 0.713 | 70% | 0.702 | S | S | * | * | trans | -60.6 | 105.8 | 159.7 | -63.8 | 166.6 | 0 | 0 | 0 | 107.8 | K206 | I204-K206 HydrophobicContact CG2-CG 3.73Å; I204-K206 PolarHBondContact O-N 3.21Å; I204-K206 VanDerWaalsContact O-N 3.11Å | ||
| 205 | E | 46.5 | Very low | 47.1 | Very low | 157 Ų | 157 | 135 Ų | 135 | 73% | 0.734 | 70% | 0.703 | S | S | * | * | trans | -69.4 | 100.9 | 156.5 | -88 | -177.9 | 140.7 | 0 | 0 | 106.6 | K186 G203 E207 | K186-E205 IonicContact NZ-OE2 3.78Å; K186-E205 PolarHBondContact NZ-OE2 3.1Å; G203-E205 PolarHBondContact O-N 3.26Å; E205-E207 VanDerWaalsContact C-N 3.29Å; E205-E207 PolarHBondContact O-N 3.44Å | ||
| 206 | K | 50.1 | Low | 46.9 | Very low | 182 Ų | 182 | 137.9 Ų | 137.9 | 79% | 0.791 | 71% | 0.709 | S | S | * | * | trans | -70.9 | 87.9 | 171.3 | -71.8 | -176.2 | 177.6 | -178.9 | 0 | 108.3 | I204 H208 | I204-K206 HydrophobicContact CG2-CG 3.73Å; I204-K206 PolarHBondContact O-N 3.21Å; I204-K206 VanDerWaalsContact O-N 3.11Å; K206-H208 PolarHBondContact O-N 2.97Å | ||
| 207 | E | 40.2 | Very low | 47.2 | Very low | 183 Ų | 183 | 135.9 Ų | 135.9 | 86% | 0.855 | 72% | 0.717 | S | S | * | * | trans | -71.5 | 83.2 | 153.3 | -83.1 | -163.7 | 152.1 | 0 | 0 | 108 | E205 | E205-E207 VanDerWaalsContact C-N 3.29Å; E205-E207 PolarHBondContact O-N 3.44Å | ||
| 208 | H | 47.1 | Very low | 46.7 | Very low | 168 Ų | 168 | 135.2 Ų | 135.2 | 78% | 0.778 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 179.1 | 134.3 | 144.7 | -106 | -79.3 | 0 | 0 | 0 | 109.4 | K206 | K206-H208 PolarHBondContact O-N 2.97Š|
| 209 | P | 45.9 | Very low | 46.4 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 71% | 0.708 | 74% | 0.737 | S | S | * | * | trans | -68.7 | 157.6 | -176.8 | 28.7 | -33.6 | 0 | 0 | 0 | 112.3 | A211 | P209-A211 PolarHBondContact O-N 3.39Š| ||
| 210 | P | 38.2 | Very low | 46.3 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | trans | -79.2 | 109.4 | -156.9 | 31.5 | -33.1 | 0 | 0 | 0 | 111.9 | K212 | P210-K212 PolarHBondContact O-N 3.24Å; P210-K212 VanDerWaalsContact O-N 3.09Å | ||
| 211 | A | 43.4 | Very low | 45.9 | Very low | 102 Ų | 102 | 144 Ų | 144 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | trans | -68.1 | 106.8 | 157.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | P209 R213 | P209-A211 PolarHBondContact O-N 3.39Å; A211-R213 PolarHBondContact O-N 3.28Å; A211-R213 VanDerWaalsContact O-N 3.14Å | ||
| 212 | K | 45.1 | Very low | 45.3 | Very low | 196 Ų | 196 | 146.3 Ų | 146.3 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | trans | -43.2 | 116.2 | 169.4 | -61.3 | 171.4 | 179.4 | 176.5 | 0 | 109.2 | P210 | P210-K212 PolarHBondContact O-N 3.24Å; P210-K212 VanDerWaalsContact O-N 3.09Å | ||
| 213 | R | 43.5 | Very low | 44.8 | Very low | 238 Ų | 238 | 147.6 Ų | 147.6 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | trans | 174.3 | 138.7 | 133.2 | -92.7 | 158.7 | 108 | 165 | 4.2 | 113.6 | A211 | A211-R213 PolarHBondContact O-N 3.28Å; A211-R213 VanDerWaalsContact O-N 3.14Å | ||
| 214 | S | 44.5 | Very low | 44.8 | Very low | 108 Ų | 108 | 151.1 Ų | 151.1 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | 61.9 | 101.4 | 156.7 | 60.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 215 | K | 48.6 | Very low | 44.5 | Very low | 193 Ų | 193 | 153.3 Ų | 153.3 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | 44.8 | 109.9 | 124 | -81.7 | -179.7 | 174.8 | 176.1 | 0 | 118.6 | |||||
| 216 | K | 44.5 | Very low | 44.4 | Very low | 211 Ų | 211 | 151.6 Ų | 151.6 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | trans | 44.2 | 82.8 | 136.5 | -69.5 | -176.7 | 176.3 | -178.9 | 0 | 115.5 | ||||
| 217 | T | 50.5 | Low | 43.9 | Very low | 138 Ų | 138 | 148.6 Ų | 148.6 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | trans | -114.4 | 117 | 152.1 | 53.7 | 0 | 0 | 0 | 0 | 108.6 | S219 | T217-S219 PolarHBondContact O-N 3.41Š| ||
| 218 | S | 40.6 | Very low | 44.2 | Very low | 96 Ų | 96 | 145.5 Ų | 145.5 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | trans | -48.2 | 121.1 | 173.2 | 154.5 | 0 | 0 | 0 | 0 | 110.5 | K220 | S218-K220 PolarHBondContact O-N 3.11Š| ||
| 219 | S | 46.5 | Very low | 43.9 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | -67.6 | 82.8 | 166.4 | 54.8 | 0 | 0 | 0 | 0 | 109.2 | T217 | T217-S219 PolarHBondContact O-N 3.41Š| ||
| 220 | K | 50.1 | Low | 43.4 | Very low | 177 Ų | 177 | 141.6 Ų | 141.6 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | -73.6 | 129.6 | 162.5 | -77.7 | -177.1 | 177.1 | 179.2 | 0 | 107.2 | S218 L222 | S218-K220 PolarHBondContact O-N 3.11Å; K220-L222 PolarHBondContact O-N 3.04Å; K220-L222 VanDerWaalsContact O-N 3.08Å | ||
| 221 | D | 44.9 | Very low | 43.3 | Very low | 160 Ų | 160 | 142.7 Ų | 142.7 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | -43.4 | 111.3 | 179.3 | -63.5 | -53.9 | 0 | 0 | 0 | 111.3 | A223 | D221-A223 VanDerWaalsContact C-N 3.29Å; D221-A223 PolarHBondContact O-N 2.98Å | ||
| 222 | L | 43 | Very low | 43 | Very low | 139 Ų | 139 | 142.7 Ų | 142.7 | 73% | 0.728 | 77% | 0.772 | S | S | * | * | trans | -72.1 | 93.6 | 161.9 | -94 | 125.3 | 0 | 0 | 0 | 106.5 | K220 F224 | K220-L222 PolarHBondContact O-N 3.04Å; K220-L222 VanDerWaalsContact O-N 3.08Å; L222-F224 HydrophobicContact CB-CE1 4.3Å; L222-F224 HydrophobicContact CB-CE2 4.13Å; L222-F224 HydrophobicContact CB-CZ 3.83Å; L222-F224 HydrophobicContact CD2-CE1 4.06Å; L222-F224 HydrophobicContact CD2-CZ 4.29Å; L222-F224 WeakPolarHBondContact O-CD2 3.38Å; L222-F224 WeakPolarHBondContact O-CE2 3.35Å; L222-F224 PolarHBondContact O-N 3Å | ||
| 223 | A | 40.1 | Very low | 42.8 | Very low | 95 Ų | 95 | 139.3 Ų | 139.3 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -69.8 | 117.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | D221 | D221-A223 VanDerWaalsContact C-N 3.29Å; D221-A223 PolarHBondContact O-N 2.98Å | ||
| 224 | F | 45.4 | Very low | 42.4 | Very low | 145 Ų | 145 | 130.6 Ų | 130.6 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | trans | -94.4 | 119 | 168.3 | -51.1 | -82.5 | 0 | 0 | 0 | 107.1 | L222 | L222-F224 HydrophobicContact CB-CE1 4.3Å; L222-F224 HydrophobicContact CB-CE2 4.13Å; L222-F224 HydrophobicContact CB-CZ 3.83Å; L222-F224 HydrophobicContact CD2-CE1 4.06Å; L222-F224 HydrophobicContact CD2-CZ 4.29Å; L222-F224 WeakPolarHBondContact O-CD2 3.38Å; L222-F224 WeakPolarHBondContact O-CE2 3.35Å; L222-F224 PolarHBondContact O-N 3Å | ||
