| 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 | 36.2 | Very low | 45.1 | Very low | 250 Ų | 250 | 148.7 Ų | 148.7 | 100% | 1.232 | 88% | 0.877 | S | S | * | * | 0 | 134.9 | 0 | -44.6 | 177.6 | -151.3 | 0 | 0 | 106.5 | |||||
| 2 | A | 40.9 | Very low | 44.7 | Very low | 89 Ų | 89 | 150 Ų | 150 | 74% | 0.736 | 87% | 0.868 | S | S | * | * | cis | -156.9 | 129 | -16.5 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 3 | L | 42.8 | Very low | 44.3 | Very low | 170 Ų | 170 | 152.4 Ų | 152.4 | 89% | 0.89 | 87% | 0.874 | S | S | * | * | 48.2 | 106.7 | 105.5 | -69.7 | 173.9 | 0 | 0 | 0 | 115.9 | |||||
| 4 | E | 47.2 | Very low | 44.2 | Very low | 188 Ų | 188 | 148.9 Ų | 148.9 | 88% | 0.879 | 86% | 0.864 | S | S | * | * | -166.1 | 130.4 | 113.5 | -92.3 | -172.6 | 143.1 | 0 | 0 | 106.1 | |||||
| 5 | A | 44.7 | Very low | 43.7 | Very low | 101 Ų | 101 | 149 Ų | 149 | 84% | 0.835 | 86% | 0.86 | S | S | * | * | 80.4 | 113.4 | 51.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 6 | G | 47.2 | Very low | 43.9 | Very low | 82 Ų | 82 | 147.3 Ų | 147.3 | 85% | 0.845 | 86% | 0.859 | S | S | * | * | trans | -170 | 76.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 7 | D | 41.6 | Very low | 43.5 | Very low | 164 Ų | 164 | 147.4 Ų | 147.4 | 88% | 0.877 | 86% | 0.856 | S | S | * | * | trans | -85.8 | 139.7 | -166.7 | -168.4 | 18.8 | 0 | 0 | 0 | 111.6 | ||||
| 8 | M | 52.6 | Low | 43.5 | Very low | 181 Ų | 181 | 145.1 Ų | 145.1 | 89% | 0.892 | 85% | 0.849 | S | S | * | * | trans | -159.3 | 114.9 | 177 | -115 | 161.3 | 176.9 | 0 | 0 | 114.2 | ||||
| 9 | E | 48.6 | Very low | 43 | Very low | 190 Ų | 190 | 144.1 Ų | 144.1 | 89% | 0.888 | 84% | 0.84 | S | S | * | * | trans | 91.1 | 92.6 | 150.9 | -146.9 | 156.7 | -147 | 0 | 0 | 119.2 | ||||
| 10 | D | 45 | Very low | 43 | Very low | 141 Ų | 141 | 145.4 Ų | 145.4 | 75% | 0.754 | 84% | 0.84 | S | S | * | * | trans | -60.1 | 135.6 | 163.5 | -81.5 | -60.2 | 0 | 0 | 0 | 112.8 | ||||
| 11 | G | 49.9 | Very low | 42.8 | Very low | 80 Ų | 80 | 143.9 Ų | 143.9 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | trans | -124.4 | 70.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 12 | Q | 40.5 | Very low | 42.7 | Very low | 164 Ų | 164 | 138.5 Ų | 138.5 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | trans | -74.5 | 130.1 | 177.4 | -61.9 | 179.3 | 18.3 | 0 | 0 | 111.5 | ||||
| 13 | L | 39.4 | Very low | 42.6 | Very low | 181 Ų | 181 | 140.5 Ų | 140.5 | 95% | 0.948 | 82% | 0.817 | S | S | * | * | trans | -139.1 | 112.2 | 157.7 | -72.9 | 178.2 | 0 | 0 | 0 | 108.7 | ||||
| 14 | S | 42.8 | Very low | 43 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | -129.5 | 166.2 | 166.9 | -166.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 15 | D | 36.8 | Very low | 42.3 | Very low | 150 Ų | 150 | 133.8 Ų | 133.8 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | trans | 82.2 | 100 | 162.9 | -51 | -11 | 0 | 0 | 0 | 117.1 | ||||
| 16 | S | 46.8 | Very low | 41.6 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -151.3 | 90 | 132.8 | -163.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 17 | D | 36.3 | Very low | 41 | Very low | 149 Ų | 149 | 143.4 Ų | 143.4 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -82.2 | 147.3 | 165.7 | -164 | -17.3 | 0 | 0 | 0 | 109 | D19 | D17-D19 PolarHBondContact OD1-N 2.84Š| ||
| 18 | S | 43.6 | Very low | 41 | Very low | 106 Ų | 106 | 140.6 Ų | 140.6 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | -158.2 | 55.8 | -179.5 | -178.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 19 | D | 34.6 | Very low | 40 | Very low | 125 Ų | 125 | 137.1 Ų | 137.1 | 67% | 0.668 | 78% | 0.782 | S | S | * | * | trans | -70.3 | 148.7 | 157.1 | -160.5 | -20.4 | 0 | 0 | 0 | 110.4 | D17 | D17-D19 PolarHBondContact OD1-N 2.84Š| ||
| 20 | M | 42.5 | Very low | 39 | Very low | 170 Ų | 170 | 135.1 Ų | 135.1 | 84% | 0.837 | 77% | 0.773 | S | S | * | * | trans | -143.7 | 91.3 | 179.8 | -120.2 | -70.7 | -179.7 | 0 | 0 | 110.6 | ||||
| 21 | T | 39.3 | Very low | 38.1 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -132.2 | 104.3 | 176.3 | 46.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 22 | V | 34.7 | Very low | 37.2 | Very low | 137 Ų | 137 | 137 Ų | 137 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | trans | -156.6 | 134.4 | 171 | 170.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 23 | V | 37 | Very low | 36.7 | Very low | 131 Ų | 131 | 138 Ų | 138 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | cis | -165.6 | 165 | -17.6 | 111.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 24 | P | 52 | Low | 36.2 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -96.9 | 174 | -168.2 | 38.3 | -36.7 | 0 | 0 | 0 | 114.8 | ||||
| 25 | S | 31.8 | Very low | 35.6 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -157.4 | 120.1 | 149 | -115.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 26 | D | 30.8 | Very low | 35.1 | Very low | 149 Ų | 149 | 134.8 Ų | 134.8 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | 61.3 | 126.2 | 126.9 | -54.2 | -54.1 | 0 | 0 | 0 | 125.3 | |||||
| 27 | R | 33.6 | Very low | 34.3 | Very low | 236 Ų | 236 | 132.6 Ų | 132.6 | 89% | 0.891 | 77% | 0.769 | S | S | * | * | trans | -80.4 | -177.6 | 156 | -120.6 | 177.5 | -172.1 | -177 | 3.7 | 108.8 | ||||
| 28 | P | 43.4 | Very low | 34 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | cis | -144.9 | -165.8 | -4.5 | 36.3 | -12.4 | 0 | 0 | 0 | 116.1 | ||||
| 29 | V | 29.6 | Very low | 33.6 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 66% | 0.661 | 77% | 0.766 | S | S | * | * | trans | 87.4 | 102.9 | 137.1 | 155.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 30 | Q | 28.9 | Very low | 33.6 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | 81.1 | 127.5 | 123.5 | -65.4 | -177.6 | 29.5 | 0 | 0 | 125.4 | |||||
| 31 | M | 26.6 | Very low | 33.3 | Very low | 164 Ų | 164 | 128.6 Ų | 128.6 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | trans | 87.8 | 132.9 | 130.9 | -79.8 | -173.2 | -165.9 | 0 | 0 | 123.3 | ||||
| 32 | A | 29.3 | Very low | 33 | Very low | 96 Ų | 96 | 129.3 Ų | 129.3 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | trans | 75.9 | 149.1 | 141.6 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 33 | K | 31.4 | Very low | 32.9 | Very low | 185 Ų | 185 | 127.1 Ų | 127.1 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | cis | -173.7 | 114.3 | -17.3 | 175.5 | 173 | -178.4 | 177.8 | 0 | 111.6 | ||||
| 34 | V | 28 | Very low | 33.5 | Very low | 120 Ų | 120 | 126.3 Ų | 126.3 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | 70.4 | 155 | 139 | -176.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 35 | L | 29.9 | Very low | 32.7 | Very low | 172 Ų | 172 | 125.5 Ų | 125.5 | 90% | 0.901 | 76% | 0.761 | S | S | * | * | trans | 84.2 | 133 | 174.1 | -49.2 | 178.7 | 0 | 0 | 0 | 116.9 | ||||
| 36 | G | 26.7 | Very low | 32.8 | Very low | 75 Ų | 75 | 125.9 Ų | 125.9 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | cis | 160.5 | 144.6 | -10.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 37 | G | 29.4 | Very low | 33 | Very low | 77 Ų | 77 | 125.9 Ų | 125.9 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | trans | 78.5 | 146.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 38 | D | 30.5 | Very low | 33 | Very low | 149 Ų | 149 | 124 Ų | 124 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | cis | -160.6 | 150.6 | -2.5 | -136.1 | -36.5 | 0 | 0 | 0 | 112.9 | ||||
| 39 | S | 35.2 | Very low | 32.9 | Very low | 97 Ų | 97 | 128.9 Ų | 128.9 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | trans | 42.6 | 133.6 | 151.2 | -63.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 40 | V | 36.2 | Very low | 33 | Very low | 140 Ų | 140 | 130.1 Ų | 130.1 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | cis | -157.5 | -178.1 | 25.5 | -122.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 41 | A | 34.2 | Very low | 33.8 | Very low | 80 Ų | 80 | 129.6 Ų | 129.6 | 66% | 0.661 | 77% | 0.772 | S | S | * | * | cis | -161.4 | -175.1 | 5.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 42 | C | 33.8 | Very low | 34.3 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 88% | 0.878 | 77% | 0.771 | S | S | * | * | trans | 59.9 | 92.3 | 159.9 | -69.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 43 | A | 33.6 | Very low | 34.5 | Very low | 91 Ų | 91 | 132 Ų | 132 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | -103.3 | -174 | 147.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 44 | P | 48.9 | Very low | 34.7 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | cis | -139.4 | 146.4 | 20.5 | 42.8 | -22.4 | 0 | 0 | 0 | 117.8 | ||||
| 45 | V | 35.5 | Very low | 34.9 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 58% | 0.582 | 77% | 0.766 | S | S | * | * | 70 | 119.7 | 101.5 | -173.6 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 46 | S | 32.6 | Very low | 35.3 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | 174.7 | 161.4 | 102.8 | -68.5 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 47 | H | 35.7 | Very low | 36.2 | Very low | 148 Ų | 148 | 129.8 Ų | 129.8 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | cis | 178.1 | 179.1 | -42.2 | -102.2 | 9.5 | 0 | 0 | 0 | 108.2 | ||||
| 48 | Y | 33.3 | Very low | 36.5 | Very low | 197 Ų | 197 | 135.4 Ų | 135.4 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | 81.7 | 128.5 | 177.4 | -67 | -101.9 | 0 | 0 | 0 | 116.2 | ||||
| 49 | R | 41.3 | Very low | 36.8 | Very low | 207 Ų | 207 | 136.5 Ų | 136.5 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | cis | -154.7 | 131.4 | -5.1 | -143.7 | -179 | -152.3 | -175.4 | 6.2 | 111 | ||||
| 50 | T | 32.5 | Very low | 36.8 | Very low | 134 Ų | 134 | 136.1 Ų | 136.1 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | -107.8 | 138 | 164.4 | -50.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 51 | V | 45.2 | Very low | 36.8 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | trans | -128.7 | 155.9 | 157.2 | -69.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 52 | K | 36.9 | Very low | 37.2 | Very low | 180 Ų | 180 | 139.2 Ų | 139.2 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | -139.7 | 164.1 | -159.8 | -159.2 | -169.5 | 176.1 | 179.5 | 0 | 109.1 | ||||
| 53 | N | 34 | Very low | 37.6 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | 81.6 | 149.3 | 168.2 | -55.5 | -10.1 | 0 | 0 | 0 | 115.4 | ||||
| 54 | V | 35.4 | Very low | 38.4 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 76% | 0.758 | 77% | 0.768 | S | S | * | * | cis | -161.6 | 147.5 | -10 | 124.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 55 | D | 32.5 | Very low | 37.9 | Very low | 143 Ų | 143 | 143.6 Ų | 143.6 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | trans | 29 | 123.2 | 149.1 | -160.7 | 30.3 | 0 | 0 | 0 | 122.2 | ||||
| 56 | S | 37.9 | Very low | 38.2 | Very low | 117 Ų | 117 | 147.1 Ų | 147.1 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | -174.2 | 152.3 | 129.4 | -82.6 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 57 | S | 44.9 | Very low | 38.6 | Very low | 119 Ų | 119 | 146.8 Ų | 146.8 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -97.1 | 133 | -177.3 | 174.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 58 | E | 36.1 | Very low | 39.1 | Very low | 195 Ų | 195 | 143.8 Ų | 143.8 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | trans | -150.9 | 168.7 | 156.4 | 60.9 | -167.8 | 137.1 | 0 | 0 | 112.7 | ||||
| 59 | E | 36.6 | Very low | 39.5 | Very low | 172 Ų | 172 | 143.2 Ų | 143.2 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -98.3 | -177.5 | -156.3 | -159 | -133.8 | 132.1 | 0 | 0 | 113.3 | ||||
| 60 | S | 35.9 | Very low | 39.3 | Very low | 89 Ų | 89 | 144 Ų | 144 | 62% | 0.622 | 79% | 0.793 | S | S | * | * | trans | 96.2 | 106.1 | 150.1 | 78.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 61 | V | 36.6 | Very low | 40.1 | Very low | 136 Ų | 136 | 146.6 Ų | 146.6 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | 32.3 | 124.9 | 143.2 | -68.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 62 | D | 42.1 | Very low | 40.3 | Very low | 149 Ų | 149 | 151.4 Ų | 151.4 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -66.7 | 133.5 | 155.5 | -179.5 | 32.3 | 0 | 0 | 0 | 112.1 | ||||
| 63 | S | 41.8 | Very low | 40.6 | Very low | 108 Ų | 108 | 152.3 Ų | 152.3 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -165.4 | 117 | 163.7 | -170.9 | 0 | 0 | 0 | 0 | 111.8 | E65 | S63-E65 PolarHBondContact O-N 2.74Š| ||
| 64 | D | 51.1 | Low | 41.5 | Very low | 143 Ų | 143 | 157.3 Ų | 157.3 | 77% | 0.765 | 81% | 0.809 | S | S | * | * | trans | -65.5 | 121.5 | 179.3 | -66.3 | -73.3 | 0 | 0 | 0 | 114.1 | ||||
| 65 | E | 38.5 | Very low | 42 | Very low | 175 Ų | 175 | 159.6 Ų | 159.6 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -151.2 | 100.5 | 154 | -72.8 | -60.4 | 173.4 | 0 | 0 | 110.5 | S63 | S63-E65 PolarHBondContact O-N 2.74Š| ||
| 66 | D | 41.9 | Very low | 42.4 | Very low | 170 Ų | 170 | 162.2 Ų | 162.2 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | -164.7 | 137.3 | 124.4 | -133.1 | -30.9 | 0 | 0 | 0 | 113.8 | |||||
| 67 | C | 40.6 | Very low | 42.5 | Very low | 107 Ų | 107 | 162.2 Ų | 162.2 | 72% | 0.723 | 81% | 0.814 | S | S | * | * | trans | -108.9 | 139.5 | -171.7 | -143.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 68 | S | 45.3 | Very low | 42.4 | Very low | 84 Ų | 84 | 164.2 Ų | 164.2 | 59% | 0.587 | 82% | 0.815 | S | S | * | * | trans | 80 | 57.4 | 157.5 | -54.2 | 0 | 0 | 0 | 0 | 120.8 | W70 | S68-W70 PolarHBondContact O-N 3.24Š| ||
| 69 | L | 41.9 | Very low | 42.7 | Very low | 185 Ų | 185 | 162.1 Ų | 162.1 | 97% | 0.969 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 12 | 173.4 | -86.5 | 170.4 | 0 | 0 | 0 | 118 | ||
| 70 | W | 38.1 | Very low | 43.5 | Very low | 225 Ų | 225 | 159.7 Ų | 159.7 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | 5.7 | -175.6 | 51.8 | -75 | 0 | 0 | 0 | 116.4 | S68 R72 | S68-W70 PolarHBondContact O-N 3.24Å; W70-R72 PolarHBondContact O-N 3.47Å; W70-R72 VanDerWaalsContact O-N 3.13Å |
| 71 | K | 49.2 | Very low | 44.1 | Very low | 188 Ų | 188 | 161 Ų | 161 | 82% | 0.817 | 82% | 0.816 | S | S | * | * | trans | -86.6 | 78.8 | 175.2 | -66.8 | -144.9 | 177.1 | -179.5 | 0 | 113.1 | K73 | K71-K73 PolarHBondContact O-N 2.97Š| ||
| 72 | R | 48 | Very low | 44.5 | Very low | 238 Ų | 238 | 160.5 Ų | 160.5 | 90% | 0.898 | 82% | 0.815 | S | S | * | * | trans | -66.9 | 86.8 | 173.8 | -158.3 | -174 | -56.5 | 152.4 | 4.7 | 111.8 | W70 R74 | W70-R72 PolarHBondContact O-N 3.47Å; W70-R72 VanDerWaalsContact O-N 3.13Å; R72-R74 PolarHBondContact O-N 2.84Å | ||
| 73 | K | 45.1 | Very low | 44.5 | Very low | 199 Ų | 199 | 163 Ų | 163 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | trans | -66.7 | 114.2 | 174.4 | -172.2 | 170.8 | -178.5 | 177.6 | 0 | 109.6 | K71 Q75 | K71-K73 PolarHBondContact O-N 2.97Å; K73-Q75 PolarHBondContact O-N 3.06Å; K73-Q75 VanDerWaalsContact O-N 3.09Å | ||
| 74 | R | 51.5 | Low | 44.3 | Very low | 236 Ų | 236 | 163.8 Ų | 163.8 | 89% | 0.891 | 82% | 0.821 | S | S | * | * | trans | -68.8 | 105.4 | 176.2 | -81.7 | -179.6 | 144.7 | -111.5 | -3 | 110.5 | R72 | R72-R74 PolarHBondContact O-N 2.84Š| ||
| 75 | Q | 45.8 | Very low | 43.8 | Very low | 174 Ų | 174 | 165.6 Ų | 165.6 | 81% | 0.813 | 83% | 0.825 | S | S | * | * | trans | -64.2 | 128.3 | 167.7 | -174.8 | 167 | -19.7 | 0 | 0 | 109.4 | K73 C77 | K73-Q75 PolarHBondContact O-N 3.06Å; K73-Q75 VanDerWaalsContact O-N 3.09Å; Q75-C77 PolarHBondContact O-N 3.02Å | ||
| 76 | K | 40.9 | Very low | 43.9 | Very low | 198 Ų | 198 | 163.2 Ų | 163.2 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | trans | -82.1 | 102.9 | 175.8 | -70.9 | -178.9 | 177.3 | -179.4 | 0 | 108.7 | L78 | K76-L78 PolarHBondContact O-N 2.68Š| ||
| 77 | C | 41.3 | Very low | 43.4 | Very low | 117 Ų | 117 | 164.9 Ų | 164.9 | 79% | 0.791 | 82% | 0.824 | S | S | * | * | trans | -78.1 | 116.9 | 168.9 | -57.1 | 0 | 0 | 0 | 0 | 109.3 | Q75 | Q75-C77 PolarHBondContact O-N 3.02Š| ||
| 78 | L | 41.7 | Very low | 43.7 | Very low | 160 Ų | 160 | 165.3 Ų | 165.3 | 84% | 0.838 | 83% | 0.826 | S | S | * | * | trans | -88.8 | 103.5 | 167.8 | -73.4 | 167.4 | 0 | 0 | 0 | 108.3 | K76 | K76-L78 PolarHBondContact O-N 2.68Š| ||
| 79 | N | 43.1 | Very low | 43 | Very low | 152 Ų | 152 | 171.4 Ų | 171.4 | 81% | 0.813 | 84% | 0.842 | S | S | * | * | trans | 160 | 124.9 | 147.1 | -83.6 | -16.6 | 0 | 0 | 0 | 110.1 | ||||
| 80 | P | 53 | Low | 42.5 | Very low | 120 Ų | 120 | 165.6 Ų | 165.6 | 78% | 0.779 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 140.3 | 170.8 | 34.1 | -30.9 | 0 | 0 | 0 | 111.8 | ||
| 81 | P | 48.4 | Very low | 42.6 | Very low | 118 Ų | 118 | 164 Ų | 164 | 77% | 0.766 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 156.9 | 164.8 | 31.7 | -33.5 | 0 | 0 | 0 | 111.3 | ||
| 82 | P | 45.4 | Very low | 41.8 | Very low | 125 Ų | 125 | 160.5 Ų | 160.5 | 81% | 0.812 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 154.6 | -176.1 | 28.5 | -35 | 0 | 0 | 0 | 113.5 | ||
| 83 | K | 41.8 | Very low | 41.3 | Very low | 202 Ų | 202 | 154.9 Ų | 154.9 | 88% | 0.878 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 141.6 | 176.8 | -61.5 | 173.2 | 179.6 | 174.3 | 0 | 111.3 | ||
| 84 | P | 38.8 | Very low | 41.4 | Very low | 123 Ų | 123 | 155 Ų | 155 | 80% | 0.799 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 152.2 | 154.9 | 33 | -31.3 | 0 | 0 | 0 | 111.5 | ||
| 85 | E | 38.8 | Very low | 40.7 | Very low | 182 Ų | 182 | 153.3 Ų | 153.3 | 85% | 0.85 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 159.2 | 177.4 | -76.6 | -172.9 | 132.2 | 0 | 0 | 113.6 | ||
| 86 | P | 41.8 | Very low | 40.4 | Very low | 125 Ų | 125 | 151.8 Ų | 151.8 | 81% | 0.812 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 123.1 | -179.8 | 32.6 | -33.1 | 0 | 0 | 0 | 112.8 | ||
| 87 | F | 31.8 | Very low | 40.2 | Very low | 204 Ų | 204 | 147.1 Ų | 147.1 | 90% | 0.895 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 133.1 | 160.3 | -90.5 | -93.4 | 0 | 0 | 0 | 110.3 | ||
| 88 | P | 45.7 | Very low | 40.1 | Very low | 117 Ų | 117 | 148.9 Ų | 148.9 | 76% | 0.76 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 129.6 | 177.2 | 33.5 | -31.4 | 0 | 0 | 0 | 111.5 | ||
| 89 | F | 30.9 | Very low | 39.9 | Very low | 211 Ų | 211 | 148.9 Ų | 148.9 | 93% | 0.925 | 83% | 0.831 | S | S | * | * | trans | -151.7 | 137.3 | 165.3 | -163.4 | -97.3 | 0 | 0 | 0 | 112.7 | ||||
