| 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 | 39.5 | Very low | 38.5 | Very low | 231 Ų | 231 | 143.3 Ų | 143.3 | 100% | 1.138 | 83% | 0.825 | S | S | * | * | 0 | 105.7 | 0 | -62.8 | 157.5 | -174.9 | 0 | 0 | 104.6 | |||||
| 2 | L | 34.6 | Very low | 38.3 | Very low | 154 Ų | 154 | 147.2 Ų | 147.2 | 81% | 0.806 | 84% | 0.839 | S | S | * | * | 58.1 | 121.3 | 51.1 | -56.9 | 160.6 | 0 | 0 | 0 | 110.4 | |||||
| 3 | L | 38.3 | Very low | 37.8 | Very low | 152 Ų | 152 | 141.8 Ų | 141.8 | 80% | 0.796 | 84% | 0.837 | S | S | * | * | cis | -154.7 | 153.4 | -7.7 | -94.9 | 171.3 | 0 | 0 | 0 | 107.8 | ||||
| 4 | D | 34.3 | Very low | 37.5 | Very low | 166 Ų | 166 | 142.6 Ų | 142.6 | 89% | 0.888 | 84% | 0.843 | S | S | * | * | trans | -152.1 | 113.7 | 140.2 | -153.6 | -23.1 | 0 | 0 | 0 | 110.3 | ||||
| 5 | A | 42.8 | Very low | 37.2 | Very low | 91 Ų | 91 | 137.2 Ų | 137.2 | 75% | 0.752 | 83% | 0.829 | S | S | * | * | trans | -172.2 | 120.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 6 | G | 33.4 | Very low | 37.1 | Very low | 77 Ų | 77 | 136.9 Ų | 136.9 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | trans | -152.9 | 116.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 7 | H | 38.6 | Very low | 36.9 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 75% | 0.75 | 83% | 0.831 | S | S | * | * | trans | -80.6 | 168.1 | 171.6 | -75.3 | -52.3 | 0 | 0 | 0 | 110.2 | ||||
| 8 | Q | 37.4 | Very low | 36.5 | Very low | 169 Ų | 169 | 138 Ų | 138 | 79% | 0.79 | 83% | 0.827 | S | S | * | * | -160.8 | 164.6 | 52.1 | -147 | 87.3 | 19 | 0 | 0 | 115.2 | |||||
| 9 | F | 37.6 | Very low | 36.4 | Very low | 169 Ų | 169 | 142.8 Ų | 142.8 | 74% | 0.741 | 83% | 0.829 | S | S | * | * | trans | -59.8 | -179.2 | 171.9 | -72.1 | -83.6 | 0 | 0 | 0 | 115.2 | ||||
| 10 | P | 54.6 | Low | 36.2 | Very low | 129 Ų | 129 | 144.3 Ų | 144.3 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | cis | -140.8 | 176.7 | 15.5 | 42.7 | -23.5 | 0 | 0 | 0 | 118.9 | ||||
| 11 | G | 33 | Very low | 36.2 | Very low | 76 Ų | 76 | 145.7 Ų | 145.7 | 78% | 0.784 | 83% | 0.827 | S | S | * | * | trans | -165.1 | 141 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 12 | L | 35.4 | Very low | 35.8 | Very low | 190 Ų | 190 | 140 Ų | 140 | 100% | 0.995 | 81% | 0.81 | S | S | * | * | trans | -100.8 | 152.6 | -176.1 | -73 | 157.8 | 0 | 0 | 0 | 112 | ||||
| 13 | G | 31.4 | Very low | 35.5 | Very low | 78 Ų | 78 | 137.2 Ų | 137.2 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | 175.8 | 105.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 14 | V | 34.9 | Very low | 35.1 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -103.3 | 135.5 | 171.6 | -171.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 15 | G | 32.1 | Very low | 34.9 | Very low | 62 Ų | 62 | 136.6 Ų | 136.6 | 64% | 0.639 | 81% | 0.81 | S | S | * | * | trans | -154.9 | 95 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 16 | T | 35.3 | Very low | 34.4 | Very low | 132 Ų | 132 | 140 Ų | 140 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -81.7 | 134.8 | 169.9 | 47.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 17 | F | 33.7 | Very low | 34.4 | Very low | 202 Ų | 202 | 143 Ų | 143 | 89% | 0.886 | 81% | 0.806 | S | S | * | * | trans | -132.1 | 101.1 | 168 | -78.8 | -76.2 | 0 | 0 | 0 | 111.9 | ||||
| 18 | A | 31.2 | Very low | 34 | Very low | 92 Ų | 92 | 142.1 Ų | 142.1 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | trans | -74 | 152.4 | 156.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 19 | R | 34.4 | Very low | 33.8 | Very low | 229 Ų | 229 | 145.4 Ų | 145.4 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -136.7 | 92.8 | 174.2 | -147.9 | 174.7 | -164.5 | 167.3 | 5.7 | 110.8 | ||||
| 20 | H | 32.2 | Very low | 33.3 | Very low | 173 Ų | 173 | 143.9 Ų | 143.9 | 80% | 0.801 | 81% | 0.811 | S | S | * | * | trans | -65.8 | 148.6 | 158.5 | -78.9 | -103.2 | 0 | 0 | 0 | 109.3 | ||||
| 21 | H | 35.1 | Very low | 32.3 | Very low | 173 Ų | 173 | 144.4 Ų | 144.4 | 80% | 0.801 | 81% | 0.807 | S | S | * | * | trans | -139.5 | 140.5 | 147.3 | -110.2 | -86.8 | 0 | 0 | 0 | 109 | ||||
| 22 | S | 31.2 | Very low | 32.1 | Very low | 112 Ų | 112 | 144.8 Ų | 144.8 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | -85.9 | 165.8 | -171.9 | -51.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 23 | A | 29.2 | Very low | 32 | Very low | 96 Ų | 96 | 142.9 Ų | 142.9 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | trans | -70.9 | 162.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 24 | S | 30.1 | Very low | 32 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -138.8 | 139.4 | 153.3 | -68.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 25 | E | 29.6 | Very low | 32 | Very low | 183 Ų | 183 | 143.4 Ų | 143.4 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | trans | -82.6 | 168.7 | 178.3 | -59.6 | 152 | 113.8 | 0 | 0 | 111.3 | ||||
| 26 | M | 31.8 | Very low | 31.9 | Very low | 163 Ų | 163 | 148.3 Ų | 148.3 | 80% | 0.803 | 79% | 0.785 | S | S | * | * | -179.5 | 140.8 | 119.3 | -96.9 | 179.1 | -174.6 | 0 | 0 | 114.4 | |||||
| 27 | Q | 33.2 | Very low | 31.7 | Very low | 138 Ų | 138 | 146.7 Ų | 146.7 | 65% | 0.645 | 78% | 0.779 | S | S | * | * | trans | 44.5 | 105.6 | 161.6 | -76.4 | 79 | 66.3 | 0 | 0 | 121.8 | ||||
| 28 | D | 30 | Very low | 31.5 | Very low | 144 Ų | 144 | 145.8 Ų | 145.8 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | 36.3 | 122.4 | 105.6 | -53 | -59.3 | 0 | 0 | 0 | 120.8 | |||||
| 29 | R | 34.1 | Very low | 31.8 | Very low | 238 Ų | 238 | 146.2 Ų | 146.2 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | -147.2 | 136.9 | 115.3 | -92.2 | -162.8 | 87.2 | 134.4 | 2.8 | 111.3 | |||||
| 30 | D | 27.3 | Very low | 31.7 | Very low | 138 Ų | 138 | 142.2 Ų | 142.2 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | -103.4 | -175.7 | -179.6 | -158.5 | -11.4 | 0 | 0 | 0 | 111.5 | ||||
| 31 | L | 32.3 | Very low | 31.7 | Very low | 140 Ų | 140 | 139.2 Ų | 139.2 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | 97.7 | 107.9 | -167.4 | -59.4 | 164.3 | 0 | 0 | 0 | 111.5 | ||||
| 32 | S | 29.3 | Very low | 31.5 | Very low | 84 Ų | 84 | 134.9 Ų | 134.9 | 59% | 0.587 | 76% | 0.756 | S | S | * | * | cis | 65.9 | 137.6 | 29 | 103.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 33 | L | 33.5 | Very low | 31.7 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | cis | -124.1 | -177.4 | 1.8 | -57.9 | 84.9 | 0 | 0 | 0 | 109.4 | ||||
| 34 | A | 31.8 | Very low | 32 | Very low | 86 Ų | 86 | 143.1 Ų | 143.1 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | cis | -142.9 | 149.9 | 1.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 35 | Q | 34.6 | Very low | 32 | Very low | 154 Ų | 154 | 141 Ų | 141 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | cis | 75.5 | 94.6 | 36.5 | -163.8 | 172.6 | 11.6 | 0 | 0 | 114.6 | ||||
| 36 | N | 30.1 | Very low | 32 | Very low | 166 Ų | 166 | 137 Ų | 137 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | trans | -151.7 | 118.4 | 131.3 | -98.3 | -29.8 | 0 | 0 | 0 | 110.5 | ||||
| 37 | S | 31.6 | Very low | 32 | Very low | 97 Ų | 97 | 139.2 Ų | 139.2 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | trans | -76.5 | -175 | 167.6 | 42.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 38 | F | 28.6 | Very low | 31.8 | Very low | 184 Ų | 184 | 141.3 Ų | 141.3 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | 169.8 | 138 | 52.6 | -171.8 | -102.2 | 0 | 0 | 0 | 105.7 | |||||
| 39 | V | 37.8 | Very low | 32 | Very low | 101 Ų | 101 | 142.3 Ų | 142.3 | 61% | 0.612 | 78% | 0.781 | S | S | * | * | cis | -142.3 | 165.4 | -1.7 | -91.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 40 | D | 31.5 | Very low | 31.8 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | cis | 89.2 | 162.1 | 27.8 | -159 | 26.3 | 0 | 0 | 0 | 116 | ||||
| 41 | S | 33.3 | Very low | 31.9 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | 75.5 | 100.9 | -166 | -54 | 0 | 0 | 0 | 0 | 114 | ||||
| 42 | A | 31.3 | Very low | 31.6 | Very low | 83 Ų | 83 | 137.4 Ų | 137.4 | 69% | 0.686 | 77% | 0.768 | S | S | * | * | cis | 84.7 | 124.9 | 34.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 43 | H | 35.7 | Very low | 31.6 | Very low | 195 Ų | 195 | 141.4 Ų | 141.4 | 90% | 0.903 | 78% | 0.781 | S | S | * | * | trans | -164.9 | 127.8 | 130.6 | -114.1 | -75.4 | 0 | 0 | 0 | 111.3 | ||||
| 44 | M | 34.3 | Very low | 31.4 | Very low | 186 Ų | 186 | 139.2 Ų | 139.2 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | trans | -97 | 134 | 163.7 | -79.2 | -76.3 | -164.3 | 0 | 0 | 108.8 | ||||
| 45 | G | 29.6 | Very low | 31.9 | Very low | 78 Ų | 78 | 141.4 Ų | 141.4 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -104.1 | 104.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 46 | A | 31.3 | Very low | 31.6 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -89.5 | 126 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | K48 | A46-K48 PolarHBondContact O-N 2.72Š| ||
| 47 | F | 31.1 | Very low | 31.8 | Very low | 208 Ų | 208 | 139.3 Ų | 139.3 | 91% | 0.912 | 79% | 0.791 | S | S | * | * | trans | -75.9 | 121.7 | 168.1 | -87.4 | -97.4 | 0 | 0 | 0 | 109.9 | ||||
| 48 | K | 29.3 | Very low | 31.8 | Very low | 183 Ų | 183 | 140 Ų | 140 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | trans | -138.3 | 120.7 | 162.3 | -169.6 | 164.6 | -178.4 | 175.9 | 0 | 109.8 | A46 | A46-K48 PolarHBondContact O-N 2.72Š| ||
| 49 | L | 34.7 | Very low | 31.9 | Very low | 165 Ų | 165 | 136.8 Ų | 136.8 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -85.4 | 144 | 171 | -60.9 | 170.2 | 0 | 0 | 0 | 108.6 | ||||
| 50 | N | 28.2 | Very low | 31.5 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 68% | 0.684 | 80% | 0.804 | S | S | * | * | trans | -120.9 | 128.5 | 171.5 | -82.7 | -6 | 0 | 0 | 0 | 109.2 | ||||
| 51 | H | 31 | Very low | 31.3 | Very low | 162 Ų | 162 | 138.3 Ų | 138.3 | 75% | 0.75 | 81% | 0.805 | S | S | * | * | trans | 56.1 | 156.6 | 144.1 | -80.1 | -101.5 | 0 | 0 | 0 | 119.3 | ||||
| 52 | D | 26.1 | Very low | 31.2 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 66% | 0.658 | 80% | 0.8 | S | S | * | * | cis | -145.1 | 162.5 | 14 | -123.5 | -40.3 | 0 | 0 | 0 | 112.1 | ||||
| 53 | L | 28.6 | Very low | 31.3 | Very low | 168 Ų | 168 | 139.2 Ų | 139.2 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | trans | -174.3 | 136 | 136.1 | -103.9 | 173.1 | 0 | 0 | 0 | 111 | ||||
| 54 | S | 29.5 | Very low | 31.1 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | -89 | 164.8 | -163.5 | -34.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 55 | P | 41.1 | Very low | 31 | Very low | 133 Ų | 133 | 133.8 Ų | 133.8 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | -123.8 | 138.2 | 133 | 35.7 | -28.1 | 0 | 0 | 0 | 111.5 | ||||
| 56 | G | 29.5 | Very low | 32 | Very low | 76 Ų | 76 | 136.1 Ų | 136.1 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | trans | -174.5 | 121.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 57 | Q | 34.4 | Very low | 31.9 | Very low | 199 Ų | 199 | 135 Ų | 135 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | trans | -78.2 | 157.8 | -171.9 | -67.3 | 174.2 | -13.3 | 0 | 0 | 113.3 | ||||
| 58 | S | 30.5 | Very low | 32 | Very low | 113 Ų | 113 | 136 Ų | 136 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -75 | 137.4 | 169.1 | 55.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 59 | S | 31.8 | Very low | 33.1 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | -174.3 | 142.6 | 115.7 | 48.6 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 60 | A | 29.5 | Very low | 32.9 | Very low | 94 Ų | 94 | 129.5 Ų | 129.5 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | trans | 65.5 | 133.8 | 142.7 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 61 | F | 27.1 | Very low | 33 | Very low | 183 Ų | 183 | 128 Ų | 128 | 80% | 0.803 | 79% | 0.785 | S | S | * | * | trans | 92.9 | 85.1 | 138.8 | -112 | -98.3 | 0 | 0 | 0 | 122.5 | ||||
| 62 | T | 31.3 | Very low | 33 | Very low | 107 Ų | 107 | 124.2 Ų | 124.2 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | 43.6 | 122 | 116.5 | -30.5 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 63 | T | 32.1 | Very low | 33.5 | Very low | 105 Ų | 105 | 127.1 Ų | 127.1 | 64% | 0.644 | 80% | 0.797 | S | S | * | * | 168.8 | 130 | 106.5 | -65.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 64 | Q | 32.3 | Very low | 33.5 | Very low | 175 Ų | 175 | 122.6 Ų | 122.6 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | 26.3 | 123 | 154.8 | -58.7 | 157.3 | 16.8 | 0 | 0 | 119.8 | ||||
| 65 | A | 32 | Very low | 33.5 | Very low | 93 Ų | 93 | 122.1 Ų | 122.1 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | 79.1 | 154.8 | 58.6 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 66 | P | 50.3 | Low | 33.2 | Very low | 126 Ų | 126 | 125 Ų | 125 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | -130 | 178.4 | -110.7 | 35.3 | -15.2 | 0 | 0 | 0 | 116.4 | |||||
| 67 | G | 29.9 | Very low | 33.2 | Very low | 76 Ų | 76 | 125.7 Ų | 125.7 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | -140.7 | 119.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 68 | Y | 31.8 | Very low | 33.1 | Very low | 228 Ų | 228 | 120.9 Ų | 120.9 | 89% | 0.894 | 79% | 0.787 | S | S | * | * | trans | -103.7 | -175 | 163.2 | -84.7 | -74.2 | 0 | 0 | 0 | 108.1 | ||||
| 69 | P | 53.5 | Low | 33.2 | Very low | 114 Ų | 114 | 124.3 Ų | 124.3 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | cis | -142.3 | 175.1 | 9.3 | 44.3 | -26.5 | 0 | 0 | 0 | 118.3 | ||||
| 70 | A | 30.1 | Very low | 33.1 | Very low | 98 Ų | 98 | 124.1 Ų | 124.1 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | 60.1 | 164 | 149.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 71 | A | 31.1 | Very low | 33.2 | Very low | 96 Ų | 96 | 125.8 Ų | 125.8 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | cis | -159.9 | 172.1 | 0.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 72 | A | 31.1 | Very low | 33.4 | Very low | 84 Ų | 84 | 120.4 Ų | 120.4 | 69% | 0.694 | 77% | 0.77 | S | S | * | * | cis | -169.1 | -169.3 | -13.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 73 | L | 35.2 | Very low | 33.3 | Very low | 183 Ų | 183 | 125.9 Ų | 125.9 | 96% | 0.958 | 78% | 0.78 | S | S | * | * | trans | 73.4 | 145.1 | 175.6 | -47.1 | 173.7 | 0 | 0 | 0 | 115.3 | ||||
| 74 | G | 28.8 | Very low | 33.2 | Very low | 74 Ų | 74 | 124.8 Ų | 124.8 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | cis | -164 | 164 | -1.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 75 | A | 31 | Very low | 33.1 | Very low | 92 Ų | 92 | 122.5 Ų | 122.5 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | trans | -55.3 | 150.9 | -164.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 76 | H | 34.6 | Very low | 33 | Very low | 193 Ų | 193 | 123.4 Ų | 123.4 | 89% | 0.894 | 79% | 0.786 | S | S | * | * | -157.5 | 153.2 | 111.3 | -107.2 | -78.7 | 0 | 0 | 0 | 110.9 | |||||
| 77 | A | 29.2 | Very low | 32.9 | Very low | 92 Ų | 92 | 122 Ų | 122 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | -152.5 | 177.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 78 | A | 32 | Very low | 32.8 | Very low | 97 Ų | 97 | 127.3 Ų | 127.3 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | 77.9 | 143.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 79 | H | 32 | Very low | 32.6 | Very low | 186 Ų | 186 | 123.1 Ų | 123.1 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | cis | -140 | 173.2 | 0.2 | -151.2 | -95.4 | 0 | 0 | 0 | 112.8 | ||||
| 80 | V | 30.9 | Very low | 31.5 | Very low | 111 Ų | 111 | 121.5 Ų | 121.5 | 67% | 0.673 | 76% | 0.763 | S | S | * | * | trans | -118.8 | 139.9 | -164.5 | 172.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 81 | T | 30.5 | Very low | 31.6 | Very low | 129 Ų | 129 | 122.3 Ų | 122.3 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | -170.5 | 116.8 | 141.7 | 23.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 82 | S | 31.9 | Very low | 31.8 | Very low | 69 Ų | 69 | 128 Ų | 128 | 48% | 0.483 | 76% | 0.759 | S | S | . | * | 52.2 | 125.2 | 62.8 | 78.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 83 | Y | 29.8 | Very low | 31.7 | Very low | 223 Ų | 223 | 129.2 Ų | 129.2 | 88% | 0.875 | 75% | 0.754 | S | S | * | * | cis | -150.2 | 168.6 | 15.8 | -68.6 | -83.6 | 0 | 0 | 0 | 109.3 | ||||
| 84 | A | 28.9 | Very low | 31.9 | Very low | 82 Ų | 82 | 129.8 Ų | 129.8 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | cis | -174.9 | -170.6 | -22.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 85 | S | 31.3 | Very low | 32 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 89% | 0.888 | 76% | 0.755 | S | S | * | * | trans | 75.9 | 133 | 165.2 | -59.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 86 | S | 29.9 | Very low | 32.1 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | trans | -106.8 | -165.6 | 175.8 | 56.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 87 | P | 46.8 | Very low | 31.8 | Very low | 97 Ų | 97 | 141.5 Ų | 141.5 | 63% | 0.63 | 76% | 0.76 | S | S | * | * | -134.9 | -163.8 | -60.8 | 38.4 | -20.5 | 0 | 0 | 0 | 112.4 | |||||
| 88 | F | 27.4 | Very low | 32 | Very low | 187 Ų | 187 | 141.7 Ų | 141.7 | 82% | 0.82 | 76% | 0.755 | S | S | * | * | trans | 64.9 | 122.7 | 168.6 | -82.8 | -114.1 | 0 | 0 | 0 | 115.8 | ||||
| 89 | N | 29.2 | Very low | 32 | Very low | 140 Ų | 140 | 149.4 Ų | 149.4 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | 91.4 | 144.5 | 54.3 | -174.2 | 32.1 | 0 | 0 | 0 | 113.5 | |||||
| 90 | S | 29.3 | Very low | 31.7 | Very low | 79 Ų | 79 | 144 Ų | 144 | 55% | 0.552 | 76% | 0.758 | S | S | * | * | trans | 90 | 97.7 | 157.5 | -148.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 91 | T | 32.5 | Very low | 31.8 | Very low | 115 Ų | 115 | 149.4 Ų | 149.4 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | 70.3 | 157.5 | 127.6 | 58.7 | 0 | 0 | 0 | 0 | 122 | |||||
| 92 | R | 34.6 | Very low | 31.6 | Very low | 216 Ų | 216 | 147 Ų | 147 | 82% | 0.815 | 77% | 0.774 | S | S | * | * | trans | 77.9 | 146.4 | 164.4 | -46.4 | -156.2 | 72.2 | 160.6 | 3.6 | 115.1 | ||||
| 93 | D | 30.7 | Very low | 31.4 | Very low | 110 Ų | 110 | 152.7 Ų | 152.7 | 59% | 0.588 | 79% | 0.793 | S | S | * | * | cis | -154.2 | 179.1 | -18.5 | -131.7 | -45.9 | 0 | 0 | 0 | 110.7 | ||||
| 94 | F | 38.4 | Very low | 31.4 | Very low | 195 Ų | 195 | 147.7 Ų | 147.7 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | -60.4 | 144.2 | 165.2 | -74.3 | -101.2 | 0 | 0 | 0 | 112.6 | ||||
| 95 | L | 31.7 | Very low | 31.5 | Very low | 171 Ų | 171 | 149.3 Ų | 149.3 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | trans | -160 | 157.8 | 135.2 | -108.1 | -176.6 | 0 | 0 | 0 | 113.1 | ||||
| 96 | F | 33.5 | Very low | 32.3 | Very low | 183 Ų | 183 | 149.2 Ų | 149.2 | 80% | 0.803 | 79% | 0.793 | S | S | * | * | trans | -76.9 | 147.6 | -177.5 | -91.9 | -112.4 | 0 | 0 | 0 | 114.2 | ||||
| 97 | R | 28.3 | Very low | 32.4 | Very low | 250 Ų | 250 | 148.3 Ų | 148.3 | 94% | 0.943 | 79% | 0.793 | S | S | * | * | -158.1 | 161.8 | 128 | -120.1 | 179 | 179.8 | -159.7 | -0.5 | 113.3 | |||||
| 98 | S | 33 | Very low | 31.5 | Very low | 96 Ų | 96 | 149.3 Ų | 149.3 | 67% | 0.671 | 80% | 0.802 | S | S | * | * | trans | -125.3 | 170.7 | -166.4 | -35.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 99 | R | 31.4 | Very low | 31.6 | Very low | 260 Ų | 260 | 143.8 Ų | 143.8 | 98% | 0.981 | 80% | 0.798 | S | S | * | * | trans | 98.8 | 147.8 | -177.9 | -62.8 | 176.1 | 168.8 | 171 | -4.3 | 113.4 | ||||
| 100 | G | 25.8 | Very low | 31.9 | Very low | 71 Ų | 71 | 145.4 Ų | 145.4 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | cis | -141 | -175.3 | 11.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 101 | F | 32.6 | Very low | 32 | Very low | 225 Ų | 225 | 150.6 Ų | 150.6 | 99% | 0.987 | 82% | 0.816 | S | S | * | * | trans | -76.8 | 159.5 | 175.8 | -83.9 | -123.9 | 0 | 0 | 0 | 111.9 | ||||
| 102 | G | 26.8 | Very low | 31.9 | Very low | 79 Ų | 79 | 149.8 Ų | 149.8 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | trans | 178.1 | 112.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 103 | E | 27.8 | Very low | 31.8 | Very low | 188 Ų | 188 | 146.7 Ų | 146.7 | 88% | 0.879 | 82% | 0.819 | S | S | * | * | trans | -78.2 | 150 | -172.2 | -61.8 | 154.7 | 112 | 0 | 0 | 113.4 | ||||
| 104 | S | 29 | Very low | 31.8 | Very low | 118 Ų | 118 | 151.5 Ų | 151.5 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | -177.1 | 148.3 | 128.4 | 33.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 105 | S | 32.1 | Very low | 31.3 | Very low | 116 Ų | 116 | 145.3 Ų | 145.3 | 81% | 0.811 | 83% | 0.827 | S | S | * | * | trans | -154.2 | 152.2 | 163.9 | -69.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 106 | P | 47.3 | Very low | 32.1 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | -152.3 | 162.3 | 106.2 | 37.4 | -20.6 | 0 | 0 | 0 | 116.6 | |||||