| 225 | E | 36.8 | Very low | 42.2 | Very low | 185 Ų | 185 | 130.6 Ų | 130.6 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | trans | -86.3 | 115.9 | 166.3 | -163.3 | 176.8 | -164.1 | 0 | 0 | 107.3 | ||||
| 226 | M | 43.7 | Very low | 42 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 60% | 0.596 | 75% | 0.75 | S | S | * | * | trans | -110.4 | 100.1 | 175 | -173.6 | 176.5 | 75.3 | 0 | 0 | 107.9 | I228 | M226-I228 HydrophobicContact CE-CD1 4.03Å; M226-I228 HydrophobicContact CE-CG1 3.98Å; M226-I228 PolarHBondContact O-N 2.83Å | ||
| 227 | T | 40.1 | Very low | 41.7 | Very low | 119 Ų | 119 | 121.8 Ų | 121.8 | 73% | 0.73 | 74% | 0.744 | S | S | * | * | trans | -79.8 | 103.6 | 170.4 | -51.2 | 0 | 0 | 0 | 0 | 107.9 | A229 | T227-A229 PolarHBondContact O-N 3.06Š| ||
| 228 | I | 45.5 | Very low | 41.6 | Very low | 118 Ų | 118 | 122.4 Ų | 122.4 | 61% | 0.605 | 74% | 0.74 | S | S | * | * | trans | -72.7 | 109.6 | 165.1 | -56.7 | 175.2 | 0 | 0 | 0 | 105.1 | M226 S230 | M226-I228 HydrophobicContact CE-CD1 4.03Å; M226-I228 HydrophobicContact CE-CG1 3.98Å; M226-I228 PolarHBondContact O-N 2.83Å; I228-S230 PolarHBondContact O-N 3.28Å | ||
| 229 | A | 40.2 | Very low | 42 | Very low | 84 Ų | 84 | 123.4 Ų | 123.4 | 69% | 0.694 | 74% | 0.744 | S | S | * | * | trans | -58.6 | 105.9 | 170 | 0 | 0 | 0 | 0 | 0 | 107.5 | T227 V231 | T227-A229 PolarHBondContact O-N 3.06Å; A229-V231 PolarHBondContact O-N 3.41Å | ||
| 230 | S | 37 | Very low | 41.9 | Very low | 111 Ų | 111 | 125.3 Ų | 125.3 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | trans | -54.7 | 123.5 | 163.3 | -65.6 | 0 | 0 | 0 | 0 | 106.7 | I228 S232 | I228-S230 PolarHBondContact O-N 3.28Å; S230-S232 PolarHBondContact O-N 3.28Å | ||
| 231 | V | 36.3 | Very low | 41.7 | Very low | 145 Ų | 145 | 120.8 Ų | 120.8 | 88% | 0.879 | 74% | 0.739 | S | S | * | * | trans | -67.9 | 89.4 | 169.8 | -154 | 0 | 0 | 0 | 0 | 105.4 | A229 S233 | A229-V231 PolarHBondContact O-N 3.41Å; V231-S233 PolarHBondContact O-N 3.47Å | ||
| 232 | S | 36.3 | Very low | 41.8 | Very low | 101 Ų | 101 | 117.8 Ų | 117.8 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | trans | -55 | 120.3 | 165.8 | 171.2 | 0 | 0 | 0 | 0 | 106.2 | S230 G234 | S230-S232 PolarHBondContact O-N 3.28Å; S232-G234 PolarHBondContact O-N 3.28Å | ||
| 233 | S | 40.2 | Very low | 42.2 | Very low | 125 Ų | 125 | 118.6 Ų | 118.6 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | trans | -67.9 | 50.1 | 169.6 | 46.8 | 0 | 0 | 0 | 0 | 110.8 | V231 S235 | V231-S233 PolarHBondContact O-N 3.47Å; S233-S235 VanDerWaalsContact C-N 3.34Å; S233-S235 PolarHBondContact O-N 2.97Å | ||
| 234 | G | 36.1 | Very low | 42.6 | Very low | 56 Ų | 56 | 118.8 Ų | 118.8 | 58% | 0.577 | 73% | 0.732 | S | S | * | * | trans | -95.1 | 70.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | S232 P236 | S232-G234 PolarHBondContact O-N 3.28Å; G234-P236 WeakPolarHBondContact O-CD 3.41Å | ||
| 235 | S | 40.5 | Very low | 42.9 | Very low | 107 Ų | 107 | 120.7 Ų | 120.7 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | trans | -60.8 | 123.7 | 169.3 | -168.7 | 0 | 0 | 0 | 0 | 107.4 | S233 S237 | S233-S235 VanDerWaalsContact C-N 3.34Å; S233-S235 PolarHBondContact O-N 2.97Å; S235-S237 PolarHBondContact O-N 3.07Å | ||
| 236 | P | 44.7 | Very low | 43.5 | Very low | 104 Ų | 104 | 121.1 Ų | 121.1 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | trans | -61.8 | 113.4 | 171.2 | 24.7 | -29.4 | 0 | 0 | 0 | 106.8 | G234 M238 | G234-P236 WeakPolarHBondContact O-CD 3.41Å; P236-M238 PolarHBondContact O-N 2.7Å | ||
| 237 | S | 37 | Very low | 43.7 | Very low | 115 Ų | 115 | 121 Ų | 121 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | -60 | 91.4 | 171 | 63.5 | 0 | 0 | 0 | 0 | 107.8 | S235 | S235-S237 PolarHBondContact O-N 3.07Š| ||
| 238 | M | 49.5 | Very low | 44.4 | Very low | 152 Ų | 152 | 124.8 Ų | 124.8 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | trans | -65.5 | 128.7 | 161.3 | -72.6 | -67.4 | -67.2 | 0 | 0 | 106.1 | P236 I240 | P236-M238 PolarHBondContact O-N 2.7Å; M238-I240 PolarHBondContact O-N 3.09Å | ||
| 239 | P | 48.2 | Very low | 44.6 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | trans | -56.7 | 118.8 | 176.9 | 23 | -31.3 | 0 | 0 | 0 | 108 | A241 | P239-A241 PolarHBondContact O-N 3.25Š| ||
| 240 | I | 44 | Very low | 45.2 | Very low | 156 Ų | 156 | 125.1 Ų | 125.1 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | trans | -60.2 | 108.5 | 169.7 | -66 | 167.3 | 0 | 0 | 0 | 105.1 | M238 A242 | M238-I240 PolarHBondContact O-N 3.09Å; I240-A242 PolarHBondContact O-N 3.39Å | ||
| 241 | A | 46.3 | Very low | 46.1 | Very low | 83 Ų | 83 | 124.6 Ų | 124.6 | 69% | 0.686 | 77% | 0.765 | S | S | * | * | trans | -56.9 | 124.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | P239 M243 | P239-A241 PolarHBondContact O-N 3.25Å; A241-M243 PolarHBondContact O-N 3.41Å; A241-M243 VanDerWaalsContact O-N 3.09Å | ||
| 242 | A | 46.3 | Very low | 47.1 | Very low | 96 Ų | 96 | 124.9 Ų | 124.9 | 79% | 0.793 | 76% | 0.76 | S | S | * | * | trans | -44.7 | 116.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110 | I240 | I240-A242 PolarHBondContact O-N 3.39Š| ||
| 243 | M | 51.3 | Low | 48 | Very low | 156 Ų | 156 | 125.1 Ų | 125.1 | 77% | 0.768 | 76% | 0.759 | S | S | * | * | trans | -63.4 | 129 | 172.3 | -69.8 | -87.2 | 81.5 | 0 | 0 | 107.6 | A241 E245 | A241-M243 PolarHBondContact O-N 3.41Å; A241-M243 VanDerWaalsContact O-N 3.09Å; M243-E245 PolarHBondContact O-N 3.07Å; M243-E245 VanDerWaalsContact O-N 3.1Å | ||
| 244 | P | 49.8 | Very low | 48.7 | Very low | 100 Ų | 100 | 128.4 Ų | 128.4 | 65% | 0.649 | 76% | 0.761 | S | S | * | * | trans | -63.6 | 115.7 | 172.5 | 25.1 | -29.9 | 0 | 0 | 0 | 108.1 | ||||
| 245 | E | 51.9 | Low | 49.1 | Very low | 185 Ų | 185 | 129.5 Ų | 129.5 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -55.6 | 148.5 | 162.7 | -70.2 | -168.8 | 145.3 | 0 | 0 | 108.8 | M243 | M243-E245 PolarHBondContact O-N 3.07Å; M243-E245 VanDerWaalsContact O-N 3.1Å |
| 246 | E | 48.4 | Very low | 50.1 | Low | 193 Ų | 193 | 129.3 Ų | 129.3 | 90% | 0.902 | 76% | 0.755 | S | S | * | * | trans | 85.2 | 50 | -178.2 | -48.2 | -168.4 | -178.1 | 0 | 0 | 117.7 | ||||
| 247 | V | 47.5 | Very low | 50.5 | Low | 120 Ų | 120 | 132.1 Ų | 132.1 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -96.5 | 100.5 | 148.2 | -172.6 | 0 | 0 | 0 | 0 | 107.6 | S249 | V247-S249 PolarHBondContact O-N 2.79Š| ||