| 90 | G | 32.5 | Very low | 40 | Very low | 63 Ų | 63 | 146 Ų | 146 | 65% | 0.649 | 84% | 0.837 | S | S | * | * | trans | 78.9 | 103.5 | 155.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 91 | Q | 39.6 | Very low | 39.4 | Very low | 192 Ų | 192 | 143.7 Ų | 143.7 | 90% | 0.897 | 84% | 0.835 | S | S | * | * | trans | -76.8 | 175.3 | 161.4 | -72.6 | 176.6 | -34.6 | 0 | 0 | 111.9 | ||||
| 92 | S | 32.2 | Very low | 39.8 | Very low | 115 Ų | 115 | 149.9 Ų | 149.9 | 80% | 0.804 | 84% | 0.843 | S | S | * | * | trans | 74.6 | 96.4 | 162.9 | 70.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 93 | S | 37.1 | Very low | 40.9 | Very low | 120 Ų | 120 | 153.6 Ų | 153.6 | 84% | 0.839 | 85% | 0.847 | S | S | * | * | -167.5 | 124.2 | 115.8 | -80.6 | 0 | 0 | 0 | 0 | 109.6 | K95 | S93-K95 PolarHBondContact O-N 3.47Š| |||
| 94 | Q | 47.1 | Very low | 42.1 | Very low | 201 Ų | 201 | 150.1 Ų | 150.1 | 94% | 0.939 | 84% | 0.842 | S | S | * | * | trans | -67.1 | 128.7 | -178.6 | -70.1 | 168.3 | -58.4 | 0 | 0 | 111 | ||||
| 95 | K | 37.5 | Very low | 43.7 | Very low | 201 Ų | 201 | 150.5 Ų | 150.5 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | trans | -134.7 | 132.3 | 156.5 | -74 | -165.8 | 174.4 | -177.8 | 0 | 110.2 | S93 | S93-K95 PolarHBondContact O-N 3.47Š| ||
| 96 | T | 39.5 | Very low | 45.5 | Very low | 141 Ų | 141 | 146.7 Ų | 146.7 | 87% | 0.865 | 82% | 0.823 | S | S | * | * | trans | -58.6 | 134.7 | 175.4 | 34 | 0 | 0 | 0 | 0 | 110.9 | L98 | T96-L98 PolarHBondContact O-N 2.73Š| ||
| 97 | A | 37 | Very low | 47.2 | Very low | 100 Ų | 100 | 145.3 Ų | 145.3 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | trans | -82.4 | 111.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 98 | L | 38.1 | Very low | 49.1 | Very low | 155 Ų | 155 | 146.3 Ų | 146.3 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | -133.4 | 123.9 | 160.3 | -73.9 | 178.3 | 0 | 0 | 0 | 110.7 | T96 | T96-L98 PolarHBondContact O-N 2.73Š| ||
| 99 | N | 37.5 | Very low | 50.7 | Low | 159 Ų | 159 | 141.8 Ų | 141.8 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | 50.6 | 118.9 | 164.2 | -64.9 | 15.1 | 0 | 0 | 0 | 119.4 | ||||
| 100 | G | 45 | Very low | 52.9 | Low | 92 Ų | 92 | 134.1 Ų | 134.1 | 95% | 0.948 | 76% | 0.756 | S | S | * | * | trans | -74.7 | 135.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 101 | G | 41.1 | Very low | 55.2 | Low | 71 Ų | 71 | 133.9 Ų | 133.9 | 73% | 0.732 | 74% | 0.742 | S | S | * | * | trans | -169.1 | 128.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | K103 | G101-K103 PolarHBondContact O-N 2.97Š| ||
| 102 | R | 57.2 | Low | 57 | Low | 249 Ų | 249 | 130 Ų | 130 | 94% | 0.94 | 73% | 0.726 | S | S | * | * | trans | -70.9 | 104.1 | 178.4 | -76.5 | -169.5 | -75.5 | -126.5 | 0.5 | 109.1 | V104 | R102-V104 PolarHBondContact O-N 3.48Å; R102-V104 VanDerWaalsContact O-N 3.12Å | ||
| 103 | K | 68 | Low | 59.2 | Low | 203 Ų | 203 | 130.7 Ų | 130.7 | 88% | 0.883 | 72% | 0.717 | S | S | * | * | trans | -62.7 | 109.9 | 178.4 | -160.6 | 174.7 | -173.9 | -178.2 | 0 | 108.9 | G101 | G101-K103 PolarHBondContact O-N 2.97Š| ||
| 104 | V | 67.8 | Low | 61 | Low | 128 Ų | 128 | 130.6 Ų | 130.6 | 78% | 0.776 | 70% | 0.703 | S | S | * | * | trans | -64 | 143.1 | 173 | -156.5 | 0 | 0 | 0 | 0 | 107.7 | R102 N106 | R102-V104 PolarHBondContact O-N 3.48Å; R102-V104 VanDerWaalsContact O-N 3.12Å; V104-N106 PolarHBondContact O-N 3.41Å | ||
| 105 | N | 71.6 | Confident | 62.2 | Low | 131 Ų | 131 | 127 Ų | 127 | 70% | 0.701 | 69% | 0.686 | S | S | * | * | trans | -70.6 | 85.9 | -167.2 | -164.6 | 16.6 | 0 | 0 | 0 | 112.3 | I107 | N105-I107 VanDerWaalsContact C-N 3.32Å; N105-I107 WeakPolarHBondContact ND2-CD1 3.43Å; N105-I107 PolarHBondContact O-N 3.02Å; N105-I107 WeakPolarHBondContact OD1-CD1 3.47Å; N105-I107 WeakPolarHBondContact OD1-CG1 3.27Å | ||
| 106 | N | 77.3 | Confident | 64 | Low | 103 Ų | 103 | 122 Ų | 122 | 55% | 0.551 | 67% | 0.67 | S | S | * | * | trans | -92.9 | 43.2 | -168.8 | -162 | 33.6 | 0 | 0 | 0 | 113.1 | V104 W108 G109 A110 | V104-N106 PolarHBondContact O-N 3.41Å; N106-W108 PolarHBondContact O-N 2.93Å; N106-G109 PolarHBondContact O-N 3.26Å; N106-A110 WeakPolarHBondContact O-CB 3.44Å; N106-A110 PolarHBondContact O-N 3.27Å | ||
| 107 | I | 76.2 | Confident | 65.5 | Low | 95 Ų | 95 | 121.6 Ų | 121.6 | 49% | 0.487 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -58.7 | -49.2 | -178.6 | -63.1 | 161 | 0 | 0 | 0 | 110.1 | N105 G109 A110 V111 | N105-I107 VanDerWaalsContact C-N 3.32Å; N105-I107 WeakPolarHBondContact ND2-CD1 3.43Å; N105-I107 PolarHBondContact O-N 3.02Å; N105-I107 WeakPolarHBondContact OD1-CD1 3.47Å; N105-I107 WeakPolarHBondContact OD1-CG1 3.27Å; I107-G109 PolarHBondContact O-N 3.36Å; I107-A110 PolarHBondContact O-N 3.13Å; I107-V111 HydrophobicContact CG2-CG2 4.38Å; I107-V111 WeakPolarHBondContact O-CG2 3.28Å; I107-V111 PolarHBondContact O-N 2.84Å |
| 108 | W | 72.2 | Confident | 66.8 | Low | 225 Ų | 225 | 121.6 Ų | 121.6 | 85% | 0.852 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -62.6 | -40 | 179.5 | -62.9 | 94.5 | 0 | 0 | 0 | 113 | N106 L112 | N106-W108 PolarHBondContact O-N 2.93Å; W108-L112 VanDerWaalsContact O-CB 3.24Å; W108-L112 WeakPolarHBondContact O-CB 3.32Å; W108-L112 PolarHBondContact O-N 3.41Å |
| 109 | G | 78.8 | Confident | 68.4 | Low | 23 Ų | 23 | 116.6 Ų | 116.6 | 24% | 0.237 | 62% | 0.624 | C | S | . | * | H | α-helix | trans | -69.3 | -34.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | N106 I107 Q113 | N106-G109 PolarHBondContact O-N 3.26Å; I107-G109 PolarHBondContact O-N 3.36Å; G109-Q113 WeakPolarHBondContact O-CB 2.99Å; G109-Q113 PolarHBondContact O-N 3.41Å |
| 110 | A | 78.3 | Confident | 70 | Confident | 49 Ų | 49 | 112.8 Ų | 112.8 | 41% | 0.405 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -69.5 | -48.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N106 I107 L112 Q113 E114 | N106-A110 WeakPolarHBondContact O-CB 3.44Å; N106-A110 PolarHBondContact O-N 3.27Å; I107-A110 PolarHBondContact O-N 3.13Å; A110-L112 PolarHBondContact O-N 3.48Å; A110-Q113 PolarHBondContact O-N 3.23Å; A110-E114 WeakPolarHBondContact O-CB 3.49Å; A110-E114 PolarHBondContact O-N 3.17Å |
| 111 | V | 79.8 | Confident | 71.1 | Confident | 59 Ų | 59 | 111.1 Ų | 111.1 | 36% | 0.358 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.8 | -41.1 | 178.1 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | I107 Q113 E114 Q115 | I107-V111 HydrophobicContact CG2-CG2 4.38Å; I107-V111 WeakPolarHBondContact O-CG2 3.28Å; I107-V111 PolarHBondContact O-N 2.84Å; V111-Q113 VanDerWaalsContact C-N 3.32Å; V111-Q113 PolarHBondContact O-N 3.13Å; V111-E114 PolarHBondContact O-N 2.95Å; V111-Q115 HydrophobicContact CG1-CG 4.48Å; V111-Q115 WeakPolarHBondContact O-CB 3.37Å; V111-Q115 WeakPolarHBondContact O-CG 3.33Å; V111-Q115 PolarHBondContact O-N 2.95Å |
| 112 | L | 79 | Confident | 72.5 | Confident | 110 Ų | 110 | 112.7 Ų | 112.7 | 58% | 0.576 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67 | -34.2 | 176.3 | -175.2 | 65.8 | 0 | 0 | 0 | 112.4 | W108 A110 N116 | W108-L112 VanDerWaalsContact O-CB 3.24Å; W108-L112 WeakPolarHBondContact O-CB 3.32Å; W108-L112 PolarHBondContact O-N 3.41Å; A110-L112 PolarHBondContact O-N 3.48Å; L112-N116 WeakPolarHBondContact O-CB 3.46Å; L112-N116 PolarHBondContact O-N 3.28Å; L112-N116 VanDerWaalsContact O-N 3.13Å; L112-N116 PolarHBondContact O-ND2 3.4Å |
| 113 | Q | 76.6 | Confident | 72.9 | Confident | 130 Ų | 130 | 107 Ų | 107 | 61% | 0.607 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -70.8 | -44.5 | 175.8 | -176.4 | 168.7 | 17.9 | 0 | 0 | 111.2 | G109 A110 V111 N116 Q117 | G109-Q113 WeakPolarHBondContact O-CB 2.99Å; G109-Q113 PolarHBondContact O-N 3.41Å; A110-Q113 PolarHBondContact O-N 3.23Å; V111-Q113 VanDerWaalsContact C-N 3.32Å; V111-Q113 PolarHBondContact O-N 3.13Å; Q113-N116 PolarHBondContact O-N 3.18Å; Q113-Q117 WeakPolarHBondContact O-CB 3.43Å; Q113-Q117 PolarHBondContact O-N 3.4Å |
| 114 | E | 75.8 | Confident | 72.7 | Confident | 118 Ų | 118 | 101 Ų | 101 | 55% | 0.551 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.3 | -51 | 175.3 | -173.8 | 171.2 | -157.1 | 0 | 0 | 111.1 | A110 V111 N116 Q117 D118 | A110-E114 WeakPolarHBondContact O-CB 3.49Å; A110-E114 PolarHBondContact O-N 3.17Å; V111-E114 PolarHBondContact O-N 2.95Å; E114-N116 VanDerWaalsContact C-N 3.34Å; E114-N116 PolarHBondContact O-N 3.36Å; E114-Q117 WeakPolarHBondContact O-CB 3.46Å; E114-Q117 PolarHBondContact O-N 2.91Å; E114-D118 PolarHBondContact O-N 2.88Å |
| 115 | Q | 72.4 | Confident | 72.4 | Confident | 125 Ų | 125 | 96.7 Ų | 96.7 | 58% | 0.584 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.7 | -34.8 | 177.2 | -72.5 | -179.5 | -24 | 0 | 0 | 113.8 | V111 A119 | V111-Q115 HydrophobicContact CG1-CG 4.48Å; V111-Q115 WeakPolarHBondContact O-CB 3.37Å; V111-Q115 WeakPolarHBondContact O-CG 3.33Å; V111-Q115 PolarHBondContact O-N 2.95Å; Q115-A119 WeakPolarHBondContact O-CB 3.41Å; Q115-A119 PolarHBondContact O-N 2.95Å |
| 116 | N | 74.4 | Confident | 71.9 | Confident | 97 Ų | 97 | 96.4 Ų | 96.4 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -72.8 | -33.4 | 171.6 | -95.7 | -94.2 | 0 | 0 | 0 | 112.3 | L112 Q113 E114 A119 V120 | L112-N116 WeakPolarHBondContact O-CB 3.46Å; L112-N116 PolarHBondContact O-N 3.28Å; L112-N116 VanDerWaalsContact O-N 3.13Å; L112-N116 PolarHBondContact O-ND2 3.4Å; Q113-N116 PolarHBondContact O-N 3.18Å; E114-N116 VanDerWaalsContact C-N 3.34Å; E114-N116 PolarHBondContact O-N 3.36Å; N116-A119 PolarHBondContact O-N 3.19Å; N116-V120 WeakPolarHBondContact O-CB 3.45Å; N116-V120 VanDerWaalsContact O-CG2 3.22Å; N116-V120 WeakPolarHBondContact O-CG2 3.36Å; N116-V120 PolarHBondContact O-N 2.67Å |
| 117 | Q | 70.9 | Confident | 70.9 | Confident | 132 Ų | 132 | 98 Ų | 98 | 62% | 0.617 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -70.5 | -39.8 | -177.9 | -167.6 | 165.2 | 3.4 | 0 | 0 | 111.1 | Q113 E114 A121 | Q113-Q117 WeakPolarHBondContact O-CB 3.43Å; Q113-Q117 PolarHBondContact O-N 3.4Å; E114-Q117 WeakPolarHBondContact O-CB 3.46Å; E114-Q117 PolarHBondContact O-N 2.91Å; Q117-A121 VanDerWaalsContact O-CB 3.3Å; Q117-A121 WeakPolarHBondContact O-CB 3.5Å; Q117-A121 PolarHBondContact O-N 3.15Å |
| 118 | D | 65.8 | Low | 69.8 | Low | 100 Ų | 100 | 96.2 Ų | 96.2 | 54% | 0.535 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.2 | -43.5 | 171.9 | -70.8 | -16.3 | 0 | 0 | 0 | 111.7 | E114 A121 I122 | E114-D118 PolarHBondContact O-N 2.88Å; D118-A121 PolarHBondContact O-N 2.97Å; D118-I122 WeakPolarHBondContact O-CB 3.48Å; D118-I122 WeakPolarHBondContact O-CD1 3.25Å; D118-I122 VanDerWaalsContact O-CG1 3.25Å; D118-I122 WeakPolarHBondContact O-CG1 3.38Å; D118-I122 PolarHBondContact O-N 3.5Å |
| 119 | A | 71.1 | Confident | 69.2 | Low | 49 Ų | 49 | 90.4 Ų | 90.4 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q115 N116 A121 I122 E123 | Q115-A119 WeakPolarHBondContact O-CB 3.41Å; Q115-A119 PolarHBondContact O-N 2.95Å; N116-A119 PolarHBondContact O-N 3.19Å; A119-A121 VanDerWaalsContact C-N 3.35Å; A119-A121 PolarHBondContact O-N 3.28Å; A119-I122 PolarHBondContact O-N 3.08Å; A119-E123 WeakPolarHBondContact O-CG 3.3Å; A119-E123 PolarHBondContact O-N 3.44Å |
| 120 | V | 70.6 | Confident | 68.2 | Low | 79 Ų | 79 | 98 Ų | 98 | 48% | 0.479 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.8 | -37.5 | 176.5 | 168.3 | 0 | 0 | 0 | 0 | 111.5 | N116 L124 | N116-V120 WeakPolarHBondContact O-CB 3.45Å; N116-V120 VanDerWaalsContact O-CG2 3.22Å; N116-V120 WeakPolarHBondContact O-CG2 3.36Å; N116-V120 PolarHBondContact O-N 2.67Å; V120-L124 HydrophobicContact CG1-CD1 3.79Å; V120-L124 HydrophobicContact CG1-CG 4.38Å; V120-L124 WeakPolarHBondContact O-CB 3.48Å; V120-L124 WeakPolarHBondContact O-CD1 3.26Å; V120-L124 WeakPolarHBondContact O-CG 3.46Å; V120-L124 PolarHBondContact O-N 3.06Å |
| 121 | A | 69.4 | Low | 67 | Low | 58 Ų | 58 | 97.9 Ų | 97.9 | 48% | 0.479 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.8 | -39.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q117 D118 A119 L124 G125 | Q117-A121 VanDerWaalsContact O-CB 3.3Å; Q117-A121 WeakPolarHBondContact O-CB 3.5Å; Q117-A121 PolarHBondContact O-N 3.15Å; D118-A121 PolarHBondContact O-N 2.97Å; A119-A121 VanDerWaalsContact C-N 3.35Å; A119-A121 PolarHBondContact O-N 3.28Å; A121-L124 PolarHBondContact O-N 3.38Å; A121-G125 PolarHBondContact O-N 3Å |
| 122 | I | 69.3 | Low | 66 | Low | 103 Ų | 103 | 102.1 Ų | 102.1 | 53% | 0.528 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65 | -46.6 | 175.1 | -70.7 | 164 | 0 | 0 | 0 | 110.7 | D118 A119 L124 G125 I126 | D118-I122 WeakPolarHBondContact O-CB 3.48Å; D118-I122 WeakPolarHBondContact O-CD1 3.25Å; D118-I122 VanDerWaalsContact O-CG1 3.25Å; D118-I122 WeakPolarHBondContact O-CG1 3.38Å; D118-I122 PolarHBondContact O-N 3.5Å; A119-I122 PolarHBondContact O-N 3.08Å; I122-L124 PolarHBondContact O-N 2.88Å; I122-G125 PolarHBondContact O-N 3.44Å; I122-I126 HydrophobicContact CG2-CD1 3.62Å; I122-I126 HydrophobicContact CG2-CG1 4.35Å; I122-I126 WeakPolarHBondContact O-CB 3.34Å; I122-I126 VanDerWaalsContact O-CG1 3.27Å; I122-I126 WeakPolarHBondContact O-CG1 3.45Å; I122-I126 PolarHBondContact O-N 3.12Å |
| 123 | E | 65.3 | Low | 64.8 | Low | 129 Ų | 129 | 103.2 Ų | 103.2 | 60% | 0.603 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63 | -39 | 176.7 | -68.3 | -67.6 | 159.8 | 0 | 0 | 112.2 | A119 I126 L127 | A119-E123 WeakPolarHBondContact O-CG 3.3Å; A119-E123 PolarHBondContact O-N 3.44Å; E123-I126 PolarHBondContact O-N 2.9Å; E123-L127 WeakPolarHBondContact O-CB 3.45Å; E123-L127 PolarHBondContact O-N 3.3Å |
| 124 | L | 64.8 | Low | 63.8 | Low | 78 Ų | 78 | 102.7 Ų | 102.7 | 41% | 0.408 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.1 | -38.5 | 173.4 | -74.8 | 165 | 0 | 0 | 0 | 112.3 | V120 A121 I122 M129 | V120-L124 HydrophobicContact CG1-CD1 3.79Å; V120-L124 HydrophobicContact CG1-CG 4.38Å; V120-L124 WeakPolarHBondContact O-CB 3.48Å; V120-L124 WeakPolarHBondContact O-CD1 3.26Å; V120-L124 WeakPolarHBondContact O-CG 3.46Å; V120-L124 PolarHBondContact O-N 3.06Å; A121-L124 PolarHBondContact O-N 3.38Å; I122-L124 PolarHBondContact O-N 2.88Å; L124-M129 HydrophobicContact CD2-CE 3.99Å; L124-M129 HydrophobicContact CD2-SD 3.53Å; L124-M129 VanDerWaalsContact CD2-SD 3.53Å; L124-M129 PolarHBondContact O-N 3.37Å |
| 125 | G | 60.5 | Low | 62.9 | Low | 38 Ų | 38 | 106.9 Ų | 106.9 | 39% | 0.392 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.3 | -40.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | A121 I122 L127 G128 | A121-G125 PolarHBondContact O-N 3Å; I122-G125 PolarHBondContact O-N 3.44Å; G125-L127 VanDerWaalsContact C-N 3.31Å; G125-L127 PolarHBondContact O-N 3.04Å; G125-G128 PolarHBondContact O-N 2.92Å |
| 126 | I | 61.1 | Low | 62.2 | Low | 125 Ų | 125 | 105 Ų | 105 | 64% | 0.641 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.9 | -33.9 | 176.3 | -69.9 | 168.1 | 0 | 0 | 0 | 111.3 | I122 E123 G128 | I122-I126 HydrophobicContact CG2-CD1 3.62Å; I122-I126 HydrophobicContact CG2-CG1 4.35Å; I122-I126 WeakPolarHBondContact O-CB 3.34Å; I122-I126 VanDerWaalsContact O-CG1 3.27Å; I122-I126 WeakPolarHBondContact O-CG1 3.45Å; I122-I126 PolarHBondContact O-N 3.12Å; E123-I126 PolarHBondContact O-N 2.9Å; I126-G128 PolarHBondContact O-N 3.06Å; I126-G128 VanDerWaalsContact O-N 3.14Å |
| 127 | L | 56.6 | Low | 61.5 | Low | 136 Ų | 136 | 111 Ų | 111 | 71% | 0.712 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 13 | 175.8 | -163.2 | 56.8 | 0 | 0 | 0 | 113.6 | E123 G125 M129 | E123-L127 WeakPolarHBondContact O-CB 3.45Å; E123-L127 PolarHBondContact O-N 3.3Å; G125-L127 VanDerWaalsContact C-N 3.31Å; G125-L127 PolarHBondContact O-N 3.04Å; L127-M129 VanDerWaalsContact C-N 3.27Å; L127-M129 PolarHBondContact O-N 3.38Å |
| 128 | G | 54.2 | Low | 60.4 | Low | 58 Ų | 58 | 112.8 Ų | 112.8 | 60% | 0.598 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.4 | 21.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | G125 I126 E130 | G125-G128 PolarHBondContact O-N 2.92Å; I126-G128 PolarHBondContact O-N 3.06Å; I126-G128 VanDerWaalsContact O-N 3.14Å; G128-E130 PolarHBondContact O-N 2.96Å |
| 129 | M | 58.1 | Low | 59.9 | Low | 102 Ų | 102 | 112.8 Ų | 112.8 | 50% | 0.502 | 62% | 0.621 | S | S | . | * | trans | -76.7 | 5.6 | 173.8 | -69.4 | -179.4 | 54 | 0 | 0 | 113.5 | L124 L127 G131 | L124-M129 HydrophobicContact CD2-CE 3.99Å; L124-M129 HydrophobicContact CD2-SD 3.53Å; L124-M129 VanDerWaalsContact CD2-SD 3.53Å; L124-M129 PolarHBondContact O-N 3.37Å; L127-M129 VanDerWaalsContact C-N 3.27Å; L127-M129 PolarHBondContact O-N 3.38Å; M129-G131 PolarHBondContact O-N 3.02Å | ||
| 130 | E | 57.5 | Low | 59.3 | Low | 182 Ų | 182 | 118.5 Ų | 118.5 | 85% | 0.85 | 64% | 0.639 | S | S | * | * | trans | -75.4 | 51.8 | 165.7 | -159.1 | 68.8 | -138.5 | 0 | 0 | 111 | G128 | G128-E130 PolarHBondContact O-N 2.96Š| ||
| 131 | G | 54.7 | Low | 58.7 | Low | 48 Ų | 48 | 120.9 Ų | 120.9 | 50% | 0.495 | 65% | 0.654 | S | S | . | * | S | Bend | trans | -124.1 | 148.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | M129 L133 | M129-G131 PolarHBondContact O-N 3.02Å; G131-L133 PolarHBondContact O-N 3.04Å |
| 132 | T | 57.9 | Low | 58.4 | Low | 147 Ų | 147 | 126 Ų | 126 | 90% | 0.902 | 66% | 0.662 | S | S | * | * | trans | -52.9 | 102.2 | -178.2 | 49.1 | 0 | 0 | 0 | 0 | 110.8 | D134 | T132-D134 PolarHBondContact O-N 2.87Š| ||
| 133 | L | 53.9 | Low | 58.8 | Low | 134 Ų | 134 | 125 Ų | 125 | 70% | 0.702 | 66% | 0.658 | S | S | * | * | trans | -57.2 | 106.5 | 177.2 | -90.5 | 159.5 | 0 | 0 | 0 | 108.6 | G131 R135 | G131-L133 PolarHBondContact O-N 3.04Å; L133-R135 PolarHBondContact O-N 3.42Å | ||
| 134 | D | 56 | Low | 58.9 | Low | 119 Ų | 119 | 127.4 Ų | 127.4 | 64% | 0.636 | 66% | 0.663 | S | S | * | * | trans | -61.4 | 104.6 | 178.8 | 177.6 | 21 | 0 | 0 | 0 | 109.5 | T132 S136 | T132-D134 PolarHBondContact O-N 2.87Å; D134-S136 VanDerWaalsContact C-N 3.26Å; D134-S136 WeakPolarHBondContact OD1-CB 3.14Å; D134-S136 PolarHBondContact OD1-N 2.96Å; D134-S136 PolarHBondContact OD1-OG 2.62Å; D134-S136 PolarHBondContact OD2-OG 3.37Å | ||
| 135 | R | 56.1 | Low | 59.4 | Low | 205 Ų | 205 | 130.1 Ų | 130.1 | 77% | 0.774 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | 6.4 | -179.6 | -147.4 | 104.1 | 73.3 | 166.3 | 2.3 | 112.1 | L133 R137 Q138 | L133-R135 PolarHBondContact O-N 3.42Å; R135-R137 CarbonylContact O-C 3.48Å; R135-R137 PolarHBondContact O-N 2.93Å; R135-Q138 PolarHBondContact O-N 3.16Å |
| 136 | S | 58 | Low | 59.8 | Low | 86 Ų | 86 | 130.9 Ų | 130.9 | 60% | 0.601 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -37.6 | 174.8 | 73.1 | 0 | 0 | 0 | 0 | 111.6 | D134 Q138 | D134-S136 VanDerWaalsContact C-N 3.26Å; D134-S136 WeakPolarHBondContact OD1-CB 3.14Å; D134-S136 PolarHBondContact OD1-N 2.96Å; D134-S136 PolarHBondContact OD1-OG 2.62Å; D134-S136 PolarHBondContact OD2-OG 3.37Å; S136-Q138 PolarHBondContact O-N 2.95Å |
