| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.1 | Very low | 42.2 | Very low | 231 Ų | 231 | 158.9 Ų | 158.9 | 100% | 1.138 | 81% | 0.807 | S | S | * | * | 0 | 103.4 | 0 | -57.9 | 178.2 | -173.6 | 0 | 0 | 104.8 | |||||
| 2 | N | 35.2 | Very low | 42 | Very low | 145 Ų | 145 | 159.1 Ų | 159.1 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | 64.5 | 99.3 | 99 | -66.9 | 7.1 | 0 | 0 | 0 | 110.5 | |||||
| 3 | L | 41.4 | Very low | 41.5 | Very low | 147 Ų | 147 | 159.9 Ų | 159.9 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | 76.2 | 101.2 | 94.8 | -97.8 | 64.4 | 0 | 0 | 0 | 110.5 | |||||
| 4 | L | 47.2 | Very low | 41.1 | Very low | 160 Ų | 160 | 162.6 Ų | 162.6 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | 83.2 | 112.8 | 77.3 | -103.2 | 81 | 0 | 0 | 0 | 112.9 | |||||
| 5 | D | 47.1 | Very low | 41 | Very low | 155 Ų | 155 | 163.5 Ų | 163.5 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | trans | -179.8 | 170.4 | 140.7 | -112.1 | -22.3 | 0 | 0 | 0 | 109.1 | ||||
| 6 | P | 57.2 | Low | 40.8 | Very low | 109 Ų | 109 | 164.6 Ų | 164.6 | 71% | 0.708 | 81% | 0.81 | S | S | * | * | cis | -133.9 | 168.9 | -19.7 | 35.9 | -18.3 | 0 | 0 | 0 | 115.5 | ||||
| 7 | Y | 36.3 | Very low | 40.2 | Very low | 206 Ų | 206 | 160.2 Ų | 160.2 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | trans | -17.4 | 125.9 | 151.7 | -163.3 | -92.1 | 0 | 0 | 0 | 120.1 | K9 | Y7-K9 HydrophobicContact CE1-CB 4.41Š| ||
| 8 | L | 47.1 | Very low | 39.9 | Very low | 168 Ų | 168 | 160.5 Ų | 160.5 | 88% | 0.88 | 80% | 0.796 | S | S | * | * | trans | -152.5 | 106.3 | 152.9 | -125 | 106.8 | 0 | 0 | 0 | 107.5 | ||||
| 9 | K | 38 | Very low | 39.7 | Very low | 147 Ų | 147 | 157.1 Ų | 157.1 | 64% | 0.639 | 79% | 0.789 | S | S | * | * | 68.2 | 95.1 | 72.9 | -165.6 | -176.9 | 179.7 | -179.4 | 0 | 114.6 | Y7 | Y7-K9 HydrophobicContact CE1-CB 4.41Š| |||
| 10 | M | 37.1 | Very low | 39.4 | Very low | 188 Ų | 188 | 156.9 Ų | 156.9 | 93% | 0.926 | 79% | 0.791 | S | S | * | * | trans | -135.8 | 138.4 | 148.3 | -76.3 | -67.9 | -77.1 | 0 | 0 | 107.1 | ||||
| 11 | T | 37.1 | Very low | 39.4 | Very low | 92 Ų | 92 | 153.7 Ų | 153.7 | 56% | 0.564 | 79% | 0.788 | S | S | * | * | trans | -128.9 | 152.3 | -179.3 | 49.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 12 | E | 40.1 | Very low | 39.9 | Very low | 161 Ų | 161 | 148.5 Ų | 148.5 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | 64.5 | 154.4 | 156.5 | -75.1 | 152.8 | 139.9 | 0 | 0 | 116.9 | ||||
| 13 | E | 36.2 | Very low | 40.3 | Very low | 170 Ų | 170 | 147.1 Ų | 147.1 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | cis | -161.8 | 141.7 | -13.3 | 46.3 | -168.3 | 101.5 | 0 | 0 | 110 | ||||
| 14 | Q | 35.8 | Very low | 40.7 | Very low | 197 Ų | 197 | 146.2 Ų | 146.2 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | trans | -159.6 | 124.7 | 141 | -141.6 | 169.9 | 17.4 | 0 | 0 | 110.6 | ||||
| 15 | E | 39.6 | Very low | 40.4 | Very low | 177 Ų | 177 | 143.2 Ų | 143.2 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | trans | -77.5 | 160.3 | 179.7 | -49.5 | -176.4 | 108.6 | 0 | 0 | 112.4 | ||||
| 16 | K | 36.8 | Very low | 40.2 | Very low | 181 Ų | 181 | 143.6 Ų | 143.6 | 79% | 0.787 | 77% | 0.768 | S | S | * | * | 175.1 | 108.1 | 98.1 | -166.4 | 149 | -169.9 | 157.8 | 0 | 115.4 | |||||
| 17 | C | 31.9 | Very low | 39.3 | Very low | 89 Ų | 89 | 143.5 Ų | 143.5 | 60% | 0.601 | 77% | 0.769 | S | S | * | * | trans | 64.7 | 124.9 | 143.8 | -69.5 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 18 | H | 34.8 | Very low | 39.6 | Very low | 166 Ų | 166 | 142.5 Ų | 142.5 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | 86.7 | 75.9 | 133.7 | -57.8 | -177.7 | 0 | 0 | 0 | 120.1 | ||||
| 19 | S | 36.1 | Very low | 39.1 | Very low | 96 Ų | 96 | 141 Ų | 141 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | 36 | 149.5 | 110.7 | 75.8 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 20 | D | 33.1 | Very low | 39.3 | Very low | 153 Ų | 153 | 138.6 Ų | 138.6 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | 82.9 | 122.8 | 153.6 | -56.6 | -53.4 | 0 | 0 | 0 | 121.3 | ||||
| 21 | A | 40.1 | Very low | 39.3 | Very low | 89 Ų | 89 | 134.4 Ų | 134.4 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | -93.3 | 170.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 22 | P | 50.6 | Low | 39.2 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | -150.3 | -178.3 | 90 | 39.1 | -21.1 | 0 | 0 | 0 | 115.3 | |||||
| 23 | S | 42.3 | Very low | 39.3 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -70.6 | 160.7 | 173.5 | -38.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 24 | P | 51.1 | Low | 40.2 | Very low | 128 Ų | 128 | 129.5 Ų | 129.5 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | trans | -106.2 | 156.7 | 157.2 | 36.7 | -29.6 | 0 | 0 | 0 | 113.6 | ||||
| 25 | S | 40.3 | Very low | 40.4 | Very low | 98 Ų | 98 | 125.9 Ų | 125.9 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | trans | -148.3 | -172.7 | 165.2 | -169.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 26 | M | 42.5 | Very low | 41.2 | Very low | 162 Ų | 162 | 123.6 Ų | 123.6 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | trans | 68.6 | 137.4 | -172.1 | -14.7 | -48.1 | 173.2 | 0 | 0 | 112.9 | ||||
| 27 | S | 39.6 | Very low | 41.6 | Very low | 107 Ų | 107 | 121.3 Ų | 121.3 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | cis | 82 | 137.2 | 20.1 | 87.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 28 | E | 40.5 | Very low | 41.8 | Very low | 185 Ų | 185 | 120.4 Ų | 120.4 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | cis | -119.2 | -146.1 | 3.7 | -65.8 | 176.2 | 106.6 | 0 | 0 | 110.3 | ||||
| 29 | D | 38.3 | Very low | 42 | Very low | 136 Ų | 136 | 119 Ų | 119 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | cis | -161.5 | 170.5 | 2.6 | 174.3 | -123 | 0 | 0 | 0 | 110.4 | ||||
| 30 | S | 41.6 | Very low | 42 | Very low | 97 Ų | 97 | 117.7 Ų | 117.7 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | trans | 68 | 137.4 | 158.5 | -84.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 31 | A | 37.9 | Very low | 42.4 | Very low | 100 Ų | 100 | 116.3 Ų | 116.3 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | cis | -162.4 | 166 | 6.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 32 | G | 33.6 | Very low | 42.3 | Very low | 78 Ų | 78 | 118.6 Ų | 118.6 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | 104.2 | 111.6 | 149.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 33 | S | 42.3 | Very low | 41.9 | Very low | 122 Ų | 122 | 118.6 Ų | 118.6 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -101 | -178.9 | 159.1 | -55.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 34 | P | 55.5 | Low | 41.5 | Very low | 121 Ų | 121 | 121.3 Ų | 121.3 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | cis | -139.1 | -169.4 | 6 | 44.1 | -24.8 | 0 | 0 | 0 | 116.1 | ||||
| 35 | C | 39 | Very low | 40.8 | Very low | 121 Ų | 121 | 121.8 Ų | 121.8 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -92 | 165.1 | 174.1 | -46 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 36 | P | 57.2 | Low | 40.6 | Very low | 129 Ų | 129 | 123.2 Ų | 123.2 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | -133.2 | 176.6 | 146.1 | 37.9 | -24.9 | 0 | 0 | 0 | 114.4 | ||||
| 37 | S | 44.9 | Very low | 40.2 | Very low | 132 Ų | 132 | 126.5 Ų | 126.5 | 92% | 0.923 | 80% | 0.8 | S | S | * | * | trans | -125.4 | 167.5 | -168.7 | -44.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 38 | G | 35.9 | Very low | 40.6 | Very low | 70 Ų | 70 | 126.9 Ų | 126.9 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | trans | 163.3 | 137.4 | 156.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 39 | S | 40.7 | Very low | 40.3 | Very low | 138 Ų | 138 | 123.6 Ų | 123.6 | 97% | 0.965 | 80% | 0.798 | S | S | * | * | trans | 60.1 | 153.2 | 156.4 | -56.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 40 | G | 35.8 | Very low | 40 | Very low | 67 Ų | 67 | 123.7 Ų | 123.7 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | cis | 158.3 | 140.7 | -12.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 41 | S | 40.2 | Very low | 39.9 | Very low | 124 Ų | 124 | 125.7 Ų | 125.7 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | 68.1 | 169 | 160.5 | -55.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 42 | D | 37.5 | Very low | 39.7 | Very low | 138 Ų | 138 | 130 Ų | 130 | 74% | 0.738 | 80% | 0.804 | S | S | * | * | -169.7 | 169 | -54.5 | -144 | -43.8 | 0 | 0 | 0 | 110.5 | |||||
| 43 | T | 43.6 | Very low | 40 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | 65.5 | 160.3 | 168.1 | 66.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 44 | E | 34.4 | Very low | 40 | Very low | 172 Ų | 172 | 134 Ų | 134 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | cis | -144.6 | -171.2 | 2.3 | -143.4 | -168.1 | 85.6 | 0 | 0 | 113.1 | ||||
| 45 | N | 34.9 | Very low | 38.8 | Very low | 138 Ų | 138 | 140.1 Ų | 140.1 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | trans | -93.8 | 161.1 | -169.2 | -73.6 | -82.5 | 0 | 0 | 0 | 114.9 | ||||
| 46 | T | 35.7 | Very low | 38.5 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | 179 | 117 | 111.1 | -74.9 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 47 | R | 35.9 | Very low | 38.5 | Very low | 230 Ų | 230 | 137.3 Ų | 137.3 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | trans | 29.3 | 136.2 | 143.9 | -152.2 | 169.9 | -172.2 | 155 | 3 | 122.6 | ||||
| 48 | P | 47.6 | Very low | 38 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | trans | -97.4 | 176.2 | 179.8 | 40.7 | -38.1 | 0 | 0 | 0 | 115.1 | ||||
| 49 | S | 33.9 | Very low | 38.2 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -142 | 119.4 | 164.6 | -64.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 50 | D | 31.7 | Very low | 38 | Very low | 138 Ų | 138 | 147.4 Ų | 147.4 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | 25 | 126.9 | 148.4 | -64.3 | -74.6 | 0 | 0 | 0 | 125.6 | ||||
| 51 | N | 40.3 | Very low | 38.5 | Very low | 139 Ų | 139 | 152.2 Ų | 152.2 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | 52 | 115.5 | 130.4 | -70.5 | -69 | 0 | 0 | 0 | 122.4 | ||||
| 52 | H | 32.9 | Very low | 38.5 | Very low | 189 Ų | 189 | 154.2 Ų | 154.2 | 88% | 0.875 | 79% | 0.786 | S | S | * | * | -143.4 | 157.6 | 124.2 | -156.8 | -90.2 | 0 | 0 | 0 | 112.4 | |||||
| 53 | L | 39.1 | Very low | 38.7 | Very low | 126 Ų | 126 | 150.8 Ų | 150.8 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | trans | -105.4 | 154.3 | -172.5 | -88 | 166.9 | 0 | 0 | 0 | 113.7 | ||||
| 54 | L | 42.9 | Very low | 38.9 | Very low | 158 Ų | 158 | 151.4 Ų | 151.4 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | trans | 60.6 | 133.9 | 158.6 | -60 | 163.3 | 0 | 0 | 0 | 116.3 | ||||
| 55 | R | 31.2 | Very low | 39.6 | Very low | 250 Ų | 250 | 149.1 Ų | 149.1 | 94% | 0.943 | 77% | 0.767 | S | S | * | * | cis | -179.4 | 151.6 | 46 | -170.8 | 174.4 | -173.3 | -178.4 | 1.6 | 110.1 | ||||
| 56 | G | 31.8 | Very low | 40.3 | Very low | 69 Ų | 69 | 151.5 Ų | 151.5 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | trans | 138.9 | 116.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 57 | P | 57.1 | Low | 41.4 | Very low | 123 Ų | 123 | 151.4 Ų | 151.4 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | trans | -100.5 | 132.6 | 174.7 | 35.2 | -27.3 | 0 | 0 | 0 | 111.8 | ||||
| 58 | D | 35 | Very low | 42.3 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | trans | -154.3 | 163.8 | 155 | -139.3 | -91.3 | 0 | 0 | 0 | 110.4 | K60 | D58-K60 PolarHBondContact O-N 3.15Š| ||
| 59 | Y | 40.5 | Very low | 43.4 | Very low | 209 Ų | 209 | 140.1 Ų | 140.1 | 82% | 0.82 | 72% | 0.716 | S | S | * | * | trans | -80.1 | 112.8 | -144.9 | -51.2 | -89 | 0 | 0 | 0 | 115.7 | K61 | Y59-K61 PolarHBondContact O-N 2.96Š| ||
| 60 | K | 36.4 | Very low | 45 | Very low | 203 Ų | 203 | 138.7 Ų | 138.7 | 88% | 0.883 | 70% | 0.702 | S | S | * | * | trans | -78.1 | 105.9 | 157.5 | -83.1 | -167.5 | 173.8 | -173.1 | 0 | 110.4 | D58 | D58-K60 PolarHBondContact O-N 3.15Š| ||
| 61 | K | 45.4 | Very low | 46.7 | Very low | 169 Ų | 169 | 135 Ų | 135 | 74% | 0.735 | 69% | 0.686 | S | S | * | * | trans | -105 | 30.2 | 168.5 | -158.9 | -147.1 | 167.4 | -157.1 | 0 | 112.2 | Y59 | Y59-K61 PolarHBondContact O-N 2.96Š| ||
| 62 | E | 40.4 | Very low | 48.1 | Very low | 166 Ų | 166 | 129.5 Ų | 129.5 | 78% | 0.776 | 66% | 0.657 | S | S | * | * | trans | -108.5 | 113.9 | -178.4 | -64 | -60.8 | 153.9 | 0 | 0 | 109.3 | ||||
| 63 | G | 41.7 | Very low | 50 | Low | 66 Ų | 66 | 124.8 Ų | 124.8 | 68% | 0.68 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 149.4 | -9.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 64 | E | 47.2 | Very low | 51.7 | Low | 136 Ų | 136 | 123.2 Ų | 123.2 | 64% | 0.636 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -95.6 | -8.8 | 173.5 | -76.1 | -109.7 | 104.9 | 0 | 0 | 113.3 | K67 | E64-K67 VanDerWaalsContact O-CB 3.24Å; E64-K67 WeakPolarHBondContact O-CB 3.3Å; E64-K67 PolarHBondContact O-N 2.67Å; E64-K67 WeakPolarHBondContact OE1-CD 3.35Å; E64-K67 WeakPolarHBondContact OE1-CE 3.3Å; E64-K67 IonicContact OE1-NZ 2.87Å; E64-K67 PolarHBondContact OE1-NZ 3.16Å |
| 65 | E | 49.4 | Very low | 52.8 | Low | 124 Ų | 124 | 116.5 Ų | 116.5 | 58% | 0.579 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -13.1 | -168.2 | -52.3 | -153 | 172.8 | 0 | 0 | 115.1 | K67 R73 | E65-K67 VanDerWaalsContact C-N 3.34Å; E65-R73 PolarHBondContact O-NH1 2.71Å; E65-R73 PolarHBondContact O-NH2 2.75Å |
| 66 | E | 50.6 | Low | 54.5 | Low | 187 Ų | 187 | 104.8 Ų | 104.8 | 87% | 0.874 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -9.6 | 168.9 | -70.8 | -159.3 | 119.5 | 0 | 0 | 113.4 | F68 | E66-F68 PolarHBondContact O-N 3.37Š|
| 67 | K | 57.5 | Low | 56.5 | Low | 126 Ų | 126 | 103.6 Ų | 103.6 | 55% | 0.548 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -71.8 | 1.5 | -162.9 | -150.5 | 158.4 | -175.1 | 166.9 | 0 | 115.2 | E64 E65 | E64-K67 VanDerWaalsContact O-CB 3.24Å; E64-K67 WeakPolarHBondContact O-CB 3.3Å; E64-K67 PolarHBondContact O-N 2.67Å; E64-K67 WeakPolarHBondContact OE1-CD 3.35Å; E64-K67 WeakPolarHBondContact OE1-CE 3.3Å; E64-K67 IonicContact OE1-NZ 2.87Å; E64-K67 PolarHBondContact OE1-NZ 3.16Å; E65-K67 VanDerWaalsContact C-N 3.34Å |
| 68 | F | 55.3 | Low | 56.9 | Low | 30 Ų | 30 | 104 Ų | 104 | 13% | 0.132 | 52% | 0.519 | C | S | . | . | S | Bend | trans | -137.1 | 126.1 | 176.1 | -63.8 | -73.1 | 0 | 0 | 0 | 111.4 | E66 V70 R73 K140 | E66-F68 PolarHBondContact O-N 3.37Å; F68-V70 PolarHBondContact O-N 3.14Å; F68-R73 HydrophobicContact CB-CG 4.41Å; F68-K140 HydrophobicContact CE1-CD 3.85Å; F68-K140 HydrophobicContact CE2-CD 4.16Å; F68-K140 HydrophobicContact CZ-CB 4.39Å; F68-K140 HydrophobicContact CZ-CD 3.28Å; F68-K140 HydrophobicContact CZ-CG 4.48Å |
| 69 | P | 70.3 | Confident | 58.4 | Low | 78 Ų | 78 | 97.6 Ų | 97.6 | 51% | 0.506 | 49% | 0.485 | S | S | . | . | trans | -48.2 | 136.1 | 172.1 | -30.4 | 35.7 | 0 | 0 | 0 | 112.5 | C71 I72 R73 | P69-C71 VanDerWaalsContact C-N 3.26Å; P69-C71 PolarHBondContact O-N 3.04Å; P69-I72 HydrophobicContact CB-CD1 4.41Å; P69-I72 HydrophobicContact CB-CG1 4.39Å; P69-I72 HydrophobicContact CG-CD1 4.3Å; P69-I72 WeakPolarHBondContact O-CB 3.46Å; P69-I72 PolarHBondContact O-N 2.88Å; P69-R73 PolarHBondContact O-N 3.5Å | ||
| 70 | V | 69.2 | Low | 59.7 | Low | 87 Ų | 87 | 89.6 Ų | 89.6 | 53% | 0.527 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -53.6 | -43.9 | -174.9 | 177.1 | 0 | 0 | 0 | 0 | 111.5 | F68 I72 R73 D74 | F68-V70 PolarHBondContact O-N 3.14Å; V70-I72 PolarHBondContact O-N 2.85Å; V70-I72 VanDerWaalsContact O-N 3.11Å; V70-R73 WeakPolarHBondContact O-CA 3.39Å; V70-R73 WeakPolarHBondContact O-CB 3.49Å; V70-R73 PolarHBondContact O-N 2.68Å; V70-D74 WeakPolarHBondContact CG1-OD2 3.16Å; V70-D74 PolarHBondContact O-N 3.2Å |
| 71 | C | 65.9 | Low | 61 | Low | 62 Ų | 62 | 89 Ų | 89 | 42% | 0.419 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -53 | -32.1 | 175.4 | 52.3 | 0 | 0 | 0 | 0 | 114.9 | P69 A75 Y126 | P69-C71 VanDerWaalsContact C-N 3.26Å; P69-C71 PolarHBondContact O-N 3.04Å; C71-A75 WeakPolarHBondContact O-CB 3.18Å; C71-A75 PolarHBondContact O-N 2.71Å; C71-Y126 PolarHBondContact SG-OH 3.15Å |
| 72 | I | 71.4 | Confident | 61.6 | Low | 23 Ų | 23 | 83.8 Ų | 83.8 | 12% | 0.118 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -75.7 | -38.5 | 176.9 | -62.6 | -178.4 | 0 | 0 | 0 | 110.7 | P69 V70 V76 L122 Y126 T137 L141 | P69-I72 HydrophobicContact CB-CD1 4.41Å; P69-I72 HydrophobicContact CB-CG1 4.39Å; P69-I72 HydrophobicContact CG-CD1 4.3Å; P69-I72 WeakPolarHBondContact O-CB 3.46Å; P69-I72 PolarHBondContact O-N 2.88Å; V70-I72 PolarHBondContact O-N 2.85Å; V70-I72 VanDerWaalsContact O-N 3.11Å; I72-V76 PolarHBondContact O-N 3.49Å; I72-L122 HydrophobicContact CG2-CD2 4.27Å; I72-Y126 HydrophobicContact CG1-CE2 4.36Å; I72-T137 HydrophobicContact CG2-CG2 3.64Å; I72-L141 HydrophobicContact CG2-CD1 3.8Å |
| 73 | R | 72.6 | Confident | 62.8 | Low | 90 Ų | 90 | 77.1 Ų | 77.1 | 34% | 0.34 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.4 | -41.2 | 174.4 | -69.2 | -169.7 | -78.9 | -160.2 | -11.3 | 111.3 | E65 F68 P69 V70 V76 S77 L141 | E65-R73 PolarHBondContact O-NH1 2.71Å; E65-R73 PolarHBondContact O-NH2 2.75Å; F68-R73 HydrophobicContact CB-CG 4.41Å; P69-R73 PolarHBondContact O-N 3.5Å; V70-R73 WeakPolarHBondContact O-CA 3.39Å; V70-R73 WeakPolarHBondContact O-CB 3.49Å; V70-R73 PolarHBondContact O-N 2.68Å; R73-V76 PolarHBondContact O-N 3.21Å; R73-S77 WeakPolarHBondContact O-CB 3.48Å; R73-S77 PolarHBondContact O-N 3.01Å; R73-S77 PolarHBondContact O-OG 3.1Å; R73-L141 HydrophobicContact CG-CD2 4.38Å |
| 74 | D | 73.9 | Confident | 63.6 | Low | 93 Ų | 93 | 77.7 Ų | 77.7 | 50% | 0.497 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68.7 | -45 | 178.6 | -72 | -13.4 | 0 | 0 | 0 | 111.7 | V70 V76 S77 Q78 | V70-D74 WeakPolarHBondContact CG1-OD2 3.16Å; V70-D74 PolarHBondContact O-N 3.2Å; D74-V76 PolarHBondContact O-N 3.25Å; D74-S77 CarbonylContact O-C 3.35Å; D74-S77 PolarHBondContact O-N 3.17Å; D74-Q78 VanDerWaalsContact O-CB 3.29Å; D74-Q78 WeakPolarHBondContact O-CB 3.4Å; D74-Q78 PolarHBondContact O-N 3.14Å |
| 75 | A | 65.9 | Low | 64.3 | Low | 16 Ų | 16 | 75.9 Ų | 75.9 | 13% | 0.132 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -57.9 | -37.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | C71 V79 L122 | C71-A75 WeakPolarHBondContact O-CB 3.18Å; C71-A75 PolarHBondContact O-N 2.71Å; A75-V79 WeakPolarHBondContact O-CG2 3.42Å; A75-V79 PolarHBondContact O-N 2.73Å; A75-L122 HydrophobicContact CB-CD2 3.91Å |
| 76 | V | 68.2 | Low | 64.7 | Low | 4 Ų | 4 | 75.2 Ų | 75.2 | 2% | 0.024 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -78.2 | -38 | 175.7 | 167.6 | 0 | 0 | 0 | 0 | 112.5 | I72 R73 D74 Q78 V79 L80 W114 A118 L122 L138 L141 | I72-V76 PolarHBondContact O-N 3.49Å; R73-V76 PolarHBondContact O-N 3.21Å; D74-V76 PolarHBondContact O-N 3.25Å; V76-Q78 PolarHBondContact O-N 2.87Å; V76-V79 WeakPolarHBondContact O-CB 3.29Å; V76-V79 PolarHBondContact O-N 3.21Å; V76-V79 VanDerWaalsContact O-N 3.13Å; V76-L80 PolarHBondContact O-N 2.99Å; V76-L80 VanDerWaalsContact O-N 3.12Å; V76-W114 HydrophobicContact CG1-CZ2 3.68Å; V76-A118 HydrophobicContact CG2-CB 4.22Å; V76-L122 HydrophobicContact CG2-CD1 4.36Å; V76-L138 HydrophobicContact CG2-CD2 4.43Å; V76-L141 HydrophobicContact CB-CD1 4.32Å; V76-L141 HydrophobicContact CG2-CD1 3.71Å |