| 248 | K | 56.3 | Low | 51.2 | Low | 197 Ų | 197 | 133.2 Ų | 133.2 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | trans | -39.9 | 105.6 | 159.6 | -95.5 | 170 | 175.3 | 165.3 | 0 | 107.6 | P250 | K248-P250 WeakPolarHBondContact O-CD 3.45Å; K248-P250 VanDerWaalsContact O-N 3.09Å | ||
| 249 | S | 49.6 | Very low | 51.6 | Low | 105 Ų | 105 | 134.6 Ų | 134.6 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | -50.8 | 117.5 | 177.8 | 43.3 | 0 | 0 | 0 | 0 | 108.1 | V247 A251 | V247-S249 PolarHBondContact O-N 2.79Å; S249-A251 PolarHBondContact O-N 2.81Å | ||
| 250 | P | 52.8 | Low | 52.1 | Low | 105 Ų | 105 | 139.8 Ų | 139.8 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | trans | -60.2 | 120.4 | 173.6 | 23.7 | -29.9 | 0 | 0 | 0 | 106.5 | K248 L252 | K248-P250 WeakPolarHBondContact O-CD 3.45Å; K248-P250 VanDerWaalsContact O-N 3.09Å; P250-L252 PolarHBondContact O-N 2.84Å | ||
| 251 | A | 54.1 | Low | 52.8 | Low | 100 Ų | 100 | 138.5 Ų | 138.5 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | trans | -57.5 | 103.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | S249 | S249-A251 PolarHBondContact O-N 2.81Š| ||
| 252 | L | 57.7 | Low | 53.6 | Low | 150 Ų | 150 | 144.9 Ų | 144.9 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -59.4 | 133.2 | 174.1 | -75.9 | 166.7 | 0 | 0 | 0 | 107.6 | P250 Q254 | P250-L252 PolarHBondContact O-N 2.84Å; L252-Q254 PolarHBondContact O-N 2.64Å | ||
| 253 | P | 55.8 | Low | 54.6 | Low | 106 Ų | 106 | 152.1 Ų | 152.1 | 69% | 0.688 | 78% | 0.776 | S | S | * | * | trans | -57.7 | 119.6 | 178.5 | 22.4 | -31.3 | 0 | 0 | 0 | 108.8 | T255 | P253-T255 VanDerWaalsContact C-N 3.34Å; P253-T255 PolarHBondContact O-N 2.81Å | ||
| 254 | Q | 55.7 | Low | 55.7 | Low | 194 Ų | 194 | 146 Ų | 146 | 91% | 0.907 | 75% | 0.754 | S | S | * | * | trans | -62.8 | 97 | 171.6 | -74.6 | -170.3 | -23.4 | 0 | 0 | 108.2 | L252 S256 | L252-Q254 PolarHBondContact O-N 2.64Å; Q254-S256 PolarHBondContact O-N 3.48Å; Q254-S256 VanDerWaalsContact O-N 3.11Å | ||
| 255 | T | 43.9 | Very low | 57.5 | Low | 80 Ų | 80 | 144.8 Ų | 144.8 | 49% | 0.491 | 75% | 0.747 | S | S | . | * | trans | -79.3 | 96.2 | 175.4 | 54.4 | 0 | 0 | 0 | 0 | 108.6 | P253 H257 L258 | P253-T255 VanDerWaalsContact C-N 3.34Å; P253-T255 PolarHBondContact O-N 2.81Å; T255-H257 PolarHBondContact O-N 2.69Å; T255-L258 PolarHBondContact O-N 3.23Å; T255-L258 WeakPolarHBondContact OG1-CD1 3.44Å; T255-L258 WeakPolarHBondContact OG1-CG 3.22Å | ||
| 256 | S | 60.5 | Low | 59.3 | Low | 103 Ų | 103 | 137.6 Ų | 137.6 | 72% | 0.72 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | 0.4 | 171.6 | 58.8 | 0 | 0 | 0 | 0 | 113.7 | Q254 | Q254-S256 PolarHBondContact O-N 3.48Å; Q254-S256 VanDerWaalsContact O-N 3.11Å |
| 257 | H | 52.8 | Low | 61.4 | Low | 162 Ų | 162 | 132 Ų | 132 | 75% | 0.75 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | 6.5 | -177 | -46.8 | -53.5 | 0 | 0 | 0 | 113.9 | T255 K259 | T255-H257 PolarHBondContact O-N 2.69Å; H257-K259 VanDerWaalsContact C-N 3.27Å; H257-K259 PolarHBondContact O-N 2.87Å |
| 258 | L | 51.9 | Low | 63.5 | Low | 139 Ų | 139 | 132.6 Ų | 132.6 | 73% | 0.728 | 68% | 0.68 | S | S | * | * | trans | -64.4 | 95.2 | 168.8 | -89 | 159.6 | 0 | 0 | 0 | 108.1 | T255 R260 | T255-L258 PolarHBondContact O-N 3.23Å; T255-L258 WeakPolarHBondContact OG1-CD1 3.44Å; T255-L258 WeakPolarHBondContact OG1-CG 3.22Å; L258-R260 PolarHBondContact O-N 3.21Å | ||
| 259 | K | 59.2 | Low | 65.1 | Low | 180 Ų | 180 | 127 Ų | 127 | 78% | 0.783 | 66% | 0.66 | S | S | * | * | trans | -38.6 | 124.7 | 172.3 | -67.9 | -179.6 | 177.6 | -179.4 | 0 | 107.7 | H257 | H257-K259 VanDerWaalsContact C-N 3.27Å; H257-K259 PolarHBondContact O-N 2.87Å | ||
| 260 | R | 57.9 | Low | 67.3 | Low | 226 Ų | 226 | 124 Ų | 124 | 85% | 0.853 | 63% | 0.632 | S | S | * | * | trans | -23.4 | 137.1 | 176.4 | -65.9 | 175.1 | 177.8 | 143.2 | -1.3 | 111.4 | L258 R262 | L258-R260 PolarHBondContact O-N 3.21Å; R260-R262 PolarHBondContact O-N 3.4Å | ||
| 261 | P | 59.2 | Low | 69.3 | Low | 128 Ų | 128 | 120.6 Ų | 120.6 | 83% | 0.831 | 61% | 0.607 | S | S | * | * | trans | -45.7 | 112.3 | 178.8 | 18.2 | -29.9 | 0 | 0 | 0 | 108 | R263 | P261-R263 PolarHBondContact O-N 2.97Š| ||
| 262 | R | 62.1 | Low | 71.1 | Confident | 217 Ų | 217 | 119.1 Ų | 119.1 | 82% | 0.819 | 59% | 0.585 | S | S | * | * | trans | -56.9 | 120.5 | 178.8 | -72.5 | -171 | 175.3 | -152.5 | 0.1 | 104.3 | R260 G264 | R260-R262 PolarHBondContact O-N 3.4Å; R262-G264 PolarHBondContact O-N 3.47Å | ||
| 263 | R | 68.6 | Low | 72.7 | Confident | 248 Ų | 248 | 115.7 Ų | 115.7 | 94% | 0.936 | 57% | 0.574 | S | S | * | * | trans | -47.1 | 115.5 | 174.2 | -72 | -161.8 | 177.8 | -158.5 | 1.8 | 106.2 | P261 | P261-R263 PolarHBondContact O-N 2.97Š| ||
| 264 | G | 74.1 | Confident | 74.6 | Confident | 29 Ų | 29 | 112.7 Ų | 112.7 | 30% | 0.299 | 55% | 0.551 | S | S | . | * | trans | -54.9 | 150.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | R262 | R262-G264 PolarHBondContact O-N 3.47Š| ||
| 265 | S | 87.3 | Confident | 76.4 | Confident | 73 Ų | 73 | 104.6 Ų | 104.6 | 51% | 0.51 | 52% | 0.515 | S | S | . | . | trans | -57.4 | 152.5 | 165 | 58.7 | 0 | 0 | 0 | 0 | 108.6 | Y267 R268 N269 | S265-Y267 PolarHBondContact O-N 2.95Å; S265-Y267 VanDerWaalsContact O-N 3.11Å; S265-R268 WeakPolarHBondContact O-CA 3.47Å; S265-R268 WeakPolarHBondContact O-CB 3.25Å; S265-R268 PolarHBondContact O-N 2.94Å; S265-R268 PolarHBondContact OG-N 2.98Å; S265-N269 PolarHBondContact O-N 3.32Å; S265-N269 VanDerWaalsContact O-N 3.1Å | ||
| 266 | A | 90.3 | Very high | 78.7 | Confident | 35 Ų | 35 | 103.3 Ų | 103.3 | 29% | 0.289 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -52.1 | -36.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R268 N269 W270 W299 K307 | A266-R268 VanDerWaalsContact C-N 3.33Å; A266-R268 PolarHBondContact O-N 2.99Å; A266-N269 PolarHBondContact O-N 3.39Å; A266-W270 WeakPolarHBondContact O-CB 3.4Å; A266-W270 PolarHBondContact O-N 2.97Å; A266-W299 VanDerWaalsContact C-CH2 3.5Å; A266-W299 HydrophobicContact CB-CH2 3.78Å; A266-W299 HydrophobicContact CB-CZ2 4.44Å; A266-K307 WeakPolarHBondContact CB-O 3.17Å |