| 137 | R | 59.7 | Low | 60.4 | Low | 224 Ų | 224 | 126.8 Ų | 126.8 | 85% | 0.845 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -76.4 | 75.8 | 164.2 | -66.2 | -178.4 | -178.2 | -112.8 | -0.3 | 109 | R135 S139 | R135-R137 CarbonylContact O-C 3.48Å; R135-R137 PolarHBondContact O-N 2.93Å; R137-S139 PolarHBondContact O-N 3.15Å |
| 138 | Q | 47.7 | Very low | 61.2 | Low | 168 Ų | 168 | 126.8 Ų | 126.8 | 79% | 0.785 | 65% | 0.651 | S | S | * | * | trans | -51 | 132.2 | 170.2 | -62.7 | -169.7 | -10.5 | 0 | 0 | 108.8 | R135 S136 E140 | R135-Q138 PolarHBondContact O-N 3.16Å; S136-Q138 PolarHBondContact O-N 2.95Å; Q138-E140 PolarHBondContact O-N 3.44Å; Q138-E140 VanDerWaalsContact O-N 3.14Å | ||
| 139 | S | 55 | Low | 62.3 | Low | 100 Ų | 100 | 129.4 Ų | 129.4 | 70% | 0.699 | 65% | 0.646 | S | S | * | * | trans | -52.9 | 122.5 | -177.2 | 51.6 | 0 | 0 | 0 | 0 | 109.8 | R137 T141 | R137-S139 PolarHBondContact O-N 3.15Å; S139-T141 PolarHBondContact O-N 2.95Å; S139-T141 PolarHBondContact O-OG1 3.49Å | ||
| 140 | E | 58.9 | Low | 63 | Low | 169 Ų | 169 | 126.9 Ų | 126.9 | 79% | 0.79 | 63% | 0.634 | S | S | * | * | trans | -51.4 | 102.8 | 173.6 | -65.3 | 177.7 | -175.5 | 0 | 0 | 108.7 | Q138 Y142 | Q138-E140 PolarHBondContact O-N 3.44Å; Q138-E140 VanDerWaalsContact O-N 3.14Å; E140-Y142 VanDerWaalsContact C-N 3.27Å; E140-Y142 PolarHBondContact O-N 3.37Å | ||
| 141 | T | 59.1 | Low | 63.7 | Low | 129 Ų | 129 | 124.7 Ų | 124.7 | 79% | 0.791 | 62% | 0.622 | S | S | * | * | trans | -71.4 | 89.9 | -173 | -60.4 | 0 | 0 | 0 | 0 | 108.3 | S139 N143 | S139-T141 PolarHBondContact O-N 2.95Å; S139-T141 PolarHBondContact O-OG1 3.49Å; T141-N143 PolarHBondContact O-N 3.13Å | ||
| 142 | Y | 62 | Low | 64.7 | Low | 167 Ų | 167 | 129.3 Ų | 129.3 | 66% | 0.655 | 62% | 0.624 | S | S | * | * | trans | -60.2 | 95.7 | -175.7 | -125.7 | -93.6 | 0 | 0 | 0 | 109.2 | E140 Y144 | E140-Y142 VanDerWaalsContact C-N 3.27Å; E140-Y142 PolarHBondContact O-N 3.37Å; Y142-Y144 VanDerWaalsContact C-N 3.26Å; Y142-Y144 HydrophobicContact CD1-CE2 4.44Å; Y142-Y144 VanDerWaalsContact O-CD2 3.32Å; Y142-Y144 WeakPolarHBondContact O-CD2 3.26Å; Y142-Y144 PolarHBondContact O-N 3.05Å | ||
| 143 | N | 77.3 | Confident | 65.4 | Low | 81 Ų | 81 | 125 Ų | 125 | 43% | 0.433 | 59% | 0.594 | S | S | . | * | trans | -70.8 | 87.7 | -179.7 | -174.7 | -25.5 | 0 | 0 | 0 | 108.7 | T141 L145 L146 A147 | T141-N143 PolarHBondContact O-N 3.13Å; N143-L145 PolarHBondContact O-N 3.4Å; N143-L145 VanDerWaalsContact O-N 3.16Å; N143-L145 WeakPolarHBondContact OD1-CB 3.49Å; N143-L145 PolarHBondContact OD1-N 3.03Å; N143-L146 HydrophobicContact CB-CB 3.88Å; N143-L146 WeakPolarHBondContact O-CB 3.38Å; N143-L146 PolarHBondContact O-N 2.98Å; N143-L146 VanDerWaalsContact O-N 3.09Å; N143-L146 PolarHBondContact OD1-N 3.38Å; N143-A147 PolarHBondContact O-N 2.67Å | ||
| 144 | Y | 68.2 | Low | 66 | Low | 179 Ų | 179 | 120.3 Ų | 120.3 | 70% | 0.702 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -60.6 | -23.8 | -177.7 | -94.4 | -90.4 | 0 | 0 | 0 | 112.8 | Y142 K148 | Y142-Y144 VanDerWaalsContact C-N 3.26Å; Y142-Y144 HydrophobicContact CD1-CE2 4.44Å; Y142-Y144 VanDerWaalsContact O-CD2 3.32Å; Y142-Y144 WeakPolarHBondContact O-CD2 3.26Å; Y142-Y144 PolarHBondContact O-N 3.05Å; Y144-K148 WeakPolarHBondContact O-CB 3.39Å; Y144-K148 PolarHBondContact O-N 2.97Å |
| 145 | L | 74.6 | Confident | 66.7 | Low | 135 Ų | 135 | 119.5 Ų | 119.5 | 71% | 0.707 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -73.7 | -45.9 | 173.8 | -62.1 | 178.4 | 0 | 0 | 0 | 110.9 | N143 K148 K149 | N143-L145 PolarHBondContact O-N 3.4Å; N143-L145 VanDerWaalsContact O-N 3.16Å; N143-L145 WeakPolarHBondContact OD1-CB 3.49Å; N143-L145 PolarHBondContact OD1-N 3.03Å; L145-K148 CarbonylContact O-C 3.52Å; L145-K148 PolarHBondContact O-N 3.05Å; L145-K149 WeakPolarHBondContact O-CB 3.33Å; L145-K149 PolarHBondContact O-N 3.03Å |
| 146 | L | 70.3 | Confident | 67.6 | Low | 55 Ų | 55 | 114.9 Ų | 114.9 | 29% | 0.288 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.2 | -47.2 | 172.8 | 179.8 | 60.6 | 0 | 0 | 0 | 111.3 | N143 K148 K149 L150 F333 | N143-L146 HydrophobicContact CB-CB 3.88Å; N143-L146 WeakPolarHBondContact O-CB 3.38Å; N143-L146 PolarHBondContact O-N 2.98Å; N143-L146 VanDerWaalsContact O-N 3.09Å; N143-L146 PolarHBondContact OD1-N 3.38Å; L146-K148 VanDerWaalsContact C-N 3.28Å; L146-K148 PolarHBondContact O-N 3.02Å; L146-K149 WeakPolarHBondContact O-CB 3.31Å; L146-K149 PolarHBondContact O-N 3.43Å; L146-K149 VanDerWaalsContact O-N 3.14Å; L146-L150 HydrophobicContact CD1-CD1 4.19Å; L146-L150 HydrophobicContact CD1-CG 4.42Å; L146-L150 HydrophobicContact CG-CD1 4Å; L146-L150 WeakPolarHBondContact O-CB 3.48Å; L146-L150 WeakPolarHBondContact O-CG 3.48Å; L146-L150 PolarHBondContact O-N 3.46Å; L146-F333 HydrophobicContact CD2-CE1 4.33Å |
| 147 | A | 72 | Confident | 68.2 | Low | 39 Ų | 39 | 111.6 Ų | 111.6 | 32% | 0.322 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.4 | -37.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N143 K151 | N143-A147 PolarHBondContact O-N 2.67Å; A147-K151 WeakPolarHBondContact O-CB 3.34Å; A147-K151 PolarHBondContact O-N 2.79Å |
| 148 | K | 74.6 | Confident | 68.6 | Low | 136 Ų | 136 | 103 Ų | 103 | 59% | 0.591 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -72 | -33.6 | 175.7 | -172.8 | 176.9 | -177.4 | -179.8 | 0 | 112.8 | Y144 L145 L146 R152 | Y144-K148 WeakPolarHBondContact O-CB 3.39Å; Y144-K148 PolarHBondContact O-N 2.97Å; L145-K148 CarbonylContact O-C 3.52Å; L145-K148 PolarHBondContact O-N 3.05Å; L146-K148 VanDerWaalsContact C-N 3.28Å; L146-K148 PolarHBondContact O-N 3.02Å; K148-R152 PolarHBondContact O-N 3.23Å |
| 149 | K | 77.6 | Confident | 70 | Confident | 113 Ų | 113 | 100.5 Ų | 100.5 | 49% | 0.491 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.3 | -53.7 | 173.2 | -169.3 | 180 | -179.4 | -176.2 | 0 | 110.2 | L145 L146 K151 R152 E153 L331 | L145-K149 WeakPolarHBondContact O-CB 3.33Å; L145-K149 PolarHBondContact O-N 3.03Å; L146-K149 WeakPolarHBondContact O-CB 3.31Å; L146-K149 PolarHBondContact O-N 3.43Å; L146-K149 VanDerWaalsContact O-N 3.14Å; K149-K151 VanDerWaalsContact C-N 3.28Å; K149-K151 PolarHBondContact O-N 3.25Å; K149-R152 WeakPolarHBondContact O-CB 3.47Å; K149-R152 PolarHBondContact O-N 3.1Å; K149-E153 WeakPolarHBondContact O-CB 3.49Å; K149-E153 PolarHBondContact O-N 2.97Å; K149-L331 HydrophobicContact CD-CD2 4.37Å |
| 150 | L | 71.6 | Confident | 71 | Confident | 48 Ų | 48 | 100.4 Ų | 100.4 | 25% | 0.251 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -55.6 | -39.4 | 173.1 | -74.2 | 163.4 | 0 | 0 | 0 | 112.4 | L146 S154 I328 L331 | L146-L150 HydrophobicContact CD1-CD1 4.19Å; L146-L150 HydrophobicContact CD1-CG 4.42Å; L146-L150 HydrophobicContact CG-CD1 4Å; L146-L150 WeakPolarHBondContact O-CB 3.48Å; L146-L150 WeakPolarHBondContact O-CG 3.48Å; L146-L150 PolarHBondContact O-N 3.46Å; L150-S154 VanDerWaalsContact O-CB 3.26Å; L150-S154 WeakPolarHBondContact O-CB 3.41Å; L150-S154 PolarHBondContact O-N 3.44Å; L150-S154 PolarHBondContact O-OG 3.07Å; L150-I328 HydrophobicContact CD2-CG1 3.87Å; L150-L331 HydrophobicContact CD2-CD1 4.04Å |
| 151 | K | 72.3 | Confident | 71.4 | Confident | 137 Ų | 137 | 92.6 Ų | 92.6 | 60% | 0.596 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -68.8 | -32.9 | 175.9 | -170.8 | 170.5 | -176 | 172.8 | 0 | 113.2 | A147 K149 S154 Q155 | A147-K151 WeakPolarHBondContact O-CB 3.34Å; A147-K151 PolarHBondContact O-N 2.79Å; K149-K151 VanDerWaalsContact C-N 3.28Å; K149-K151 PolarHBondContact O-N 3.25Å; K151-S154 WeakPolarHBondContact CA-OG 3.24Å; K151-S154 PolarHBondContact O-OG 3.38Å; K151-Q155 WeakPolarHBondContact O-CB 3.17Å; K151-Q155 VanDerWaalsContact O-CG 3.28Å; K151-Q155 WeakPolarHBondContact O-CG 3.46Å; K151-Q155 PolarHBondContact O-N 3.2Å |
| 152 | R | 76.9 | Confident | 72 | Confident | 144 Ų | 144 | 89.7 Ų | 89.7 | 54% | 0.543 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -71.2 | -48.7 | 174 | -177.7 | -177 | -63.4 | 150.9 | -2.1 | 111 | K148 K149 S154 Q155 E156 | K148-R152 PolarHBondContact O-N 3.23Å; K149-R152 WeakPolarHBondContact O-CB 3.47Å; K149-R152 PolarHBondContact O-N 3.1Å; R152-S154 PolarHBondContact O-N 3.1Å; R152-Q155 CarbonylContact O-C 3.6Å; R152-Q155 WeakPolarHBondContact O-CA 3.39Å; R152-Q155 WeakPolarHBondContact O-CB 3.22Å; R152-Q155 PolarHBondContact O-N 3.09Å; R152-E156 WeakPolarHBondContact CG-OE1 3.18Å; R152-E156 PolarHBondContact O-N 2.96Å |
| 153 | E | 71.6 | Confident | 72.8 | Confident | 57 Ų | 57 | 88.6 Ų | 88.6 | 27% | 0.266 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.8 | -37.2 | -178.3 | -171.8 | 169.9 | -162 | 0 | 0 | 112.4 | K149 E156 S157 A327 | K149-E153 WeakPolarHBondContact O-CB 3.49Å; K149-E153 PolarHBondContact O-N 2.97Å; E153-E156 PolarHBondContact O-N 3.44Å; E153-S157 WeakPolarHBondContact O-CB 3.22Å; E153-S157 PolarHBondContact O-N 3.44Å; E153-S157 PolarHBondContact O-OG 3.02Å; E153-A327 HydrophobicContact CG-CB 4.33Å; E153-A327 WeakPolarHBondContact OE1-CB 3.49Å |
| 154 | S | 67.5 | Low | 72.6 | Confident | 36 Ų | 36 | 88.1 Ų | 88.1 | 25% | 0.252 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.3 | -36.1 | 168.3 | 55.1 | 0 | 0 | 0 | 0 | 112.5 | L150 K151 R152 E156 S157 T158 | L150-S154 VanDerWaalsContact O-CB 3.26Å; L150-S154 WeakPolarHBondContact O-CB 3.41Å; L150-S154 PolarHBondContact O-N 3.44Å; L150-S154 PolarHBondContact O-OG 3.07Å; K151-S154 WeakPolarHBondContact CA-OG 3.24Å; K151-S154 PolarHBondContact O-OG 3.38Å; R152-S154 PolarHBondContact O-N 3.1Å; S154-E156 VanDerWaalsContact C-N 3.31Å; S154-E156 PolarHBondContact O-N 2.92Å; S154-S157 WeakPolarHBondContact CA-OG 3.26Å; S154-S157 PolarHBondContact O-OG 3.28Å; S154-T158 VanDerWaalsContact O-CB 3.27Å; S154-T158 WeakPolarHBondContact O-CB 3.46Å; S154-T158 WeakPolarHBondContact O-CG2 3.47Å; S154-T158 PolarHBondContact O-N 3.06Å; S154-T158 PolarHBondContact O-OG1 3.28Å |
| 155 | Q | 70.4 | Confident | 72.3 | Confident | 102 Ų | 102 | 80.7 Ų | 80.7 | 48% | 0.477 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -69.4 | -24.3 | 172.1 | -80.6 | -173.4 | -4.3 | 0 | 0 | 114 | K151 R152 T158 K159 | K151-Q155 WeakPolarHBondContact O-CB 3.17Å; K151-Q155 VanDerWaalsContact O-CG 3.28Å; K151-Q155 WeakPolarHBondContact O-CG 3.46Å; K151-Q155 PolarHBondContact O-N 3.2Å; R152-Q155 CarbonylContact O-C 3.6Å; R152-Q155 WeakPolarHBondContact O-CA 3.39Å; R152-Q155 WeakPolarHBondContact O-CB 3.22Å; R152-Q155 PolarHBondContact O-N 3.09Å; Q155-T158 VanDerWaalsContact CA-OG1 3.3Å; Q155-T158 WeakPolarHBondContact CA-OG1 3.44Å; Q155-T158 PolarHBondContact O-OG1 3.13Å; Q155-K159 WeakPolarHBondContact O-CD 3.39Å; Q155-K159 WeakPolarHBondContact O-CE 3.45Å; Q155-K159 WeakPolarHBondContact O-CG 3.37Å |
| 156 | E | 75 | Confident | 72 | Confident | 107 Ų | 107 | 78.7 Ų | 78.7 | 50% | 0.5 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -85.1 | -48.3 | 177.6 | -76.4 | 159.2 | -168.4 | 0 | 0 | 110.6 | R152 E153 S154 T158 K159 E160 | R152-E156 WeakPolarHBondContact CG-OE1 3.18Å; R152-E156 PolarHBondContact O-N 2.96Å; E153-E156 PolarHBondContact O-N 3.44Å; S154-E156 VanDerWaalsContact C-N 3.31Å; S154-E156 PolarHBondContact O-N 2.92Å; E156-T158 VanDerWaalsContact C-N 3.34Å; E156-T158 PolarHBondContact O-N 2.82Å; E156-K159 PolarHBondContact O-N 2.93Å; E156-K159 VanDerWaalsContact O-N 3.15Å; E156-E160 PolarHBondContact O-N 2.95Å |
| 157 | S | 69.9 | Low | 72.2 | Confident | 18 Ų | 18 | 82.4 Ų | 82.4 | 13% | 0.126 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.7 | -32 | 173.6 | 56.4 | 0 | 0 | 0 | 0 | 113.9 | E153 S154 L161 | E153-S157 WeakPolarHBondContact O-CB 3.22Å; E153-S157 PolarHBondContact O-N 3.44Å; E153-S157 PolarHBondContact O-OG 3.02Å; S154-S157 WeakPolarHBondContact CA-OG 3.26Å; S154-S157 PolarHBondContact O-OG 3.28Å; S157-L161 WeakPolarHBondContact O-CB 3.45Å; S157-L161 WeakPolarHBondContact O-CG 3.11Å; S157-L161 PolarHBondContact O-N 3.15Å |
| 158 | T | 68.8 | Low | 71.9 | Confident | 44 Ų | 44 | 86.5 Ų | 86.5 | 27% | 0.27 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67 | -39 | 171 | 44.8 | 0 | 0 | 0 | 0 | 113 | S154 Q155 E156 D162 L320 | S154-T158 VanDerWaalsContact O-CB 3.27Å; S154-T158 WeakPolarHBondContact O-CB 3.46Å; S154-T158 WeakPolarHBondContact O-CG2 3.47Å; S154-T158 PolarHBondContact O-N 3.06Å; S154-T158 PolarHBondContact O-OG1 3.28Å; Q155-T158 VanDerWaalsContact CA-OG1 3.3Å; Q155-T158 WeakPolarHBondContact CA-OG1 3.44Å; Q155-T158 PolarHBondContact O-OG1 3.13Å; E156-T158 VanDerWaalsContact C-N 3.34Å; E156-T158 PolarHBondContact O-N 2.82Å; T158-D162 WeakPolarHBondContact O-CB 3.37Å; T158-D162 PolarHBondContact O-N 2.86Å; T158-L320 HydrophobicContact CG2-CD1 3.58Å; T158-L320 HydrophobicContact CG2-CD2 3.59Å; T158-L320 HydrophobicContact CG2-CG 4.25Å |
| 159 | K | 76.9 | Confident | 71.2 | Confident | 114 Ų | 114 | 85.1 Ų | 85.1 | 50% | 0.496 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -69.7 | -36.2 | 175.6 | -71.5 | 165.1 | -164.6 | 159.2 | 0 | 111.7 | Q155 E156 D162 K163 | Q155-K159 WeakPolarHBondContact O-CD 3.39Å; Q155-K159 WeakPolarHBondContact O-CE 3.45Å; Q155-K159 WeakPolarHBondContact O-CG 3.37Å; E156-K159 PolarHBondContact O-N 2.93Å; E156-K159 VanDerWaalsContact O-N 3.15Å; K159-D162 WeakPolarHBondContact O-CB 3.35Å; K159-D162 PolarHBondContact O-N 3.07Å; K159-K163 WeakPolarHBondContact O-CG 3.26Å; K159-K163 PolarHBondContact O-N 2.9Å |
| 160 | E | 76.5 | Confident | 70.4 | Confident | 99 Ų | 99 | 86 Ų | 86 | 46% | 0.463 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.8 | -47.4 | 175.9 | -166.7 | 179.6 | -105 | 0 | 0 | 110.8 | E156 D162 K163 D164 K323 | E156-E160 PolarHBondContact O-N 2.95Å; E160-D162 VanDerWaalsContact C-N 3.27Å; E160-D162 PolarHBondContact O-N 3Å; E160-K163 WeakPolarHBondContact O-CA 3.1Å; E160-K163 WeakPolarHBondContact O-CB 3.17Å; E160-K163 PolarHBondContact O-N 3.47Å; E160-D164 VanDerWaalsContact O-CG 3.28Å; E160-D164 PolarHBondContact O-N 3.02Å; E160-K323 IonicContact OE2-NZ 2.67Å; E160-K323 PolarHBondContact OE2-NZ 3.46Å |
| 161 | L | 66.6 | Low | 69.1 | Low | 5 Ų | 5 | 85.2 Ų | 85.2 | 3% | 0.026 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65 | -26.9 | 173.9 | -76.1 | 168.4 | 0 | 0 | 0 | 113.9 | S157 K163 L165 L319 L320 K323 | S157-L161 WeakPolarHBondContact O-CB 3.45Å; S157-L161 WeakPolarHBondContact O-CG 3.11Å; S157-L161 PolarHBondContact O-N 3.15Å; L161-K163 VanDerWaalsContact C-N 3.35Å; L161-L165 VanDerWaalsContact O-CB 3.23Å; L161-L165 WeakPolarHBondContact O-CB 3.42Å; L161-L165 VanDerWaalsContact O-CD1 3.3Å; L161-L165 WeakPolarHBondContact O-CD1 3.34Å; L161-L165 WeakPolarHBondContact O-CG 3.37Å; L161-L165 PolarHBondContact O-N 3.47Å; L161-L319 HydrophobicContact CD1-CB 4.46Å; L161-L319 HydrophobicContact CD2-CB 3.96Å; L161-L320 HydrophobicContact CD1-CB 3.68Å; L161-L320 HydrophobicContact CD1-CD1 3.75Å; L161-L320 HydrophobicContact CD1-CG 4.34Å; L161-K323 HydrophobicContact CD1-CD 3.98Å; L161-K323 HydrophobicContact CD1-CG 4.42Å; L161-K323 HydrophobicContact CD2-CD 4.07Å; L161-K323 HydrophobicContact CG-CD 3.92Å |
| 162 | D | 70.7 | Confident | 67.9 | Low | 67 Ų | 67 | 85.8 Ų | 85.8 | 36% | 0.358 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.8 | -46.1 | 169.7 | -134.5 | 25.5 | 0 | 0 | 0 | 110.3 | T158 K159 E160 L165 D166 R316 | T158-D162 WeakPolarHBondContact O-CB 3.37Å; T158-D162 PolarHBondContact O-N 2.86Å; K159-D162 WeakPolarHBondContact O-CB 3.35Å; K159-D162 PolarHBondContact O-N 3.07Å; E160-D162 VanDerWaalsContact C-N 3.27Å; E160-D162 PolarHBondContact O-N 3Å; D162-L165 PolarHBondContact O-N 2.89Å; D162-D166 WeakPolarHBondContact O-CB 3.46Å; D162-D166 PolarHBondContact O-N 2.92Å; D162-R316 VanDerWaalsContact CG-NH2 3.33Å; D162-R316 IonicContact OD1-CZ 2.68Å; D162-R316 IonicContact OD1-NH1 2.78Å; D162-R316 PolarHBondContact OD1-NH1 3.23Å; D162-R316 IonicContact OD1-NH2 2.66Å; D162-R316 PolarHBondContact OD1-NH2 2.97Å; D162-R316 IonicContact OD2-NH2 3.12Å |
| 163 | K | 80.3 | Confident | 66.5 | Low | 145 Ų | 145 | 87.2 Ų | 87.2 | 63% | 0.63 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -66.8 | -46.7 | 176.3 | -61.9 | 166.8 | -174.4 | 174.7 | 0 | 112.1 | K159 E160 L161 L165 D166 E167 | K159-K163 WeakPolarHBondContact O-CG 3.26Å; K159-K163 PolarHBondContact O-N 2.9Å; E160-K163 WeakPolarHBondContact O-CA 3.1Å; E160-K163 WeakPolarHBondContact O-CB 3.17Å; E160-K163 PolarHBondContact O-N 3.47Å; L161-K163 VanDerWaalsContact C-N 3.35Å; K163-L165 PolarHBondContact O-N 3.35Å; K163-D166 PolarHBondContact O-N 3.16Å; K163-E167 WeakPolarHBondContact O-CB 3.21Å; K163-E167 PolarHBondContact O-N 3.38Å |
| 164 | D | 71.7 | Confident | 64.9 | Low | 70 Ų | 70 | 92.8 Ų | 92.8 | 37% | 0.374 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -57.8 | -37.3 | 178.4 | -61.6 | -16.6 | 0 | 0 | 0 | 110.6 | E160 Y168 K323 | E160-D164 VanDerWaalsContact O-CG 3.28Å; E160-D164 PolarHBondContact O-N 3.02Å; D164-Y168 WeakPolarHBondContact O-CB 3.48Å; D164-Y168 PolarHBondContact O-N 2.93Å; D164-K323 IonicContact OD2-NZ 3.03Å; D164-K323 PolarHBondContact OD2-NZ 3.26Å |
| 165 | L | 63.2 | Low | 63.6 | Low | 23 Ų | 23 | 96.8 Ų | 96.8 | 12% | 0.12 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -78.4 | -39.9 | 178.1 | -74.6 | 166.1 | 0 | 0 | 0 | 113.3 | L161 D162 K163 E167 Y168 M169 R316 | L161-L165 VanDerWaalsContact O-CB 3.23Å; L161-L165 WeakPolarHBondContact O-CB 3.42Å; L161-L165 VanDerWaalsContact O-CD1 3.3Å; L161-L165 WeakPolarHBondContact O-CD1 3.34Å; L161-L165 WeakPolarHBondContact O-CG 3.37Å; L161-L165 PolarHBondContact O-N 3.47Å; D162-L165 PolarHBondContact O-N 2.89Å; K163-L165 PolarHBondContact O-N 3.35Å; L165-E167 PolarHBondContact O-N 3.41Å; L165-Y168 PolarHBondContact O-N 3.15Å; L165-M169 VanDerWaalsContact O-CB 3.25Å; L165-M169 WeakPolarHBondContact O-CB 3.1Å; L165-M169 WeakPolarHBondContact O-CG 3.37Å; L165-M169 PolarHBondContact O-N 2.61Å; L165-R316 HydrophobicContact CD1-CB 3.41Å; L165-R316 VanDerWaalsContact CD1-CB 3.41Å; L165-R316 HydrophobicContact CD1-CG 3.38Å |
| 166 | D | 68.6 | Low | 61.9 | Low | 94 Ų | 94 | 95.3 Ų | 95.3 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.3 | -39.1 | 171.5 | -82 | -9.8 | 0 | 0 | 0 | 110.3 | D162 K163 H170 | D162-D166 WeakPolarHBondContact O-CB 3.46Å; D162-D166 PolarHBondContact O-N 2.92Å; K163-D166 PolarHBondContact O-N 3.16Å; D166-H170 VanDerWaalsContact O-CB 3.23Å; D166-H170 WeakPolarHBondContact O-CB 3.43Å; D166-H170 PolarHBondContact O-CD2 2.87Å; D166-H170 PolarHBondContact O-N 2.81Å; D166-H170 VanDerWaalsContact O-N 3.08Å |