| 107 | A | 31.8 | Very low | 32 | Very low | 94 Ų | 94 | 140 Ų | 140 | 78% | 0.777 | 82% | 0.819 | S | S | * | * | trans | 45.1 | 133 | 148.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 108 | S | 28.9 | Very low | 32.2 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | cis | -155.9 | 155 | 44.1 | -56 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 109 | G | 30.1 | Very low | 32 | Very low | 71 Ų | 71 | 132.3 Ų | 132.3 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | 83.7 | 127 | 64.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 110 | Q | 34.6 | Very low | 31.9 | Very low | 173 Ų | 173 | 126 Ų | 126 | 81% | 0.808 | 82% | 0.817 | S | S | * | * | cis | -153.5 | 161.2 | 8.7 | -58 | 172.7 | -7.8 | 0 | 0 | 110.5 | ||||
| 111 | H | 31.4 | Very low | 32 | Very low | 189 Ų | 189 | 130 Ų | 130 | 88% | 0.875 | 82% | 0.821 | S | S | * | * | 179 | 170.4 | 119.7 | -105.2 | -86 | 0 | 0 | 0 | 111.8 | |||||
| 112 | A | 29.6 | Very low | 32 | Very low | 98 Ų | 98 | 128.1 Ų | 128.1 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -116.3 | 178.7 | -152.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 113 | I | 32.9 | Very low | 32.2 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 77% | 0.774 | 81% | 0.813 | S | S | * | * | trans | -92.7 | 147.2 | -169.4 | -68.6 | 160.8 | 0 | 0 | 0 | 112.6 | ||||
| 114 | F | 31.5 | Very low | 32.2 | Very low | 210 Ų | 210 | 128.2 Ų | 128.2 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | -169.3 | 159.3 | 131.1 | -101.4 | -67.9 | 0 | 0 | 0 | 111.6 | ||||
| 115 | G | 26.9 | Very low | 32.4 | Very low | 66 Ų | 66 | 131.1 Ų | 131.1 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | trans | -93.6 | -149.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 116 | P | 50.1 | Low | 32.4 | Very low | 115 Ų | 115 | 131 Ų | 131 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | cis | -147.8 | -158.2 | 14.6 | 42.9 | -20.4 | 0 | 0 | 0 | 116.7 | ||||
| 117 | T | 30.8 | Very low | 31.6 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | 81 | 126 | 150.8 | 43.1 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 118 | A | 32.7 | Very low | 31.7 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 88% | 0.884 | 80% | 0.798 | S | S | * | * | trans | 62.7 | 145.6 | 143.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 119 | G | 28.4 | Very low | 32 | Very low | 76 Ų | 76 | 137 Ų | 137 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | cis | -172.5 | 159.7 | -3.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 120 | S | 29.3 | Very low | 32 | Very low | 128 Ų | 128 | 139 Ų | 139 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | trans | -95 | 147.4 | -173.9 | -61.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 121 | L | 28.5 | Very low | 31.9 | Very low | 154 Ų | 154 | 138.5 Ų | 138.5 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | trans | -141.6 | 121.9 | 163.4 | -107.7 | 163.7 | 0 | 0 | 0 | 109.5 | ||||
| 122 | H | 32.4 | Very low | 31.9 | Very low | 187 Ų | 187 | 136 Ų | 136 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | trans | -130.3 | 132.3 | 170.9 | -115.3 | -113.7 | 0 | 0 | 0 | 107.3 | ||||
| 123 | H | 31.3 | Very low | 31.9 | Very low | 167 Ų | 167 | 139 Ų | 139 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -97.4 | 139.8 | 179.4 | -113.6 | 64.7 | 0 | 0 | 0 | 111 | ||||
| 124 | S | 27.3 | Very low | 31.9 | Very low | 102 Ų | 102 | 141.3 Ų | 141.3 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | trans | -97 | 151.9 | 176.3 | -52.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 125 | H | 33.1 | Very low | 32.4 | Very low | 178 Ų | 178 | 137.3 Ų | 137.3 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | -132.4 | 162.4 | 160.7 | -91.1 | -80.6 | 0 | 0 | 0 | 110.2 | ||||
| 126 | T | 31.4 | Very low | 32.4 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | -119.6 | -164.9 | -152.9 | 52.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 127 | D | 29.8 | Very low | 31.5 | Very low | 132 Ų | 132 | 139.7 Ų | 139.7 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | 99.2 | 99.4 | 160.7 | -51.7 | -9.6 | 0 | 0 | 0 | 114.1 | ||||
| 128 | T | 34.1 | Very low | 31.5 | Very low | 138 Ų | 138 | 142 Ų | 142 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | 90.5 | 144.7 | 55.8 | 65.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 129 | Q | 36.8 | Very low | 31.5 | Very low | 192 Ų | 192 | 143.4 Ų | 143.4 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | -109.1 | 143.5 | -166 | -58.7 | 170.1 | -72.5 | 0 | 0 | 113 | ||||
| 130 | S | 28.5 | Very low | 31.8 | Very low | 114 Ų | 114 | 146.6 Ų | 146.6 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -178.1 | 155.1 | 151.6 | 46.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 131 | H | 32.7 | Very low | 32 | Very low | 162 Ų | 162 | 148.4 Ų | 148.4 | 75% | 0.75 | 78% | 0.782 | S | S | * | * | cis | -173.8 | 123.8 | -28.6 | -116.6 | -85.2 | 0 | 0 | 0 | 104.6 | ||||
| 132 | I | 31.9 | Very low | 32 | Very low | 138 Ų | 138 | 144.2 Ų | 144.2 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | trans | 37.6 | 122.1 | 149.1 | -29.8 | 175.8 | 0 | 0 | 0 | 120.2 | ||||
| 133 | L | 29.6 | Very low | 32 | Very low | 159 Ų | 159 | 140.5 Ų | 140.5 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | 173.4 | 142.4 | 113.8 | -91.4 | 169.2 | 0 | 0 | 0 | 114.7 | |||||
| 134 | F | 32 | Very low | 32.2 | Very low | 201 Ų | 201 | 141.5 Ų | 141.5 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | trans | -139.4 | 133.9 | 168.8 | -106.6 | -72.6 | 0 | 0 | 0 | 109 | ||||
| 135 | P | 42.5 | Very low | 32.3 | Very low | 126 Ų | 126 | 140.2 Ų | 140.2 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -138.5 | 147.1 | 144.1 | 36.1 | -23 | 0 | 0 | 0 | 112.5 | ||||
| 136 | G | 27.6 | Very low | 32.2 | Very low | 64 Ų | 64 | 137.5 Ų | 137.5 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | cis | 171.9 | 161.1 | -8.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 137 | I | 31 | Very low | 33.1 | Very low | 167 Ų | 167 | 137.1 Ų | 137.1 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | 36.3 | 113.9 | 153.3 | 46.3 | 170.3 | 0 | 0 | 0 | 121.8 | ||||
| 138 | H | 29.6 | Very low | 33.1 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 82% | 0.819 | 78% | 0.781 | S | S | * | * | -145.2 | 159.5 | 104.2 | -146.6 | 90.4 | 0 | 0 | 0 | 111 | |||||
| 139 | D | 33.7 | Very low | 33 | Very low | 135 Ų | 135 | 137 Ų | 137 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | -105.8 | -168.6 | -161.6 | -144.7 | -68 | 0 | 0 | 0 | 114.3 | ||||
| 140 | Q | 35.4 | Very low | 32.8 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 67% | 0.668 | 78% | 0.776 | S | S | * | * | trans | 87.3 | 125.4 | 172.4 | -58.4 | 174.2 | 52.3 | 0 | 0 | 115.9 | ||||
| 141 | H | 32.5 | Very low | 32.9 | Very low | 167 Ų | 167 | 138 Ų | 138 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | cis | -145 | 171.4 | -0.8 | -106 | -59.2 | 0 | 0 | 0 | 111.2 | ||||
| 142 | G | 29.5 | Very low | 32.8 | Very low | 65 Ų | 65 | 133.5 Ų | 133.5 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | trans | -73.1 | -172.2 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 143 | S | 32.1 | Very low | 32.7 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | cis | -156.6 | 171.8 | 21.4 | -79.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 144 | H | 35.7 | Very low | 32.9 | Very low | 188 Ų | 188 | 138.1 Ų | 138.1 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | trans | -23.7 | 149.7 | 168.4 | -40.2 | -76.6 | 0 | 0 | 0 | 118.4 | ||||
| 145 | G | 28.3 | Very low | 32.9 | Very low | 75 Ų | 75 | 140.4 Ų | 140.4 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | cis | 177.5 | 177 | 1.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 146 | S | 30.6 | Very low | 32.7 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -80.2 | -179.2 | 179.8 | -25.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 147 | P | 50.9 | Low | 32.7 | Very low | 105 Ų | 105 | 143.6 Ų | 143.6 | 68% | 0.682 | 81% | 0.807 | S | S | * | * | cis | -150.4 | 177.2 | 41.9 | 44.6 | -23.6 | 0 | 0 | 0 | 119.2 | ||||
| 148 | N | 30.6 | Very low | 32.8 | Very low | 143 Ų | 143 | 144 Ų | 144 | 77% | 0.765 | 81% | 0.81 | S | S | * | * | trans | 57.4 | 124.7 | 153.5 | -59.9 | -17.1 | 0 | 0 | 0 | 119.5 | ||||
| 149 | V | 31.6 | Very low | 33.9 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | 67.4 | 102.8 | 52.6 | -177.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 150 | L | 32 | Very low | 33.7 | Very low | 170 Ų | 170 | 138.7 Ų | 138.7 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | -160.9 | 174.5 | 115.7 | -131.2 | 110.3 | 0 | 0 | 0 | 113 | |||||
| 151 | N | 32.2 | Very low | 33.5 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 84% | 0.84 | 82% | 0.82 | S | S | * | * | trans | -92 | 152.1 | -173.5 | -159.4 | 1.5 | 0 | 0 | 0 | 111.9 | ||||
| 152 | G | 29.3 | Very low | 33.5 | Very low | 68 Ų | 68 | 139.1 Ų | 139.1 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | trans | -158.5 | 133.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 153 | Q | 31.1 | Very low | 33.5 | Very low | 198 Ų | 198 | 145.5 Ų | 145.5 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | trans | -91 | 148 | -170.9 | -64.3 | 165.9 | -54.2 | 0 | 0 | 113.2 | ||||
| 154 | M | 31.9 | Very low | 33.3 | Very low | 196 Ų | 196 | 144.2 Ų | 144.2 | 97% | 0.966 | 84% | 0.838 | S | S | * | * | trans | -82.2 | 140.8 | 167.4 | -69.3 | -175.4 | -76.5 | 0 | 0 | 111.5 | ||||
| 155 | R | 31.9 | Very low | 33 | Very low | 250 Ų | 250 | 146.6 Ų | 146.6 | 94% | 0.943 | 84% | 0.839 | S | S | * | * | trans | -136.7 | 142.2 | 169.6 | -172.4 | 170.9 | 176.7 | 166.2 | -1.5 | 109.8 | ||||
| 156 | L | 39 | Very low | 32.9 | Very low | 182 Ų | 182 | 146.6 Ų | 146.6 | 95% | 0.953 | 83% | 0.828 | S | S | * | * | trans | -77.4 | 151.8 | -168.4 | -64.9 | 166.1 | 0 | 0 | 0 | 113.8 | ||||
| 157 | G | 27.2 | Very low | 32.9 | Very low | 75 Ų | 75 | 148.3 Ų | 148.3 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | trans | -160.3 | 126.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 158 | L | 34.3 | Very low | 31.8 | Very low | 174 Ų | 174 | 149.9 Ų | 149.9 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | trans | -147.9 | 170 | 171.2 | -82.8 | 176.5 | 0 | 0 | 0 | 106.2 | ||||
| 159 | P | 51.3 | Low | 31.7 | Very low | 124 Ų | 124 | 151.3 Ų | 151.3 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | cis | -127.5 | -167.6 | -1.2 | 37.8 | -19.3 | 0 | 0 | 0 | 113.2 | ||||
| 160 | G | 29.6 | Very low | 31.6 | Very low | 77 Ų | 77 | 151.6 Ų | 151.6 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | -166.1 | 133.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 161 | E | 31.4 | Very low | 31.5 | Very low | 177 Ų | 177 | 150.9 Ų | 150.9 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | -104.9 | 167.4 | -175.3 | -56.5 | -178.2 | 127.9 | 0 | 0 | 112.6 | ||||
| 162 | V | 32.3 | Very low | 31.1 | Very low | 143 Ų | 143 | 149.1 Ų | 149.1 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | -179 | 160.1 | 126.4 | 147.1 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 163 | F | 30.9 | Very low | 31 | Very low | 199 Ų | 199 | 151.3 Ų | 151.3 | 87% | 0.873 | 80% | 0.8 | S | S | * | * | trans | -80.2 | 161.9 | -164.2 | -81.1 | -115.5 | 0 | 0 | 0 | 116.6 | ||||
| 164 | G | 28.3 | Very low | 30.9 | Very low | 82 Ų | 82 | 147.2 Ų | 147.2 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | trans | -175.7 | 73.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 165 | R | 27.5 | Very low | 31.6 | Very low | 238 Ų | 238 | 143.4 Ų | 143.4 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | trans | -107.3 | 160.6 | 164.9 | -96.4 | -166.4 | -178.3 | -176.1 | 0.5 | 108.8 | ||||
| 166 | S | 27.3 | Very low | 31.6 | Very low | 75 Ų | 75 | 142.6 Ų | 142.6 | 52% | 0.524 | 78% | 0.781 | S | S | . | * | cis | -179.3 | 162.5 | -25.1 | 50.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 167 | E | 30.1 | Very low | 31.2 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | 70.2 | 158.2 | 160.6 | -70.9 | -179.9 | 109.4 | 0 | 0 | 116.9 | ||||
| 168 | Q | 28.8 | Very low | 31.4 | Very low | 138 Ų | 138 | 144.2 Ų | 144.2 | 65% | 0.645 | 78% | 0.778 | S | S | * | * | cis | -159.7 | 175.6 | 4.7 | -128.9 | 172.6 | 33.3 | 0 | 0 | 113 | ||||
| 169 | Y | 26.7 | Very low | 32 | Very low | 174 Ų | 174 | 141.3 Ų | 141.3 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | trans | 87.2 | 116.8 | 150.9 | -90.3 | -139 | 0 | 0 | 0 | 124.1 | ||||
| 170 | H | 30.2 | Very low | 31 | Very low | 129 Ų | 129 | 145.8 Ų | 145.8 | 60% | 0.597 | 77% | 0.772 | S | S | * | * | 75 | 150.4 | 126.2 | -71.7 | 31.7 | 0 | 0 | 0 | 119.9 | |||||
| 171 | Q | 29.4 | Very low | 31.3 | Very low | 156 Ų | 156 | 147 Ų | 147 | 73% | 0.729 | 77% | 0.768 | S | S | * | * | cis | -160.5 | 159.2 | -4.7 | -118.9 | -176.4 | 11.2 | 0 | 0 | 114 | ||||
| 172 | V | 25.3 | Very low | 31.3 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | trans | 32.9 | 125.4 | 153.1 | -166.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 173 | S | 27.1 | Very low | 31.4 | Very low | 114 Ų | 114 | 141.4 Ų | 141.4 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | 174.3 | 148.3 | 119.4 | -77.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 174 | S | 29 | Very low | 31.5 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | -136.1 | 170.6 | 172.3 | -50.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 175 | P | 46.4 | Very low | 31.8 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | -148.6 | 140.7 | 114.8 | 35.4 | -19.3 | 0 | 0 | 0 | 117.2 | |||||
| 176 | R | 31 | Very low | 32.1 | Very low | 233 Ų | 233 | 138.8 Ų | 138.8 | 88% | 0.879 | 75% | 0.75 | S | S | * | * | trans | 34.2 | 133.4 | 135.8 | -58.5 | 176.3 | 170.9 | 173.5 | -4.2 | 119.1 | ||||
| 177 | T | 31.7 | Very low | 32.3 | Very low | 134 Ų | 134 | 141.1 Ų | 141.1 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | -161.6 | 139.2 | 62.6 | 37.5 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 178 | D | 29.9 | Very low | 32.3 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | trans | -114.4 | 165.6 | 167.5 | -63 | -68.9 | 0 | 0 | 0 | 111.2 | ||||
| 179 | P | 47.5 | Very low | 32.5 | Very low | 114 Ų | 114 | 144.4 Ų | 144.4 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | -139.8 | 133.9 | 123.2 | 18.7 | 2.6 | 0 | 0 | 0 | 115.9 | |||||
| 180 | Y | 30.5 | Very low | 32.7 | Very low | 218 Ų | 218 | 139.9 Ų | 139.9 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | 59.8 | 111.4 | 156.7 | -72 | -106.2 | 0 | 0 | 0 | 117.8 | ||||
| 181 | S | 35.2 | Very low | 32.8 | Very low | 103 Ų | 103 | 139.7 Ų | 139.7 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | 71.4 | 143.3 | 52.2 | 91.4 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 182 | A | 32.8 | Very low | 33 | Very low | 97 Ų | 97 | 140.7 Ų | 140.7 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | cis | -150.9 | -173.8 | 7.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 183 | A | 33.3 | Very low | 33.3 | Very low | 104 Ų | 104 | 141.6 Ų | 141.6 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | cis | -150.8 | 175.6 | 5.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 184 | Q | 32.7 | Very low | 33.6 | Very low | 157 Ų | 157 | 145 Ų | 145 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -124 | 137.6 | -172.6 | 169.5 | -178.4 | -38.4 | 0 | 0 | 112.4 | ||||
| 185 | L | 34.7 | Very low | 33.9 | Very low | 177 Ų | 177 | 145.5 Ų | 145.5 | 93% | 0.927 | 79% | 0.79 | S | S | * | * | trans | -143.3 | 168.7 | 152.4 | -96.6 | 179.2 | 0 | 0 | 0 | 110.2 | ||||
| 186 | H | 34.1 | Very low | 33.5 | Very low | 130 Ų | 130 | 149 Ų | 149 | 60% | 0.602 | 80% | 0.799 | S | S | * | * | trans | -145.7 | 140.5 | -130.9 | -160.4 | 74.9 | 0 | 0 | 0 | 114.9 | ||||
| 187 | N | 32.8 | Very low | 33.6 | Very low | 124 Ų | 124 | 141 Ų | 141 | 66% | 0.663 | 79% | 0.789 | S | S | * | * | trans | 64.2 | 162.3 | 167.6 | -77.5 | -21 | 0 | 0 | 0 | 117.2 | ||||
| 188 | Q | 30 | Very low | 33.8 | Very low | 149 Ų | 149 | 142.9 Ų | 142.9 | 70% | 0.696 | 79% | 0.791 | S | S | * | * | cis | -148.4 | 175 | 4.3 | -141.7 | 171.6 | 12.6 | 0 | 0 | 112.6 | ||||
| 189 | Y | 32.8 | Very low | 34 | Very low | 216 Ų | 216 | 143.1 Ų | 143.1 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | trans | 102.3 | 99.7 | 171.2 | -66.8 | -71.1 | 0 | 0 | 0 | 116.7 | ||||
| 190 | G | 29.8 | Very low | 33.8 | Very low | 79 Ų | 79 | 145.7 Ų | 145.7 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 141 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 191 | S | 33 | Very low | 33.9 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 143.5 | 168.4 | -168.2 | 0 | 0 | 0 | 0 | 110.7 | ||
| 192 | M | 33 | Very low | 34.2 | Very low | 177 Ų | 177 | 139.5 Ų | 139.5 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 131.9 | -176.4 | -65.7 | -175.5 | -175.3 | 0 | 0 | 112.1 | ||
| 193 | N | 32.1 | Very low | 34.3 | Very low | 139 Ų | 139 | 142.5 Ų | 142.5 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 130.1 | 178.7 | -174.8 | 3.7 | 0 | 0 | 0 | 111.3 | N195 | N193-N195 PolarHBondContact OD1-N 3.35Š|
| 194 | M | 34.2 | Very low | 34.7 | Very low | 185 Ų | 185 | 147 Ų | 147 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | trans | -118.3 | 64.4 | 173.4 | -80.5 | -75.8 | -177 | 0 | 0 | 110.1 | M196 | M194-M196 PolarHBondContact O-N 3.13Š| ||
| 195 | N | 35.3 | Very low | 34.9 | Very low | 123 Ų | 123 | 147.2 Ų | 147.2 | 66% | 0.658 | 80% | 0.797 | S | S | * | * | trans | -84.8 | 106.7 | 172.9 | -179.3 | 17.7 | 0 | 0 | 0 | 110.6 | N193 | N193-N195 PolarHBondContact OD1-N 3.35Š| ||
| 196 | M | 36.2 | Very low | 35.2 | Very low | 188 Ų | 188 | 147.4 Ų | 147.4 | 93% | 0.926 | 79% | 0.793 | S | S | * | * | trans | -113.9 | 119.4 | 153.1 | -86.5 | -168.3 | 165.1 | 0 | 0 | 108.2 | M194 | M194-M196 PolarHBondContact O-N 3.13Š| ||
| 197 | G | 34.1 | Very low | 35.6 | Very low | 65 Ų | 65 | 148.3 Ų | 148.3 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | trans | -68.8 | 145.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 198 | M | 36.3 | Very low | 36.3 | Very low | 175 Ų | 175 | 147 Ų | 147 | 86% | 0.862 | 80% | 0.796 | S | S | * | * | trans | -71.2 | 130.6 | 165 | -63.4 | -175 | -176.4 | 0 | 0 | 109.4 | M200 | M198-M200 HydrophobicContact SD-CE 4.47Š| ||
| 199 | N | 34.3 | Very low | 37.1 | Very low | 162 Ų | 162 | 141.6 Ų | 141.6 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | trans | -126.4 | 126.8 | 159.3 | -160.6 | -5.2 | 0 | 0 | 0 | 108.1 | ||||
| 200 | M | 43 | Very low | 37.8 | Very low | 167 Ų | 167 | 133.4 Ų | 133.4 | 82% | 0.823 | 76% | 0.756 | S | S | * | * | trans | -93.2 | 108.5 | -167.9 | -70.5 | -74 | -165.7 | 0 | 0 | 110.5 | M198 | M198-M200 HydrophobicContact SD-CE 4.47Š| ||
| 201 | A | 31.9 | Very low | 38.5 | Very low | 90 Ų | 90 | 133.9 Ų | 133.9 | 74% | 0.744 | 74% | 0.736 | S | S | * | * | trans | -122.7 | 126.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | H203 | A201-H203 PolarHBondContact O-N 3.38Š| ||
| 202 | A | 42 | Very low | 39.2 | Very low | 102 Ų | 102 | 133.6 Ų | 133.6 | 84% | 0.843 | 72% | 0.72 | S | S | * | * | trans | -84.8 | 102.7 | -167.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 203 | H | 35.1 | Very low | 39.9 | Very low | 159 Ų | 159 | 133.6 Ų | 133.6 | 74% | 0.736 | 71% | 0.71 | S | S | * | * | trans | -130.3 | 143.2 | 160.7 | -80.1 | -81.6 | 0 | 0 | 0 | 110.9 | A201 H205 | A201-H203 PolarHBondContact O-N 3.38Å; H203-H205 PolarHBondContact O-N 3.34Å | ||
| 204 | H | 41.2 | Very low | 40.3 | Very low | 200 Ų | 200 | 134 Ų | 134 | 93% | 0.926 | 70% | 0.702 | S | S | * | * | trans | -70.2 | 86.9 | -172.3 | -78.1 | -109.4 | 0 | 0 | 0 | 112.8 | ||||
| 205 | H | 36.9 | Very low | 40.9 | Very low | 161 Ų | 161 | 130 Ų | 130 | 75% | 0.745 | 68% | 0.682 | S | S | * | * | trans | -97.8 | 123.1 | 167.9 | -75.8 | -78.7 | 0 | 0 | 0 | 111.5 | H203 H207 | H203-H205 PolarHBondContact O-N 3.34Å; H205-H207 PolarHBondContact O-N 2.93Å | ||
| 206 | H | 41.7 | Very low | 41.6 | Very low | 181 Ų | 181 | 133.7 Ų | 133.7 | 84% | 0.838 | 69% | 0.687 | S | S | * | * | trans | -60 | 110.2 | 171.7 | -81.7 | -104.1 | 0 | 0 | 0 | 110.3 | ||||
| 207 | H | 40.8 | Very low | 42 | Very low | 149 Ų | 149 | 131.4 Ų | 131.4 | 69% | 0.69 | 67% | 0.674 | S | S | * | * | trans | -55.4 | 137.1 | 177.7 | -77.1 | -87.6 | 0 | 0 | 0 | 111.6 | H205 G209 A210 | H205-H207 PolarHBondContact O-N 2.93Å; H207-G209 PolarHBondContact O-N 2.7Å; H207-G209 VanDerWaalsContact O-N 3.09Å; H207-A210 VanDerWaalsContact O-CB 3.3Å; H207-A210 WeakPolarHBondContact O-CB 3.46Å; H207-A210 PolarHBondContact O-N 3.04Å | ||
| 208 | P | 48.5 | Very low | 42.5 | Very low | 97 Ų | 97 | 135.1 Ų | 135.1 | 63% | 0.63 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -53.3 | -32.4 | 169.8 | -27.7 | 35.3 | 0 | 0 | 0 | 113 | A210 F211 F212 | P208-A210 PolarHBondContact O-N 3.29Å; P208-F211 WeakPolarHBondContact O-CB 3.45Å; P208-F211 PolarHBondContact O-N 3.46Å; P208-F211 VanDerWaalsContact O-N 3.12Å; P208-F212 VanDerWaalsContact O-CD2 3.25Å; P208-F212 WeakPolarHBondContact O-CD2 3.46Å; P208-F212 PolarHBondContact O-N 3.16Å |