| 267 | Y | 93.1 | Very high | 80.3 | Confident | 74 Ų | 74 | 102.9 Ų | 102.9 | 29% | 0.29 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.7 | -43 | 171.4 | 177 | -111.3 | 0 | 0 | 0 | 113.2 | S265 W270 F271 W299 | S265-Y267 PolarHBondContact O-N 2.95Å; S265-Y267 VanDerWaalsContact O-N 3.11Å; Y267-W270 HydrophobicContact CD2-CE3 4.11Å; Y267-W270 HydrophobicContact CD2-CZ3 4.45Å; Y267-W270 HydrophobicContact CE2-CE3 4.1Å; Y267-W270 AromaticContact CE2-CZ3 4Å; Y267-W270 HydrophobicContact CE2-CZ3 4Å; Y267-F271 HydrophobicContact CE1-CD2 4.44Å; Y267-F271 AromaticContact CZ-CD2 3.99Å; Y267-F271 WeakPolarHBondContact O-CB 3.43Å; Y267-F271 PolarHBondContact O-N 3.22Å; Y267-W299 HydrophobicContact CD2-CB 3.73Å; Y267-W299 AromaticContact CD2-CD1 3.65Å; Y267-W299 AromaticContact CD2-CD2 3.46Å; Y267-W299 HydrophobicContact CD2-CD2 3.46Å; Y267-W299 VanDerWaalsContact CD2-CD2 3.46Å; Y267-W299 AromaticContact CD2-CE2 3.86Å; Y267-W299 AromaticContact CD2-CE3 3.95Å; Y267-W299 HydrophobicContact CD2-CE3 3.95Å; Y267-W299 AromaticContact CD2-CG 3.34Å; Y267-W299 HydrophobicContact CD2-CG 3.34Å; Y267-W299 AromaticContact CD2-NE1 3.94Å; Y267-W299 HydrophobicContact CE2-CB 3.62Å; Y267-W299 HydrophobicContact CE2-CD2 4.3Å; Y267-W299 AromaticContact CE2-CG 3.75Å; Y267-W299 HydrophobicContact CE2-CG 3.75Å; Y267-W299 HydrophobicContact CG-CD2 4.34Å; Y267-W299 HydrophobicContact CG-CG 4.46Å |
| 268 | R | 91.1 | Very high | 82.3 | Confident | 133 Ų | 133 | 95.9 Ų | 95.9 | 50% | 0.502 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.7 | -43.9 | -179.2 | -176.1 | 62.9 | -169.7 | -151.3 | 8.1 | 111.5 | S265 A266 F271 D272 | S265-R268 WeakPolarHBondContact O-CA 3.47Å; S265-R268 WeakPolarHBondContact O-CB 3.25Å; S265-R268 PolarHBondContact O-N 2.94Å; S265-R268 PolarHBondContact OG-N 2.98Å; A266-R268 VanDerWaalsContact C-N 3.33Å; A266-R268 PolarHBondContact O-N 2.99Å; R268-F271 PolarHBondContact O-N 3.1Å; R268-D272 IonicContact CZ-OD1 3.18Å; R268-D272 IonicContact CZ-OD2 3.87Å; R268-D272 IonicContact NE-OD1 3.86Å; R268-D272 PolarHBondContact NE-OD1 3.28Å; R268-D272 VanDerWaalsContact NE-OD1 3.08Å; R268-D272 IonicContact NE-OD2 3.41Å; R268-D272 PolarHBondContact NE-OD2 2.93Å; R268-D272 IonicContact NH2-OD1 3.08Å; R268-D272 PolarHBondContact NH2-OD1 3.3Å; R268-D272 IonicContact NH2-OD2 3.01Å; R268-D272 PolarHBondContact O-N 3.06Å |
| 269 | N | 90.4 | Very high | 84.3 | Confident | 80 Ų | 80 | 95.4 Ų | 95.4 | 43% | 0.428 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 177.7 | -63.1 | -14.2 | 0 | 0 | 0 | 111.1 | S265 A266 S273 | S265-N269 PolarHBondContact O-N 3.32Å; S265-N269 VanDerWaalsContact O-N 3.1Å; A266-N269 PolarHBondContact O-N 3.39Å; N269-S273 WeakPolarHBondContact O-CB 3.3Å; N269-S273 PolarHBondContact O-N 3.39Å; N269-S273 PolarHBondContact O-OG 3.47Å |
| 270 | W | 94.5 | Very high | 86 | Confident | 41 Ų | 41 | 93 Ų | 93 | 16% | 0.155 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 173.8 | 173 | 80 | 0 | 0 | 0 | 111.7 | A266 Y267 D272 S273 E274 M295 W299 L302 | A266-W270 WeakPolarHBondContact O-CB 3.4Å; A266-W270 PolarHBondContact O-N 2.97Å; Y267-W270 HydrophobicContact CD2-CE3 4.11Å; Y267-W270 HydrophobicContact CD2-CZ3 4.45Å; Y267-W270 HydrophobicContact CE2-CE3 4.1Å; Y267-W270 AromaticContact CE2-CZ3 4Å; Y267-W270 HydrophobicContact CE2-CZ3 4Å; W270-D272 PolarHBondContact O-N 3.07Å; W270-S273 PolarHBondContact O-N 2.81Å; W270-E274 HydrophobicContact CD2-CB 4.49Å; W270-E274 HydrophobicContact CH2-CG 4.18Å; W270-E274 HydrophobicContact CZ2-CB 4.15Å; W270-E274 HydrophobicContact CZ2-CG 3.86Å; W270-E274 VanDerWaalsContact O-CB 3.23Å; W270-E274 WeakPolarHBondContact O-CB 3.4Å; W270-E274 PolarHBondContact O-N 3.41Å; W270-M295 HydrophobicContact CH2-CE 4.28Å; W270-M295 WeakPolarHBondContact CH2-O 3.42Å; W270-M295 HydrophobicContact CZ3-CB 4.44Å; W270-M295 HydrophobicContact CZ3-CE 4.19Å; W270-M295 WeakPolarHBondContact CZ3-O 3.48Å; W270-W299 HydrophobicContact CB-CE3 3.83Å; W270-W299 HydrophobicContact CB-CZ3 3.49Å; W270-W299 VanDerWaalsContact CB-CZ3 3.49Å; W270-W299 AromaticContact CD2-CE3 3.59Å; W270-W299 HydrophobicContact CD2-CE3 3.59Å; W270-W299 HydrophobicContact CD2-CZ3 4.2Å; W270-W299 HydrophobicContact CE3-CB 3.97Å; W270-W299 HydrophobicContact CE3-CD2 4.34Å; W270-W299 AromaticContact CE3-CE3 3.64Å; W270-W299 HydrophobicContact CE3-CE3 3.64Å; W270-W299 HydrophobicContact CE3-CZ3 4.5Å; W270-W299 AromaticContact CG-CE3 3.65Å; W270-W299 HydrophobicContact CG-CE3 3.65Å; W270-W299 AromaticContact CG-CZ3 3.74Å; W270-W299 HydrophobicContact CG-CZ3 3.74Å; W270-W299 HydrophobicContact CH2-CB 4.12Å; W270-W299 VanDerWaalsContact CH2-N 3.26Å; W270-W299 HydrophobicContact CZ3-CB 3.68Å; W270-L302 HydrophobicContact CD2-CD1 4.06Å; W270-L302 HydrophobicContact CG-CD1 3.98Å; W270-L302 HydrophobicContact CZ2-CD1 4.44Å |
| 271 | F | 94.3 | Very high | 87.8 | Confident | 35 Ų | 35 | 87.9 Ų | 87.9 | 15% | 0.154 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -60 | -47.2 | -179.5 | -177.9 | -82.4 | 0 | 0 | 0 | 111.5 | Y267 R268 E274 C275 F291 M295 | Y267-F271 HydrophobicContact CE1-CD2 4.44Å; Y267-F271 AromaticContact CZ-CD2 3.99Å; Y267-F271 WeakPolarHBondContact O-CB 3.43Å; Y267-F271 PolarHBondContact O-N 3.22Å; R268-F271 PolarHBondContact O-N 3.1Å; F271-E274 PolarHBondContact O-N 2.89Å; F271-C275 WeakPolarHBondContact CE1-SG 3.23Å; F271-C275 WeakPolarHBondContact O-CB 3.45Å; F271-C275 PolarHBondContact O-N 2.82Å; F271-C275 PolarHBondContact O-SG 3.36Å; F271-F291 AromaticContact CZ-CE1 3.97Å; F271-F291 HydrophobicContact CZ-CE1 3.97Å; F271-M295 HydrophobicContact CB-CE 4.5Å; F271-M295 HydrophobicContact CD2-CB 3.78Å; F271-M295 HydrophobicContact CD2-CE 3.66Å; F271-M295 HydrophobicContact CD2-CG 4.15Å; F271-M295 HydrophobicContact CE2-CB 3.51Å; F271-M295 HydrophobicContact CE2-CE 3.92Å; F271-M295 HydrophobicContact CE2-CG 3.65Å; F271-M295 HydrophobicContact CG-CE 4Å; F271-M295 HydrophobicContact CZ-CE 4.46Å; F271-M295 HydrophobicContact CZ-CG 4.35Å; F271-M295 WeakPolarHBondContact O-CE 3.24Å |
| 272 | D | 92.5 | Very high | 89.2 | Confident | 68 Ų | 68 | 84 Ų | 84 | 36% | 0.364 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 179.4 | -65.9 | -27.5 | 0 | 0 | 0 | 110.8 | R268 W270 C275 A276 | R268-D272 IonicContact CZ-OD1 3.18Å; R268-D272 IonicContact CZ-OD2 3.87Å; R268-D272 IonicContact NE-OD1 3.86Å; R268-D272 PolarHBondContact NE-OD1 3.28Å; R268-D272 VanDerWaalsContact NE-OD1 3.08Å; R268-D272 IonicContact NE-OD2 3.41Å; R268-D272 PolarHBondContact NE-OD2 2.93Å; R268-D272 IonicContact NH2-OD1 3.08Å; R268-D272 PolarHBondContact NH2-OD1 3.3Å; R268-D272 IonicContact NH2-OD2 3.01Å; R268-D272 PolarHBondContact O-N 3.06Å; W270-D272 PolarHBondContact O-N 3.07Å; D272-C275 PolarHBondContact O-N 3.4Å; D272-A276 PolarHBondContact O-N 3.27Å |