| 77 | S | 71.8 | Confident | 65.1 | Low | 44 Ų | 44 | 70.3 Ų | 70.3 | 31% | 0.308 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.3 | -34.2 | 171.5 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | R73 D74 L80 K81 | R73-S77 WeakPolarHBondContact O-CB 3.48Å; R73-S77 PolarHBondContact O-N 3.01Å; R73-S77 PolarHBondContact O-OG 3.1Å; D74-S77 CarbonylContact O-C 3.35Å; D74-S77 PolarHBondContact O-N 3.17Å; S77-L80 PolarHBondContact O-N 3.44Å; S77-K81 WeakPolarHBondContact O-CB 3.47Å; S77-K81 VanDerWaalsContact O-CG 3.32Å; S77-K81 WeakPolarHBondContact O-CG 3.22Å; S77-K81 PolarHBondContact O-N 3.36Å |
| 78 | Q | 67.3 | Low | 65.2 | Low | 132 Ų | 132 | 64.6 Ų | 64.6 | 62% | 0.617 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -76.5 | -23.5 | 176.4 | -163.1 | 175.9 | 52 | 0 | 0 | 112.8 | D74 V76 G82 | D74-Q78 VanDerWaalsContact O-CB 3.29Å; D74-Q78 WeakPolarHBondContact O-CB 3.4Å; D74-Q78 PolarHBondContact O-N 3.14Å; V76-Q78 PolarHBondContact O-N 2.87Å; Q78-G82 PolarHBondContact O-N 3.37Å |
| 79 | V | 66.6 | Low | 65.3 | Low | 5 Ų | 5 | 66.2 Ų | 66.2 | 3% | 0.03 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.3 | -52.4 | 163.6 | 175.7 | 0 | 0 | 0 | 0 | 109 | A75 V76 K81 G82 Y83 A117 A118 K121 | A75-V79 WeakPolarHBondContact O-CG2 3.42Å; A75-V79 PolarHBondContact O-N 2.73Å; V76-V79 WeakPolarHBondContact O-CB 3.29Å; V76-V79 PolarHBondContact O-N 3.21Å; V76-V79 VanDerWaalsContact O-N 3.13Å; V79-K81 PolarHBondContact O-N 3.11Å; V79-G82 CarbonylContact O-C 3.6Å; V79-G82 PolarHBondContact O-N 2.96Å; V79-Y83 HydrophobicContact CG1-CD2 4.46Å; V79-Y83 WeakPolarHBondContact O-CB 3.23Å; V79-Y83 PolarHBondContact O-N 3.18Å; V79-A117 HydrophobicContact CG1-CB 3.67Å; V79-A118 HydrophobicContact CG1-CB 4.45Å; V79-A118 HydrophobicContact CG2-CB 4.13Å; V79-K121 HydrophobicContact CG2-CB 3.97Å; V79-K121 HydrophobicContact CG2-CG 3.7Å |
| 80 | L | 66.7 | Low | 64.6 | Low | 40 Ų | 40 | 67 Ų | 67 | 21% | 0.209 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.9 | -43.2 | -177.3 | -63.6 | 172.5 | 0 | 0 | 0 | 112.9 | V76 S77 G82 L145 F153 | V76-L80 PolarHBondContact O-N 2.99Å; V76-L80 VanDerWaalsContact O-N 3.12Å; S77-L80 PolarHBondContact O-N 3.44Å; L80-G82 VanDerWaalsContact C-N 3.26Å; L80-G82 PolarHBondContact O-N 2.82Å; L80-L145 HydrophobicContact CD1-CD1 4.13Å; L80-L145 HydrophobicContact CD1-CD2 3.7Å; L80-L145 HydrophobicContact CD2-CD1 4.18Å; L80-F153 HydrophobicContact CD2-CE2 3.51Å; L80-F153 HydrophobicContact CD2-CZ 3.82Å |
| 81 | K | 63.4 | Low | 64 | Low | 191 Ų | 191 | 67.3 Ų | 67.3 | 83% | 0.83 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -10.8 | -178.9 | -71.1 | 173.9 | -179.6 | 179.4 | 0 | 114.9 | S77 V79 | S77-K81 WeakPolarHBondContact O-CB 3.47Å; S77-K81 VanDerWaalsContact O-CG 3.32Å; S77-K81 WeakPolarHBondContact O-CG 3.22Å; S77-K81 PolarHBondContact O-N 3.36Å; V79-K81 PolarHBondContact O-N 3.11Å |
| 82 | G | 58.6 | Low | 63.2 | Low | 60 Ų | 60 | 70.1 Ų | 70.1 | 62% | 0.619 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.9 | 31.3 | -171 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q78 V79 L80 D84 | Q78-G82 PolarHBondContact O-N 3.37Å; V79-G82 CarbonylContact O-C 3.6Å; V79-G82 PolarHBondContact O-N 2.96Å; L80-G82 VanDerWaalsContact C-N 3.26Å; L80-G82 PolarHBondContact O-N 2.82Å; G82-D84 PolarHBondContact O-N 2.93Å |
| 83 | Y | 64.9 | Low | 62.1 | Low | 26 Ų | 26 | 78.7 Ų | 78.7 | 10% | 0.102 | 41% | 0.411 | C | S | . | . | trans | -80.7 | 101.6 | 179.9 | -163.2 | -130.3 | 0 | 0 | 0 | 112.1 | V79 W85 L87 V88 A117 F153 | V79-Y83 HydrophobicContact CG1-CD2 4.46Å; V79-Y83 WeakPolarHBondContact O-CB 3.23Å; V79-Y83 PolarHBondContact O-N 3.18Å; Y83-W85 AromaticContact CD1-CD2 3.8Å; Y83-W85 HydrophobicContact CD1-CD2 3.8Å; Y83-W85 AromaticContact CD1-CE2 3.92Å; Y83-W85 AromaticContact CD1-CE3 3.77Å; Y83-W85 HydrophobicContact CD1-CE3 3.77Å; Y83-W85 HydrophobicContact CD1-CG 4.44Å; Y83-W85 AromaticContact CD1-CH2 3.98Å; Y83-W85 HydrophobicContact CD1-CH2 3.98Å; Y83-W85 AromaticContact CD1-CZ2 3.99Å; Y83-W85 HydrophobicContact CD1-CZ2 3.99Å; Y83-W85 AromaticContact CD1-CZ3 3.87Å; Y83-W85 HydrophobicContact CD1-CZ3 3.87Å; Y83-W85 HydrophobicContact CE1-CD2 4.15Å; Y83-W85 AromaticContact CE1-CE3 3.73Å; Y83-W85 HydrophobicContact CE1-CE3 3.73Å; Y83-W85 HydrophobicContact CE1-CH2 4.46Å; Y83-W85 AromaticContact CE1-CZ3 3.92Å; Y83-W85 HydrophobicContact CE1-CZ3 3.92Å; Y83-W85 PolarHBondContact O-N 3Å; Y83-W85 PolarHBondContact O-NE1 2.65Å; Y83-L87 HydrophobicContact CE2-CB 4.45Å; Y83-L87 PolarHBondContact OH-O 2.99Å; Y83-V88 HydrophobicContact CE1-CG2 3.59Å; Y83-V88 WeakPolarHBondContact OH-CA 3.43Å; Y83-V88 WeakPolarHBondContact OH-CG2 3.47Å; Y83-V88 PolarHBondContact OH-N 3.32Å; Y83-A117 HydrophobicContact CD2-CB 3.67Å; Y83-A117 HydrophobicContact CE1-CB 4.42Å; Y83-A117 HydrophobicContact CE2-CB 3.21Å; Y83-A117 HydrophobicContact CG-CB 4.49Å; Y83-F153 AromaticContact CD1-CE1 3.81Å; Y83-F153 HydrophobicContact CD1-CE1 3.81Å; Y83-F153 HydrophobicContact CD1-CZ 4.42Å; Y83-F153 HydrophobicContact CE1-CE1 4.14Å | ||
| 84 | D | 60.1 | Low | 60.8 | Low | 77 Ų | 77 | 81.1 Ų | 81.1 | 41% | 0.412 | 44% | 0.435 | S | S | . | . | trans | -69.4 | 111 | 162.6 | 179.5 | -5.6 | 0 | 0 | 0 | 109.6 | G82 T86 L87 | G82-D84 PolarHBondContact O-N 2.93Å; D84-T86 PolarHBondContact O-N 3.2Å; D84-T86 VanDerWaalsContact OD1-CB 3.3Å; D84-T86 WeakPolarHBondContact OD1-CB 3.34Å; D84-T86 WeakPolarHBondContact OD1-CG2 3.47Å; D84-T86 PolarHBondContact OD1-N 2.91Å; D84-T86 PolarHBondContact OD1-OG1 3.25Å; D84-T86 PolarHBondContact OD2-OG1 3.07Å; D84-L87 HydrophobicContact CB-CD1 4.02Å; D84-L87 HydrophobicContact CB-CG 4.01Å; D84-L87 VanDerWaalsContact O-CB 3.29Å; D84-L87 WeakPolarHBondContact O-CB 3.07Å; D84-L87 PolarHBondContact O-N 2.97Å | ||
| 85 | W | 60.9 | Low | 59.3 | Low | 98 Ų | 98 | 83.6 Ų | 83.6 | 37% | 0.371 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -66.1 | -19.1 | -179 | -61.4 | 91.5 | 0 | 0 | 0 | 113.4 | Y83 L87 V88 V113 P152 F153 E156 | Y83-W85 AromaticContact CD1-CD2 3.8Å; Y83-W85 HydrophobicContact CD1-CD2 3.8Å; Y83-W85 AromaticContact CD1-CE2 3.92Å; Y83-W85 AromaticContact CD1-CE3 3.77Å; Y83-W85 HydrophobicContact CD1-CE3 3.77Å; Y83-W85 HydrophobicContact CD1-CG 4.44Å; Y83-W85 AromaticContact CD1-CH2 3.98Å; Y83-W85 HydrophobicContact CD1-CH2 3.98Å; Y83-W85 AromaticContact CD1-CZ2 3.99Å; Y83-W85 HydrophobicContact CD1-CZ2 3.99Å; Y83-W85 AromaticContact CD1-CZ3 3.87Å; Y83-W85 HydrophobicContact CD1-CZ3 3.87Å; Y83-W85 HydrophobicContact CE1-CD2 4.15Å; Y83-W85 AromaticContact CE1-CE3 3.73Å; Y83-W85 HydrophobicContact CE1-CE3 3.73Å; Y83-W85 HydrophobicContact CE1-CH2 4.46Å; Y83-W85 AromaticContact CE1-CZ3 3.92Å; Y83-W85 HydrophobicContact CE1-CZ3 3.92Å; Y83-W85 PolarHBondContact O-N 3Å; Y83-W85 PolarHBondContact O-NE1 2.65Å; W85-L87 PolarHBondContact O-N 3.28Å; W85-V88 HydrophobicContact CE3-CG2 4.2Å; W85-V88 WeakPolarHBondContact O-CB 3.32Å; W85-V88 PolarHBondContact O-N 3.34Å; W85-V88 VanDerWaalsContact O-N 3.07Å; W85-V113 HydrophobicContact CZ3-CG1 4.44Å; W85-P152 HydrophobicContact CH2-CB 3.79Å; W85-P152 HydrophobicContact CH2-CG 4.3Å; W85-P152 HydrophobicContact CZ2-CB 3.72Å; W85-P152 HydrophobicContact CZ2-CG 4.24Å; W85-F153 AromaticContact CH2-CD1 3.47Å; W85-F153 HydrophobicContact CH2-CD1 3.47Å; W85-F153 VanDerWaalsContact CH2-CD1 3.47Å; W85-F153 HydrophobicContact CH2-CD2 4.41Å; W85-F153 AromaticContact CH2-CE1 3.41Å; W85-F153 HydrophobicContact CH2-CE1 3.41Å; W85-F153 VanDerWaalsContact CH2-CE1 3.41Å; W85-F153 HydrophobicContact CH2-CE2 4.34Å; W85-F153 AromaticContact CH2-CG 3.99Å; W85-F153 HydrophobicContact CH2-CG 3.99Å; W85-F153 AromaticContact CH2-CZ 3.86Å; W85-F153 HydrophobicContact CH2-CZ 3.86Å; W85-F153 HydrophobicContact CZ2-CE1 4.23Å; W85-F153 HydrophobicContact CZ2-CZ 4.34Å; W85-F153 AromaticContact CZ3-CD1 3.72Å; W85-F153 HydrophobicContact CZ3-CD1 3.72Å; W85-F153 AromaticContact CZ3-CE1 3.86Å; W85-F153 HydrophobicContact CZ3-CE1 3.86Å; W85-F153 HydrophobicContact CZ3-CG 4.48Å; W85-E156 HydrophobicContact CE3-CB 4.17Å; W85-E156 HydrophobicContact CE3-CG 4.04Å; W85-E156 HydrophobicContact CZ3-CB 3.83Å; W85-E156 HydrophobicContact CZ3-CG 4.03Å |
| 86 | T | 57.1 | Low | 58.4 | Low | 111 Ų | 111 | 85.7 Ų | 85.7 | 68% | 0.681 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -65.2 | -20.6 | 170 | 73.8 | 0 | 0 | 0 | 0 | 112 | D84 V88 | D84-T86 PolarHBondContact O-N 3.2Å; D84-T86 VanDerWaalsContact OD1-CB 3.3Å; D84-T86 WeakPolarHBondContact OD1-CB 3.34Å; D84-T86 WeakPolarHBondContact OD1-CG2 3.47Å; D84-T86 PolarHBondContact OD1-N 2.91Å; D84-T86 PolarHBondContact OD1-OG1 3.25Å; D84-T86 PolarHBondContact OD2-OG1 3.07Å; T86-V88 VanDerWaalsContact C-N 3.3Å |
| 87 | L | 59 | Low | 57.3 | Low | 83 Ų | 83 | 91.5 Ų | 91.5 | 44% | 0.435 | 51% | 0.513 | S | S | . | . | G | 310 helix | trans | -88.2 | 10 | 174.7 | -50.3 | 179.8 | 0 | 0 | 0 | 113.5 | Y83 D84 W85 P89 R120 | Y83-L87 HydrophobicContact CE2-CB 4.45Å; Y83-L87 PolarHBondContact OH-O 2.99Å; D84-L87 HydrophobicContact CB-CD1 4.02Å; D84-L87 HydrophobicContact CB-CG 4.01Å; D84-L87 VanDerWaalsContact O-CB 3.29Å; D84-L87 WeakPolarHBondContact O-CB 3.07Å; D84-L87 PolarHBondContact O-N 2.97Å; W85-L87 PolarHBondContact O-N 3.28Å; L87-P89 VanDerWaalsContact O-CD 3.31Å; L87-P89 WeakPolarHBondContact O-CD 3.3Å; L87-R120 PolarHBondContact O-NH2 3.16Å |
| 88 | V | 60.2 | Low | 56.2 | Low | 7 Ų | 7 | 93.3 Ų | 93.3 | 4% | 0.042 | 53% | 0.526 | C | S | . | . | S | Bend | trans | -77.4 | 104.8 | 148.1 | -176.8 | 0 | 0 | 0 | 0 | 105.7 | Y83 W85 T86 M90 M108 V113 | Y83-V88 HydrophobicContact CE1-CG2 3.59Å; Y83-V88 WeakPolarHBondContact OH-CA 3.43Å; Y83-V88 WeakPolarHBondContact OH-CG2 3.47Å; Y83-V88 PolarHBondContact OH-N 3.32Å; W85-V88 HydrophobicContact CE3-CG2 4.2Å; W85-V88 WeakPolarHBondContact O-CB 3.32Å; W85-V88 PolarHBondContact O-N 3.34Å; W85-V88 VanDerWaalsContact O-N 3.07Å; T86-V88 VanDerWaalsContact C-N 3.3Å; V88-M90 PolarHBondContact O-N 3Å; V88-M108 HydrophobicContact CG1-CE 3.87Å; V88-V113 HydrophobicContact CG1-CG1 4.49Å; V88-V113 HydrophobicContact CG2-CG1 3.93Å |
| 89 | P | 58.5 | Low | 55.6 | Low | 64 Ų | 64 | 98.1 Ų | 98.1 | 42% | 0.416 | 54% | 0.544 | S | S | . | . | trans | -69.2 | 107.2 | 173.8 | -9.3 | 27.9 | 0 | 0 | 0 | 106.6 | L87 Q116 | L87-P89 VanDerWaalsContact O-CD 3.31Å; L87-P89 WeakPolarHBondContact O-CD 3.3Å; P89-Q116 VanDerWaalsContact CD-NE2 3.27Å | ||
| 90 | M | 54.5 | Low | 55.1 | Low | 95 Ų | 95 | 101.6 Ų | 101.6 | 47% | 0.468 | 57% | 0.569 | S | S | . | * | trans | -47.6 | 143.6 | 162.4 | -82.3 | -166.6 | 164.7 | 0 | 0 | 108.4 | V88 V92 | V88-M90 PolarHBondContact O-N 3Å; M90-V92 HydrophobicContact CB-CG2 4.05Å; M90-V92 PolarHBondContact O-N 2.88Å | ||
| 91 | P | 56.4 | Low | 55.1 | Low | 92 Ų | 92 | 108.8 Ų | 108.8 | 60% | 0.597 | 60% | 0.599 | S | S | * | * | trans | -65.9 | 38.3 | 177.7 | -25.4 | 36.8 | 0 | 0 | 0 | 116.3 | R93 | P91-R93 PolarHBondContact O-N 3.21Š| ||
| 92 | V | 50.1 | Low | 56 | Low | 121 Ų | 121 | 105.2 Ų | 105.2 | 73% | 0.733 | 60% | 0.595 | S | S | * | * | trans | -52 | 130.3 | 166.2 | -174.8 | 0 | 0 | 0 | 0 | 108.4 | M90 V94 | M90-V92 HydrophobicContact CB-CG2 4.05Å; M90-V92 PolarHBondContact O-N 2.88Å; V92-V94 PolarHBondContact O-N 3.45Å | ||
| 93 | R | 48.4 | Very low | 57.4 | Low | 203 Ų | 203 | 109.9 Ų | 109.9 | 77% | 0.766 | 60% | 0.6 | S | S | * | * | trans | -74.5 | 86.5 | -162.1 | -67.2 | 174 | -74.2 | -145.4 | -4.1 | 111.9 | P91 N95 | P91-R93 PolarHBondContact O-N 3.21Å; R93-N95 PolarHBondContact O-N 3.01Å | ||
| 94 | V | 44.2 | Very low | 58.6 | Low | 141 Ų | 141 | 110.8 Ų | 110.8 | 86% | 0.855 | 61% | 0.608 | S | S | * | * | trans | -59.8 | 105 | 155.8 | -70.8 | 0 | 0 | 0 | 0 | 107.8 | V92 G96 | V92-V94 PolarHBondContact O-N 3.45Å; V94-G96 VanDerWaalsContact C-N 3.26Å; V94-G96 PolarHBondContact O-N 3.2Å | ||
| 95 | N | 42.3 | Very low | 60.2 | Low | 146 Ų | 146 | 114.9 Ų | 114.9 | 78% | 0.781 | 62% | 0.622 | S | S | * | * | trans | -82.3 | 67.5 | -159.5 | -166.5 | 87.3 | 0 | 0 | 0 | 112.2 | R93 S97 | R93-N95 PolarHBondContact O-N 3.01Å; N95-S97 PolarHBondContact O-N 3.02Å | ||
| 96 | G | 47.4 | Very low | 61.9 | Low | 60 Ų | 60 | 117.1 Ų | 117.1 | 62% | 0.619 | 63% | 0.631 | S | S | * | * | trans | -58.9 | 115 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V94 S98 | V94-G96 VanDerWaalsContact C-N 3.26Å; V94-G96 PolarHBondContact O-N 3.2Å; G96-S98 PolarHBondContact O-N 3.37Å; G96-S98 PolarHBondContact O-OG 3.29Å | ||
| 97 | S | 45.7 | Very low | 63.7 | Low | 125 Ų | 125 | 113.8 Ų | 113.8 | 87% | 0.874 | 61% | 0.611 | S | S | * | * | trans | -60.4 | 95.9 | -168.9 | 55.9 | 0 | 0 | 0 | 0 | 113.7 | N95 | N95-S97 PolarHBondContact O-N 3.02Š| ||
| 98 | S | 47.4 | Very low | 65.5 | Low | 83 Ų | 83 | 111.8 Ų | 111.8 | 58% | 0.58 | 60% | 0.6 | S | S | * | * | trans | -135.8 | 126.8 | 170.5 | 50.4 | 0 | 0 | 0 | 0 | 109.3 | G96 S100 | G96-S98 PolarHBondContact O-N 3.37Å; G96-S98 PolarHBondContact O-OG 3.29Å; S98-S100 PolarHBondContact O-N 3.19Å | ||
| 99 | K | 54.5 | Low | 67.2 | Low | 233 Ų | 233 | 116 Ų | 116 | 100% | 1.013 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -75.4 | 21.9 | -175.2 | -63.5 | -172.8 | 178 | -177.9 | 0 | 113.7 | ||
| 100 | S | 57.4 | Low | 69 | Low | 78 Ų | 78 | 113.7 Ų | 113.7 | 55% | 0.545 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -96.7 | 149.1 | 174.8 | 47.7 | 0 | 0 | 0 | 0 | 110.7 | S98 | S98-S100 PolarHBondContact O-N 3.19Š|
| 101 | K | 66.1 | Low | 71 | Confident | 191 Ų | 191 | 111.5 Ų | 111.5 | 83% | 0.83 | 60% | 0.597 | S | S | * | * | trans | -47.1 | 136.6 | 171.4 | -62.5 | 178.2 | 179.2 | -177.7 | 0 | 110.3 | H103 | K101-H103 PolarHBondContact O-N 2.88Š| ||
| 102 | P | 82.5 | Confident | 72.9 | Confident | 116 Ų | 116 | 111.4 Ų | 111.4 | 75% | 0.753 | 59% | 0.589 | S | S | * | * | trans | -61.1 | 110 | -171.7 | 23.7 | -33.9 | 0 | 0 | 0 | 110.9 | V104 | P102-V104 PolarHBondContact O-N 2.71Š| ||
| 103 | H | 86.9 | Confident | 75 | Confident | 157 Ų | 157 | 105.7 Ų | 105.7 | 73% | 0.727 | 56% | 0.555 | S | S | * | * | trans | -76.4 | 112.4 | -178.7 | 175.6 | 54.1 | 0 | 0 | 0 | 110.6 | K101 K105 | K101-H103 PolarHBondContact O-N 2.88Å; H103-K105 PolarHBondContact O-N 3.45Å; H103-K105 VanDerWaalsContact O-N 3.15Å | ||
| 104 | V | 91.3 | Very high | 77.1 | Confident | 46 Ų | 46 | 96 Ų | 96 | 28% | 0.279 | 52% | 0.518 | S | S | . | . | trans | -63.2 | 111.4 | 172 | 178.6 | 0 | 0 | 0 | 0 | 109.6 | P102 H164 H168 Y171 | P102-V104 PolarHBondContact O-N 2.71Å; V104-H164 WeakPolarHBondContact CG1-CE1 3.31Å; V104-H168 WeakPolarHBondContact CG1-CD2 3.38Å; V104-Y171 HydrophobicContact CB-CD2 3.92Å; V104-Y171 HydrophobicContact CB-CE2 3.85Å; V104-Y171 HydrophobicContact CG1-CD2 3.43Å; V104-Y171 VanDerWaalsContact CG1-CD2 3.43Å; V104-Y171 HydrophobicContact CG1-CE2 3.52Å; V104-Y171 HydrophobicContact CG1-CG 4.41Å; V104-Y171 WeakPolarHBondContact O-CE2 3.46Å | ||
| 105 | K | 93.4 | Very high | 79.5 | Confident | 162 Ų | 162 | 89.3 Ų | 89.3 | 70% | 0.704 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -71.5 | 149.4 | 172.7 | -64.8 | -178.6 | -178.5 | 176.6 | 0 | 109.7 | H103 H164 | H103-K105 PolarHBondContact O-N 3.45Å; H103-K105 VanDerWaalsContact O-N 3.15Å; K105-H164 PolarHBondContact O-CE1 3.46Å |
| 106 | R | 95.8 | Very high | 81.9 | Confident | 145 Ų | 145 | 85.2 Ų | 85.2 | 55% | 0.547 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 152.6 | 172.7 | -55.9 | 179.8 | -149.3 | -157.1 | 6.3 | 111.1 | Y171 Y173 | R106-Y171 WeakPolarHBondContact CG-OH 3.44Å; R106-Y173 VanDerWaalsContact CZ-CZ 3.47Å; R106-Y173 VanDerWaalsContact NH1-CZ 3.3Å; R106-Y173 PolarHBondContact NH1-OH 3.39Å; R106-Y173 VanDerWaalsContact NH2-CZ 3.34Å; R106-Y173 PolarHBondContact NH2-OH 3.48Å |
| 107 | P | 95.5 | Very high | 83.8 | Confident | 41 Ų | 41 | 82.5 Ų | 82.5 | 27% | 0.266 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 155.4 | 162.8 | 28.7 | -33.7 | 0 | 0 | 0 | 110.4 | H164 | P107-H164 HydrophobicContact CB-CB 4Å; P107-H164 HydrophobicContact CG-CB 4.14Å |
| 108 | M | 96.1 | Very high | 85.9 | Confident | 42 Ų | 42 | 76.5 Ų | 76.5 | 21% | 0.207 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -81.3 | 135.9 | 177.2 | -63.4 | -168.2 | -70.1 | 0 | 0 | 110.1 | V88 M112 V113 Q116 A157 L160 | V88-M108 HydrophobicContact CG1-CE 3.87Å; M108-M112 HydrophobicContact CB-CB 4.02Å; M108-M112 HydrophobicContact CG-CB 4.41Å; M108-V113 HydrophobicContact CB-CG2 3.76Å; M108-V113 HydrophobicContact CE-CG2 4.44Å; M108-Q116 PolarHBondContact SD-OE1 2.95Å; M108-A157 WeakPolarHBondContact O-CB 3.4Å; M108-L160 HydrophobicContact CB-CD1 4.41Å; M108-L160 HydrophobicContact CE-CD1 4.27Å |
| 109 | N | 97.3 | Very high | 88.1 | Confident | 94 Ų | 94 | 75.1 Ų | 75.1 | 50% | 0.503 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -82.8 | 169 | 169.7 | 71.1 | 4.8 | 0 | 0 | 0 | 110.8 | F111 M112 V113 | N109-F111 VanDerWaalsContact C-N 3.3Å; N109-F111 PolarHBondContact O-N 3.36Å; N109-M112 WeakPolarHBondContact O-CA 3.46Å; N109-M112 PolarHBondContact O-N 2.92Å; N109-M112 WeakPolarHBondContact OD1-CB 3.39Å; N109-M112 WeakPolarHBondContact OD1-CG 3.45Å; N109-M112 PolarHBondContact OD1-N 3.5Å; N109-V113 PolarHBondContact O-N 3.17Å |
| 110 | A | 95.6 | Very high | 89.8 | Confident | 16 Ų | 16 | 68.6 Ų | 68.6 | 13% | 0.132 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -50.9 | -46.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | M112 V113 W114 W142 F153 V154 A157 | A110-M112 PolarHBondContact O-N 2.86Å; A110-V113 PolarHBondContact O-N 2.96Å; A110-W114 WeakPolarHBondContact O-CB 3.3Å; A110-W114 PolarHBondContact O-N 3.42Å; A110-W142 HydrophobicContact CB-CH2 3.89Å; A110-W142 HydrophobicContact CB-CZ2 3.9Å; A110-F153 WeakPolarHBondContact CA-O 3.47Å; A110-F153 HydrophobicContact CB-CB 4.32Å; A110-F153 WeakPolarHBondContact CB-O 3.43Å; A110-V154 HydrophobicContact CB-CB 4.39Å; A110-V154 HydrophobicContact CB-CG2 3.79Å; A110-A157 HydrophobicContact CB-CB 4.16Å |
| 111 | F | 95.9 | Very high | 91.2 | Very high | 49 Ų | 49 | 69.6 Ų | 69.6 | 22% | 0.215 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.3 | -42 | 175 | 172.9 | -102.5 | 0 | 0 | 0 | 112.7 | N109 W114 A115 W142 | N109-F111 VanDerWaalsContact C-N 3.3Å; N109-F111 PolarHBondContact O-N 3.36Å; F111-W114 HydrophobicContact CD2-CE3 4.02Å; F111-W114 HydrophobicContact CD2-CZ3 4.08Å; F111-W114 HydrophobicContact CE2-CE3 4.14Å; F111-W114 AromaticContact CE2-CZ3 3.77Å; F111-W114 HydrophobicContact CE2-CZ3 3.77Å; F111-A115 HydrophobicContact CE1-CB 4.29Å; F111-A115 HydrophobicContact CE2-CB 4.27Å; F111-A115 HydrophobicContact CZ-CB 4.12Å; F111-A115 WeakPolarHBondContact O-CA 3.31Å; F111-A115 WeakPolarHBondContact O-CB 3.45Å; F111-A115 PolarHBondContact O-N 3.42Å; F111-W142 HydrophobicContact CB-CD2 4.4Å; F111-W142 HydrophobicContact CD2-CB 3.73Å; F111-W142 AromaticContact CD2-CD1 3.83Å; F111-W142 AromaticContact CD2-CD2 3.96Å; F111-W142 HydrophobicContact CD2-CD2 3.96Å; F111-W142 AromaticContact CD2-CG 3.54Å; F111-W142 HydrophobicContact CD2-CG 3.54Å; F111-W142 HydrophobicContact CE2-CB 3.91Å; F111-W142 HydrophobicContact CE2-CG 4.23Å |
| 112 | M | 96.6 | Very high | 92.2 | Very high | 91 Ų | 91 | 60.7 Ų | 60.7 | 45% | 0.448 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -70.5 | -37.8 | -179.9 | -71.4 | -68.1 | -179.2 | 0 | 0 | 112.6 | M108 N109 A110 Q116 | M108-M112 HydrophobicContact CB-CB 4.02Å; M108-M112 HydrophobicContact CG-CB 4.41Å; N109-M112 WeakPolarHBondContact O-CA 3.46Å; N109-M112 PolarHBondContact O-N 2.92Å; N109-M112 WeakPolarHBondContact OD1-CB 3.39Å; N109-M112 WeakPolarHBondContact OD1-CG 3.45Å; N109-M112 PolarHBondContact OD1-N 3.5Å; A110-M112 PolarHBondContact O-N 2.86Å; M112-Q116 WeakPolarHBondContact O-CB 3.13Å; M112-Q116 PolarHBondContact O-N 2.92Å |