| 209 | G | 46.8 | Very low | 42.9 | Very low | 34 Ų | 34 | 131.2 Ų | 131.2 | 35% | 0.351 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -59.4 | -25 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | H207 R213 | H207-G209 PolarHBondContact O-N 2.7Å; H207-G209 VanDerWaalsContact O-N 3.09Å; G209-R213 WeakPolarHBondContact O-CG 3.47Å; G209-R213 PolarHBondContact O-N 2.95Å |
| 210 | A | 48.7 | Very low | 43.5 | Very low | 44 Ų | 44 | 130.4 Ų | 130.4 | 36% | 0.364 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -69.8 | -39.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | H207 P208 R213 Y214 | H207-A210 VanDerWaalsContact O-CB 3.3Å; H207-A210 WeakPolarHBondContact O-CB 3.46Å; H207-A210 PolarHBondContact O-N 3.04Å; P208-A210 PolarHBondContact O-N 3.29Å; A210-R213 PolarHBondContact O-N 2.8Å; A210-Y214 WeakPolarHBondContact O-CB 3.46Å; A210-Y214 PolarHBondContact O-N 3.49Å |
| 211 | F | 44.5 | Very low | 43.7 | Very low | 90 Ų | 90 | 131.5 Ų | 131.5 | 40% | 0.395 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -64.3 | -43.9 | 173.9 | -179.6 | -99.5 | 0 | 0 | 0 | 111.5 | P208 R213 Y214 M215 | P208-F211 WeakPolarHBondContact O-CB 3.45Å; P208-F211 PolarHBondContact O-N 3.46Å; P208-F211 VanDerWaalsContact O-N 3.12Å; F211-R213 PolarHBondContact O-N 3.2Å; F211-Y214 PolarHBondContact O-N 3.31Å; F211-M215 HydrophobicContact CD1-CG 4.31Å; F211-M215 HydrophobicContact CE1-CG 3.93Å; F211-M215 HydrophobicContact CE2-CG 4.16Å; F211-M215 HydrophobicContact CZ-CG 3.84Å; F211-M215 HydrophobicContact CZ-SD 4.19Å; F211-M215 WeakPolarHBondContact O-CB 3.44Å; F211-M215 WeakPolarHBondContact O-CG 3.49Å; F211-M215 PolarHBondContact O-N 3.44Å |
| 212 | F | 46.8 | Very low | 44.8 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 52% | 0.518 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -65.5 | -33.3 | 175.1 | -73.6 | -72.7 | 0 | 0 | 0 | 113.5 | P208 R216 P302 | P208-F212 VanDerWaalsContact O-CD2 3.25Å; P208-F212 WeakPolarHBondContact O-CD2 3.46Å; P208-F212 PolarHBondContact O-N 3.16Å; F212-R216 WeakPolarHBondContact O-CB 3.28Å; F212-R216 PolarHBondContact O-N 3.18Å; F212-P302 HydrophobicContact CE1-CG 3.82Å; F212-P302 HydrophobicContact CZ-CG 4.35Å |
| 213 | R | 47.8 | Very low | 46.1 | Very low | 176 Ų | 176 | 136.1 Ų | 136.1 | 66% | 0.664 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -66.4 | -51.6 | 169.7 | -76 | 179.4 | -158.9 | 153.8 | 4.7 | 111 | G209 A210 F211 M215 R216 Q217 | G209-R213 WeakPolarHBondContact O-CG 3.47Å; G209-R213 PolarHBondContact O-N 2.95Å; A210-R213 PolarHBondContact O-N 2.8Å; F211-R213 PolarHBondContact O-N 3.2Å; R213-M215 PolarHBondContact O-N 2.91Å; R213-R216 CarbonylContact O-C 3.57Å; R213-R216 WeakPolarHBondContact O-CA 3.46Å; R213-R216 WeakPolarHBondContact O-CB 3.18Å; R213-R216 PolarHBondContact O-N 3.14Å; R213-Q217 WeakPolarHBondContact O-CB 3.31Å; R213-Q217 PolarHBondContact O-N 2.64Å; R213-Q217 PolarHBondContact O-OE1 2.75Å |
| 214 | Y | 39.8 | Very low | 48.1 | Very low | 148 Ų | 148 | 130 Ų | 130 | 58% | 0.58 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -57.3 | -45.6 | -178.2 | -168.8 | -97.2 | 0 | 0 | 0 | 112.5 | A210 F211 R216 Q217 Q218 | A210-Y214 WeakPolarHBondContact O-CB 3.46Å; A210-Y214 PolarHBondContact O-N 3.49Å; F211-Y214 PolarHBondContact O-N 3.31Å; Y214-R216 PolarHBondContact O-N 2.98Å; Y214-Q217 WeakPolarHBondContact O-CB 3.34Å; Y214-Q217 PolarHBondContact O-N 3.45Å; Y214-Q218 PolarHBondContact OH-NE2 2.93Å |
| 215 | M | 46.9 | Very low | 49.9 | Very low | 101 Ų | 101 | 124.4 Ų | 124.4 | 50% | 0.498 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.1 | -22.3 | 174 | -71.5 | -73.8 | -71.2 | 0 | 0 | 113.8 | F211 R213 V311 | F211-M215 HydrophobicContact CD1-CG 4.31Å; F211-M215 HydrophobicContact CE1-CG 3.93Å; F211-M215 HydrophobicContact CE2-CG 4.16Å; F211-M215 HydrophobicContact CZ-CG 3.84Å; F211-M215 HydrophobicContact CZ-SD 4.19Å; F211-M215 WeakPolarHBondContact O-CB 3.44Å; F211-M215 WeakPolarHBondContact O-CG 3.49Å; F211-M215 PolarHBondContact O-N 3.44Å; R213-M215 PolarHBondContact O-N 2.91Å; M215-V311 HydrophobicContact CE-CG1 4.15Å |
| 216 | R | 50.8 | Low | 52.1 | Low | 200 Ų | 200 | 116.7 Ų | 116.7 | 76% | 0.755 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -89.4 | -18.9 | 171.7 | -170.4 | -172.2 | -73.5 | -153.8 | -2.5 | 112.2 | F212 R213 Y214 C219 | F212-R216 WeakPolarHBondContact O-CB 3.28Å; F212-R216 PolarHBondContact O-N 3.18Å; R213-R216 CarbonylContact O-C 3.57Å; R213-R216 WeakPolarHBondContact O-CA 3.46Å; R213-R216 WeakPolarHBondContact O-CB 3.18Å; R213-R216 PolarHBondContact O-N 3.14Å; Y214-R216 PolarHBondContact O-N 2.98Å; R216-C219 PolarHBondContact O-SG 3.36Å |
| 217 | Q | 44.1 | Very low | 54 | Low | 141 Ų | 141 | 111.4 Ų | 111.4 | 66% | 0.659 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -79.8 | -28 | -173.4 | -125.8 | 72.3 | 72.1 | 0 | 0 | 113.1 | R213 Y214 C219 | R213-Q217 WeakPolarHBondContact O-CB 3.31Å; R213-Q217 PolarHBondContact O-N 2.64Å; R213-Q217 PolarHBondContact O-OE1 2.75Å; Y214-Q217 WeakPolarHBondContact O-CB 3.34Å; Y214-Q217 PolarHBondContact O-N 3.45Å; Q217-C219 VanDerWaalsContact C-N 3.27Å; Q217-C219 PolarHBondContact O-N 2.94Å |
| 218 | Q | 45.4 | Very low | 55.8 | Low | 143 Ų | 143 | 104.4 Ų | 104.4 | 67% | 0.668 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 31.7 | 178.1 | -63.4 | -158.5 | -0.5 | 0 | 0 | 113.9 | Y214 I220 | Y214-Q218 PolarHBondContact OH-NE2 2.93Å; Q218-I220 VanDerWaalsContact C-N 3.29Å; Q218-I220 PolarHBondContact O-N 3.47Å |
| 219 | C | 44.4 | Very low | 57.2 | Low | 93 Ų | 93 | 101.4 Ų | 101.4 | 63% | 0.628 | 48% | 0.479 | S | S | * | . | trans | -70.7 | 87.3 | 163.7 | -68 | 0 | 0 | 0 | 0 | 110 | R216 Q217 K221 | R216-C219 PolarHBondContact O-SG 3.36Å; Q217-C219 VanDerWaalsContact C-N 3.27Å; Q217-C219 PolarHBondContact O-N 2.94Å; C219-K221 PolarHBondContact O-N 3.14Å | ||
| 220 | I | 46.8 | Very low | 58.2 | Low | 145 Ų | 145 | 102.4 Ų | 102.4 | 74% | 0.744 | 48% | 0.477 | S | S | * | . | trans | -48.1 | 130.5 | 139 | -65.1 | 162.3 | 0 | 0 | 0 | 105.5 | Q218 Q222 | Q218-I220 VanDerWaalsContact C-N 3.29Å; Q218-I220 PolarHBondContact O-N 3.47Å; I220-Q222 PolarHBondContact O-N 3.19Å | ||
| 221 | K | 46.4 | Very low | 58.9 | Low | 189 Ų | 189 | 103.5 Ų | 103.5 | 82% | 0.822 | 48% | 0.48 | S | S | * | . | trans | -68.3 | 78.6 | -178.8 | -67.9 | -177.1 | 179.9 | -179.8 | 0 | 110.3 | C219 E223 | C219-K221 PolarHBondContact O-N 3.14Å; K221-E223 PolarHBondContact O-N 3.32Å; K221-E223 VanDerWaalsContact O-N 3.13Å | ||
| 222 | Q | 54.5 | Low | 59.5 | Low | 150 Ų | 150 | 107.4 Ų | 107.4 | 70% | 0.701 | 50% | 0.499 | S | S | * | . | trans | -71.8 | 100.6 | 166.5 | -69 | -170.1 | -30.1 | 0 | 0 | 107 | I220 L224 | I220-Q222 PolarHBondContact O-N 3.19Å; Q222-L224 WeakPolarHBondContact O-CG 3.41Å; Q222-L224 PolarHBondContact O-N 2.95Å | ||
| 223 | E | 69.8 | Low | 59.7 | Low | 139 Ų | 139 | 104.1 Ų | 104.1 | 65% | 0.65 | 49% | 0.486 | S | S | * | . | trans | -68.1 | 112 | 175.5 | -62.1 | -172.5 | 160.9 | 0 | 0 | 108.7 | K221 I225 T244 | K221-E223 PolarHBondContact O-N 3.32Å; K221-E223 VanDerWaalsContact O-N 3.13Å; E223-I225 PolarHBondContact O-N 3.47Å; E223-I225 VanDerWaalsContact O-N 3.16Å; E223-T244 HydrophobicContact CB-CG2 4.32Å | ||
| 224 | L | 76.8 | Confident | 60 | Low | 32 Ų | 32 | 101.6 Ų | 101.6 | 17% | 0.168 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 95.7 | -172 | -64.1 | 176.2 | 0 | 0 | 0 | 109.1 | Q222 F245 M248 L251 | Q222-L224 WeakPolarHBondContact O-CG 3.41Å; Q222-L224 PolarHBondContact O-N 2.95Å; L224-F245 HydrophobicContact CB-CB 4.35Å; L224-F245 PolarHBondContact N-O 3.3Å; L224-F245 VanDerWaalsContact N-O 3.14Å; L224-F245 WeakPolarHBondContact O-CD2 3.27Å; L224-F245 PolarHBondContact O-N 2.85Å; L224-M248 VanDerWaalsContact CD1-CA 3.42Å; L224-M248 HydrophobicContact CD1-CB 3.79Å; L224-M248 HydrophobicContact CD1-CE 3.54Å; L224-M248 HydrophobicContact CD1-CG 4.42Å; L224-M248 HydrophobicContact CD1-SD 3.85Å; L224-M248 HydrophobicContact CD2-CE 3.61Å; L224-M248 HydrophobicContact CG-CE 4.21Å; L224-L251 HydrophobicContact CB-CD2 3.91Å |
| 225 | I | 80.7 | Confident | 60.7 | Low | 81 Ų | 81 | 100 Ų | 100 | 42% | 0.415 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 126.5 | -178.8 | -61.3 | 161.5 | 0 | 0 | 0 | 109.8 | E223 K227 T244 | E223-I225 PolarHBondContact O-N 3.47Å; E223-I225 VanDerWaalsContact O-N 3.16Å; I225-K227 HydrophobicContact CG2-CG 4.33Å; I225-T244 HydrophobicContact CG1-CG2 3.75Å |
| 226 | C | 82.1 | Confident | 60.8 | Low | 0 Ų | 0 | 98.8 Ų | 98.8 | 0% | 0 | 49% | 0.49 | C | S | . | . | trans | -71.7 | 130.6 | 164.1 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | C241 N242 K243 F245 L251 H254 | C226-C241 CarbonylContact C-O 3.4Å; C226-C241 WeakPolarHBondContact CB-O 3.37Å; C226-C241 CarbonylContact O-C 3.19Å; C226-N242 WeakPolarHBondContact O-CA 3.18Å; C226-K243 PolarHBondContact N-O 2.9Å; C226-F245 HydrophobicContact CB-CE2 4.12Å; C226-L251 HydrophobicContact CB-CD1 3.52Å; C226-H254 PolarHBondContact SG-NE2 3.29Å | ||
| 227 | K | 81.3 | Confident | 60.8 | Low | 69 Ų | 69 | 93.6 Ų | 93.6 | 30% | 0.3 | 48% | 0.483 | S | S | . | . | trans | -119.1 | 41.2 | 175.5 | -72.5 | 176.4 | 149.7 | -122.9 | 0 | 111.1 | I225 W272 E273 D274 | I225-K227 HydrophobicContact CG2-CG 4.33Å; K227-W272 HydrophobicContact CB-CD2 4.34Å; K227-W272 HydrophobicContact CB-CZ2 3.84Å; K227-W272 HydrophobicContact CG-CZ2 4.49Å; K227-E273 HydrophobicContact CB-CB 4.27Å; K227-E273 WeakPolarHBondContact CD-OE2 3.31Å; K227-E273 VanDerWaalsContact CE-OE2 3.31Å; K227-E273 WeakPolarHBondContact CE-OE2 3.29Å; K227-E273 IonicContact NZ-OE1 3.99Å; K227-E273 IonicContact NZ-OE2 3.08Å; K227-E273 PolarHBondContact NZ-OE2 2.95Å; K227-E273 PolarHBondContact O-N 3.35Å; K227-E273 VanDerWaalsContact O-N 3.17Å; K227-D274 IonicContact NZ-OD2 3.23Å | ||
| 228 | W | 79.8 | Confident | 61.3 | Low | 2 Ų | 2 | 95.6 Ų | 95.6 | 1% | 0.008 | 49% | 0.489 | C | S | . | . | B | Isolated β-bridge | trans | -80.7 | 134.9 | 175.6 | -162.9 | -83 | 0 | 0 | 0 | 110.7 | C240 C241 V255 H259 V260 I269 F271 W272 L288 I292 | W228-C240 CarbonylContact O-C 3.49Å; W228-C240 VanDerWaalsContact O-CA 3.25Å; W228-C240 WeakPolarHBondContact O-CA 3.44Å; W228-C241 PolarHBondContact O-N 3.3Å; W228-V255 HydrophobicContact CD2-CG1 4.34Å; W228-V255 HydrophobicContact CE3-CG1 3.56Å; W228-V255 HydrophobicContact CH2-CG1 4.48Å; W228-V255 HydrophobicContact CZ3-CG1 3.65Å; W228-H259 AromaticContact CD1-CE1 3.95Å; W228-H259 AromaticContact CD1-CG 3.42Å; W228-H259 VanDerWaalsContact CD1-CG 3.42Å; W228-H259 AromaticContact CD1-ND1 3.31Å; W228-H259 VanDerWaalsContact CD1-ND1 3.31Å; W228-H259 HydrophobicContact CD2-CB 3.78Å; W228-H259 HydrophobicContact CE3-CB 4.49Å; W228-H259 HydrophobicContact CG-CB 3.83Å; W228-H259 AromaticContact CG-CD2 3.86Å; W228-H259 AromaticContact CG-CG 3.56Å; W228-H259 AromaticContact CG-ND1 3.82Å; W228-H259 HydrophobicContact CZ2-CB 4.17Å; W228-H259 AromaticContact NE1-CG 3.86Å; W228-H259 AromaticContact NE1-ND1 3.92Å; W228-V260 HydrophobicContact CH2-CG2 4.09Å; W228-I269 VanDerWaalsContact CH2-O 3.31Å; W228-I269 WeakPolarHBondContact CH2-O 3.27Å; W228-I269 WeakPolarHBondContact CZ2-O 3.37Å; W228-F271 HydrophobicContact CZ2-CB 4.24Å; W228-F271 AromaticContact CZ2-CD2 3.86Å; W228-F271 HydrophobicContact CZ2-CD2 3.86Å; W228-F271 AromaticContact NE1-CD2 3.98Å; W228-W272 HydrophobicContact CE3-CE3 4.25Å; W228-L288 HydrophobicContact CH2-CD1 4.39Å; W228-L288 HydrophobicContact CH2-CD2 4.24Å; W228-I292 HydrophobicContact CZ3-CD1 4.02Å; W228-I292 HydrophobicContact CZ3-CG1 4.15Å |
| 229 | I | 77.9 | Confident | 62 | Low | 35 Ų | 35 | 94 Ų | 94 | 18% | 0.179 | 48% | 0.48 | C | S | . | . | B | Isolated β-bridge | trans | -102.9 | 123.2 | 174.8 | -58.3 | 173.8 | 0 | 0 | 0 | 107.7 | C240 F271 E273 | I229-C240 HydrophobicContact CG1-CB 4.44Å; I229-F271 HydrophobicContact CB-CB 4.48Å; I229-F271 PolarHBondContact N-O 3.08Å; I229-F271 WeakPolarHBondContact O-CB 3.39Å; I229-E273 HydrophobicContact CD1-CB 4.32Å |
| 230 | D | 67.8 | Low | 63.2 | Low | 55 Ų | 55 | 91 Ų | 91 | 29% | 0.294 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -77 | 131.3 | -178.9 | -69.3 | -48.7 | 0 | 0 | 0 | 111.4 | E232 Q233 H259 | D230-E232 VanDerWaalsContact C-N 3.25Å; D230-E232 PolarHBondContact O-N 3.12Å; D230-Q233 PolarHBondContact O-N 3.34Å; D230-H259 IonicContact OD1-CE1 3.68Å; D230-H259 PolarHBondContact OD1-CE1 2.88Å; D230-H259 VanDerWaalsContact OD1-CE1 3.23Å; D230-H259 IonicContact OD1-CG 2.95Å; D230-H259 IonicContact OD1-ND1 2.66Å; D230-H259 PolarHBondContact OD1-ND1 2.57Å; D230-H259 IonicContact OD2-CE1 3.31Å |
| 231 | P | 61.7 | Low | 64.5 | Low | 67 Ų | 67 | 85 Ų | 85 | 44% | 0.435 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -65.2 | -25.7 | -168.5 | 23.1 | -33.5 | 0 | 0 | 0 | 114.1 | Q233 F271 | P231-Q233 PolarHBondContact O-N 2.94Å; P231-F271 HydrophobicContact CB-CD2 4.39Å; P231-F271 HydrophobicContact CB-CE1 4.29Å; P231-F271 HydrophobicContact CB-CE2 3.88Å; P231-F271 HydrophobicContact CB-CZ 3.82Å; P231-F271 HydrophobicContact CG-CD2 4.35Å; P231-F271 HydrophobicContact CG-CE2 3.92Å; P231-F271 HydrophobicContact CG-CZ 4.35Å |
| 232 | E | 57.9 | Low | 66.1 | Low | 172 Ų | 172 | 80.7 Ų | 80.7 | 80% | 0.804 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -69.4 | -9.5 | 174.2 | -60.8 | -173.4 | 162.9 | 0 | 0 | 113.5 | D230 | D230-E232 VanDerWaalsContact C-N 3.25Å; D230-E232 PolarHBondContact O-N 3.12Å |
| 233 | Q | 51.5 | Low | 67.4 | Low | 49 Ų | 49 | 78 Ų | 78 | 23% | 0.229 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -114 | 18.7 | -176.2 | -52.9 | -60.1 | -54.1 | 0 | 0 | 112.7 | D230 P231 S235 N236 K239 | D230-Q233 PolarHBondContact O-N 3.34Å; P231-Q233 PolarHBondContact O-N 2.94Å; Q233-S235 PolarHBondContact O-N 3.23Å; Q233-N236 CarbonylContact O-C 3.6Å; Q233-N236 PolarHBondContact O-N 3.05Å; Q233-K239 HydrophobicContact CB-CB 4.15Å; Q233-K239 HydrophobicContact CB-CD 4.21Å; Q233-K239 HydrophobicContact CG-CB 4.19Å; Q233-K239 HydrophobicContact CG-CD 3.67Å; Q233-K239 VanDerWaalsContact OE1-CD 3.24Å |
| 234 | L | 53.2 | Low | 67.9 | Low | 123 Ų | 123 | 75.2 Ų | 75.2 | 64% | 0.644 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -20.1 | 176.2 | -110.8 | 74.5 | 0 | 0 | 0 | 114.1 | ||
| 235 | S | 54.2 | Low | 68.1 | Low | 113 Ų | 113 | 75.4 Ų | 75.4 | 79% | 0.79 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -13.8 | 173.1 | 55.4 | 0 | 0 | 0 | 0 | 114.3 | Q233 | Q233-S235 PolarHBondContact O-N 3.23Š|
| 236 | N | 49.2 | Very low | 67.8 | Low | 76 Ų | 76 | 76.3 Ų | 76.3 | 41% | 0.406 | 41% | 0.408 | S | S | . | . | trans | -148 | 86.3 | 178.3 | -174.2 | -3.2 | 0 | 0 | 0 | 110.7 | Q233 K238 K239 | Q233-N236 CarbonylContact O-C 3.6Å; Q233-N236 PolarHBondContact O-N 3.05Å; N236-K238 PolarHBondContact O-N 2.9Å; N236-K239 PolarHBondContact O-N 2.87Å | ||
| 237 | P | 52.4 | Low | 67.5 | Low | 91 Ų | 91 | 79.2 Ų | 79.2 | 59% | 0.591 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | 4.1 | -170.7 | 26.8 | -35.8 | 0 | 0 | 0 | 115.4 | K239 | P237-K239 PolarHBondContact O-N 3.09Š|
| 238 | K | 52.8 | Low | 67.1 | Low | 183 Ų | 183 | 78 Ų | 78 | 80% | 0.796 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -7 | 176.2 | -64.1 | -176.4 | 177.4 | -179 | 0 | 114.1 | N236 C240 | N236-K238 PolarHBondContact O-N 2.9Å; K238-C240 PolarHBondContact O-N 3.29Å |
| 239 | K | 60.3 | Low | 66.9 | Low | 110 Ų | 110 | 84 Ų | 84 | 48% | 0.478 | 45% | 0.449 | S | S | . | . | trans | -96.6 | 70.6 | 174.4 | -72.2 | 178.1 | -178.3 | 175.6 | 0 | 111.3 | Q233 N236 P237 | Q233-K239 HydrophobicContact CB-CB 4.15Å; Q233-K239 HydrophobicContact CB-CD 4.21Å; Q233-K239 HydrophobicContact CG-CB 4.19Å; Q233-K239 HydrophobicContact CG-CD 3.67Å; Q233-K239 VanDerWaalsContact OE1-CD 3.24Å; N236-K239 PolarHBondContact O-N 2.87Å; P237-K239 PolarHBondContact O-N 3.09Å | ||
| 240 | C | 70 | Confident | 67.1 | Low | 30 Ų | 30 | 85.4 Ų | 85.4 | 20% | 0.203 | 46% | 0.455 | C | S | . | . | B | Isolated β-bridge | trans | -91.2 | 143.8 | 161.5 | 44.7 | 0 | 0 | 0 | 0 | 110.3 | W228 I229 K238 N242 | W228-C240 CarbonylContact O-C 3.49Å; W228-C240 VanDerWaalsContact O-CA 3.25Å; W228-C240 WeakPolarHBondContact O-CA 3.44Å; I229-C240 HydrophobicContact CG1-CB 4.44Å; K238-C240 PolarHBondContact O-N 3.29Å; C240-N242 VanDerWaalsContact C-N 3.27Å; C240-N242 PolarHBondContact O-N 3.43Å; C240-N242 PolarHBondContact O-ND2 3.38Å; C240-N242 PolarHBondContact SG-ND2 3.49Å; C240-N242 PolarHBondContact SG-OD1 2.87Å |
| 241 | C | 74.1 | Confident | 67.7 | Low | 19 Ų | 19 | 82.9 Ų | 82.9 | 13% | 0.128 | 44% | 0.442 | C | S | . | . | trans | -79.4 | 71.7 | -176.5 | -170.6 | 0 | 0 | 0 | 0 | 111.4 | C226 W228 K243 H259 | C226-C241 CarbonylContact C-O 3.4Å; C226-C241 WeakPolarHBondContact CB-O 3.37Å; C226-C241 CarbonylContact O-C 3.19Å; W228-C241 PolarHBondContact O-N 3.3Å; C241-K243 PolarHBondContact O-N 2.64Å; C241-H259 WeakPolarHBondContact CB-CE1 3.36Å; C241-H259 WeakPolarHBondContact CB-NE2 3.41Å; C241-H259 PolarHBondContact SG-NE2 3.3Å | ||
| 242 | N | 79.6 | Confident | 68.5 | Low | 98 Ų | 98 | 80.1 Ų | 80.1 | 52% | 0.524 | 42% | 0.424 | S | S | . | . | trans | -69.1 | 35.1 | -174.1 | -63.4 | -52.7 | 0 | 0 | 0 | 115.3 | C226 C240 T244 | C226-N242 WeakPolarHBondContact O-CA 3.18Å; C240-N242 VanDerWaalsContact C-N 3.27Å; C240-N242 PolarHBondContact O-N 3.43Å; C240-N242 PolarHBondContact O-ND2 3.38Å; C240-N242 PolarHBondContact SG-ND2 3.49Å; C240-N242 PolarHBondContact SG-OD1 2.87Å; N242-T244 PolarHBondContact O-N 2.86Å | ||
| 243 | K | 81.4 | Confident | 69.6 | Low | 93 Ų | 93 | 74.9 Ų | 74.9 | 40% | 0.404 | 40% | 0.404 | S | S | . | . | trans | -67.9 | 129.3 | 174.9 | -63.7 | -177.7 | -170 | -175.6 | 0 | 109.6 | C226 C241 F245 E258 | C226-K243 PolarHBondContact N-O 2.9Å; C241-K243 PolarHBondContact O-N 2.64Å; K243-F245 HydrophobicContact CB-CE2 3.56Å; K243-F245 HydrophobicContact CB-CZ 3.56Å; K243-F245 HydrophobicContact CD-CZ 4.24Å; K243-F245 WeakPolarHBondContact O-CD2 3.34Å; K243-F245 VanDerWaalsContact O-CE2 3.31Å; K243-F245 WeakPolarHBondContact O-CE2 3.3Å; K243-E258 IonicContact NZ-OE1 3.95Å; K243-E258 IonicContact NZ-OE2 2.64Å; K243-E258 PolarHBondContact NZ-OE2 3.17Å | ||
| 244 | T | 80.7 | Confident | 71.1 | Confident | 82 Ų | 82 | 73.2 Ų | 73.2 | 50% | 0.503 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 143 | 174 | 43.3 | 0 | 0 | 0 | 0 | 111.1 | E223 I225 N242 | E223-T244 HydrophobicContact CB-CG2 4.32Å; I225-T244 HydrophobicContact CG1-CG2 3.75Å; N242-T244 PolarHBondContact O-N 2.86Å |
| 245 | F | 81.6 | Confident | 72.4 | Confident | 36 Ų | 36 | 67.3 Ų | 67.3 | 16% | 0.158 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 146.8 | -179.6 | -63.1 | -76.8 | 0 | 0 | 0 | 112.2 | L224 C226 K243 E250 L251 H254 | L224-F245 HydrophobicContact CB-CB 4.35Å; L224-F245 PolarHBondContact N-O 3.3Å; L224-F245 VanDerWaalsContact N-O 3.14Å; L224-F245 WeakPolarHBondContact O-CD2 3.27Å; L224-F245 PolarHBondContact O-N 2.85Å; C226-F245 HydrophobicContact CB-CE2 4.12Å; K243-F245 HydrophobicContact CB-CE2 3.56Å; K243-F245 HydrophobicContact CB-CZ 3.56Å; K243-F245 HydrophobicContact CD-CZ 4.24Å; K243-F245 WeakPolarHBondContact O-CD2 3.34Å; K243-F245 VanDerWaalsContact O-CE2 3.31Å; K243-F245 WeakPolarHBondContact O-CE2 3.3Å; F245-E250 HydrophobicContact CB-CB 4.04Å; F245-E250 HydrophobicContact CD1-CB 3.64Å; F245-E250 HydrophobicContact CG-CB 4.14Å; F245-L251 HydrophobicContact CB-CB 3.98Å; F245-L251 HydrophobicContact CD2-CB 3.73Å; F245-L251 HydrophobicContact CD2-CD1 3.65Å; F245-L251 HydrophobicContact CD2-CG 4.24Å; F245-L251 HydrophobicContact CE2-CD1 3.86Å; F245-L251 HydrophobicContact CG-CB 3.95Å; F245-H254 HydrophobicContact CE1-CB 3.84Å; F245-H254 HydrophobicContact CE2-CB 4.17Å; F245-H254 AromaticContact CE2-CD2 3.34Å; F245-H254 WeakPolarHBondContact CE2-CD2 3.31Å; F245-H254 AromaticContact CE2-CG 3.87Å; F245-H254 HydrophobicContact CZ-CB 3.49Å; F245-H254 VanDerWaalsContact CZ-CB 3.49Å; F245-H254 AromaticContact CZ-CD2 3.28Å; F245-H254 WeakPolarHBondContact CZ-CD2 3.33Å; F245-H254 AromaticContact CZ-CG 3.31Å |
| 246 | S | 73.8 | Confident | 73.5 | Confident | 100 Ų | 100 | 62.9 Ų | 62.9 | 70% | 0.699 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -88.2 | -28.8 | -176.1 | 78.3 | 0 | 0 | 0 | 0 | 112.4 | E250 | S246-E250 WeakPolarHBondContact CA-OE2 3.25Å; S246-E250 WeakPolarHBondContact CB-OE2 3.24Å; S246-E250 PolarHBondContact N-OE2 3.43Å; S246-E250 PolarHBondContact OG-OE1 3.47Å; S246-E250 PolarHBondContact OG-OE2 3.39Å |
| 247 | T | 77.1 | Confident | 74.9 | Confident | 60 Ų | 60 | 64.1 Ų | 64.1 | 37% | 0.368 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -125.2 | 152.2 | 169.7 | 78.4 | 0 | 0 | 0 | 0 | 112.2 | H249 E250 L251 | T247-H249 PolarHBondContact O-N 3.21Å; T247-E250 VanDerWaalsContact CB-OE1 3.27Å; T247-E250 WeakPolarHBondContact CB-OE1 3.38Å; T247-E250 WeakPolarHBondContact CG2-OE1 3.03Å; T247-E250 PolarHBondContact N-OE1 3.36Å; T247-E250 PolarHBondContact N-OE2 3.33Å; T247-E250 PolarHBondContact O-N 3.28Å; T247-E250 VanDerWaalsContact O-N 3.14Å; T247-E250 PolarHBondContact OG1-N 3.49Å; T247-E250 PolarHBondContact OG1-OE1 3.18Å; T247-L251 PolarHBondContact O-N 2.81Å |