| 273 | S | 92.2 | Very high | 90.6 | Very high | 79 Ų | 79 | 77.1 Ų | 77.1 | 55% | 0.552 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.6 | -42.8 | 175.5 | -55.9 | 0 | 0 | 0 | 0 | 112.4 | N269 W270 A276 R277 | N269-S273 WeakPolarHBondContact O-CB 3.3Å; N269-S273 PolarHBondContact O-N 3.39Å; N269-S273 PolarHBondContact O-OG 3.47Å; W270-S273 PolarHBondContact O-N 2.81Å; S273-A276 PolarHBondContact O-N 3.11Å; S273-R277 PolarHBondContact O-N 3.05Å |
| 274 | E | 94.5 | Very high | 91.7 | Very high | 43 Ų | 43 | 73.2 Ų | 73.2 | 20% | 0.201 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -71.2 | -32.9 | 179.4 | -176.3 | 67.5 | -173.4 | 0 | 0 | 111.3 | W270 F271 R277 L278 M295 | W270-E274 HydrophobicContact CD2-CB 4.49Å; W270-E274 HydrophobicContact CH2-CG 4.18Å; W270-E274 HydrophobicContact CZ2-CB 4.15Å; W270-E274 HydrophobicContact CZ2-CG 3.86Å; W270-E274 VanDerWaalsContact O-CB 3.23Å; W270-E274 WeakPolarHBondContact O-CB 3.4Å; W270-E274 PolarHBondContact O-N 3.41Å; F271-E274 PolarHBondContact O-N 2.89Å; E274-R277 PolarHBondContact O-N 2.89Å; E274-R277 IonicContact OE1-CZ 2.64Å; E274-R277 IonicContact OE1-NE 3.77Å; E274-R277 PolarHBondContact OE1-NE 3.07Å; E274-R277 IonicContact OE1-NH2 2.81Å; E274-R277 PolarHBondContact OE1-NH2 3.03Å; E274-R277 IonicContact OE2-CZ 3.87Å; E274-R277 IonicContact OE2-NE 3.45Å; E274-R277 PolarHBondContact OE2-NE 3.2Å; E274-R277 IonicContact OE2-NH2 3.93Å; E274-L278 HydrophobicContact CG-CD1 4.33Å; E274-L278 WeakPolarHBondContact O-CB 3.43Å; E274-L278 VanDerWaalsContact O-CG 3.25Å; E274-L278 WeakPolarHBondContact O-CG 3.31Å; E274-L278 PolarHBondContact O-N 3.1Å; E274-M295 HydrophobicContact CB-CE 3.55Å; E274-M295 HydrophobicContact CB-SD 4.49Å; E274-M295 HydrophobicContact CG-CE 3.51Å; E274-M295 HydrophobicContact CG-SD 3.79Å |
| 275 | C | 93.2 | Very high | 92.4 | Very high | 24 Ų | 24 | 75 Ų | 75 | 16% | 0.162 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64 | -46.5 | 170.4 | -69.4 | 0 | 0 | 0 | 0 | 111.6 | F271 D272 R277 L278 E279 F291 | F271-C275 WeakPolarHBondContact CE1-SG 3.23Å; F271-C275 WeakPolarHBondContact O-CB 3.45Å; F271-C275 PolarHBondContact O-N 2.82Å; F271-C275 PolarHBondContact O-SG 3.36Å; D272-C275 PolarHBondContact O-N 3.4Å; C275-R277 VanDerWaalsContact C-N 3.29Å; C275-R277 PolarHBondContact O-N 2.95Å; C275-L278 PolarHBondContact O-N 3.01Å; C275-E279 WeakPolarHBondContact O-CB 3.43Å; C275-E279 PolarHBondContact O-N 3.14Å; C275-F291 VanDerWaalsContact SG-CZ 3.59Å |
| 276 | A | 93.7 | Very high | 92.5 | Very high | 53 Ų | 53 | 74 Ų | 74 | 44% | 0.438 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.6 | -38.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | D272 S273 | D272-A276 PolarHBondContact O-N 3.27Å; S273-A276 PolarHBondContact O-N 3.11Å |
| 277 | R | 94.6 | Very high | 92.4 | Very high | 94 Ų | 94 | 79.2 Ų | 79.2 | 36% | 0.355 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.9 | -46.9 | 174 | -167.3 | -172.2 | 70.7 | 71.8 | 5.3 | 111.7 | S273 E274 C275 E279 V280 E281 | S273-R277 PolarHBondContact O-N 3.05Å; E274-R277 PolarHBondContact O-N 2.89Å; E274-R277 IonicContact OE1-CZ 2.64Å; E274-R277 IonicContact OE1-NE 3.77Å; E274-R277 PolarHBondContact OE1-NE 3.07Å; E274-R277 IonicContact OE1-NH2 2.81Å; E274-R277 PolarHBondContact OE1-NH2 3.03Å; E274-R277 IonicContact OE2-CZ 3.87Å; E274-R277 IonicContact OE2-NE 3.45Å; E274-R277 PolarHBondContact OE2-NE 3.2Å; E274-R277 IonicContact OE2-NH2 3.93Å; C275-R277 VanDerWaalsContact C-N 3.29Å; C275-R277 PolarHBondContact O-N 2.95Å; R277-E279 VanDerWaalsContact C-N 3.34Å; R277-E279 PolarHBondContact O-N 2.85Å; R277-V280 PolarHBondContact O-N 3.3Å; R277-E281 WeakPolarHBondContact CG-OE1 3.28Å; R277-E281 IonicContact CZ-OE1 3.39Å; R277-E281 IonicContact CZ-OE2 3.23Å; R277-E281 IonicContact NH1-OE1 3.89Å; R277-E281 PolarHBondContact NH1-OE1 3.33Å; R277-E281 IonicContact NH1-OE2 2.93Å; R277-E281 PolarHBondContact NH1-OE2 2.98Å; R277-E281 PolarHBondContact O-N 3.5Å |
| 278 | L | 94.5 | Very high | 92.2 | Very high | 15 Ų | 15 | 77.8 Ų | 77.8 | 8% | 0.079 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -69.6 | -28.9 | -179.7 | -72.1 | 175.5 | 0 | 0 | 0 | 113.2 | E274 C275 V280 S282 L285 L286 F291 M295 | E274-L278 HydrophobicContact CG-CD1 4.33Å; E274-L278 WeakPolarHBondContact O-CB 3.43Å; E274-L278 VanDerWaalsContact O-CG 3.25Å; E274-L278 WeakPolarHBondContact O-CG 3.31Å; E274-L278 PolarHBondContact O-N 3.1Å; C275-L278 PolarHBondContact O-N 3.01Å; L278-V280 PolarHBondContact O-N 3.27Å; L278-S282 CarbonylContact O-C 2.94Å; L278-S282 WeakPolarHBondContact O-CA 3.49Å; L278-S282 PolarHBondContact O-N 3.21Å; L278-L285 HydrophobicContact CD2-CD1 4.03Å; L278-L286 HydrophobicContact CB-CD2 4.19Å; L278-F291 HydrophobicContact CD1-CE2 3.74Å; L278-F291 HydrophobicContact CD1-CZ 4.35Å; L278-M295 HydrophobicContact CD1-SD 3.95Å |
| 279 | E | 93.8 | Very high | 92.1 | Very high | 129 Ų | 129 | 77.6 Ų | 77.6 | 60% | 0.603 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.7 | -35.9 | 173.8 | -167.4 | 168.6 | -167.8 | 0 | 0 | 111.9 | C275 R277 L286 | C275-E279 WeakPolarHBondContact O-CB 3.43Å; C275-E279 PolarHBondContact O-N 3.14Å; R277-E279 VanDerWaalsContact C-N 3.34Å; R277-E279 PolarHBondContact O-N 2.85Å; E279-L286 HydrophobicContact CB-CD1 3.87Å; E279-L286 HydrophobicContact CG-CD1 4.03Å |
| 280 | V | 94.5 | Very high | 92.1 | Very high | 128 Ų | 128 | 79 Ų | 79 | 78% | 0.776 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -80.5 | -45.7 | 177.7 | 179.6 | 0 | 0 | 0 | 0 | 111.8 | R277 L278 | R277-V280 PolarHBondContact O-N 3.3Å; L278-V280 PolarHBondContact O-N 3.27Å |
| 281 | E | 94.5 | Very high | 92 | Very high | 120 Ų | 120 | 78.2 Ų | 78.2 | 56% | 0.561 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -84.9 | -35 | -172.8 | -71.2 | -179.5 | -150.4 | 0 | 0 | 114.2 | R277 | R277-E281 WeakPolarHBondContact CG-OE1 3.28Å; R277-E281 IonicContact CZ-OE1 3.39Å; R277-E281 IonicContact CZ-OE2 3.23Å; R277-E281 IonicContact NH1-OE1 3.89Å; R277-E281 PolarHBondContact NH1-OE1 3.33Å; R277-E281 IonicContact NH1-OE2 2.93Å; R277-E281 PolarHBondContact NH1-OE2 2.98Å; R277-E281 PolarHBondContact O-N 3.5Å |
| 282 | S | 90.5 | Very high | 91.9 | Very high | 47 Ų | 47 | 80.7 Ų | 80.7 | 33% | 0.329 | 45% | 0.45 | S | S | . | . | trans | -158.6 | 68.2 | -168.8 | -69.1 | 0 | 0 | 0 | 0 | 111.4 | L278 E284 L285 | L278-S282 CarbonylContact O-C 2.94Å; L278-S282 WeakPolarHBondContact O-CA 3.49Å; L278-S282 PolarHBondContact O-N 3.21Å; S282-E284 PolarHBondContact O-N 3.23Å; S282-L285 WeakPolarHBondContact O-CB 3.38Å; S282-L285 PolarHBondContact O-N 3.19Å | ||