| 113 | V | 93.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.3 | -56 | 174 | 179.9 | 0 | 0 | 0 | 0 | 109.7 | W85 V88 M108 N109 A110 A115 Q116 F153 E156 A157 L160 | W85-V113 HydrophobicContact CZ3-CG1 4.44Å; V88-V113 HydrophobicContact CG1-CG1 4.49Å; V88-V113 HydrophobicContact CG2-CG1 3.93Å; M108-V113 HydrophobicContact CB-CG2 3.76Å; M108-V113 HydrophobicContact CE-CG2 4.44Å; N109-V113 PolarHBondContact O-N 3.17Å; A110-V113 PolarHBondContact O-N 2.96Å; V113-A115 PolarHBondContact O-N 3.33Å; V113-Q116 PolarHBondContact O-N 3.27Å; V113-F153 HydrophobicContact CG1-CD1 4.16Å; V113-E156 HydrophobicContact CG1-CG 3.92Å; V113-A157 HydrophobicContact CG2-CB 4.25Å; V113-L160 HydrophobicContact CG2-CD1 3.82Å |
| 114 | W | 94 | Very high | 92.6 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59 | -47.8 | 177.2 | 169.7 | 85.4 | 0 | 0 | 0 | 112.7 | V76 A110 F111 Q116 A117 A118 L138 L141 W142 L145 F153 | V76-W114 HydrophobicContact CG1-CZ2 3.68Å; A110-W114 WeakPolarHBondContact O-CB 3.3Å; A110-W114 PolarHBondContact O-N 3.42Å; F111-W114 HydrophobicContact CD2-CE3 4.02Å; F111-W114 HydrophobicContact CD2-CZ3 4.08Å; F111-W114 HydrophobicContact CE2-CE3 4.14Å; F111-W114 AromaticContact CE2-CZ3 3.77Å; F111-W114 HydrophobicContact CE2-CZ3 3.77Å; W114-Q116 PolarHBondContact O-N 3.26Å; W114-A117 PolarHBondContact O-N 2.88Å; W114-A118 HydrophobicContact CZ2-CB 4.22Å; W114-A118 PolarHBondContact O-N 3.36Å; W114-L138 HydrophobicContact CH2-CB 4.03Å; W114-L138 HydrophobicContact CH2-CD2 3.6Å; W114-L138 HydrophobicContact CH2-CG 4.45Å; W114-L138 VanDerWaalsContact CH2-O 3.27Å; W114-L138 WeakPolarHBondContact CH2-O 3.49Å; W114-L138 HydrophobicContact CZ2-CD2 4.27Å; W114-L138 HydrophobicContact CZ3-CB 3.85Å; W114-L138 HydrophobicContact CZ3-CD2 3.92Å; W114-L138 HydrophobicContact CZ3-CG 4.48Å; W114-L138 WeakPolarHBondContact CZ3-O 3.26Å; W114-L141 HydrophobicContact CH2-CB 4.04Å; W114-L141 HydrophobicContact CZ2-CB 4.32Å; W114-W142 HydrophobicContact CB-CE3 3.98Å; W114-W142 HydrophobicContact CB-CH2 4.47Å; W114-W142 HydrophobicContact CB-CZ3 3.57Å; W114-W142 AromaticContact CD2-CE3 3.51Å; W114-W142 HydrophobicContact CD2-CE3 3.51Å; W114-W142 HydrophobicContact CD2-CZ3 4Å; W114-W142 HydrophobicContact CE3-CB 4.18Å; W114-W142 HydrophobicContact CE3-CD2 4.28Å; W114-W142 AromaticContact CE3-CE3 3.62Å; W114-W142 HydrophobicContact CE3-CE3 3.62Å; W114-W142 HydrophobicContact CE3-CZ3 4.41Å; W114-W142 AromaticContact CG-CE3 3.66Å; W114-W142 HydrophobicContact CG-CE3 3.66Å; W114-W142 AromaticContact CG-CZ3 3.61Å; W114-W142 HydrophobicContact CG-CZ3 3.61Å; W114-W142 HydrophobicContact CH2-CB 4.03Å; W114-W142 HydrophobicContact CZ3-CB 3.73Å; W114-W142 HydrophobicContact CZ3-CE3 4.32Å; W114-L145 HydrophobicContact CZ2-CD1 4.17Å; W114-F153 HydrophobicContact CB-CB 4.31Å; W114-F153 HydrophobicContact CB-CD1 3.64Å; W114-F153 HydrophobicContact CB-CD2 4.26Å; W114-F153 HydrophobicContact CB-CE1 4.01Å; W114-F153 HydrophobicContact CB-CG 3.79Å; W114-F153 HydrophobicContact CB-CZ 4.49Å; W114-F153 AromaticContact CD1-CE2 3.79Å; W114-F153 AromaticContact CD1-CZ 3.75Å; W114-F153 HydrophobicContact CG-CD1 4.47Å; W114-F153 HydrophobicContact CG-CE1 4.47Å |
| 115 | A | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.8 | -20.6 | -177 | 0 | 0 | 0 | 0 | 0 | 112.4 | F111 V113 R119 L138 | F111-A115 HydrophobicContact CE1-CB 4.29Å; F111-A115 HydrophobicContact CE2-CB 4.27Å; F111-A115 HydrophobicContact CZ-CB 4.12Å; F111-A115 WeakPolarHBondContact O-CA 3.31Å; F111-A115 WeakPolarHBondContact O-CB 3.45Å; F111-A115 PolarHBondContact O-N 3.42Å; V113-A115 PolarHBondContact O-N 3.33Å; A115-R119 WeakPolarHBondContact O-CB 3.2Å; A115-R119 PolarHBondContact O-N 2.87Å; A115-R119 PolarHBondContact O-NH1 2.95Å; A115-L138 HydrophobicContact CB-CD1 4.36Å |
| 116 | Q | 91.8 | Very high | 92.1 | Very high | 61 Ų | 61 | 53.7 Ų | 53.7 | 29% | 0.285 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.7 | -45.8 | 172.4 | -176.5 | 167.8 | 8.9 | 0 | 0 | 111 | P89 M108 M112 V113 W114 R120 | P89-Q116 VanDerWaalsContact CD-NE2 3.27Å; M108-Q116 PolarHBondContact SD-OE1 2.95Å; M112-Q116 WeakPolarHBondContact O-CB 3.13Å; M112-Q116 PolarHBondContact O-N 2.92Å; V113-Q116 PolarHBondContact O-N 3.27Å; W114-Q116 PolarHBondContact O-N 3.26Å; Q116-R120 PolarHBondContact O-N 3.49Å |
| 117 | A | 87.8 | Confident | 91.8 | Very high | 2 Ų | 2 | 52 Ų | 52 | 2% | 0.017 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.7 | -50.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V79 Y83 W114 R120 K121 | V79-A117 HydrophobicContact CG1-CB 3.67Å; Y83-A117 HydrophobicContact CD2-CB 3.67Å; Y83-A117 HydrophobicContact CE1-CB 4.42Å; Y83-A117 HydrophobicContact CE2-CB 3.21Å; Y83-A117 HydrophobicContact CG-CB 4.49Å; W114-A117 PolarHBondContact O-N 2.88Å; A117-R120 PolarHBondContact O-N 2.92Å; A117-K121 PolarHBondContact O-N 2.99Å |
| 118 | A | 89.8 | Confident | 91.5 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.1 | -33.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V76 V79 W114 L122 L138 | V76-A118 HydrophobicContact CG2-CB 4.22Å; V79-A118 HydrophobicContact CG1-CB 4.45Å; V79-A118 HydrophobicContact CG2-CB 4.13Å; W114-A118 HydrophobicContact CZ2-CB 4.22Å; W114-A118 PolarHBondContact O-N 3.36Å; A118-L122 WeakPolarHBondContact O-CG 3.32Å; A118-L122 PolarHBondContact O-N 3.38Å; A118-L138 HydrophobicContact CB-CD2 3.41Å; A118-L138 VanDerWaalsContact CB-CD2 3.41Å |
| 119 | R | 93.2 | Very high | 91.3 | Very high | 53 Ų | 53 | 58.2 Ų | 58.2 | 20% | 0.2 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.5 | -38.6 | 172.4 | -175.5 | -178.3 | -72.8 | 103.4 | -8.6 | 112.4 | A115 A123 N131 L134 S135 L138 | A115-R119 WeakPolarHBondContact O-CB 3.2Å; A115-R119 PolarHBondContact O-N 2.87Å; A115-R119 PolarHBondContact O-NH1 2.95Å; R119-A123 VanDerWaalsContact O-CB 3.24Å; R119-A123 WeakPolarHBondContact O-CB 3.47Å; R119-A123 PolarHBondContact O-N 2.68Å; R119-N131 WeakPolarHBondContact CD-OD1 3.33Å; R119-L134 HydrophobicContact CG-CD1 4.22Å; R119-S135 PolarHBondContact NE-OG 2.65Å; R119-S135 PolarHBondContact NH2-OG 2.97Å; R119-L138 HydrophobicContact CB-CD1 3.62Å; R119-L138 HydrophobicContact CG-CD1 4.29Å |
| 120 | R | 90.4 | Very high | 91 | Very high | 96 Ų | 96 | 60.3 Ų | 60.3 | 36% | 0.362 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.8 | -57.7 | 175.5 | -178.4 | 168.6 | 59.1 | -146.3 | -5.4 | 109.8 | L87 Q116 A117 L122 A123 D124 | L87-R120 PolarHBondContact O-NH2 3.16Å; Q116-R120 PolarHBondContact O-N 3.49Å; A117-R120 PolarHBondContact O-N 2.92Å; R120-L122 VanDerWaalsContact C-N 3.3Å; R120-L122 PolarHBondContact O-N 2.85Å; R120-A123 PolarHBondContact O-N 3.24Å; R120-D124 PolarHBondContact O-N 3.27Å; R120-D124 VanDerWaalsContact O-OD2 3.11Å |
| 121 | K | 87.4 | Confident | 90.8 | Very high | 100 Ų | 100 | 63.5 Ų | 63.5 | 44% | 0.435 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -54.3 | -40.4 | 178.2 | -72.9 | -67.8 | -168 | 172.6 | 0 | 113.8 | V79 A117 Q125 | V79-K121 HydrophobicContact CG2-CB 3.97Å; V79-K121 HydrophobicContact CG2-CG 3.7Å; A117-K121 PolarHBondContact O-N 2.99Å; K121-Q125 WeakPolarHBondContact O-CG 3.49Å; K121-Q125 PolarHBondContact O-N 2.88Å |
| 122 | L | 87.4 | Confident | 90.8 | Very high | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.016 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -74.4 | -32 | 176.3 | -68 | 175.1 | 0 | 0 | 0 | 113.3 | I72 A75 V76 A118 R120 Q125 Y126 L134 L138 | I72-L122 HydrophobicContact CG2-CD2 4.27Å; A75-L122 HydrophobicContact CB-CD2 3.91Å; V76-L122 HydrophobicContact CG2-CD1 4.36Å; A118-L122 WeakPolarHBondContact O-CG 3.32Å; A118-L122 PolarHBondContact O-N 3.38Å; R120-L122 VanDerWaalsContact C-N 3.3Å; R120-L122 PolarHBondContact O-N 2.85Å; L122-Q125 PolarHBondContact O-N 3.42Å; L122-Y126 HydrophobicContact CD2-CE2 4.45Å; L122-Y126 WeakPolarHBondContact O-CB 3.49Å; L122-Y126 WeakPolarHBondContact O-CD2 3.37Å; L122-Y126 PolarHBondContact O-N 3.43Å; L122-L134 HydrophobicContact CB-CD2 3.73Å; L122-L134 HydrophobicContact CD1-CD2 4.47Å; L122-L138 HydrophobicContact CD1-CD2 3.89Å; L122-L138 HydrophobicContact CD1-CG 4.21Å |
| 123 | A | 89.6 | Confident | 90.6 | Very high | 32 Ų | 32 | 62.5 Ų | 62.5 | 26% | 0.264 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -71.2 | -34.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R119 R120 Q125 Y126 P127 L134 | R119-A123 VanDerWaalsContact O-CB 3.24Å; R119-A123 WeakPolarHBondContact O-CB 3.47Å; R119-A123 PolarHBondContact O-N 2.68Å; R120-A123 PolarHBondContact O-N 3.24Å; A123-Q125 VanDerWaalsContact C-N 3.28Å; A123-Q125 PolarHBondContact O-N 3.24Å; A123-Y126 CarbonylContact O-C 3.52Å; A123-Y126 PolarHBondContact O-N 2.99Å; A123-P127 WeakPolarHBondContact O-CA 3.29Å; A123-P127 VanDerWaalsContact O-N 3.13Å; A123-L134 HydrophobicContact CB-CD1 4.02Å |
| 124 | D | 88.2 | Confident | 90.5 | Very high | 103 Ų | 103 | 62.7 Ų | 62.7 | 55% | 0.551 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -62.4 | -36.5 | 174.5 | -54.2 | -31.7 | 0 | 0 | 0 | 111.2 | R120 | R120-D124 PolarHBondContact O-N 3.27Å; R120-D124 VanDerWaalsContact O-OD2 3.11Å |
| 125 | Q | 86.8 | Confident | 90.5 | Very high | 136 Ų | 136 | 64.6 Ų | 64.6 | 64% | 0.636 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -83.8 | -33.1 | 177.2 | -64.7 | -64.2 | -59.5 | 0 | 0 | 113.5 | K121 L122 A123 P127 | K121-Q125 WeakPolarHBondContact O-CG 3.49Å; K121-Q125 PolarHBondContact O-N 2.88Å; L122-Q125 PolarHBondContact O-N 3.42Å; A123-Q125 VanDerWaalsContact C-N 3.28Å; A123-Q125 PolarHBondContact O-N 3.24Å; Q125-P127 VanDerWaalsContact C-CD 3.45Å; Q125-P127 WeakPolarHBondContact O-CD 3.32Å |
| 126 | Y | 86.9 | Confident | 90.5 | Very high | 63 Ų | 63 | 70.1 Ų | 70.1 | 25% | 0.247 | 35% | 0.35 | C | S | . | . | trans | -126.4 | 65.3 | -175.9 | -57.7 | -75.3 | 0 | 0 | 0 | 111.4 | C71 I72 L122 A123 H128 L129 | C71-Y126 PolarHBondContact SG-OH 3.15Å; I72-Y126 HydrophobicContact CG1-CE2 4.36Å; L122-Y126 HydrophobicContact CD2-CE2 4.45Å; L122-Y126 WeakPolarHBondContact O-CB 3.49Å; L122-Y126 WeakPolarHBondContact O-CD2 3.37Å; L122-Y126 PolarHBondContact O-N 3.43Å; A123-Y126 CarbonylContact O-C 3.52Å; A123-Y126 PolarHBondContact O-N 2.99Å; Y126-H128 PolarHBondContact O-N 2.99Å; Y126-H128 VanDerWaalsContact O-N 3.13Å; Y126-L129 HydrophobicContact CG-CD2 4.46Å; Y126-L129 WeakPolarHBondContact O-CB 3.34Å; Y126-L129 PolarHBondContact O-N 3.31Å | ||
| 127 | P | 88.9 | Confident | 90.5 | Very high | 109 Ų | 109 | 68.5 Ų | 68.5 | 71% | 0.708 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -19.5 | -174.9 | 25.8 | -35.7 | 0 | 0 | 0 | 113.7 | A123 Q125 | A123-P127 WeakPolarHBondContact O-CA 3.29Å; A123-P127 VanDerWaalsContact O-N 3.13Å; Q125-P127 VanDerWaalsContact C-CD 3.45Å; Q125-P127 WeakPolarHBondContact O-CD 3.32Å |
| 128 | H | 89.2 | Confident | 90.8 | Very high | 156 Ų | 156 | 68.4 Ų | 68.4 | 72% | 0.722 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -13.1 | 173.5 | 55.8 | -97.5 | 0 | 0 | 0 | 113.6 | Y126 | Y126-H128 PolarHBondContact O-N 2.99Å; Y126-H128 VanDerWaalsContact O-N 3.13Å |
| 129 | L | 91.4 | Very high | 91.1 | Very high | 59 Ų | 59 | 69.5 Ų | 69.5 | 31% | 0.309 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -89.2 | 121.8 | -172.7 | -174.8 | 58.6 | 0 | 0 | 0 | 111.3 | Y126 E133 L134 | Y126-L129 HydrophobicContact CG-CD2 4.46Å; Y126-L129 WeakPolarHBondContact O-CB 3.34Å; Y126-L129 PolarHBondContact O-N 3.31Å; L129-E133 HydrophobicContact CD1-CB 3.76Å; L129-E133 HydrophobicContact CD1-CG 4.16Å; L129-E133 HydrophobicContact CG-CB 4.21Å; L129-L134 HydrophobicContact CD2-CD2 3.7Å; L129-L134 HydrophobicContact CD2-CG 4.42Å; L129-L134 HydrophobicContact CG-CD2 4.12Å; L129-L134 HydrophobicContact CG-CG 4.34Å |
| 130 | H | 92.6 | Very high | 91 | Very high | 137 Ų | 137 | 71.8 Ų | 71.8 | 63% | 0.634 | 37% | 0.366 | S | S | * | . | trans | -67.1 | 145 | -173.1 | -169.1 | 67.4 | 0 | 0 | 0 | 113.2 | A132 E133 L134 | H130-A132 PolarHBondContact CD2-N 2.9Å; H130-A132 PolarHBondContact O-N 3.28Å; H130-E133 PolarHBondContact O-N 3.47Å; H130-L134 PolarHBondContact O-N 3.03Å | ||
| 131 | N | 91.5 | Very high | 91.1 | Very high | 84 Ų | 84 | 67.6 Ų | 67.6 | 45% | 0.449 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.6 | -22.9 | -174.6 | -89.4 | -84 | 0 | 0 | 0 | 114.8 | R119 S135 | R119-N131 WeakPolarHBondContact CD-OD1 3.33Å; N131-S135 VanDerWaalsContact O-CB 3.31Å; N131-S135 WeakPolarHBondContact O-CB 3.41Å; N131-S135 PolarHBondContact O-N 3.03Å; N131-S135 PolarHBondContact O-OG 3.33Å |
| 132 | A | 94.5 | Very high | 91.4 | Very high | 45 Ų | 45 | 64.8 Ų | 64.8 | 37% | 0.372 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.3 | -45.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | H130 S135 K136 | H130-A132 PolarHBondContact CD2-N 2.9Å; H130-A132 PolarHBondContact O-N 3.28Å; A132-S135 PolarHBondContact O-N 2.9Å; A132-K136 WeakPolarHBondContact O-CG 3.29Å; A132-K136 PolarHBondContact O-N 3.03Å |
| 133 | E | 92.8 | Very high | 91.6 | Very high | 74 Ų | 74 | 74.3 Ų | 74.3 | 35% | 0.346 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.3 | -43.4 | 179.5 | -55.5 | -45.9 | 123 | 0 | 0 | 111.2 | L129 H130 S135 K136 T137 | L129-E133 HydrophobicContact CD1-CB 3.76Å; L129-E133 HydrophobicContact CD1-CG 4.16Å; L129-E133 HydrophobicContact CG-CB 4.21Å; H130-E133 PolarHBondContact O-N 3.47Å; E133-S135 PolarHBondContact O-N 3.19Å; E133-K136 WeakPolarHBondContact O-CB 3.39Å; E133-K136 PolarHBondContact O-N 3.13Å; E133-K136 VanDerWaalsContact O-N 3.14Å; E133-K136 VanDerWaalsContact OE1-CE 3.29Å; E133-K136 WeakPolarHBondContact OE1-CE 3.33Å; E133-K136 IonicContact OE1-NZ 2.62Å; E133-K136 PolarHBondContact OE1-NZ 3.32Å; E133-K136 WeakPolarHBondContact OE2-CD 3.13Å; E133-K136 WeakPolarHBondContact OE2-CE 3.41Å; E133-K136 IonicContact OE2-NZ 2.66Å; E133-K136 PolarHBondContact OE2-NZ 3.12Å; E133-T137 PolarHBondContact O-N 2.78Å; E133-T137 PolarHBondContact O-OG1 3.35Å |
| 134 | L | 91.8 | Very high | 91.7 | Very high | 3 Ų | 3 | 78.4 Ų | 78.4 | 2% | 0.016 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -52.3 | -45.6 | 169.6 | -66.2 | -179.2 | 0 | 0 | 0 | 111.1 | R119 L122 A123 L129 H130 T137 L138 | R119-L134 HydrophobicContact CG-CD1 4.22Å; L122-L134 HydrophobicContact CB-CD2 3.73Å; L122-L134 HydrophobicContact CD1-CD2 4.47Å; A123-L134 HydrophobicContact CB-CD1 4.02Å; L129-L134 HydrophobicContact CD2-CD2 3.7Å; L129-L134 HydrophobicContact CD2-CG 4.42Å; L129-L134 HydrophobicContact CG-CD2 4.12Å; L129-L134 HydrophobicContact CG-CG 4.34Å; H130-L134 PolarHBondContact O-N 3.03Å; L134-T137 PolarHBondContact O-N 3.05Å; L134-L138 WeakPolarHBondContact O-CB 3.44Å; L134-L138 WeakPolarHBondContact O-CD1 3.21Å; L134-L138 WeakPolarHBondContact O-CG 3.34Å; L134-L138 PolarHBondContact O-N 2.99Å |
| 135 | S | 95 | Very high | 91.7 | Very high | 41 Ų | 41 | 74.4 Ų | 74.4 | 29% | 0.287 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -70.5 | -31.4 | -179.2 | -57.5 | 0 | 0 | 0 | 0 | 113.5 | R119 N131 A132 E133 G139 | R119-S135 PolarHBondContact NE-OG 2.65Å; R119-S135 PolarHBondContact NH2-OG 2.97Å; N131-S135 VanDerWaalsContact O-CB 3.31Å; N131-S135 WeakPolarHBondContact O-CB 3.41Å; N131-S135 PolarHBondContact O-N 3.03Å; N131-S135 PolarHBondContact O-OG 3.33Å; A132-S135 PolarHBondContact O-N 2.9Å; E133-S135 PolarHBondContact O-N 3.19Å; S135-G139 PolarHBondContact O-N 3.4Å |
| 136 | K | 94.6 | Very high | 92 | Very high | 116 Ų | 116 | 73 Ų | 73 | 50% | 0.504 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.9 | -47.8 | 170.1 | -67.8 | 177.3 | -158.6 | 165 | 0 | 111 | A132 E133 G139 K140 | A132-K136 WeakPolarHBondContact O-CG 3.29Å; A132-K136 PolarHBondContact O-N 3.03Å; E133-K136 WeakPolarHBondContact O-CB 3.39Å; E133-K136 PolarHBondContact O-N 3.13Å; E133-K136 VanDerWaalsContact O-N 3.14Å; E133-K136 VanDerWaalsContact OE1-CE 3.29Å; E133-K136 WeakPolarHBondContact OE1-CE 3.33Å; E133-K136 IonicContact OE1-NZ 2.62Å; E133-K136 PolarHBondContact OE1-NZ 3.32Å; E133-K136 WeakPolarHBondContact OE2-CD 3.13Å; E133-K136 WeakPolarHBondContact OE2-CE 3.41Å; E133-K136 IonicContact OE2-NZ 2.66Å; E133-K136 PolarHBondContact OE2-NZ 3.12Å; K136-G139 PolarHBondContact O-N 3.3Å; K136-K140 PolarHBondContact O-N 2.77Å |
| 137 | T | 91.6 | Very high | 92.2 | Very high | 27 Ų | 27 | 75.8 Ų | 75.8 | 17% | 0.166 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.9 | -47.3 | -179.2 | -65.4 | 0 | 0 | 0 | 0 | 111.4 | I72 E133 L134 G139 K140 L141 | I72-T137 HydrophobicContact CG2-CG2 3.64Å; E133-T137 PolarHBondContact O-N 2.78Å; E133-T137 PolarHBondContact O-OG1 3.35Å; L134-T137 PolarHBondContact O-N 3.05Å; T137-G139 VanDerWaalsContact C-N 3.32Å; T137-G139 PolarHBondContact O-N 3Å; T137-K140 PolarHBondContact O-N 3.3Å; T137-K140 VanDerWaalsContact O-N 3.09Å; T137-L141 HydrophobicContact CG2-CD1 3.9Å; T137-L141 WeakPolarHBondContact O-CG 3.34Å; T137-L141 PolarHBondContact O-N 2.83Å |
| 138 | L | 93.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.4 | -40.9 | 174.3 | -69.9 | 168.3 | 0 | 0 | 0 | 112.4 | V76 W114 A115 A118 R119 L122 L134 K140 L141 W142 | V76-L138 HydrophobicContact CG2-CD2 4.43Å; W114-L138 HydrophobicContact CH2-CB 4.03Å; W114-L138 HydrophobicContact CH2-CD2 3.6Å; W114-L138 HydrophobicContact CH2-CG 4.45Å; W114-L138 VanDerWaalsContact CH2-O 3.27Å; W114-L138 WeakPolarHBondContact CH2-O 3.49Å; W114-L138 HydrophobicContact CZ2-CD2 4.27Å; W114-L138 HydrophobicContact CZ3-CB 3.85Å; W114-L138 HydrophobicContact CZ3-CD2 3.92Å; W114-L138 HydrophobicContact CZ3-CG 4.48Å; W114-L138 WeakPolarHBondContact CZ3-O 3.26Å; A115-L138 HydrophobicContact CB-CD1 4.36Å; A118-L138 HydrophobicContact CB-CD2 3.41Å; A118-L138 VanDerWaalsContact CB-CD2 3.41Å; R119-L138 HydrophobicContact CB-CD1 3.62Å; R119-L138 HydrophobicContact CG-CD1 4.29Å; L122-L138 HydrophobicContact CD1-CD2 3.89Å; L122-L138 HydrophobicContact CD1-CG 4.21Å; L134-L138 WeakPolarHBondContact O-CB 3.44Å; L134-L138 WeakPolarHBondContact O-CD1 3.21Å; L134-L138 WeakPolarHBondContact O-CG 3.34Å; L134-L138 PolarHBondContact O-N 2.99Å; L138-K140 PolarHBondContact O-N 2.81Å; L138-L141 PolarHBondContact O-N 2.8Å; L138-W142 WeakPolarHBondContact O-CB 3.48Å; L138-W142 PolarHBondContact O-N 3.02Å |
| 139 | G | 95.1 | Very high | 92.3 | Very high | 22 Ų | 22 | 72.2 Ų | 72.2 | 23% | 0.227 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.7 | -22.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S135 K136 T137 R143 | S135-G139 PolarHBondContact O-N 3.4Å; K136-G139 PolarHBondContact O-N 3.3Å; T137-G139 VanDerWaalsContact C-N 3.32Å; T137-G139 PolarHBondContact O-N 3Å; G139-R143 WeakPolarHBondContact O-CG 3.38Å |
| 140 | K | 92.2 | Very high | 92.3 | Very high | 101 Ų | 101 | 71 Ų | 71 | 44% | 0.439 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -85.7 | -48.2 | 172.1 | -62.5 | 178.6 | -169.9 | 176.8 | 0 | 111.3 | F68 K136 T137 L138 W142 R143 L144 | F68-K140 HydrophobicContact CE1-CD 3.85Å; F68-K140 HydrophobicContact CE2-CD 4.16Å; F68-K140 HydrophobicContact CZ-CB 4.39Å; F68-K140 HydrophobicContact CZ-CD 3.28Å; F68-K140 HydrophobicContact CZ-CG 4.48Å; K136-K140 PolarHBondContact O-N 2.77Å; T137-K140 PolarHBondContact O-N 3.3Å; T137-K140 VanDerWaalsContact O-N 3.09Å; L138-K140 PolarHBondContact O-N 2.81Å; K140-W142 VanDerWaalsContact C-N 3.32Å; K140-W142 PolarHBondContact O-N 3.39Å; K140-R143 WeakPolarHBondContact O-CB 3.37Å; K140-R143 PolarHBondContact O-N 2.94Å; K140-L144 PolarHBondContact O-N 3.2Å |
| 141 | L | 91.3 | Very high | 92.3 | Very high | 8 Ų | 8 | 71.7 Ų | 71.7 | 4% | 0.042 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.4 | -40.9 | -179.1 | -66 | 167 | 0 | 0 | 0 | 111.9 | I72 R73 V76 W114 T137 L138 R143 L144 L145 | I72-L141 HydrophobicContact CG2-CD1 3.8Å; R73-L141 HydrophobicContact CG-CD2 4.38Å; V76-L141 HydrophobicContact CB-CD1 4.32Å; V76-L141 HydrophobicContact CG2-CD1 3.71Å; W114-L141 HydrophobicContact CH2-CB 4.04Å; W114-L141 HydrophobicContact CZ2-CB 4.32Å; T137-L141 HydrophobicContact CG2-CD1 3.9Å; T137-L141 WeakPolarHBondContact O-CG 3.34Å; T137-L141 PolarHBondContact O-N 2.83Å; L138-L141 PolarHBondContact O-N 2.8Å; L141-R143 PolarHBondContact O-N 2.84Å; L141-L144 PolarHBondContact O-N 3.4Å; L141-L145 WeakPolarHBondContact O-CG 3.38Å; L141-L145 PolarHBondContact O-N 3.2Å; L141-L145 VanDerWaalsContact O-N 3.14Å |