| 248 | M | 71.4 | Confident | 76 | Confident | 43 Ų | 43 | 65.1 Ų | 65.1 | 21% | 0.212 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.4 | -23.5 | 176.5 | -170.5 | 58.2 | 76.5 | 0 | 0 | 113 | L224 L251 V252 T296 E298 | L224-M248 VanDerWaalsContact CD1-CA 3.42Å; L224-M248 HydrophobicContact CD1-CB 3.79Å; L224-M248 HydrophobicContact CD1-CE 3.54Å; L224-M248 HydrophobicContact CD1-CG 4.42Å; L224-M248 HydrophobicContact CD1-SD 3.85Å; L224-M248 HydrophobicContact CD2-CE 3.61Å; L224-M248 HydrophobicContact CG-CE 4.21Å; M248-L251 HydrophobicContact SD-CD2 4.3Å; M248-V252 WeakPolarHBondContact O-CG2 3.41Å; M248-V252 PolarHBondContact O-N 3.25Å; M248-T296 WeakPolarHBondContact CE-O 3.48Å; M248-T296 WeakPolarHBondContact SD-CB 3.32Å; M248-T296 HydrophobicContact SD-CG2 4.22Å; M248-T296 PolarHBondContact SD-OG1 3.44Å; M248-T296 VanDerWaalsContact SD-OG1 3.36Å; M248-E298 HydrophobicContact CB-CG 4.45Å; M248-E298 HydrophobicContact CG-CB 3.52Å; M248-E298 HydrophobicContact CG-CG 3.4Å; M248-E298 VanDerWaalsContact CG-CG 3.4Å; M248-E298 HydrophobicContact SD-CB 4.08Å |
| 249 | H | 76.4 | Confident | 77.2 | Confident | 128 Ų | 128 | 57.7 Ų | 57.7 | 59% | 0.593 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -69.5 | -44.8 | 174.9 | -171.8 | 60.4 | 0 | 0 | 0 | 111.2 | T247 L251 V252 T253 | T247-H249 PolarHBondContact O-N 3.21Å; H249-L251 PolarHBondContact O-N 2.87Å; H249-V252 PolarHBondContact O-N 3.23Å; H249-T253 WeakPolarHBondContact O-CG2 3.38Å; H249-T253 PolarHBondContact O-N 3.27Å; H249-T253 PolarHBondContact O-OG1 3.01Å; H249-T253 VanDerWaalsContact O-OG1 3.1Å |
| 250 | E | 80.8 | Confident | 77.8 | Confident | 65 Ų | 65 | 52.6 Ų | 52.6 | 30% | 0.304 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.3 | -45.5 | 177 | -69.2 | 136.2 | -133.3 | 0 | 0 | 112.4 | F245 S246 T247 V252 T253 H254 | F245-E250 HydrophobicContact CB-CB 4.04Å; F245-E250 HydrophobicContact CD1-CB 3.64Å; F245-E250 HydrophobicContact CG-CB 4.14Å; S246-E250 WeakPolarHBondContact CA-OE2 3.25Å; S246-E250 WeakPolarHBondContact CB-OE2 3.24Å; S246-E250 PolarHBondContact N-OE2 3.43Å; S246-E250 PolarHBondContact OG-OE1 3.47Å; S246-E250 PolarHBondContact OG-OE2 3.39Å; T247-E250 VanDerWaalsContact CB-OE1 3.27Å; T247-E250 WeakPolarHBondContact CB-OE1 3.38Å; T247-E250 WeakPolarHBondContact CG2-OE1 3.03Å; T247-E250 PolarHBondContact N-OE1 3.36Å; T247-E250 PolarHBondContact N-OE2 3.33Å; T247-E250 PolarHBondContact O-N 3.28Å; T247-E250 VanDerWaalsContact O-N 3.14Å; T247-E250 PolarHBondContact OG1-N 3.49Å; T247-E250 PolarHBondContact OG1-OE1 3.18Å; E250-V252 VanDerWaalsContact C-N 3.34Å; E250-V252 PolarHBondContact O-N 3.39Å; E250-T253 WeakPolarHBondContact CA-OG1 3.28Å; E250-T253 PolarHBondContact O-N 3.42Å; E250-T253 PolarHBondContact O-OG1 3.06Å; E250-T253 VanDerWaalsContact O-OG1 3.06Å; E250-H254 VanDerWaalsContact O-CB 3.28Å; E250-H254 WeakPolarHBondContact O-CB 3.49Å; E250-H254 PolarHBondContact O-N 2.88Å |
| 251 | L | 81.9 | Confident | 77.5 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.5 | -46.2 | 176.8 | 171.8 | 56.9 | 0 | 0 | 0 | 111.2 | L224 C226 F245 T247 M248 H249 V255 T296 | L224-L251 HydrophobicContact CB-CD2 3.91Å; C226-L251 HydrophobicContact CB-CD1 3.52Å; F245-L251 HydrophobicContact CB-CB 3.98Å; F245-L251 HydrophobicContact CD2-CB 3.73Å; F245-L251 HydrophobicContact CD2-CD1 3.65Å; F245-L251 HydrophobicContact CD2-CG 4.24Å; F245-L251 HydrophobicContact CE2-CD1 3.86Å; F245-L251 HydrophobicContact CG-CB 3.95Å; T247-L251 PolarHBondContact O-N 2.81Å; M248-L251 HydrophobicContact SD-CD2 4.3Å; H249-L251 PolarHBondContact O-N 2.87Å; L251-V255 HydrophobicContact CD1-CG2 3.96Å; L251-V255 WeakPolarHBondContact O-CG2 3.09Å; L251-V255 PolarHBondContact O-N 3.1Å; L251-T296 HydrophobicContact CD2-CG2 3.56Å; L251-T296 HydrophobicContact CG-CG2 4.28Å |
| 252 | V | 77.4 | Confident | 76.6 | Confident | 9 Ų | 9 | 53.1 Ų | 53.1 | 6% | 0.055 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -72.9 | -33.2 | -177 | 173.5 | 0 | 0 | 0 | 0 | 112 | M248 H249 E250 S256 V289 | M248-V252 WeakPolarHBondContact O-CG2 3.41Å; M248-V252 PolarHBondContact O-N 3.25Å; H249-V252 PolarHBondContact O-N 3.23Å; E250-V252 VanDerWaalsContact C-N 3.34Å; E250-V252 PolarHBondContact O-N 3.39Å; V252-S256 WeakPolarHBondContact O-CB 3.45Å; V252-S256 PolarHBondContact O-N 3.05Å; V252-S256 PolarHBondContact O-OG 3.18Å; V252-V289 HydrophobicContact CG1-CG1 3.94Å |
| 253 | T | 80.7 | Confident | 75.4 | Confident | 61 Ų | 61 | 54.4 Ų | 54.4 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -70 | -44.6 | 172.1 | 54.1 | 0 | 0 | 0 | 0 | 111.5 | H249 E250 V255 S256 V257 | H249-T253 WeakPolarHBondContact O-CG2 3.38Å; H249-T253 PolarHBondContact O-N 3.27Å; H249-T253 PolarHBondContact O-OG1 3.01Å; H249-T253 VanDerWaalsContact O-OG1 3.1Å; E250-T253 WeakPolarHBondContact CA-OG1 3.28Å; E250-T253 PolarHBondContact O-N 3.42Å; E250-T253 PolarHBondContact O-OG1 3.06Å; E250-T253 VanDerWaalsContact O-OG1 3.06Å; T253-V255 PolarHBondContact O-N 3.17Å; T253-S256 CarbonylContact O-C 3.6Å; T253-S256 PolarHBondContact O-N 3.05Å; T253-V257 WeakPolarHBondContact O-CB 3.48Å; T253-V257 WeakPolarHBondContact O-CG2 3.25Å; T253-V257 PolarHBondContact O-N 3.48Å |
| 254 | H | 83.9 | Confident | 74.1 | Confident | 14 Ų | 14 | 58.4 Ų | 58.4 | 7% | 0.065 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -52.7 | -56 | 173.3 | 155.8 | 59.2 | 0 | 0 | 0 | 111.5 | C226 F245 E250 S256 V257 E258 H259 | C226-H254 PolarHBondContact SG-NE2 3.29Å; F245-H254 HydrophobicContact CE1-CB 3.84Å; F245-H254 HydrophobicContact CE2-CB 4.17Å; F245-H254 AromaticContact CE2-CD2 3.34Å; F245-H254 WeakPolarHBondContact CE2-CD2 3.31Å; F245-H254 AromaticContact CE2-CG 3.87Å; F245-H254 HydrophobicContact CZ-CB 3.49Å; F245-H254 VanDerWaalsContact CZ-CB 3.49Å; F245-H254 AromaticContact CZ-CD2 3.28Å; F245-H254 WeakPolarHBondContact CZ-CD2 3.33Å; F245-H254 AromaticContact CZ-CG 3.31Å; E250-H254 VanDerWaalsContact O-CB 3.28Å; E250-H254 WeakPolarHBondContact O-CB 3.49Å; E250-H254 PolarHBondContact O-N 2.88Å; H254-S256 VanDerWaalsContact C-N 3.29Å; H254-S256 PolarHBondContact O-N 2.75Å; H254-V257 PolarHBondContact O-N 3.44Å; H254-V257 VanDerWaalsContact O-N 3.15Å; H254-E258 IonicContact CE1-OE2 3.94Å; H254-E258 PolarHBondContact CE1-OE2 2.85Å; H254-E258 IonicContact ND1-OE2 3.92Å; H254-E258 PolarHBondContact ND1-OE2 3.23Å; H254-E258 PolarHBondContact O-N 2.97Å; H254-H259 AromaticContact CE1-CD2 3.62Å; H254-H259 AromaticContact CE1-NE2 3.28Å; H254-H259 PolarHBondContact CE1-NE2 2.94Å; H254-H259 VanDerWaalsContact CE1-NE2 3.28Å; H254-H259 AromaticContact NE2-CD2 3.59Å; H254-H259 AromaticContact NE2-NE2 3.33Å; H254-H259 PolarHBondContact NE2-NE2 3.24Å |
| 255 | V | 79.6 | Confident | 73.2 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | I | π-helix | trans | -61.7 | -39.7 | 179.8 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | W228 L251 T253 V257 H259 V260 W272 I292 | W228-V255 HydrophobicContact CD2-CG1 4.34Å; W228-V255 HydrophobicContact CE3-CG1 3.56Å; W228-V255 HydrophobicContact CH2-CG1 4.48Å; W228-V255 HydrophobicContact CZ3-CG1 3.65Å; L251-V255 HydrophobicContact CD1-CG2 3.96Å; L251-V255 WeakPolarHBondContact O-CG2 3.09Å; L251-V255 PolarHBondContact O-N 3.1Å; T253-V255 PolarHBondContact O-N 3.17Å; V255-V257 VanDerWaalsContact C-N 3.28Å; V255-V257 PolarHBondContact O-N 3.12Å; V255-H259 HydrophobicContact CG1-CB 4.39Å; V255-H259 PolarHBondContact O-N 2.95Å; V255-V260 HydrophobicContact CG1-CG2 4.26Å; V255-V260 WeakPolarHBondContact O-CG2 3.15Å; V255-V260 PolarHBondContact O-N 2.83Å; V255-W272 HydrophobicContact CG2-CZ3 4.49Å; V255-I292 HydrophobicContact CB-CD1 4.49Å; V255-I292 HydrophobicContact CG1-CD1 3.53Å; V255-I292 HydrophobicContact CG1-CG1 4.33Å |
| 256 | S | 77.8 | Confident | 72 | Confident | 19 Ų | 19 | 63 Ų | 63 | 13% | 0.133 | 36% | 0.359 | C | S | . | . | I | π-helix | trans | -68.3 | -21.5 | 179.4 | -61.2 | 0 | 0 | 0 | 0 | 114.5 | V252 T253 H254 K285 V289 | V252-S256 WeakPolarHBondContact O-CB 3.45Å; V252-S256 PolarHBondContact O-N 3.05Å; V252-S256 PolarHBondContact O-OG 3.18Å; T253-S256 CarbonylContact O-C 3.6Å; T253-S256 PolarHBondContact O-N 3.05Å; H254-S256 VanDerWaalsContact C-N 3.29Å; H254-S256 PolarHBondContact O-N 2.75Å; S256-K285 WeakPolarHBondContact O-CE 3.21Å; S256-K285 PolarHBondContact O-NZ 3.23Å; S256-V289 WeakPolarHBondContact OG-CG2 3.29Å |
| 257 | V | 79.5 | Confident | 71.8 | Confident | 102 Ų | 102 | 62.7 Ų | 62.7 | 62% | 0.618 | 35% | 0.349 | S | S | * | . | I | π-helix | trans | -98.4 | -53.8 | 179.7 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | T253 H254 V255 | T253-V257 WeakPolarHBondContact O-CB 3.48Å; T253-V257 WeakPolarHBondContact O-CG2 3.25Å; T253-V257 PolarHBondContact O-N 3.48Å; H254-V257 PolarHBondContact O-N 3.44Å; H254-V257 VanDerWaalsContact O-N 3.15Å; V255-V257 VanDerWaalsContact C-N 3.28Å; V255-V257 PolarHBondContact O-N 3.12Å |
| 258 | E | 75.8 | Confident | 71.8 | Confident | 113 Ų | 113 | 60.6 Ų | 60.6 | 53% | 0.528 | 34% | 0.335 | S | S | . | . | I | π-helix | trans | -86.8 | -35.7 | -165.5 | -55.9 | -154.8 | 124.8 | 0 | 0 | 113.4 | K243 H254 | K243-E258 IonicContact NZ-OE1 3.95Å; K243-E258 IonicContact NZ-OE2 2.64Å; K243-E258 PolarHBondContact NZ-OE2 3.17Å; H254-E258 IonicContact CE1-OE2 3.94Å; H254-E258 PolarHBondContact CE1-OE2 2.85Å; H254-E258 IonicContact ND1-OE2 3.92Å; H254-E258 PolarHBondContact ND1-OE2 3.23Å; H254-E258 PolarHBondContact O-N 2.97Å |
| 259 | H | 76.4 | Confident | 72.1 | Confident | 27 Ų | 27 | 60.7 Ų | 60.7 | 13% | 0.125 | 34% | 0.336 | C | S | . | . | I | π-helix | trans | -102 | -33.4 | -177.2 | -64.8 | -62.2 | 0 | 0 | 0 | 113.7 | W228 D230 C241 H254 V255 | W228-H259 AromaticContact CD1-CE1 3.95Å; W228-H259 AromaticContact CD1-CG 3.42Å; W228-H259 VanDerWaalsContact CD1-CG 3.42Å; W228-H259 AromaticContact CD1-ND1 3.31Å; W228-H259 VanDerWaalsContact CD1-ND1 3.31Å; W228-H259 HydrophobicContact CD2-CB 3.78Å; W228-H259 HydrophobicContact CE3-CB 4.49Å; W228-H259 HydrophobicContact CG-CB 3.83Å; W228-H259 AromaticContact CG-CD2 3.86Å; W228-H259 AromaticContact CG-CG 3.56Å; W228-H259 AromaticContact CG-ND1 3.82Å; W228-H259 HydrophobicContact CZ2-CB 4.17Å; W228-H259 AromaticContact NE1-CG 3.86Å; W228-H259 AromaticContact NE1-ND1 3.92Å; D230-H259 IonicContact OD1-CE1 3.68Å; D230-H259 PolarHBondContact OD1-CE1 2.88Å; D230-H259 VanDerWaalsContact OD1-CE1 3.23Å; D230-H259 IonicContact OD1-CG 2.95Å; D230-H259 IonicContact OD1-ND1 2.66Å; D230-H259 PolarHBondContact OD1-ND1 2.57Å; D230-H259 IonicContact OD2-CE1 3.31Å; C241-H259 WeakPolarHBondContact CB-CE1 3.36Å; C241-H259 WeakPolarHBondContact CB-NE2 3.41Å; C241-H259 PolarHBondContact SG-NE2 3.3Å; H254-H259 AromaticContact CE1-CD2 3.62Å; H254-H259 AromaticContact CE1-NE2 3.28Å; H254-H259 PolarHBondContact CE1-NE2 2.94Å; H254-H259 VanDerWaalsContact CE1-NE2 3.28Å; H254-H259 AromaticContact NE2-CD2 3.59Å; H254-H259 AromaticContact NE2-NE2 3.33Å; H254-H259 PolarHBondContact NE2-NE2 3.24Å; V255-H259 HydrophobicContact CG1-CB 4.39Å; V255-H259 PolarHBondContact O-N 2.95Å |
| 260 | V | 72.9 | Confident | 72.4 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -87.3 | -9.1 | 178.6 | -178.2 | 0 | 0 | 0 | 0 | 112.6 | W228 V255 K285 L288 I292 | W228-V260 HydrophobicContact CH2-CG2 4.09Å; V255-V260 HydrophobicContact CG1-CG2 4.26Å; V255-V260 WeakPolarHBondContact O-CG2 3.15Å; V255-V260 PolarHBondContact O-N 2.83Å; V260-K285 HydrophobicContact CG1-CD 3.98Å; V260-K285 HydrophobicContact CG1-CG 3.81Å; V260-L288 HydrophobicContact CB-CD2 4.38Å; V260-L288 HydrophobicContact CG1-CD2 3.82Å; V260-L288 HydrophobicContact CG2-CD2 3.62Å; V260-L288 HydrophobicContact CG2-CG 4.24Å; V260-I292 HydrophobicContact CG2-CD1 4.27Å |
| 261 | G | 64.9 | Low | 72.1 | Confident | 17 Ų | 17 | 54 Ų | 54 | 18% | 0.175 | 31% | 0.305 | C | S | . | . | trans | 65.2 | -170 | 169 | 0 | 0 | 0 | 0 | 0 | 116.2 | K285 | G261-K285 PolarHBondContact O-NZ 3.21Š| ||
| 262 | G | 54.9 | Low | 72.1 | Confident | 42 Ų | 42 | 54.8 Ų | 54.8 | 43% | 0.433 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -68.6 | 176.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E264 | G262-E264 PolarHBondContact O-N 2.96Š|
| 263 | P | 53.5 | Low | 72 | Confident | 125 Ų | 125 | 59 Ų | 59 | 81% | 0.812 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -11.7 | -177.7 | 29.1 | -35.5 | 0 | 0 | 0 | 114.6 | ||
| 264 | E | 54.9 | Low | 71.6 | Confident | 178 Ų | 178 | 61.4 Ų | 61.4 | 83% | 0.832 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -10.9 | -170.5 | -55.2 | -170.9 | 148.6 | 0 | 0 | 114.3 | G262 T266 | G262-E264 PolarHBondContact O-N 2.96Å; E264-T266 PolarHBondContact O-N 2.63Å |
| 265 | Q | 61.4 | Low | 71.5 | Confident | 96 Ų | 96 | 61.9 Ų | 61.9 | 45% | 0.449 | 34% | 0.342 | S | S | . | . | trans | -71.7 | 110.4 | 175 | -68.1 | -171.1 | 10.3 | 0 | 0 | 111 | N267 H268 | Q265-N267 VanDerWaalsContact C-N 3.26Å; Q265-N267 PolarHBondContact O-N 3.34Å; Q265-H268 PolarHBondContact O-CE1 3.03Å; Q265-H268 PolarHBondContact O-ND1 2.93Å; Q265-H268 PolarHBondContact O-NE2 3.31Å | ||
| 266 | T | 57.8 | Low | 71.4 | Confident | 119 Ų | 119 | 67.9 Ų | 67.9 | 73% | 0.73 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -70.4 | -17.3 | -178.3 | 55.7 | 0 | 0 | 0 | 0 | 114.6 | E264 | E264-T266 PolarHBondContact O-N 2.63Š|
| 267 | N | 68.7 | Low | 71 | Confident | 93 Ų | 93 | 71.4 Ų | 71.4 | 50% | 0.497 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -132.8 | 91.3 | -176.2 | -78.8 | -66.1 | 0 | 0 | 0 | 111.1 | Q265 I269 P281 | Q265-N267 VanDerWaalsContact C-N 3.26Å; Q265-N267 PolarHBondContact O-N 3.34Å; N267-I269 PolarHBondContact O-N 3.24Å; N267-P281 HydrophobicContact CB-CB 3.89Å; N267-P281 WeakPolarHBondContact OD1-CB 3.32Å |
| 268 | H | 76.8 | Confident | 70 | Confident | 16 Ų | 16 | 73.4 Ų | 73.4 | 7% | 0.074 | 40% | 0.397 | C | S | . | . | B | Isolated β-bridge | trans | -79.7 | 109.1 | 178.8 | -43.4 | -78.1 | 0 | 0 | 0 | 110.3 | Q265 F282 K285 L288 | Q265-H268 PolarHBondContact O-CE1 3.03Å; Q265-H268 PolarHBondContact O-ND1 2.93Å; Q265-H268 PolarHBondContact O-NE2 3.31Å; H268-F282 PolarHBondContact CD2-O 2.86Å; H268-F282 PolarHBondContact N-O 2.92Å; H268-F282 WeakPolarHBondContact O-CB 3.44Å; H268-F282 WeakPolarHBondContact O-CD2 3.46Å; H268-F282 PolarHBondContact O-N 3.2Å; H268-K285 PolarHBondContact CD2-N 2.83Å; H268-K285 PolarHBondContact NE2-N 3.13Å; H268-L288 HydrophobicContact CB-CB 4.2Å; H268-L288 HydrophobicContact CB-CD2 3.61Å |
| 269 | I | 77.9 | Confident | 69.6 | Low | 44 Ų | 44 | 70.9 Ų | 70.9 | 23% | 0.226 | 39% | 0.392 | C | S | . | . | trans | -99 | 152.6 | -178.8 | -63.8 | 171.1 | 0 | 0 | 0 | 110.3 | W228 N267 F271 S279 P281 L288 | W228-I269 VanDerWaalsContact CH2-O 3.31Å; W228-I269 WeakPolarHBondContact CH2-O 3.27Å; W228-I269 WeakPolarHBondContact CZ2-O 3.37Å; N267-I269 PolarHBondContact O-N 3.24Å; I269-F271 HydrophobicContact CB-CD2 4.41Å; I269-F271 HydrophobicContact CB-CE1 4.38Å; I269-F271 HydrophobicContact CB-CE2 3.71Å; I269-F271 HydrophobicContact CB-CZ 3.7Å; I269-F271 HydrophobicContact CD1-CZ 4.1Å; I269-F271 HydrophobicContact CG2-CD1 4Å; I269-F271 HydrophobicContact CG2-CD2 4.13Å; I269-F271 HydrophobicContact CG2-CE1 3.53Å; I269-F271 HydrophobicContact CG2-CE2 3.68Å; I269-F271 HydrophobicContact CG2-CG 4.28Å; I269-F271 HydrophobicContact CG2-CZ 3.35Å; I269-S279 WeakPolarHBondContact CG1-O 3.28Å; I269-S279 VanDerWaalsContact CG2-O 3.3Å; I269-S279 WeakPolarHBondContact CG2-O 3.14Å; I269-P281 HydrophobicContact CG1-CB 3.84Å; I269-L288 VanDerWaalsContact O-CD2 3.23Å; I269-L288 WeakPolarHBondContact O-CD2 3.35Å | ||
| 270 | C | 82.1 | Confident | 69.7 | Low | 6 Ų | 6 | 74.9 Ų | 74.9 | 4% | 0.041 | 41% | 0.409 | C | S | . | . | trans | -100.5 | 122.9 | 169.1 | -166.8 | 0 | 0 | 0 | 0 | 109.7 | F282 L288 | C270-F282 HydrophobicContact CB-CE2 4.32Å; C270-L288 HydrophobicContact CB-CD1 3.55Å | ||
| 271 | F | 75.9 | Confident | 70 | Confident | 46 Ų | 46 | 77.6 Ų | 77.6 | 20% | 0.202 | 43% | 0.427 | C | S | . | . | trans | -114.9 | 44.3 | 175.4 | -57.7 | -74.9 | 0 | 0 | 0 | 110.7 | W228 I229 P231 I269 | W228-F271 HydrophobicContact CZ2-CB 4.24Å; W228-F271 AromaticContact CZ2-CD2 3.86Å; W228-F271 HydrophobicContact CZ2-CD2 3.86Å; W228-F271 AromaticContact NE1-CD2 3.98Å; I229-F271 HydrophobicContact CB-CB 4.48Å; I229-F271 PolarHBondContact N-O 3.08Å; I229-F271 WeakPolarHBondContact O-CB 3.39Å; P231-F271 HydrophobicContact CB-CD2 4.39Å; P231-F271 HydrophobicContact CB-CE1 4.29Å; P231-F271 HydrophobicContact CB-CE2 3.88Å; P231-F271 HydrophobicContact CB-CZ 3.82Å; P231-F271 HydrophobicContact CG-CD2 4.35Å; P231-F271 HydrophobicContact CG-CE2 3.92Å; P231-F271 HydrophobicContact CG-CZ 4.35Å; I269-F271 HydrophobicContact CB-CD2 4.41Å; I269-F271 HydrophobicContact CB-CE1 4.38Å; I269-F271 HydrophobicContact CB-CE2 3.71Å; I269-F271 HydrophobicContact CB-CZ 3.7Å; I269-F271 HydrophobicContact CD1-CZ 4.1Å; I269-F271 HydrophobicContact CG2-CD1 4Å; I269-F271 HydrophobicContact CG2-CD2 4.13Å; I269-F271 HydrophobicContact CG2-CE1 3.53Å; I269-F271 HydrophobicContact CG2-CE2 3.68Å; I269-F271 HydrophobicContact CG2-CG 4.28Å; I269-F271 HydrophobicContact CG2-CZ 3.35Å | ||
| 272 | W | 81 | Confident | 70.7 | Confident | 20 Ų | 20 | 78.1 Ų | 78.1 | 8% | 0.076 | 42% | 0.424 | C | S | . | . | B | Isolated β-bridge | trans | -79.2 | 136.1 | 173.1 | -161.1 | -79.3 | 0 | 0 | 0 | 109.6 | K227 W228 V255 D274 C275 I292 H295 T296 | K227-W272 HydrophobicContact CB-CD2 4.34Å; K227-W272 HydrophobicContact CB-CZ2 3.84Å; K227-W272 HydrophobicContact CG-CZ2 4.49Å; W228-W272 HydrophobicContact CE3-CE3 4.25Å; V255-W272 HydrophobicContact CG2-CZ3 4.49Å; W272-D274 PolarHBondContact O-N 2.62Å; W272-C275 HydrophobicContact CB-CB 4.2Å; W272-C275 WeakPolarHBondContact O-CB 3.25Å; W272-C275 PolarHBondContact O-N 3.15Å; W272-I292 HydrophobicContact CZ3-CG2 4.44Å; W272-H295 AromaticContact CD1-CG 3.61Å; W272-H295 AromaticContact CD1-ND1 3.46Å; W272-H295 HydrophobicContact CD2-CB 3.77Å; W272-H295 AromaticContact CD2-CG 3.85Å; W272-H295 HydrophobicContact CE3-CB 4.38Å; W272-H295 HydrophobicContact CG-CB 4.03Å; W272-H295 AromaticContact CG-CD2 3.88Å; W272-H295 AromaticContact CG-CG 3.59Å; W272-H295 AromaticContact CG-ND1 3.8Å; W272-H295 HydrophobicContact CZ2-CB 4.03Å; W272-H295 AromaticContact NE1-CG 3.87Å; W272-H295 AromaticContact NE1-ND1 3.94Å; W272-T296 HydrophobicContact CH2-CG2 4.05Å |
| 273 | E | 74.9 | Confident | 72 | Confident | 98 Ų | 98 | 86 Ų | 86 | 46% | 0.458 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.6 | -54.3 | -173.4 | -169.8 | 176.1 | -169.2 | 0 | 0 | 113.8 | K227 I229 C275 | K227-E273 HydrophobicContact CB-CB 4.27Å; K227-E273 WeakPolarHBondContact CD-OE2 3.31Å; K227-E273 VanDerWaalsContact CE-OE2 3.31Å; K227-E273 WeakPolarHBondContact CE-OE2 3.29Å; K227-E273 IonicContact NZ-OE1 3.99Å; K227-E273 IonicContact NZ-OE2 3.08Å; K227-E273 PolarHBondContact NZ-OE2 2.95Å; K227-E273 PolarHBondContact O-N 3.35Å; K227-E273 VanDerWaalsContact O-N 3.17Å; I229-E273 HydrophobicContact CD1-CB 4.32Å; E273-C275 PolarHBondContact O-N 2.66Å |
| 274 | D | 72.9 | Confident | 73.3 | Confident | 111 Ų | 111 | 81.3 Ų | 81.3 | 59% | 0.594 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 30.3 | -179.8 | -54.5 | -72.9 | 0 | 0 | 0 | 114.1 | K227 W272 S276 | K227-D274 IonicContact NZ-OD2 3.23Å; W272-D274 PolarHBondContact O-N 2.62Å; D274-S276 PolarHBondContact O-N 3.02Å |
| 275 | C | 81.8 | Confident | 74.5 | Confident | 25 Ų | 25 | 76 Ų | 76 | 17% | 0.169 | 39% | 0.393 | C | S | . | . | trans | -76.8 | 106.3 | -174.6 | -161.8 | 0 | 0 | 0 | 0 | 113.8 | W272 E273 R277 H291 | W272-C275 HydrophobicContact CB-CB 4.2Å; W272-C275 WeakPolarHBondContact O-CB 3.25Å; W272-C275 PolarHBondContact O-N 3.15Å; E273-C275 PolarHBondContact O-N 2.66Å; C275-R277 PolarHBondContact O-N 2.93Å; C275-H291 PolarHBondContact SG-NE2 3.32Å; C275-H291 VanDerWaalsContact SG-NE2 3.4Å | ||
| 276 | S | 76.8 | Confident | 75.3 | Confident | 126 Ų | 126 | 77.9 Ų | 77.9 | 88% | 0.881 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -68.2 | 19.1 | 172.7 | -30.8 | 0 | 0 | 0 | 0 | 114.7 | D274 | D274-S276 PolarHBondContact O-N 3.02Š|
| 277 | R | 70.2 | Confident | 76.5 | Confident | 93 Ų | 93 | 77.1 Ų | 77.1 | 35% | 0.351 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -116.6 | 115.5 | 166.3 | -69.9 | 176.8 | 57.2 | 90.6 | -1.5 | 107.5 | C275 S279 K280 F282 | C275-R277 PolarHBondContact O-N 2.93Å; R277-S279 PolarHBondContact O-N 3.2Å; R277-K280 PolarHBondContact NH2-O 3.48Å; R277-F282 VanDerWaalsContact CZ-CZ 3.46Å |
| 278 | E | 59.1 | Low | 77.2 | Confident | 143 Ų | 143 | 72.8 Ų | 72.8 | 67% | 0.668 | 36% | 0.36 | S | S | * | . | trans | -68.5 | 73.8 | -177.6 | -51.4 | 127.3 | 130.7 | 0 | 0 | 111.9 | K280 | E278-K280 PolarHBondContact O-N 2.85Å; E278-K280 WeakPolarHBondContact OE2-CE 3.31Å; E278-K280 IonicContact OE2-NZ 2.73Å; E278-K280 PolarHBondContact OE2-NZ 3.04Å | ||
| 279 | S | 67 | Low | 77.3 | Confident | 60 Ų | 60 | 73.3 Ų | 73.3 | 42% | 0.42 | 36% | 0.364 | S | S | . | . | S | Bend | trans | 52.5 | 15.6 | -179.9 | -58.5 | 0 | 0 | 0 | 0 | 115.9 | I269 R277 P281 | I269-S279 WeakPolarHBondContact CG1-O 3.28Å; I269-S279 VanDerWaalsContact CG2-O 3.3Å; I269-S279 WeakPolarHBondContact CG2-O 3.14Å; R277-S279 PolarHBondContact O-N 3.2Å; S279-P281 WeakPolarHBondContact O-CD 3.38Å |