| 167 | E | 74.3 | Confident | 60.4 | Low | 132 Ų | 132 | 95.5 Ų | 95.5 | 62% | 0.617 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.6 | -44.6 | 173.6 | -176.5 | 158 | -157.3 | 0 | 0 | 112.1 | K163 L165 H170 G171 | K163-E167 WeakPolarHBondContact O-CB 3.21Å; K163-E167 PolarHBondContact O-N 3.38Å; L165-E167 PolarHBondContact O-N 3.41Å; E167-H170 CarbonylContact O-C 3.59Å; E167-H170 PolarHBondContact O-N 2.8Å; E167-G171 WeakPolarHBondContact O-CA 3.32Å; E167-G171 PolarHBondContact O-N 3.31Å |
| 168 | Y | 65.3 | Low | 59.1 | Low | 126 Ų | 126 | 103.1 Ų | 103.1 | 49% | 0.494 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.9 | -47.7 | 175.5 | -178.3 | -103.4 | 0 | 0 | 0 | 112.4 | D164 L165 H170 G171 R315 | D164-Y168 WeakPolarHBondContact O-CB 3.48Å; D164-Y168 PolarHBondContact O-N 2.93Å; L165-Y168 PolarHBondContact O-N 3.15Å; Y168-H170 PolarHBondContact O-N 3.2Å; Y168-G171 PolarHBondContact O-N 2.88Å; Y168-G171 VanDerWaalsContact O-N 3.11Å; Y168-R315 PolarHBondContact OH-NH1 2.88Å |
| 169 | M | 60 | Low | 57.5 | Low | 107 Ų | 107 | 109 Ų | 109 | 53% | 0.527 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.2 | -11 | 178.9 | -66.1 | -64.8 | -58.5 | 0 | 0 | 113.5 | L165 A312 | L165-M169 VanDerWaalsContact O-CB 3.25Å; L165-M169 WeakPolarHBondContact O-CB 3.1Å; L165-M169 WeakPolarHBondContact O-CG 3.37Å; L165-M169 PolarHBondContact O-N 2.61Å; M169-A312 HydrophobicContact SD-CB 4.22Å |
| 170 | H | 59.9 | Low | 56.1 | Low | 131 Ų | 131 | 112.9 Ų | 112.9 | 61% | 0.606 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -112.3 | -5.2 | 173 | -62.7 | -21.1 | 0 | 0 | 0 | 113.1 | D166 E167 Y168 | D166-H170 VanDerWaalsContact O-CB 3.23Å; D166-H170 WeakPolarHBondContact O-CB 3.43Å; D166-H170 PolarHBondContact O-CD2 2.87Å; D166-H170 PolarHBondContact O-N 2.81Å; D166-H170 VanDerWaalsContact O-N 3.08Å; E167-H170 CarbonylContact O-C 3.59Å; E167-H170 PolarHBondContact O-N 2.8Å; Y168-H170 PolarHBondContact O-N 3.2Å |
| 171 | G | 45.2 | Very low | 54.3 | Low | 32 Ų | 32 | 116 Ų | 116 | 33% | 0.33 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -71.2 | -32.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E167 Y168 K173 K174 | E167-G171 WeakPolarHBondContact O-CA 3.32Å; E167-G171 PolarHBondContact O-N 3.31Å; Y168-G171 PolarHBondContact O-N 2.88Å; Y168-G171 VanDerWaalsContact O-N 3.11Å; G171-K173 PolarHBondContact O-N 2.77Å; G171-K174 PolarHBondContact O-N 3.46Å; G171-K174 VanDerWaalsContact O-N 3.15Å |
| 172 | D | 46.3 | Very low | 52.6 | Low | 148 Ų | 148 | 122.7 Ų | 122.7 | 79% | 0.791 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | 5.6 | 176.9 | -67.1 | -29.2 | 0 | 0 | 0 | 114.2 | ||
| 173 | K | 47.9 | Very low | 51 | Low | 175 Ų | 175 | 122.6 Ų | 122.6 | 76% | 0.761 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | 19.2 | 174.9 | -65.4 | -174.7 | -179.5 | 173.9 | 0 | 114.1 | G171 P175 | G171-K173 PolarHBondContact O-N 2.77Å; K173-P175 WeakPolarHBondContact O-CD 3.42Å |
| 174 | K | 37.6 | Very low | 49.4 | Very low | 173 Ų | 173 | 125.1 Ų | 125.1 | 75% | 0.752 | 66% | 0.656 | S | S | * | * | trans | -93.7 | 102.2 | 167.2 | -77.4 | -174.6 | 178.5 | 173.2 | 0 | 111.7 | G171 | G171-K174 PolarHBondContact O-N 3.46Å; G171-K174 VanDerWaalsContact O-N 3.15Å | ||
| 175 | P | 41.2 | Very low | 47.9 | Very low | 121 Ų | 121 | 124.9 Ų | 124.9 | 79% | 0.786 | 67% | 0.67 | S | S | * | * | trans | -78.3 | 137.7 | 153.5 | 33.4 | -31.4 | 0 | 0 | 0 | 109.9 | K173 | K173-P175 WeakPolarHBondContact O-CD 3.42Š| ||
| 176 | G | 33.2 | Very low | 47 | Very low | 71 Ų | 71 | 131.2 Ų | 131.2 | 73% | 0.732 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 59.4 | 95.3 | 151 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||
| 177 | S | 43.8 | Very low | 46.4 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | trans | 0.5 | 129.7 | 145.7 | 58.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 178 | K | 42.2 | Very low | 45.5 | Very low | 177 Ų | 177 | 138.3 Ų | 138.3 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | -178.1 | 163 | 99.4 | -98.1 | -177.9 | 179.4 | -171.4 | 0 | 113.1 | |||||
| 179 | E | 35.9 | Very low | 45.5 | Very low | 167 Ų | 167 | 142.7 Ų | 142.7 | 78% | 0.78 | 75% | 0.747 | S | S | * | * | trans | 64 | 97.7 | 163.8 | -74.9 | 142.9 | -130.1 | 0 | 0 | 117.7 | ||||
| 180 | E | 47.1 | Very low | 45.7 | Very low | 196 Ų | 196 | 146 Ų | 146 | 92% | 0.916 | 76% | 0.758 | S | S | * | * | trans | -58.6 | 129.1 | 135.4 | -58.7 | -177.3 | 153.5 | 0 | 0 | 108.6 | ||||
| 181 | E | 40.1 | Very low | 45.9 | Very low | 165 Ų | 165 | 148.9 Ų | 148.9 | 77% | 0.771 | 76% | 0.764 | S | S | * | * | trans | -179.3 | 135.8 | 132.7 | 177.9 | 162.7 | -171.4 | 0 | 0 | 110.5 | ||||
| 182 | N | 31 | Very low | 46.9 | Very low | 145 Ų | 145 | 151 Ų | 151 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | 57.3 | 132.5 | 163 | -67.4 | -31.2 | 0 | 0 | 0 | 121.7 | ||||
| 183 | G | 37.2 | Very low | 47.7 | Very low | 65 Ų | 65 | 148.4 Ų | 148.4 | 67% | 0.67 | 76% | 0.761 | S | S | * | * | trans | 110.4 | 72.7 | 136.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | G185 | G183-G185 VanDerWaalsContact C-N 3.31Å; G183-G185 PolarHBondContact O-N 3.12Å | ||
| 184 | Q | 45.4 | Very low | 48.3 | Very low | 199 Ų | 199 | 147.8 Ų | 147.8 | 93% | 0.93 | 76% | 0.758 | S | S | * | * | trans | 29.2 | 55.8 | 131.2 | -154.7 | 171.4 | 15.9 | 0 | 0 | 117.2 | H186 | Q184-H186 PolarHBondContact O-N 3.25Š| ||
| 185 | G | 39.9 | Very low | 49.3 | Very low | 65 Ų | 65 | 145 Ų | 145 | 67% | 0.67 | 75% | 0.751 | S | S | * | * | trans | -81.6 | 107.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | G183 L187 | G183-G185 VanDerWaalsContact C-N 3.31Å; G183-G185 PolarHBondContact O-N 3.12Å; G185-L187 PolarHBondContact O-N 3.3Å; G185-L187 VanDerWaalsContact O-N 3.12Å | ||
| 186 | H | 44.8 | Very low | 50.3 | Low | 155 Ų | 155 | 146.6 Ų | 146.6 | 72% | 0.718 | 74% | 0.742 | S | S | * | * | trans | -41.7 | 115 | 175.7 | -82 | -95.1 | 0 | 0 | 0 | 114.1 | Q184 K188 R189 | Q184-H186 PolarHBondContact O-N 3.25Å; H186-K188 PolarHBondContact O-N 2.99Å; H186-R189 PolarHBondContact O-N 3.2Å | ||
| 187 | L | 56.1 | Low | 51.6 | Low | 183 Ų | 183 | 147.3 Ų | 147.3 | 96% | 0.958 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | 8.6 | 176.4 | -62.9 | 172 | 0 | 0 | 0 | 115.7 | G185 | G185-L187 PolarHBondContact O-N 3.3Å; G185-L187 VanDerWaalsContact O-N 3.12Å |
| 188 | K | 55.9 | Low | 52.5 | Low | 193 Ų | 193 | 144.1 Ų | 144.1 | 84% | 0.839 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | -21 | -173.1 | -66.9 | -74.5 | -175.1 | 169.8 | 0 | 113.8 | H186 | H186-K188 PolarHBondContact O-N 2.99Š|
| 189 | R | 65.3 | Low | 53.6 | Low | 218 Ų | 218 | 143 Ų | 143 | 82% | 0.823 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -92.2 | 117.8 | 175.7 | -136.3 | -179.5 | -62.4 | 158.5 | 3 | 108.8 | H186 R191 | H186-R189 PolarHBondContact O-N 3.2Å; R189-R191 PolarHBondContact O-N 3.1Å |
| 190 | K | 63.3 | Low | 55.3 | Low | 176 Ų | 176 | 141.6 Ų | 141.6 | 77% | 0.765 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 124.8 | 169.3 | -62.4 | -65.3 | -176.4 | -177.6 | 0 | 107 | ||
| 191 | R | 63.9 | Low | 56.6 | Low | 192 Ų | 192 | 134.8 Ų | 134.8 | 73% | 0.725 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 142.9 | 168.5 | -68.4 | 179.8 | -173.6 | 158.7 | 1.7 | 108.7 | R189 R196 | R189-R191 PolarHBondContact O-N 3.1Å; R191-R196 HydrophobicContact CB-CG 3.66Å; R191-R196 WeakPolarHBondContact O-CD 3.37Å; R191-R196 WeakPolarHBondContact O-CG 3.46Å |
| 192 | P | 67.6 | Low | 58.5 | Low | 77 Ų | 77 | 131.7 Ų | 131.7 | 50% | 0.5 | 66% | 0.66 | S | S | . | * | P | Polyproline II helix | trans | -56 | 148.8 | -178.2 | 26 | -34.7 | 0 | 0 | 0 | 109.9 | K194 D195 R196 | P192-K194 PolarHBondContact O-N 3.34Å; P192-D195 HydrophobicContact CG-CB 4.1Å; P192-D195 WeakPolarHBondContact CG-OD2 3.38Å; P192-D195 PolarHBondContact O-N 3.25Å; P192-D195 VanDerWaalsContact O-N 3.1Å; P192-R196 PolarHBondContact O-N 3.38Å |
| 193 | V | 61.5 | Low | 60.9 | Low | 93 Ų | 93 | 125.2 Ų | 125.2 | 56% | 0.564 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -32.4 | -170.8 | 175.2 | 0 | 0 | 0 | 0 | 111.7 | R196 L197 | V193-R196 PolarHBondContact O-N 3.11Å; V193-L197 HydrophobicContact CG1-CD1 3.58Å; V193-L197 HydrophobicContact CG1-CG 4.43Å; V193-L197 WeakPolarHBondContact O-CB 3.23Å; V193-L197 WeakPolarHBondContact O-CD1 3.26Å; V193-L197 WeakPolarHBondContact O-CG 3.33Å; V193-L197 PolarHBondContact O-N 3.49Å |
| 194 | K | 60.7 | Low | 63.1 | Low | 162 Ų | 162 | 124.7 Ų | 124.7 | 70% | 0.704 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -54.6 | 175.7 | -152.9 | 171.4 | -178.3 | -178.4 | 0 | 112.2 | P192 R196 L197 G198 | P192-K194 PolarHBondContact O-N 3.34Å; K194-R196 PolarHBondContact O-N 3.19Å; K194-L197 PolarHBondContact O-N 2.65Å; K194-G198 PolarHBondContact O-N 2.99Å |
| 195 | D | 60 | Low | 64.7 | Low | 113 Ų | 113 | 120.1 Ų | 120.1 | 60% | 0.604 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -24.8 | 179.6 | -58.6 | -1.7 | 0 | 0 | 0 | 113.5 | P192 L197 | P192-D195 HydrophobicContact CG-CB 4.1Å; P192-D195 WeakPolarHBondContact CG-OD2 3.38Å; P192-D195 PolarHBondContact O-N 3.25Å; P192-D195 VanDerWaalsContact O-N 3.1Å; D195-L197 VanDerWaalsContact C-N 3.32Å |
| 196 | R | 62.1 | Low | 66.4 | Low | 155 Ų | 155 | 126.1 Ų | 126.1 | 59% | 0.585 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -16.5 | 176.1 | -68.8 | -176.8 | 63.6 | -151 | -5.5 | 113.8 | R191 P192 V193 K194 | R191-R196 HydrophobicContact CB-CG 3.66Å; R191-R196 WeakPolarHBondContact O-CD 3.37Å; R191-R196 WeakPolarHBondContact O-CG 3.46Å; P192-R196 PolarHBondContact O-N 3.38Å; V193-R196 PolarHBondContact O-N 3.11Å; K194-R196 PolarHBondContact O-N 3.19Å |
| 197 | L | 60.3 | Low | 67.9 | Low | 86 Ų | 86 | 119.7 Ų | 119.7 | 45% | 0.45 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -119.9 | -13.4 | -170.2 | -63.6 | 178.2 | 0 | 0 | 0 | 113.4 | V193 K194 D195 R271 | V193-L197 HydrophobicContact CG1-CD1 3.58Å; V193-L197 HydrophobicContact CG1-CG 4.43Å; V193-L197 WeakPolarHBondContact O-CB 3.23Å; V193-L197 WeakPolarHBondContact O-CD1 3.26Å; V193-L197 WeakPolarHBondContact O-CG 3.33Å; V193-L197 PolarHBondContact O-N 3.49Å; K194-L197 PolarHBondContact O-N 2.65Å; D195-L197 VanDerWaalsContact C-N 3.32Å; L197-R271 HydrophobicContact CD1-CB 3.68Å; L197-R271 HydrophobicContact CD2-CB 3.73Å; L197-R271 HydrophobicContact CD2-CG 4.36Å; L197-R271 HydrophobicContact CG-CB 4.4Å |
| 198 | G | 62.3 | Low | 68.7 | Low | 45 Ų | 45 | 116.4 Ų | 116.4 | 46% | 0.464 | 54% | 0.541 | S | S | . | . | trans | 82 | -172.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K194 | K194-G198 PolarHBondContact O-N 2.99Š| ||
| 199 | N | 66 | Low | 69.7 | Low | 152 Ų | 152 | 115 Ų | 115 | 81% | 0.813 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -64.3 | 144.3 | 175.9 | -90.1 | -5.8 | 0 | 0 | 0 | 111.2 | V201 | N199-V201 PolarHBondContact O-N 3.4Š|
| 200 | R | 71 | Confident | 70.2 | Confident | 139 Ų | 139 | 113 Ų | 113 | 53% | 0.525 | 53% | 0.531 | S | S | . | . | trans | -64.1 | 117.4 | 175.5 | -177.1 | -179 | 174.3 | -153.6 | 4.1 | 108.9 | E202 E259 | R200-E202 HydrophobicContact CB-CG 4.44Å; R200-E202 VanDerWaalsContact CD-OE1 3.27Å; R200-E202 WeakPolarHBondContact CD-OE1 3.41Å; R200-E202 HydrophobicContact CG-CG 3.75Å; R200-E202 IonicContact CZ-OE1 3.33Å; R200-E202 VanDerWaalsContact CZ-OE1 3.28Å; R200-E202 IonicContact NE-OE1 3.09Å; R200-E202 PolarHBondContact NE-OE1 3.29Å; R200-E202 IonicContact NH1-OE1 2.62Å; R200-E202 PolarHBondContact NH1-OE1 3.12Å; R200-E202 PolarHBondContact O-N 3.39Å; R200-E259 IonicContact CZ-OE1 2.73Å; R200-E259 IonicContact NH2-OE1 3.95Å; R200-E259 PolarHBondContact NH2-OE1 2.99Å | ||
| 201 | V | 75.1 | Confident | 70.9 | Confident | 52 Ų | 52 | 106.2 Ų | 106.2 | 32% | 0.315 | 50% | 0.503 | S | S | . | . | trans | -75.7 | 111.7 | 165.2 | 177.4 | 0 | 0 | 0 | 0 | 107.1 | N199 Q229 P275 | N199-V201 PolarHBondContact O-N 3.4Å; V201-Q229 HydrophobicContact CG1-CB 3.8Å; V201-Q229 HydrophobicContact CG1-CG 4.32Å; V201-P275 HydrophobicContact CG1-CG 4.17Å; V201-P275 WeakPolarHBondContact O-CD 3.31Å | ||
| 202 | E | 79.2 | Confident | 71.7 | Confident | 100 Ų | 100 | 100.8 Ų | 100.8 | 47% | 0.467 | 49% | 0.492 | S | S | . | . | trans | -99.3 | 144 | 178.6 | -62.8 | -170 | 165.7 | 0 | 0 | 110.4 | R200 Q229 | R200-E202 HydrophobicContact CB-CG 4.44Å; R200-E202 VanDerWaalsContact CD-OE1 3.27Å; R200-E202 WeakPolarHBondContact CD-OE1 3.41Å; R200-E202 HydrophobicContact CG-CG 3.75Å; R200-E202 IonicContact CZ-OE1 3.33Å; R200-E202 VanDerWaalsContact CZ-OE1 3.28Å; R200-E202 IonicContact NE-OE1 3.09Å; R200-E202 PolarHBondContact NE-OE1 3.29Å; R200-E202 IonicContact NH1-OE1 2.62Å; R200-E202 PolarHBondContact NH1-OE1 3.12Å; R200-E202 PolarHBondContact O-N 3.39Å; E202-Q229 PolarHBondContact O-NE2 3.45Å; E202-Q229 VanDerWaalsContact O-NE2 3.13Å | ||
| 203 | M | 81.7 | Confident | 72.4 | Confident | 9 Ų | 9 | 101.6 Ų | 101.6 | 4% | 0.044 | 49% | 0.488 | C | S | . | . | trans | -71.5 | 134.6 | -179.7 | -171.5 | 178.6 | 177.8 | 0 | 0 | 110.6 | Y205 R227 L228 L252 T255 A256 P275 | M203-Y205 VanDerWaalsContact C-N 3.35Å; M203-Y205 HydrophobicContact CB-CE1 4.4Å; M203-Y205 VanDerWaalsContact O-CD2 3.28Å; M203-Y205 WeakPolarHBondContact O-CD2 3.42Å; M203-Y205 PolarHBondContact O-N 3.28Å; M203-Y205 HydrophobicContact SD-CD1 4.38Å; M203-Y205 HydrophobicContact SD-CE1 4.21Å; M203-R227 HydrophobicContact CE-CB 4.49Å; M203-R227 WeakPolarHBondContact CG-O 3.25Å; M203-L228 HydrophobicContact CE-CD2 4.06Å; M203-L228 HydrophobicContact SD-CD2 4.45Å; M203-L252 HydrophobicContact CE-CD1 3.55Å; M203-L252 HydrophobicContact CE-CG 4.23Å; M203-T255 HydrophobicContact SD-CG2 4.41Å; M203-A256 HydrophobicContact CE-CB 4.07Å; M203-A256 HydrophobicContact SD-CB 4.16Å; M203-P275 HydrophobicContact CB-CB 3.96Å; M203-P275 HydrophobicContact CB-CG 4.33Å; M203-P275 HydrophobicContact CG-CB 4.34Å | ||
| 204 | N | 83.1 | Confident | 73.2 | Confident | 55 Ų | 55 | 104.3 Ų | 104.3 | 29% | 0.294 | 50% | 0.5 | S | S | . | . | trans | -81.4 | 79 | 175.4 | -65.4 | -49 | 0 | 0 | 0 | 110.1 | K206 G207 F226 R227 Q229 | N204-K206 PolarHBondContact O-N 3.29Å; N204-G207 PolarHBondContact O-N 3.27Å; N204-F226 PolarHBondContact ND2-O 2.7Å; N204-R227 PolarHBondContact N-O 3.2Å; N204-R227 WeakPolarHBondContact O-CG 3.43Å; N204-Q229 PolarHBondContact ND2-NE2 3.28Å; N204-Q229 VanDerWaalsContact ND2-NE2 3.17Å; N204-Q229 PolarHBondContact OD1-NE2 2.95Å | ||
| 205 | Y | 78.2 | Confident | 74.4 | Confident | 103 Ų | 103 | 99.1 Ų | 99.1 | 40% | 0.404 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -34.6 | -174.5 | -61.4 | -79.8 | 0 | 0 | 0 | 115 | M203 A256 E259 Q260 | M203-Y205 VanDerWaalsContact C-N 3.35Å; M203-Y205 HydrophobicContact CB-CE1 4.4Å; M203-Y205 VanDerWaalsContact O-CD2 3.28Å; M203-Y205 WeakPolarHBondContact O-CD2 3.42Å; M203-Y205 PolarHBondContact O-N 3.28Å; M203-Y205 HydrophobicContact SD-CD1 4.38Å; M203-Y205 HydrophobicContact SD-CE1 4.21Å; Y205-A256 HydrophobicContact CD1-CB 4.4Å; Y205-A256 HydrophobicContact CE1-CB 4.44Å; Y205-E259 WeakPolarHBondContact OH-CG 3.45Å; Y205-Q260 HydrophobicContact CE1-CG 3.98Å |
| 206 | K | 75.9 | Confident | 75.9 | Confident | 190 Ų | 190 | 96.7 Ų | 96.7 | 83% | 0.826 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -31.1 | 178.9 | -65.2 | -173.8 | 177.3 | -175.5 | 0 | 113.3 | N204 R227 | N204-K206 PolarHBondContact O-N 3.29Å; K206-R227 PolarHBondContact O-NH2 2.78Å |
| 207 | G | 77 | Confident | 77.3 | Confident | 21 Ų | 21 | 93.9 Ų | 93.9 | 22% | 0.216 | 47% | 0.465 | C | S | . | . | trans | 60 | -165.3 | -165.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | N204 E223 | N204-G207 PolarHBondContact O-N 3.27Å; G207-E223 WeakPolarHBondContact CA-OE1 3.2Å | ||
| 208 | R | 73.7 | Confident | 78.7 | Confident | 114 Ų | 114 | 96.9 Ų | 96.9 | 43% | 0.43 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -99.5 | -27.7 | 168.7 | -59.3 | 165.2 | -60.9 | -151.3 | 0 | 112.1 | D222 E223 F226 | R208-D222 PolarHBondContact NH2-O 2.98Å; R208-E223 IonicContact CZ-OE2 2.68Å; R208-E223 PolarHBondContact N-OE1 3.08Å; R208-E223 IonicContact NE-OE2 2.84Å; R208-E223 PolarHBondContact NE-OE2 3.07Å; R208-E223 IonicContact NH2-OE2 3.28Å; R208-E223 PolarHBondContact NH2-OE2 3.5Å; R208-F226 HydrophobicContact CG-CD1 3.87Å; R208-F226 HydrophobicContact CG-CE1 3.55Å; R208-F226 HydrophobicContact CG-CZ 4.05Å; R208-F226 VanDerWaalsContact CZ-CG 3.44Å |
| 209 | Y | 76 | Confident | 80.1 | Confident | 163 Ų | 163 | 101.5 Ų | 101.5 | 64% | 0.639 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -134 | 149.9 | -176.1 | -58.3 | -73.4 | 0 | 0 | 0 | 110.8 | R227 | Y209-R227 PolarHBondContact O-NH2 3.16Š|
| 210 | E | 75.6 | Confident | 81.3 | Confident | 176 Ų | 176 | 94.3 Ų | 94.3 | 82% | 0.822 | 45% | 0.446 | S | S | * | . | trans | -77.8 | 122.2 | 164.9 | -67.4 | 175.6 | -174.4 | 0 | 0 | 107.5 | ||||
| 211 | I | 78.3 | Confident | 82.4 | Confident | 33 Ų | 33 | 88 Ų | 88 | 17% | 0.169 | 42% | 0.423 | C | S | . | . | trans | -90.6 | 122.8 | -174 | -48.8 | 176 | 0 | 0 | 0 | 108.1 | V220 E223 I224 I249 L252 | I211-V220 HydrophobicContact CG2-CB 4.37Å; I211-V220 HydrophobicContact CG2-CG1 4.08Å; I211-V220 HydrophobicContact CG2-CG2 3.89Å; I211-E223 HydrophobicContact CD1-CB 4Å; I211-E223 HydrophobicContact CD1-CG 3.75Å; I211-E223 HydrophobicContact CG1-CB 4.23Å; I211-E223 HydrophobicContact CG1-CG 3.8Å; I211-I224 HydrophobicContact CD1-CG1 4.4Å; I211-I249 HydrophobicContact CG2-CD1 3.76Å; I211-I249 HydrophobicContact CG2-CG1 3.9Å; I211-L252 HydrophobicContact CD1-CD2 3.77Å | ||
| 212 | T | 80.9 | Confident | 83.2 | Confident | 79 Ų | 79 | 89 Ų | 89 | 49% | 0.485 | 43% | 0.427 | S | S | . | . | trans | -106.8 | 155.7 | 173.8 | -47.6 | 0 | 0 | 0 | 0 | 110 | D214 D215 | T212-D214 PolarHBondContact O-N 3.39Å; T212-D215 PolarHBondContact N-OD2 2.84Å; T212-D215 WeakPolarHBondContact O-CB 3.47Å; T212-D215 PolarHBondContact O-N 3.14Å | ||
| 213 | E | 80.9 | Confident | 83.7 | Confident | 93 Ų | 93 | 84.4 Ų | 84.4 | 44% | 0.435 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -27.3 | -178.6 | -63.9 | -176.2 | -176 | 0 | 0 | 113.7 | T245 K246 I249 | E213-T245 PolarHBondContact O-OG1 3.49Å; E213-K246 HydrophobicContact CB-CG 4.18Å; E213-K246 HydrophobicContact CG-CG 4.11Å; E213-K246 WeakPolarHBondContact OE2-CE 3.31Å; E213-K246 IonicContact OE2-NZ 2.88Å; E213-K246 PolarHBondContact OE2-NZ 2.79Å; E213-I249 HydrophobicContact CG-CD1 4.34Å |
| 214 | D | 79.3 | Confident | 84.2 | Confident | 150 Ų | 150 | 84 Ų | 84 | 80% | 0.802 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -2.3 | -177.3 | -55.4 | -51.1 | 0 | 0 | 0 | 113.8 | T212 | T212-D214 PolarHBondContact O-N 3.39Š|