| 142 | W | 93.4 | Very high | 92.3 | Very high | 42 Ų | 42 | 69.8 Ų | 69.8 | 16% | 0.159 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57 | -30.8 | 173.8 | 179.6 | -102.9 | 0 | 0 | 0 | 114.1 | A110 F111 W114 L138 K140 L145 K150 F153 | A110-W142 HydrophobicContact CB-CH2 3.89Å; A110-W142 HydrophobicContact CB-CZ2 3.9Å; F111-W142 HydrophobicContact CB-CD2 4.4Å; F111-W142 HydrophobicContact CD2-CB 3.73Å; F111-W142 AromaticContact CD2-CD1 3.83Å; F111-W142 AromaticContact CD2-CD2 3.96Å; F111-W142 HydrophobicContact CD2-CD2 3.96Å; F111-W142 AromaticContact CD2-CG 3.54Å; F111-W142 HydrophobicContact CD2-CG 3.54Å; F111-W142 HydrophobicContact CE2-CB 3.91Å; F111-W142 HydrophobicContact CE2-CG 4.23Å; W114-W142 HydrophobicContact CB-CE3 3.98Å; W114-W142 HydrophobicContact CB-CH2 4.47Å; W114-W142 HydrophobicContact CB-CZ3 3.57Å; W114-W142 AromaticContact CD2-CE3 3.51Å; W114-W142 HydrophobicContact CD2-CE3 3.51Å; W114-W142 HydrophobicContact CD2-CZ3 4Å; W114-W142 HydrophobicContact CE3-CB 4.18Å; W114-W142 HydrophobicContact CE3-CD2 4.28Å; W114-W142 AromaticContact CE3-CE3 3.62Å; W114-W142 HydrophobicContact CE3-CE3 3.62Å; W114-W142 HydrophobicContact CE3-CZ3 4.41Å; W114-W142 AromaticContact CG-CE3 3.66Å; W114-W142 HydrophobicContact CG-CE3 3.66Å; W114-W142 AromaticContact CG-CZ3 3.61Å; W114-W142 HydrophobicContact CG-CZ3 3.61Å; W114-W142 HydrophobicContact CH2-CB 4.03Å; W114-W142 HydrophobicContact CZ3-CB 3.73Å; W114-W142 HydrophobicContact CZ3-CE3 4.32Å; L138-W142 WeakPolarHBondContact O-CB 3.48Å; L138-W142 PolarHBondContact O-N 3.02Å; K140-W142 VanDerWaalsContact C-N 3.32Å; K140-W142 PolarHBondContact O-N 3.39Å; W142-L145 HydrophobicContact CE3-CD1 4.02Å; W142-L145 HydrophobicContact CZ3-CD1 4.38Å; W142-K150 HydrophobicContact CE3-CG 4.42Å; W142-K150 HydrophobicContact CH2-CB 3.89Å; W142-K150 HydrophobicContact CH2-CG 3.74Å; W142-K150 HydrophobicContact CZ2-CB 4.2Å; W142-K150 HydrophobicContact CZ2-CD 4.37Å; W142-K150 HydrophobicContact CZ2-CG 3.85Å; W142-K150 HydrophobicContact CZ3-CB 4.48Å; W142-K150 HydrophobicContact CZ3-CG 4.04Å; W142-K150 WeakPolarHBondContact O-CE 3.42Å; W142-F153 HydrophobicContact CH2-CB 4.11Å; W142-F153 HydrophobicContact CZ3-CB 4.36Å; W142-F153 HydrophobicContact CZ3-CD2 4.32Å; W142-F153 HydrophobicContact CZ3-CG 4.48Å |
| 143 | R | 92.8 | Very high | 92.2 | Very high | 203 Ų | 203 | 67.9 Ų | 67.9 | 77% | 0.766 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -74.8 | -30.2 | 177.3 | -64.3 | 173.7 | 179.3 | -168.4 | -3.3 | 112 | G139 K140 L141 | G139-R143 WeakPolarHBondContact O-CG 3.38Å; K140-R143 WeakPolarHBondContact O-CB 3.37Å; K140-R143 PolarHBondContact O-N 2.94Å; L141-R143 PolarHBondContact O-N 2.84Å |
| 144 | L | 90.6 | Very high | 92.3 | Very high | 117 Ų | 117 | 67.4 Ų | 67.4 | 61% | 0.613 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -80.3 | -20.9 | 178.9 | -62 | 174.4 | 0 | 0 | 0 | 113.2 | K140 L141 | K140-L144 PolarHBondContact O-N 3.2Å; L141-L144 PolarHBondContact O-N 3.4Å |
| 145 | L | 88.4 | Confident | 92.5 | Very high | 20 Ų | 20 | 71.9 Ų | 71.9 | 11% | 0.105 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -63.9 | 141.9 | 175.4 | -60 | -169 | 0 | 0 | 0 | 111.6 | L80 W114 L141 W142 E149 K150 | L80-L145 HydrophobicContact CD1-CD1 4.13Å; L80-L145 HydrophobicContact CD1-CD2 3.7Å; L80-L145 HydrophobicContact CD2-CD1 4.18Å; W114-L145 HydrophobicContact CZ2-CD1 4.17Å; L141-L145 WeakPolarHBondContact O-CG 3.38Å; L141-L145 PolarHBondContact O-N 3.2Å; L141-L145 VanDerWaalsContact O-N 3.14Å; W142-L145 HydrophobicContact CE3-CD1 4.02Å; W142-L145 HydrophobicContact CZ3-CD1 4.38Å; L145-E149 HydrophobicContact CB-CB 4.29Å; L145-K150 HydrophobicContact CB-CG 4.12Å; L145-K150 WeakPolarHBondContact O-CE 3.43Å; L145-K150 PolarHBondContact O-NZ 3Å |
| 146 | N | 93.1 | Very high | 92.3 | Very high | 106 Ų | 106 | 71.1 Ų | 71.1 | 57% | 0.567 | 34% | 0.343 | S | S | * | . | trans | -72.1 | 159.9 | 174.5 | -63 | -79.2 | 0 | 0 | 0 | 111 | V148 E149 K150 | N146-V148 PolarHBondContact O-N 3.27Å; N146-E149 HydrophobicContact CB-CG 4.29Å; N146-E149 WeakPolarHBondContact CB-OE2 2.98Å; N146-E149 PolarHBondContact N-OE2 3.23Å; N146-E149 PolarHBondContact ND2-OE2 2.88Å; N146-E149 WeakPolarHBondContact O-CB 2.94Å; N146-E149 PolarHBondContact O-N 3.15Å; N146-K150 WeakPolarHBondContact O-CG 3.46Å; N146-K150 PolarHBondContact O-N 2.97Å | ||
| 147 | E | 91.7 | Very high | 92.3 | Very high | 121 Ų | 121 | 66.1 Ų | 66.1 | 57% | 0.565 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -65.4 | -30.8 | -179.1 | -156.7 | 55.2 | -141.4 | 0 | 0 | 112.4 | E149 K150 R151 | E147-E149 VanDerWaalsContact C-N 3.29Å; E147-E149 PolarHBondContact O-N 3.36Å; E147-K150 PolarHBondContact O-N 3.2Å; E147-K150 WeakPolarHBondContact OE2-CD 3.39Å; E147-K150 IonicContact OE2-NZ 2.73Å; E147-R151 VanDerWaalsContact O-CB 3.3Å; E147-R151 WeakPolarHBondContact O-CB 3.21Å; E147-R151 PolarHBondContact O-N 3.3Å |
| 148 | V | 91.1 | Very high | 92.6 | Very high | 122 Ų | 122 | 68.6 Ų | 68.6 | 74% | 0.739 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.3 | -35.1 | 172 | -175 | 0 | 0 | 0 | 0 | 112 | N146 P152 | N146-V148 PolarHBondContact O-N 3.27Å; V148-P152 WeakPolarHBondContact O-CD 3.2Å |
| 149 | E | 88.4 | Confident | 92.7 | Very high | 69 Ų | 69 | 73.3 Ų | 73.3 | 32% | 0.322 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -79.8 | -30.3 | 178.4 | -61.1 | 173.6 | 106 | 0 | 0 | 112.1 | L145 N146 E147 F153 | L145-E149 HydrophobicContact CB-CB 4.29Å; N146-E149 HydrophobicContact CB-CG 4.29Å; N146-E149 WeakPolarHBondContact CB-OE2 2.98Å; N146-E149 PolarHBondContact N-OE2 3.23Å; N146-E149 PolarHBondContact ND2-OE2 2.88Å; N146-E149 WeakPolarHBondContact O-CB 2.94Å; N146-E149 PolarHBondContact O-N 3.15Å; E147-E149 VanDerWaalsContact C-N 3.29Å; E147-E149 PolarHBondContact O-N 3.36Å; E149-F153 VanDerWaalsContact O-CD2 3.29Å; E149-F153 WeakPolarHBondContact O-CD2 3.48Å; E149-F153 WeakPolarHBondContact O-CE2 3.03Å |
| 150 | K | 91.7 | Very high | 92.7 | Very high | 32 Ų | 32 | 73 Ų | 73 | 14% | 0.139 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -74.5 | -37.4 | 173.8 | -69.6 | 162 | 173.9 | 148.1 | 0 | 112.1 | W142 L145 N146 E147 F153 V154 | W142-K150 HydrophobicContact CE3-CG 4.42Å; W142-K150 HydrophobicContact CH2-CB 3.89Å; W142-K150 HydrophobicContact CH2-CG 3.74Å; W142-K150 HydrophobicContact CZ2-CB 4.2Å; W142-K150 HydrophobicContact CZ2-CD 4.37Å; W142-K150 HydrophobicContact CZ2-CG 3.85Å; W142-K150 HydrophobicContact CZ3-CB 4.48Å; W142-K150 HydrophobicContact CZ3-CG 4.04Å; W142-K150 WeakPolarHBondContact O-CE 3.42Å; L145-K150 HydrophobicContact CB-CG 4.12Å; L145-K150 WeakPolarHBondContact O-CE 3.43Å; L145-K150 PolarHBondContact O-NZ 3Å; N146-K150 WeakPolarHBondContact O-CG 3.46Å; N146-K150 PolarHBondContact O-N 2.97Å; E147-K150 PolarHBondContact O-N 3.2Å; E147-K150 WeakPolarHBondContact OE2-CD 3.39Å; E147-K150 IonicContact OE2-NZ 2.73Å; K150-F153 WeakPolarHBondContact O-CA 3.33Å; K150-F153 WeakPolarHBondContact O-CB 3.27Å; K150-F153 PolarHBondContact O-N 2.91Å; K150-V154 PolarHBondContact O-N 3.06Å |
| 151 | R | 94 | Very high | 92.9 | Very high | 152 Ų | 152 | 74.7 Ų | 74.7 | 57% | 0.574 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -42 | -53.7 | -173.8 | 179.6 | 173.2 | 177.4 | 150.9 | 10.3 | 115 | E147 F153 V154 E155 | E147-R151 VanDerWaalsContact O-CB 3.3Å; E147-R151 WeakPolarHBondContact O-CB 3.21Å; E147-R151 PolarHBondContact O-N 3.3Å; R151-F153 VanDerWaalsContact C-N 3.25Å; R151-F153 PolarHBondContact O-N 3.04Å; R151-V154 WeakPolarHBondContact O-CA 3.44Å; R151-V154 WeakPolarHBondContact O-CB 3.46Å; R151-V154 PolarHBondContact O-N 3.18Å; R151-E155 HydrophobicContact CG-CG 4.37Å; R151-E155 IonicContact CZ-OE1 3.19Å; R151-E155 VanDerWaalsContact CZ-OE1 3.26Å; R151-E155 IonicContact NE-OE1 3.38Å; R151-E155 PolarHBondContact NE-OE1 2.93Å; R151-E155 IonicContact NH2-OE1 3.26Å; R151-E155 PolarHBondContact NH2-OE1 2.8Å; R151-E155 PolarHBondContact O-N 3.26Å |
| 152 | P | 91.6 | Very high | 93.1 | Very high | 45 Ų | 45 | 78.3 Ų | 78.3 | 29% | 0.292 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.6 | -27.9 | -178.4 | 27.2 | -36.6 | 0 | 0 | 0 | 113 | W85 V148 E156 | W85-P152 HydrophobicContact CH2-CB 3.79Å; W85-P152 HydrophobicContact CH2-CG 4.3Å; W85-P152 HydrophobicContact CZ2-CB 3.72Å; W85-P152 HydrophobicContact CZ2-CG 4.24Å; V148-P152 WeakPolarHBondContact O-CD 3.2Å; P152-E156 VanDerWaalsContact O-CB 3.31Å; P152-E156 WeakPolarHBondContact O-CB 3.49Å; P152-E156 PolarHBondContact O-N 3.29Å |
| 153 | F | 92 | Very high | 93.2 | Very high | 4 Ų | 4 | 79.5 Ų | 79.5 | 2% | 0.018 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -76.9 | -26.4 | 172.4 | -53.9 | -80.7 | 0 | 0 | 0 | 112.6 | L80 Y83 W85 A110 V113 W114 W142 E149 K150 R151 A157 | L80-F153 HydrophobicContact CD2-CE2 3.51Å; L80-F153 HydrophobicContact CD2-CZ 3.82Å; Y83-F153 AromaticContact CD1-CE1 3.81Å; Y83-F153 HydrophobicContact CD1-CE1 3.81Å; Y83-F153 HydrophobicContact CD1-CZ 4.42Å; Y83-F153 HydrophobicContact CE1-CE1 4.14Å; W85-F153 AromaticContact CH2-CD1 3.47Å; W85-F153 HydrophobicContact CH2-CD1 3.47Å; W85-F153 VanDerWaalsContact CH2-CD1 3.47Å; W85-F153 HydrophobicContact CH2-CD2 4.41Å; W85-F153 AromaticContact CH2-CE1 3.41Å; W85-F153 HydrophobicContact CH2-CE1 3.41Å; W85-F153 VanDerWaalsContact CH2-CE1 3.41Å; W85-F153 HydrophobicContact CH2-CE2 4.34Å; W85-F153 AromaticContact CH2-CG 3.99Å; W85-F153 HydrophobicContact CH2-CG 3.99Å; W85-F153 AromaticContact CH2-CZ 3.86Å; W85-F153 HydrophobicContact CH2-CZ 3.86Å; W85-F153 HydrophobicContact CZ2-CE1 4.23Å; W85-F153 HydrophobicContact CZ2-CZ 4.34Å; W85-F153 AromaticContact CZ3-CD1 3.72Å; W85-F153 HydrophobicContact CZ3-CD1 3.72Å; W85-F153 AromaticContact CZ3-CE1 3.86Å; W85-F153 HydrophobicContact CZ3-CE1 3.86Å; W85-F153 HydrophobicContact CZ3-CG 4.48Å; A110-F153 WeakPolarHBondContact CA-O 3.47Å; A110-F153 HydrophobicContact CB-CB 4.32Å; A110-F153 WeakPolarHBondContact CB-O 3.43Å; V113-F153 HydrophobicContact CG1-CD1 4.16Å; W114-F153 HydrophobicContact CB-CB 4.31Å; W114-F153 HydrophobicContact CB-CD1 3.64Å; W114-F153 HydrophobicContact CB-CD2 4.26Å; W114-F153 HydrophobicContact CB-CE1 4.01Å; W114-F153 HydrophobicContact CB-CG 3.79Å; W114-F153 HydrophobicContact CB-CZ 4.49Å; W114-F153 AromaticContact CD1-CE2 3.79Å; W114-F153 AromaticContact CD1-CZ 3.75Å; W114-F153 HydrophobicContact CG-CD1 4.47Å; W114-F153 HydrophobicContact CG-CE1 4.47Å; W142-F153 HydrophobicContact CH2-CB 4.11Å; W142-F153 HydrophobicContact CZ3-CB 4.36Å; W142-F153 HydrophobicContact CZ3-CD2 4.32Å; W142-F153 HydrophobicContact CZ3-CG 4.48Å; E149-F153 VanDerWaalsContact O-CD2 3.29Å; E149-F153 WeakPolarHBondContact O-CD2 3.48Å; E149-F153 WeakPolarHBondContact O-CE2 3.03Å; K150-F153 WeakPolarHBondContact O-CA 3.33Å; K150-F153 WeakPolarHBondContact O-CB 3.27Å; K150-F153 PolarHBondContact O-N 2.91Å; R151-F153 VanDerWaalsContact C-N 3.25Å; R151-F153 PolarHBondContact O-N 3.04Å; F153-A157 WeakPolarHBondContact O-CB 3.47Å; F153-A157 PolarHBondContact O-N 2.95Å |
| 154 | V | 94.6 | Very high | 93.3 | Very high | 64 Ų | 64 | 71.2 Ų | 71.2 | 39% | 0.388 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -70.9 | -47.3 | 170.7 | 178.4 | 0 | 0 | 0 | 0 | 110.2 | A110 K150 R151 A157 E158 | A110-V154 HydrophobicContact CB-CB 4.39Å; A110-V154 HydrophobicContact CB-CG2 3.79Å; K150-V154 PolarHBondContact O-N 3.06Å; R151-V154 WeakPolarHBondContact O-CA 3.44Å; R151-V154 WeakPolarHBondContact O-CB 3.46Å; R151-V154 PolarHBondContact O-N 3.18Å; V154-A157 PolarHBondContact O-N 2.86Å; V154-E158 WeakPolarHBondContact O-CB 3.46Å; V154-E158 PolarHBondContact O-N 3.17Å |
| 155 | E | 94.9 | Very high | 93.6 | Very high | 97 Ų | 97 | 72 Ų | 72 | 45% | 0.453 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 176.8 | -69.6 | 171.7 | 168.9 | 0 | 0 | 111.5 | R151 E158 R159 | R151-E155 HydrophobicContact CG-CG 4.37Å; R151-E155 IonicContact CZ-OE1 3.19Å; R151-E155 VanDerWaalsContact CZ-OE1 3.26Å; R151-E155 IonicContact NE-OE1 3.38Å; R151-E155 PolarHBondContact NE-OE1 2.93Å; R151-E155 IonicContact NH2-OE1 3.26Å; R151-E155 PolarHBondContact NH2-OE1 2.8Å; R151-E155 PolarHBondContact O-N 3.26Å; E155-E158 PolarHBondContact O-N 2.99Å; E155-R159 WeakPolarHBondContact O-CB 3.4Å; E155-R159 PolarHBondContact O-N 3.44Å |
| 156 | E | 91.9 | Very high | 93.9 | Very high | 25 Ų | 25 | 78.8 Ų | 78.8 | 12% | 0.117 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66 | -39.7 | 174.7 | 173.3 | 56.4 | -163.2 | 0 | 0 | 112.8 | W85 V113 P152 E158 R159 L160 | W85-E156 HydrophobicContact CE3-CB 4.17Å; W85-E156 HydrophobicContact CE3-CG 4.04Å; W85-E156 HydrophobicContact CZ3-CB 3.83Å; W85-E156 HydrophobicContact CZ3-CG 4.03Å; V113-E156 HydrophobicContact CG1-CG 3.92Å; P152-E156 VanDerWaalsContact O-CB 3.31Å; P152-E156 WeakPolarHBondContact O-CB 3.49Å; P152-E156 PolarHBondContact O-N 3.29Å; E156-E158 VanDerWaalsContact C-N 3.32Å; E156-E158 PolarHBondContact O-N 3.37Å; E156-R159 VanDerWaalsContact CD-NH2 3.35Å; E156-R159 PolarHBondContact O-N 3Å; E156-R159 IonicContact OE1-CZ 3.21Å; E156-R159 IonicContact OE1-NE 2.71Å; E156-R159 IonicContact OE1-NH2 2.65Å; E156-R159 PolarHBondContact OE1-NH2 3.42Å; E156-R159 IonicContact OE2-CZ 3.63Å; E156-R159 IonicContact OE2-NE 2.67Å; E156-R159 PolarHBondContact OE2-NE 3.19Å; E156-R159 IonicContact OE2-NH2 2.71Å; E156-R159 PolarHBondContact OE2-NH2 3.03Å; E156-L160 HydrophobicContact CG-CD1 4.31Å; E156-L160 WeakPolarHBondContact O-CB 3.13Å; E156-L160 VanDerWaalsContact O-CG 3.3Å; E156-L160 WeakPolarHBondContact O-CG 3.42Å; E156-L160 PolarHBondContact O-N 2.76Å; E156-L160 WeakPolarHBondContact OE1-CG 3.37Å |
| 157 | A | 94.8 | Very high | 94 | Very high | 11 Ų | 11 | 78.1 Ų | 78.1 | 9% | 0.091 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.2 | -35.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M108 A110 V113 F153 V154 L160 R161 | M108-A157 WeakPolarHBondContact O-CB 3.4Å; A110-A157 HydrophobicContact CB-CB 4.16Å; V113-A157 HydrophobicContact CG2-CB 4.25Å; F153-A157 WeakPolarHBondContact O-CB 3.47Å; F153-A157 PolarHBondContact O-N 2.95Å; V154-A157 PolarHBondContact O-N 2.86Å; A157-L160 PolarHBondContact O-N 2.86Å; A157-R161 WeakPolarHBondContact O-CB 3.46Å; A157-R161 PolarHBondContact O-N 2.96Å |
| 158 | E | 97.1 | Very high | 94.1 | Very high | 79 Ų | 79 | 75.6 Ų | 75.6 | 37% | 0.369 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -71.1 | -40.7 | 174.5 | -175 | 55.5 | -158.5 | 0 | 0 | 111.3 | V154 E155 E156 L160 R161 V162 | V154-E158 WeakPolarHBondContact O-CB 3.46Å; V154-E158 PolarHBondContact O-N 3.17Å; E155-E158 PolarHBondContact O-N 2.99Å; E156-E158 VanDerWaalsContact C-N 3.32Å; E156-E158 PolarHBondContact O-N 3.37Å; E158-L160 VanDerWaalsContact C-N 3.31Å; E158-L160 PolarHBondContact O-N 2.71Å; E158-R161 VanDerWaalsContact CD-NE 3.26Å; E158-R161 WeakPolarHBondContact O-CA 3.24Å; E158-R161 WeakPolarHBondContact O-CB 3.38Å; E158-R161 PolarHBondContact O-N 3.34Å; E158-R161 IonicContact OE1-CZ 2.97Å; E158-R161 IonicContact OE1-NE 3.8Å; E158-R161 PolarHBondContact OE1-NE 2.85Å; E158-R161 IonicContact OE1-NH2 3.7Å; E158-R161 PolarHBondContact OE1-NH2 3.26Å; E158-R161 WeakPolarHBondContact OE2-CD 3.16Å; E158-R161 IonicContact OE2-CZ 2.77Å; E158-R161 IonicContact OE2-NE 3.44Å; E158-R161 PolarHBondContact OE2-NE 3.28Å; E158-R161 IonicContact OE2-NH2 3.77Å; E158-V162 WeakPolarHBondContact O-CG2 3.44Å; E158-V162 PolarHBondContact O-N 3.16Å |
| 159 | R | 96.7 | Very high | 94.2 | Very high | 100 Ų | 100 | 74.6 Ų | 74.6 | 38% | 0.377 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57 | -43.9 | 170.2 | -165.7 | -165 | 67 | 74.1 | 4.4 | 111.4 | E155 E156 V162 Q163 | E155-R159 WeakPolarHBondContact O-CB 3.4Å; E155-R159 PolarHBondContact O-N 3.44Å; E156-R159 VanDerWaalsContact CD-NH2 3.35Å; E156-R159 PolarHBondContact O-N 3Å; E156-R159 IonicContact OE1-CZ 3.21Å; E156-R159 IonicContact OE1-NE 2.71Å; E156-R159 IonicContact OE1-NH2 2.65Å; E156-R159 PolarHBondContact OE1-NH2 3.42Å; E156-R159 IonicContact OE2-CZ 3.63Å; E156-R159 IonicContact OE2-NE 2.67Å; E156-R159 PolarHBondContact OE2-NE 3.19Å; E156-R159 IonicContact OE2-NH2 2.71Å; E156-R159 PolarHBondContact OE2-NH2 3.03Å; R159-V162 PolarHBondContact O-N 2.94Å; R159-Q163 VanDerWaalsContact O-CB 3.23Å; R159-Q163 WeakPolarHBondContact O-CB 3.45Å; R159-Q163 PolarHBondContact O-N 3.44Å |
| 160 | L | 94.6 | Very high | 94.5 | Very high | 15 Ų | 15 | 78.8 Ų | 78.8 | 8% | 0.079 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65 | -34.7 | 173.5 | -71.6 | 171.1 | 0 | 0 | 0 | 112.6 | M108 V113 E156 A157 E158 H164 | M108-L160 HydrophobicContact CB-CD1 4.41Å; M108-L160 HydrophobicContact CE-CD1 4.27Å; V113-L160 HydrophobicContact CG2-CD1 3.82Å; E156-L160 HydrophobicContact CG-CD1 4.31Å; E156-L160 WeakPolarHBondContact O-CB 3.13Å; E156-L160 VanDerWaalsContact O-CG 3.3Å; E156-L160 WeakPolarHBondContact O-CG 3.42Å; E156-L160 PolarHBondContact O-N 2.76Å; E156-L160 WeakPolarHBondContact OE1-CG 3.37Å; A157-L160 PolarHBondContact O-N 2.86Å; E158-L160 VanDerWaalsContact C-N 3.31Å; E158-L160 PolarHBondContact O-N 2.71Å; L160-H164 WeakPolarHBondContact O-CB 3.47Å; L160-H164 PolarHBondContact O-N 3.44Å |
| 161 | R | 96.4 | Very high | 94.7 | Very high | 137 Ų | 137 | 80.4 Ų | 80.4 | 52% | 0.517 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67 | -46.9 | 175.2 | -168.8 | -173.3 | 76.1 | 95 | -2.1 | 111.8 | A157 E158 H164 K165 | A157-R161 WeakPolarHBondContact O-CB 3.46Å; A157-R161 PolarHBondContact O-N 2.96Å; E158-R161 VanDerWaalsContact CD-NE 3.26Å; E158-R161 WeakPolarHBondContact O-CA 3.24Å; E158-R161 WeakPolarHBondContact O-CB 3.38Å; E158-R161 PolarHBondContact O-N 3.34Å; E158-R161 IonicContact OE1-CZ 2.97Å; E158-R161 IonicContact OE1-NE 3.8Å; E158-R161 PolarHBondContact OE1-NE 2.85Å; E158-R161 IonicContact OE1-NH2 3.7Å; E158-R161 PolarHBondContact OE1-NH2 3.26Å; E158-R161 WeakPolarHBondContact OE2-CD 3.16Å; E158-R161 IonicContact OE2-CZ 2.77Å; E158-R161 IonicContact OE2-NE 3.44Å; E158-R161 PolarHBondContact OE2-NE 3.28Å; E158-R161 IonicContact OE2-NH2 3.77Å; R161-H164 PolarHBondContact O-N 3.48Å; R161-K165 PolarHBondContact O-N 3.25Å |
| 162 | V | 96.3 | Very high | 94.7 | Very high | 83 Ų | 83 | 81.1 Ų | 81.1 | 50% | 0.503 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65 | -47.2 | 178.2 | 173 | 0 | 0 | 0 | 0 | 110.7 | E158 R159 H164 K165 K166 | E158-V162 WeakPolarHBondContact O-CG2 3.44Å; E158-V162 PolarHBondContact O-N 3.16Å; R159-V162 PolarHBondContact O-N 2.94Å; V162-H164 VanDerWaalsContact C-N 3.27Å; V162-H164 PolarHBondContact O-N 2.88Å; V162-K165 PolarHBondContact O-N 3.31Å; V162-K166 PolarHBondContact O-N 2.92Å |
| 163 | Q | 94.1 | Very high | 94.8 | Very high | 68 Ų | 68 | 84.4 Ų | 84.4 | 32% | 0.318 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -57.1 | -41.9 | 174.3 | -175 | 61.7 | 43 | 0 | 0 | 111.2 | R159 K166 D167 | R159-Q163 VanDerWaalsContact O-CB 3.23Å; R159-Q163 WeakPolarHBondContact O-CB 3.45Å; R159-Q163 PolarHBondContact O-N 3.44Å; Q163-K166 WeakPolarHBondContact O-CB 3.46Å; Q163-K166 PolarHBondContact O-N 3.05Å; Q163-D167 WeakPolarHBondContact CG-OD2 3.48Å; Q163-D167 PolarHBondContact NE2-OD1 2.94Å; Q163-D167 PolarHBondContact NE2-OD2 2.88Å; Q163-D167 PolarHBondContact O-N 3.11Å |