| 280 | K | 77.5 | Confident | 77.6 | Confident | 111 Ų | 111 | 73.5 Ų | 73.5 | 48% | 0.483 | 37% | 0.366 | S | S | . | . | trans | -68.4 | 115.2 | -172.1 | -80.3 | 160.9 | -178.5 | 169.1 | 0 | 111.3 | R277 E278 | R277-K280 PolarHBondContact NH2-O 3.48Å; E278-K280 PolarHBondContact O-N 2.85Å; E278-K280 WeakPolarHBondContact OE2-CE 3.31Å; E278-K280 IonicContact OE2-NZ 2.73Å; E278-K280 PolarHBondContact OE2-NZ 3.04Å | ||
| 281 | P | 79.4 | Confident | 77.7 | Confident | 60 Ų | 60 | 74.4 Ų | 74.4 | 39% | 0.39 | 37% | 0.369 | S | S | . | . | trans | -66 | 151.6 | -168.4 | 24.6 | -34.4 | 0 | 0 | 0 | 113.7 | N267 I269 S279 | N267-P281 HydrophobicContact CB-CB 3.89Å; N267-P281 WeakPolarHBondContact OD1-CB 3.32Å; I269-P281 HydrophobicContact CG1-CB 3.84Å; S279-P281 WeakPolarHBondContact O-CD 3.38Å | ||
| 282 | F | 81.2 | Confident | 77.9 | Confident | 28 Ų | 28 | 72.2 Ų | 72.2 | 12% | 0.123 | 36% | 0.36 | C | S | . | . | B | Isolated β-bridge | trans | -98.1 | 125.9 | 172.4 | -68.6 | -88.6 | 0 | 0 | 0 | 109.9 | H268 C270 R277 A284 K287 L288 H291 | H268-F282 PolarHBondContact CD2-O 2.86Å; H268-F282 PolarHBondContact N-O 2.92Å; H268-F282 WeakPolarHBondContact O-CB 3.44Å; H268-F282 WeakPolarHBondContact O-CD2 3.46Å; H268-F282 PolarHBondContact O-N 3.2Å; C270-F282 HydrophobicContact CB-CE2 4.32Å; R277-F282 VanDerWaalsContact CZ-CZ 3.46Å; F282-A284 PolarHBondContact O-N 3.26Å; F282-K287 HydrophobicContact CB-CB 4.14Å; F282-K287 HydrophobicContact CD1-CB 3.73Å; F282-K287 HydrophobicContact CG-CB 4.31Å; F282-L288 HydrophobicContact CB-CB 4.17Å; F282-L288 HydrophobicContact CD2-CB 3.96Å; F282-L288 HydrophobicContact CD2-CD1 3.84Å; F282-L288 HydrophobicContact CD2-CG 4.42Å; F282-L288 HydrophobicContact CE2-CD1 3.88Å; F282-L288 HydrophobicContact CG-CB 4.11Å; F282-H291 HydrophobicContact CE1-CB 4Å; F282-H291 HydrophobicContact CE2-CB 4.32Å; F282-H291 AromaticContact CE2-CD2 3.32Å; F282-H291 WeakPolarHBondContact CE2-CD2 3.33Å; F282-H291 HydrophobicContact CZ-CB 3.63Å; F282-H291 AromaticContact CZ-CD2 3.17Å; F282-H291 WeakPolarHBondContact CZ-CD2 3.21Å; F282-H291 AromaticContact CZ-CG 3.46Å; F282-H291 VanDerWaalsContact CZ-CG 3.46Å; F282-H291 AromaticContact CZ-NE2 3.95Å |
| 283 | K | 80.8 | Confident | 77.9 | Confident | 207 Ų | 207 | 73 Ų | 73 | 90% | 0.9 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -63.9 | 2.3 | 179.9 | -58.5 | -167.7 | 176 | -166.5 | 0 | 115.8 | ||
| 284 | A | 82.2 | Confident | 78.3 | Confident | 28 Ų | 28 | 73.6 Ų | 73.6 | 23% | 0.231 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -166.5 | 139.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F282 Y286 K287 | F282-A284 PolarHBondContact O-N 3.26Å; A284-Y286 VanDerWaalsContact C-N 3.29Å; A284-Y286 HydrophobicContact CB-CD1 3.62Å; A284-Y286 HydrophobicContact CB-CE1 3.52Å; A284-Y286 PolarHBondContact O-N 3.42Å; A284-Y286 VanDerWaalsContact O-N 3.17Å; A284-K287 HydrophobicContact CB-CG 4.35Å; A284-K287 WeakPolarHBondContact O-CB 3.04Å; A284-K287 PolarHBondContact O-N 2.74Å |
| 285 | K | 78.8 | Confident | 78.7 | Confident | 65 Ų | 65 | 70.7 Ų | 70.7 | 28% | 0.283 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -49.3 | -45.7 | -176.9 | -176.7 | 160.2 | -178.2 | 169 | 0 | 113.1 | S256 V260 G261 H268 K287 L288 V289 | S256-K285 WeakPolarHBondContact O-CE 3.21Å; S256-K285 PolarHBondContact O-NZ 3.23Å; V260-K285 HydrophobicContact CG1-CD 3.98Å; V260-K285 HydrophobicContact CG1-CG 3.81Å; G261-K285 PolarHBondContact O-NZ 3.21Å; H268-K285 PolarHBondContact CD2-N 2.83Å; H268-K285 PolarHBondContact NE2-N 3.13Å; K285-K287 PolarHBondContact O-N 2.89Å; K285-K287 VanDerWaalsContact O-N 3.17Å; K285-L288 PolarHBondContact O-N 2.84Å; K285-L288 VanDerWaalsContact O-N 3.09Å; K285-V289 HydrophobicContact CG-CG2 4.33Å; K285-V289 WeakPolarHBondContact O-CG2 3.11Å; K285-V289 PolarHBondContact O-N 3.4Å |
| 286 | Y | 78.9 | Confident | 78.3 | Confident | 137 Ų | 137 | 70.7 Ų | 70.7 | 54% | 0.537 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.4 | -24.9 | -179.9 | 82.4 | -89.1 | 0 | 0 | 0 | 113.9 | A284 N290 | A284-Y286 VanDerWaalsContact C-N 3.29Å; A284-Y286 HydrophobicContact CB-CD1 3.62Å; A284-Y286 HydrophobicContact CB-CE1 3.52Å; A284-Y286 PolarHBondContact O-N 3.42Å; A284-Y286 VanDerWaalsContact O-N 3.17Å; Y286-N290 WeakPolarHBondContact O-CB 3.35Å; Y286-N290 PolarHBondContact O-N 3.35Å; Y286-N290 PolarHBondContact O-ND2 3.34Å |
| 287 | K | 83.6 | Confident | 78.3 | Confident | 103 Ų | 103 | 66.6 Ų | 66.6 | 45% | 0.448 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -72.9 | -40.4 | 174.9 | -62.4 | -65.8 | -161.5 | -155 | 0 | 111.1 | F282 A284 K285 N290 H291 | F282-K287 HydrophobicContact CB-CB 4.14Å; F282-K287 HydrophobicContact CD1-CB 3.73Å; F282-K287 HydrophobicContact CG-CB 4.31Å; A284-K287 HydrophobicContact CB-CG 4.35Å; A284-K287 WeakPolarHBondContact O-CB 3.04Å; A284-K287 PolarHBondContact O-N 2.74Å; K285-K287 PolarHBondContact O-N 2.89Å; K285-K287 VanDerWaalsContact O-N 3.17Å; K287-N290 PolarHBondContact O-N 3.13Å; K287-H291 WeakPolarHBondContact O-CB 3.41Å; K287-H291 PolarHBondContact O-N 2.9Å |
| 288 | L | 82.4 | Confident | 78.5 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.6 | -45.5 | 174 | 175.4 | 56.8 | 0 | 0 | 0 | 111.2 | W228 V260 H268 I269 C270 F282 K285 N290 H291 I292 | W228-L288 HydrophobicContact CH2-CD1 4.39Å; W228-L288 HydrophobicContact CH2-CD2 4.24Å; V260-L288 HydrophobicContact CB-CD2 4.38Å; V260-L288 HydrophobicContact CG1-CD2 3.82Å; V260-L288 HydrophobicContact CG2-CD2 3.62Å; V260-L288 HydrophobicContact CG2-CG 4.24Å; H268-L288 HydrophobicContact CB-CB 4.2Å; H268-L288 HydrophobicContact CB-CD2 3.61Å; I269-L288 VanDerWaalsContact O-CD2 3.23Å; I269-L288 WeakPolarHBondContact O-CD2 3.35Å; C270-L288 HydrophobicContact CB-CD1 3.55Å; F282-L288 HydrophobicContact CB-CB 4.17Å; F282-L288 HydrophobicContact CD2-CB 3.96Å; F282-L288 HydrophobicContact CD2-CD1 3.84Å; F282-L288 HydrophobicContact CD2-CG 4.42Å; F282-L288 HydrophobicContact CE2-CD1 3.88Å; F282-L288 HydrophobicContact CG-CB 4.11Å; K285-L288 PolarHBondContact O-N 2.84Å; K285-L288 VanDerWaalsContact O-N 3.09Å; L288-N290 VanDerWaalsContact C-N 3.31Å; L288-N290 PolarHBondContact O-N 3.06Å; L288-H291 CarbonylContact O-C 3.52Å; L288-H291 WeakPolarHBondContact O-CA 3.34Å; L288-H291 WeakPolarHBondContact O-CB 3.31Å; L288-H291 PolarHBondContact O-N 3.49Å; L288-I292 HydrophobicContact CD1-CD1 4.2Å; L288-I292 HydrophobicContact CD1-CG1 4.24Å; L288-I292 HydrophobicContact CG-CD1 4.02Å; L288-I292 WeakPolarHBondContact O-CG1 3.49Å; L288-I292 PolarHBondContact O-N 3.07Å |
| 289 | V | 80.1 | Confident | 79.4 | Confident | 27 Ų | 27 | 62 Ų | 62 | 16% | 0.164 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.2 | -42.4 | 175.1 | 178.2 | 0 | 0 | 0 | 0 | 111.6 | V252 S256 K285 H291 I292 | V252-V289 HydrophobicContact CG1-CG1 3.94Å; S256-V289 WeakPolarHBondContact OG-CG2 3.29Å; K285-V289 HydrophobicContact CG-CG2 4.33Å; K285-V289 WeakPolarHBondContact O-CG2 3.11Å; K285-V289 PolarHBondContact O-N 3.4Å; V289-H291 PolarHBondContact O-N 2.9Å; V289-I292 PolarHBondContact O-N 2.98Å |
| 290 | N | 82.3 | Confident | 80 | Confident | 49 Ų | 49 | 61.6 Ų | 61.6 | 26% | 0.262 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70.3 | -16.1 | 173.7 | -81.7 | -81.3 | 0 | 0 | 0 | 114.3 | Y286 K287 L288 | Y286-N290 WeakPolarHBondContact O-CB 3.35Å; Y286-N290 PolarHBondContact O-N 3.35Å; Y286-N290 PolarHBondContact O-ND2 3.34Å; K287-N290 PolarHBondContact O-N 3.13Å; L288-N290 VanDerWaalsContact C-N 3.31Å; L288-N290 PolarHBondContact O-N 3.06Å |
| 291 | H | 84.5 | Confident | 80.3 | Confident | 24 Ų | 24 | 59.1 Ų | 59.1 | 11% | 0.111 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -87.8 | -36.2 | 174.7 | 166.1 | 43.7 | 0 | 0 | 0 | 112.3 | C275 F282 K287 L288 V289 R293 V294 H295 | C275-H291 PolarHBondContact SG-NE2 3.32Å; C275-H291 VanDerWaalsContact SG-NE2 3.4Å; F282-H291 HydrophobicContact CE1-CB 4Å; F282-H291 HydrophobicContact CE2-CB 4.32Å; F282-H291 AromaticContact CE2-CD2 3.32Å; F282-H291 WeakPolarHBondContact CE2-CD2 3.33Å; F282-H291 HydrophobicContact CZ-CB 3.63Å; F282-H291 AromaticContact CZ-CD2 3.17Å; F282-H291 WeakPolarHBondContact CZ-CD2 3.21Å; F282-H291 AromaticContact CZ-CG 3.46Å; F282-H291 VanDerWaalsContact CZ-CG 3.46Å; F282-H291 AromaticContact CZ-NE2 3.95Å; K287-H291 WeakPolarHBondContact O-CB 3.41Å; K287-H291 PolarHBondContact O-N 2.9Å; L288-H291 CarbonylContact O-C 3.52Å; L288-H291 WeakPolarHBondContact O-CA 3.34Å; L288-H291 WeakPolarHBondContact O-CB 3.31Å; L288-H291 PolarHBondContact O-N 3.49Å; V289-H291 PolarHBondContact O-N 2.9Å; H291-R293 PolarHBondContact O-N 3.35Å; H291-R293 VanDerWaalsContact O-N 3.13Å; H291-V294 WeakPolarHBondContact O-CB 3.38Å; H291-V294 WeakPolarHBondContact O-CG2 3.17Å; H291-V294 PolarHBondContact O-N 3.31Å; H291-H295 AromaticContact CE1-NE2 3.35Å; H291-H295 PolarHBondContact CE1-NE2 3.45Å; H291-H295 AromaticContact NE2-NE2 3.71Å |
| 292 | I | 80.7 | Confident | 80.5 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -54.3 | -33.7 | 174.4 | -70.2 | 155.4 | 0 | 0 | 0 | 111.1 | W228 V255 V260 W272 L288 V289 V294 H295 T296 | W228-I292 HydrophobicContact CZ3-CD1 4.02Å; W228-I292 HydrophobicContact CZ3-CG1 4.15Å; V255-I292 HydrophobicContact CB-CD1 4.49Å; V255-I292 HydrophobicContact CG1-CD1 3.53Å; V255-I292 HydrophobicContact CG1-CG1 4.33Å; V260-I292 HydrophobicContact CG2-CD1 4.27Å; W272-I292 HydrophobicContact CZ3-CG2 4.44Å; L288-I292 HydrophobicContact CD1-CD1 4.2Å; L288-I292 HydrophobicContact CD1-CG1 4.24Å; L288-I292 HydrophobicContact CG-CD1 4.02Å; L288-I292 WeakPolarHBondContact O-CG1 3.49Å; L288-I292 PolarHBondContact O-N 3.07Å; V289-I292 PolarHBondContact O-N 2.98Å; I292-V294 PolarHBondContact O-N 2.45Å; I292-H295 PolarHBondContact O-N 3Å; I292-T296 HydrophobicContact CG2-CG2 4.09Å; I292-T296 PolarHBondContact O-N 3.3Å; I292-T296 VanDerWaalsContact O-N 3.12Å |
| 293 | R | 81.9 | Confident | 80.9 | Confident | 37 Ų | 37 | 56.9 Ų | 56.9 | 14% | 0.14 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.1 | -18.3 | 171.2 | -60.2 | -171.8 | 159.4 | 156.9 | -5.9 | 115.6 | H291 G297 E298 A313 | H291-R293 PolarHBondContact O-N 3.35Å; H291-R293 VanDerWaalsContact O-N 3.13Å; R293-G297 CarbonylContact O-C 3.56Å; R293-G297 VanDerWaalsContact O-CA 3.27Å; R293-G297 WeakPolarHBondContact O-CA 3.31Å; R293-G297 PolarHBondContact O-N 3.46Å; R293-E298 HydrophobicContact CB-CB 4.3Å; R293-E298 HydrophobicContact CG-CB 4.05Å; R293-E298 IonicContact CZ-OE1 3.04Å; R293-E298 IonicContact CZ-OE2 2.63Å; R293-E298 VanDerWaalsContact CZ-OE2 3.31Å; R293-E298 VanDerWaalsContact NE-CD 3.32Å; R293-E298 IonicContact NE-OE1 2.69Å; R293-E298 IonicContact NE-OE2 2.66Å; R293-E298 PolarHBondContact NE-OE2 2.66Å; R293-E298 IonicContact NH2-OE1 3.34Å; R293-E298 PolarHBondContact NH2-OE1 2.72Å; R293-E298 IonicContact NH2-OE2 3.71Å; R293-E298 PolarHBondContact NH2-OE2 3.03Å; R293-E298 VanDerWaalsContact NH2-OE2 3.08Å; R293-E298 PolarHBondContact O-N 3.47Å; R293-A313 WeakPolarHBondContact CD-O 3.41Å; R293-A313 PolarHBondContact NH1-O 3.15Å |
| 294 | V | 82.4 | Confident | 81.2 | Confident | 110 Ų | 110 | 51 Ų | 51 | 67% | 0.667 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -75.3 | -36.7 | 174.2 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | H291 I292 | H291-V294 WeakPolarHBondContact O-CB 3.38Å; H291-V294 WeakPolarHBondContact O-CG2 3.17Å; H291-V294 PolarHBondContact O-N 3.31Å; I292-V294 PolarHBondContact O-N 2.45Å |
| 295 | H | 80.8 | Confident | 81.4 | Confident | 51 Ų | 51 | 53 Ų | 53 | 24% | 0.236 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -77.3 | -40.7 | 176.7 | -60.8 | -68.1 | 0 | 0 | 0 | 111.8 | W272 H291 I292 | W272-H295 AromaticContact CD1-CG 3.61Å; W272-H295 AromaticContact CD1-ND1 3.46Å; W272-H295 HydrophobicContact CD2-CB 3.77Å; W272-H295 AromaticContact CD2-CG 3.85Å; W272-H295 HydrophobicContact CE3-CB 4.38Å; W272-H295 HydrophobicContact CG-CB 4.03Å; W272-H295 AromaticContact CG-CD2 3.88Å; W272-H295 AromaticContact CG-CG 3.59Å; W272-H295 AromaticContact CG-ND1 3.8Å; W272-H295 HydrophobicContact CZ2-CB 4.03Å; W272-H295 AromaticContact NE1-CG 3.87Å; W272-H295 AromaticContact NE1-ND1 3.94Å; H291-H295 AromaticContact CE1-NE2 3.35Å; H291-H295 PolarHBondContact CE1-NE2 3.45Å; H291-H295 AromaticContact NE2-NE2 3.71Å; I292-H295 PolarHBondContact O-N 3Å |
| 296 | T | 74.6 | Confident | 81.7 | Confident | 24 Ų | 24 | 55.9 Ų | 55.9 | 15% | 0.147 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -87.3 | -16 | -177.5 | 73.1 | 0 | 0 | 0 | 0 | 113.9 | M248 L251 W272 I292 E298 | M248-T296 WeakPolarHBondContact CE-O 3.48Å; M248-T296 WeakPolarHBondContact SD-CB 3.32Å; M248-T296 HydrophobicContact SD-CG2 4.22Å; M248-T296 PolarHBondContact SD-OG1 3.44Å; M248-T296 VanDerWaalsContact SD-OG1 3.36Å; L251-T296 HydrophobicContact CD2-CG2 3.56Å; L251-T296 HydrophobicContact CG-CG2 4.28Å; W272-T296 HydrophobicContact CH2-CG2 4.05Å; I292-T296 HydrophobicContact CG2-CG2 4.09Å; I292-T296 PolarHBondContact O-N 3.3Å; I292-T296 VanDerWaalsContact O-N 3.12Å; T296-E298 VanDerWaalsContact C-N 3.28Å; T296-E298 PolarHBondContact O-N 2.16Å; T296-E298 PolarHBondContact OG1-N 3.05Å |
| 297 | G | 76 | Confident | 81.9 | Confident | 41 Ų | 41 | 53.7 Ų | 53.7 | 42% | 0.423 | 32% | 0.318 | S | S | . | . | trans | 74.4 | 8.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | R293 K299 | R293-G297 CarbonylContact O-C 3.56Å; R293-G297 VanDerWaalsContact O-CA 3.27Å; R293-G297 WeakPolarHBondContact O-CA 3.31Å; R293-G297 PolarHBondContact O-N 3.46Å; G297-K299 PolarHBondContact O-N 3.26Å | ||
| 298 | E | 73.8 | Confident | 82.2 | Confident | 21 Ų | 21 | 49.6 Ų | 49.6 | 10% | 0.098 | 30% | 0.302 | C | S | . | . | trans | -54.8 | 125 | -176.7 | -169.5 | -163.5 | 169.2 | 0 | 0 | 112.6 | M248 R293 T296 P300 A313 | M248-E298 HydrophobicContact CB-CG 4.45Å; M248-E298 HydrophobicContact CG-CB 3.52Å; M248-E298 HydrophobicContact CG-CG 3.4Å; M248-E298 VanDerWaalsContact CG-CG 3.4Å; M248-E298 HydrophobicContact SD-CB 4.08Å; R293-E298 HydrophobicContact CB-CB 4.3Å; R293-E298 HydrophobicContact CG-CB 4.05Å; R293-E298 IonicContact CZ-OE1 3.04Å; R293-E298 IonicContact CZ-OE2 2.63Å; R293-E298 VanDerWaalsContact CZ-OE2 3.31Å; R293-E298 VanDerWaalsContact NE-CD 3.32Å; R293-E298 IonicContact NE-OE1 2.69Å; R293-E298 IonicContact NE-OE2 2.66Å; R293-E298 PolarHBondContact NE-OE2 2.66Å; R293-E298 IonicContact NH2-OE1 3.34Å; R293-E298 PolarHBondContact NH2-OE1 2.72Å; R293-E298 IonicContact NH2-OE2 3.71Å; R293-E298 PolarHBondContact NH2-OE2 3.03Å; R293-E298 VanDerWaalsContact NH2-OE2 3.08Å; R293-E298 PolarHBondContact O-N 3.47Å; T296-E298 VanDerWaalsContact C-N 3.28Å; T296-E298 PolarHBondContact O-N 2.16Å; T296-E298 PolarHBondContact OG1-N 3.05Å; E298-P300 HydrophobicContact CG-CB 4.2Å; E298-P300 HydrophobicContact CG-CG 4.09Å; E298-P300 VanDerWaalsContact OE1-CB 3.28Å; E298-P300 WeakPolarHBondContact OE1-CB 3.47Å; E298-P300 VanDerWaalsContact OE1-CG 3.29Å; E298-P300 WeakPolarHBondContact OE1-CG 3.2Å; E298-A313 WeakPolarHBondContact O-CA 3.23Å; E298-A313 VanDerWaalsContact O-CB 3.29Å; E298-A313 WeakPolarHBondContact O-CB 3.4Å | ||
| 299 | K | 79.3 | Confident | 82.3 | Confident | 118 Ų | 118 | 51.7 Ų | 51.7 | 51% | 0.513 | 32% | 0.324 | S | S | . | . | trans | -126.3 | 71.7 | 176.2 | -67.9 | 166.4 | -161.9 | 167.5 | 0 | 110.5 | G297 F301 V311 F312 A313 | G297-K299 PolarHBondContact O-N 3.26Å; K299-F301 PolarHBondContact O-N 3.49Å; K299-V311 HydrophobicContact CB-CB 3.86Å; K299-V311 HydrophobicContact CB-CG2 3.86Å; K299-V311 HydrophobicContact CD-CG2 3.79Å; K299-V311 HydrophobicContact CG-CG2 4.44Å; K299-F312 CarbonylContact C-O 3.58Å; K299-F312 VanDerWaalsContact CA-O 3.31Å; K299-F312 WeakPolarHBondContact CA-O 3.3Å; K299-A313 HydrophobicContact CG-CB 4.36Å | ||
| 300 | P | 78.7 | Confident | 82.5 | Confident | 51 Ų | 51 | 56.1 Ų | 56.1 | 33% | 0.331 | 34% | 0.341 | S | S | . | . | trans | -82.9 | 2.1 | -166.5 | 36.1 | -33.2 | 0 | 0 | 0 | 113.4 | E298 P302 F312 | E298-P300 HydrophobicContact CG-CB 4.2Å; E298-P300 HydrophobicContact CG-CG 4.09Å; E298-P300 VanDerWaalsContact OE1-CB 3.28Å; E298-P300 WeakPolarHBondContact OE1-CB 3.47Å; E298-P300 VanDerWaalsContact OE1-CG 3.29Å; E298-P300 WeakPolarHBondContact OE1-CG 3.2Å; P300-P302 VanDerWaalsContact C-CD 3.43Å; P300-P302 WeakPolarHBondContact O-CD 3.4Å; P300-F312 VanDerWaalsContact CD-O 3.31Å; P300-F312 WeakPolarHBondContact CD-O 3.47Å | ||
| 301 | F | 83.7 | Confident | 82.7 | Confident | 60 Ų | 60 | 56.3 Ų | 56.3 | 26% | 0.263 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 81.5 | 178.6 | -55.9 | -73 | 0 | 0 | 0 | 109.9 | K299 F312 S315 L318 | K299-F301 PolarHBondContact O-N 3.49Å; F301-F312 HydrophobicContact CB-CB 4.31Å; F301-F312 WeakPolarHBondContact CB-O 3.46Å; F301-F312 WeakPolarHBondContact CD2-O 3.45Å; F301-F312 PolarHBondContact N-O 3Å; F301-F312 PolarHBondContact O-N 3.49Å; F301-S315 VanDerWaalsContact CD2-N 3.26Å; F301-S315 VanDerWaalsContact CE2-N 3.28Å; F301-L318 HydrophobicContact CB-CB 4.03Å; F301-L318 HydrophobicContact CB-CD2 3.83Å |
| 302 | P | 84.6 | Confident | 82.7 | Confident | 36 Ų | 36 | 57.1 Ų | 57.1 | 23% | 0.234 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 149.4 | 172.5 | 27.6 | -33 | 0 | 0 | 0 | 111.6 | F212 P300 V311 L318 | F212-P302 HydrophobicContact CE1-CG 3.82Å; F212-P302 HydrophobicContact CZ-CG 4.35Å; P300-P302 VanDerWaalsContact C-CD 3.43Å; P300-P302 WeakPolarHBondContact O-CD 3.4Å; P302-V311 HydrophobicContact CB-CG1 4.02Å; P302-L318 WeakPolarHBondContact O-CD2 3.44Å |
| 303 | C | 89.8 | Confident | 82.8 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 3% | 0.027 | 36% | 0.359 | C | S | . | . | trans | -72.2 | 125.8 | 169.6 | -161.8 | 0 | 0 | 0 | 0 | 110.2 | F305 C308 K310 L318 H321 H325 | C303-F305 VanDerWaalsContact C-N 3.25Å; C303-F305 PolarHBondContact O-N 3.22Å; C303-C308 HydrophobicContact CB-CB 4.28Å; C303-K310 VanDerWaalsContact CB-O 3.25Å; C303-K310 WeakPolarHBondContact CB-O 3.46Å; C303-K310 PolarHBondContact N-O 3.46Å; C303-L318 HydrophobicContact CB-CD1 4.15Å; C303-H321 PolarHBondContact SG-CD2 3.39Å; C303-H321 PolarHBondContact SG-NE2 2.98Å; C303-H325 PolarHBondContact SG-NE2 3.27Å | ||
| 304 | P | 86.8 | Confident | 82.9 | Confident | 83 Ų | 83 | 61.9 Ų | 61.9 | 54% | 0.539 | 37% | 0.371 | S | S | . | . | trans | -80.2 | -4.9 | -179.8 | 34.1 | -37.1 | 0 | 0 | 0 | 113.4 | ||||
| 305 | F | 85.9 | Confident | 83 | Confident | 72 Ų | 72 | 60.1 Ų | 60.1 | 32% | 0.316 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -73 | 124.6 | 176.8 | -77.2 | -86 | 0 | 0 | 0 | 109.9 | C303 C308 K322 H325 T326 | C303-F305 VanDerWaalsContact C-N 3.25Å; C303-F305 PolarHBondContact O-N 3.22Å; F305-C308 HydrophobicContact CB-CB 4.12Å; F305-C308 WeakPolarHBondContact O-CB 3.45Å; F305-C308 PolarHBondContact O-N 2.93Å; F305-K322 HydrophobicContact CE2-CB 4.2Å; F305-K322 HydrophobicContact CE2-CG 4.08Å; F305-H325 HydrophobicContact CD1-CB 3.89Å; F305-H325 HydrophobicContact CD2-CB 3.88Å; F305-H325 AromaticContact CD2-CD2 3.46Å; F305-H325 VanDerWaalsContact CD2-CD2 3.46Å; F305-H325 WeakPolarHBondContact CD2-CD2 3.34Å; F305-H325 AromaticContact CD2-CG 3.64Å; F305-H325 HydrophobicContact CE1-CB 3.71Å; F305-H325 HydrophobicContact CE2-CB 3.69Å; F305-H325 AromaticContact CE2-CD2 3.93Å; F305-H325 AromaticContact CE2-CG 3.97Å; F305-H325 HydrophobicContact CG-CB 3.97Å; F305-H325 AromaticContact CG-CD2 3.85Å; F305-H325 AromaticContact CG-CG 3.67Å; F305-H325 AromaticContact CG-ND1 3.98Å; F305-H325 HydrophobicContact CZ-CB 3.61Å; F305-T326 HydrophobicContact CZ-CG2 4.22Å |
| 306 | P | 84.3 | Confident | 83.3 | Confident | 125 Ų | 125 | 61.8 Ų | 61.8 | 81% | 0.812 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 150.7 | 177.9 | 26.9 | -34.4 | 0 | 0 | 0 | 110.8 | C308 | P306-C308 PolarHBondContact O-N 3.01Š|
| 307 | G | 84.8 | Confident | 83.9 | Confident | 91 Ų | 91 | 63.2 Ų | 63.2 | 94% | 0.938 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | -13 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 308 | C | 88.8 | Confident | 84.6 | Confident | 17 Ų | 17 | 62.2 Ų | 62.2 | 12% | 0.115 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -44 | -175.4 | -175.5 | 0 | 0 | 0 | 0 | 114.3 | C303 F305 P306 K310 H321 H325 | C303-C308 HydrophobicContact CB-CB 4.28Å; F305-C308 HydrophobicContact CB-CB 4.12Å; F305-C308 WeakPolarHBondContact O-CB 3.45Å; F305-C308 PolarHBondContact O-N 2.93Å; P306-C308 PolarHBondContact O-N 3.01Å; C308-K310 PolarHBondContact O-N 2.97Å; C308-H321 PolarHBondContact SG-NE2 3.27Å; C308-H325 WeakPolarHBondContact CB-CE1 3.1Å; C308-H325 PolarHBondContact SG-CE1 3.43Å; C308-H325 PolarHBondContact SG-NE2 3.16Å |
| 309 | G | 84.6 | Confident | 85.4 | Confident | 45 Ų | 45 | 67 Ų | 67 | 46% | 0.464 | 38% | 0.383 | S | S | . | . | trans | 65.1 | -14.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 310 | K | 85.1 | Confident | 85.9 | Confident | 119 Ų | 119 | 63.2 Ų | 63.2 | 52% | 0.517 | 37% | 0.369 | S | S | . | . | trans | -68.7 | 134 | -171.9 | -68.1 | 169 | -172.2 | 174.4 | 0 | 112.4 | C303 C308 F312 | C303-K310 VanDerWaalsContact CB-O 3.25Å; C303-K310 WeakPolarHBondContact CB-O 3.46Å; C303-K310 PolarHBondContact N-O 3.46Å; C308-K310 PolarHBondContact O-N 2.97Å; K310-F312 HydrophobicContact CB-CE2 3.73Å; K310-F312 HydrophobicContact CB-CZ 3.9Å | ||