| 283 | P | 91.4 | Very high | 91.9 | Very high | 71 Ų | 71 | 80.3 Ų | 80.3 | 46% | 0.461 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -60.9 | -22.6 | -175.7 | 23.7 | -34.5 | 0 | 0 | 0 | 113.4 | L285 L286 | P283-L285 PolarHBondContact O-N 2.96Å; P283-L286 PolarHBondContact O-N 2.78Å |
| 284 | E | 90.3 | Very high | 91.9 | Very high | 167 Ų | 167 | 81.2 Ų | 81.2 | 78% | 0.78 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -60.7 | -29.7 | 174.7 | -59.1 | -174.5 | -179.2 | 0 | 0 | 112.7 | S282 L286 N287 | S282-E284 PolarHBondContact O-N 3.23Å; E284-L286 VanDerWaalsContact C-N 3.33Å; E284-L286 PolarHBondContact O-N 3.46Å; E284-N287 PolarHBondContact O-N 3.34Å |
| 285 | L | 88.7 | Confident | 92 | Very high | 67 Ų | 67 | 79.5 Ų | 79.5 | 35% | 0.351 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -69.7 | -31 | -178.9 | -68.1 | 177.9 | 0 | 0 | 0 | 112.5 | L278 S282 P283 N287 T288 F291 | L278-L285 HydrophobicContact CD2-CD1 4.03Å; S282-L285 WeakPolarHBondContact O-CB 3.38Å; S282-L285 PolarHBondContact O-N 3.19Å; P283-L285 PolarHBondContact O-N 2.96Å; L285-N287 PolarHBondContact O-N 3.09Å; L285-T288 HydrophobicContact CD2-CG2 4.24Å; L285-T288 WeakPolarHBondContact O-CB 3.36Å; L285-T288 PolarHBondContact O-N 3.33Å; L285-T288 VanDerWaalsContact O-N 3.09Å; L285-T288 PolarHBondContact O-OG1 2.92Å; L285-F291 VanDerWaalsContact O-CD2 3.22Å; L285-F291 WeakPolarHBondContact O-CD2 3.45Å |
| 286 | L | 89.7 | Confident | 92 | Very high | 52 Ų | 52 | 80 Ų | 80 | 27% | 0.272 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -61.8 | -29.6 | 179.1 | -62 | 177.6 | 0 | 0 | 0 | 112 | L278 E279 P283 E284 F291 | L278-L286 HydrophobicContact CB-CD2 4.19Å; E279-L286 HydrophobicContact CB-CD1 3.87Å; E279-L286 HydrophobicContact CG-CD1 4.03Å; P283-L286 PolarHBondContact O-N 2.78Å; E284-L286 VanDerWaalsContact C-N 3.33Å; E284-L286 PolarHBondContact O-N 3.46Å; L286-F291 HydrophobicContact CD2-CE1 4.15Å; L286-F291 HydrophobicContact CD2-CE2 3.74Å; L286-F291 HydrophobicContact CD2-CZ 3.49Å; L286-F291 VanDerWaalsContact CD2-CZ 3.49Å |
| 287 | N | 88.6 | Confident | 92 | Very high | 144 Ų | 144 | 79.4 Ų | 79.4 | 77% | 0.77 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -93.6 | 4.4 | -179.8 | -66.8 | -51.1 | 0 | 0 | 0 | 113.4 | E284 L285 | E284-N287 PolarHBondContact O-N 3.34Å; L285-N287 PolarHBondContact O-N 3.09Å |
| 288 | T | 88.3 | Confident | 92 | Very high | 43 Ų | 43 | 76 Ų | 76 | 26% | 0.264 | 44% | 0.439 | S | S | . | . | trans | -71.2 | 137 | 178.7 | 58.5 | 0 | 0 | 0 | 0 | 110.7 | L285 N290 F291 | L285-T288 HydrophobicContact CD2-CG2 4.24Å; L285-T288 WeakPolarHBondContact O-CB 3.36Å; L285-T288 PolarHBondContact O-N 3.33Å; L285-T288 VanDerWaalsContact O-N 3.09Å; L285-T288 PolarHBondContact O-OG1 2.92Å; T288-N290 PolarHBondContact O-N 2.82Å; T288-F291 VanDerWaalsContact O-CB 3.3Å; T288-F291 WeakPolarHBondContact O-CB 3.34Å; T288-F291 PolarHBondContact O-N 3.08Å; T288-F291 PolarHBondContact OG1-N 2.91Å | ||
| 289 | P | 89.9 | Confident | 92.1 | Very high | 129 Ų | 129 | 77.7 Ų | 77.7 | 84% | 0.838 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -16.5 | -179.5 | 22.6 | -32.9 | 0 | 0 | 0 | 113.4 | ||
| 290 | N | 89.6 | Confident | 92.1 | Very high | 110 Ų | 110 | 79.5 Ų | 79.5 | 59% | 0.588 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | 14.5 | 177.9 | -68.8 | -42.6 | 0 | 0 | 0 | 113.5 | T288 C292 A293 L294 | T288-N290 PolarHBondContact O-N 2.82Å; N290-C292 PolarHBondContact O-N 3.25Å; N290-A293 WeakPolarHBondContact O-CA 3.36Å; N290-A293 WeakPolarHBondContact O-CB 3.09Å; N290-A293 PolarHBondContact O-N 3.01Å; N290-L294 PolarHBondContact O-N 3.18Å |
| 291 | F | 93.5 | Very high | 92.1 | Very high | 24 Ų | 24 | 83 Ų | 83 | 11% | 0.105 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -52.7 | -50.7 | -177 | 178.8 | -112.4 | 0 | 0 | 0 | 112.3 | F271 C275 L278 L285 L286 T288 A293 L294 M295 | F271-F291 AromaticContact CZ-CE1 3.97Å; F271-F291 HydrophobicContact CZ-CE1 3.97Å; C275-F291 VanDerWaalsContact SG-CZ 3.59Å; L278-F291 HydrophobicContact CD1-CE2 3.74Å; L278-F291 HydrophobicContact CD1-CZ 4.35Å; L285-F291 VanDerWaalsContact O-CD2 3.22Å; L285-F291 WeakPolarHBondContact O-CD2 3.45Å; L286-F291 HydrophobicContact CD2-CE1 4.15Å; L286-F291 HydrophobicContact CD2-CE2 3.74Å; L286-F291 HydrophobicContact CD2-CZ 3.49Å; L286-F291 VanDerWaalsContact CD2-CZ 3.49Å; T288-F291 VanDerWaalsContact O-CB 3.3Å; T288-F291 WeakPolarHBondContact O-CB 3.34Å; T288-F291 PolarHBondContact O-N 3.08Å; T288-F291 PolarHBondContact OG1-N 2.91Å; F291-A293 PolarHBondContact O-N 2.92Å; F291-L294 WeakPolarHBondContact O-CB 3.35Å; F291-L294 PolarHBondContact O-N 3.12Å; F291-M295 HydrophobicContact CD1-CG 4.2Å; F291-M295 HydrophobicContact CD2-CG 4.15Å; F291-M295 HydrophobicContact CE1-CG 3.78Å; F291-M295 HydrophobicContact CE1-SD 4.42Å; F291-M295 HydrophobicContact CE2-CG 3.71Å; F291-M295 HydrophobicContact CE2-SD 3.71Å; F291-M295 HydrophobicContact CG-CG 4.37Å; F291-M295 HydrophobicContact CZ-CE 4.13Å; F291-M295 HydrophobicContact CZ-CG 3.51Å; F291-M295 HydrophobicContact CZ-SD 3.61Å; F291-M295 VanDerWaalsContact O-CG 3.31Å; F291-M295 WeakPolarHBondContact O-CG 3.11Å; F291-M295 PolarHBondContact O-N 2.75Å |
| 292 | C | 91.7 | Very high | 92.1 | Very high | 88 Ų | 88 | 78.9 Ų | 78.9 | 60% | 0.595 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -59.2 | -34.3 | 177.8 | -64.5 | 0 | 0 | 0 | 0 | 113.2 | N290 A296 | N290-C292 PolarHBondContact O-N 3.25Å; C292-A296 VanDerWaalsContact O-CB 3.28Å; C292-A296 WeakPolarHBondContact O-CB 3.42Å; C292-A296 PolarHBondContact O-N 3.06Å |
| 293 | A | 92.5 | Very high | 92.3 | Very high | 60 Ų | 60 | 79 Ų | 79 | 50% | 0.496 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -73.3 | -36.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N290 F291 S297 | N290-A293 WeakPolarHBondContact O-CA 3.36Å; N290-A293 WeakPolarHBondContact O-CB 3.09Å; N290-A293 PolarHBondContact O-N 3.01Å; F291-A293 PolarHBondContact O-N 2.92Å; A293-S297 WeakPolarHBondContact O-CB 3.4Å; A293-S297 PolarHBondContact O-N 3.04Å |