| 164 | H | 96 | Very high | 94.8 | Very high | 28 Ų | 28 | 91.9 Ų | 91.9 | 13% | 0.13 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -66.9 | -38.3 | 176.8 | -165.4 | 89.4 | 0 | 0 | 0 | 113.7 | V104 K105 P107 L160 R161 V162 K166 H168 Y171 | V104-H164 WeakPolarHBondContact CG1-CE1 3.31Å; K105-H164 PolarHBondContact O-CE1 3.46Å; P107-H164 HydrophobicContact CB-CB 4Å; P107-H164 HydrophobicContact CG-CB 4.14Å; L160-H164 WeakPolarHBondContact O-CB 3.47Å; L160-H164 PolarHBondContact O-N 3.44Å; R161-H164 PolarHBondContact O-N 3.48Å; V162-H164 VanDerWaalsContact C-N 3.27Å; V162-H164 PolarHBondContact O-N 2.88Å; H164-K166 VanDerWaalsContact C-N 3.26Å; H164-K166 PolarHBondContact O-N 3.37Å; H164-H168 AromaticContact CE1-CD2 3.6Å; H164-H168 AromaticContact ND1-CD2 3.92Å; H164-H168 PolarHBondContact O-N 3.23Å; H164-Y171 AromaticContact CD2-CD1 3.94Å; H164-Y171 AromaticContact NE2-CD1 3.55Å; H164-Y171 AromaticContact NE2-CD2 3.68Å; H164-Y171 AromaticContact NE2-CE1 3.84Å; H164-Y171 AromaticContact NE2-CE2 3.96Å; H164-Y171 AromaticContact NE2-CG 3.45Å |
| 165 | K | 96.1 | Very high | 94.6 | Very high | 134 Ų | 134 | 93.2 Ų | 93.2 | 58% | 0.583 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -60.6 | -38.5 | 171.7 | -172.2 | -167.8 | 174.9 | -165.7 | 0 | 110.5 | R161 V162 H168 P169 | R161-K165 PolarHBondContact O-N 3.25Å; V162-K165 PolarHBondContact O-N 3.31Å; K165-H168 CarbonylContact O-C 3.49Å; K165-P169 VanDerWaalsContact O-CA 3.32Å; K165-P169 WeakPolarHBondContact O-CA 3.49Å |
| 166 | K | 95.8 | Very high | 94.3 | Very high | 162 Ų | 162 | 98.5 Ų | 98.5 | 70% | 0.704 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -72 | -45.5 | 179.9 | -175.6 | 175.7 | 179.8 | 175.1 | 0 | 113.2 | V162 Q163 H164 H168 | V162-K166 PolarHBondContact O-N 2.92Å; Q163-K166 WeakPolarHBondContact O-CB 3.46Å; Q163-K166 PolarHBondContact O-N 3.05Å; H164-K166 VanDerWaalsContact C-N 3.26Å; H164-K166 PolarHBondContact O-N 3.37Å; K166-H168 VanDerWaalsContact C-N 3.34Å |
| 167 | D | 93.5 | Very high | 94 | Very high | 92 Ų | 92 | 108.5 Ų | 108.5 | 49% | 0.492 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -74.6 | -26.6 | -178.8 | -66.3 | -27.7 | 0 | 0 | 0 | 112.6 | Q163 | Q163-D167 WeakPolarHBondContact CG-OD2 3.48Å; Q163-D167 PolarHBondContact NE2-OD1 2.94Å; Q163-D167 PolarHBondContact NE2-OD2 2.88Å; Q163-D167 PolarHBondContact O-N 3.11Å |
| 168 | H | 93.7 | Very high | 93.4 | Very high | 68 Ų | 68 | 118.8 Ų | 118.8 | 32% | 0.315 | 53% | 0.533 | S | S | . | . | trans | -137.9 | 71.1 | -176.7 | -56.5 | -38.3 | 0 | 0 | 0 | 111.2 | V104 H164 K165 K166 D170 Y171 | V104-H168 WeakPolarHBondContact CG1-CD2 3.38Å; H164-H168 AromaticContact CE1-CD2 3.6Å; H164-H168 AromaticContact ND1-CD2 3.92Å; H164-H168 PolarHBondContact O-N 3.23Å; K165-H168 CarbonylContact O-C 3.49Å; K166-H168 VanDerWaalsContact C-N 3.34Å; H168-D170 VanDerWaalsContact C-N 3.28Å; H168-D170 PolarHBondContact O-N 3.03Å; H168-Y171 WeakPolarHBondContact O-CB 3.32Å; H168-Y171 PolarHBondContact O-N 3.09Å | ||
| 169 | P | 95 | Very high | 92.4 | Very high | 101 Ų | 101 | 123 Ų | 123 | 66% | 0.656 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -36.8 | -178.9 | 23.4 | -33.8 | 0 | 0 | 0 | 112.7 | K165 Y171 | K165-P169 VanDerWaalsContact O-CA 3.32Å; K165-P169 WeakPolarHBondContact O-CA 3.49Å; P169-Y171 PolarHBondContact O-N 3.39Å; P169-Y171 VanDerWaalsContact O-N 3.15Å |
| 170 | D | 94.1 | Very high | 90.9 | Very high | 157 Ų | 157 | 123.9 Ų | 123.9 | 84% | 0.84 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 9.7 | 175.5 | -56.8 | -66.4 | 0 | 0 | 0 | 114.2 | H168 K172 | H168-D170 VanDerWaalsContact C-N 3.28Å; H168-D170 PolarHBondContact O-N 3.03Å; D170-K172 PolarHBondContact O-N 3.32Å |
| 171 | Y | 95.4 | Very high | 89.2 | Confident | 66 Ų | 66 | 128.2 Ų | 128.2 | 26% | 0.259 | 60% | 0.599 | S | S | . | * | trans | -69.1 | 97.9 | -175.6 | -174.6 | -102.3 | 0 | 0 | 0 | 112.8 | V104 R106 H164 H168 P169 | V104-Y171 HydrophobicContact CB-CD2 3.92Å; V104-Y171 HydrophobicContact CB-CE2 3.85Å; V104-Y171 HydrophobicContact CG1-CD2 3.43Å; V104-Y171 VanDerWaalsContact CG1-CD2 3.43Å; V104-Y171 HydrophobicContact CG1-CE2 3.52Å; V104-Y171 HydrophobicContact CG1-CG 4.41Å; V104-Y171 WeakPolarHBondContact O-CE2 3.46Å; R106-Y171 WeakPolarHBondContact CG-OH 3.44Å; H164-Y171 AromaticContact CD2-CD1 3.94Å; H164-Y171 AromaticContact NE2-CD1 3.55Å; H164-Y171 AromaticContact NE2-CD2 3.68Å; H164-Y171 AromaticContact NE2-CE1 3.84Å; H164-Y171 AromaticContact NE2-CE2 3.96Å; H164-Y171 AromaticContact NE2-CG 3.45Å; H168-Y171 WeakPolarHBondContact O-CB 3.32Å; H168-Y171 PolarHBondContact O-N 3.09Å; P169-Y171 PolarHBondContact O-N 3.39Å; P169-Y171 VanDerWaalsContact O-N 3.15Å | ||
| 172 | K | 93.7 | Very high | 87.5 | Confident | 168 Ų | 168 | 129.3 Ų | 129.3 | 73% | 0.73 | 61% | 0.607 | S | S | * | * | trans | -97.7 | 119.1 | 171 | -164.3 | 162 | -171.2 | 164.9 | 0 | 111.2 | D170 Q174 | D170-K172 PolarHBondContact O-N 3.32Å; K172-Q174 PolarHBondContact O-N 3.01Å | ||
| 173 | Y | 94.9 | Very high | 85 | Confident | 114 Ų | 114 | 131.5 Ų | 131.5 | 45% | 0.447 | 62% | 0.616 | S | S | . | * | trans | -63.8 | 121.2 | 172.5 | 170.4 | -137 | 0 | 0 | 0 | 110.9 | R106 P175 | R106-Y173 VanDerWaalsContact CZ-CZ 3.47Å; R106-Y173 VanDerWaalsContact NH1-CZ 3.3Å; R106-Y173 PolarHBondContact NH1-OH 3.39Å; R106-Y173 VanDerWaalsContact NH2-CZ 3.34Å; R106-Y173 PolarHBondContact NH2-OH 3.48Å; Y173-P175 HydrophobicContact CD1-CG 4.44Å; Y173-P175 HydrophobicContact CE1-CG 3.82Å; Y173-P175 HydrophobicContact CE2-CB 4.45Å; Y173-P175 HydrophobicContact CE2-CG 4.2Å | ||
| 174 | Q | 91.4 | Very high | 82.6 | Confident | 160 Ų | 160 | 131.9 Ų | 131.9 | 75% | 0.748 | 64% | 0.638 | S | S | * | * | trans | -114.9 | 106 | 176.9 | -65 | 178.5 | 17.5 | 0 | 0 | 110.4 | K172 R176 | K172-Q174 PolarHBondContact O-N 3.01Å; Q174-R176 PolarHBondContact O-N 2.98Å | ||
| 175 | P | 90.9 | Very high | 80.2 | Confident | 92 Ų | 92 | 138.8 Ų | 138.8 | 60% | 0.597 | 67% | 0.67 | S | S | * | * | trans | -66.3 | 114.9 | 175.2 | -16.8 | 28.3 | 0 | 0 | 0 | 111.5 | Y173 R177 | Y173-P175 HydrophobicContact CD1-CG 4.44Å; Y173-P175 HydrophobicContact CE1-CG 3.82Å; Y173-P175 HydrophobicContact CE2-CB 4.45Å; Y173-P175 HydrophobicContact CE2-CG 4.2Å; P175-R177 PolarHBondContact O-N 3.24Å; P175-R177 VanDerWaalsContact O-N 3.1Å | ||
| 176 | R | 88.1 | Confident | 77.7 | Confident | 208 Ų | 208 | 139.9 Ų | 139.9 | 79% | 0.785 | 68% | 0.683 | S | S | * | * | trans | -74.4 | 101.2 | 176.6 | -173.5 | 176.3 | -174.3 | -96.1 | 7.4 | 110.8 | Q174 R178 | Q174-R176 PolarHBondContact O-N 2.98Å; R176-R178 PolarHBondContact O-N 2.96Å | ||
| 177 | R | 86.3 | Confident | 75.2 | Confident | 235 Ų | 235 | 140.9 Ų | 140.9 | 89% | 0.887 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -52 | 125.7 | 164.4 | -84.8 | 179 | 69.3 | 177.4 | 1.1 | 109 | P175 K179 | P175-R177 PolarHBondContact O-N 3.24Å; P175-R177 VanDerWaalsContact O-N 3.1Å; R177-K179 PolarHBondContact O-N 3.31Å |
| 178 | R | 82.3 | Confident | 72.9 | Confident | 228 Ų | 228 | 141.8 Ų | 141.8 | 86% | 0.86 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -67 | 118.3 | 165.6 | -67.2 | 177.7 | 70.2 | -174.8 | 1.6 | 106.9 | R176 S180 | R176-R178 PolarHBondContact O-N 2.96Å; R178-S180 PolarHBondContact O-N 3.48Å |
| 179 | K | 76.3 | Confident | 70.4 | Confident | 167 Ų | 167 | 148 Ų | 148 | 73% | 0.726 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 128 | 159.6 | 59.2 | 175.2 | -178 | 171 | 0 | 107.1 | R177 V181 | R177-K179 PolarHBondContact O-N 3.31Å; K179-V181 PolarHBondContact O-N 3.44Å |
| 180 | S | 65.2 | Low | 68 | Low | 119 Ų | 119 | 151.2 Ų | 151.2 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 117.2 | 172 | -168.8 | 0 | 0 | 0 | 0 | 107.1 | R178 K182 | R178-S180 PolarHBondContact O-N 3.48Å; S180-K182 PolarHBondContact O-N 3.18Å |
| 181 | V | 58.3 | Low | 65.4 | Low | 106 Ų | 106 | 146.6 Ų | 146.6 | 64% | 0.642 | 73% | 0.734 | S | S | * | * | trans | -85.8 | 91.1 | 173 | -172.9 | 0 | 0 | 0 | 0 | 105.3 | K179 N183 | K179-V181 PolarHBondContact O-N 3.44Å; V181-N183 PolarHBondContact O-N 3.35Å | ||
| 182 | K | 60.9 | Low | 63.1 | Low | 159 Ų | 159 | 153 Ų | 153 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | trans | -64.7 | 115.6 | 162.2 | -172.2 | 167.7 | -175.8 | 176.7 | 0 | 105.1 | S180 G184 H195 | S180-K182 PolarHBondContact O-N 3.18Å; K182-G184 PolarHBondContact O-N 3Å; K182-H195 PolarHBondContact NZ-CD2 2.89Å; K182-H195 PolarHBondContact NZ-NE2 2.98Å; K182-H195 VanDerWaalsContact NZ-NE2 3.14Å | ||
| 183 | N | 43.3 | Very low | 60.8 | Low | 130 Ų | 130 | 154 Ų | 154 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | trans | -59.1 | 113.5 | -179.9 | -85 | 15.3 | 0 | 0 | 0 | 108.5 | V181 Q185 | V181-N183 PolarHBondContact O-N 3.35Å; N183-Q185 PolarHBondContact O-N 3.37Å | ||
| 184 | G | 44 | Very low | 58.6 | Low | 75 Ų | 75 | 154.3 Ų | 154.3 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -79.2 | 89.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | K182 N186 | K182-G184 PolarHBondContact O-N 3Å; G184-N186 PolarHBondContact O-N 3.14Å | ||
| 185 | Q | 44.5 | Very low | 56.2 | Low | 174 Ų | 174 | 153.9 Ų | 153.9 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -74.5 | 107.4 | 153.2 | -75.4 | 173.1 | -80.2 | 0 | 0 | 106.3 | N183 | N183-Q185 PolarHBondContact O-N 3.37Š| ||
| 186 | N | 44.8 | Very low | 54.7 | Low | 157 Ų | 157 | 154.7 Ų | 154.7 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | trans | -71.8 | 119.2 | 144.2 | -83.9 | 11.2 | 0 | 0 | 0 | 105.6 | G184 | G184-N186 PolarHBondContact O-N 3.14Š| ||
| 187 | E | 42.2 | Very low | 53.5 | Low | 183 Ų | 183 | 147.6 Ų | 147.6 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | -167.6 | 157.4 | 124.9 | -85.7 | -78.4 | 67 | 0 | 0 | 105.1 | |||||
| 188 | S | 45.2 | Very low | 52.2 | Low | 111 Ų | 111 | 141.3 Ų | 141.3 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | -76.2 | 144.1 | -170 | -53.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 189 | E | 41.6 | Very low | 51.2 | Low | 198 Ų | 198 | 136.5 Ų | 136.5 | 93% | 0.925 | 75% | 0.746 | S | S | * | * | -172.9 | 174.7 | 113 | -101.8 | -173.9 | 138.7 | 0 | 0 | 111.7 | |||||
| 190 | D | 44.9 | Very low | 50.7 | Low | 168 Ų | 168 | 130.5 Ų | 130.5 | 90% | 0.898 | 73% | 0.728 | S | S | * | * | trans | -75.7 | 150.4 | -170.7 | -166.4 | 17.1 | 0 | 0 | 0 | 113.3 | ||||
| 191 | G | 38.7 | Very low | 50.9 | Low | 61 Ų | 61 | 130 Ų | 130 | 63% | 0.629 | 72% | 0.715 | S | S | * | * | trans | 163.7 | 104.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q193 | G191-Q193 PolarHBondContact O-N 3.3Å; G191-Q193 VanDerWaalsContact O-N 3.14Å | ||
| 192 | E | 47.7 | Very low | 51.5 | Low | 199 Ų | 199 | 132.2 Ų | 132.2 | 93% | 0.93 | 72% | 0.716 | S | S | * | * | trans | -63 | 111.9 | 169.6 | -70 | -169 | 98.3 | 0 | 0 | 111.3 | ||||
| 193 | Q | 46.3 | Very low | 51.6 | Low | 190 Ų | 190 | 132 Ų | 132 | 89% | 0.888 | 72% | 0.715 | S | S | * | * | trans | -133 | 108.6 | 172.3 | -156.7 | 139.1 | 98.4 | 0 | 0 | 111.2 | G191 H195 | G191-Q193 PolarHBondContact O-N 3.3Å; G191-Q193 VanDerWaalsContact O-N 3.14Å; Q193-H195 PolarHBondContact O-N 2.78Å | ||
| 194 | T | 47.5 | Very low | 52.7 | Low | 120 Ų | 120 | 128.6 Ų | 128.6 | 74% | 0.736 | 71% | 0.705 | S | S | * | * | trans | -65 | 120.4 | -170 | 45.7 | 0 | 0 | 0 | 0 | 111.8 | I196 | T194-I196 VanDerWaalsContact C-N 3.26Å; T194-I196 PolarHBondContact O-N 3.15Å | ||
| 195 | H | 42.1 | Very low | 53.9 | Low | 152 Ų | 152 | 131.3 Ų | 131.3 | 70% | 0.704 | 70% | 0.701 | S | S | * | * | trans | -81 | 67.4 | -173.1 | -166.7 | -77.5 | 0 | 0 | 0 | 112.4 | K182 Q193 S197 | K182-H195 PolarHBondContact NZ-CD2 2.89Å; K182-H195 PolarHBondContact NZ-NE2 2.98Å; K182-H195 VanDerWaalsContact NZ-NE2 3.14Å; Q193-H195 PolarHBondContact O-N 2.78Å; H195-S197 PolarHBondContact O-N 3.13Å | ||
| 196 | I | 59.4 | Low | 54.8 | Low | 109 Ų | 109 | 130 Ų | 130 | 56% | 0.559 | 70% | 0.695 | S | S | * | * | trans | -57.2 | 120.2 | -179.5 | -59.5 | 177 | 0 | 0 | 0 | 110.2 | T194 A200 I201 | T194-I196 VanDerWaalsContact C-N 3.26Å; T194-I196 PolarHBondContact O-N 3.15Å; I196-A200 HydrophobicContact CG2-CB 3.69Å; I196-I201 HydrophobicContact CG2-CG1 3.87Å | ||
| 197 | S | 62 | Low | 55.4 | Low | 58 Ų | 58 | 130.4 Ų | 130.4 | 41% | 0.406 | 69% | 0.692 | S | S | . | * | trans | -75.1 | 156.4 | 179 | 78.4 | 0 | 0 | 0 | 0 | 112.1 | H195 N199 A200 I201 | H195-S197 PolarHBondContact O-N 3.13Å; S197-N199 PolarHBondContact O-N 3.44Å; S197-N199 VanDerWaalsContact O-N 3.11Å; S197-A200 WeakPolarHBondContact O-CB 3.38Å; S197-A200 PolarHBondContact O-N 2.73Å; S197-I201 PolarHBondContact O-N 3.14Å | ||
| 198 | P | 59.8 | Low | 55.7 | Low | 103 Ų | 103 | 125.7 Ų | 125.7 | 67% | 0.669 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -54.6 | -32.5 | 176.8 | -27.9 | 36.1 | 0 | 0 | 0 | 114.2 | A200 I201 F202 | P198-A200 VanDerWaalsContact C-N 3.31Å; P198-A200 PolarHBondContact O-N 3.28Å; P198-I201 PolarHBondContact O-N 3.23Å; P198-F202 PolarHBondContact O-N 3.1Å; P198-F202 VanDerWaalsContact O-N 3.08Å |
| 199 | N | 59.5 | Low | 55.7 | Low | 127 Ų | 127 | 127 Ų | 127 | 68% | 0.679 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -69.5 | -27.5 | 177 | -71.3 | 14.7 | 0 | 0 | 0 | 112.9 | S197 K203 | S197-N199 PolarHBondContact O-N 3.44Å; S197-N199 VanDerWaalsContact O-N 3.11Å; N199-K203 PolarHBondContact O-N 3.13Å; N199-K203 VanDerWaalsContact O-N 3.11Å |
| 200 | A | 66.4 | Low | 55.6 | Low | 42 Ų | 42 | 123 Ų | 123 | 35% | 0.347 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -75.5 | -37.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I196 S197 P198 F202 K203 A204 | I196-A200 HydrophobicContact CG2-CB 3.69Å; S197-A200 WeakPolarHBondContact O-CB 3.38Å; S197-A200 PolarHBondContact O-N 2.73Å; P198-A200 VanDerWaalsContact C-N 3.31Å; P198-A200 PolarHBondContact O-N 3.28Å; A200-F202 VanDerWaalsContact C-N 3.34Å; A200-K203 PolarHBondContact O-N 2.92Å; A200-A204 WeakPolarHBondContact O-CB 3.36Å; A200-A204 PolarHBondContact O-N 2.92Å |
| 201 | I | 70.2 | Confident | 55.8 | Low | 109 Ų | 109 | 121.4 Ų | 121.4 | 56% | 0.559 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -60.8 | -45.1 | 171.7 | -57.6 | 175.7 | 0 | 0 | 0 | 110.3 | I196 S197 P198 K203 A204 L205 | I196-I201 HydrophobicContact CG2-CG1 3.87Å; S197-I201 PolarHBondContact O-N 3.14Å; P198-I201 PolarHBondContact O-N 3.23Å; I201-K203 VanDerWaalsContact C-N 3.35Å; I201-K203 PolarHBondContact O-N 3.03Å; I201-A204 PolarHBondContact O-N 3.49Å; I201-L205 PolarHBondContact O-N 3.23Å; I201-L205 VanDerWaalsContact O-N 3.08Å |
| 202 | F | 69.8 | Low | 55.6 | Low | 151 Ų | 151 | 123.4 Ų | 123.4 | 66% | 0.662 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -61.8 | -39.6 | 177.2 | -169.2 | -95.3 | 0 | 0 | 0 | 112.7 | P198 A200 Q206 | P198-F202 PolarHBondContact O-N 3.1Å; P198-F202 VanDerWaalsContact O-N 3.08Å; A200-F202 VanDerWaalsContact C-N 3.34Å; F202-Q206 PolarHBondContact O-N 3Å |
| 203 | K | 64.4 | Low | 54.9 | Low | 156 Ų | 156 | 120 Ų | 120 | 68% | 0.678 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -69.1 | -40 | 174.6 | -80.5 | -164.9 | 171 | -164.9 | 0 | 113.4 | N199 A200 I201 Q206 Q207 | N199-K203 PolarHBondContact O-N 3.13Å; N199-K203 VanDerWaalsContact O-N 3.11Å; A200-K203 PolarHBondContact O-N 2.92Å; I201-K203 VanDerWaalsContact C-N 3.35Å; I201-K203 PolarHBondContact O-N 3.03Å; K203-Q206 PolarHBondContact O-N 3.14Å; K203-Q207 PolarHBondContact O-N 3.34Å |
| 204 | A | 65.5 | Low | 54.3 | Low | 57 Ų | 57 | 116.6 Ų | 116.6 | 47% | 0.471 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -64 | -43.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A200 I201 Q206 Q207 A208 | A200-A204 WeakPolarHBondContact O-CB 3.36Å; A200-A204 PolarHBondContact O-N 2.92Å; I201-A204 PolarHBondContact O-N 3.49Å; A204-Q206 VanDerWaalsContact C-N 3.26Å; A204-Q206 PolarHBondContact O-N 3.29Å; A204-Q207 PolarHBondContact O-N 2.91Å; A204-Q207 VanDerWaalsContact O-N 3.1Å; A204-A208 PolarHBondContact O-N 3.32Å |
| 205 | L | 68.6 | Low | 53.9 | Low | 133 Ų | 133 | 119.8 Ų | 119.8 | 70% | 0.696 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -62.2 | -34.6 | 177.6 | -172.8 | 61.8 | 0 | 0 | 0 | 112.3 | I201 Q207 A208 | I201-L205 PolarHBondContact O-N 3.23Å; I201-L205 VanDerWaalsContact O-N 3.08Å; L205-Q207 PolarHBondContact O-N 2.71Å; L205-A208 PolarHBondContact O-N 3.19Å |
| 206 | Q | 63.8 | Low | 53.6 | Low | 146 Ų | 146 | 116 Ų | 116 | 68% | 0.682 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -71.8 | -15.5 | 177.8 | -167.3 | 60.2 | 88.4 | 0 | 0 | 113.8 | F202 K203 A204 | F202-Q206 PolarHBondContact O-N 3Å; K203-Q206 PolarHBondContact O-N 3.14Å; A204-Q206 VanDerWaalsContact C-N 3.26Å; A204-Q206 PolarHBondContact O-N 3.29Å |
| 207 | Q | 58.7 | Low | 52.4 | Low | 166 Ų | 166 | 120.1 Ų | 120.1 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -5.9 | 178.8 | -70.3 | 178.7 | -30.1 | 0 | 0 | 113.6 | K203 A204 L205 | K203-Q207 PolarHBondContact O-N 3.34Å; A204-Q207 PolarHBondContact O-N 2.91Å; A204-Q207 VanDerWaalsContact O-N 3.1Å; L205-Q207 PolarHBondContact O-N 2.71Å |
| 208 | A | 48.7 | Very low | 51.4 | Low | 84 Ų | 84 | 122.7 Ų | 122.7 | 69% | 0.694 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -87.7 | -4.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | A204 L205 | A204-A208 PolarHBondContact O-N 3.32Å; L205-A208 PolarHBondContact O-N 3.19Å |
| 209 | D | 44 | Very low | 50.1 | Low | 138 Ų | 138 | 126 Ų | 126 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -122.5 | 69.9 | -170 | -166.4 | 23.4 | 0 | 0 | 0 | 112.6 | ||
| 210 | S | 40.3 | Very low | 48.8 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 80% | 0.797 | 73% | 0.732 | S | S | * | * | trans | -165.2 | 119 | 164.1 | -78.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 211 | P | 48 | Very low | 48.3 | Very low | 134 Ų | 134 | 129.7 Ų | 129.7 | 87% | 0.87 | 76% | 0.758 | S | S | * | * | trans | -95.3 | 128.4 | -175.4 | 34.3 | -32.6 | 0 | 0 | 0 | 113.7 | ||||
| 212 | A | 34.2 | Very low | 46.4 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | -152.9 | 143.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 213 | S | 33.4 | Very low | 44.4 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 88% | 0.881 | 78% | 0.777 | S | S | * | * | trans | -90.3 | 151 | -173.7 | -44.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 214 | S | 34.9 | Very low | 43.2 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | -175.8 | 162.8 | 119 | -161.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 215 | M | 39.4 | Very low | 41.9 | Very low | 186 Ų | 186 | 134.6 Ų | 134.6 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | -88.3 | 162 | 168.9 | -57.4 | -174.5 | -67.8 | 0 | 0 | 110.9 | ||||
| 216 | G | 34.5 | Very low | 40.2 | Very low | 72 Ų | 72 | 132 Ų | 132 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | trans | 164.8 | 71 | 165.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 217 | E | 33.8 | Very low | 39 | Very low | 197 Ų | 197 | 134.4 Ų | 134.4 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | trans | 61.8 | -176.3 | 140.6 | -129.4 | 162.6 | 120.2 | 0 | 0 | 121.1 | ||||
| 218 | V | 41.7 | Very low | 37.9 | Very low | 112 Ų | 112 | 131 Ų | 131 | 68% | 0.679 | 82% | 0.819 | S | S | * | * | trans | -134.4 | 142.6 | -162 | 175.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 219 | H | 32.2 | Very low | 37.5 | Very low | 173 Ų | 173 | 135.6 Ų | 135.6 | 80% | 0.801 | 83% | 0.826 | S | S | * | * | trans | 171.7 | 167 | 134.4 | -89.7 | 113.7 | 0 | 0 | 0 | 112.8 | ||||
| 220 | S | 32.5 | Very low | 37.5 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -157 | 167.4 | 169.1 | -67.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 221 | P | 55 | Low | 37.5 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | cis | -120.7 | -175.6 | -6.4 | 40.4 | -26.3 | 0 | 0 | 0 | 112.7 | ||||
| 222 | G | 30.6 | Very low | 37.4 | Very low | 77 Ų | 77 | 132.1 Ų | 132.1 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | -170 | 134.1 | 170 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 223 | E | 29.4 | Very low | 38.2 | Very low | 178 Ų | 178 | 133.1 Ų | 133.1 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -79.8 | 156.4 | -174.4 | -54.9 | 178.7 | 111.7 | 0 | 0 | 113.3 | ||||