| 311 | V | 86.5 | Confident | 86.5 | Confident | 53 Ų | 53 | 61.6 Ų | 61.6 | 32% | 0.321 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 141.1 | -178.6 | -68.8 | 0 | 0 | 0 | 0 | 111.7 | M215 K299 P302 | M215-V311 HydrophobicContact CE-CG1 4.15Å; K299-V311 HydrophobicContact CB-CB 3.86Å; K299-V311 HydrophobicContact CB-CG2 3.86Å; K299-V311 HydrophobicContact CD-CG2 3.79Å; K299-V311 HydrophobicContact CG-CG2 4.44Å; P302-V311 HydrophobicContact CB-CG1 4.02Å |
| 312 | F | 84.4 | Confident | 86.8 | Confident | 42 Ų | 42 | 62.9 Ų | 62.9 | 18% | 0.184 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 143.2 | -171.6 | -59.9 | -91.7 | 0 | 0 | 0 | 113 | K299 P300 F301 K310 N317 L318 H321 | K299-F312 CarbonylContact C-O 3.58Å; K299-F312 VanDerWaalsContact CA-O 3.31Å; K299-F312 WeakPolarHBondContact CA-O 3.3Å; P300-F312 VanDerWaalsContact CD-O 3.31Å; P300-F312 WeakPolarHBondContact CD-O 3.47Å; F301-F312 HydrophobicContact CB-CB 4.31Å; F301-F312 WeakPolarHBondContact CB-O 3.46Å; F301-F312 WeakPolarHBondContact CD2-O 3.45Å; F301-F312 PolarHBondContact N-O 3Å; F301-F312 PolarHBondContact O-N 3.49Å; K310-F312 HydrophobicContact CB-CE2 3.73Å; K310-F312 HydrophobicContact CB-CZ 3.9Å; F312-N317 HydrophobicContact CB-CB 4.31Å; F312-N317 HydrophobicContact CD1-CB 3.84Å; F312-N317 HydrophobicContact CG-CB 4.37Å; F312-L318 HydrophobicContact CB-CB 4.33Å; F312-L318 HydrophobicContact CD2-CB 4.13Å; F312-L318 HydrophobicContact CD2-CD1 4.15Å; F312-L318 HydrophobicContact CE2-CD1 4.4Å; F312-L318 HydrophobicContact CG-CB 4.35Å; F312-H321 HydrophobicContact CE1-CB 4.01Å; F312-H321 HydrophobicContact CE2-CB 3.99Å; F312-H321 AromaticContact CE2-CD2 3.2Å; F312-H321 WeakPolarHBondContact CE2-CD2 3.45Å; F312-H321 AromaticContact CE2-CG 3.72Å; F312-H321 HydrophobicContact CZ-CB 3.55Å; F312-H321 AromaticContact CZ-CD2 3.3Å; F312-H321 WeakPolarHBondContact CZ-CD2 3.45Å; F312-H321 AromaticContact CZ-CG 3.34Å |
| 313 | A | 82.1 | Confident | 87.1 | Confident | 30 Ų | 30 | 62.9 Ų | 62.9 | 25% | 0.248 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -77.1 | -16.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R293 E298 K299 | R293-A313 WeakPolarHBondContact CD-O 3.41Å; R293-A313 PolarHBondContact NH1-O 3.15Å; E298-A313 WeakPolarHBondContact O-CA 3.23Å; E298-A313 VanDerWaalsContact O-CB 3.29Å; E298-A313 WeakPolarHBondContact O-CB 3.4Å; K299-A313 HydrophobicContact CG-CB 4.36Å |
| 314 | R | 83.5 | Confident | 87.1 | Confident | 107 Ų | 107 | 67.1 Ų | 67.1 | 40% | 0.404 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -135.4 | 135.6 | -178.1 | -64.5 | -166.1 | -74.7 | 89.4 | 0.7 | 111.3 | E316 N317 L318 | R314-E316 VanDerWaalsContact C-N 3.32Å; R314-E316 PolarHBondContact O-N 3.23Å; R314-N317 PolarHBondContact NH1-OD1 2.8Å; R314-N317 PolarHBondContact NH2-ND2 2.73Å; R314-N317 PolarHBondContact NH2-OD1 2.87Å; R314-N317 WeakPolarHBondContact O-CB 3.45Å; R314-N317 PolarHBondContact O-N 2.63Å; R314-L318 PolarHBondContact O-N 3.27Å |
| 315 | S | 84.6 | Confident | 87.1 | Confident | 72 Ų | 72 | 67 Ų | 67 | 50% | 0.503 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -57.2 | -40.5 | 179.7 | 50 | 0 | 0 | 0 | 0 | 113 | F301 N317 L318 K319 | F301-S315 VanDerWaalsContact CD2-N 3.26Å; F301-S315 VanDerWaalsContact CE2-N 3.28Å; S315-N317 VanDerWaalsContact C-N 3.3Å; S315-N317 PolarHBondContact O-N 2.85Å; S315-L318 CarbonylContact O-C 3.33Å; S315-L318 WeakPolarHBondContact O-CB 3.38Å; S315-L318 PolarHBondContact O-N 2.8Å; S315-L318 VanDerWaalsContact O-N 3.15Å; S315-K319 PolarHBondContact O-N 3.25Å |
| 316 | E | 86.9 | Confident | 87.2 | Confident | 86 Ų | 86 | 67.1 Ų | 67.1 | 40% | 0.402 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.8 | -32.5 | 177 | -171.9 | 55.6 | -149.6 | 0 | 0 | 112.5 | R314 K319 I320 | R314-E316 VanDerWaalsContact C-N 3.32Å; R314-E316 PolarHBondContact O-N 3.23Å; E316-K319 PolarHBondContact O-N 3.17Å; E316-K319 WeakPolarHBondContact OE2-CD 3.3Å; E316-I320 HydrophobicContact CG-CD1 4.11Å; E316-I320 WeakPolarHBondContact O-CB 3.45Å; E316-I320 VanDerWaalsContact O-CG1 3.31Å; E316-I320 WeakPolarHBondContact O-CG1 3.25Å; E316-I320 PolarHBondContact O-N 3.44Å |
| 317 | N | 88.9 | Confident | 87.3 | Confident | 54 Ų | 54 | 63.5 Ų | 63.5 | 29% | 0.289 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -68.9 | -38.3 | 174 | -71.2 | 6.2 | 0 | 0 | 0 | 111.1 | F312 R314 S315 H321 | F312-N317 HydrophobicContact CB-CB 4.31Å; F312-N317 HydrophobicContact CD1-CB 3.84Å; F312-N317 HydrophobicContact CG-CB 4.37Å; R314-N317 PolarHBondContact NH1-OD1 2.8Å; R314-N317 PolarHBondContact NH2-ND2 2.73Å; R314-N317 PolarHBondContact NH2-OD1 2.87Å; R314-N317 WeakPolarHBondContact O-CB 3.45Å; R314-N317 PolarHBondContact O-N 2.63Å; S315-N317 VanDerWaalsContact C-N 3.3Å; S315-N317 PolarHBondContact O-N 2.85Å; N317-H321 VanDerWaalsContact O-CB 3.27Å; N317-H321 WeakPolarHBondContact O-CB 3.49Å; N317-H321 PolarHBondContact O-N 2.89Å |
| 318 | L | 90.3 | Very high | 87.6 | Confident | 21 Ų | 21 | 63.7 Ų | 63.7 | 11% | 0.11 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 170.5 | 170.9 | 61.3 | 0 | 0 | 0 | 111 | F301 P302 C303 F312 R314 S315 I320 H321 K322 | F301-L318 HydrophobicContact CB-CB 4.03Å; F301-L318 HydrophobicContact CB-CD2 3.83Å; P302-L318 WeakPolarHBondContact O-CD2 3.44Å; C303-L318 HydrophobicContact CB-CD1 4.15Å; F312-L318 HydrophobicContact CB-CB 4.33Å; F312-L318 HydrophobicContact CD2-CB 4.13Å; F312-L318 HydrophobicContact CD2-CD1 4.15Å; F312-L318 HydrophobicContact CE2-CD1 4.4Å; F312-L318 HydrophobicContact CG-CB 4.35Å; R314-L318 PolarHBondContact O-N 3.27Å; S315-L318 CarbonylContact O-C 3.33Å; S315-L318 WeakPolarHBondContact O-CB 3.38Å; S315-L318 PolarHBondContact O-N 2.8Å; S315-L318 VanDerWaalsContact O-N 3.15Å; L318-I320 PolarHBondContact O-N 2.97Å; L318-H321 CarbonylContact O-C 3.59Å; L318-H321 PolarHBondContact O-N 3.17Å; L318-H321 VanDerWaalsContact O-N 3.16Å; L318-K322 HydrophobicContact CD1-CG 4.16Å; L318-K322 WeakPolarHBondContact O-CG 3.42Å; L318-K322 PolarHBondContact O-N 2.92Å |
| 319 | K | 89.9 | Confident | 87.6 | Confident | 120 Ų | 120 | 68.1 Ų | 68.1 | 52% | 0.522 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 178.3 | -168.6 | -179.3 | -176.1 | 179.9 | 0 | 111.9 | S315 E316 H321 K322 | S315-K319 PolarHBondContact O-N 3.25Å; E316-K319 PolarHBondContact O-N 3.17Å; E316-K319 WeakPolarHBondContact OE2-CD 3.3Å; K319-H321 VanDerWaalsContact C-N 3.35Å; K319-K322 PolarHBondContact O-N 3.16Å |
| 320 | I | 90.2 | Very high | 87.8 | Confident | 40 Ų | 40 | 69 Ų | 69 | 21% | 0.205 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 173.1 | -68.3 | 164.4 | 0 | 0 | 0 | 110.8 | E316 L318 R323 N344 | E316-I320 HydrophobicContact CG-CD1 4.11Å; E316-I320 WeakPolarHBondContact O-CB 3.45Å; E316-I320 VanDerWaalsContact O-CG1 3.31Å; E316-I320 WeakPolarHBondContact O-CG1 3.25Å; E316-I320 PolarHBondContact O-N 3.44Å; L318-I320 PolarHBondContact O-N 2.97Å; I320-R323 WeakPolarHBondContact O-CB 3.4Å; I320-R323 PolarHBondContact O-N 3.09Å; I320-N344 HydrophobicContact CD1-CB 3.77Å; I320-N344 HydrophobicContact CG1-CB 3.94Å; I320-N344 HydrophobicContact CG2-CB 3.85Å |
| 321 | H | 90.4 | Very high | 88.1 | Confident | 16 Ų | 16 | 66.1 Ų | 66.1 | 7% | 0.074 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.6 | -35.3 | 178 | 173.1 | 46 | 0 | 0 | 0 | 113.5 | C303 C308 F312 N317 L318 K319 R323 T324 H325 | C303-H321 PolarHBondContact SG-CD2 3.39Å; C303-H321 PolarHBondContact SG-NE2 2.98Å; C308-H321 PolarHBondContact SG-NE2 3.27Å; F312-H321 HydrophobicContact CE1-CB 4.01Å; F312-H321 HydrophobicContact CE2-CB 3.99Å; F312-H321 AromaticContact CE2-CD2 3.2Å; F312-H321 WeakPolarHBondContact CE2-CD2 3.45Å; F312-H321 AromaticContact CE2-CG 3.72Å; F312-H321 HydrophobicContact CZ-CB 3.55Å; F312-H321 AromaticContact CZ-CD2 3.3Å; F312-H321 WeakPolarHBondContact CZ-CD2 3.45Å; F312-H321 AromaticContact CZ-CG 3.34Å; N317-H321 VanDerWaalsContact O-CB 3.27Å; N317-H321 WeakPolarHBondContact O-CB 3.49Å; N317-H321 PolarHBondContact O-N 2.89Å; L318-H321 CarbonylContact O-C 3.59Å; L318-H321 PolarHBondContact O-N 3.17Å; L318-H321 VanDerWaalsContact O-N 3.16Å; K319-H321 VanDerWaalsContact C-N 3.35Å; H321-R323 PolarHBondContact O-N 2.88Å; H321-R323 VanDerWaalsContact O-N 3.11Å; H321-T324 PolarHBondContact CE1-OG1 3.48Å; H321-T324 VanDerWaalsContact CE1-OG1 3.31Å; H321-T324 PolarHBondContact ND1-OG1 3.46Å; H321-T324 PolarHBondContact O-N 3.24Å; H321-T324 PolarHBondContact O-OG1 2.77Å; H321-H325 AromaticContact CD2-NE2 3.26Å; H321-H325 PolarHBondContact CD2-NE2 3.04Å; H321-H325 VanDerWaalsContact CD2-NE2 3.26Å; H321-H325 AromaticContact CE1-CD2 3.76Å; H321-H325 AromaticContact CE1-NE2 2.45Å; H321-H325 PolarHBondContact CE1-NE2 3.31Å; H321-H325 AromaticContact CG-NE2 3.96Å; H321-H325 AromaticContact ND1-NE2 3.56Å; H321-H325 AromaticContact NE2-CD2 3.82Å; H321-H325 AromaticContact NE2-NE2 2.16Å; H321-H325 PolarHBondContact NE2-NE2 3.44Å |
| 322 | K | 89.8 | Confident | 88.3 | Confident | 87 Ų | 87 | 67.3 Ų | 67.3 | 38% | 0.378 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -54.7 | -32.7 | 174.9 | -74.9 | -174.5 | 178.9 | -168.5 | 0 | 111.9 | F305 L318 K319 T324 H325 T326 | F305-K322 HydrophobicContact CE2-CB 4.2Å; F305-K322 HydrophobicContact CE2-CG 4.08Å; L318-K322 HydrophobicContact CD1-CG 4.16Å; L318-K322 WeakPolarHBondContact O-CG 3.42Å; L318-K322 PolarHBondContact O-N 2.92Å; K319-K322 PolarHBondContact O-N 3.16Å; K322-T324 PolarHBondContact O-N 3.15Å; K322-H325 WeakPolarHBondContact O-CB 3.27Å; K322-H325 PolarHBondContact O-N 3.05Å; K322-T326 PolarHBondContact O-N 2.9Å |
| 323 | R | 91.7 | Very high | 88.7 | Confident | 37 Ų | 37 | 65.8 Ų | 65.8 | 14% | 0.14 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.6 | -19.9 | 174.3 | -59.9 | -170.7 | 173.9 | 125.4 | 3.2 | 115 | I320 H321 H325 T326 G327 E328 A343 | I320-R323 WeakPolarHBondContact O-CB 3.4Å; I320-R323 PolarHBondContact O-N 3.09Å; H321-R323 PolarHBondContact O-N 2.88Å; H321-R323 VanDerWaalsContact O-N 3.11Å; R323-H325 PolarHBondContact O-N 3.39Å; R323-T326 WeakPolarHBondContact CA-OG1 3.37Å; R323-G327 CarbonylContact O-C 3.26Å; R323-G327 WeakPolarHBondContact O-CA 3.31Å; R323-G327 PolarHBondContact O-N 3.34Å; R323-E328 HydrophobicContact CB-CB 3.83Å; R323-E328 WeakPolarHBondContact CB-O 3.49Å; R323-E328 HydrophobicContact CG-CB 3.71Å; R323-E328 IonicContact NE-OE2 3.73Å; R323-E328 PolarHBondContact NE-OE2 3.3Å; R323-E328 PolarHBondContact O-N 3.17Å; R323-A343 HydrophobicContact CB-CB 4.09Å; R323-A343 WeakPolarHBondContact CD-O 3.38Å; R323-A343 PolarHBondContact NH1-O 3.48Å |
| 324 | T | 88.9 | Confident | 89 | Confident | 92 Ų | 92 | 70.8 Ų | 70.8 | 56% | 0.564 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -77.8 | -7.7 | 171.7 | 76.4 | 0 | 0 | 0 | 0 | 112.6 | H321 K322 | H321-T324 PolarHBondContact CE1-OG1 3.48Å; H321-T324 VanDerWaalsContact CE1-OG1 3.31Å; H321-T324 PolarHBondContact ND1-OG1 3.46Å; H321-T324 PolarHBondContact O-N 3.24Å; H321-T324 PolarHBondContact O-OG1 2.77Å; K322-T324 PolarHBondContact O-N 3.15Å |
| 325 | H | 88 | Confident | 89.2 | Confident | 80 Ų | 80 | 70.9 Ų | 70.9 | 37% | 0.37 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -100.6 | -34.5 | 170.8 | -62.4 | -79.7 | 0 | 0 | 0 | 112 | C303 F305 C308 H321 K322 R323 | C303-H325 PolarHBondContact SG-NE2 3.27Å; F305-H325 HydrophobicContact CD1-CB 3.89Å; F305-H325 HydrophobicContact CD2-CB 3.88Å; F305-H325 AromaticContact CD2-CD2 3.46Å; F305-H325 VanDerWaalsContact CD2-CD2 3.46Å; F305-H325 WeakPolarHBondContact CD2-CD2 3.34Å; F305-H325 AromaticContact CD2-CG 3.64Å; F305-H325 HydrophobicContact CE1-CB 3.71Å; F305-H325 HydrophobicContact CE2-CB 3.69Å; F305-H325 AromaticContact CE2-CD2 3.93Å; F305-H325 AromaticContact CE2-CG 3.97Å; F305-H325 HydrophobicContact CG-CB 3.97Å; F305-H325 AromaticContact CG-CD2 3.85Å; F305-H325 AromaticContact CG-CG 3.67Å; F305-H325 AromaticContact CG-ND1 3.98Å; F305-H325 HydrophobicContact CZ-CB 3.61Å; C308-H325 WeakPolarHBondContact CB-CE1 3.1Å; C308-H325 PolarHBondContact SG-CE1 3.43Å; C308-H325 PolarHBondContact SG-NE2 3.16Å; H321-H325 AromaticContact CD2-NE2 3.26Å; H321-H325 PolarHBondContact CD2-NE2 3.04Å; H321-H325 VanDerWaalsContact CD2-NE2 3.26Å; H321-H325 AromaticContact CE1-CD2 3.76Å; H321-H325 AromaticContact CE1-NE2 2.45Å; H321-H325 PolarHBondContact CE1-NE2 3.31Å; H321-H325 AromaticContact CG-NE2 3.96Å; H321-H325 AromaticContact ND1-NE2 3.56Å; H321-H325 AromaticContact NE2-CD2 3.82Å; H321-H325 AromaticContact NE2-NE2 2.16Å; H321-H325 PolarHBondContact NE2-NE2 3.44Å; K322-H325 WeakPolarHBondContact O-CB 3.27Å; K322-H325 PolarHBondContact O-N 3.05Å; R323-H325 PolarHBondContact O-N 3.39Å |
| 326 | T | 87.9 | Confident | 89.2 | Confident | 75 Ų | 75 | 75.8 Ų | 75.8 | 46% | 0.46 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -88.7 | -6.7 | 177.1 | 60.5 | 0 | 0 | 0 | 0 | 114.2 | F305 K322 R323 E328 | F305-T326 HydrophobicContact CZ-CG2 4.22Å; K322-T326 PolarHBondContact O-N 2.9Å; R323-T326 WeakPolarHBondContact CA-OG1 3.37Å; T326-E328 WeakPolarHBondContact CB-OE1 3.43Å; T326-E328 PolarHBondContact O-N 3Å; T326-E328 VanDerWaalsContact OG1-CD 3.3Å; T326-E328 WeakPolarHBondContact OG1-CG 3.43Å; T326-E328 PolarHBondContact OG1-OE1 3.21Å |
| 327 | G | 87.2 | Confident | 89 | Confident | 50 Ų | 50 | 75.5 Ų | 75.5 | 52% | 0.515 | 40% | 0.4 | S | S | . | . | trans | 73.7 | -1.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | R323 K329 | R323-G327 CarbonylContact O-C 3.26Å; R323-G327 WeakPolarHBondContact O-CA 3.31Å; R323-G327 PolarHBondContact O-N 3.34Å; G327-K329 PolarHBondContact O-N 2.77Å; G327-K329 VanDerWaalsContact O-N 3.15Å | ||
| 328 | E | 89.7 | Confident | 89 | Confident | 94 Ų | 94 | 73.7 Ų | 73.7 | 44% | 0.439 | 39% | 0.391 | S | S | . | . | trans | -54.7 | 113.2 | -175.8 | -83.6 | 169.4 | -115.8 | 0 | 0 | 113.5 | R323 T326 P330 | R323-E328 HydrophobicContact CB-CB 3.83Å; R323-E328 WeakPolarHBondContact CB-O 3.49Å; R323-E328 HydrophobicContact CG-CB 3.71Å; R323-E328 IonicContact NE-OE2 3.73Å; R323-E328 PolarHBondContact NE-OE2 3.3Å; R323-E328 PolarHBondContact O-N 3.17Å; T326-E328 WeakPolarHBondContact CB-OE1 3.43Å; T326-E328 PolarHBondContact O-N 3Å; T326-E328 VanDerWaalsContact OG1-CD 3.3Å; T326-E328 WeakPolarHBondContact OG1-CG 3.43Å; T326-E328 PolarHBondContact OG1-OE1 3.21Å; E328-P330 VanDerWaalsContact C-CD 3.41Å; E328-P330 VanDerWaalsContact O-CD 3.29Å; E328-P330 WeakPolarHBondContact O-CD 3.48Å | ||
| 329 | K | 89.3 | Confident | 89 | Confident | 110 Ų | 110 | 78.9 Ų | 78.9 | 48% | 0.478 | 42% | 0.42 | S | S | . | . | trans | -119.2 | 71.7 | 173.1 | -67.1 | 164.4 | -172.5 | 170.8 | 0 | 110.2 | G327 F331 R341 F342 | G327-K329 PolarHBondContact O-N 2.77Å; G327-K329 VanDerWaalsContact O-N 3.15Å; K329-F331 VanDerWaalsContact C-N 3.3Å; K329-F331 PolarHBondContact O-N 3.45Å; K329-R341 HydrophobicContact CB-CB 3.62Å; K329-R341 PolarHBondContact O-NE 3.21Å; K329-R341 PolarHBondContact O-NH2 3.01Å; K329-F342 CarbonylContact C-O 3.22Å; K329-F342 WeakPolarHBondContact CA-O 3.49Å | ||
| 330 | P | 89 | Confident | 88.9 | Confident | 63 Ų | 63 | 80.3 Ų | 80.3 | 41% | 0.409 | 42% | 0.422 | S | S | . | . | trans | -71.3 | -20.3 | -173.8 | 27.7 | -34.4 | 0 | 0 | 0 | 113.8 | E328 Q332 | E328-P330 VanDerWaalsContact C-CD 3.41Å; E328-P330 VanDerWaalsContact O-CD 3.29Å; E328-P330 WeakPolarHBondContact O-CD 3.48Å; P330-Q332 PolarHBondContact O-N 3.3Å | ||
| 331 | F | 90.3 | Very high | 89 | Confident | 60 Ų | 60 | 84.8 Ų | 84.8 | 26% | 0.263 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 91.3 | -177.8 | -57 | -78.7 | 0 | 0 | 0 | 110.6 | K329 R341 F342 N344 R348 | K329-F331 VanDerWaalsContact C-N 3.3Å; K329-F331 PolarHBondContact O-N 3.45Å; F331-R341 WeakPolarHBondContact O-CA 3.46Å; F331-F342 HydrophobicContact CB-CB 4.33Å; F331-F342 PolarHBondContact N-O 2.5Å; F331-F342 VanDerWaalsContact N-O 3.11Å; F331-F342 PolarHBondContact O-N 2.68Å; F331-N344 VanDerWaalsContact CD2-CA 3.41Å; F331-R348 HydrophobicContact CB-CB 4.29Å |
| 332 | Q | 91.3 | Very high | 89 | Confident | 77 Ų | 77 | 85.8 Ų | 85.8 | 36% | 0.36 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 145.4 | 169.1 | -172.6 | 162.2 | -15 | 0 | 0 | 110.7 | P330 R341 R348 | P330-Q332 PolarHBondContact O-N 3.3Å; Q332-R341 HydrophobicContact CB-CG 4.01Å; Q332-R341 HydrophobicContact CG-CG 4.03Å; Q332-R348 WeakPolarHBondContact O-CD 3.47Å; Q332-R348 PolarHBondContact O-NH1 2.86Å |
| 333 | C | 92.2 | Very high | 89 | Confident | 11 Ų | 11 | 82.6 Ų | 82.6 | 7% | 0.074 | 43% | 0.43 | C | S | . | . | trans | -55.5 | 145.2 | 168.7 | 175.7 | 0 | 0 | 0 | 0 | 111.4 | F335 C338 R340 M352 H355 | C333-F335 PolarHBondContact SG-N 2.82Å; C333-F335 VanDerWaalsContact SG-N 3.44Å; C333-C338 VanDerWaalsContact CB-O 3.31Å; C333-C338 WeakPolarHBondContact CB-O 3.45Å; C333-R340 VanDerWaalsContact CB-O 3.31Å; C333-R340 WeakPolarHBondContact CB-O 3.37Å; C333-R340 PolarHBondContact N-O 3.42Å; C333-M352 HydrophobicContact CB-CE 3.93Å; C333-M352 WeakPolarHBondContact SG-CE 3.25Å; C333-H355 PolarHBondContact SG-NE2 3.43Å | ||
| 334 | E | 89.4 | Confident | 88.9 | Confident | 135 Ų | 135 | 81.9 Ų | 81.9 | 63% | 0.631 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -103.9 | 21.3 | -177.7 | -68.7 | 159.9 | 161.5 | 0 | 0 | 111.8 | R348 | E334-R348 IonicContact OE1-CZ 3.21Å; E334-R348 IonicContact OE1-NH1 2.75Å; E334-R348 PolarHBondContact OE1-NH1 3.03Å; E334-R348 IonicContact OE1-NH2 2.81Å; E334-R348 PolarHBondContact OE1-NH2 3.45Å; E334-R348 IonicContact OE2-CZ 3.11Å; E334-R348 IonicContact OE2-NE 3.74Å; E334-R348 IonicContact OE2-NH1 3.5Å; E334-R348 PolarHBondContact OE2-NH1 3.11Å; E334-R348 IonicContact OE2-NH2 2.7Å; E334-R348 PolarHBondContact OE2-NH2 3.44Å |
| 335 | F | 87 | Confident | 89 | Confident | 109 Ų | 109 | 80.3 Ų | 80.3 | 48% | 0.478 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -110.2 | 126.8 | 176.9 | -175.1 | -90.8 | 0 | 0 | 0 | 109 | C333 C338 H355 | C333-F335 PolarHBondContact SG-N 2.82Å; C333-F335 VanDerWaalsContact SG-N 3.44Å; F335-C338 HydrophobicContact CB-CB 4.46Å; F335-C338 HydrophobicContact CD1-CB 4.14Å; F335-C338 WeakPolarHBondContact O-CB 3.41Å; F335-C338 PolarHBondContact O-N 3.5Å; F335-C338 VanDerWaalsContact O-N 3.16Å; F335-H355 VanDerWaalsContact CB-CD2 3.43Å; F335-H355 WeakPolarHBondContact CB-CD2 3.43Å; F335-H355 HydrophobicContact CD1-CB 4.4Å; F335-H355 AromaticContact CD1-CG 3.85Å; F335-H355 AromaticContact CD1-ND1 3.76Å; F335-H355 HydrophobicContact CD2-CB 3.7Å; F335-H355 AromaticContact CD2-CG 3.93Å; F335-H355 HydrophobicContact CE2-CB 3.91Å; F335-H355 HydrophobicContact CG-CB 3.97Å; F335-H355 AromaticContact CG-CD2 3.64Å; F335-H355 AromaticContact CG-CG 3.63Å; F335-H355 HydrophobicContact CZ-CB 4.35Å |
| 336 | E | 84.3 | Confident | 89 | Confident | 174 Ų | 174 | 80 Ų | 80 | 81% | 0.813 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 137.6 | -177.6 | -63 | -55.3 | 146.4 | 0 | 0 | 111.8 | C338 | E336-C338 VanDerWaalsContact C-N 3.33Š|
| 337 | G | 84.2 | Confident | 89 | Confident | 81 Ų | 81 | 79.3 Ų | 79.3 | 84% | 0.835 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 13.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 338 | C | 88.4 | Confident | 89.2 | Confident | 15 Ų | 15 | 79.2 Ų | 79.2 | 10% | 0.101 | 41% | 0.406 | C | S | . | . | trans | -127.2 | 89.5 | 177.3 | 179.1 | 0 | 0 | 0 | 0 | 113.3 | C333 F335 E336 R340 H351 H355 | C333-C338 VanDerWaalsContact CB-O 3.31Å; C333-C338 WeakPolarHBondContact CB-O 3.45Å; F335-C338 HydrophobicContact CB-CB 4.46Å; F335-C338 HydrophobicContact CD1-CB 4.14Å; F335-C338 WeakPolarHBondContact O-CB 3.41Å; F335-C338 PolarHBondContact O-N 3.5Å; F335-C338 VanDerWaalsContact O-N 3.16Å; E336-C338 VanDerWaalsContact C-N 3.33Å; C338-R340 PolarHBondContact O-N 3.04Å; C338-H351 PolarHBondContact SG-NE2 3.09Å; C338-H355 WeakPolarHBondContact CB-CE1 3.33Å; C338-H355 WeakPolarHBondContact CB-NE2 3.39Å; C338-H355 PolarHBondContact SG-CE1 2.68Å; C338-H355 PolarHBondContact SG-NE2 2.84Å | ||
| 339 | D | 89.3 | Confident | 89.1 | Confident | 131 Ų | 131 | 81.9 Ų | 81.9 | 70% | 0.701 | 42% | 0.416 | S | S | * | . | trans | -71 | 18.5 | -179.6 | -60.6 | -64.5 | 0 | 0 | 0 | 115.9 | R341 | D339-R341 WeakPolarHBondContact O-CG 3.5Å; D339-R341 PolarHBondContact O-N 2.47Å | ||
| 340 | R | 88.8 | Confident | 88.8 | Confident | 150 Ų | 150 | 81.6 Ų | 81.6 | 57% | 0.566 | 42% | 0.415 | S | S | * | . | trans | -75 | 117.2 | -172.6 | -141.5 | 169.6 | -166 | 149.2 | 2 | 110.8 | C333 C338 F342 H351 | C333-R340 VanDerWaalsContact CB-O 3.31Å; C333-R340 WeakPolarHBondContact CB-O 3.37Å; C333-R340 PolarHBondContact N-O 3.42Å; C338-R340 PolarHBondContact O-N 3.04Å; R340-F342 HydrophobicContact CB-CE2 4.04Å; R340-F342 HydrophobicContact CB-CZ 4.25Å; R340-F342 HydrophobicContact CG-CE2 4.22Å; R340-F342 HydrophobicContact CG-CZ 3.97Å; R340-F342 VanDerWaalsContact O-CE2 3.28Å; R340-F342 WeakPolarHBondContact O-CE2 3.38Å; R340-H351 WeakPolarHBondContact CD-NE2 3.47Å | ||