| 294 | L | 92.5 | Very high | 92.3 | Very high | 98 Ų | 98 | 83.4 Ų | 83.4 | 51% | 0.513 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.5 | -48.2 | 172.8 | -69.3 | 172.2 | 0 | 0 | 0 | 110.7 | N290 F291 A296 S297 G298 | N290-L294 PolarHBondContact O-N 3.18Å; F291-L294 WeakPolarHBondContact O-CB 3.35Å; F291-L294 PolarHBondContact O-N 3.12Å; L294-A296 PolarHBondContact O-N 3.37Å; L294-S297 CarbonylContact O-C 3.55Å; L294-S297 WeakPolarHBondContact O-CB 3.22Å; L294-S297 PolarHBondContact O-N 3.41Å; L294-S297 VanDerWaalsContact O-N 3.11Å; L294-G298 PolarHBondContact O-N 2.69Å |
| 295 | M | 95.2 | Very high | 92.3 | Very high | 6 Ų | 6 | 80.2 Ų | 80.2 | 3% | 0.03 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -60.1 | -46.6 | 176.5 | -64.6 | -63.1 | -75.8 | 0 | 0 | 111.6 | W270 F271 E274 L278 F291 S297 G298 W299 | W270-M295 HydrophobicContact CH2-CE 4.28Å; W270-M295 WeakPolarHBondContact CH2-O 3.42Å; W270-M295 HydrophobicContact CZ3-CB 4.44Å; W270-M295 HydrophobicContact CZ3-CE 4.19Å; W270-M295 WeakPolarHBondContact CZ3-O 3.48Å; F271-M295 HydrophobicContact CB-CE 4.5Å; F271-M295 HydrophobicContact CD2-CB 3.78Å; F271-M295 HydrophobicContact CD2-CE 3.66Å; F271-M295 HydrophobicContact CD2-CG 4.15Å; F271-M295 HydrophobicContact CE2-CB 3.51Å; F271-M295 HydrophobicContact CE2-CE 3.92Å; F271-M295 HydrophobicContact CE2-CG 3.65Å; F271-M295 HydrophobicContact CG-CE 4Å; F271-M295 HydrophobicContact CZ-CE 4.46Å; F271-M295 HydrophobicContact CZ-CG 4.35Å; F271-M295 WeakPolarHBondContact O-CE 3.24Å; E274-M295 HydrophobicContact CB-CE 3.55Å; E274-M295 HydrophobicContact CB-SD 4.49Å; E274-M295 HydrophobicContact CG-CE 3.51Å; E274-M295 HydrophobicContact CG-SD 3.79Å; L278-M295 HydrophobicContact CD1-SD 3.95Å; F291-M295 HydrophobicContact CD1-CG 4.2Å; F291-M295 HydrophobicContact CD2-CG 4.15Å; F291-M295 HydrophobicContact CE1-CG 3.78Å; F291-M295 HydrophobicContact CE1-SD 4.42Å; F291-M295 HydrophobicContact CE2-CG 3.71Å; F291-M295 HydrophobicContact CE2-SD 3.71Å; F291-M295 HydrophobicContact CG-CG 4.37Å; F291-M295 HydrophobicContact CZ-CE 4.13Å; F291-M295 HydrophobicContact CZ-CG 3.51Å; F291-M295 HydrophobicContact CZ-SD 3.61Å; F291-M295 VanDerWaalsContact O-CG 3.31Å; F291-M295 WeakPolarHBondContact O-CG 3.11Å; F291-M295 PolarHBondContact O-N 2.75Å; M295-S297 VanDerWaalsContact C-N 3.27Å; M295-S297 PolarHBondContact O-N 3.45Å; M295-G298 PolarHBondContact O-N 3.31Å; M295-G298 VanDerWaalsContact O-N 3.09Å; M295-W299 PolarHBondContact O-N 2.75Å |
| 296 | A | 93.9 | Very high | 92.4 | Very high | 34 Ų | 34 | 81.8 Ų | 81.8 | 28% | 0.281 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.6 | -34.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | C292 L294 K300 | C292-A296 VanDerWaalsContact O-CB 3.28Å; C292-A296 WeakPolarHBondContact O-CB 3.42Å; C292-A296 PolarHBondContact O-N 3.06Å; L294-A296 PolarHBondContact O-N 3.37Å; A296-K300 WeakPolarHBondContact O-CG 3.39Å; A296-K300 PolarHBondContact O-N 2.94Å |
| 297 | S | 94.1 | Very high | 92.5 | Very high | 41 Ų | 41 | 82 Ų | 82 | 29% | 0.287 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -69.7 | -36.9 | 172.6 | -176.2 | 0 | 0 | 0 | 0 | 112.2 | A293 L294 M295 K300 R301 | A293-S297 WeakPolarHBondContact O-CB 3.4Å; A293-S297 PolarHBondContact O-N 3.04Å; L294-S297 CarbonylContact O-C 3.55Å; L294-S297 WeakPolarHBondContact O-CB 3.22Å; L294-S297 PolarHBondContact O-N 3.41Å; L294-S297 VanDerWaalsContact O-N 3.11Å; M295-S297 VanDerWaalsContact C-N 3.27Å; M295-S297 PolarHBondContact O-N 3.45Å; S297-K300 PolarHBondContact O-N 3.35Å; S297-R301 WeakPolarHBondContact O-CG 3.43Å; S297-R301 PolarHBondContact O-N 3.11Å; S297-R301 PolarHBondContact OG-NE 3.47Å; S297-R301 PolarHBondContact OG-NH2 2.89Å |
| 298 | G | 94.8 | Very high | 92.3 | Very high | 24 Ų | 24 | 81.5 Ų | 81.5 | 25% | 0.247 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -60.2 | -51.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L294 M295 K300 R301 L302 | L294-G298 PolarHBondContact O-N 2.69Å; M295-G298 PolarHBondContact O-N 3.31Å; M295-G298 VanDerWaalsContact O-N 3.09Å; G298-K300 VanDerWaalsContact C-N 3.27Å; G298-K300 PolarHBondContact O-N 3.36Å; G298-R301 PolarHBondContact O-N 3.1Å; G298-L302 PolarHBondContact O-N 2.86Å |
| 299 | W | 95.7 | Very high | 91.5 | Very high | 49 Ų | 49 | 86.6 Ų | 86.6 | 19% | 0.186 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -55 | -41.9 | 174.8 | 179.9 | -110.4 | 0 | 0 | 0 | 112.8 | A266 Y267 W270 M295 R301 L302 K307 | A266-W299 VanDerWaalsContact C-CH2 3.5Å; A266-W299 HydrophobicContact CB-CH2 3.78Å; A266-W299 HydrophobicContact CB-CZ2 4.44Å; Y267-W299 HydrophobicContact CD2-CB 3.73Å; Y267-W299 AromaticContact CD2-CD1 3.65Å; Y267-W299 AromaticContact CD2-CD2 3.46Å; Y267-W299 HydrophobicContact CD2-CD2 3.46Å; Y267-W299 VanDerWaalsContact CD2-CD2 3.46Å; Y267-W299 AromaticContact CD2-CE2 3.86Å; Y267-W299 AromaticContact CD2-CE3 3.95Å; Y267-W299 HydrophobicContact CD2-CE3 3.95Å; Y267-W299 AromaticContact CD2-CG 3.34Å; Y267-W299 HydrophobicContact CD2-CG 3.34Å; Y267-W299 AromaticContact CD2-NE1 3.94Å; Y267-W299 HydrophobicContact CE2-CB 3.62Å; Y267-W299 HydrophobicContact CE2-CD2 4.3Å; Y267-W299 AromaticContact CE2-CG 3.75Å; Y267-W299 HydrophobicContact CE2-CG 3.75Å; Y267-W299 HydrophobicContact CG-CD2 4.34Å; Y267-W299 HydrophobicContact CG-CG 4.46Å; W270-W299 HydrophobicContact CB-CE3 3.83Å; W270-W299 HydrophobicContact CB-CZ3 3.49Å; W270-W299 VanDerWaalsContact CB-CZ3 3.49Å; W270-W299 AromaticContact CD2-CE3 3.59Å; W270-W299 HydrophobicContact CD2-CE3 3.59Å; W270-W299 HydrophobicContact CD2-CZ3 4.2Å; W270-W299 HydrophobicContact CE3-CB 3.97Å; W270-W299 HydrophobicContact CE3-CD2 4.34Å; W270-W299 AromaticContact CE3-CE3 3.64Å; W270-W299 HydrophobicContact CE3-CE3 3.64Å; W270-W299 HydrophobicContact CE3-CZ3 4.5Å; W270-W299 AromaticContact CG-CE3 3.65Å; W270-W299 HydrophobicContact CG-CE3 3.65Å; W270-W299 AromaticContact CG-CZ3 3.74Å; W270-W299 HydrophobicContact CG-CZ3 3.74Å; W270-W299 HydrophobicContact CH2-CB 4.12Å; W270-W299 VanDerWaalsContact CH2-N 3.26Å; W270-W299 HydrophobicContact CZ3-CB 3.68Å; M295-W299 PolarHBondContact O-N 2.75Å; W299-R301 VanDerWaalsContact C-N 3.26Å; W299-R301 PolarHBondContact O-N 3.26Å; W299-L302 HydrophobicContact CD2-CD1 4.28Å; W299-L302 HydrophobicContact CE3-CD1 3.43Å; W299-L302 VanDerWaalsContact CE3-CD1 3.43Å; W299-L302 HydrophobicContact CZ3-CD1 3.77Å; W299-L302 WeakPolarHBondContact O-CB 2.86Å; W299-L302 PolarHBondContact O-N 3.17Å; W299-K307 HydrophobicContact CD2-CG 4.34Å; W299-K307 HydrophobicContact CE3-CG 4.31Å; W299-K307 HydrophobicContact CH2-CB 3.72Å; W299-K307 HydrophobicContact CH2-CD 4.34Å; W299-K307 HydrophobicContact CH2-CG 3.6Å; W299-K307 HydrophobicContact CZ2-CB 3.96Å; W299-K307 HydrophobicContact CZ2-CD 3.87Å; W299-K307 HydrophobicContact CZ2-CG 3.66Å; W299-K307 HydrophobicContact CZ3-CB 4.39Å; W299-K307 HydrophobicContact CZ3-CG 3.95Å; W299-K307 WeakPolarHBondContact O-CE 3.12Å; W299-K307 PolarHBondContact O-NZ 2.8Å |