| 224 | H | 37.9 | Very low | 38.7 | Very low | 194 Ų | 194 | 133 Ų | 133 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | -173.2 | 161.1 | 124.8 | -91.3 | -40.3 | 0 | 0 | 0 | 112.6 | |||||
| 225 | S | 38.1 | Very low | 39.4 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | trans | -84.9 | 149.7 | -163.7 | -45.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 226 | G | 33.5 | Very low | 39.3 | Very low | 79 Ų | 79 | 130.7 Ų | 130.7 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | trans | -169.2 | 127.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 227 | Q | 38.4 | Very low | 39.7 | Very low | 195 Ų | 195 | 133.3 Ų | 133.3 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | trans | -79.6 | 157.1 | -174.4 | -74.1 | 171.3 | -30 | 0 | 0 | 114.1 | ||||
| 228 | S | 35.8 | Very low | 40.2 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 67% | 0.671 | 80% | 0.799 | S | S | * | * | trans | -36.5 | 146.5 | 165.4 | 56.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 229 | Q | 40.3 | Very low | 39.8 | Very low | 180 Ų | 180 | 133.5 Ų | 133.5 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | -170.4 | 170.5 | 105.2 | -95.8 | -51.1 | -27.3 | 0 | 0 | 112.2 | |||||
| 230 | G | 43.3 | Very low | 39.8 | Very low | 55 Ų | 55 | 131.1 Ų | 131.1 | 57% | 0.567 | 80% | 0.804 | S | S | * | * | trans | -74.8 | 176.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 231 | P | 41.4 | Very low | 39.7 | Very low | 127 Ų | 127 | 132.8 Ų | 132.8 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 138.1 | -172.9 | 29.5 | -35.6 | 0 | 0 | 0 | 113.2 | ||
| 232 | P | 46 | Very low | 38.9 | Very low | 130 Ų | 130 | 134 Ų | 134 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 148.5 | 177.1 | 30.4 | -34.6 | 0 | 0 | 0 | 112.9 | ||
| 233 | T | 50.3 | Low | 39.3 | Very low | 126 Ų | 126 | 136 Ų | 136 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 149.7 | 176.6 | 47.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 234 | P | 43.7 | Very low | 39.4 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 137.2 | 173.1 | 29.7 | -34.7 | 0 | 0 | 0 | 111.6 | ||
| 235 | P | 49.1 | Very low | 39.1 | Very low | 127 Ų | 127 | 129.5 Ų | 129.5 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 166.5 | -179.2 | 33.8 | -35.9 | 0 | 0 | 0 | 114.4 | ||
| 236 | T | 38 | Very low | 39 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 150.3 | -178 | -45.1 | 0 | 0 | 0 | 0 | 116.1 | ||
| 237 | T | 43.8 | Very low | 39.1 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 144 | 169 | 53.8 | 0 | 0 | 0 | 0 | 114.4 | ||
| 238 | P | 43 | Very low | 38.8 | Very low | 122 Ų | 122 | 132 Ų | 132 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 152 | 145.6 | 34.4 | -28.7 | 0 | 0 | 0 | 111.7 | ||
| 239 | K | 34.1 | Very low | 39 | Very low | 192 Ų | 192 | 135.3 Ų | 135.3 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -105.1 | 167.8 | 163.8 | -88.9 | -174.4 | 171.9 | -176.7 | 0 | 108.9 | ||||
| 240 | T | 32.3 | Very low | 38.8 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | 76.5 | 135.9 | 164.9 | -43.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 241 | D | 30.6 | Very low | 38.4 | Very low | 146 Ų | 146 | 142 Ų | 142 | 78% | 0.781 | 81% | 0.808 | S | S | * | * | cis | -134.2 | 170 | 34.4 | -113.5 | -51.5 | 0 | 0 | 0 | 116.3 | ||||
| 242 | L | 36.9 | Very low | 37.9 | Very low | 160 Ų | 160 | 143.4 Ų | 143.4 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -94.1 | 145.5 | 162.5 | -89.3 | 158.9 | 0 | 0 | 0 | 110.1 | ||||
| 243 | P | 38.5 | Very low | 37.3 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | trans | -125.3 | 133.5 | 141.7 | 34.7 | -26.9 | 0 | 0 | 0 | 112.4 | ||||
| 244 | S | 31.9 | Very low | 36.6 | Very low | 118 Ų | 118 | 146.7 Ų | 146.7 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -89.6 | 133.5 | 169.3 | 177.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 245 | S | 31.2 | Very low | 36.7 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -158.9 | 140.8 | 166.3 | -80.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 246 | K | 37.1 | Very low | 35.9 | Very low | 212 Ų | 212 | 148 Ų | 148 | 92% | 0.922 | 81% | 0.808 | S | S | * | * | trans | -85.8 | 146.2 | 175.5 | -58.6 | 176.9 | -178.9 | 179.2 | 0 | 110.3 | ||||
| 247 | A | 35.8 | Very low | 35.6 | Very low | 105 Ų | 105 | 148.5 Ų | 148.5 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | trans | -152.4 | 130 | 141.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 248 | D | 32 | Very low | 35.1 | Very low | 138 Ų | 138 | 150.8 Ų | 150.8 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | trans | -85.1 | 140.6 | 168.3 | -165.4 | -52.1 | 0 | 0 | 0 | 108.1 | ||||
| 249 | L | 39.3 | Very low | 34.6 | Very low | 164 Ų | 164 | 148.3 Ų | 148.3 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | trans | -170.2 | 144.4 | 136.5 | -123.7 | 65.9 | 0 | 0 | 0 | 114.2 | ||||
| 250 | K | 35.9 | Very low | 34.5 | Very low | 182 Ų | 182 | 144.9 Ų | 144.9 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -49.9 | 163.3 | 168.6 | -57 | 160.5 | 178.7 | 171.4 | 0 | 112 | ||||
| 251 | R | 35.7 | Very low | 35.2 | Very low | 195 Ų | 195 | 145 Ų | 145 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | cis | -177.3 | 143.2 | 46.8 | -163.9 | 168.4 | -177.4 | -165.6 | -13.7 | 114.4 | ||||
| 252 | E | 31.2 | Very low | 35.7 | Very low | 156 Ų | 156 | 149 Ų | 149 | 73% | 0.729 | 81% | 0.81 | S | S | * | * | trans | 49.8 | 151.1 | 152.2 | -71.4 | 157.3 | -158 | 0 | 0 | 123.2 | ||||
| 253 | G | 31.8 | Very low | 36.1 | Very low | 81 Ų | 81 | 150.2 Ų | 150.2 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | 120 | 103.2 | 150.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 254 | R | 35.5 | Very low | 36.6 | Very low | 243 Ų | 243 | 152.1 Ų | 152.1 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | trans | -105 | 179 | 158.5 | -72.3 | -163.4 | -165.9 | -130.3 | 15.4 | 109 | ||||
| 255 | P | 47 | Very low | 37.4 | Very low | 112 Ų | 112 | 153.7 Ų | 153.7 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | -132 | 167.7 | -52.4 | 37.7 | -23.2 | 0 | 0 | 0 | 112.6 | |||||
| 256 | I | 32.8 | Very low | 38.8 | Very low | 164 Ų | 164 | 153.9 Ų | 153.9 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | trans | -169.3 | 155.9 | 160.5 | -109 | 154.6 | 0 | 0 | 0 | 108 | ||||
| 257 | Q | 31.6 | Very low | 40.1 | Very low | 144 Ų | 144 | 149.8 Ų | 149.8 | 67% | 0.673 | 79% | 0.792 | S | S | * | * | cis | -168.7 | 140.3 | -39.3 | 168.6 | 167 | -28.4 | 0 | 0 | 106.5 | ||||
| 258 | E | 32.1 | Very low | 41.4 | Very low | 174 Ų | 174 | 152 Ų | 152 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | 60.4 | 152.7 | 168.2 | -77.8 | 174.7 | 95.6 | 0 | 0 | 120.8 | ||||
| 259 | G | 32.5 | Very low | 43.2 | Very low | 70 Ų | 70 | 149 Ų | 149 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | 124.2 | 31.4 | 126.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 260 | S | 33.1 | Very low | 44.3 | Very low | 119 Ų | 119 | 145.6 Ų | 145.6 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -174.8 | 138 | 144.1 | -92.6 | 0 | 0 | 0 | 0 | 117 | R262 | S260-R262 PolarHBondContact O-N 3.06Š| ||
| 261 | S | 46.8 | Very low | 45.9 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | trans | -54.2 | 115.7 | 166.1 | -49.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 262 | R | 41.2 | Very low | 47 | Very low | 232 Ų | 232 | 137 Ų | 137 | 88% | 0.875 | 76% | 0.759 | S | S | * | * | trans | -132.5 | 152.7 | 155.3 | -69.8 | -165.7 | 176.5 | -137 | -2.6 | 109.4 | S260 L264 | S260-R262 PolarHBondContact O-N 3.06Å; R262-L264 PolarHBondContact O-N 2.94Å | ||
| 263 | Q | 44.7 | Very low | 48.6 | Very low | 184 Ų | 184 | 135.8 Ų | 135.8 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | -62.2 | 122.6 | -172.9 | -67 | 160.1 | -91.3 | 0 | 0 | 110.5 | N265 | Q263-N265 PolarHBondContact O-N 3.27Š| ||
| 264 | L | 48.5 | Very low | 50.3 | Low | 160 Ų | 160 | 135.4 Ų | 135.4 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | trans | -73.3 | 104 | 163.1 | -62.1 | 179.7 | 0 | 0 | 0 | 107.5 | R262 I266 | R262-L264 PolarHBondContact O-N 2.94Å; L264-I266 PolarHBondContact O-N 2.92Å; L264-I266 VanDerWaalsContact O-N 3.13Å | ||
| 265 | N | 48.8 | Very low | 51.5 | Low | 152 Ų | 152 | 132.1 Ų | 132.1 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | trans | -66.4 | 106.3 | 158.4 | -76.3 | 0.5 | 0 | 0 | 0 | 106.1 | Q263 D267 | Q263-N265 PolarHBondContact O-N 3.27Å; N265-D267 PolarHBondContact O-N 3.45Å; N265-D267 VanDerWaalsContact O-N 3.15Å | ||
| 266 | I | 62 | Low | 52.4 | Low | 121 Ų | 121 | 130.3 Ų | 130.3 | 62% | 0.621 | 73% | 0.731 | S | S | * | * | trans | -69.8 | 111 | 178.4 | -57.4 | 173.6 | 0 | 0 | 0 | 107.3 | L264 F268 | L264-I266 PolarHBondContact O-N 2.92Å; L264-I266 VanDerWaalsContact O-N 3.13Å; I266-F268 HydrophobicContact CB-CD2 4.49Å; I266-F268 HydrophobicContact CB-CE2 3.86Å; I266-F268 HydrophobicContact CB-CZ 4.16Å; I266-F268 HydrophobicContact CG2-CD1 4.42Å; I266-F268 HydrophobicContact CG2-CD2 4.06Å; I266-F268 HydrophobicContact CG2-CE1 4.01Å; I266-F268 HydrophobicContact CG2-CE2 3.6Å; I266-F268 HydrophobicContact CG2-CG 4.46Å; I266-F268 HydrophobicContact CG2-CZ 3.58Å; I266-F268 WeakPolarHBondContact O-CD2 3.5Å | ||
| 267 | D | 64.8 | Low | 53.6 | Low | 126 Ų | 126 | 125.1 Ų | 125.1 | 67% | 0.674 | 71% | 0.709 | S | S | * | * | trans | -84.1 | 114.8 | 171.7 | -172.9 | -0.8 | 0 | 0 | 0 | 109 | N265 G269 | N265-D267 PolarHBondContact O-N 3.45Å; N265-D267 VanDerWaalsContact O-N 3.15Å; D267-G269 PolarHBondContact OD1-N 3.27Å | ||
| 268 | F | 62.5 | Low | 55 | Low | 152 Ų | 152 | 122 Ų | 122 | 67% | 0.667 | 70% | 0.703 | S | S | * | * | trans | -86.9 | -6.4 | 178.9 | -69.1 | -87.9 | 0 | 0 | 0 | 112.8 | I266 A270 V271 | I266-F268 HydrophobicContact CB-CD2 4.49Å; I266-F268 HydrophobicContact CB-CE2 3.86Å; I266-F268 HydrophobicContact CB-CZ 4.16Å; I266-F268 HydrophobicContact CG2-CD1 4.42Å; I266-F268 HydrophobicContact CG2-CD2 4.06Å; I266-F268 HydrophobicContact CG2-CE1 4.01Å; I266-F268 HydrophobicContact CG2-CE2 3.6Å; I266-F268 HydrophobicContact CG2-CG 4.46Å; I266-F268 HydrophobicContact CG2-CZ 3.58Å; I266-F268 WeakPolarHBondContact O-CD2 3.5Å; F268-A270 PolarHBondContact O-N 3.19Å; F268-A270 VanDerWaalsContact O-N 3.16Å; F268-V271 HydrophobicContact CD1-CG2 4.3Å; F268-V271 PolarHBondContact O-N 3.34Å | ||
| 269 | G | 68.6 | Low | 56.2 | Low | 75 Ų | 75 | 119.1 Ų | 119.1 | 77% | 0.773 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -11.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | D267 | D267-G269 PolarHBondContact OD1-N 3.27Š|
| 270 | A | 63.4 | Low | 57.7 | Low | 91 Ų | 91 | 119.9 Ų | 119.9 | 75% | 0.752 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.4 | 13.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | F268 D272 | F268-A270 PolarHBondContact O-N 3.19Å; F268-A270 VanDerWaalsContact O-N 3.16Å; A270-D272 PolarHBondContact O-N 3.36Å |
| 271 | V | 68.8 | Low | 59.1 | Low | 79 Ų | 79 | 119 Ų | 119 | 48% | 0.479 | 67% | 0.668 | S | S | . | * | trans | -85.8 | 103.3 | 175.8 | 178.7 | 0 | 0 | 0 | 0 | 109 | F268 I273 | F268-V271 HydrophobicContact CD1-CG2 4.3Å; F268-V271 PolarHBondContact O-N 3.34Å; V271-I273 PolarHBondContact O-N 3.14Å | ||
| 272 | D | 60.3 | Low | 59.8 | Low | 117 Ų | 117 | 117.7 Ų | 117.7 | 63% | 0.626 | 66% | 0.66 | S | S | * | * | trans | -73.7 | 108.4 | 172.5 | -164.2 | -21.7 | 0 | 0 | 0 | 110.1 | A270 G274 E275 | A270-D272 PolarHBondContact O-N 3.36Å; D272-G274 PolarHBondContact O-N 3.27Å; D272-G274 WeakPolarHBondContact OD1-CA 3.31Å; D272-G274 PolarHBondContact OD1-N 3.23Å; D272-E275 PolarHBondContact O-N 2.7Å; D272-E275 VanDerWaalsContact O-N 3.16Å | ||
| 273 | I | 64.5 | Low | 60.6 | Low | 132 Ų | 132 | 113.5 Ų | 113.5 | 68% | 0.677 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -65.1 | -21.2 | 179.6 | -60.5 | 174.1 | 0 | 0 | 0 | 110.8 | V271 E275 L276 | V271-I273 PolarHBondContact O-N 3.14Å; I273-E275 VanDerWaalsContact C-N 3.35Å; I273-L276 HydrophobicContact CG2-CD1 4.1Å |
| 274 | G | 66.6 | Low | 61.5 | Low | 72 Ų | 72 | 110.1 Ų | 110.1 | 74% | 0.742 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -74.2 | -16.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | D272 | D272-G274 PolarHBondContact O-N 3.27Å; D272-G274 WeakPolarHBondContact OD1-CA 3.31Å; D272-G274 PolarHBondContact OD1-N 3.23Å |
| 275 | E | 61.9 | Low | 61.8 | Low | 175 Ų | 175 | 105.2 Ų | 105.2 | 82% | 0.818 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -94.9 | 3 | 178.8 | -151.6 | 179.5 | -149.3 | 0 | 0 | 113 | D272 I273 S277 | D272-E275 PolarHBondContact O-N 2.7Å; D272-E275 VanDerWaalsContact O-N 3.16Å; I273-E275 VanDerWaalsContact C-N 3.35Å; E275-S277 PolarHBondContact O-N 2.66Å |
| 276 | L | 64.9 | Low | 62.1 | Low | 74 Ų | 74 | 104.2 Ų | 104.2 | 39% | 0.387 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -67.9 | 118.6 | 174.6 | -64.3 | 176.6 | 0 | 0 | 0 | 110.6 | I273 I281 | I273-L276 HydrophobicContact CG2-CD1 4.1Å; L276-I281 HydrophobicContact CB-CD1 4.14Å; L276-I281 HydrophobicContact CB-CG1 4.11Å; L276-I281 WeakPolarHBondContact O-CD1 3.46Å |
| 277 | S | 59 | Low | 61.5 | Low | 55 Ų | 55 | 105.3 Ų | 105.3 | 39% | 0.385 | 64% | 0.635 | S | S | . | * | trans | -53.9 | 145.2 | 176.5 | -171.6 | 0 | 0 | 0 | 0 | 111.5 | E275 D279 V280 I281 | E275-S277 PolarHBondContact O-N 2.66Å; S277-D279 PolarHBondContact O-N 2.62Å; S277-D279 PolarHBondContact OG-OD2 3.29Å; S277-V280 PolarHBondContact O-N 3.19Å; S277-I281 PolarHBondContact O-N 3.4Å | ||
| 278 | S | 59.5 | Low | 61.4 | Low | 78 Ų | 78 | 103.8 Ų | 103.8 | 55% | 0.545 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -49.7 | -29.4 | 172.3 | 46.7 | 0 | 0 | 0 | 0 | 112.9 | S282 | S278-S282 VanDerWaalsContact O-CB 3.22Å; S278-S282 WeakPolarHBondContact O-CB 3.24Å; S278-S282 PolarHBondContact O-N 3.38Å; S278-S282 PolarHBondContact O-OG 3.17Å |
| 279 | D | 57.4 | Low | 61.3 | Low | 113 Ų | 113 | 101.3 Ų | 101.3 | 60% | 0.604 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.5 | -36.9 | 179.3 | -37.3 | -57.2 | 0 | 0 | 0 | 112.1 | S277 N283 | S277-D279 PolarHBondContact O-N 2.62Å; S277-D279 PolarHBondContact OG-OD2 3.29Å; D279-N283 WeakPolarHBondContact O-CB 3.37Å; D279-N283 PolarHBondContact O-N 3.03Å |
| 280 | V | 63.9 | Low | 60.9 | Low | 87 Ų | 87 | 104 Ų | 104 | 53% | 0.527 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -71.3 | -42.1 | 175.9 | 179.3 | 0 | 0 | 0 | 0 | 109.8 | S277 S282 N283 I284 | S277-V280 PolarHBondContact O-N 3.19Å; V280-S282 VanDerWaalsContact C-N 3.31Å; V280-S282 PolarHBondContact O-N 3.24Å; V280-N283 PolarHBondContact O-N 3.2Å; V280-I284 PolarHBondContact O-N 3.49Å; V280-I284 VanDerWaalsContact O-N 3.11Å |
| 281 | I | 62.9 | Low | 61.3 | Low | 99 Ų | 99 | 104.3 Ų | 104.3 | 51% | 0.508 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67 | -32.6 | 176.4 | -59.3 | 172 | 0 | 0 | 0 | 111.2 | L276 S277 I284 | L276-I281 HydrophobicContact CB-CD1 4.14Å; L276-I281 HydrophobicContact CB-CG1 4.11Å; L276-I281 WeakPolarHBondContact O-CD1 3.46Å; S277-I281 PolarHBondContact O-N 3.4Å; I281-I284 WeakPolarHBondContact O-CG2 3.35Å |
| 282 | S | 60.7 | Low | 60.7 | Low | 98 Ų | 98 | 106.1 Ų | 106.1 | 69% | 0.685 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -81.9 | -23.7 | 177.1 | -56.3 | 0 | 0 | 0 | 0 | 113.4 | S278 V280 | S278-S282 VanDerWaalsContact O-CB 3.22Å; S278-S282 WeakPolarHBondContact O-CB 3.24Å; S278-S282 PolarHBondContact O-N 3.38Å; S278-S282 PolarHBondContact O-OG 3.17Å; V280-S282 VanDerWaalsContact C-N 3.31Å; V280-S282 PolarHBondContact O-N 3.24Å |
| 283 | N | 58.2 | Low | 60.9 | Low | 144 Ų | 144 | 104.9 Ų | 104.9 | 77% | 0.77 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -92.2 | -6.5 | 178.2 | -166.6 | 81.6 | 0 | 0 | 0 | 113 | D279 V280 G285 | D279-N283 WeakPolarHBondContact O-CB 3.37Å; D279-N283 PolarHBondContact O-N 3.03Å; V280-N283 PolarHBondContact O-N 3.2Å; N283-G285 PolarHBondContact O-N 3.14Å |
| 284 | I | 65 | Low | 61.2 | Low | 112 Ų | 112 | 106 Ų | 106 | 57% | 0.574 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -77 | 109.5 | 159.9 | -142.6 | 170.9 | 0 | 0 | 0 | 107.1 | V280 I281 | V280-I284 PolarHBondContact O-N 3.49Å; V280-I284 VanDerWaalsContact O-N 3.11Å; I281-I284 WeakPolarHBondContact O-CG2 3.35Å |
| 285 | G | 54.9 | Low | 60.7 | Low | 58 Ų | 58 | 110.9 Ų | 110.9 | 60% | 0.598 | 60% | 0.601 | S | S | * | * | trans | -59.7 | 152.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N283 F287 | N283-G285 PolarHBondContact O-N 3.14Å; G285-F287 PolarHBondContact O-N 3.31Å | ||
| 286 | S | 54.7 | Low | 61.2 | Low | 130 Ų | 130 | 106 Ų | 106 | 91% | 0.909 | 58% | 0.58 | S | S | * | * | trans | -37.1 | 107.4 | -176.5 | -58.6 | 0 | 0 | 0 | 0 | 112.7 | D288 | S286-D288 PolarHBondContact O-N 2.91Š| ||
| 287 | F | 49.8 | Very low | 60.8 | Low | 144 Ų | 144 | 106.9 Ų | 106.9 | 63% | 0.632 | 59% | 0.591 | S | S | * | * | trans | -68.3 | 115.5 | -176.5 | -138.7 | -90.7 | 0 | 0 | 0 | 108.8 | G285 V289 | G285-F287 PolarHBondContact O-N 3.31Å; F287-V289 PolarHBondContact O-N 3.08Å; F287-V289 VanDerWaalsContact O-N 3.14Å | ||
| 288 | D | 62.1 | Low | 60.6 | Low | 94 Ų | 94 | 110.1 Ų | 110.1 | 50% | 0.503 | 61% | 0.61 | S | S | . | * | trans | -74.4 | 105.3 | 177.7 | -165.3 | -17.8 | 0 | 0 | 0 | 108.8 | S286 D290 E291 F292 | S286-D288 PolarHBondContact O-N 2.91Å; D288-D290 PolarHBondContact O-N 3.08Å; D288-D290 PolarHBondContact OD1-N 3.11Å; D288-D290 VanDerWaalsContact OD1-N 3.16Å; D288-E291 HydrophobicContact CB-CB 4.19Å; D288-E291 PolarHBondContact O-N 3.31Å; D288-F292 PolarHBondContact O-N 3.39Å | ||
| 289 | V | 61.2 | Low | 59.9 | Low | 100 Ų | 100 | 114.5 Ų | 114.5 | 61% | 0.606 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.9 | -31.3 | -177.1 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | F287 E291 F292 D293 | F287-V289 PolarHBondContact O-N 3.08Å; F287-V289 VanDerWaalsContact O-N 3.14Å; V289-E291 VanDerWaalsContact C-N 3.35Å; V289-E291 PolarHBondContact O-N 3.44Å; V289-F292 PolarHBondContact O-N 3.45Å; V289-D293 PolarHBondContact O-N 3.42Å |
| 290 | D | 58.8 | Low | 59.5 | Low | 132 Ų | 132 | 112.7 Ų | 112.7 | 71% | 0.706 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -72.6 | -25.2 | 178.3 | -65.4 | -42.8 | 0 | 0 | 0 | 112.2 | D288 | D288-D290 PolarHBondContact O-N 3.08Å; D288-D290 PolarHBondContact OD1-N 3.11Å; D288-D290 VanDerWaalsContact OD1-N 3.16Å |
| 291 | E | 71.5 | Confident | 58.9 | Low | 97 Ų | 97 | 116.5 Ų | 116.5 | 45% | 0.453 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -72.9 | -29.2 | 170 | -172.5 | 169.2 | -156 | 0 | 0 | 111.4 | D288 V289 Y295 | D288-E291 HydrophobicContact CB-CB 4.19Å; D288-E291 PolarHBondContact O-N 3.31Å; V289-E291 VanDerWaalsContact C-N 3.35Å; V289-E291 PolarHBondContact O-N 3.44Å; E291-Y295 HydrophobicContact CG-CE2 4.2Å; E291-Y295 WeakPolarHBondContact O-CD2 3.29Å; E291-Y295 WeakPolarHBondContact O-CE2 3.34Å |
| 292 | F | 57.3 | Low | 57.6 | Low | 118 Ų | 118 | 116.3 Ų | 116.3 | 52% | 0.518 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -74.8 | -45.9 | -179.9 | -172.6 | -100.2 | 0 | 0 | 0 | 113 | D288 V289 Q294 Y295 L296 | D288-F292 PolarHBondContact O-N 3.39Å; V289-F292 PolarHBondContact O-N 3.45Å; F292-Q294 PolarHBondContact O-N 3.29Å; F292-Y295 PolarHBondContact O-N 3.11Å; F292-L296 HydrophobicContact CE1-CD2 4.45Å |
| 293 | D | 65.1 | Low | 56.6 | Low | 90 Ų | 90 | 115 Ų | 115 | 48% | 0.481 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -61.4 | -27.7 | 179.2 | -91.3 | 7.3 | 0 | 0 | 0 | 112.4 | V289 Y295 L296 | V289-D293 PolarHBondContact O-N 3.42Å; D293-Y295 PolarHBondContact O-N 3.33Å; D293-Y295 VanDerWaalsContact O-N 3.14Å; D293-L296 PolarHBondContact O-N 3.32Å; D293-L296 VanDerWaalsContact O-N 3.1Å; D293-L296 WeakPolarHBondContact OD1-CD1 3.5Å |