| 341 | R | 92.2 | Very high | 88.8 | Confident | 133 Ų | 133 | 79.4 Ų | 79.4 | 50% | 0.502 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 143.9 | -176.6 | -57.1 | 179.6 | 66.2 | 146 | 4.4 | 112.9 | K329 F331 Q332 D339 | K329-R341 HydrophobicContact CB-CB 3.62Å; K329-R341 PolarHBondContact O-NE 3.21Å; K329-R341 PolarHBondContact O-NH2 3.01Å; F331-R341 WeakPolarHBondContact O-CA 3.46Å; Q332-R341 HydrophobicContact CB-CG 4.01Å; Q332-R341 HydrophobicContact CG-CG 4.03Å; D339-R341 WeakPolarHBondContact O-CG 3.5Å; D339-R341 PolarHBondContact O-N 2.47Å |
| 342 | F | 90.3 | Very high | 88.5 | Confident | 37 Ų | 37 | 78.2 Ų | 78.2 | 16% | 0.162 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 147.7 | -172.2 | -60 | -92.5 | 0 | 0 | 0 | 112.7 | K329 F331 R340 N344 D347 R348 H351 | K329-F342 CarbonylContact C-O 3.22Å; K329-F342 WeakPolarHBondContact CA-O 3.49Å; F331-F342 HydrophobicContact CB-CB 4.33Å; F331-F342 PolarHBondContact N-O 2.5Å; F331-F342 VanDerWaalsContact N-O 3.11Å; F331-F342 PolarHBondContact O-N 2.68Å; R340-F342 HydrophobicContact CB-CE2 4.04Å; R340-F342 HydrophobicContact CB-CZ 4.25Å; R340-F342 HydrophobicContact CG-CE2 4.22Å; R340-F342 HydrophobicContact CG-CZ 3.97Å; R340-F342 VanDerWaalsContact O-CE2 3.28Å; R340-F342 WeakPolarHBondContact O-CE2 3.38Å; F342-N344 VanDerWaalsContact C-N 3.3Å; F342-N344 WeakPolarHBondContact CB-O 3.43Å; F342-N344 PolarHBondContact O-N 3.08Å; F342-D347 HydrophobicContact CD1-CB 4.08Å; F342-R348 HydrophobicContact CB-CB 4.19Å; F342-R348 HydrophobicContact CD2-CB 3.74Å; F342-R348 HydrophobicContact CD2-CG 3.96Å; F342-R348 HydrophobicContact CE2-CB 4.46Å; F342-R348 HydrophobicContact CE2-CG 4.39Å; F342-R348 HydrophobicContact CG-CB 4.02Å; F342-H351 HydrophobicContact CE1-CB 4.08Å; F342-H351 HydrophobicContact CE2-CB 4.14Å; F342-H351 AromaticContact CE2-CD2 3.42Å; F342-H351 VanDerWaalsContact CE2-CD2 3.42Å; F342-H351 WeakPolarHBondContact CE2-CD2 3.48Å; F342-H351 HydrophobicContact CZ-CB 3.55Å; F342-H351 AromaticContact CZ-CD2 3.28Å; F342-H351 WeakPolarHBondContact CZ-CD2 3.35Å; F342-H351 AromaticContact CZ-CG 3.49Å; F342-H351 VanDerWaalsContact CZ-CG 3.49Å |
| 343 | A | 89.1 | Confident | 88.1 | Confident | 21 Ų | 21 | 77.4 Ų | 77.4 | 17% | 0.174 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -75.3 | -15.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R323 | R323-A343 HydrophobicContact CB-CB 4.09Å; R323-A343 WeakPolarHBondContact CD-O 3.38Å; R323-A343 PolarHBondContact NH1-O 3.48Å |
| 344 | N | 91.2 | Very high | 87.6 | Confident | 21 Ų | 21 | 81.3 Ų | 81.3 | 11% | 0.112 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -144.3 | 153.5 | 173.6 | 72.5 | 80.7 | 0 | 0 | 0 | 112.3 | I320 F331 F342 S346 D347 R348 | I320-N344 HydrophobicContact CD1-CB 3.77Å; I320-N344 HydrophobicContact CG1-CB 3.94Å; I320-N344 HydrophobicContact CG2-CB 3.85Å; F331-N344 VanDerWaalsContact CD2-CA 3.41Å; F342-N344 VanDerWaalsContact C-N 3.3Å; F342-N344 WeakPolarHBondContact CB-O 3.43Å; F342-N344 PolarHBondContact O-N 3.08Å; N344-S346 VanDerWaalsContact C-N 3.31Å; N344-S346 PolarHBondContact O-N 2.89Å; N344-S346 WeakPolarHBondContact OD1-CB 3.47Å; N344-S346 PolarHBondContact OD1-N 3.35Å; N344-S346 VanDerWaalsContact OD1-N 3.09Å; N344-D347 PolarHBondContact ND2-OD2 2.95Å; N344-D347 PolarHBondContact OD1-N 3.29Å; N344-D347 PolarHBondContact OD1-OD2 3.38Å; N344-R348 PolarHBondContact O-N 3.21Å |
| 345 | S | 89.1 | Confident | 87.3 | Confident | 59 Ų | 59 | 77.7 Ų | 77.7 | 41% | 0.413 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69.6 | -24.7 | -177.9 | 53.5 | 0 | 0 | 0 | 0 | 113.9 | K349 | S345-K349 PolarHBondContact O-N 3.27Å |
| 346 | S | 88.4 | Confident | 86.7 | Confident | 73 Ų | 73 | 76.9 Ų | 76.9 | 51% | 0.51 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -71.8 | -40.8 | -178.8 | -64.8 | 0 | 0 | 0 | 0 | 111.4 | N344 K349 K350 | N344-S346 VanDerWaalsContact C-N 3.31Å; N344-S346 PolarHBondContact O-N 2.89Å; N344-S346 WeakPolarHBondContact OD1-CB 3.47Å; N344-S346 PolarHBondContact OD1-N 3.35Å; N344-S346 VanDerWaalsContact OD1-N 3.09Å; S346-K349 PolarHBondContact O-N 3.1Å; S346-K350 WeakPolarHBondContact O-CG 3.43Å; S346-K350 PolarHBondContact O-N 2.98Å |
| 347 | D | 88.7 | Confident | 85.9 | Confident | 61 Ų | 61 | 72.9 Ų | 72.9 | 33% | 0.326 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -74.1 | -33.1 | 176.6 | -65.7 | -25.1 | 0 | 0 | 0 | 111.8 | F342 N344 K350 H351 | F342-D347 HydrophobicContact CD1-CB 4.08Å; N344-D347 PolarHBondContact ND2-OD2 2.95Å; N344-D347 PolarHBondContact OD1-N 3.29Å; N344-D347 PolarHBondContact OD1-OD2 3.38Å; D347-K350 PolarHBondContact O-N 3.15Å; D347-K350 WeakPolarHBondContact OD1-CE 3.38Å; D347-K350 IonicContact OD1-NZ 2.64Å; D347-K350 PolarHBondContact OD1-NZ 3.32Å; D347-H351 PolarHBondContact O-N 2.66Å |
| 348 | R | 90.9 | Very high | 85.3 | Confident | 48 Ų | 48 | 73.1 Ų | 73.1 | 18% | 0.181 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -56.7 | -51.8 | 164.3 | -173.4 | -171.2 | 69.6 | 168.5 | 13.9 | 110.9 | F331 Q332 E334 F342 N344 K350 H351 M352 | F331-R348 HydrophobicContact CB-CB 4.29Å; Q332-R348 WeakPolarHBondContact O-CD 3.47Å; Q332-R348 PolarHBondContact O-NH1 2.86Å; E334-R348 IonicContact OE1-CZ 3.21Å; E334-R348 IonicContact OE1-NH1 2.75Å; E334-R348 PolarHBondContact OE1-NH1 3.03Å; E334-R348 IonicContact OE1-NH2 2.81Å; E334-R348 PolarHBondContact OE1-NH2 3.45Å; E334-R348 IonicContact OE2-CZ 3.11Å; E334-R348 IonicContact OE2-NE 3.74Å; E334-R348 IonicContact OE2-NH1 3.5Å; E334-R348 PolarHBondContact OE2-NH1 3.11Å; E334-R348 IonicContact OE2-NH2 2.7Å; E334-R348 PolarHBondContact OE2-NH2 3.44Å; F342-R348 HydrophobicContact CB-CB 4.19Å; F342-R348 HydrophobicContact CD2-CB 3.74Å; F342-R348 HydrophobicContact CD2-CG 3.96Å; F342-R348 HydrophobicContact CE2-CB 4.46Å; F342-R348 HydrophobicContact CE2-CG 4.39Å; F342-R348 HydrophobicContact CG-CB 4.02Å; N344-R348 PolarHBondContact O-N 3.21Å; R348-K350 VanDerWaalsContact C-N 3.3Å; R348-K350 PolarHBondContact O-N 3.08Å; R348-H351 WeakPolarHBondContact O-CA 3.26Å; R348-H351 WeakPolarHBondContact O-CB 3.33Å; R348-H351 PolarHBondContact O-N 3.48Å; R348-M352 HydrophobicContact CG-CE 4.08Å; R348-M352 HydrophobicContact CG-SD 4.41Å; R348-M352 WeakPolarHBondContact O-CE 3.47Å; R348-M352 WeakPolarHBondContact O-CG 3.29Å; R348-M352 PolarHBondContact O-N 3.17Å |
| 349 | K | 87.6 | Confident | 84.5 | Confident | 150 Ų | 150 | 77.5 Ų | 77.5 | 65% | 0.652 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -59.5 | -40.1 | -179.6 | -173.4 | 166.1 | -177.2 | 168.7 | 0 | 112 | S345 S346 H351 M352 H353 | S345-K349 PolarHBondContact O-N 3.27Å; S346-K349 PolarHBondContact O-N 3.1Å; K349-H351 VanDerWaalsContact C-N 3.29Å; K349-H351 PolarHBondContact O-N 2.73Å; K349-M352 PolarHBondContact O-N 2.89Å; K349-H353 PolarHBondContact O-CD2 3.15Å |
| 350 | K | 84.3 | Confident | 84 | Confident | 105 Ų | 105 | 74.6 Ų | 74.6 | 46% | 0.457 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.3 | -35.6 | 173.3 | -68.7 | 169.4 | -160.2 | 164.3 | 0 | 113.1 | S346 D347 R348 H353 H372 | S346-K350 WeakPolarHBondContact O-CG 3.43Å; S346-K350 PolarHBondContact O-N 2.98Å; D347-K350 PolarHBondContact O-N 3.15Å; D347-K350 WeakPolarHBondContact OD1-CE 3.38Å; D347-K350 IonicContact OD1-NZ 2.64Å; D347-K350 PolarHBondContact OD1-NZ 3.32Å; R348-K350 VanDerWaalsContact C-N 3.3Å; R348-K350 PolarHBondContact O-N 3.08Å; K350-H353 PolarHBondContact O-CD2 2.94Å; K350-H372 PolarHBondContact O-NE2 2.92Å; K350-H372 VanDerWaalsContact O-NE2 3.14Å |
| 351 | H | 87.2 | Confident | 83.6 | Confident | 16 Ų | 16 | 71.7 Ų | 71.7 | 7% | 0.074 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -69.8 | -29.3 | 177.8 | 173.2 | 42.5 | 0 | 0 | 0 | 112.9 | C338 R340 F342 D347 R348 K349 H353 V354 H355 | C338-H351 PolarHBondContact SG-NE2 3.09Å; R340-H351 WeakPolarHBondContact CD-NE2 3.47Å; F342-H351 HydrophobicContact CE1-CB 4.08Å; F342-H351 HydrophobicContact CE2-CB 4.14Å; F342-H351 AromaticContact CE2-CD2 3.42Å; F342-H351 VanDerWaalsContact CE2-CD2 3.42Å; F342-H351 WeakPolarHBondContact CE2-CD2 3.48Å; F342-H351 HydrophobicContact CZ-CB 3.55Å; F342-H351 AromaticContact CZ-CD2 3.28Å; F342-H351 WeakPolarHBondContact CZ-CD2 3.35Å; F342-H351 AromaticContact CZ-CG 3.49Å; F342-H351 VanDerWaalsContact CZ-CG 3.49Å; D347-H351 PolarHBondContact O-N 2.66Å; R348-H351 WeakPolarHBondContact O-CA 3.26Å; R348-H351 WeakPolarHBondContact O-CB 3.33Å; R348-H351 PolarHBondContact O-N 3.48Å; K349-H351 VanDerWaalsContact C-N 3.29Å; K349-H351 PolarHBondContact O-N 2.73Å; H351-H353 PolarHBondContact O-N 2.87Å; H351-H353 VanDerWaalsContact O-N 3.14Å; H351-V354 VanDerWaalsContact O-CB 3.24Å; H351-V354 WeakPolarHBondContact O-CB 3.41Å; H351-V354 WeakPolarHBondContact O-CG2 3.38Å; H351-V354 PolarHBondContact O-N 3.3Å; H351-H355 AromaticContact CD2-NE2 3.75Å; H351-H355 AromaticContact CE1-NE2 3.61Å; H351-H355 AromaticContact NE2-NE2 3.03Å; H351-H355 PolarHBondContact NE2-NE2 2.92Å |
| 352 | M | 85 | Confident | 83.3 | Confident | 36 Ų | 36 | 70.9 Ų | 70.9 | 18% | 0.177 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.4 | -29.9 | -178 | -55 | -58.5 | 78.1 | 0 | 0 | 112.5 | C333 R348 K349 V354 H355 T356 | C333-M352 HydrophobicContact CB-CE 3.93Å; C333-M352 WeakPolarHBondContact SG-CE 3.25Å; R348-M352 HydrophobicContact CG-CE 4.08Å; R348-M352 HydrophobicContact CG-SD 4.41Å; R348-M352 WeakPolarHBondContact O-CE 3.47Å; R348-M352 WeakPolarHBondContact O-CG 3.29Å; R348-M352 PolarHBondContact O-N 3.17Å; K349-M352 PolarHBondContact O-N 2.89Å; M352-V354 PolarHBondContact O-N 3.23Å; M352-V354 VanDerWaalsContact O-N 3.1Å; M352-H355 PolarHBondContact O-N 3.34Å; M352-T356 PolarHBondContact O-N 2.97Å; M352-T356 PolarHBondContact O-OG1 2.85Å; M352-T356 VanDerWaalsContact O-OG1 3.12Å |
| 353 | H | 82.8 | Confident | 83.2 | Confident | 59 Ų | 59 | 69.7 Ų | 69.7 | 27% | 0.273 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.5 | -12.4 | 173 | -59.4 | -83.2 | 0 | 0 | 0 | 114.4 | K349 K350 H351 H372 | K349-H353 PolarHBondContact O-CD2 3.15Å; K350-H353 PolarHBondContact O-CD2 2.94Å; H351-H353 PolarHBondContact O-N 2.87Å; H351-H353 VanDerWaalsContact O-N 3.14Å; H353-H372 AromaticContact CD2-CE1 3.64Å; H353-H372 AromaticContact CD2-NE2 3.79Å |
| 354 | V | 82.3 | Confident | 83 | Confident | 93 Ų | 93 | 78.3 Ų | 78.3 | 56% | 0.564 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -71.6 | -37.8 | 169.7 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | H351 M352 | H351-V354 VanDerWaalsContact O-CB 3.24Å; H351-V354 WeakPolarHBondContact O-CB 3.41Å; H351-V354 WeakPolarHBondContact O-CG2 3.38Å; H351-V354 PolarHBondContact O-N 3.3Å; M352-V354 PolarHBondContact O-N 3.23Å; M352-V354 VanDerWaalsContact O-N 3.1Å |
| 355 | H | 82.2 | Confident | 82.7 | Confident | 60 Ų | 60 | 83.2 Ų | 83.2 | 28% | 0.278 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -80 | -39.2 | -179.7 | -57.3 | -49.7 | 0 | 0 | 0 | 111.9 | C333 F335 C338 H351 M352 S357 | C333-H355 PolarHBondContact SG-NE2 3.43Å; F335-H355 VanDerWaalsContact CB-CD2 3.43Å; F335-H355 WeakPolarHBondContact CB-CD2 3.43Å; F335-H355 HydrophobicContact CD1-CB 4.4Å; F335-H355 AromaticContact CD1-CG 3.85Å; F335-H355 AromaticContact CD1-ND1 3.76Å; F335-H355 HydrophobicContact CD2-CB 3.7Å; F335-H355 AromaticContact CD2-CG 3.93Å; F335-H355 HydrophobicContact CE2-CB 3.91Å; F335-H355 HydrophobicContact CG-CB 3.97Å; F335-H355 AromaticContact CG-CD2 3.64Å; F335-H355 AromaticContact CG-CG 3.63Å; F335-H355 HydrophobicContact CZ-CB 4.35Å; C338-H355 WeakPolarHBondContact CB-CE1 3.33Å; C338-H355 WeakPolarHBondContact CB-NE2 3.39Å; C338-H355 PolarHBondContact SG-CE1 2.68Å; C338-H355 PolarHBondContact SG-NE2 2.84Å; H351-H355 AromaticContact CD2-NE2 3.75Å; H351-H355 AromaticContact CE1-NE2 3.61Å; H351-H355 AromaticContact NE2-NE2 3.03Å; H351-H355 PolarHBondContact NE2-NE2 2.92Å; M352-H355 PolarHBondContact O-N 3.34Å; H355-S357 PolarHBondContact O-N 3.14Å |
| 356 | T | 74.4 | Confident | 82.7 | Confident | 91 Ų | 91 | 81.9 Ų | 81.9 | 56% | 0.558 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -67.3 | -16.7 | 179.4 | -34.3 | 0 | 0 | 0 | 0 | 113.2 | M352 D358 | M352-T356 PolarHBondContact O-N 2.97Å; M352-T356 PolarHBondContact O-OG1 2.85Å; M352-T356 VanDerWaalsContact O-OG1 3.12Å; T356-D358 HydrophobicContact CG2-CB 4.05Å; T356-D358 PolarHBondContact O-N 3.38Å |
| 357 | S | 67.6 | Low | 82.4 | Confident | 90 Ų | 90 | 85.9 Ų | 85.9 | 63% | 0.629 | 44% | 0.435 | S | S | * | . | trans | 55.9 | -5.9 | -173 | -64.3 | 0 | 0 | 0 | 0 | 116.8 | H355 | H355-S357 PolarHBondContact O-N 3.14Š| ||
| 358 | D | 70.8 | Confident | 82.1 | Confident | 87 Ų | 87 | 88.7 Ų | 88.7 | 47% | 0.465 | 44% | 0.444 | S | S | . | . | trans | -69.1 | 129.2 | -173.9 | -174.3 | 16.3 | 0 | 0 | 0 | 112.5 | T356 P360 | T356-D358 HydrophobicContact CG2-CB 4.05Å; T356-D358 PolarHBondContact O-N 3.38Å; D358-P360 WeakPolarHBondContact O-CD 3.28Å; D358-P360 WeakPolarHBondContact OD1-CD 3.34Å | ||
| 359 | K | 73.6 | Confident | 81.8 | Confident | 106 Ų | 106 | 88.5 Ų | 88.5 | 46% | 0.461 | 45% | 0.45 | S | S | . | . | trans | -124.5 | 61.4 | -174.3 | -65.1 | 172.9 | -172.3 | 173.9 | 0 | 110.9 | Y361 S369 Y370 T371 | K359-Y361 PolarHBondContact O-N 3.3Å; K359-S369 VanDerWaalsContact CD-OG 3.23Å; K359-S369 WeakPolarHBondContact CD-OG 3.38Å; K359-Y370 CarbonylContact C-O 3.52Å; K359-Y370 VanDerWaalsContact C-O 3.26Å; K359-Y370 VanDerWaalsContact CA-O 3.28Å; K359-Y370 WeakPolarHBondContact CA-O 3.33Å; K359-T371 HydrophobicContact CG-CG2 3.82Å | ||
| 360 | P | 77.1 | Confident | 81.5 | Confident | 71 Ų | 71 | 84 Ų | 84 | 46% | 0.461 | 43% | 0.429 | S | S | . | . | trans | -69.9 | -6.2 | -171.5 | 30.4 | -36.5 | 0 | 0 | 0 | 113.7 | D358 L362 | D358-P360 WeakPolarHBondContact O-CD 3.28Å; D358-P360 WeakPolarHBondContact OD1-CD 3.34Å; P360-L362 PolarHBondContact O-N 3.43Å | ||
| 361 | Y | 82.1 | Confident | 81.3 | Confident | 89 Ų | 89 | 81 Ų | 81 | 35% | 0.349 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 79 | 179.8 | -53.9 | -70.3 | 0 | 0 | 0 | 110.7 | K359 Y370 P373 | K359-Y361 PolarHBondContact O-N 3.3Å; Y361-Y370 WeakPolarHBondContact CB-O 3.48Å; Y361-Y370 WeakPolarHBondContact CD2-O 3.24Å; Y361-Y370 PolarHBondContact N-O 2.92Å; Y361-Y370 PolarHBondContact O-N 3.23Å; Y361-P373 HydrophobicContact CD1-CB 3.77Å; Y361-P373 HydrophobicContact CD1-CG 4.47Å; Y361-P373 HydrophobicContact CE1-CB 3.79Å; Y361-P373 HydrophobicContact CE1-CG 4.07Å; Y361-P373 VanDerWaalsContact CE2-CD 3.49Å; Y361-P373 HydrophobicContact CE2-CG 4.31Å; Y361-P373 HydrophobicContact CG-CB 4.14Å |
| 362 | L | 85.4 | Confident | 81 | Confident | 115 Ų | 115 | 82 Ų | 82 | 60% | 0.602 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 143.4 | 174.2 | -73.9 | 160.4 | 0 | 0 | 0 | 112.1 | P360 L376 | P360-L362 PolarHBondContact O-N 3.43Å; L362-L376 WeakPolarHBondContact O-CD2 3.46Å |
| 363 | C | 87.8 | Confident | 80.9 | Confident | 13 Ų | 13 | 83 Ų | 83 | 9% | 0.088 | 43% | 0.434 | C | S | . | . | trans | -78.9 | 148 | 163.8 | -176.5 | 0 | 0 | 0 | 0 | 110.8 | M365 C366 K368 L376 H379 M380 H383 | C363-M365 PolarHBondContact SG-N 3.11Å; C363-M365 VanDerWaalsContact SG-N 3.43Å; C363-C366 CarbonylContact C-O 3.48Å; C363-C366 VanDerWaalsContact CB-O 3.25Å; C363-C366 WeakPolarHBondContact CB-O 3.23Å; C363-K368 VanDerWaalsContact CB-O 3.26Å; C363-K368 WeakPolarHBondContact CB-O 3.28Å; C363-K368 PolarHBondContact N-O 3.39Å; C363-L376 HydrophobicContact CB-CD1 3.91Å; C363-H379 PolarHBondContact SG-NE2 3.18Å; C363-M380 HydrophobicContact CB-CE 4Å; C363-M380 WeakPolarHBondContact SG-CE 3.49Å; C363-H383 PolarHBondContact SG-NE2 2.97Å | ||
| 364 | K | 85 | Confident | 81 | Confident | 201 Ų | 201 | 83.2 Ų | 83.2 | 87% | 0.874 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -96.8 | -9.2 | 178.4 | -64 | -168.6 | 175.3 | -169.3 | 0 | 113.5 | ||
| 365 | M | 83.9 | Confident | 81.2 | Confident | 124 Ų | 124 | 80.9 Ų | 80.9 | 61% | 0.611 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -108.9 | -8.5 | -175.5 | -59.8 | -78 | -78 | 0 | 0 | 112.2 | C363 H383 | C363-M365 PolarHBondContact SG-N 3.11Å; C363-M365 VanDerWaalsContact SG-N 3.43Å; M365-H383 HydrophobicContact CB-CB 4.45Å; M365-H383 HydrophobicContact CE-CB 4.06Å; M365-H383 HydrophobicContact CG-CB 4.34Å; M365-H383 PolarHBondContact O-CE1 3.48Å |
| 366 | C | 89 | Confident | 81.5 | Confident | 31 Ų | 31 | 79.5 Ų | 79.5 | 21% | 0.209 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -170.8 | 164.6 | 172 | 62.6 | 0 | 0 | 0 | 0 | 109.2 | C363 K368 H379 H383 | C363-C366 CarbonylContact C-O 3.48Å; C363-C366 VanDerWaalsContact CB-O 3.25Å; C363-C366 WeakPolarHBondContact CB-O 3.23Å; C366-K368 PolarHBondContact O-N 3.49Å; C366-H379 PolarHBondContact SG-NE2 3.4Å; C366-H383 VanDerWaalsContact CB-CE1 3.45Å; C366-H383 WeakPolarHBondContact CB-CE1 2.91Å; C366-H383 PolarHBondContact SG-CE1 3.28Å; C366-H383 PolarHBondContact SG-NE2 3.06Å |
| 367 | D | 82.6 | Confident | 82.2 | Confident | 158 Ų | 158 | 83.5 Ų | 83.5 | 85% | 0.845 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -73.7 | 18.8 | -171.8 | -45.5 | -74.4 | 0 | 0 | 0 | 115.8 | S369 | D367-S369 PolarHBondContact O-N 2.83Š|
| 368 | K | 83.1 | Confident | 83.1 | Confident | 120 Ų | 120 | 87.1 Ų | 87.1 | 52% | 0.522 | 43% | 0.434 | S | S | . | . | trans | -78.3 | 114.6 | -177.7 | -67.5 | 178.7 | -176.6 | 171.1 | 0 | 110.7 | C363 C366 Y370 | C363-K368 VanDerWaalsContact CB-O 3.26Å; C363-K368 WeakPolarHBondContact CB-O 3.28Å; C363-K368 PolarHBondContact N-O 3.39Å; C366-K368 PolarHBondContact O-N 3.49Å; K368-Y370 HydrophobicContact CB-CE2 3.76Å; K368-Y370 WeakPolarHBondContact O-CD2 3.42Å; K368-Y370 WeakPolarHBondContact O-CE2 3.48Å | ||
| 369 | S | 83.6 | Confident | 84 | Confident | 44 Ų | 44 | 83.9 Ų | 83.9 | 31% | 0.308 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 143.2 | 178.1 | 60.1 | 0 | 0 | 0 | 0 | 112.4 | K359 D367 | K359-S369 VanDerWaalsContact CD-OG 3.23Å; K359-S369 WeakPolarHBondContact CD-OG 3.38Å; D367-S369 PolarHBondContact O-N 2.83Å |
| 370 | Y | 81.8 | Confident | 84.6 | Confident | 54 Ų | 54 | 81.5 Ų | 81.5 | 21% | 0.212 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 145.7 | -174.7 | -64.7 | -89.9 | 0 | 0 | 0 | 112.2 | K359 Y361 K368 H372 L376 H379 | K359-Y370 CarbonylContact C-O 3.52Å; K359-Y370 VanDerWaalsContact C-O 3.26Å; K359-Y370 VanDerWaalsContact CA-O 3.28Å; K359-Y370 WeakPolarHBondContact CA-O 3.33Å; Y361-Y370 WeakPolarHBondContact CB-O 3.48Å; Y361-Y370 WeakPolarHBondContact CD2-O 3.24Å; Y361-Y370 PolarHBondContact N-O 2.92Å; Y361-Y370 PolarHBondContact O-N 3.23Å; K368-Y370 HydrophobicContact CB-CE2 3.76Å; K368-Y370 WeakPolarHBondContact O-CD2 3.42Å; K368-Y370 WeakPolarHBondContact O-CE2 3.48Å; Y370-H372 VanDerWaalsContact C-N 3.33Å; Y370-L376 HydrophobicContact CD2-CB 4.23Å; Y370-L376 HydrophobicContact CD2-CD1 3.79Å; Y370-L376 HydrophobicContact CE2-CD1 4.2Å; Y370-L376 HydrophobicContact CG-CB 4.39Å; Y370-H379 HydrophobicContact CE1-CB 4.24Å; Y370-H379 HydrophobicContact CE2-CB 4.01Å; Y370-H379 AromaticContact CE2-CD2 3.37Å; Y370-H379 WeakPolarHBondContact CE2-CD2 3.31Å; Y370-H379 AromaticContact CE2-CG 3.87Å; Y370-H379 AromaticContact CZ-CD2 3.63Å; Y370-H379 AromaticContact CZ-CG 3.65Å; Y370-H379 WeakPolarHBondContact OH-CB 3.42Å; Y370-H379 PolarHBondContact OH-CD2 3.27Å; Y370-H379 VanDerWaalsContact OH-CD2 3.27Å |
| 371 | T | 80.4 | Confident | 85.2 | Confident | 42 Ų | 42 | 84.8 Ų | 84.8 | 26% | 0.258 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -77.3 | -15.6 | 174.4 | 53.5 | 0 | 0 | 0 | 0 | 113.4 | K359 | K359-T371 HydrophobicContact CG-CG2 3.82Š|
| 372 | H | 80.7 | Confident | 85.4 | Confident | 39 Ų | 39 | 84.5 Ų | 84.5 | 18% | 0.181 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -138.5 | 139.6 | -177.5 | -75.9 | -79.1 | 0 | 0 | 0 | 112.4 | K350 H353 Y370 S374 S375 L376 | K350-H372 PolarHBondContact O-NE2 2.92Å; K350-H372 VanDerWaalsContact O-NE2 3.14Å; H353-H372 AromaticContact CD2-CE1 3.64Å; H353-H372 AromaticContact CD2-NE2 3.79Å; Y370-H372 VanDerWaalsContact C-N 3.33Å; H372-S374 VanDerWaalsContact C-N 3.25Å; H372-S374 PolarHBondContact O-N 3.34Å; H372-S375 WeakPolarHBondContact O-CB 3.38Å; H372-S375 PolarHBondContact O-N 2.91Å; H372-S375 VanDerWaalsContact O-N 3.08Å; H372-L376 PolarHBondContact O-N 3.41Å; H372-L376 VanDerWaalsContact O-N 3.15Å |
| 373 | P | 82.4 | Confident | 85.4 | Confident | 55 Ų | 55 | 81.5 Ų | 81.5 | 36% | 0.357 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -73.1 | -20 | -177.8 | 29.5 | -32 | 0 | 0 | 0 | 112.5 | Y361 R377 | Y361-P373 HydrophobicContact CD1-CB 3.77Å; Y361-P373 HydrophobicContact CD1-CG 4.47Å; Y361-P373 HydrophobicContact CE1-CB 3.79Å; Y361-P373 HydrophobicContact CE1-CG 4.07Å; Y361-P373 VanDerWaalsContact CE2-CD 3.49Å; Y361-P373 HydrophobicContact CE2-CG 4.31Å; Y361-P373 HydrophobicContact CG-CB 4.14Å; P373-R377 WeakPolarHBondContact O-CB 3.31Å; P373-R377 PolarHBondContact O-N 3.18Å |