| 215 | D | 86.5 | Confident | 84.6 | Confident | 54 Ų | 54 | 81.5 Ų | 81.5 | 29% | 0.289 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -68.3 | 152.2 | 176.9 | -84 | -59.8 | 0 | 0 | 0 | 112.4 | T212 Q217 V220 | T212-D215 PolarHBondContact N-OD2 2.84Å; T212-D215 WeakPolarHBondContact O-CB 3.47Å; T212-D215 PolarHBondContact O-N 3.14Å; D215-Q217 PolarHBondContact O-N 2.84Å; D215-V220 HydrophobicContact CB-CG2 3.67Å |
| 216 | S | 90.9 | Very high | 85.2 | Confident | 62 Ų | 62 | 80.3 Ų | 80.3 | 43% | 0.434 | 39% | 0.387 | S | S | . | . | trans | -56.4 | 134.3 | 174 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | E218 K219 V220 | S216-E218 PolarHBondContact O-N 2.9Å; S216-K219 WeakPolarHBondContact O-CB 3.47Å; S216-K219 PolarHBondContact O-N 3.24Å; S216-V220 PolarHBondContact O-N 2.78Å | ||
| 217 | Q | 90.9 | Very high | 85.9 | Confident | 95 Ų | 95 | 73 Ų | 73 | 44% | 0.444 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -49.3 | -37.9 | -179 | -62.5 | -177.4 | 1.5 | 0 | 0 | 112.9 | D215 A221 V240 T245 | D215-Q217 PolarHBondContact O-N 2.84Å; Q217-A221 WeakPolarHBondContact O-CB 3.43Å; Q217-A221 PolarHBondContact O-N 2.77Å; Q217-V240 HydrophobicContact CB-CG1 4Å; Q217-V240 HydrophobicContact CG-CG1 4.43Å; Q217-T245 HydrophobicContact CG-CG2 3.95Å |
| 218 | E | 91.1 | Very high | 86.5 | Confident | 150 Ų | 150 | 72 Ų | 72 | 70% | 0.701 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -67.9 | -43.2 | 178.4 | -63.3 | -179.9 | 162.4 | 0 | 0 | 112.1 | S216 A221 D222 | S216-E218 PolarHBondContact O-N 2.9Å; E218-A221 PolarHBondContact O-N 3.42Å; E218-D222 WeakPolarHBondContact O-CB 3.4Å; E218-D222 PolarHBondContact O-N 3.02Å |
| 219 | K | 90.7 | Very high | 87.1 | Confident | 142 Ų | 142 | 71 Ų | 71 | 62% | 0.617 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.9 | -44.1 | 176.4 | -66.8 | -177.3 | 178.7 | 179.8 | 0 | 111.3 | S216 A221 D222 E223 | S216-K219 WeakPolarHBondContact O-CB 3.47Å; S216-K219 PolarHBondContact O-N 3.24Å; K219-A221 VanDerWaalsContact C-N 3.33Å; K219-A221 PolarHBondContact O-N 3.16Å; K219-D222 PolarHBondContact O-N 2.81Å; K219-E223 WeakPolarHBondContact O-CB 3.5Å; K219-E223 PolarHBondContact O-N 3.24Å |
| 220 | V | 91.4 | Very high | 87.6 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 175.5 | 176.3 | 0 | 0 | 0 | 0 | 110 | I211 D215 S216 E223 I224 V240 T245 I249 | I211-V220 HydrophobicContact CG2-CB 4.37Å; I211-V220 HydrophobicContact CG2-CG1 4.08Å; I211-V220 HydrophobicContact CG2-CG2 3.89Å; D215-V220 HydrophobicContact CB-CG2 3.67Å; S216-V220 PolarHBondContact O-N 2.78Å; V220-E223 PolarHBondContact O-N 3.31Å; V220-I224 HydrophobicContact CG1-CD1 3.74Å; V220-I224 HydrophobicContact CG1-CG1 4.49Å; V220-I224 WeakPolarHBondContact O-CB 3.49Å; V220-I224 VanDerWaalsContact O-CG1 3.26Å; V220-I224 WeakPolarHBondContact O-CG1 3.34Å; V220-I224 PolarHBondContact O-N 3.46Å; V220-V240 HydrophobicContact CB-CG1 4.45Å; V220-V240 HydrophobicContact CG1-CG1 4.3Å; V220-V240 HydrophobicContact CG1-CG2 4.37Å; V220-T245 HydrophobicContact CB-CG2 4.41Å; V220-T245 HydrophobicContact CG2-CG2 4.01Å; V220-I249 HydrophobicContact CG1-CG1 4.31Å |
| 221 | A | 93.1 | Very high | 88.1 | Confident | 6 Ų | 6 | 62 Ų | 62 | 5% | 0.05 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.1 | -45 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q217 E218 K219 E223 I224 A225 I236 A237 V240 | Q217-A221 WeakPolarHBondContact O-CB 3.43Å; Q217-A221 PolarHBondContact O-N 2.77Å; E218-A221 PolarHBondContact O-N 3.42Å; K219-A221 VanDerWaalsContact C-N 3.33Å; K219-A221 PolarHBondContact O-N 3.16Å; A221-E223 VanDerWaalsContact C-N 3.27Å; A221-E223 PolarHBondContact O-N 3Å; A221-I224 PolarHBondContact O-N 3.11Å; A221-A225 VanDerWaalsContact O-CB 3.3Å; A221-A225 WeakPolarHBondContact O-CB 3.13Å; A221-A225 PolarHBondContact O-N 3.28Å; A221-I236 HydrophobicContact CB-CG2 4.32Å; A221-I236 WeakPolarHBondContact O-CG2 3.32Å; A221-A237 HydrophobicContact CB-CB 4.14Å; A221-V240 HydrophobicContact CB-CB 4.28Å; A221-V240 HydrophobicContact CB-CG2 3.86Å |
| 222 | D | 91.9 | Very high | 88.6 | Confident | 73 Ų | 73 | 65 Ų | 65 | 39% | 0.39 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.5 | -29.4 | 179 | -114.2 | -29 | 0 | 0 | 0 | 112.5 | R208 E218 K219 F226 K233 | R208-D222 PolarHBondContact NH2-O 2.98Å; E218-D222 WeakPolarHBondContact O-CB 3.4Å; E218-D222 PolarHBondContact O-N 3.02Å; K219-D222 PolarHBondContact O-N 2.81Å; D222-F226 VanDerWaalsContact O-CB 3.32Å; D222-F226 WeakPolarHBondContact O-CB 3.16Å; D222-F226 PolarHBondContact O-N 3.21Å; D222-F226 VanDerWaalsContact O-N 3.13Å; D222-K233 IonicContact OD1-NZ 3.4Å; D222-K233 PolarHBondContact OD1-NZ 3.1Å; D222-K233 VanDerWaalsContact OD1-NZ 3.12Å |
| 223 | E | 90.8 | Very high | 89 | Confident | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.019 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -79.8 | -41.1 | 175.2 | -166.4 | 54.5 | -144.1 | 0 | 0 | 112.2 | G207 R208 I211 K219 V220 A221 A225 F226 R227 | G207-E223 WeakPolarHBondContact CA-OE1 3.2Å; R208-E223 IonicContact CZ-OE2 2.68Å; R208-E223 PolarHBondContact N-OE1 3.08Å; R208-E223 IonicContact NE-OE2 2.84Å; R208-E223 PolarHBondContact NE-OE2 3.07Å; R208-E223 IonicContact NH2-OE2 3.28Å; R208-E223 PolarHBondContact NH2-OE2 3.5Å; I211-E223 HydrophobicContact CD1-CB 4Å; I211-E223 HydrophobicContact CD1-CG 3.75Å; I211-E223 HydrophobicContact CG1-CB 4.23Å; I211-E223 HydrophobicContact CG1-CG 3.8Å; K219-E223 WeakPolarHBondContact O-CB 3.5Å; K219-E223 PolarHBondContact O-N 3.24Å; V220-E223 PolarHBondContact O-N 3.31Å; A221-E223 VanDerWaalsContact C-N 3.27Å; A221-E223 PolarHBondContact O-N 3Å; E223-A225 VanDerWaalsContact C-N 3.34Å; E223-A225 PolarHBondContact O-N 2.82Å; E223-F226 PolarHBondContact O-N 3.31Å; E223-R227 WeakPolarHBondContact O-CB 3.47Å; E223-R227 WeakPolarHBondContact O-CG 3.49Å; E223-R227 PolarHBondContact O-N 2.85Å; E223-R227 IonicContact OE1-NE 2.61Å |
| 224 | I | 91.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.9 | -48.1 | 170 | -70.1 | 167.6 | 0 | 0 | 0 | 110.1 | I211 V220 A221 F226 R227 L228 I236 V240 A248 L252 F279 | I211-I224 HydrophobicContact CD1-CG1 4.4Å; V220-I224 HydrophobicContact CG1-CD1 3.74Å; V220-I224 HydrophobicContact CG1-CG1 4.49Å; V220-I224 WeakPolarHBondContact O-CB 3.49Å; V220-I224 VanDerWaalsContact O-CG1 3.26Å; V220-I224 WeakPolarHBondContact O-CG1 3.34Å; V220-I224 PolarHBondContact O-N 3.46Å; A221-I224 PolarHBondContact O-N 3.11Å; I224-F226 VanDerWaalsContact C-N 3.31Å; I224-F226 PolarHBondContact O-N 3.09Å; I224-R227 PolarHBondContact O-N 2.98Å; I224-L228 HydrophobicContact CG2-CD1 3.57Å; I224-L228 HydrophobicContact CG2-CG 4.32Å; I224-L228 WeakPolarHBondContact O-CB 3.27Å; I224-L228 VanDerWaalsContact O-CG 3.26Å; I224-L228 WeakPolarHBondContact O-CG 3.47Å; I224-L228 PolarHBondContact O-N 2.87Å; I224-I236 HydrophobicContact CB-CG2 3.86Å; I224-I236 HydrophobicContact CG2-CG2 3.54Å; I224-V240 HydrophobicContact CD1-CG2 4.03Å; I224-A248 HydrophobicContact CD1-CB 3.75Å; I224-L252 HydrophobicContact CG1-CD1 4.44Å; I224-L252 HydrophobicContact CG1-CD2 4.15Å; I224-L252 HydrophobicContact CG2-CD1 4.4Å; I224-F279 HydrophobicContact CG2-CE2 4.22Å; I224-F279 HydrophobicContact CG2-CZ 4.1Å |
| 225 | A | 92.7 | Very high | 90.1 | Very high | 2 Ų | 2 | 61 Ų | 61 | 2% | 0.017 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.8 | -37.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A221 E223 Q229 E230 K233 I236 | A221-A225 VanDerWaalsContact O-CB 3.3Å; A221-A225 WeakPolarHBondContact O-CB 3.13Å; A221-A225 PolarHBondContact O-N 3.28Å; E223-A225 VanDerWaalsContact C-N 3.34Å; E223-A225 PolarHBondContact O-N 2.82Å; A225-Q229 WeakPolarHBondContact O-CA 3.49Å; A225-Q229 PolarHBondContact O-N 3.41Å; A225-E230 PolarHBondContact O-N 2.91Å; A225-K233 HydrophobicContact CB-CB 4.44Å; A225-K233 HydrophobicContact CB-CG 4.09Å; A225-I236 HydrophobicContact CB-CB 4.31Å; A225-I236 HydrophobicContact CB-CG1 4.18Å; A225-I236 HydrophobicContact CB-CG2 4.41Å |
| 226 | F | 91.1 | Very high | 90.4 | Very high | 78 Ų | 78 | 58.4 Ų | 58.4 | 34% | 0.342 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -71.7 | -40.1 | 175.4 | -178.7 | -99.5 | 0 | 0 | 0 | 113.3 | N204 R208 D222 E223 I224 Q229 | N204-F226 PolarHBondContact ND2-O 2.7Å; R208-F226 HydrophobicContact CG-CD1 3.87Å; R208-F226 HydrophobicContact CG-CE1 3.55Å; R208-F226 HydrophobicContact CG-CZ 4.05Å; R208-F226 VanDerWaalsContact CZ-CG 3.44Å; D222-F226 VanDerWaalsContact O-CB 3.32Å; D222-F226 WeakPolarHBondContact O-CB 3.16Å; D222-F226 PolarHBondContact O-N 3.21Å; D222-F226 VanDerWaalsContact O-N 3.13Å; E223-F226 PolarHBondContact O-N 3.31Å; I224-F226 VanDerWaalsContact C-N 3.31Å; I224-F226 PolarHBondContact O-N 3.09Å; F226-Q229 PolarHBondContact O-N 3.41Å |
| 227 | R | 90.1 | Very high | 90.5 | Very high | 37 Ų | 37 | 57.5 Ų | 57.5 | 14% | 0.14 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.6 | -41.2 | 176.1 | -76.4 | -173.4 | 162.1 | 169.9 | 0.2 | 111.9 | M203 N204 K206 Y209 E223 I224 L252 | M203-R227 HydrophobicContact CE-CB 4.49Å; M203-R227 WeakPolarHBondContact CG-O 3.25Å; N204-R227 PolarHBondContact N-O 3.2Å; N204-R227 WeakPolarHBondContact O-CG 3.43Å; K206-R227 PolarHBondContact O-NH2 2.78Å; Y209-R227 PolarHBondContact O-NH2 3.16Å; E223-R227 WeakPolarHBondContact O-CB 3.47Å; E223-R227 WeakPolarHBondContact O-CG 3.49Å; E223-R227 PolarHBondContact O-N 2.85Å; E223-R227 IonicContact OE1-NE 2.61Å; I224-R227 PolarHBondContact O-N 2.98Å; R227-L252 HydrophobicContact CB-CD1 4.33Å |
| 228 | L | 89.7 | Confident | 90.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -83.5 | -8.1 | 179.1 | -60.4 | 174.5 | 0 | 0 | 0 | 114.2 | M203 I224 E230 L252 T255 P275 F279 | M203-L228 HydrophobicContact CE-CD2 4.06Å; M203-L228 HydrophobicContact SD-CD2 4.45Å; I224-L228 HydrophobicContact CG2-CD1 3.57Å; I224-L228 HydrophobicContact CG2-CG 4.32Å; I224-L228 WeakPolarHBondContact O-CB 3.27Å; I224-L228 VanDerWaalsContact O-CG 3.26Å; I224-L228 WeakPolarHBondContact O-CG 3.47Å; I224-L228 PolarHBondContact O-N 2.87Å; L228-E230 VanDerWaalsContact C-N 3.26Å; L228-E230 HydrophobicContact CB-CG 3.9Å; L228-E230 PolarHBondContact O-N 3.45Å; L228-L252 HydrophobicContact CD2-CD1 4.18Å; L228-L252 HydrophobicContact CG-CD1 4.26Å; L228-T255 HydrophobicContact CD2-CG2 3.78Å; L228-P275 HydrophobicContact CD2-CB 4.25Å; L228-F279 HydrophobicContact CD1-CB 3.68Å; L228-F279 HydrophobicContact CD1-CD1 3.85Å; L228-F279 HydrophobicContact CD1-CD2 3.91Å; L228-F279 HydrophobicContact CD1-CE1 4.44Å; L228-F279 HydrophobicContact CD1-CE2 4.49Å; L228-F279 HydrophobicContact CD1-CG 3.55Å; L228-F279 HydrophobicContact CD2-CB 4.2Å |
| 229 | Q | 86.4 | Confident | 90.6 | Very high | 93 Ų | 93 | 47.8 Ų | 47.8 | 44% | 0.435 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 39.8 | -172.5 | -56.1 | -167.6 | 11.7 | 0 | 0 | 113.6 | V201 E202 N204 A225 F226 | V201-Q229 HydrophobicContact CG1-CB 3.8Å; V201-Q229 HydrophobicContact CG1-CG 4.32Å; E202-Q229 PolarHBondContact O-NE2 3.45Å; E202-Q229 VanDerWaalsContact O-NE2 3.13Å; N204-Q229 PolarHBondContact ND2-NE2 3.28Å; N204-Q229 VanDerWaalsContact ND2-NE2 3.17Å; N204-Q229 PolarHBondContact OD1-NE2 2.95Å; A225-Q229 WeakPolarHBondContact O-CA 3.49Å; A225-Q229 PolarHBondContact O-N 3.41Å; F226-Q229 PolarHBondContact O-N 3.41Å |
| 230 | E | 87.1 | Confident | 90.8 | Very high | 33 Ų | 33 | 41 Ų | 41 | 15% | 0.154 | 21% | 0.21 | C | C | . | . | trans | -82.9 | 129.9 | -175.7 | -80.9 | -64.5 | 138.8 | 0 | 0 | 112.3 | A225 L228 K232 G276 | A225-E230 PolarHBondContact O-N 2.91Å; L228-E230 VanDerWaalsContact C-N 3.26Å; L228-E230 HydrophobicContact CB-CG 3.9Å; L228-E230 PolarHBondContact O-N 3.45Å; E230-K232 VanDerWaalsContact C-N 3.28Å; E230-K232 PolarHBondContact O-N 2.99Å; E230-G276 WeakPolarHBondContact OE1-CA 3.42Å | ||
| 231 | P | 85.8 | Confident | 90.9 | Very high | 116 Ų | 116 | 50 Ų | 50 | 75% | 0.753 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -72.6 | -20.2 | -179.2 | 28.9 | -35.2 | 0 | 0 | 0 | 113.2 | ||
| 232 | K | 87.3 | Confident | 90.8 | Very high | 98 Ų | 98 | 51.4 Ų | 51.4 | 43% | 0.426 | 25% | 0.25 | S | C | . | . | trans | -105.4 | 72 | -176.7 | -61.8 | -171.1 | -175.4 | -175.1 | 0 | 111.3 | E230 D234 L235 E301 | E230-K232 VanDerWaalsContact C-N 3.28Å; E230-K232 PolarHBondContact O-N 2.99Å; K232-D234 VanDerWaalsContact C-N 3.26Å; K232-D234 PolarHBondContact O-N 3.43Å; K232-L235 HydrophobicContact CB-CB 4.19Å; K232-L235 WeakPolarHBondContact O-CB 3.41Å; K232-L235 PolarHBondContact O-N 2.87Å; K232-L235 VanDerWaalsContact O-N 3.07Å; K232-E301 WeakPolarHBondContact CD-OE2 3.48Å; K232-E301 IonicContact NZ-OE1 3.16Å; K232-E301 PolarHBondContact NZ-OE1 3.27Å; K232-E301 IonicContact NZ-OE2 2.77Å; K232-E301 PolarHBondContact NZ-OE2 3.22Å | ||
| 233 | K | 90.8 | Very high | 90.7 | Very high | 103 Ų | 103 | 49.2 Ų | 49.2 | 45% | 0.448 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -54.4 | -41.3 | -180 | -59.8 | -173.6 | 170.7 | -160.8 | 0 | 113.1 | D222 A225 L235 I236 A237 | D222-K233 IonicContact OD1-NZ 3.4Å; D222-K233 PolarHBondContact OD1-NZ 3.1Å; D222-K233 VanDerWaalsContact OD1-NZ 3.12Å; A225-K233 HydrophobicContact CB-CB 4.44Å; A225-K233 HydrophobicContact CB-CG 4.09Å; K233-L235 PolarHBondContact O-N 2.81Å; K233-L235 VanDerWaalsContact O-N 3.13Å; K233-I236 WeakPolarHBondContact O-CA 3.41Å; K233-I236 WeakPolarHBondContact O-CB 3.37Å; K233-I236 PolarHBondContact O-N 3.18Å; K233-A237 PolarHBondContact O-N 2.89Å |
| 234 | D | 91.3 | Very high | 90.8 | Very high | 123 Ų | 123 | 50.1 Ų | 50.1 | 66% | 0.658 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -60.3 | -23.7 | 179.5 | -42.3 | -22.2 | 0 | 0 | 0 | 113.6 | K232 R238 | K232-D234 VanDerWaalsContact C-N 3.26Å; K232-D234 PolarHBondContact O-N 3.43Å; D234-R238 WeakPolarHBondContact O-CG 3.31Å; D234-R238 PolarHBondContact O-N 2.9Å; D234-R238 PolarHBondContact O-NE 3.37Å; D234-R238 VanDerWaalsContact O-NE 3.1Å |
| 235 | L | 92 | Very high | 90.8 | Very high | 10 Ų | 10 | 51.1 Ų | 51.1 | 5% | 0.052 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72.8 | -45.1 | 172.6 | -178.3 | 64.1 | 0 | 0 | 0 | 110.2 | K232 K233 R238 V239 L280 I297 F298 | K232-L235 HydrophobicContact CB-CB 4.19Å; K232-L235 WeakPolarHBondContact O-CB 3.41Å; K232-L235 PolarHBondContact O-N 2.87Å; K232-L235 VanDerWaalsContact O-N 3.07Å; K233-L235 PolarHBondContact O-N 2.81Å; K233-L235 VanDerWaalsContact O-N 3.13Å; L235-R238 PolarHBondContact O-N 3.29Å; L235-V239 VanDerWaalsContact O-CG2 3.32Å; L235-V239 WeakPolarHBondContact O-CG2 3.38Å; L235-V239 PolarHBondContact O-N 2.87Å; L235-L280 HydrophobicContact CD2-CD1 3.87Å; L235-L280 HydrophobicContact CD2-CD2 4.19Å; L235-I297 HydrophobicContact CD1-CG2 3.86Å; L235-F298 HydrophobicContact CD1-CD1 4.26Å; L235-F298 HydrophobicContact CD1-CE1 4.2Å; L235-F298 HydrophobicContact CD2-CE1 4.11Å |
| 236 | I | 92.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.4 | -39.2 | 177.3 | -55.1 | -57.4 | 0 | 0 | 0 | 111.1 | A221 I224 A225 K233 R238 V239 V240 F279 | A221-I236 HydrophobicContact CB-CG2 4.32Å; A221-I236 WeakPolarHBondContact O-CG2 3.32Å; I224-I236 HydrophobicContact CB-CG2 3.86Å; I224-I236 HydrophobicContact CG2-CG2 3.54Å; A225-I236 HydrophobicContact CB-CB 4.31Å; A225-I236 HydrophobicContact CB-CG1 4.18Å; A225-I236 HydrophobicContact CB-CG2 4.41Å; K233-I236 WeakPolarHBondContact O-CA 3.41Å; K233-I236 WeakPolarHBondContact O-CB 3.37Å; K233-I236 PolarHBondContact O-N 3.18Å; I236-R238 VanDerWaalsContact C-N 3.3Å; I236-R238 PolarHBondContact O-N 3.5Å; I236-V239 WeakPolarHBondContact O-CB 3.43Å; I236-V239 PolarHBondContact O-N 3.41Å; I236-V240 WeakPolarHBondContact O-CG2 3.36Å; I236-V240 PolarHBondContact O-N 3.15Å; I236-F279 HydrophobicContact CD1-CD1 4.13Å; I236-F279 HydrophobicContact CD1-CE1 3.89Å |
| 237 | A | 93.1 | Very high | 90.7 | Very high | 43 Ų | 43 | 56.1 Ų | 56.1 | 36% | 0.355 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.4 | -41.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A221 K233 V240 R241 | A221-A237 HydrophobicContact CB-CB 4.14Å; K233-A237 PolarHBondContact O-N 2.89Å; A237-V240 PolarHBondContact O-N 3.16Å; A237-R241 WeakPolarHBondContact O-CB 3.47Å; A237-R241 PolarHBondContact O-N 3.34Å |
| 238 | R | 92.8 | Very high | 90.8 | Very high | 41 Ų | 41 | 54.3 Ų | 54.3 | 16% | 0.155 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.8 | -37.9 | 175.8 | -71.3 | -179.6 | -65.7 | 134.8 | 0.9 | 112.9 | D234 L235 I236 R241 I242 I297 | D234-R238 WeakPolarHBondContact O-CG 3.31Å; D234-R238 PolarHBondContact O-N 2.9Å; D234-R238 PolarHBondContact O-NE 3.37Å; D234-R238 VanDerWaalsContact O-NE 3.1Å; L235-R238 PolarHBondContact O-N 3.29Å; I236-R238 VanDerWaalsContact C-N 3.3Å; I236-R238 PolarHBondContact O-N 3.5Å; R238-R241 PolarHBondContact O-N 3.18Å; R238-I242 WeakPolarHBondContact O-CB 3.17Å; R238-I242 WeakPolarHBondContact O-CG1 3.49Å; R238-I242 PolarHBondContact O-N 3.33Å; R238-I297 PolarHBondContact NH1-O 3.21Å |
| 239 | V | 92.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -54.9 | -53 | 170.9 | 168.9 | 0 | 0 | 0 | 0 | 110.4 | L235 I236 R241 I242 I243 F279 L283 I297 | L235-V239 VanDerWaalsContact O-CG2 3.32Å; L235-V239 WeakPolarHBondContact O-CG2 3.38Å; L235-V239 PolarHBondContact O-N 2.87Å; I236-V239 WeakPolarHBondContact O-CB 3.43Å; I236-V239 PolarHBondContact O-N 3.41Å; V239-R241 VanDerWaalsContact C-N 3.33Å; V239-R241 PolarHBondContact O-N 2.81Å; V239-I242 PolarHBondContact O-N 2.8Å; V239-I243 HydrophobicContact CB-CD1 4.32Å; V239-I243 HydrophobicContact CG1-CD1 3.46Å; V239-I243 VanDerWaalsContact CG1-CD1 3.46Å; V239-I243 WeakPolarHBondContact O-CD1 3.42Å; V239-I243 VanDerWaalsContact O-CG1 3.26Å; V239-I243 WeakPolarHBondContact O-CG1 3.47Å; V239-I243 PolarHBondContact O-N 2.86Å; V239-I243 VanDerWaalsContact O-N 3.12Å; V239-F279 HydrophobicContact CG1-CE1 3.9Å; V239-F279 HydrophobicContact CG1-CZ 3.9Å; V239-L283 HydrophobicContact CG1-CD2 4.42Å; V239-L283 HydrophobicContact CG2-CD2 3.79Å; V239-I297 HydrophobicContact CG2-CD1 4.25Å; V239-I297 HydrophobicContact CG2-CG1 4.48Å; V239-I297 HydrophobicContact CG2-CG2 3.63Å |
| 240 | V | 93.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.9 | -38.4 | 179 | -180 | 0 | 0 | 0 | 0 | 111.8 | Q217 V220 A221 I224 I236 A237 G244 T245 A248 | Q217-V240 HydrophobicContact CB-CG1 4Å; Q217-V240 HydrophobicContact CG-CG1 4.43Å; V220-V240 HydrophobicContact CB-CG1 4.45Å; V220-V240 HydrophobicContact CG1-CG1 4.3Å; V220-V240 HydrophobicContact CG1-CG2 4.37Å; A221-V240 HydrophobicContact CB-CB 4.28Å; A221-V240 HydrophobicContact CB-CG2 3.86Å; I224-V240 HydrophobicContact CD1-CG2 4.03Å; I236-V240 WeakPolarHBondContact O-CG2 3.36Å; I236-V240 PolarHBondContact O-N 3.15Å; A237-V240 PolarHBondContact O-N 3.16Å; V240-G244 CarbonylContact O-C 3.49Å; V240-G244 WeakPolarHBondContact O-CA 3.3Å; V240-G244 PolarHBondContact O-N 3.32Å; V240-T245 HydrophobicContact CG1-CG2 4.08Å; V240-A248 HydrophobicContact CB-CB 4.49Å; V240-A248 HydrophobicContact CG2-CB 3.76Å |