| 294 | Q | 69.3 | Low | 55.4 | Low | 157 Ų | 157 | 115.3 Ų | 115.3 | 73% | 0.734 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -16.1 | 174.7 | -174.2 | 162.8 | 74.9 | 0 | 0 | 113.9 | F292 | F292-Q294 PolarHBondContact O-N 3.29Š|
| 295 | Y | 57.3 | Low | 53.9 | Low | 173 Ų | 173 | 116.9 Ų | 116.9 | 68% | 0.678 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -1.5 | 175.7 | -68.1 | -71.2 | 0 | 0 | 0 | 114.5 | E291 F292 D293 | E291-Y295 HydrophobicContact CG-CE2 4.2Å; E291-Y295 WeakPolarHBondContact O-CD2 3.29Å; E291-Y295 WeakPolarHBondContact O-CE2 3.34Å; F292-Y295 PolarHBondContact O-N 3.11Å; D293-Y295 PolarHBondContact O-N 3.33Å; D293-Y295 VanDerWaalsContact O-N 3.14Å |
| 296 | L | 71.5 | Confident | 52.9 | Low | 72 Ų | 72 | 117.6 Ų | 117.6 | 38% | 0.377 | 67% | 0.673 | S | S | . | * | S | Bend | trans | -77.6 | 137.9 | 175.8 | -62.6 | 179.6 | 0 | 0 | 0 | 111.4 | F292 D293 | F292-L296 HydrophobicContact CE1-CD2 4.45Å; D293-L296 PolarHBondContact O-N 3.32Å; D293-L296 VanDerWaalsContact O-N 3.1Å; D293-L296 WeakPolarHBondContact OD1-CD1 3.5Å |
| 297 | P | 56.5 | Low | 51.8 | Low | 94 Ų | 94 | 116.4 Ų | 116.4 | 61% | 0.61 | 67% | 0.671 | S | S | * | * | trans | -67.6 | 140.1 | 175.7 | 28.1 | -33.7 | 0 | 0 | 0 | 110.4 | H299 | P297-H299 PolarHBondContact O-N 2.86Š| ||
| 298 | P | 55.7 | Low | 51 | Low | 122 Ų | 122 | 114.3 Ų | 114.3 | 79% | 0.792 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 32.6 | -164.3 | 31.4 | -38.8 | 0 | 0 | 0 | 115.5 | ||
| 299 | H | 45 | Very low | 49.9 | Very low | 170 Ų | 170 | 119.4 Ų | 119.4 | 79% | 0.787 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.1 | 5.7 | -179.4 | -75.1 | 67.1 | 0 | 0 | 0 | 113.3 | P297 | P297-H299 PolarHBondContact O-N 2.86Š|
| 300 | S | 47.4 | Very low | 48.6 | Very low | 75 Ų | 75 | 119.5 Ų | 119.5 | 52% | 0.524 | 71% | 0.713 | S | S | . | * | S | Bend | trans | -75.4 | -23.5 | 176 | 45.6 | 0 | 0 | 0 | 0 | 114.2 | A302 | S300-A302 PolarHBondContact O-N 3.24Š|
| 301 | H | 51 | Low | 47.2 | Very low | 168 Ų | 168 | 116.5 Ų | 116.5 | 78% | 0.778 | 71% | 0.713 | S | S | * | * | trans | -103.5 | 71.6 | -177.5 | -70 | -83.3 | 0 | 0 | 0 | 112.8 | ||||
| 302 | A | 37.6 | Very low | 45.2 | Very low | 94 Ų | 94 | 122.9 Ų | 122.9 | 78% | 0.777 | 74% | 0.735 | S | S | * | * | trans | -126.8 | 71.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S300 | S300-A302 PolarHBondContact O-N 3.24Š| ||
| 303 | G | 38.1 | Very low | 44 | Very low | 72 Ų | 72 | 123.1 Ų | 123.1 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | trans | 98.8 | 92.3 | 154.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 304 | V | 33.8 | Very low | 42.3 | Very low | 150 Ų | 150 | 122.4 Ų | 122.4 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | -133.2 | 135.9 | 126.5 | 175.9 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 305 | V | 34.1 | Very low | 40.3 | Very low | 144 Ų | 144 | 119.8 Ų | 119.8 | 87% | 0.873 | 76% | 0.759 | S | S | * | * | trans | -113 | 129.4 | 171.3 | -75.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 306 | G | 32.8 | Very low | 39.3 | Very low | 73 Ų | 73 | 121.9 Ų | 121.9 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | trans | 98.9 | 120.2 | 155.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 307 | A | 32.6 | Very low | 37.3 | Very low | 105 Ų | 105 | 121.9 Ų | 121.9 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | trans | 83.6 | 155.4 | 139.1 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 308 | A | 32.8 | Very low | 36.2 | Very low | 100 Ų | 100 | 125.3 Ų | 125.3 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | 75.1 | 126.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 309 | Q | 37.7 | Very low | 35 | Very low | 202 Ų | 202 | 125.1 Ų | 125.1 | 94% | 0.944 | 80% | 0.797 | S | S | * | * | trans | -75.1 | 132.5 | 158.9 | -61.7 | 172.3 | -61.8 | 0 | 0 | 109.4 | ||||
| 310 | A | 33.7 | Very low | 34.3 | Very low | 102 Ų | 102 | 123.7 Ų | 123.7 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | -156.9 | 120.7 | 151.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 311 | G | 30.3 | Very low | 33.6 | Very low | 69 Ų | 69 | 125.1 Ų | 125.1 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | trans | -95.1 | 138 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 312 | Y | 28.9 | Very low | 32.7 | Very low | 231 Ų | 231 | 122.8 Ų | 122.8 | 91% | 0.906 | 82% | 0.82 | S | S | * | * | trans | -155.6 | 161.8 | 149.4 | -117 | -78.2 | 0 | 0 | 0 | 111.4 | ||||
| 313 | T | 31.8 | Very low | 32.5 | Very low | 123 Ų | 123 | 125.4 Ų | 125.4 | 76% | 0.755 | 83% | 0.826 | S | S | * | * | trans | -69 | 127.6 | -167.9 | 53.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 314 | G | 30.5 | Very low | 32.1 | Very low | 74 Ų | 74 | 124.7 Ų | 124.7 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | 65.5 | 177.6 | 118.2 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 315 | S | 27.8 | Very low | 32 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 71% | 0.713 | 82% | 0.822 | S | S | * | * | trans | 92.3 | 157.6 | 165.6 | -138.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 316 | Y | 34.9 | Very low | 31.7 | Very low | 218 Ų | 218 | 124.2 Ų | 124.2 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | trans | -85.4 | 162 | -161.7 | 41.9 | -102.6 | 0 | 0 | 0 | 114.5 | ||||
| 317 | G | 30.6 | Very low | 31.5 | Very low | 72 Ų | 72 | 126.2 Ų | 126.2 | 74% | 0.742 | 83% | 0.825 | S | S | * | * | trans | -172.8 | 70.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 318 | I | 33 | Very low | 31.4 | Very low | 165 Ų | 165 | 124.9 Ų | 124.9 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | trans | -72.4 | 132.3 | 166.9 | -68.1 | 174.4 | 0 | 0 | 0 | 109.1 | ||||
| 319 | S | 31.2 | Very low | 31.3 | Very low | 119 Ų | 119 | 127.7 Ų | 127.7 | 83% | 0.832 | 83% | 0.828 | S | S | * | * | trans | -140.8 | 101.4 | 170.7 | -79 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 320 | T | 30.7 | Very low | 31 | Very low | 140 Ų | 140 | 121 Ų | 121 | 86% | 0.859 | 81% | 0.813 | S | S | * | * | trans | -80.2 | 126.1 | 168.4 | 49.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 321 | A | 32.6 | Very low | 30.8 | Very low | 105 Ų | 105 | 120 Ų | 120 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | trans | -136.9 | 123 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 322 | S | 32.2 | Very low | 31 | Very low | 118 Ų | 118 | 125.1 Ų | 125.1 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -120 | 114 | -177.6 | 57.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 323 | V | 31.6 | Very low | 31 | Very low | 150 Ų | 150 | 118.1 Ų | 118.1 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | -138.4 | 146.4 | 165.4 | -177.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 324 | G | 30 | Very low | 31 | Very low | 57 Ų | 57 | 124.8 Ų | 124.8 | 59% | 0.588 | 81% | 0.812 | S | S | * | * | trans | -133.1 | -163.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 325 | Q | 32.2 | Very low | 31.1 | Very low | 212 Ų | 212 | 129.9 Ų | 129.9 | 99% | 0.991 | 82% | 0.818 | S | S | * | * | trans | 77.3 | 134.3 | -168.6 | -50.1 | 175.9 | -9.1 | 0 | 0 | 113.6 | ||||
| 326 | G | 27.4 | Very low | 31.3 | Very low | 72 Ų | 72 | 130.5 Ų | 130.5 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | cis | 176 | 155.9 | -10.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 327 | A | 29.7 | Very low | 31.5 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 94% | 0.942 | 83% | 0.826 | S | S | * | * | trans | 54.8 | 122.4 | 159.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 328 | G | 29.5 | Very low | 31.5 | Very low | 77 Ų | 77 | 135.6 Ų | 135.6 | 79% | 0.794 | 83% | 0.831 | S | S | * | * | trans | -170.3 | 137.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 329 | V | 31.2 | Very low | 31.6 | Very low | 159 Ų | 159 | 135.8 Ų | 135.8 | 96% | 0.964 | 83% | 0.828 | S | S | * | * | trans | -129.1 | 136.1 | -162 | -178.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 330 | G | 30.3 | Very low | 31.7 | Very low | 61 Ų | 61 | 138.8 Ų | 138.8 | 63% | 0.629 | 83% | 0.829 | S | S | * | * | trans | 147.6 | 127.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 331 | A | 30.6 | Very low | 31.8 | Very low | 81 Ų | 81 | 139.2 Ų | 139.2 | 67% | 0.669 | 82% | 0.821 | S | S | * | * | cis | 61.8 | 134.3 | 34.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 332 | H | 33.4 | Very low | 31.8 | Very low | 178 Ų | 178 | 142.8 Ų | 142.8 | 82% | 0.824 | 82% | 0.82 | S | S | * | * | cis | -148.5 | 172.8 | 20.9 | -50 | -108.1 | 0 | 0 | 0 | 112.7 | ||||
| 333 | A | 29.1 | Very low | 31.7 | Very low | 84 Ų | 84 | 145.3 Ų | 145.3 | 69% | 0.694 | 82% | 0.819 | S | S | * | * | trans | 59.7 | 131.2 | 146.5 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 334 | W | 32.1 | Very low | 31.7 | Very low | 262 Ų | 262 | 145.3 Ų | 145.3 | 99% | 0.992 | 82% | 0.819 | S | S | * | * | trans | -70.2 | 141.4 | 148.1 | -78.9 | 22.3 | 0 | 0 | 0 | 109.8 | ||||
| 335 | M | 32.2 | Very low | 31.7 | Very low | 182 Ų | 182 | 150.1 Ų | 150.1 | 90% | 0.897 | 83% | 0.831 | S | S | * | * | trans | -140 | 154.9 | 163.1 | -73.2 | -158.9 | 76.7 | 0 | 0 | 112.6 | ||||
| 336 | S | 32 | Very low | 31.6 | Very low | 115 Ų | 115 | 145.9 Ų | 145.9 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -77.2 | 154.1 | -169.6 | -62 | 0 | 0 | 0 | 0 | 114.4 | Q338 | S336-Q338 PolarHBondContact O-N 2.91Å; S336-Q338 VanDerWaalsContact O-N 3.14Å | ||
| 337 | K | 39.3 | Very low | 31.7 | Very low | 215 Ų | 215 | 147.8 Ų | 147.8 | 94% | 0.935 | 82% | 0.817 | S | S | * | * | trans | -64.4 | 103.4 | 170.1 | 179.2 | -175.4 | -178.2 | 179.8 | 0 | 110.9 | ||||
| 338 | Q | 30.6 | Very low | 31.7 | Very low | 181 Ų | 181 | 150.5 Ų | 150.5 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | trans | -133.6 | 114.1 | 170 | -167 | 162.6 | -5.7 | 0 | 0 | 113.2 | S336 | S336-Q338 PolarHBondContact O-N 2.91Å; S336-Q338 VanDerWaalsContact O-N 3.14Å | ||
| 339 | Q | 36.7 | Very low | 31.6 | Very low | 170 Ų | 170 | 150.6 Ų | 150.6 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | -14.2 | 121.3 | 156.5 | -177.6 | 174.5 | -3.9 | 0 | 0 | 116.6 | ||||
| 340 | Q | 31.9 | Very low | 31.6 | Very low | 181 Ų | 181 | 147.2 Ų | 147.2 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -103.8 | 131.4 | 169.3 | -168.4 | 174.8 | 17.4 | 0 | 0 | 110 | ||||
| 341 | Q | 32.4 | Very low | 31.6 | Very low | 149 Ų | 149 | 149.4 Ų | 149.4 | 70% | 0.696 | 83% | 0.825 | S | S | * | * | trans | -132.1 | 117.4 | 177.2 | -173.8 | 175.3 | 15.5 | 0 | 0 | 107.9 | H343 | Q341-H343 PolarHBondContact O-CE1 3.48Å; Q341-H343 PolarHBondContact O-ND1 3.3Å | ||
| 342 | Q | 33.3 | Very low | 31.6 | Very low | 180 Ų | 180 | 149 Ų | 149 | 84% | 0.841 | 83% | 0.829 | S | S | * | * | trans | -77.7 | 154.7 | 176.6 | -72.9 | -176.8 | -13.6 | 0 | 0 | 111.1 | ||||
| 343 | H | 29.6 | Very low | 31.5 | Very low | 171 Ų | 171 | 148.4 Ų | 148.4 | 79% | 0.792 | 83% | 0.826 | S | S | * | * | trans | -118.4 | 133.2 | -172.7 | -9.4 | -77.9 | 0 | 0 | 0 | 110.4 | Q341 | Q341-H343 PolarHBondContact O-CE1 3.48Å; Q341-H343 PolarHBondContact O-ND1 3.3Å | ||
| 344 | T | 31.4 | Very low | 31.6 | Very low | 150 Ų | 150 | 152.4 Ų | 152.4 | 92% | 0.92 | 83% | 0.831 | S | S | * | * | trans | -128.7 | 159.1 | 159.4 | 46.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 345 | L | 30.4 | Very low | 31.6 | Very low | 159 Ų | 159 | 143.4 Ų | 143.4 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | -108.5 | 168.7 | -151 | -143.1 | 80.8 | 0 | 0 | 0 | 113.2 | ||||
| 346 | T | 30.1 | Very low | 31.6 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | trans | 81.1 | 136.1 | 159.6 | -26.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 347 | T | 30.4 | Very low | 31.6 | Very low | 113 Ų | 113 | 145.7 Ų | 145.7 | 69% | 0.693 | 82% | 0.815 | S | S | * | * | cis | -168.6 | 148.6 | -19.7 | -97.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 348 | L | 29.5 | Very low | 31.2 | Very low | 171 Ų | 171 | 138.7 Ų | 138.7 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | trans | 42.4 | 129.6 | 161.4 | -74.2 | 164.3 | 0 | 0 | 0 | 122.4 | ||||
| 349 | G | 27.7 | Very low | 31.4 | Very low | 78 Ų | 78 | 138.1 Ų | 138.1 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | 130.1 | 134 | 123.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 350 | G | 30.1 | Very low | 31.4 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 92% | 0.918 | 79% | 0.793 | S | S | * | * | trans | 100.2 | 138.5 | 153.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 351 | A | 31.2 | Very low | 31.7 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 88% | 0.884 | 79% | 0.79 | S | S | * | * | trans | -121.9 | 165 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 352 | G | 30.1 | Very low | 31.9 | Very low | 73 Ų | 73 | 135.4 Ų | 135.4 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | 77.2 | 167.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 353 | E | 31.6 | Very low | 31.9 | Very low | 164 Ų | 164 | 131.9 Ų | 131.9 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | cis | -162.4 | 177.8 | -24.8 | -139.8 | -168.8 | 115.2 | 0 | 0 | 107.9 | ||||
| 354 | Q | 31.3 | Very low | 32 | Very low | 168 Ų | 168 | 130.8 Ų | 130.8 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | 9.9 | 121.5 | 165.2 | -56.1 | -178.3 | 43.5 | 0 | 0 | 121.6 | ||||
| 355 | G | 30.7 | Very low | 32.2 | Very low | 73 Ų | 73 | 130.7 Ų | 130.7 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | 94.5 | 140.5 | 114.6 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 356 | Q | 34.1 | Very low | 32.5 | Very low | 168 Ų | 168 | 130.7 Ų | 130.7 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | 67.1 | 136.7 | 147.6 | -89.2 | -170.7 | 72.5 | 0 | 0 | 122.9 | ||||
| 357 | Q | 31.4 | Very low | 33 | Very low | 177 Ų | 177 | 130.4 Ų | 130.4 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | trans | 64.3 | 164.4 | 158.5 | -58.3 | 176.5 | 52.1 | 0 | 0 | 115.8 | ||||
| 358 | G | 30.2 | Very low | 33.6 | Very low | 69 Ų | 69 | 131.4 Ų | 131.4 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | cis | 171.1 | 123.2 | -15.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 359 | Q | 35.7 | Very low | 34.1 | Very low | 168 Ų | 168 | 130.7 Ų | 130.7 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | 63.7 | 147.2 | 161 | -74.9 | -166.4 | 9 | 0 | 0 | 123 | ||||
| 360 | Q | 36.3 | Very low | 34.4 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 63% | 0.626 | 75% | 0.746 | S | S | * | * | trans | 69.5 | 147.6 | 153.5 | -73.1 | 176.3 | 77 | 0 | 0 | 116.8 | ||||
| 361 | R | 38.6 | Very low | 34.7 | Very low | 204 Ų | 204 | 135.1 Ų | 135.1 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | cis | -158.5 | -176.5 | 11.4 | -118.3 | 171.2 | -150.9 | -158.2 | 8.5 | 107.9 | ||||
| 362 | T | 35.9 | Very low | 35.9 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 64% | 0.644 | 73% | 0.733 | S | S | * | * | cis | -163 | 148.7 | 7.7 | -5.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 363 | T | 32.7 | Very low | 36.1 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 66% | 0.656 | 74% | 0.738 | S | S | * | * | trans | 62 | 161.1 | 152 | 65.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 364 | Q | 32 | Very low | 36.3 | Very low | 147 Ų | 147 | 139.1 Ų | 139.1 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | cis | -128.8 | 138.4 | -0.4 | -54.5 | -82.5 | -20.4 | 0 | 0 | 107.6 | ||||
| 365 | I | 36.9 | Very low | 36.2 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | 51.8 | 122.6 | 84.2 | -52.3 | 175.6 | 0 | 0 | 0 | 112 | |||||
| 366 | K | 37 | Very low | 36.3 | Very low | 159 Ų | 159 | 143.1 Ų | 143.1 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | -147.1 | 171 | 50.6 | -157.4 | -174.5 | 179.4 | -143.3 | 0 | 114.3 | E368 | K366-E368 VanDerWaalsContact CE-OE2 3.3Å; K366-E368 WeakPolarHBondContact CE-OE2 3.41Å; K366-E368 IonicContact NZ-OE2 2.73Å; K366-E368 PolarHBondContact NZ-OE2 3.1Å | |||
| 367 | T | 40 | Very low | 36.2 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 71% | 0.712 | 74% | 0.742 | S | S | * | * | trans | -148.5 | 137.5 | -170.8 | 54.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 368 | E | 42.1 | Very low | 36.4 | Very low | 135 Ų | 135 | 140.1 Ų | 140.1 | 63% | 0.631 | 74% | 0.735 | S | S | * | * | trans | -146.4 | 129.3 | 166.3 | -75.2 | 93.4 | -21.5 | 0 | 0 | 106.5 | K366 | K366-E368 VanDerWaalsContact CE-OE2 3.3Å; K366-E368 WeakPolarHBondContact CE-OE2 3.41Å; K366-E368 IonicContact NZ-OE2 2.73Å; K366-E368 PolarHBondContact NZ-OE2 3.1Å | ||
| 369 | Q | 40.5 | Very low | 36.6 | Very low | 156 Ų | 156 | 145.4 Ų | 145.4 | 73% | 0.729 | 74% | 0.741 | S | S | * | * | cis | 87.7 | 138.5 | 32.4 | -59 | -68.8 | 28.1 | 0 | 0 | 113.9 | ||||
| 370 | L | 34.5 | Very low | 36.3 | Very low | 153 Ų | 153 | 141.2 Ų | 141.2 | 80% | 0.801 | 74% | 0.743 | S | S | * | * | cis | -150.6 | -167.3 | 10.8 | -125.2 | 164.8 | 0 | 0 | 0 | 112.2 | ||||
| 371 | S | 35.3 | Very low | 36.1 | Very low | 106 Ų | 106 | 140.5 Ų | 140.5 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | trans | -108.6 | 174.4 | -160.6 | -55.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 372 | P | 58.1 | Low | 36.9 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | trans | -108.1 | 171.8 | -161.7 | 41.4 | -35.9 | 0 | 0 | 0 | 117.6 | ||||
| 373 | S | 32.8 | Very low | 36.8 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | -166.3 | 173.4 | 164.1 | -85 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 374 | H | 35.7 | Very low | 36.8 | Very low | 184 Ų | 184 | 140.6 Ų | 140.6 | 85% | 0.852 | 76% | 0.756 | S | S | * | * | trans | -91.3 | 152.7 | -162.2 | -44.1 | 120.6 | 0 | 0 | 0 | 118.3 | ||||
| 375 | Y | 29.2 | Very low | 36.9 | Very low | 225 Ų | 225 | 141.7 Ų | 141.7 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | trans | 178.9 | 157.5 | 141.3 | -114.2 | -140.7 | 0 | 0 | 0 | 109.2 | ||||
| 376 | S | 33.2 | Very low | 36.7 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | cis | -160 | -169.6 | -13.2 | -148.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 377 | D | 32.9 | Very low | 36.5 | Very low | 137 Ų | 137 | 142.6 Ų | 142.6 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | trans | -95 | 159.5 | 176.2 | -179.3 | -108 | 0 | 0 | 0 | 114 | ||||
| 378 | Q | 34.7 | Very low | 36 | Very low | 146 Ų | 146 | 140.5 Ų | 140.5 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | trans | 147.5 | 117 | 130.4 | -165.2 | 159.4 | 116 | 0 | 0 | 117.6 | ||||
| 379 | Q | 33.8 | Very low | 35.7 | Very low | 179 Ų | 179 | 139.6 Ų | 139.6 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | 52 | 136.2 | 151.1 | -66.9 | 172 | 42.7 | 0 | 0 | 123.3 | ||||
| 380 | G | 30 | Very low | 35.3 | Very low | 81 Ų | 81 | 142.4 Ų | 142.4 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | 173.3 | 115.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 381 | S | 32 | Very low | 35.4 | Very low | 118 Ų | 118 | 141.4 Ų | 141.4 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | -167.6 | 163.6 | 178.9 | -158.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 382 | P | 55.2 | Low | 35.3 | Very low | 101 Ų | 101 | 141.9 Ų | 141.9 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | cis | -114.6 | -169.8 | -22 | 40.5 | -28.4 | 0 | 0 | 0 | 111.1 | ||||
| 383 | Q | 34.6 | Very low | 34 | Very low | 174 Ų | 174 | 142.5 Ų | 142.5 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | -170.3 | 166.9 | 126.3 | -100.4 | -44.1 | -24.7 | 0 | 0 | 114.4 | |||||