| 300 | K | 94.8 | Very high | 91.6 | Very high | 167 Ų | 167 | 84.5 Ų | 84.5 | 73% | 0.726 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -64 | -30.5 | 178.5 | -77.1 | 176.3 | -178.3 | -179.6 | 0 | 113.3 | A296 S297 G298 | A296-K300 WeakPolarHBondContact O-CG 3.39Å; A296-K300 PolarHBondContact O-N 2.94Å; S297-K300 PolarHBondContact O-N 3.35Å; G298-K300 VanDerWaalsContact C-N 3.27Å; G298-K300 PolarHBondContact O-N 3.36Å |
| 301 | R | 94.7 | Very high | 91.7 | Very high | 203 Ų | 203 | 83.1 Ų | 83.1 | 77% | 0.766 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -79.7 | -20.5 | 179.8 | -68.5 | 173.4 | -158.7 | -89.3 | -1.5 | 113.3 | S297 G298 W299 S303 | S297-R301 WeakPolarHBondContact O-CG 3.43Å; S297-R301 PolarHBondContact O-N 3.11Å; S297-R301 PolarHBondContact OG-NE 3.47Å; S297-R301 PolarHBondContact OG-NH2 2.89Å; G298-R301 PolarHBondContact O-N 3.1Å; W299-R301 VanDerWaalsContact C-N 3.26Å; W299-R301 PolarHBondContact O-N 3.26Å; R301-S303 PolarHBondContact O-N 2.78Å |
| 302 | L | 94.1 | Very high | 91.6 | Very high | 32 Ų | 32 | 86.4 Ų | 86.4 | 17% | 0.168 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -59.9 | 137.2 | 174.5 | -61.1 | 179 | 0 | 0 | 0 | 110.8 | W270 G298 W299 E306 K307 | W270-L302 HydrophobicContact CD2-CD1 4.06Å; W270-L302 HydrophobicContact CG-CD1 3.98Å; W270-L302 HydrophobicContact CZ2-CD1 4.44Å; G298-L302 PolarHBondContact O-N 2.86Å; W299-L302 HydrophobicContact CD2-CD1 4.28Å; W299-L302 HydrophobicContact CE3-CD1 3.43Å; W299-L302 VanDerWaalsContact CE3-CD1 3.43Å; W299-L302 HydrophobicContact CZ3-CD1 3.77Å; W299-L302 WeakPolarHBondContact O-CB 2.86Å; W299-L302 PolarHBondContact O-N 3.17Å; L302-E306 WeakPolarHBondContact CA-OE2 3.41Å; L302-E306 HydrophobicContact CB-CB 4.03Å; L302-E306 HydrophobicContact CD2-CB 4.26Å; L302-K307 HydrophobicContact CB-CG 3.93Å; L302-K307 HydrophobicContact CD1-CG 4.34Å; L302-K307 PolarHBondContact O-NZ 3.11Å |
| 303 | S | 93.7 | Very high | 91.6 | Very high | 50 Ų | 50 | 86.3 Ų | 86.3 | 35% | 0.35 | 45% | 0.448 | S | S | . | . | trans | -61 | 165.9 | 169.1 | 63.3 | 0 | 0 | 0 | 0 | 111.4 | R301 T305 E306 K307 | R301-S303 PolarHBondContact O-N 2.78Å; S303-T305 VanDerWaalsContact C-N 3.29Å; S303-T305 PolarHBondContact O-N 3.37Å; S303-T305 PolarHBondContact OG-OG1 2.87Å; S303-E306 WeakPolarHBondContact CB-OE2 3.42Å; S303-E306 PolarHBondContact N-OE2 2.83Å; S303-E306 PolarHBondContact O-N 3.23Å; S303-E306 VanDerWaalsContact OG-CD 3.25Å; S303-E306 VanDerWaalsContact OG-CG 3.24Å; S303-E306 WeakPolarHBondContact OG-CG 3.04Å; S303-E306 PolarHBondContact OG-N 3.02Å; S303-E306 PolarHBondContact OG-OE2 3.19Å; S303-K307 WeakPolarHBondContact O-CG 3.49Å; S303-K307 PolarHBondContact O-N 3.01Å | ||
| 304 | K | 92.2 | Very high | 91.5 | Very high | 163 Ų | 163 | 87.9 Ų | 87.9 | 71% | 0.709 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.3 | -40.1 | 178.6 | -172.4 | -180 | 174.4 | -170.3 | 0 | 111.3 | K307 E308 | K304-K307 PolarHBondContact O-N 3.21Å; K304-E308 WeakPolarHBondContact CE-OE1 3.42Å; K304-E308 WeakPolarHBondContact O-CG 3.43Å; K304-E308 PolarHBondContact O-N 3.32Å |
| 305 | T | 90.8 | Very high | 91.4 | Very high | 101 Ų | 101 | 87.3 Ų | 87.3 | 62% | 0.62 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -63.1 | -41.9 | 178.4 | 47.1 | 0 | 0 | 0 | 0 | 112.2 | S303 K307 E308 | S303-T305 VanDerWaalsContact C-N 3.29Å; S303-T305 PolarHBondContact O-N 3.37Å; S303-T305 PolarHBondContact OG-OG1 2.87Å; T305-K307 VanDerWaalsContact C-N 3.27Å; T305-K307 PolarHBondContact O-N 3.36Å; T305-E308 PolarHBondContact O-N 3.34Å |
| 306 | E | 91 | Very high | 91.2 | Very high | 100 Ų | 100 | 93.1 Ų | 93.1 | 47% | 0.467 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.8 | -26.9 | 177.1 | -72.8 | 166.3 | 134.7 | 0 | 0 | 113.4 | L302 S303 | L302-E306 WeakPolarHBondContact CA-OE2 3.41Å; L302-E306 HydrophobicContact CB-CB 4.03Å; L302-E306 HydrophobicContact CD2-CB 4.26Å; S303-E306 WeakPolarHBondContact CB-OE2 3.42Å; S303-E306 PolarHBondContact N-OE2 2.83Å; S303-E306 PolarHBondContact O-N 3.23Å; S303-E306 VanDerWaalsContact OG-CD 3.25Å; S303-E306 VanDerWaalsContact OG-CG 3.24Å; S303-E306 WeakPolarHBondContact OG-CG 3.04Å; S303-E306 PolarHBondContact OG-N 3.02Å; S303-E306 PolarHBondContact OG-OE2 3.19Å |
| 307 | K | 91.2 | Very high | 91 | Very high | 56 Ų | 56 | 97.6 Ų | 97.6 | 24% | 0.243 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -82 | -16.5 | 178.9 | -71.5 | 179.3 | 168.1 | 119 | 0 | 114 | A266 W299 L302 S303 K304 T305 | A266-K307 WeakPolarHBondContact CB-O 3.17Å; W299-K307 HydrophobicContact CD2-CG 4.34Å; W299-K307 HydrophobicContact CE3-CG 4.31Å; W299-K307 HydrophobicContact CH2-CB 3.72Å; W299-K307 HydrophobicContact CH2-CD 4.34Å; W299-K307 HydrophobicContact CH2-CG 3.6Å; W299-K307 HydrophobicContact CZ2-CB 3.96Å; W299-K307 HydrophobicContact CZ2-CD 3.87Å; W299-K307 HydrophobicContact CZ2-CG 3.66Å; W299-K307 HydrophobicContact CZ3-CB 4.39Å; W299-K307 HydrophobicContact CZ3-CG 3.95Å; W299-K307 WeakPolarHBondContact O-CE 3.12Å; W299-K307 PolarHBondContact O-NZ 2.8Å; L302-K307 HydrophobicContact CB-CG 3.93Å; L302-K307 HydrophobicContact CD1-CG 4.34Å; L302-K307 PolarHBondContact O-NZ 3.11Å; S303-K307 WeakPolarHBondContact O-CG 3.49Å; S303-K307 PolarHBondContact O-N 3.01Å; K304-K307 PolarHBondContact O-N 3.21Å; T305-K307 VanDerWaalsContact C-N 3.27Å; T305-K307 PolarHBondContact O-N 3.36Å |
| 308 | E | 84.2 | Confident | 90.7 | Very high | 134 Ų | 134 | 102.3 Ų | 102.3 | 63% | 0.626 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -88.9 | -12.1 | -178.7 | -73.4 | 172.1 | -179.6 | 0 | 0 | 112.5 | K304 T305 | K304-E308 WeakPolarHBondContact CE-OE1 3.42Å; K304-E308 WeakPolarHBondContact O-CG 3.43Å; K304-E308 PolarHBondContact O-N 3.32Å; T305-E308 PolarHBondContact O-N 3.34Å |
| 309 | V | 71.3 | Confident | 90.3 | Very high | 149 Ų | 149 | 109.5 Ų | 109.5 | 90% | 0.903 | 52% | 0.524 | S | S | * | . | trans | -76.3 | 0 | 171.7 | -173.5 | 0 | 0 | 0 | 0 | 110.6 |
Retrieved 309 of 309 residues in 92.2 ms
(Link to these results)