| 241 | R | 93.4 | Very high | 91.4 | Very high | 188 Ų | 188 | 53.7 Ų | 53.7 | 71% | 0.709 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -68.4 | -35.5 | -179.8 | -164.5 | 171.9 | 86.3 | 144.2 | 4.1 | 113.9 | A237 R238 V239 | A237-R241 WeakPolarHBondContact O-CB 3.47Å; A237-R241 PolarHBondContact O-N 3.34Å; R238-R241 PolarHBondContact O-N 3.18Å; V239-R241 VanDerWaalsContact C-N 3.33Å; V239-R241 PolarHBondContact O-N 2.81Å |
| 242 | I | 91.6 | Very high | 91.7 | Very high | 37 Ų | 37 | 48.5 Ų | 48.5 | 19% | 0.19 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -87.6 | -32.2 | -173.9 | -69.9 | 164 | 0 | 0 | 0 | 112.3 | R238 V239 Q293 D296 I297 | R238-I242 WeakPolarHBondContact O-CB 3.17Å; R238-I242 WeakPolarHBondContact O-CG1 3.49Å; R238-I242 PolarHBondContact O-N 3.33Å; V239-I242 PolarHBondContact O-N 2.8Å; I242-Q293 HydrophobicContact CG2-CB 3.68Å; I242-Q293 HydrophobicContact CG2-CG 3.74Å; I242-Q293 PolarHBondContact O-NE2 2.97Å; I242-D296 HydrophobicContact CD1-CB 4.23Å; I242-D296 WeakPolarHBondContact CD1-OD2 3.33Å; I242-I297 HydrophobicContact CB-CD1 4.35Å; I242-I297 HydrophobicContact CB-CG1 4.08Å; I242-I297 HydrophobicContact CD1-CB 4.41Å; I242-I297 HydrophobicContact CD1-CG1 3.52Å; I242-I297 HydrophobicContact CG1-CG1 4.38Å; I242-I297 HydrophobicContact CG2-CD1 4.21Å; I242-I297 HydrophobicContact CG2-CG1 4.15Å |
| 243 | I | 90.6 | Very high | 91.9 | Very high | 26 Ų | 26 | 49.3 Ų | 49.3 | 13% | 0.133 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -104.7 | -24.7 | -175.3 | -40.3 | 155.8 | 0 | 0 | 0 | 111.8 | V239 K247 L283 I289 I297 | V239-I243 HydrophobicContact CB-CD1 4.32Å; V239-I243 HydrophobicContact CG1-CD1 3.46Å; V239-I243 VanDerWaalsContact CG1-CD1 3.46Å; V239-I243 WeakPolarHBondContact O-CD1 3.42Å; V239-I243 VanDerWaalsContact O-CG1 3.26Å; V239-I243 WeakPolarHBondContact O-CG1 3.47Å; V239-I243 PolarHBondContact O-N 2.86Å; V239-I243 VanDerWaalsContact O-N 3.12Å; I243-K247 HydrophobicContact CB-CB 4.46Å; I243-K247 HydrophobicContact CG2-CB 3.52Å; I243-K247 HydrophobicContact CG2-CG 4.1Å; I243-L283 HydrophobicContact CD1-CD1 3.38Å; I243-I289 HydrophobicContact CD1-CD1 3.95Å; I243-I289 HydrophobicContact CG1-CD1 4.32Å; I243-I289 HydrophobicContact CG1-CG2 4.47Å; I243-I289 HydrophobicContact CG2-CD1 3.77Å; I243-I289 HydrophobicContact CG2-CG1 3.95Å; I243-I297 HydrophobicContact CD1-CD1 3.91Å; I243-I297 HydrophobicContact CG1-CD1 4Å |
| 244 | G | 91.6 | Very high | 91.9 | Very high | 23 Ų | 23 | 48 Ų | 48 | 24% | 0.237 | 23% | 0.234 | C | C | . | . | trans | 96.3 | 161.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | V240 A248 | V240-G244 CarbonylContact O-C 3.49Å; V240-G244 WeakPolarHBondContact O-CA 3.3Å; V240-G244 PolarHBondContact O-N 3.32Å; G244-A248 WeakPolarHBondContact O-CB 3.5Å; G244-A248 PolarHBondContact O-N 3.38Å; G244-A248 VanDerWaalsContact O-N 3.16Å | ||
| 245 | T | 91.9 | Very high | 92 | Very high | 21 Ų | 21 | 42.1 Ų | 42.1 | 13% | 0.129 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61 | -50.6 | -177.1 | 52.3 | 0 | 0 | 0 | 0 | 112.4 | E213 Q217 V220 V240 K247 A248 I249 | E213-T245 PolarHBondContact O-OG1 3.49Å; Q217-T245 HydrophobicContact CG-CG2 3.95Å; V220-T245 HydrophobicContact CB-CG2 4.41Å; V220-T245 HydrophobicContact CG2-CG2 4.01Å; V240-T245 HydrophobicContact CG1-CG2 4.08Å; T245-K247 PolarHBondContact O-N 3.42Å; T245-A248 PolarHBondContact O-N 3.22Å; T245-A248 VanDerWaalsContact O-N 3.13Å; T245-I249 WeakPolarHBondContact O-CG1 3.43Å; T245-I249 PolarHBondContact O-N 3.19Å |
| 246 | K | 91.6 | Very high | 92 | Very high | 113 Ų | 113 | 42.5 Ų | 42.5 | 49% | 0.491 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -51.7 | -53.9 | -178.6 | -56.1 | -176.3 | -174.1 | -101.6 | 0 | 111.9 | E213 A248 I249 E250 | E213-K246 HydrophobicContact CB-CG 4.18Å; E213-K246 HydrophobicContact CG-CG 4.11Å; E213-K246 WeakPolarHBondContact OE2-CE 3.31Å; E213-K246 IonicContact OE2-NZ 2.88Å; E213-K246 PolarHBondContact OE2-NZ 2.79Å; K246-A248 PolarHBondContact O-N 2.93Å; K246-I249 PolarHBondContact O-N 2.77Å; K246-I249 VanDerWaalsContact O-N 3.16Å; K246-E250 PolarHBondContact O-N 3.01Å |
| 247 | K | 90.1 | Very high | 92 | Very high | 72 Ų | 72 | 48 Ų | 48 | 31% | 0.313 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.2 | -33.4 | 179.7 | -71.1 | -66.1 | 173.7 | -146 | 0 | 113.7 | I243 T245 I249 E250 L251 | I243-K247 HydrophobicContact CB-CB 4.46Å; I243-K247 HydrophobicContact CG2-CB 3.52Å; I243-K247 HydrophobicContact CG2-CG 4.1Å; T245-K247 PolarHBondContact O-N 3.42Å; K247-I249 VanDerWaalsContact C-N 3.32Å; K247-E250 WeakPolarHBondContact CD-OE2 3.27Å; K247-E250 IonicContact NZ-OE1 2.82Å; K247-E250 PolarHBondContact NZ-OE1 2.86Å; K247-E250 IonicContact NZ-OE2 2.65Å; K247-E250 PolarHBondContact NZ-OE2 2.87Å; K247-E250 PolarHBondContact O-N 3.29Å; K247-L251 WeakPolarHBondContact O-CB 3.26Å; K247-L251 WeakPolarHBondContact O-CG 3.42Å; K247-L251 PolarHBondContact O-N 3.3Å |
| 248 | A | 92 | Very high | 91.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68 | -31.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I224 V240 G244 T245 K246 L252 | I224-A248 HydrophobicContact CD1-CB 3.75Å; V240-A248 HydrophobicContact CB-CB 4.49Å; V240-A248 HydrophobicContact CG2-CB 3.76Å; G244-A248 WeakPolarHBondContact O-CB 3.5Å; G244-A248 PolarHBondContact O-N 3.38Å; G244-A248 VanDerWaalsContact O-N 3.16Å; T245-A248 PolarHBondContact O-N 3.22Å; T245-A248 VanDerWaalsContact O-N 3.13Å; K246-A248 PolarHBondContact O-N 2.93Å; A248-L252 WeakPolarHBondContact O-CB 3.48Å; A248-L252 PolarHBondContact O-N 3.43Å; A248-L252 VanDerWaalsContact O-N 3.15Å |
| 249 | I | 91.4 | Very high | 91.8 | Very high | 25 Ų | 25 | 45.7 Ų | 45.7 | 13% | 0.128 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -73 | -44 | 173.9 | -64.5 | 162.6 | 0 | 0 | 0 | 110.7 | I211 E213 V220 T245 K246 K247 L251 L252 M253 | I211-I249 HydrophobicContact CG2-CD1 3.76Å; I211-I249 HydrophobicContact CG2-CG1 3.9Å; E213-I249 HydrophobicContact CG-CD1 4.34Å; V220-I249 HydrophobicContact CG1-CG1 4.31Å; T245-I249 WeakPolarHBondContact O-CG1 3.43Å; T245-I249 PolarHBondContact O-N 3.19Å; K246-I249 PolarHBondContact O-N 2.77Å; K246-I249 VanDerWaalsContact O-N 3.16Å; K247-I249 VanDerWaalsContact C-N 3.32Å; I249-L251 PolarHBondContact O-N 2.92Å; I249-L252 WeakPolarHBondContact O-CB 3.4Å; I249-L252 PolarHBondContact O-N 2.96Å; I249-L252 VanDerWaalsContact O-N 3.1Å; I249-M253 PolarHBondContact O-N 2.89Å |
| 250 | E | 92.2 | Very high | 91.6 | Very high | 82 Ų | 82 | 52 Ų | 52 | 38% | 0.383 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -54 | -52.1 | 172.5 | -70.6 | 174.5 | -144.7 | 0 | 0 | 111.2 | K246 K247 L252 M253 E254 | K246-E250 PolarHBondContact O-N 3.01Å; K247-E250 WeakPolarHBondContact CD-OE2 3.27Å; K247-E250 IonicContact NZ-OE1 2.82Å; K247-E250 PolarHBondContact NZ-OE1 2.86Å; K247-E250 IonicContact NZ-OE2 2.65Å; K247-E250 PolarHBondContact NZ-OE2 2.87Å; K247-E250 PolarHBondContact O-N 3.29Å; E250-L252 VanDerWaalsContact C-N 3.25Å; E250-L252 PolarHBondContact O-N 3.24Å; E250-M253 WeakPolarHBondContact O-CB 3.39Å; E250-M253 PolarHBondContact O-N 3.42Å; E250-E254 PolarHBondContact O-N 2.93Å |
| 251 | L | 92.4 | Very high | 91.4 | Very high | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.8 | -33.1 | 176.3 | -76.5 | 170.8 | 0 | 0 | 0 | 113.3 | K247 I249 T255 F279 L282 L283 T286 I289 | K247-L251 WeakPolarHBondContact O-CB 3.26Å; K247-L251 WeakPolarHBondContact O-CG 3.42Å; K247-L251 PolarHBondContact O-N 3.3Å; I249-L251 PolarHBondContact O-N 2.92Å; L251-T255 WeakPolarHBondContact O-CB 3.23Å; L251-T255 PolarHBondContact O-N 3.42Å; L251-T255 PolarHBondContact O-OG1 3.31Å; L251-F279 HydrophobicContact CB-CD2 4.03Å; L251-F279 HydrophobicContact CB-CE2 3.55Å; L251-F279 HydrophobicContact CB-CZ 4.35Å; L251-F279 HydrophobicContact CD1-CE2 4.42Å; L251-F279 HydrophobicContact CD1-CZ 4.46Å; L251-L282 HydrophobicContact CD2-CB 3.94Å; L251-L283 HydrophobicContact CD1-CD1 4.2Å; L251-T286 HydrophobicContact CD2-CG2 3.68Å; L251-I289 HydrophobicContact CD1-CD1 4.13Å |
| 252 | L | 91.5 | Very high | 90.9 | Very high | 8 Ų | 8 | 51.6 Ų | 51.6 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69 | -39.4 | 175.9 | -177.6 | 72.7 | 0 | 0 | 0 | 111.3 | M203 I211 I224 R227 L228 A248 I249 E250 T255 A256 | M203-L252 HydrophobicContact CE-CD1 3.55Å; M203-L252 HydrophobicContact CE-CG 4.23Å; I211-L252 HydrophobicContact CD1-CD2 3.77Å; I224-L252 HydrophobicContact CG1-CD1 4.44Å; I224-L252 HydrophobicContact CG1-CD2 4.15Å; I224-L252 HydrophobicContact CG2-CD1 4.4Å; R227-L252 HydrophobicContact CB-CD1 4.33Å; L228-L252 HydrophobicContact CD2-CD1 4.18Å; L228-L252 HydrophobicContact CG-CD1 4.26Å; A248-L252 WeakPolarHBondContact O-CB 3.48Å; A248-L252 PolarHBondContact O-N 3.43Å; A248-L252 VanDerWaalsContact O-N 3.15Å; I249-L252 WeakPolarHBondContact O-CB 3.4Å; I249-L252 PolarHBondContact O-N 2.96Å; I249-L252 VanDerWaalsContact O-N 3.1Å; E250-L252 VanDerWaalsContact C-N 3.25Å; E250-L252 PolarHBondContact O-N 3.24Å; L252-T255 PolarHBondContact O-N 2.85Å; L252-A256 PolarHBondContact O-N 3.48Å |
| 253 | M | 91.3 | Very high | 90.7 | Very high | 115 Ų | 115 | 50.5 Ų | 50.5 | 57% | 0.567 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -66 | -49.3 | 175.5 | -69.1 | -178.3 | 60.1 | 0 | 0 | 111.2 | I249 E250 T255 A256 E257 | I249-M253 PolarHBondContact O-N 2.89Å; E250-M253 WeakPolarHBondContact O-CB 3.39Å; E250-M253 PolarHBondContact O-N 3.42Å; M253-T255 VanDerWaalsContact C-N 3.25Å; M253-T255 PolarHBondContact O-N 3.04Å; M253-A256 WeakPolarHBondContact O-CB 3.44Å; M253-A256 PolarHBondContact O-N 2.91Å; M253-E257 PolarHBondContact O-N 2.66Å |
| 254 | E | 91.7 | Very high | 90.5 | Very high | 74 Ų | 74 | 52 Ų | 52 | 35% | 0.346 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -55.5 | -41.7 | 173.5 | -68.3 | -179.5 | -177.9 | 0 | 0 | 111.6 | E250 A256 E257 V258 L282 | E250-E254 PolarHBondContact O-N 2.93Å; E254-A256 VanDerWaalsContact C-N 3.33Å; E254-A256 PolarHBondContact O-N 3.27Å; E254-E257 PolarHBondContact O-N 2.97Å; E254-V258 WeakPolarHBondContact O-CB 3.14Å; E254-V258 VanDerWaalsContact O-CG2 3.24Å; E254-V258 WeakPolarHBondContact O-CG2 3.36Å; E254-V258 PolarHBondContact O-N 3.48Å; E254-L282 HydrophobicContact CB-CD1 3.84Å |
| 255 | T | 92.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 176.5 | -59 | 0 | 0 | 0 | 0 | 111.9 | M203 L228 L251 L252 M253 E259 P275 V278 F279 L282 | M203-T255 HydrophobicContact SD-CG2 4.41Å; L228-T255 HydrophobicContact CD2-CG2 3.78Å; L251-T255 WeakPolarHBondContact O-CB 3.23Å; L251-T255 PolarHBondContact O-N 3.42Å; L251-T255 PolarHBondContact O-OG1 3.31Å; L252-T255 PolarHBondContact O-N 2.85Å; M253-T255 VanDerWaalsContact C-N 3.25Å; M253-T255 PolarHBondContact O-N 3.04Å; T255-E259 WeakPolarHBondContact O-CB 3.34Å; T255-E259 PolarHBondContact O-N 3.19Å; T255-P275 WeakPolarHBondContact CG2-O 3.25Å; T255-V278 HydrophobicContact CG2-CB 4.24Å; T255-V278 HydrophobicContact CG2-CG1 4.12Å; T255-F279 HydrophobicContact CG2-CB 4.15Å; T255-F279 WeakPolarHBondContact OG1-CA 3.47Å; T255-L282 WeakPolarHBondContact OG1-CD1 3.48Å |
| 256 | A | 91.6 | Very high | 90.2 | Very high | 19 Ų | 19 | 57.6 Ų | 57.6 | 16% | 0.157 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.7 | -42.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | M203 Y205 L252 M253 E254 E259 Q260 | M203-A256 HydrophobicContact CE-CB 4.07Å; M203-A256 HydrophobicContact SD-CB 4.16Å; Y205-A256 HydrophobicContact CD1-CB 4.4Å; Y205-A256 HydrophobicContact CE1-CB 4.44Å; L252-A256 PolarHBondContact O-N 3.48Å; M253-A256 WeakPolarHBondContact O-CB 3.44Å; M253-A256 PolarHBondContact O-N 2.91Å; E254-A256 VanDerWaalsContact C-N 3.33Å; E254-A256 PolarHBondContact O-N 3.27Å; A256-E259 PolarHBondContact O-N 2.68Å; A256-Q260 WeakPolarHBondContact O-CB 3.31Å; A256-Q260 VanDerWaalsContact O-CG 3.25Å; A256-Q260 WeakPolarHBondContact O-CG 3.36Å; A256-Q260 PolarHBondContact O-N 2.78Å |
| 257 | E | 92.3 | Very high | 89.7 | Confident | 115 Ų | 115 | 60.6 Ų | 60.6 | 54% | 0.537 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.3 | -46.4 | 174.5 | -68.9 | -179 | -170.8 | 0 | 0 | 111.7 | M253 E254 E259 Q260 N261 | M253-E257 PolarHBondContact O-N 2.66Å; E254-E257 PolarHBondContact O-N 2.97Å; E257-E259 PolarHBondContact O-N 2.82Å; E257-Q260 PolarHBondContact O-N 2.98Å; E257-N261 WeakPolarHBondContact O-CB 3.37Å; E257-N261 VanDerWaalsContact O-CG 3.27Å; E257-N261 PolarHBondContact O-N 2.85Å; E257-N261 PolarHBondContact O-ND2 3.13Å |
| 258 | V | 91.8 | Very high | 89.4 | Confident | 33 Ų | 33 | 63.8 Ų | 63.8 | 20% | 0.2 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 179 | 170.8 | 0 | 0 | 0 | 0 | 111.8 | E254 N261 G262 G263 L264 V278 | E254-V258 WeakPolarHBondContact O-CB 3.14Å; E254-V258 VanDerWaalsContact O-CG2 3.24Å; E254-V258 WeakPolarHBondContact O-CG2 3.36Å; E254-V258 PolarHBondContact O-N 3.48Å; V258-N261 PolarHBondContact O-N 3.07Å; V258-G262 PolarHBondContact O-N 2.84Å; V258-G263 VanDerWaalsContact O-CA 3.26Å; V258-G263 WeakPolarHBondContact O-CA 3.34Å; V258-G263 PolarHBondContact O-N 2.92Å; V258-L264 HydrophobicContact CG1-CD1 4.22Å; V258-L264 HydrophobicContact CG1-CD2 3.93Å; V258-L264 HydrophobicContact CG1-CG 3.63Å; V258-V278 HydrophobicContact CB-CG1 4.13Å; V258-V278 HydrophobicContact CG1-CG1 3.6Å |
| 259 | E | 90.1 | Very high | 88.9 | Confident | 4 Ų | 4 | 66.1 Ų | 66.1 | 2% | 0.019 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -71.4 | -35.8 | 175.8 | 179.5 | 57 | -149.7 | 0 | 0 | 112.5 | R200 Y205 T255 A256 E257 N261 G262 R272 | R200-E259 IonicContact CZ-OE1 2.73Å; R200-E259 IonicContact NH2-OE1 3.95Å; R200-E259 PolarHBondContact NH2-OE1 2.99Å; Y205-E259 WeakPolarHBondContact OH-CG 3.45Å; T255-E259 WeakPolarHBondContact O-CB 3.34Å; T255-E259 PolarHBondContact O-N 3.19Å; A256-E259 PolarHBondContact O-N 2.68Å; E257-E259 PolarHBondContact O-N 2.82Å; E259-N261 VanDerWaalsContact C-N 3.34Å; E259-G262 PolarHBondContact O-N 3.12Å; E259-G262 VanDerWaalsContact O-N 3.15Å; E259-R272 VanDerWaalsContact CD-NH2 3.28Å; E259-R272 IonicContact OE1-CZ 2.81Å; E259-R272 IonicContact OE1-NH1 3.22Å; E259-R272 PolarHBondContact OE1-NH1 2.98Å; E259-R272 IonicContact OE1-NH2 3.49Å; E259-R272 PolarHBondContact OE1-NH2 3.46Å; E259-R272 IonicContact OE2-CZ 3.9Å; E259-R272 IonicContact OE2-NH1 3.47Å; E259-R272 PolarHBondContact OE2-NH1 3.47Å; E259-R272 IonicContact OE2-NH2 2.95Å; E259-R272 PolarHBondContact OE2-NH2 3.02Å; E259-R272 VanDerWaalsContact OE2-NH2 3.09Å |
| 260 | Q | 88.1 | Confident | 88.4 | Confident | 133 Ų | 133 | 68.8 Ų | 68.8 | 62% | 0.621 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -62.9 | -40.1 | 170.5 | -74.5 | 174.5 | 32 | 0 | 0 | 112 | Y205 A256 E257 G262 | Y205-Q260 HydrophobicContact CE1-CG 3.98Å; A256-Q260 WeakPolarHBondContact O-CB 3.31Å; A256-Q260 VanDerWaalsContact O-CG 3.25Å; A256-Q260 WeakPolarHBondContact O-CG 3.36Å; A256-Q260 PolarHBondContact O-N 2.78Å; E257-Q260 PolarHBondContact O-N 2.98Å; Q260-G262 PolarHBondContact O-N 3.35Å; Q260-G262 VanDerWaalsContact O-N 3.08Å |
| 261 | N | 89.1 | Confident | 87.9 | Confident | 140 Ų | 140 | 70.6 Ų | 70.6 | 75% | 0.749 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 7.4 | 174.4 | -70.4 | -37.6 | 0 | 0 | 0 | 113.9 | E257 V258 E259 | E257-N261 WeakPolarHBondContact O-CB 3.37Å; E257-N261 VanDerWaalsContact O-CG 3.27Å; E257-N261 PolarHBondContact O-N 2.85Å; E257-N261 PolarHBondContact O-ND2 3.13Å; V258-N261 PolarHBondContact O-N 3.07Å; E259-N261 VanDerWaalsContact C-N 3.34Å |
| 262 | G | 83.6 | Confident | 87.6 | Confident | 39 Ų | 39 | 73.2 Ų | 73.2 | 40% | 0.402 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 109.7 | -8.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115 | V258 E259 Q260 R272 | V258-G262 PolarHBondContact O-N 2.84Å; E259-G262 PolarHBondContact O-N 3.12Å; E259-G262 VanDerWaalsContact O-N 3.15Å; Q260-G262 PolarHBondContact O-N 3.35Å; Q260-G262 VanDerWaalsContact O-N 3.08Å; G262-R272 WeakPolarHBondContact O-CD 3.48Å; G262-R272 PolarHBondContact O-NH1 3.27Å |
| 263 | G | 86.5 | Confident | 87.5 | Confident | 14 Ų | 14 | 75.5 Ų | 75.5 | 14% | 0.144 | 40% | 0.397 | C | S | . | . | trans | 80.6 | 168.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | V258 | V258-G263 VanDerWaalsContact O-CA 3.26Å; V258-G263 WeakPolarHBondContact O-CA 3.34Å; V258-G263 PolarHBondContact O-N 2.92Å | ||
| 264 | L | 87.9 | Confident | 87.5 | Confident | 56 Ų | 56 | 73 Ų | 73 | 29% | 0.293 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -92.1 | 146.2 | 178.7 | -60.6 | 176.4 | 0 | 0 | 0 | 112.7 | V258 R272 R273 V278 N281 | V258-L264 HydrophobicContact CG1-CD1 4.22Å; V258-L264 HydrophobicContact CG1-CD2 3.93Å; V258-L264 HydrophobicContact CG1-CG 3.63Å; L264-R272 VanDerWaalsContact O-CG 3.22Å; L264-R272 WeakPolarHBondContact O-CG 3.47Å; L264-R273 PolarHBondContact O-N 3.39Å; L264-V278 HydrophobicContact CB-CG2 4.16Å; L264-V278 HydrophobicContact CD1-CG1 4.03Å; L264-V278 HydrophobicContact CG-CG1 4.24Å; L264-V278 HydrophobicContact CG-CG2 4.4Å; L264-N281 HydrophobicContact CD1-CB 4.31Å |
| 265 | F | 87.8 | Confident | 87.4 | Confident | 124 Ų | 124 | 69.5 Ų | 69.5 | 54% | 0.544 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -87.3 | 163.3 | 167 | -72.3 | -97.7 | 0 | 0 | 0 | 111.7 | R272 | F265-R272 HydrophobicContact CD1-CB 4.32Å; F265-R272 HydrophobicContact CE1-CB 4.13Å; F265-R272 HydrophobicContact CE2-CG 4.39Å; F265-R272 HydrophobicContact CZ-CB 4.41Å; F265-R272 HydrophobicContact CZ-CG 4.38Å |
| 266 | I | 87.7 | Confident | 87.3 | Confident | 38 Ų | 38 | 69.5 Ų | 69.5 | 20% | 0.195 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 152.8 | 164.3 | -63.7 | -170.2 | 0 | 0 | 0 | 108.8 | N268 G269 R271 R273 | I266-N268 PolarHBondContact O-N 3.37Å; I266-G269 WeakPolarHBondContact O-CA 3.39Å; I266-G269 PolarHBondContact O-N 2.86Å; I266-R271 HydrophobicContact CD1-CG 3.57Å; I266-R271 VanDerWaalsContact CD1-NH2 3.34Å; I266-R271 HydrophobicContact CG1-CG 4.05Å; I266-R271 PolarHBondContact N-O 3.26Å; I266-R273 HydrophobicContact CG1-CG 3.85Å |
| 267 | M | 82.8 | Confident | 87.2 | Confident | 177 Ų | 177 | 69.3 Ų | 69.3 | 87% | 0.872 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | -35.8 | 179.2 | -59.5 | 163.4 | 94.2 | 0 | 0 | 112.8 | G269 | M267-G269 PolarHBondContact O-N 3.1Š|
| 268 | N | 82.8 | Confident | 87.2 | Confident | 139 Ų | 139 | 63.9 Ų | 63.9 | 74% | 0.743 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | 6 | 177.6 | -60.1 | -4.4 | 0 | 0 | 0 | 114.6 | I266 S270 | I266-N268 PolarHBondContact O-N 3.37Å; N268-S270 PolarHBondContact O-N 3.47Å |