| 384 | H | 33.1 | Very low | 33.9 | Very low | 144 Ų | 144 | 143.7 Ų | 143.7 | 67% | 0.667 | 76% | 0.76 | S | S | * | * | trans | -100.2 | 157.8 | -167 | -165.8 | -121.3 | 0 | 0 | 0 | 113.7 | T386 | H384-T386 PolarHBondContact CE1-OG1 3.42Å; H384-T386 PolarHBondContact ND1-OG1 3.42Å; H384-T386 VanDerWaalsContact ND1-OG1 3.15Å | ||
| 385 | I | 33.9 | Very low | 33.8 | Very low | 170 Ų | 170 | 145.1 Ų | 145.1 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | trans | -150.7 | 150.9 | 151.7 | -105.3 | 156.6 | 0 | 0 | 0 | 108.9 | ||||
| 386 | T | 31.7 | Very low | 34 | Very low | 88 Ų | 88 | 139.6 Ų | 139.6 | 54% | 0.54 | 75% | 0.753 | S | S | . | * | trans | -124.7 | 169.4 | -163.6 | -54 | 0 | 0 | 0 | 0 | 111.9 | H384 | H384-T386 PolarHBondContact CE1-OG1 3.42Å; H384-T386 PolarHBondContact ND1-OG1 3.42Å; H384-T386 VanDerWaalsContact ND1-OG1 3.15Å | ||
| 387 | Y | 32.8 | Very low | 34.6 | Very low | 237 Ų | 237 | 140.4 Ų | 140.4 | 93% | 0.929 | 76% | 0.756 | S | S | * | * | trans | 122.4 | 129.2 | 161.6 | -67.8 | -63 | 0 | 0 | 0 | 112.1 | ||||
| 388 | G | 30.9 | Very low | 34.6 | Very low | 72 Ų | 72 | 138.9 Ų | 138.9 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | cis | -175.1 | 142.8 | -8.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 389 | S | 34.2 | Very low | 34.5 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -82.4 | 148.8 | -179.8 | -54.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 390 | F | 33.4 | Very low | 34.6 | Very low | 214 Ų | 214 | 139.2 Ų | 139.2 | 94% | 0.939 | 76% | 0.762 | S | S | * | * | trans | -136.3 | 159.2 | 143.9 | -113.5 | -84.8 | 0 | 0 | 0 | 111.2 | ||||
| 391 | N | 35.8 | Very low | 35.4 | Very low | 132 Ų | 132 | 141.2 Ų | 141.2 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | -133.6 | 169 | -166.6 | -145.5 | -7.7 | 0 | 0 | 0 | 105.5 | ||||
| 392 | L | 33.2 | Very low | 35.4 | Very low | 116 Ų | 116 | 140.3 Ų | 140.3 | 61% | 0.607 | 75% | 0.754 | S | S | * | * | cis | -177.9 | 158 | 30.8 | -177.5 | 56.2 | 0 | 0 | 0 | 109.8 | ||||
| 393 | Q | 31.4 | Very low | 34.4 | Very low | 134 Ų | 134 | 143.9 Ų | 143.9 | 63% | 0.626 | 77% | 0.766 | S | S | * | * | trans | 75.9 | 149.6 | 146.4 | -96 | 158.6 | -2 | 0 | 0 | 126.2 | ||||
| 394 | H | 30.9 | Very low | 34.4 | Very low | 149 Ų | 149 | 141.4 Ų | 141.4 | 69% | 0.69 | 76% | 0.763 | S | S | * | * | trans | 61.3 | 131.6 | 160.8 | -50.4 | -52.8 | 0 | 0 | 0 | 118 | ||||
| 395 | Y | 32.6 | Very low | 34.3 | Very low | 213 Ų | 213 | 144.5 Ų | 144.5 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | cis | -151.5 | 172.2 | 44.2 | -106 | -90.6 | 0 | 0 | 0 | 114.6 | ||||
| 396 | S | 33.9 | Very low | 34.2 | Very low | 109 Ų | 109 | 141 Ų | 141 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | -146.3 | 143.5 | 154.7 | -72.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 397 | P | 46.5 | Very low | 34.2 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | -150.8 | 168.7 | 83.3 | 40.7 | -22.8 | 0 | 0 | 0 | 117 | |||||
| 398 | S | 32.3 | Very low | 34.2 | Very low | 105 Ų | 105 | 142.7 Ų | 142.7 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | 29.4 | 126.5 | 143.6 | -174.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 399 | S | 31.5 | Very low | 34.1 | Very low | 113 Ų | 113 | 145.5 Ų | 145.5 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | -170.6 | 129.5 | 109.3 | -77.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 400 | Y | 36.4 | Very low | 33.9 | Very low | 220 Ų | 220 | 148.7 Ų | 148.7 | 86% | 0.863 | 76% | 0.76 | S | S | * | * | trans | -89 | 163.7 | 154.8 | -86.9 | -87.5 | 0 | 0 | 0 | 109.1 | ||||
| 401 | P | 46.4 | Very low | 33.8 | Very low | 123 Ų | 123 | 142.7 Ų | 142.7 | 80% | 0.799 | 75% | 0.745 | S | S | * | * | -138.6 | 159.5 | 96.8 | 35.3 | -21.9 | 0 | 0 | 0 | 114.5 | |||||
| 402 | S | 32.6 | Very low | 33.6 | Very low | 98 Ų | 98 | 142.6 Ų | 142.6 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 152.5 | 172.6 | -51.4 | 0 | 0 | 0 | 0 | 112.2 | ||
| 403 | I | 34 | Very low | 33.8 | Very low | 177 Ų | 177 | 144.1 Ų | 144.1 | 91% | 0.908 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 127.3 | 164.1 | -67.5 | 175.5 | 0 | 0 | 0 | 109.2 | ||
| 404 | T | 34.3 | Very low | 34 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 143.3 | -177.2 | 48 | 0 | 0 | 0 | 0 | 113.6 | ||
| 405 | R | 31.8 | Very low | 33.8 | Very low | 209 Ų | 209 | 143.5 Ų | 143.5 | 79% | 0.789 | 75% | 0.753 | S | S | * | * | trans | -45.4 | 143.9 | 158.1 | 170.4 | -177.5 | 178.1 | 164.5 | -2.4 | 112.2 | ||||
| 406 | A | 32.6 | Very low | 33.7 | Very low | 96 Ų | 96 | 139.1 Ų | 139.1 | 79% | 0.793 | 75% | 0.754 | S | S | * | * | trans | -127.4 | 152.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 407 | Q | 31.8 | Very low | 33.7 | Very low | 136 Ų | 136 | 138 Ų | 138 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | trans | -149.8 | 148.5 | 176.3 | -73.1 | -151.9 | -108.6 | 0 | 0 | 113 | ||||
| 408 | Y | 30.9 | Very low | 32.9 | Very low | 226 Ų | 226 | 140.1 Ų | 140.1 | 89% | 0.886 | 76% | 0.756 | S | S | * | * | trans | -158.2 | 137.1 | 160.4 | -75.4 | -77.5 | 0 | 0 | 0 | 106 | ||||
| 409 | D | 29.5 | Very low | 33.1 | Very low | 131 Ų | 131 | 139.6 Ų | 139.6 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | cis | 80.9 | 133 | 4.4 | -143.4 | -105.8 | 0 | 0 | 0 | 116.4 | ||||
| 410 | Y | 30 | Very low | 33.1 | Very low | 183 Ų | 183 | 143.8 Ų | 143.8 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | cis | -98.6 | -144.7 | -0.5 | -151.3 | -149.4 | 0 | 0 | 0 | 110.4 | E412 | Y410-E412 HydrophobicContact CE1-CB 4.31Š| ||
| 411 | S | 32.2 | Very low | 32.9 | Very low | 89 Ų | 89 | 142.7 Ų | 142.7 | 62% | 0.622 | 75% | 0.748 | S | S | * | * | cis | -152.1 | 138.8 | 3.2 | -118 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 412 | E | 30.4 | Very low | 32.1 | Very low | 130 Ų | 130 | 141.7 Ų | 141.7 | 61% | 0.607 | 74% | 0.744 | S | S | * | * | 85.5 | 112 | 78 | -165.9 | -174.4 | 163 | 0 | 0 | 116.7 | Y410 | Y410-E412 HydrophobicContact CE1-CB 4.31Š| |||
| 413 | H | 37.5 | Very low | 32.2 | Very low | 148 Ų | 148 | 144.9 Ų | 144.9 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | 175.9 | 137.4 | 124.1 | -91.3 | -39.8 | 0 | 0 | 0 | 113.7 | |||||
| 414 | Q | 35.3 | Very low | 32.1 | Very low | 165 Ų | 165 | 140.7 Ų | 140.7 | 77% | 0.771 | 74% | 0.74 | S | S | * | * | trans | 43.7 | 114.6 | 146.6 | -69.2 | 175.1 | 18.1 | 0 | 0 | 119.6 | ||||
| 415 | S | 28.5 | Very low | 31.9 | Very low | 105 Ų | 105 | 140.2 Ų | 140.2 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | 59.5 | 138.2 | 83.1 | 82 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 416 | S | 30.2 | Very low | 32 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | cis | -155.4 | -174.5 | 28 | 58.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 417 | A | 33.6 | Very low | 32 | Very low | 85 Ų | 85 | 138.4 Ų | 138.4 | 70% | 0.702 | 75% | 0.751 | S | S | * | * | trans | -91.3 | 154.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 418 | N | 29.2 | Very low | 32 | Very low | 161 Ų | 161 | 135.2 Ų | 135.2 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | -170 | 164.6 | 117.3 | -111.3 | -15.1 | 0 | 0 | 0 | 114.5 | |||||
| 419 | S | 36.9 | Very low | 32.2 | Very low | 95 Ų | 95 | 129.5 Ų | 129.5 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | trans | -98.4 | 171.5 | 174.5 | -50.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 420 | Y | 30.9 | Very low | 32.3 | Very low | 201 Ų | 201 | 127.9 Ų | 127.9 | 79% | 0.788 | 75% | 0.746 | S | S | * | * | trans | 137 | 144 | 133.9 | -79.4 | -72.4 | 0 | 0 | 0 | 116.9 | ||||
| 421 | Y | 31.6 | Very low | 32.8 | Very low | 196 Ų | 196 | 125.9 Ų | 125.9 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | 58.8 | 130.7 | 176.4 | -65.7 | -86.9 | 0 | 0 | 0 | 117.3 | ||||
| 422 | S | 29.6 | Very low | 33 | Very low | 102 Ų | 102 | 132.6 Ų | 132.6 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | cis | 104.7 | 167.3 | 17.1 | -163.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 423 | H | 35.4 | Very low | 33.3 | Very low | 166 Ų | 166 | 131.7 Ų | 131.7 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | 77.8 | 147 | -170.6 | -46.7 | -79.3 | 0 | 0 | 0 | 116.6 | ||||
| 424 | A | 31.6 | Very low | 33 | Very low | 89 Ų | 89 | 130.3 Ų | 130.3 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | cis | -169.6 | 146.4 | -28.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 425 | A | 31.1 | Very low | 32.8 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 92% | 0.917 | 77% | 0.769 | S | S | * | * | trans | 64 | 149.9 | 149.1 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 426 | G | 32.3 | Very low | 33 | Very low | 69 Ų | 69 | 131.6 Ų | 131.6 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | 116.9 | 98 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 427 | Q | 33.7 | Very low | 33.3 | Very low | 198 Ų | 198 | 135 Ų | 135 | 93% | 0.925 | 77% | 0.773 | S | S | * | * | 58.8 | 121.5 | 63 | -58.5 | -72.9 | 21.4 | 0 | 0 | 113.7 | |||||
| 428 | G | 31.6 | Very low | 33.5 | Very low | 69 Ų | 69 | 139.8 Ų | 139.8 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | cis | -176.4 | -156.4 | 1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 429 | S | 35.5 | Very low | 33.8 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -40.5 | 142 | 177.8 | -169.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 430 | S | 32.1 | Very low | 34.2 | Very low | 97 Ų | 97 | 138.3 Ų | 138.3 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | 48.1 | 129.1 | 74.7 | -137.3 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 431 | L | 39.4 | Very low | 34.5 | Very low | 141 Ų | 141 | 133.8 Ų | 133.8 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | -165.9 | 154.2 | 55.7 | -86.3 | 166.3 | 0 | 0 | 0 | 113.9 | |||||
| 432 | Y | 36.5 | Very low | 34.8 | Very low | 231 Ų | 231 | 133.9 Ų | 133.9 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | trans | 54.6 | 164.1 | 142.9 | -101.3 | -101.2 | 0 | 0 | 0 | 125.2 | ||||
| 433 | S | 36.3 | Very low | 35.4 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -116 | 148.8 | -177.3 | 176.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 434 | T | 31.1 | Very low | 36.1 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 73% | 0.73 | 79% | 0.791 | S | S | * | * | trans | -153.4 | 141.4 | 167.3 | -175.1 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 435 | F | 31.9 | Very low | 36.2 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 74% | 0.737 | 80% | 0.802 | S | S | * | * | -157.4 | 149.9 | 51.2 | -147.4 | -83.4 | 0 | 0 | 0 | 110.9 | |||||
| 436 | S | 32.3 | Very low | 36.4 | Very low | 129 Ų | 129 | 146.6 Ų | 146.6 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -164.7 | 116.9 | 154.6 | -86.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 437 | Y | 36.7 | Very low | 37 | Very low | 194 Ų | 194 | 147.7 Ų | 147.7 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | trans | -137.3 | 105.9 | -179.4 | -160.3 | -75.6 | 0 | 0 | 0 | 109.3 | ||||
| 438 | M | 38.4 | Very low | 37.8 | Very low | 184 Ų | 184 | 144.3 Ų | 144.3 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | trans | -155.9 | 119.4 | 157.2 | -82.6 | -130.4 | 86.3 | 0 | 0 | 108.9 | ||||
| 439 | S | 35.7 | Very low | 38 | Very low | 93 Ų | 93 | 148.1 Ų | 148.1 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | trans | -115.6 | 144.2 | 171.8 | 54.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 440 | P | 44 | Very low | 38.2 | Very low | 132 Ų | 132 | 147.8 Ų | 147.8 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | trans | -110.9 | 138 | 153 | 34.1 | -27.1 | 0 | 0 | 0 | 110.3 | ||||
| 441 | S | 37.9 | Very low | 38.3 | Very low | 106 Ų | 106 | 150.6 Ų | 150.6 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | trans | -99.9 | 147.1 | 179.9 | 56.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 442 | Q | 38.7 | Very low | 38.2 | Very low | 199 Ų | 199 | 148 Ų | 148 | 93% | 0.93 | 79% | 0.792 | S | S | * | * | trans | -159.5 | 165.2 | 141.6 | -111.6 | 156.6 | 105.8 | 0 | 0 | 111.3 | ||||
| 443 | R | 40.9 | Very low | 38.3 | Very low | 234 Ų | 234 | 143.9 Ų | 143.9 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -115.6 | -160.1 | -161.1 | -61.7 | -174.4 | -179.1 | -172.6 | 1.9 | 111.3 | ||||
| 444 | P | 51 | Low | 38.2 | Very low | 107 Ų | 107 | 142.3 Ų | 142.3 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | -125.2 | -177.2 | -78.4 | 37.7 | -22.6 | 0 | 0 | 0 | 112 | |||||
| 445 | M | 33.5 | Very low | 38.8 | Very low | 195 Ų | 195 | 143.3 Ų | 143.3 | 96% | 0.961 | 80% | 0.797 | S | S | * | * | trans | -129.6 | 149.5 | 149.9 | -76.1 | -63.5 | -89.5 | 0 | 0 | 110 | ||||
| 446 | Y | 33.9 | Very low | 39.7 | Very low | 198 Ų | 198 | 140.8 Ų | 140.8 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -117.9 | 153 | -165.4 | -177.4 | -100.1 | 0 | 0 | 0 | 112.4 | ||||
| 447 | T | 46.4 | Very low | 39.8 | Very low | 93 Ų | 93 | 139.3 Ų | 139.3 | 57% | 0.571 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 135.6 | -177.5 | 48.5 | 0 | 0 | 0 | 0 | 113.1 | ||
| 448 | P | 49.8 | Very low | 40 | Very low | 127 Ų | 127 | 136.1 Ų | 136.1 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 131.6 | 164.3 | 31.7 | -31.5 | 0 | 0 | 0 | 111 | ||
| 449 | I | 35.9 | Very low | 40.6 | Very low | 148 Ų | 148 | 132.3 Ų | 132.3 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 145.3 | 164.8 | -65.4 | 171 | 0 | 0 | 0 | 107.6 | ||
| 450 | A | 39.4 | Very low | 40.6 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 133.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 451 | D | 34.3 | Very low | 40 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | -149.7 | -173.8 | 156.8 | -148.4 | -29.6 | 0 | 0 | 0 | 109 | ||||
| 452 | S | 37.9 | Very low | 39.9 | Very low | 88 Ų | 88 | 138.2 Ų | 138.2 | 62% | 0.615 | 78% | 0.78 | S | S | * | * | trans | -131.2 | -179.5 | -134.5 | 59.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 453 | T | 37.5 | Very low | 39.6 | Very low | 143 Ų | 143 | 134 Ų | 134 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | trans | 85.4 | 138.6 | 171.3 | 76.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 454 | G | 35.5 | Very low | 39.9 | Very low | 77 Ų | 77 | 128.5 Ų | 128.5 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | 128.7 | 109 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 455 | V | 42.4 | Very low | 39.3 | Very low | 141 Ų | 141 | 132.8 Ų | 132.8 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | -144.6 | 144.3 | -179.7 | -171.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 456 | P | 51.2 | Low | 39.3 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | cis | -127.2 | -154.8 | 30.6 | 40.2 | -18.2 | 0 | 0 | 0 | 113.2 | ||||
| 457 | S | 34.4 | Very low | 39.5 | Very low | 98 Ų | 98 | 132 Ų | 132 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | cis | -164.2 | 153.3 | 14 | -139.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 458 | V | 41.5 | Very low | 39 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | 34.5 | 134.1 | 130.1 | 172 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 459 | P | 50.2 | Low | 38.4 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | cis | -146.8 | 177.9 | -23.5 | 42.2 | -23 | 0 | 0 | 0 | 117.2 | ||||
| 460 | Q | 36.1 | Very low | 38.6 | Very low | 164 Ų | 164 | 136 Ų | 136 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | trans | 65 | 155.2 | 161.1 | -72.8 | -176.2 | -3.8 | 0 | 0 | 117.6 | ||||
| 461 | T | 32.1 | Very low | 39.4 | Very low | 132 Ų | 132 | 137 Ų | 137 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | cis | -120.3 | -145.4 | 18.3 | 58.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 462 | H | 35.8 | Very low | 39.9 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | -118.3 | 155 | -147.7 | -72.1 | -105.9 | 0 | 0 | 0 | 117.8 | ||||
| 463 | S | 32.5 | Very low | 40 | Very low | 109 Ų | 109 | 142.3 Ų | 142.3 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | 86.7 | 113.7 | 142.9 | -150.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 464 | P | 45.7 | Very low | 40.4 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | -99.5 | 154.5 | 161.4 | 37.2 | -30.2 | 0 | 0 | 0 | 112.6 | ||||
| 465 | Q | 39.2 | Very low | 41 | Very low | 197 Ų | 197 | 144.7 Ų | 144.7 | 92% | 0.921 | 76% | 0.761 | S | S | * | * | trans | -120.4 | 111.1 | 162.3 | -80 | -169.4 | -22.3 | 0 | 0 | 110.7 | ||||
| 466 | H | 34 | Very low | 41.5 | Very low | 142 Ų | 142 | 145.2 Ų | 145.2 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | trans | -106.4 | 148.1 | 166.3 | 156.9 | -81.3 | 0 | 0 | 0 | 107.8 | E468 | H466-E468 IonicContact CD2-OE2 2.7Å; H466-E468 IonicContact CE1-OE2 3.74Å; H466-E468 PolarHBondContact CE1-OE2 3.35Å; H466-E468 WeakPolarHBondContact NE2-CG 3.43Å; H466-E468 IonicContact NE2-OE2 3.89Å; H466-E468 PolarHBondContact NE2-OE2 3.14Å | ||
| 467 | W | 37 | Very low | 41.4 | Very low | 233 Ų | 233 | 145.7 Ų | 145.7 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | trans | -139.3 | 122.6 | 163.5 | 63.1 | -92.2 | 0 | 0 | 0 | 109.9 | ||||
| 468 | E | 36.5 | Very low | 41.7 | Very low | 118 Ų | 118 | 152 Ų | 152 | 55% | 0.551 | 77% | 0.773 | S | S | * | * | trans | -126.1 | 143.7 | 162.7 | -81.8 | -179.4 | 102.2 | 0 | 0 | 109.3 | H466 | H466-E468 IonicContact CD2-OE2 2.7Å; H466-E468 IonicContact CE1-OE2 3.74Å; H466-E468 PolarHBondContact CE1-OE2 3.35Å; H466-E468 WeakPolarHBondContact NE2-CG 3.43Å; H466-E468 IonicContact NE2-OE2 3.89Å; H466-E468 PolarHBondContact NE2-OE2 3.14Å | ||
| 469 | Q | 38.3 | Very low | 42.8 | Very low | 155 Ų | 155 | 154.9 Ų | 154.9 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | trans | 44.8 | 106.6 | 139.6 | -60.1 | 162.7 | 49.1 | 0 | 0 | 118 | ||||
| 470 | Q | 38.9 | Very low | 42.4 | Very low | 181 Ų | 181 | 157.4 Ų | 157.4 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 128.4 | 160 | -74.5 | -69.7 | -43.4 | 0 | 0 | 109.9 | ||
| 471 | P | 56.8 | Low | 42.7 | Very low | 118 Ų | 118 | 157.1 Ų | 157.1 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 157.2 | 174.8 | 33.2 | -34.1 | 0 | 0 | 0 | 112.4 | ||
| 472 | I | 44.9 | Very low | 43.3 | Very low | 164 Ų | 164 | 158.4 Ų | 158.4 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 130.8 | -178.1 | -62.9 | 158.6 | 0 | 0 | 0 | 110.3 | ||
| 473 | Y | 39.8 | Very low | 43.7 | Very low | 191 Ų | 191 | 158.4 Ų | 158.4 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | trans | -158.9 | 169.9 | 147.4 | -137.3 | -97.8 | 0 | 0 | 0 | 114.2 | Q475 | Y473-Q475 HydrophobicContact CE1-CG 4.19Š| ||
| 474 | T | 46.4 | Very low | 44.4 | Very low | 128 Ų | 128 | 161.4 Ų | 161.4 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | 77.4 | 139 | -175.2 | 70.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 475 | Q | 48 | Very low | 44.4 | Very low | 143 Ų | 143 | 164.2 Ų | 164.2 | 67% | 0.668 | 81% | 0.809 | S | S | * | * | cis | 175.8 | 160 | -34.3 | -107.2 | -70.8 | 13.5 | 0 | 0 | 104.9 | Y473 | Y473-Q475 HydrophobicContact CE1-CG 4.19Š| ||
| 476 | L | 52.1 | Low | 44.7 | Very low | 151 Ų | 151 | 161.9 Ų | 161.9 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -83.1 | 146.5 | -170.5 | -76.7 | 80.1 | 0 | 0 | 0 | 114 | ||||
| 477 | S | 49.4 | Very low | 45.6 | Very low | 126 Ų | 126 | 163.4 Ų | 163.4 | 88% | 0.881 | 81% | 0.812 | S | S | * | * | -161.6 | 155.2 | 126.5 | -84 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 478 | R | 40.6 | Very low | 46.3 | Very low | 231 Ų | 231 | 157.6 Ų | 157.6 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | trans | -115.9 | 175.2 | 172.2 | -105.3 | -178.8 | -170.4 | -110.4 | 8.5 | 107.5 | ||||
| 479 | P | 63.7 | Low | 47.2 | Very low | 185 Ų | 185 | 161.2 Ų | 161.2 | 100% | 1.201 | 83% | 0.83 | S | S | * | * | cis | -92.4 | 0 | 10.9 | 36.2 | -33.9 | 0 | 0 | 0 | 115.5 |
Retrieved 479 of 479 residues in 233.7 ms
(Link to these results)