| 374 | S | 85.6 | Confident | 84.9 | Confident | 64 Ų | 64 | 88.4 Ų | 88.4 | 45% | 0.448 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -69.2 | -35.6 | 169.8 | 49 | 0 | 0 | 0 | 0 | 112.2 | H372 K378 | H372-S374 VanDerWaalsContact C-N 3.25Å; H372-S374 PolarHBondContact O-N 3.34Å; S374-K378 WeakPolarHBondContact O-CG 3.41Å; S374-K378 PolarHBondContact O-N 3.1Å |
| 375 | S | 86.3 | Confident | 84.1 | Confident | 45 Ų | 45 | 83 Ų | 83 | 32% | 0.315 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -70.3 | -43.3 | 174.4 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | H372 R377 K378 H379 | H372-S375 WeakPolarHBondContact O-CB 3.38Å; H372-S375 PolarHBondContact O-N 2.91Å; H372-S375 VanDerWaalsContact O-N 3.08Å; S375-R377 PolarHBondContact O-N 3.03Å; S375-K378 WeakPolarHBondContact O-CB 3.48Å; S375-K378 PolarHBondContact O-N 2.88Å; S375-H379 PolarHBondContact O-N 3.45Å |
| 376 | L | 88.9 | Confident | 82.5 | Confident | 30 Ų | 30 | 81 Ų | 81 | 16% | 0.157 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -56 | -48.3 | 171 | -179.3 | 64.8 | 0 | 0 | 0 | 111.4 | L362 C363 Y370 H372 K378 H379 M380 | L362-L376 WeakPolarHBondContact O-CD2 3.46Å; C363-L376 HydrophobicContact CB-CD1 3.91Å; Y370-L376 HydrophobicContact CD2-CB 4.23Å; Y370-L376 HydrophobicContact CD2-CD1 3.79Å; Y370-L376 HydrophobicContact CE2-CD1 4.2Å; Y370-L376 HydrophobicContact CG-CB 4.39Å; H372-L376 PolarHBondContact O-N 3.41Å; H372-L376 VanDerWaalsContact O-N 3.15Å; L376-K378 VanDerWaalsContact C-N 3.33Å; L376-K378 PolarHBondContact O-N 3.48Å; L376-H379 WeakPolarHBondContact O-CB 3.28Å; L376-H379 PolarHBondContact O-N 3.14Å; L376-H379 VanDerWaalsContact O-N 3.1Å; L376-M380 HydrophobicContact CD1-CE 3.67Å; L376-M380 HydrophobicContact CG-CE 4.19Å; L376-M380 WeakPolarHBondContact O-CG 3.31Å; L376-M380 PolarHBondContact O-N 3Å |
| 377 | R | 87.9 | Confident | 80.6 | Confident | 176 Ų | 176 | 85.2 Ų | 85.2 | 66% | 0.664 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -63.1 | -34.9 | 178 | -170.5 | -179 | -62.4 | 129.4 | 4.1 | 113.2 | P373 S375 | P373-R377 WeakPolarHBondContact O-CB 3.31Å; P373-R377 PolarHBondContact O-N 3.18Å; S375-R377 PolarHBondContact O-N 3.03Å |
| 378 | K | 87.5 | Confident | 78.6 | Confident | 166 Ų | 166 | 82.5 Ų | 82.5 | 72% | 0.722 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64.9 | -41.8 | 171.6 | -77.7 | -178.3 | 173.8 | -169 | 0 | 111.4 | S374 S375 L376 K381 | S374-K378 WeakPolarHBondContact O-CG 3.41Å; S374-K378 PolarHBondContact O-N 3.1Å; S375-K378 WeakPolarHBondContact O-CB 3.48Å; S375-K378 PolarHBondContact O-N 2.88Å; L376-K378 VanDerWaalsContact C-N 3.33Å; L376-K378 PolarHBondContact O-N 3.48Å; K378-K381 PolarHBondContact O-N 2.99Å |
| 379 | H | 88.6 | Confident | 76.6 | Confident | 18 Ų | 18 | 82.1 Ų | 82.1 | 8% | 0.083 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -67.3 | -38.4 | 178 | 169.3 | 44 | 0 | 0 | 0 | 113 | C363 C366 Y370 S375 L376 K381 V382 H383 | C363-H379 PolarHBondContact SG-NE2 3.18Å; C366-H379 PolarHBondContact SG-NE2 3.4Å; Y370-H379 HydrophobicContact CE1-CB 4.24Å; Y370-H379 HydrophobicContact CE2-CB 4.01Å; Y370-H379 AromaticContact CE2-CD2 3.37Å; Y370-H379 WeakPolarHBondContact CE2-CD2 3.31Å; Y370-H379 AromaticContact CE2-CG 3.87Å; Y370-H379 AromaticContact CZ-CD2 3.63Å; Y370-H379 AromaticContact CZ-CG 3.65Å; Y370-H379 WeakPolarHBondContact OH-CB 3.42Å; Y370-H379 PolarHBondContact OH-CD2 3.27Å; Y370-H379 VanDerWaalsContact OH-CD2 3.27Å; S375-H379 PolarHBondContact O-N 3.45Å; L376-H379 WeakPolarHBondContact O-CB 3.28Å; L376-H379 PolarHBondContact O-N 3.14Å; L376-H379 VanDerWaalsContact O-N 3.1Å; H379-K381 PolarHBondContact O-N 3.32Å; H379-K381 VanDerWaalsContact O-N 3.17Å; H379-V382 VanDerWaalsContact O-CB 3.25Å; H379-V382 WeakPolarHBondContact O-CB 3.49Å; H379-V382 WeakPolarHBondContact O-CG2 3.48Å; H379-V382 PolarHBondContact O-N 3.38Å; H379-H383 AromaticContact CD2-NE2 3.7Å; H379-H383 AromaticContact CE1-CD2 3.48Å; H379-H383 PolarHBondContact CE1-CD2 3.03Å; H379-H383 VanDerWaalsContact CE1-CD2 3.48Å; H379-H383 AromaticContact CE1-NE2 2.68Å; H379-H383 PolarHBondContact CE1-NE2 3.41Å; H379-H383 AromaticContact ND1-NE2 3.89Å; H379-H383 AromaticContact NE2-CD2 3.62Å; H379-H383 AromaticContact NE2-NE2 2.47Å; H379-H383 PolarHBondContact NE2-NE2 2.69Å |
| 380 | M | 87.6 | Confident | 74.9 | Confident | 57 Ų | 57 | 84.2 Ų | 84.2 | 28% | 0.281 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -55.8 | -33.4 | 176.8 | -72.5 | -68.6 | 166.9 | 0 | 0 | 112.7 | C363 L376 V382 H383 E384 | C363-M380 HydrophobicContact CB-CE 4Å; C363-M380 WeakPolarHBondContact SG-CE 3.49Å; L376-M380 HydrophobicContact CD1-CE 3.67Å; L376-M380 HydrophobicContact CG-CE 4.19Å; L376-M380 WeakPolarHBondContact O-CG 3.31Å; L376-M380 PolarHBondContact O-N 3Å; M380-V382 PolarHBondContact O-N 2.96Å; M380-H383 PolarHBondContact O-N 2.87Å; M380-H383 VanDerWaalsContact O-N 3.15Å; M380-E384 PolarHBondContact O-N 2.73Å |
| 381 | K | 88.3 | Confident | 72.9 | Confident | 140 Ų | 140 | 89.3 Ų | 89.3 | 61% | 0.609 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.2 | -23.8 | 173.9 | -66.1 | -163 | 167.2 | -144 | 0 | 114.3 | K378 H379 E384 S385 | K378-K381 PolarHBondContact O-N 2.99Å; H379-K381 PolarHBondContact O-N 3.32Å; H379-K381 VanDerWaalsContact O-N 3.17Å; K381-E384 PolarHBondContact O-N 2.81Å; K381-S385 VanDerWaalsContact O-CB 3.31Å; K381-S385 WeakPolarHBondContact O-CB 3.21Å; K381-S385 PolarHBondContact O-N 3.17Å; K381-S385 PolarHBondContact O-OG 3.12Å; K381-S385 VanDerWaalsContact O-OG 3.13Å |
| 382 | V | 86.7 | Confident | 70.9 | Confident | 82 Ų | 82 | 93.4 Ų | 93.4 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.1 | -46.8 | 174.9 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | H379 M380 E384 S385 T386 | H379-V382 VanDerWaalsContact O-CB 3.25Å; H379-V382 WeakPolarHBondContact O-CB 3.49Å; H379-V382 WeakPolarHBondContact O-CG2 3.48Å; H379-V382 PolarHBondContact O-N 3.38Å; M380-V382 PolarHBondContact O-N 2.96Å; V382-E384 VanDerWaalsContact C-N 3.31Å; V382-E384 PolarHBondContact O-N 3.21Å; V382-S385 WeakPolarHBondContact CA-OG 3.43Å; V382-S385 PolarHBondContact O-N 2.95Å; V382-S385 PolarHBondContact O-OG 2.93Å; V382-T386 PolarHBondContact O-N 2.63Å; V382-T386 VanDerWaalsContact O-N 3.16Å; V382-T386 PolarHBondContact O-OG1 2.53Å |
| 383 | H | 84.9 | Confident | 69 | Low | 52 Ų | 52 | 97.3 Ų | 97.3 | 24% | 0.241 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -64.4 | -34.3 | 174.3 | -68.8 | -73.2 | 0 | 0 | 0 | 112.6 | C363 M365 C366 H379 M380 T386 | C363-H383 PolarHBondContact SG-NE2 2.97Å; M365-H383 HydrophobicContact CB-CB 4.45Å; M365-H383 HydrophobicContact CE-CB 4.06Å; M365-H383 HydrophobicContact CG-CB 4.34Å; M365-H383 PolarHBondContact O-CE1 3.48Å; C366-H383 VanDerWaalsContact CB-CE1 3.45Å; C366-H383 WeakPolarHBondContact CB-CE1 2.91Å; C366-H383 PolarHBondContact SG-CE1 3.28Å; C366-H383 PolarHBondContact SG-NE2 3.06Å; H379-H383 AromaticContact CD2-NE2 3.7Å; H379-H383 AromaticContact CE1-CD2 3.48Å; H379-H383 PolarHBondContact CE1-CD2 3.03Å; H379-H383 VanDerWaalsContact CE1-CD2 3.48Å; H379-H383 AromaticContact CE1-NE2 2.68Å; H379-H383 PolarHBondContact CE1-NE2 3.41Å; H379-H383 AromaticContact ND1-NE2 3.89Å; H379-H383 AromaticContact NE2-CD2 3.62Å; H379-H383 AromaticContact NE2-NE2 2.47Å; H379-H383 PolarHBondContact NE2-NE2 2.69Å; M380-H383 PolarHBondContact O-N 2.87Å; M380-H383 VanDerWaalsContact O-N 3.15Å; H383-T386 WeakPolarHBondContact CA-OG1 3.45Å; H383-T386 PolarHBondContact O-N 3.16Å; H383-T386 PolarHBondContact O-OG1 3.44Å |
| 384 | E | 77.6 | Confident | 68 | Low | 158 Ų | 158 | 100.7 Ų | 100.7 | 74% | 0.738 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -73.4 | -28 | 175.1 | -164.9 | 171 | -150.5 | 0 | 0 | 112.7 | M380 K381 V382 T386 | M380-E384 PolarHBondContact O-N 2.73Å; K381-E384 PolarHBondContact O-N 2.81Å; V382-E384 VanDerWaalsContact C-N 3.31Å; V382-E384 PolarHBondContact O-N 3.21Å; E384-T386 VanDerWaalsContact C-N 3.34Å |
| 385 | S | 68.4 | Low | 65.4 | Low | 89 Ų | 89 | 102.2 Ų | 102.2 | 62% | 0.622 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -80.8 | -11.6 | 173.2 | 65.6 | 0 | 0 | 0 | 0 | 114.3 | K381 V382 P387 | K381-S385 VanDerWaalsContact O-CB 3.31Å; K381-S385 WeakPolarHBondContact O-CB 3.21Å; K381-S385 PolarHBondContact O-N 3.17Å; K381-S385 PolarHBondContact O-OG 3.12Å; K381-S385 VanDerWaalsContact O-OG 3.13Å; V382-S385 WeakPolarHBondContact CA-OG 3.43Å; V382-S385 PolarHBondContact O-N 2.95Å; V382-S385 PolarHBondContact O-OG 2.93Å; S385-P387 WeakPolarHBondContact O-CD 3.23Å |
| 386 | T | 51.4 | Low | 62.7 | Low | 82 Ų | 82 | 104.6 Ų | 104.6 | 50% | 0.503 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -102.5 | 96.7 | 171.7 | 51.3 | 0 | 0 | 0 | 0 | 109.4 | V382 H383 E384 | V382-T386 PolarHBondContact O-N 2.63Å; V382-T386 VanDerWaalsContact O-N 3.16Å; V382-T386 PolarHBondContact O-OG1 2.53Å; H383-T386 WeakPolarHBondContact CA-OG1 3.45Å; H383-T386 PolarHBondContact O-N 3.16Å; H383-T386 PolarHBondContact O-OG1 3.44Å; E384-T386 VanDerWaalsContact C-N 3.34Å |
| 387 | P | 47.8 | Very low | 60.1 | Low | 118 Ų | 118 | 108.8 Ų | 108.8 | 77% | 0.766 | 66% | 0.657 | S | S | * | * | trans | -57 | 144.9 | 169.4 | 25.9 | -34 | 0 | 0 | 0 | 109.8 | S385 A389 | S385-P387 WeakPolarHBondContact O-CD 3.23Å; P387-A389 PolarHBondContact O-N 2.7Å | ||
| 388 | S | 41.3 | Very low | 57.6 | Low | 101 Ų | 101 | 106.3 Ų | 106.3 | 71% | 0.706 | 67% | 0.667 | S | S | * | * | trans | -66.5 | 102.1 | -166.1 | 52.6 | 0 | 0 | 0 | 0 | 113 | S390 | S388-S390 PolarHBondContact O-N 3.5Š| ||
| 389 | A | 40.6 | Very low | 54.9 | Low | 112 Ų | 112 | 102 Ų | 102 | 93% | 0.926 | 67% | 0.67 | S | S | * | * | trans | -74.4 | 63.7 | 159.8 | 0 | 0 | 0 | 0 | 0 | 110 | P387 | P387-A389 PolarHBondContact O-N 2.7Š| ||
| 390 | S | 47.7 | Very low | 52.2 | Low | 89 Ų | 89 | 112 Ų | 112 | 62% | 0.622 | 71% | 0.708 | S | S | * | * | trans | -116.4 | 70.2 | -178.9 | 62 | 0 | 0 | 0 | 0 | 110.5 | S388 | S388-S390 PolarHBondContact O-N 3.5Š| ||
| 391 | D | 40.5 | Very low | 49.6 | Very low | 161 Ų | 161 | 118.2 Ų | 118.2 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | trans | -153 | 88.9 | 164.8 | -118.9 | -25.6 | 0 | 0 | 0 | 111.8 | ||||
| 392 | S | 38 | Very low | 47 | Very low | 127 Ų | 127 | 117 Ų | 117 | 89% | 0.888 | 75% | 0.746 | S | S | * | * | trans | -172.1 | 105.2 | 156 | -81.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 393 | S | 40.9 | Very low | 44.3 | Very low | 122 Ų | 122 | 119.1 Ų | 119.1 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | trans | -85.4 | 172.2 | -178.2 | -119.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 394 | P | 60.9 | Low | 42 | Very low | 125 Ų | 125 | 123.3 Ų | 123.3 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | trans | -86.9 | 162 | -153.6 | 34.5 | -38.6 | 0 | 0 | 0 | 115.8 | ||||
| 395 | A | 31.2 | Very low | 40.8 | Very low | 97 Ų | 97 | 121.2 Ų | 121.2 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -146.1 | 138 | 164 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 396 | A | 30.7 | Very low | 39.5 | Very low | 94 Ų | 94 | 123.1 Ų | 123.1 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | trans | 40.2 | 124.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 397 | S | 33.7 | Very low | 38.4 | Very low | 119 Ų | 119 | 122.4 Ų | 122.4 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | cis | 85.8 | 65.5 | 27.9 | 91.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 398 | S | 34.4 | Very low | 37.6 | Very low | 124 Ų | 124 | 124.9 Ų | 124.9 | 87% | 0.867 | 82% | 0.819 | S | S | * | * | trans | -164.2 | 136.6 | 150.1 | 57.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 399 | G | 31.7 | Very low | 37.1 | Very low | 75 Ų | 75 | 127 Ų | 127 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | cis | 125.5 | 68 | -4.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 400 | Y | 32.8 | Very low | 36.7 | Very low | 228 Ų | 228 | 127.1 Ų | 127.1 | 89% | 0.894 | 82% | 0.821 | S | S | * | * | trans | -159.2 | 170.8 | 153 | 64.4 | -92.9 | 0 | 0 | 0 | 111.1 | ||||
| 401 | E | 31.9 | Very low | 36.6 | Very low | 187 Ų | 187 | 128.2 Ų | 128.2 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | trans | -99.4 | 175.2 | -161.8 | -63.5 | -177 | 87.8 | 0 | 0 | 115.7 | ||||
| 402 | S | 33.3 | Very low | 36 | Very low | 116 Ų | 116 | 127.2 Ų | 127.2 | 81% | 0.811 | 83% | 0.826 | S | S | * | * | trans | -55 | 145 | 171.9 | -56.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 403 | S | 31.5 | Very low | 35.5 | Very low | 125 Ų | 125 | 127 Ų | 127 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | trans | -163.3 | 153.1 | 132.1 | -84.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 404 | T | 36.1 | Very low | 34.8 | Very low | 141 Ų | 141 | 129.7 Ų | 129.7 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | trans | -92.6 | 173.6 | -175.6 | 17.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 405 | P | 52.7 | Low | 33.2 | Very low | 113 Ų | 113 | 128.2 Ų | 128.2 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | -106.2 | 175.1 | -145.1 | 42.1 | -40.1 | 0 | 0 | 0 | 116.1 | ||||
| 406 | P | 41.1 | Very low | 33.1 | Very low | 129 Ų | 129 | 132 Ų | 132 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | -123.2 | 170.4 | 120.6 | 37.1 | -30.8 | 0 | 0 | 0 | 111.1 | |||||
| 407 | G | 28.6 | Very low | 33 | Very low | 67 Ų | 67 | 131.8 Ų | 131.8 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | cis | 145.3 | 118.8 | -3.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 408 | L | 30.1 | Very low | 32.8 | Very low | 170 Ų | 170 | 133 Ų | 133 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | trans | 46.8 | 108.9 | 169.6 | -69.5 | 164.8 | 0 | 0 | 0 | 118.4 | ||||
| 409 | V | 31.7 | Very low | 32.5 | Very low | 145 Ų | 145 | 132.6 Ų | 132.6 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | -176.5 | 151.3 | 102.5 | -85.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 410 | S | 30.3 | Very low | 32.2 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -107.4 | 174 | 158.1 | -54.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 411 | P | 46.4 | Very low | 32.1 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | cis | -132.3 | -176.1 | 0.4 | 43.6 | -28.7 | 0 | 0 | 0 | 113.7 | ||||
| 412 | T | 27.2 | Very low | 31.9 | Very low | 141 Ų | 141 | 127.9 Ų | 127.9 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | -164.5 | 149.6 | 121 | 19.6 | 0 | 0 | 0 | 0 | 112 | |||||
| 413 | T | 28.6 | Very low | 32.7 | Very low | 122 Ų | 122 | 128.1 Ų | 128.1 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -89.2 | 149.4 | 165.4 | 45.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 414 | E | 26.9 | Very low | 32.5 | Very low | 178 Ų | 178 | 126.5 Ų | 126.5 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | 163.1 | 167.6 | 128.1 | -89.5 | -175.2 | 178.7 | 0 | 0 | 110.6 | |||||
| 415 | T | 26.6 | Very low | 32.2 | Very low | 94 Ų | 94 | 125.6 Ų | 125.6 | 58% | 0.577 | 77% | 0.774 | S | S | * | * | cis | -174.7 | 117.8 | -44.4 | -90.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 416 | Q | 28.6 | Very low | 31 | Very low | 178 Ų | 178 | 124.6 Ų | 124.6 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | 62.6 | 171.6 | 167.4 | -58.9 | 167 | 36 | 0 | 0 | 114.5 | ||||
| 417 | S | 28.9 | Very low | 30.5 | Very low | 89 Ų | 89 | 124 Ų | 124 | 62% | 0.622 | 77% | 0.77 | S | S | * | * | cis | -155.5 | 155.9 | 7.2 | -1.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 418 | N | 29.4 | Very low | 30.6 | Very low | 144 Ų | 144 | 129.1 Ų | 129.1 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | 65 | 127 | 144 | -59.4 | -9.5 | 0 | 0 | 0 | 120.9 | ||||
| 419 | T | 27.5 | Very low | 30.5 | Very low | 116 Ų | 116 | 126.8 Ų | 126.8 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | 63.3 | 132.5 | 85.6 | -12.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 420 | T | 27.3 | Very low | 30.2 | Very low | 116 Ų | 116 | 126.7 Ų | 126.7 | 71% | 0.712 | 76% | 0.764 | S | S | * | * | cis | -166.1 | 175 | 34.8 | -38 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 421 | L | 30.2 | Very low | 30.2 | Very low | 162 Ų | 162 | 126.6 Ų | 126.6 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | trans | 89.6 | 130.9 | 156.3 | -62.1 | 173.8 | 0 | 0 | 0 | 120.5 | ||||
| 422 | S | 27.8 | Very low | 29.3 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | -111.7 | -157.4 | 163.1 | -36.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 423 | P | 49.2 | Very low | 29.4 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | cis | -141 | -164.2 | 6.2 | 44.3 | -23.9 | 0 | 0 | 0 | 116 | ||||
| 424 | A | 27.6 | Very low | 29.4 | Very low | 92 Ų | 92 | 128.6 Ų | 128.6 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | trans | 75.1 | 153.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 425 | S | 29.4 | Very low | 29.4 | Very low | 121 Ų | 121 | 123.4 Ų | 123.4 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | cis | -171.9 | 153.9 | -23.8 | -94.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 426 | A | 28.8 | Very low | 29.5 | Very low | 93 Ų | 93 | 127.4 Ų | 127.4 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | cis | -131.9 | -105.7 | -9.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 427 | V | 30.3 | Very low | 29.5 | Very low | 117 Ų | 117 | 124.4 Ų | 124.4 | 71% | 0.709 | 77% | 0.774 | S | S | * | * | cis | -145.3 | 130.3 | -2.6 | 146.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 428 | H | 30.5 | Very low | 29.5 | Very low | 173 Ų | 173 | 125.6 Ų | 125.6 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | trans | 42.1 | 157.3 | 152.8 | -67.5 | -117 | 0 | 0 | 0 | 122.8 | ||||
| 429 | N | 26.8 | Very low | 29.5 | Very low | 121 Ų | 121 | 126.2 Ų | 126.2 | 65% | 0.647 | 79% | 0.786 | S | S | * | * | cis | -175.6 | 126.3 | -29.5 | 177.2 | 36.4 | 0 | 0 | 0 | 108.3 | ||||
| 430 | T | 26.3 | Very low | 29.6 | Very low | 144 Ų | 144 | 130 Ų | 130 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | -143.6 | 107.1 | 162.9 | 32.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 431 | T | 29.6 | Very low | 29.8 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 69% | 0.693 | 80% | 0.797 | S | S | * | * | trans | -70.4 | 137.4 | 173 | -51.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 432 | S | 27.4 | Very low | 30.1 | Very low | 104 Ų | 104 | 130.6 Ų | 130.6 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -67.2 | 130.1 | 174.8 | 54 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 433 | H | 29.3 | Very low | 30.3 | Very low | 187 Ų | 187 | 137.2 Ų | 137.2 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | trans | -129.3 | 124.5 | 151.3 | -105.5 | -86.7 | 0 | 0 | 0 | 110 | ||||
| 434 | S | 29.6 | Very low | 29.3 | Very low | 125 Ų | 125 | 141.3 Ų | 141.3 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -81.8 | 128.1 | -174.6 | 52.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 435 | G | 25.9 | Very low | 30 | Very low | 69 Ų | 69 | 146.5 Ų | 146.5 | 71% | 0.711 | 83% | 0.827 | S | S | * | * | trans | -152.6 | 76.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 436 | L | 29.9 | Very low | 30.1 | Very low | 179 Ų | 179 | 147.8 Ų | 147.8 | 94% | 0.937 | 83% | 0.826 | S | S | * | * | trans | 48.5 | 98.1 | 154.5 | -57.4 | 174.9 | 0 | 0 | 0 | 118.8 | ||||
| 437 | S | 28.1 | Very low | 30.1 | Very low | 115 Ų | 115 | 150.7 Ų | 150.7 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | -143.5 | 113.5 | 143.8 | -172.7 | 0 | 0 | 0 | 0 | 109.8 | N439 | S437-N439 PolarHBondContact O-N 3.49Š| ||
| 438 | S | 29.1 | Very low | 30.1 | Very low | 114 Ų | 114 | 152.6 Ų | 152.6 | 80% | 0.797 | 84% | 0.835 | S | S | * | * | trans | -87.6 | 104.4 | -173.4 | 56.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 439 | N | 29.7 | Very low | 30.1 | Very low | 157 Ų | 157 | 151.4 Ų | 151.4 | 84% | 0.84 | 84% | 0.837 | S | S | * | * | trans | -62.3 | 135.3 | 166.1 | -74.5 | -44.7 | 0 | 0 | 0 | 110.5 | S437 | S437-N439 PolarHBondContact O-N 3.49Š| ||
| 440 | F | 28.7 | Very low | 30.3 | Very low | 196 Ų | 196 | 153.3 Ų | 153.3 | 86% | 0.86 | 85% | 0.849 | S | S | * | * | trans | -143.3 | 100.9 | 170 | -149 | -86.5 | 0 | 0 | 0 | 110.2 | ||||
| 441 | S | 31.8 | Very low | 30.6 | Very low | 113 Ų | 113 | 153.9 Ų | 153.9 | 79% | 0.79 | 85% | 0.847 | S | S | * | * | trans | -160.3 | 140 | 174.8 | -77.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 442 | E | 36.7 | Very low | 30.6 | Very low | 176 Ų | 176 | 156.8 Ų | 156.8 | 82% | 0.822 | 86% | 0.858 | S | S | * | * | trans | 65.5 | 151.7 | -165 | -45.8 | -169.5 | 146.1 | 0 | 0 | 110.3 | ||||
| 443 | W | 31.1 | Very low | 30.9 | Very low | 252 Ų | 252 | 160.8 Ų | 160.8 | 96% | 0.955 | 87% | 0.868 | S | S | * | * | cis | -106.6 | 168.4 | 37.7 | -74.5 | 56.3 | 0 | 0 | 0 | 115.9 | ||||
| 444 | Y | 28.8 | Very low | 31 | Very low | 207 Ų | 207 | 158.7 Ų | 158.7 | 81% | 0.812 | 87% | 0.868 | S | S | * | * | trans | -117.9 | 110.7 | 174.1 | -149.9 | -75.7 | 0 | 0 | 0 | 108 | ||||
| 445 | V | 43.1 | Very low | 31.2 | Very low | 201 Ų | 201 | 161.7 Ų | 161.7 | 100% | 1.218 | 87% | 0.868 | S | S | * | * | trans | -143 | 0 | 158.7 | -175.9 | 0 | 0 | 0 | 0 | 106.6 |
Retrieved 445 of 445 residues in 642.7 ms
(Link to these results)