| 269 | G | 81.6 | Confident | 87.2 | Confident | 48 Ų | 48 | 62.3 Ų | 62.3 | 50% | 0.495 | 34% | 0.337 | S | S | . | . | S | Bend | trans | 62.7 | -11.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | I266 M267 R271 | I266-G269 WeakPolarHBondContact O-CA 3.39Å; I266-G269 PolarHBondContact O-N 2.86Å; M267-G269 PolarHBondContact O-N 3.1Å; G269-R271 PolarHBondContact O-N 3.04Å |
| 270 | S | 80.9 | Confident | 87.3 | Confident | 81 Ų | 81 | 63.4 Ų | 63.4 | 57% | 0.566 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -75.5 | -18.1 | -160.7 | 62.6 | 0 | 0 | 0 | 0 | 116 | N268 | N268-S270 PolarHBondContact O-N 3.47Š|
| 271 | R | 82.6 | Confident | 87.5 | Confident | 121 Ų | 121 | 58.1 Ų | 58.1 | 46% | 0.457 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -153.9 | 149.9 | 174.3 | 61.5 | 179.3 | 175.8 | 125.8 | 7.1 | 110.7 | L197 I266 G269 | L197-R271 HydrophobicContact CD1-CB 3.68Å; L197-R271 HydrophobicContact CD2-CB 3.73Å; L197-R271 HydrophobicContact CD2-CG 4.36Å; L197-R271 HydrophobicContact CG-CB 4.4Å; I266-R271 HydrophobicContact CD1-CG 3.57Å; I266-R271 VanDerWaalsContact CD1-NH2 3.34Å; I266-R271 HydrophobicContact CG1-CG 4.05Å; I266-R271 PolarHBondContact N-O 3.26Å; G269-R271 PolarHBondContact O-N 3.04Å |
| 272 | R | 86.3 | Confident | 87.7 | Confident | 59 Ų | 59 | 52.6 Ų | 52.6 | 22% | 0.223 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -69.1 | 152.1 | 165.2 | -151.7 | -177.7 | 71.2 | 153.9 | 9.3 | 110 | E259 G262 L264 F265 | E259-R272 VanDerWaalsContact CD-NH2 3.28Å; E259-R272 IonicContact OE1-CZ 2.81Å; E259-R272 IonicContact OE1-NH1 3.22Å; E259-R272 PolarHBondContact OE1-NH1 2.98Å; E259-R272 IonicContact OE1-NH2 3.49Å; E259-R272 PolarHBondContact OE1-NH2 3.46Å; E259-R272 IonicContact OE2-CZ 3.9Å; E259-R272 IonicContact OE2-NH1 3.47Å; E259-R272 PolarHBondContact OE2-NH1 3.47Å; E259-R272 IonicContact OE2-NH2 2.95Å; E259-R272 PolarHBondContact OE2-NH2 3.02Å; E259-R272 VanDerWaalsContact OE2-NH2 3.09Å; G262-R272 WeakPolarHBondContact O-CD 3.48Å; G262-R272 PolarHBondContact O-NH1 3.27Å; L264-R272 VanDerWaalsContact O-CG 3.22Å; L264-R272 WeakPolarHBondContact O-CG 3.47Å; F265-R272 HydrophobicContact CD1-CB 4.32Å; F265-R272 HydrophobicContact CE1-CB 4.13Å; F265-R272 HydrophobicContact CE2-CG 4.39Å; F265-R272 HydrophobicContact CZ-CB 4.41Å; F265-R272 HydrophobicContact CZ-CG 4.38Å |
| 273 | R | 89 | Confident | 88 | Confident | 57 Ų | 57 | 50.7 Ų | 50.7 | 22% | 0.215 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 158.9 | 170.8 | -60.5 | -160.5 | -173.6 | -160.5 | 9 | 110.8 | L264 I266 G277 V278 N281 | L264-R273 PolarHBondContact O-N 3.39Å; I266-R273 HydrophobicContact CG1-CG 3.85Å; R273-G277 WeakPolarHBondContact CD-O 3.38Å; R273-G277 PolarHBondContact NH1-O 2.89Å; R273-V278 HydrophobicContact CB-CG2 3.98Å; R273-N281 PolarHBondContact NH1-OD1 2.78Å; R273-N281 PolarHBondContact NH2-OD1 3.34Å |
| 274 | T | 89.8 | Confident | 88.1 | Confident | 63 Ų | 63 | 55.4 Ų | 55.4 | 39% | 0.387 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 158.6 | 164.2 | 48 | 0 | 0 | 0 | 0 | 109.6 | G276 G277 V278 | T274-G276 PolarHBondContact O-N 3.27Å; T274-G277 CarbonylContact O-C 3.55Å; T274-G277 VanDerWaalsContact O-CA 3.26Å; T274-G277 WeakPolarHBondContact O-CA 3.37Å; T274-G277 PolarHBondContact O-N 2.9Å; T274-G277 PolarHBondContact OG1-N 2.82Å; T274-V278 PolarHBondContact O-N 3.27Å |
| 275 | P | 90.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55.4 | -46 | 179.1 | 17.9 | -30.5 | 0 | 0 | 0 | 113.2 | V201 M203 L228 T255 G277 V278 F279 | V201-P275 HydrophobicContact CG1-CG 4.17Å; V201-P275 WeakPolarHBondContact O-CD 3.31Å; M203-P275 HydrophobicContact CB-CB 3.96Å; M203-P275 HydrophobicContact CB-CG 4.33Å; M203-P275 HydrophobicContact CG-CB 4.34Å; L228-P275 HydrophobicContact CD2-CB 4.25Å; T255-P275 WeakPolarHBondContact CG2-O 3.25Å; P275-G277 VanDerWaalsContact C-N 3.3Å; P275-G277 PolarHBondContact O-N 3.37Å; P275-V278 WeakPolarHBondContact O-CA 3.4Å; P275-V278 VanDerWaalsContact O-CB 3.31Å; P275-V278 WeakPolarHBondContact O-CB 3.42Å; P275-V278 PolarHBondContact O-N 2.88Å; P275-F279 PolarHBondContact O-N 3.37Å |
| 276 | G | 90.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.8 | -22.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E230 T274 V278 F279 L280 | E230-G276 WeakPolarHBondContact OE1-CA 3.42Å; T274-G276 PolarHBondContact O-N 3.27Å; G276-V278 VanDerWaalsContact C-N 3.28Å; G276-V278 PolarHBondContact O-N 3.37Å; G276-F279 PolarHBondContact O-N 2.98Å; G276-L280 WeakPolarHBondContact O-CB 3.39Å; G276-L280 VanDerWaalsContact O-CG 3.31Å; G276-L280 WeakPolarHBondContact O-CG 3.22Å; G276-L280 PolarHBondContact O-N 3.43Å |
| 277 | G | 90.1 | Very high | 87.5 | Confident | 15 Ų | 15 | 57.4 Ų | 57.4 | 16% | 0.155 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.9 | -19.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R273 T274 P275 | R273-G277 WeakPolarHBondContact CD-O 3.38Å; R273-G277 PolarHBondContact NH1-O 2.89Å; T274-G277 CarbonylContact O-C 3.55Å; T274-G277 VanDerWaalsContact O-CA 3.26Å; T274-G277 WeakPolarHBondContact O-CA 3.37Å; T274-G277 PolarHBondContact O-N 2.9Å; T274-G277 PolarHBondContact OG1-N 2.82Å; P275-G277 VanDerWaalsContact C-N 3.3Å; P275-G277 PolarHBondContact O-N 3.37Å |
| 278 | V | 91.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -80.1 | -48.5 | 166.9 | 174.2 | 0 | 0 | 0 | 0 | 109.4 | T255 V258 L264 R273 T274 P275 G276 L280 N281 L282 | T255-V278 HydrophobicContact CG2-CB 4.24Å; T255-V278 HydrophobicContact CG2-CG1 4.12Å; V258-V278 HydrophobicContact CB-CG1 4.13Å; V258-V278 HydrophobicContact CG1-CG1 3.6Å; L264-V278 HydrophobicContact CB-CG2 4.16Å; L264-V278 HydrophobicContact CD1-CG1 4.03Å; L264-V278 HydrophobicContact CG-CG1 4.24Å; L264-V278 HydrophobicContact CG-CG2 4.4Å; R273-V278 HydrophobicContact CB-CG2 3.98Å; T274-V278 PolarHBondContact O-N 3.27Å; P275-V278 WeakPolarHBondContact O-CA 3.4Å; P275-V278 VanDerWaalsContact O-CB 3.31Å; P275-V278 WeakPolarHBondContact O-CB 3.42Å; P275-V278 PolarHBondContact O-N 2.88Å; G276-V278 VanDerWaalsContact C-N 3.28Å; G276-V278 PolarHBondContact O-N 3.37Å; V278-L280 PolarHBondContact O-N 3.43Å; V278-N281 CarbonylContact O-C 3.38Å; V278-N281 WeakPolarHBondContact O-CA 3.41Å; V278-N281 WeakPolarHBondContact O-CB 3.3Å; V278-N281 PolarHBondContact O-N 3.04Å; V278-L282 HydrophobicContact CG1-CD1 4.16Å; V278-L282 HydrophobicContact CG1-CG 4.43Å; V278-L282 PolarHBondContact O-N 3.07Å |
| 279 | F | 92.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -53.5 | -50.4 | 174.8 | 178.4 | -95.2 | 0 | 0 | 0 | 112.5 | I224 L228 I236 V239 L251 T255 P275 G276 N281 L282 L283 | I224-F279 HydrophobicContact CG2-CE2 4.22Å; I224-F279 HydrophobicContact CG2-CZ 4.1Å; L228-F279 HydrophobicContact CD1-CB 3.68Å; L228-F279 HydrophobicContact CD1-CD1 3.85Å; L228-F279 HydrophobicContact CD1-CD2 3.91Å; L228-F279 HydrophobicContact CD1-CE1 4.44Å; L228-F279 HydrophobicContact CD1-CE2 4.49Å; L228-F279 HydrophobicContact CD1-CG 3.55Å; L228-F279 HydrophobicContact CD2-CB 4.2Å; I236-F279 HydrophobicContact CD1-CD1 4.13Å; I236-F279 HydrophobicContact CD1-CE1 3.89Å; V239-F279 HydrophobicContact CG1-CE1 3.9Å; V239-F279 HydrophobicContact CG1-CZ 3.9Å; L251-F279 HydrophobicContact CB-CD2 4.03Å; L251-F279 HydrophobicContact CB-CE2 3.55Å; L251-F279 HydrophobicContact CB-CZ 4.35Å; L251-F279 HydrophobicContact CD1-CE2 4.42Å; L251-F279 HydrophobicContact CD1-CZ 4.46Å; T255-F279 HydrophobicContact CG2-CB 4.15Å; T255-F279 WeakPolarHBondContact OG1-CA 3.47Å; P275-F279 PolarHBondContact O-N 3.37Å; G276-F279 PolarHBondContact O-N 2.98Å; F279-N281 PolarHBondContact O-N 3.34Å; F279-N281 VanDerWaalsContact O-N 3.15Å; F279-L282 PolarHBondContact O-N 3.47Å; F279-L283 WeakPolarHBondContact O-CB 3.2Å; F279-L283 PolarHBondContact O-N 2.92Å |
| 280 | L | 91.8 | Very high | 87.7 | Confident | 28 Ų | 28 | 47.5 Ų | 47.5 | 15% | 0.147 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.2 | -7.6 | 175.2 | -63.9 | 178.1 | 0 | 0 | 0 | 113.9 | L235 G276 V278 L283 K284 F298 | L235-L280 HydrophobicContact CD2-CD1 3.87Å; L235-L280 HydrophobicContact CD2-CD2 4.19Å; G276-L280 WeakPolarHBondContact O-CB 3.39Å; G276-L280 VanDerWaalsContact O-CG 3.31Å; G276-L280 WeakPolarHBondContact O-CG 3.22Å; G276-L280 PolarHBondContact O-N 3.43Å; V278-L280 PolarHBondContact O-N 3.43Å; L280-L283 HydrophobicContact CD2-CD2 3.88Å; L280-K284 WeakPolarHBondContact O-CG 3.27Å; L280-F298 HydrophobicContact CD2-CZ 4.16Å |
| 281 | N | 92.7 | Very high | 88 | Confident | 22 Ų | 22 | 50 Ų | 50 | 12% | 0.118 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -89.6 | -44.4 | 168.6 | -164.7 | 81.8 | 0 | 0 | 0 | 111.6 | L264 R273 V278 F279 L283 K284 N285 | L264-N281 HydrophobicContact CD1-CB 4.31Å; R273-N281 PolarHBondContact NH1-OD1 2.78Å; R273-N281 PolarHBondContact NH2-OD1 3.34Å; V278-N281 CarbonylContact O-C 3.38Å; V278-N281 WeakPolarHBondContact O-CA 3.41Å; V278-N281 WeakPolarHBondContact O-CB 3.3Å; V278-N281 PolarHBondContact O-N 3.04Å; F279-N281 PolarHBondContact O-N 3.34Å; F279-N281 VanDerWaalsContact O-N 3.15Å; N281-L283 VanDerWaalsContact C-N 3.31Å; N281-L283 PolarHBondContact O-N 2.91Å; N281-K284 PolarHBondContact O-N 3.48Å; N281-N285 PolarHBondContact ND2-ND2 2.65Å; N281-N285 PolarHBondContact O-N 3.17Å; N281-N285 VanDerWaalsContact O-N 3.16Å; N281-N285 PolarHBondContact O-OD1 3.22Å |
| 282 | L | 91.9 | Very high | 88.4 | Confident | 23 Ų | 23 | 51.5 Ų | 51.5 | 12% | 0.12 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.9 | -46.1 | 174.8 | -67.3 | 171.5 | 0 | 0 | 0 | 110 | L251 E254 T255 V278 F279 K284 N285 T286 | L251-L282 HydrophobicContact CD2-CB 3.94Å; E254-L282 HydrophobicContact CB-CD1 3.84Å; T255-L282 WeakPolarHBondContact OG1-CD1 3.48Å; V278-L282 HydrophobicContact CG1-CD1 4.16Å; V278-L282 HydrophobicContact CG1-CG 4.43Å; V278-L282 PolarHBondContact O-N 3.07Å; F279-L282 PolarHBondContact O-N 3.47Å; L282-K284 PolarHBondContact O-N 3.15Å; L282-N285 CarbonylContact O-C 3.56Å; L282-N285 WeakPolarHBondContact O-CA 3.21Å; L282-N285 PolarHBondContact O-N 2.86Å; L282-T286 WeakPolarHBondContact O-CG2 3.33Å; L282-T286 PolarHBondContact O-N 3.25Å; L282-T286 PolarHBondContact O-OG1 3.22Å |
| 283 | L | 91 | Very high | 88.5 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -49.2 | -29.3 | 171.7 | 177.4 | 62.2 | 0 | 0 | 0 | 114.8 | V239 I243 L251 F279 L280 N281 I289 I294 I297 F298 | V239-L283 HydrophobicContact CG1-CD2 4.42Å; V239-L283 HydrophobicContact CG2-CD2 3.79Å; I243-L283 HydrophobicContact CD1-CD1 3.38Å; L251-L283 HydrophobicContact CD1-CD1 4.2Å; F279-L283 WeakPolarHBondContact O-CB 3.2Å; F279-L283 PolarHBondContact O-N 2.92Å; L280-L283 HydrophobicContact CD2-CD2 3.88Å; N281-L283 VanDerWaalsContact C-N 3.31Å; N281-L283 PolarHBondContact O-N 2.91Å; L283-I289 HydrophobicContact CD1-CD1 3.61Å; L283-I294 WeakPolarHBondContact O-CD1 3.13Å; L283-I297 HydrophobicContact CD1-CD1 4.31Å; L283-I297 HydrophobicContact CD2-CD1 4.47Å; L283-F298 HydrophobicContact CD2-CE2 4.34Å |
| 284 | K | 89.5 | Confident | 88.6 | Confident | 112 Ų | 112 | 50.2 Ų | 50.2 | 49% | 0.487 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -94.3 | -14.4 | 178.9 | -65.9 | -178.2 | -178 | -164.2 | 0 | 113.7 | L280 N281 L282 I294 F298 | L280-K284 WeakPolarHBondContact O-CG 3.27Å; N281-K284 PolarHBondContact O-N 3.48Å; L282-K284 PolarHBondContact O-N 3.15Å; K284-I294 HydrophobicContact CG-CG2 4.41Å; K284-F298 VanDerWaalsContact CE-CE2 3.46Å |
| 285 | N | 87.3 | Confident | 88.6 | Confident | 109 Ų | 109 | 53 Ų | 53 | 58% | 0.583 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -106.5 | -20.7 | -175.9 | -73.6 | 13.1 | 0 | 0 | 0 | 112.4 | N281 L282 P287 | N281-N285 PolarHBondContact ND2-ND2 2.65Å; N281-N285 PolarHBondContact O-N 3.17Å; N281-N285 VanDerWaalsContact O-N 3.16Å; N281-N285 PolarHBondContact O-OD1 3.22Å; L282-N285 CarbonylContact O-C 3.56Å; L282-N285 WeakPolarHBondContact O-CA 3.21Å; L282-N285 PolarHBondContact O-N 2.86Å; N285-P287 WeakPolarHBondContact O-CD 3.15Å |
| 286 | T | 83.9 | Confident | 88.7 | Confident | 23 Ų | 23 | 57.2 Ų | 57.2 | 14% | 0.141 | 31% | 0.305 | C | S | . | . | trans | -71 | 114.9 | 177.6 | 44.6 | 0 | 0 | 0 | 0 | 110.7 | L251 L282 S288 I289 | L251-T286 HydrophobicContact CD2-CG2 3.68Å; L282-T286 WeakPolarHBondContact O-CG2 3.33Å; L282-T286 PolarHBondContact O-N 3.25Å; L282-T286 PolarHBondContact O-OG1 3.22Å; T286-S288 PolarHBondContact O-N 3.39Å; T286-S288 VanDerWaalsContact O-N 3.14Å; T286-I289 PolarHBondContact O-N 2.94Å; T286-I289 WeakPolarHBondContact OG1-CD1 3.48Å | ||
| 287 | P | 78.4 | Confident | 88.6 | Confident | 129 Ų | 129 | 57.2 Ų | 57.2 | 84% | 0.838 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -7.6 | -178 | 30.8 | -36.6 | 0 | 0 | 0 | 113.5 | N285 I289 | N285-P287 WeakPolarHBondContact O-CD 3.15Å; P287-I289 PolarHBondContact O-N 3.13Å |
| 288 | S | 78.9 | Confident | 88.7 | Confident | 91 Ų | 91 | 57.8 Ų | 57.8 | 64% | 0.636 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -2.5 | 176 | -51.6 | 0 | 0 | 0 | 0 | 114.4 | T286 | T286-S288 PolarHBondContact O-N 3.39Å; T286-S288 VanDerWaalsContact O-N 3.14Å |
| 289 | I | 84.1 | Confident | 88.6 | Confident | 14 Ų | 14 | 64.8 Ų | 64.8 | 7% | 0.072 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -122.5 | 128.8 | -176.1 | -55.2 | 179.9 | 0 | 0 | 0 | 107.6 | I243 L251 L283 T286 P287 Q293 I294 | I243-I289 HydrophobicContact CD1-CD1 3.95Å; I243-I289 HydrophobicContact CG1-CD1 4.32Å; I243-I289 HydrophobicContact CG1-CG2 4.47Å; I243-I289 HydrophobicContact CG2-CD1 3.77Å; I243-I289 HydrophobicContact CG2-CG1 3.95Å; L251-I289 HydrophobicContact CD1-CD1 4.13Å; L283-I289 HydrophobicContact CD1-CD1 3.61Å; T286-I289 PolarHBondContact O-N 2.94Å; T286-I289 WeakPolarHBondContact OG1-CD1 3.48Å; P287-I289 PolarHBondContact O-N 3.13Å; I289-Q293 HydrophobicContact CG2-CB 3.91Å; I289-I294 HydrophobicContact CG2-CD1 4.42Å; I289-I294 HydrophobicContact CG2-CG1 3.94Å |
| 290 | S | 88.6 | Confident | 88.3 | Confident | 51 Ų | 51 | 69.5 Ų | 69.5 | 36% | 0.357 | 36% | 0.355 | S | S | . | . | trans | -71.7 | 150 | -178.8 | 80.5 | 0 | 0 | 0 | 0 | 111.1 | E292 Q293 I294 | S290-E292 PolarHBondContact O-N 3.45Å; S290-E292 VanDerWaalsContact O-N 3.16Å; S290-E292 PolarHBondContact OG-N 2.92Å; S290-Q293 WeakPolarHBondContact O-CB 3.43Å; S290-Q293 PolarHBondContact O-N 2.97Å; S290-Q293 VanDerWaalsContact O-N 3.15Å; S290-Q293 WeakPolarHBondContact OG-CG 3.2Å; S290-Q293 PolarHBondContact OG-N 3.02Å; S290-Q293 VanDerWaalsContact OG-N 3.12Å; S290-I294 PolarHBondContact O-N 3.14Å; S290-I294 VanDerWaalsContact O-N 3.1Å | ||
| 291 | E | 88.1 | Confident | 88.1 | Confident | 133 Ų | 133 | 69.8 Ų | 69.8 | 62% | 0.621 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59.2 | -27.4 | 173.1 | -66.1 | -167 | 179.9 | 0 | 0 | 112.6 | I294 K295 | E291-I294 PolarHBondContact O-N 2.7Å; E291-K295 WeakPolarHBondContact O-CB 3.32Å; E291-K295 VanDerWaalsContact O-CD 3.31Å; E291-K295 WeakPolarHBondContact O-CD 3.45Å; E291-K295 WeakPolarHBondContact O-CG 3.5Å; E291-K295 PolarHBondContact O-N 3.49Å; E291-K295 IonicContact OE2-NZ 3.95Å; E291-K295 PolarHBondContact OE2-NZ 3.28Å |
| 292 | E | 89.4 | Confident | 87.7 | Confident | 152 Ų | 152 | 73.2 Ų | 73.2 | 71% | 0.71 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -68 | -44.5 | 177 | -60.6 | 178.1 | 164.5 | 0 | 0 | 111.1 | S290 I294 K295 D296 | S290-E292 PolarHBondContact O-N 3.45Å; S290-E292 VanDerWaalsContact O-N 3.16Å; S290-E292 PolarHBondContact OG-N 2.92Å; E292-I294 VanDerWaalsContact C-N 3.31Å; E292-I294 PolarHBondContact O-N 2.88Å; E292-K295 PolarHBondContact O-N 3.03Å; E292-D296 PolarHBondContact O-N 3.19Å |
| 293 | Q | 89.1 | Confident | 87.6 | Confident | 61 Ų | 61 | 76 Ų | 76 | 29% | 0.285 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.1 | -42.9 | 171.6 | -72.8 | 172.7 | -48.7 | 0 | 0 | 111.1 | I242 I289 S290 D296 I297 | I242-Q293 HydrophobicContact CG2-CB 3.68Å; I242-Q293 HydrophobicContact CG2-CG 3.74Å; I242-Q293 PolarHBondContact O-NE2 2.97Å; I289-Q293 HydrophobicContact CG2-CB 3.91Å; S290-Q293 WeakPolarHBondContact O-CB 3.43Å; S290-Q293 PolarHBondContact O-N 2.97Å; S290-Q293 VanDerWaalsContact O-N 3.15Å; S290-Q293 WeakPolarHBondContact OG-CG 3.2Å; S290-Q293 PolarHBondContact OG-N 3.02Å; S290-Q293 VanDerWaalsContact OG-N 3.12Å; Q293-D296 PolarHBondContact O-N 3.04Å; Q293-I297 WeakPolarHBondContact O-CB 3.28Å; Q293-I297 WeakPolarHBondContact O-CD1 3.26Å; Q293-I297 WeakPolarHBondContact O-CG1 3.4Å; Q293-I297 PolarHBondContact O-N 2.84Å |
| 294 | I | 90.4 | Very high | 87.3 | Confident | 28 Ų | 28 | 81.7 Ų | 81.7 | 14% | 0.144 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 175.6 | -63.6 | 166.3 | 0 | 0 | 0 | 110.5 | L283 K284 I289 S290 E291 E292 D296 I297 F298 | L283-I294 WeakPolarHBondContact O-CD1 3.13Å; K284-I294 HydrophobicContact CG-CG2 4.41Å; I289-I294 HydrophobicContact CG2-CD1 4.42Å; I289-I294 HydrophobicContact CG2-CG1 3.94Å; S290-I294 PolarHBondContact O-N 3.14Å; S290-I294 VanDerWaalsContact O-N 3.1Å; E291-I294 PolarHBondContact O-N 2.7Å; E292-I294 VanDerWaalsContact C-N 3.31Å; E292-I294 PolarHBondContact O-N 2.88Å; I294-D296 PolarHBondContact O-N 2.87Å; I294-I297 PolarHBondContact O-N 3.33Å; I294-F298 HydrophobicContact CG2-CD2 3.88Å; I294-F298 HydrophobicContact CG2-CE2 4.08Å; I294-F298 VanDerWaalsContact O-CD2 3.27Å; I294-F298 WeakPolarHBondContact O-CD2 3.41Å; I294-F298 PolarHBondContact O-N 3.01Å; I294-F298 VanDerWaalsContact O-N 3.09Å |
| 295 | K | 90.8 | Very high | 87.1 | Confident | 123 Ų | 123 | 81.8 Ų | 81.8 | 54% | 0.535 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 178.1 | -74.3 | 158.5 | -166.6 | 161.7 | 0 | 111.1 | E291 E292 F298 Y299 | E291-K295 WeakPolarHBondContact O-CB 3.32Å; E291-K295 VanDerWaalsContact O-CD 3.31Å; E291-K295 WeakPolarHBondContact O-CD 3.45Å; E291-K295 WeakPolarHBondContact O-CG 3.5Å; E291-K295 PolarHBondContact O-N 3.49Å; E291-K295 IonicContact OE2-NZ 3.95Å; E291-K295 PolarHBondContact OE2-NZ 3.28Å; E292-K295 PolarHBondContact O-N 3.03Å; K295-F298 CarbonylContact O-C 3.56Å; K295-F298 PolarHBondContact O-N 2.9Å; K295-Y299 WeakPolarHBondContact O-CA 3.37Å; K295-Y299 WeakPolarHBondContact O-CB 3.46Å; K295-Y299 PolarHBondContact O-N 2.87Å |
| 296 | D | 91.1 | Very high | 87 | Confident | 87 Ų | 87 | 83.5 Ų | 83.5 | 47% | 0.465 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.3 | -45.3 | 176.9 | -171.5 | 41.2 | 0 | 0 | 0 | 112.5 | I242 E292 Q293 I294 F298 Y299 | I242-D296 HydrophobicContact CD1-CB 4.23Å; I242-D296 WeakPolarHBondContact CD1-OD2 3.33Å; E292-D296 PolarHBondContact O-N 3.19Å; Q293-D296 PolarHBondContact O-N 3.04Å; I294-D296 PolarHBondContact O-N 2.87Å; D296-F298 PolarHBondContact O-N 3.48Å; D296-Y299 PolarHBondContact O-N 3.14Å |
| 297 | I | 90.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 87.3 Ų | 87.3 | 0% | 0 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -53.5 | -41.5 | 173.3 | -71.1 | 163.1 | 0 | 0 | 0 | 111.4 | L235 R238 V239 I242 I243 L283 Q293 I294 | L235-I297 HydrophobicContact CD1-CG2 3.86Å; R238-I297 PolarHBondContact NH1-O 3.21Å; V239-I297 HydrophobicContact CG2-CD1 4.25Å; V239-I297 HydrophobicContact CG2-CG1 4.48Å; V239-I297 HydrophobicContact CG2-CG2 3.63Å; I242-I297 HydrophobicContact CB-CD1 4.35Å; I242-I297 HydrophobicContact CB-CG1 4.08Å; I242-I297 HydrophobicContact CD1-CB 4.41Å; I242-I297 HydrophobicContact CD1-CG1 3.52Å; I242-I297 HydrophobicContact CG1-CG1 4.38Å; I242-I297 HydrophobicContact CG2-CD1 4.21Å; I242-I297 HydrophobicContact CG2-CG1 4.15Å; I243-I297 HydrophobicContact CD1-CD1 3.91Å; I243-I297 HydrophobicContact CG1-CD1 4Å; L283-I297 HydrophobicContact CD1-CD1 4.31Å; L283-I297 HydrophobicContact CD2-CD1 4.47Å; Q293-I297 WeakPolarHBondContact O-CB 3.28Å; Q293-I297 WeakPolarHBondContact O-CD1 3.26Å; Q293-I297 WeakPolarHBondContact O-CG1 3.4Å; Q293-I297 PolarHBondContact O-N 2.84Å; I294-I297 PolarHBondContact O-N 3.33Å |
| 298 | F | 91.1 | Very high | 87.7 | Confident | 27 Ų | 27 | 86 Ų | 86 | 12% | 0.118 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -92.5 | -10.6 | -178 | -72.4 | -73 | 0 | 0 | 0 | 114.8 | L235 L280 L283 K284 I294 K295 D296 I300 E301 N302 | L235-F298 HydrophobicContact CD1-CD1 4.26Å; L235-F298 HydrophobicContact CD1-CE1 4.2Å; L235-F298 HydrophobicContact CD2-CE1 4.11Å; L280-F298 HydrophobicContact CD2-CZ 4.16Å; L283-F298 HydrophobicContact CD2-CE2 4.34Å; K284-F298 VanDerWaalsContact CE-CE2 3.46Å; I294-F298 HydrophobicContact CG2-CD2 3.88Å; I294-F298 HydrophobicContact CG2-CE2 4.08Å; I294-F298 VanDerWaalsContact O-CD2 3.27Å; I294-F298 WeakPolarHBondContact O-CD2 3.41Å; I294-F298 PolarHBondContact O-N 3.01Å; I294-F298 VanDerWaalsContact O-N 3.09Å; K295-F298 CarbonylContact O-C 3.56Å; K295-F298 PolarHBondContact O-N 2.9Å; D296-F298 PolarHBondContact O-N 3.48Å; F298-I300 PolarHBondContact O-N 3.5Å; F298-E301 WeakPolarHBondContact O-CB 3.45Å; F298-E301 PolarHBondContact O-N 3.46Å; F298-E301 VanDerWaalsContact O-N 3.11Å; F298-N302 VanDerWaalsContact O-CG 3.28Å; F298-N302 PolarHBondContact O-N 3.42Å |
| 299 | Y | 89.7 | Confident | 88 | Confident | 148 Ų | 148 | 87.2 Ų | 87.2 | 58% | 0.58 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -54.5 | -55.9 | -172.3 | 179 | -103.8 | 0 | 0 | 0 | 113.5 | K295 D296 E301 N302 Q303 | K295-Y299 WeakPolarHBondContact O-CA 3.37Å; K295-Y299 WeakPolarHBondContact O-CB 3.46Å; K295-Y299 PolarHBondContact O-N 2.87Å; D296-Y299 PolarHBondContact O-N 3.14Å; Y299-E301 PolarHBondContact O-N 3.29Å; Y299-N302 PolarHBondContact O-N 2.88Å; Y299-Q303 PolarHBondContact O-N 3.09Å |
| 300 | I | 86.4 | Confident | 88.3 | Confident | 99 Ų | 99 | 93.1 Ų | 93.1 | 51% | 0.508 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.8 | -33.2 | -179.1 | -52.3 | 175.5 | 0 | 0 | 0 | 111.3 | F298 K304 | F298-I300 PolarHBondContact O-N 3.5Å; I300-K304 VanDerWaalsContact O-CB 3.32Å; I300-K304 WeakPolarHBondContact O-CB 3.48Å; I300-K304 PolarHBondContact O-N 3.46Å |
| 301 | E | 86.8 | Confident | 88.1 | Confident | 34 Ų | 34 | 92.8 Ų | 92.8 | 16% | 0.159 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -71.5 | -44 | 178.7 | -168.8 | 66.8 | -126.6 | 0 | 0 | 111.2 | K232 F298 Y299 Q303 K304 E305 | K232-E301 WeakPolarHBondContact CD-OE2 3.48Å; K232-E301 IonicContact NZ-OE1 3.16Å; K232-E301 PolarHBondContact NZ-OE1 3.27Å; K232-E301 IonicContact NZ-OE2 2.77Å; K232-E301 PolarHBondContact NZ-OE2 3.22Å; F298-E301 WeakPolarHBondContact O-CB 3.45Å; F298-E301 PolarHBondContact O-N 3.46Å; F298-E301 VanDerWaalsContact O-N 3.11Å; Y299-E301 PolarHBondContact O-N 3.29Å; E301-Q303 VanDerWaalsContact C-N 3.32Å; E301-Q303 PolarHBondContact O-N 3.12Å; E301-K304 PolarHBondContact O-N 3.13Å; E301-E305 WeakPolarHBondContact O-CB 3.45Å; E301-E305 PolarHBondContact O-N 2.94Å |
| 302 | N | 85.8 | Confident | 87.9 | Confident | 93 Ų | 93 | 87.7 Ų | 87.7 | 50% | 0.497 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 175.8 | -66.7 | -13.3 | 0 | 0 | 0 | 111.3 | F298 Y299 E305 Y306 | F298-N302 VanDerWaalsContact O-CG 3.28Å; F298-N302 PolarHBondContact O-N 3.42Å; Y299-N302 PolarHBondContact O-N 2.88Å; N302-E305 PolarHBondContact O-N 3.26Å; N302-Y306 WeakPolarHBondContact O-CB 3.49Å; N302-Y306 PolarHBondContact O-N 3.34Å |
| 303 | Q | 88.2 | Confident | 87.7 | Confident | 81 Ų | 81 | 88.5 Ų | 88.5 | 38% | 0.379 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.2 | -48.5 | 174.7 | -177.3 | 63.5 | 20.8 | 0 | 0 | 111.3 | Y299 E301 E305 Y306 E307 | Y299-Q303 PolarHBondContact O-N 3.09Å; E301-Q303 VanDerWaalsContact C-N 3.32Å; E301-Q303 PolarHBondContact O-N 3.12Å; Q303-E305 VanDerWaalsContact C-N 3.33Å; Q303-E305 PolarHBondContact O-N 3.16Å; Q303-Y306 WeakPolarHBondContact O-CB 3.18Å; Q303-Y306 PolarHBondContact O-N 2.77Å; Q303-E307 PolarHBondContact NE2-OE1 3.48Å; Q303-E307 WeakPolarHBondContact O-CG 3.06Å; Q303-E307 PolarHBondContact O-N 3.48Å |
| 304 | K | 86.1 | Confident | 87.6 | Confident | 120 Ų | 120 | 92.2 Ų | 92.2 | 52% | 0.522 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.2 | -37 | 177.1 | -170.9 | 174.7 | -175.8 | 174.1 | 0 | 112.4 | I300 E301 N308 | I300-K304 VanDerWaalsContact O-CB 3.32Å; I300-K304 WeakPolarHBondContact O-CB 3.48Å; I300-K304 PolarHBondContact O-N 3.46Å; E301-K304 PolarHBondContact O-N 3.13Å; K304-N308 VanDerWaalsContact O-CB 3.31Å; K304-N308 WeakPolarHBondContact O-CB 3.14Å; K304-N308 PolarHBondContact O-N 2.82Å; K304-N308 PolarHBondContact O-ND2 3.43Å |
| 305 | E | 85.3 | Confident | 87.1 | Confident | 115 Ų | 115 | 97.5 Ų | 97.5 | 54% | 0.537 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.2 | -44.5 | 172.8 | -171 | -178.2 | 155.2 | 0 | 0 | 111.4 | E301 N302 Q303 E307 N308 K309 | E301-E305 WeakPolarHBondContact O-CB 3.45Å; E301-E305 PolarHBondContact O-N 2.94Å; N302-E305 PolarHBondContact O-N 3.26Å; Q303-E305 VanDerWaalsContact C-N 3.33Å; Q303-E305 PolarHBondContact O-N 3.16Å; E305-E307 PolarHBondContact O-N 3.44Å; E305-N308 PolarHBondContact O-N 3.21Å; E305-K309 VanDerWaalsContact O-CB 3.27Å; E305-K309 WeakPolarHBondContact O-CB 3.47Å; E305-K309 PolarHBondContact O-N 3.32Å |
| 306 | Y | 85.1 | Confident | 86.4 | Confident | 145 Ų | 145 | 95.5 Ų | 95.5 | 57% | 0.569 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -60.1 | -45.9 | 176.9 | 179.3 | -90.1 | 0 | 0 | 0 | 111.9 | N302 Q303 K309 K310 | N302-Y306 WeakPolarHBondContact O-CB 3.49Å; N302-Y306 PolarHBondContact O-N 3.34Å; Q303-Y306 WeakPolarHBondContact O-CB 3.18Å; Q303-Y306 PolarHBondContact O-N 2.77Å; Y306-K309 PolarHBondContact O-N 2.81Å; Y306-K310 HydrophobicContact CE1-CD 4.3Å; Y306-K310 WeakPolarHBondContact O-CB 3.34Å; Y306-K310 PolarHBondContact O-N 3.09Å |
| 307 | E | 89.3 | Confident | 85.7 | Confident | 103 Ų | 103 | 96 Ų | 96 | 48% | 0.481 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64 | -44.8 | 176.9 | -73.6 | 173.5 | -166.9 | 0 | 0 | 112.1 | Q303 E305 K309 K310 A311 | Q303-E307 PolarHBondContact NE2-OE1 3.48Å; Q303-E307 WeakPolarHBondContact O-CG 3.06Å; Q303-E307 PolarHBondContact O-N 3.48Å; E305-E307 PolarHBondContact O-N 3.44Å; E307-K309 VanDerWaalsContact C-N 3.32Å; E307-K309 PolarHBondContact O-N 2.79Å; E307-K310 WeakPolarHBondContact O-CB 3.32Å; E307-K310 PolarHBondContact O-N 2.75Å; E307-A311 WeakPolarHBondContact O-CB 3.22Å; E307-A311 PolarHBondContact O-N 3.14Å |
| 308 | N | 86.5 | Confident | 85.5 | Confident | 100 Ų | 100 | 101.1 Ų | 101.1 | 54% | 0.535 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.9 | -41.6 | 173.4 | -81.7 | -27.2 | 0 | 0 | 0 | 111.9 | K304 E305 A311 A312 | K304-N308 VanDerWaalsContact O-CB 3.31Å; K304-N308 WeakPolarHBondContact O-CB 3.14Å; K304-N308 PolarHBondContact O-N 2.82Å; K304-N308 PolarHBondContact O-ND2 3.43Å; E305-N308 PolarHBondContact O-N 3.21Å; N308-A311 PolarHBondContact O-N 3.39Å; N308-A312 VanDerWaalsContact O-CB 3.31Å; N308-A312 WeakPolarHBondContact O-CB 3.32Å; N308-A312 PolarHBondContact O-N 2.66Å |
| 309 | K | 86.3 | Confident | 85.1 | Confident | 117 Ų | 117 | 103.6 Ų | 103.6 | 51% | 0.509 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.9 | -37.9 | 176.7 | -167.1 | 171.9 | -170.6 | 168.1 | 0 | 111.9 | E305 Y306 E307 R313 | E305-K309 VanDerWaalsContact O-CB 3.27Å; E305-K309 WeakPolarHBondContact O-CB 3.47Å; E305-K309 PolarHBondContact O-N 3.32Å; Y306-K309 PolarHBondContact O-N 2.81Å; E307-K309 VanDerWaalsContact C-N 3.32Å; E307-K309 PolarHBondContact O-N 2.79Å; K309-R313 WeakPolarHBondContact O-CB 3.39Å; K309-R313 VanDerWaalsContact O-CG 3.26Å; K309-R313 WeakPolarHBondContact O-CG 3.18Å; K309-R313 PolarHBondContact O-N 3Å |
| 310 | K | 89.4 | Confident | 84.4 | Confident | 139 Ų | 139 | 98.6 Ų | 98.6 | 60% | 0.604 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -66.9 | -42.8 | 173 | -172.7 | 177 | -180 | 179.2 | 0 | 111.5 | Y306 E307 R313 K314 | Y306-K310 HydrophobicContact CE1-CD 4.3Å; Y306-K310 WeakPolarHBondContact O-CB 3.34Å; Y306-K310 PolarHBondContact O-N 3.09Å; E307-K310 WeakPolarHBondContact O-CB 3.32Å; E307-K310 PolarHBondContact O-N 2.75Å; K310-R313 PolarHBondContact O-N 3.32Å; K310-K314 PolarHBondContact O-N 2.95Å |
| 311 | A | 85.7 | Confident | 84.1 | Confident | 44 Ų | 44 | 95.4 Ų | 95.4 | 36% | 0.364 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E307 N308 K314 R315 | E307-A311 WeakPolarHBondContact O-CB 3.22Å; E307-A311 PolarHBondContact O-N 3.14Å; N308-A311 PolarHBondContact O-N 3.39Å; A311-K314 PolarHBondContact O-N 3.34Å; A311-R315 WeakPolarHBondContact O-CG 3.22Å; A311-R315 PolarHBondContact O-N 2.9Å |
| 312 | A | 84.3 | Confident | 84.1 | Confident | 26 Ų | 26 | 100.3 Ų | 100.3 | 22% | 0.215 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -61 | -43.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M169 N308 K314 R315 R316 | M169-A312 HydrophobicContact SD-CB 4.22Å; N308-A312 VanDerWaalsContact O-CB 3.31Å; N308-A312 WeakPolarHBondContact O-CB 3.32Å; N308-A312 PolarHBondContact O-N 2.66Å; A312-K314 PolarHBondContact O-N 3.31Å; A312-R315 PolarHBondContact O-N 3.33Å; A312-R316 WeakPolarHBondContact O-CB 3.49Å; A312-R316 PolarHBondContact O-N 3.5Å |
| 313 | R | 84.2 | Confident | 83.8 | Confident | 169 Ų | 169 | 98.5 Ų | 98.5 | 64% | 0.638 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -60.3 | -41 | 171.6 | -76.1 | 173.1 | 173.9 | -168.1 | -3.1 | 112.5 | K309 K310 R316 T317 | K309-R313 WeakPolarHBondContact O-CB 3.39Å; K309-R313 VanDerWaalsContact O-CG 3.26Å; K309-R313 WeakPolarHBondContact O-CG 3.18Å; K309-R313 PolarHBondContact O-N 3Å; K310-R313 PolarHBondContact O-N 3.32Å; R313-R316 WeakPolarHBondContact O-CB 3.46Å; R313-R316 PolarHBondContact O-N 3.43Å; R313-T317 PolarHBondContact O-N 3.02Å; R313-T317 PolarHBondContact O-OG1 3.26Å |
| 314 | K | 86.9 | Confident | 83.1 | Confident | 139 Ų | 139 | 98.6 Ų | 98.6 | 60% | 0.604 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -64.7 | -44.2 | 175.7 | -171.2 | 177 | -179.7 | 179.9 | 0 | 111.7 | K310 A311 A312 R316 T317 Q318 | K310-K314 PolarHBondContact O-N 2.95Å; A311-K314 PolarHBondContact O-N 3.34Å; A312-K314 PolarHBondContact O-N 3.31Å; K314-R316 PolarHBondContact O-N 3.44Å; K314-T317 PolarHBondContact O-N 3.12Å; K314-Q318 WeakPolarHBondContact O-CG 3.17Å; K314-Q318 PolarHBondContact O-N 3.24Å |
| 315 | R | 79.9 | Confident | 82.8 | Confident | 138 Ų | 138 | 100.8 Ų | 100.8 | 52% | 0.521 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 173.9 | -72.2 | 180 | -178 | -177.2 | 2.7 | 111.3 | Y168 A311 A312 Q318 L319 | Y168-R315 PolarHBondContact OH-NH1 2.88Å; A311-R315 WeakPolarHBondContact O-CG 3.22Å; A311-R315 PolarHBondContact O-N 2.9Å; A312-R315 PolarHBondContact O-N 3.33Å; R315-Q318 PolarHBondContact O-N 3.14Å; R315-L319 WeakPolarHBondContact O-CG 3.34Å; R315-L319 PolarHBondContact O-N 3.35Å |
| 316 | R | 76.3 | Confident | 82.6 | Confident | 82 Ų | 82 | 101.5 Ų | 101.5 | 31% | 0.309 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -53.3 | -54.8 | 173.1 | 177.7 | 174 | -176.2 | 152.4 | 9.1 | 112.2 | D162 L165 A312 R313 K314 Q318 L319 L320 | D162-R316 VanDerWaalsContact CG-NH2 3.33Å; D162-R316 IonicContact OD1-CZ 2.68Å; D162-R316 IonicContact OD1-NH1 2.78Å; D162-R316 PolarHBondContact OD1-NH1 3.23Å; D162-R316 IonicContact OD1-NH2 2.66Å; D162-R316 PolarHBondContact OD1-NH2 2.97Å; D162-R316 IonicContact OD2-NH2 3.12Å; L165-R316 HydrophobicContact CD1-CB 3.41Å; L165-R316 VanDerWaalsContact CD1-CB 3.41Å; L165-R316 HydrophobicContact CD1-CG 3.38Å; A312-R316 WeakPolarHBondContact O-CB 3.49Å; A312-R316 PolarHBondContact O-N 3.5Å; R313-R316 WeakPolarHBondContact O-CB 3.46Å; R313-R316 PolarHBondContact O-N 3.43Å; K314-R316 PolarHBondContact O-N 3.44Å; R316-Q318 VanDerWaalsContact C-N 3.28Å; R316-Q318 PolarHBondContact O-N 2.9Å; R316-L319 PolarHBondContact O-N 2.93Å; R316-L320 WeakPolarHBondContact O-CB 3.24Å; R316-L320 PolarHBondContact O-N 3.49Å |
| 317 | T | 75.9 | Confident | 82.2 | Confident | 98 Ų | 98 | 95.4 Ų | 95.4 | 60% | 0.601 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.2 | -37.5 | -178.2 | -54.6 | 0 | 0 | 0 | 0 | 111.7 | R313 K314 G321 | R313-T317 PolarHBondContact O-N 3.02Å; R313-T317 PolarHBondContact O-OG1 3.26Å; K314-T317 PolarHBondContact O-N 3.12Å; T317-G321 PolarHBondContact O-N 3.17Å |
| 318 | Q | 85.6 | Confident | 81.6 | Confident | 106 Ų | 106 | 93.5 Ų | 93.5 | 50% | 0.495 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.8 | -42.8 | 176 | -72.1 | 178.5 | -8.5 | 0 | 0 | 112.9 | K314 R315 R316 G321 K322 | K314-Q318 WeakPolarHBondContact O-CG 3.17Å; K314-Q318 PolarHBondContact O-N 3.24Å; R315-Q318 PolarHBondContact O-N 3.14Å; R316-Q318 VanDerWaalsContact C-N 3.28Å; R316-Q318 PolarHBondContact O-N 2.9Å; Q318-G321 PolarHBondContact O-N 3.43Å; Q318-K322 WeakPolarHBondContact O-CG 3.39Å; Q318-K322 PolarHBondContact O-N 2.8Å |
| 319 | L | 82.8 | Confident | 81.4 | Confident | 80 Ų | 80 | 97.8 Ų | 97.8 | 42% | 0.419 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 175.6 | -71.1 | 172 | 0 | 0 | 0 | 111.5 | L161 R315 R316 K322 K323 | L161-L319 HydrophobicContact CD1-CB 4.46Å; L161-L319 HydrophobicContact CD2-CB 3.96Å; R315-L319 WeakPolarHBondContact O-CG 3.34Å; R315-L319 PolarHBondContact O-N 3.35Å; R316-L319 PolarHBondContact O-N 2.93Å; L319-K322 PolarHBondContact O-N 3.24Å; L319-K323 PolarHBondContact O-N 3.01Å |
| 320 | L | 75.6 | Confident | 80.8 | Confident | 42 Ų | 42 | 96.4 Ų | 96.4 | 22% | 0.22 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 174 | -177.7 | 65.6 | 0 | 0 | 0 | 111.7 | T158 L161 R316 K322 K323 M324 | T158-L320 HydrophobicContact CG2-CD1 3.58Å; T158-L320 HydrophobicContact CG2-CD2 3.59Å; T158-L320 HydrophobicContact CG2-CG 4.25Å; L161-L320 HydrophobicContact CD1-CB 3.68Å; L161-L320 HydrophobicContact CD1-CD1 3.75Å; L161-L320 HydrophobicContact CD1-CG 4.34Å; R316-L320 WeakPolarHBondContact O-CB 3.24Å; R316-L320 PolarHBondContact O-N 3.49Å; L320-K322 VanDerWaalsContact C-N 3.28Å; L320-K322 PolarHBondContact O-N 2.8Å; L320-K323 PolarHBondContact O-N 2.85Å; L320-M324 VanDerWaalsContact O-CB 3.25Å; L320-M324 WeakPolarHBondContact O-CB 3.38Å; L320-M324 PolarHBondContact O-N 3.19Å |
| 321 | G | 81 | Confident | 79.8 | Confident | 33 Ų | 33 | 91.2 Ų | 91.2 | 34% | 0.34 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.1 | -35.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T317 Q318 K325 | T317-G321 PolarHBondContact O-N 3.17Å; Q318-G321 PolarHBondContact O-N 3.43Å; G321-K325 WeakPolarHBondContact O-CB 3.4Å; G321-K325 WeakPolarHBondContact O-CG 3.41Å; G321-K325 PolarHBondContact O-N 3.45Å |
| 322 | K | 86.1 | Confident | 78.4 | Confident | 136 Ų | 136 | 94.4 Ų | 94.4 | 59% | 0.591 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -68.9 | -51 | 173.7 | -73.8 | 177.7 | 180 | -174 | 0 | 112.1 | Q318 L319 L320 M324 K325 Q326 | Q318-K322 WeakPolarHBondContact O-CG 3.39Å; Q318-K322 PolarHBondContact O-N 2.8Å; L319-K322 PolarHBondContact O-N 3.24Å; L320-K322 VanDerWaalsContact C-N 3.28Å; L320-K322 PolarHBondContact O-N 2.8Å; K322-M324 VanDerWaalsContact C-N 3.3Å; K322-M324 PolarHBondContact O-N 2.84Å; K322-K325 PolarHBondContact O-N 3.18Å; K322-Q326 WeakPolarHBondContact O-CG 3.27Å; K322-Q326 PolarHBondContact O-N 3.07Å |
| 323 | K | 79.5 | Confident | 77.1 | Confident | 55 Ų | 55 | 99.6 Ų | 99.6 | 24% | 0.239 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -58.4 | -41 | 175.6 | -75.9 | -163.1 | -177.5 | 178.4 | 0 | 111 | E160 L161 D164 L319 L320 Q326 A327 | E160-K323 IonicContact OE2-NZ 2.67Å; E160-K323 PolarHBondContact OE2-NZ 3.46Å; L161-K323 HydrophobicContact CD1-CD 3.98Å; L161-K323 HydrophobicContact CD1-CG 4.42Å; L161-K323 HydrophobicContact CD2-CD 4.07Å; L161-K323 HydrophobicContact CG-CD 3.92Å; D164-K323 IonicContact OD2-NZ 3.03Å; D164-K323 PolarHBondContact OD2-NZ 3.26Å; L319-K323 PolarHBondContact O-N 3.01Å; L320-K323 PolarHBondContact O-N 2.85Å; K323-Q326 WeakPolarHBondContact O-CB 3.36Å; K323-Q326 PolarHBondContact O-N 3.46Å; K323-A327 WeakPolarHBondContact O-CB 3.35Å; K323-A327 PolarHBondContact O-N 2.91Å |
| 324 | M | 72.7 | Confident | 75.5 | Confident | 84 Ų | 84 | 98.9 Ų | 98.9 | 41% | 0.414 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 177.5 | -176.2 | 174.1 | 177.3 | 0 | 0 | 112.9 | L320 K322 Q326 A327 I328 | L320-M324 VanDerWaalsContact O-CB 3.25Å; L320-M324 WeakPolarHBondContact O-CB 3.38Å; L320-M324 PolarHBondContact O-N 3.19Å; K322-M324 VanDerWaalsContact C-N 3.3Å; K322-M324 PolarHBondContact O-N 2.84Å; M324-Q326 VanDerWaalsContact C-N 3.3Å; M324-Q326 PolarHBondContact O-N 3.01Å; M324-A327 PolarHBondContact O-N 3.44Å; M324-I328 HydrophobicContact CE-CD1 4.12Å; M324-I328 HydrophobicContact CG-CD1 4.03Å; M324-I328 VanDerWaalsContact O-CG1 3.32Å; M324-I328 WeakPolarHBondContact O-CG1 3.3Å; M324-I328 PolarHBondContact O-N 2.92Å |
| 325 | K | 81.4 | Confident | 73.7 | Confident | 166 Ų | 166 | 100.1 Ų | 100.1 | 72% | 0.722 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.1 | -35.2 | 172.8 | -76.9 | -176.8 | 178.4 | -165.5 | 0 | 112.3 | G321 K322 K329 | G321-K325 WeakPolarHBondContact O-CB 3.4Å; G321-K325 WeakPolarHBondContact O-CG 3.41Å; G321-K325 PolarHBondContact O-N 3.45Å; K322-K325 PolarHBondContact O-N 3.18Å; K325-K329 WeakPolarHBondContact O-CB 3.49Å; K325-K329 PolarHBondContact O-N 3.48Å |
| 326 | Q | 81.1 | Confident | 72.2 | Confident | 130 Ų | 130 | 99.3 Ų | 99.3 | 61% | 0.607 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.9 | -46.8 | 173.8 | -73.2 | 170.9 | -27.9 | 0 | 0 | 111.3 | K322 K323 M324 I328 K329 S330 | K322-Q326 WeakPolarHBondContact O-CG 3.27Å; K322-Q326 PolarHBondContact O-N 3.07Å; K323-Q326 WeakPolarHBondContact O-CB 3.36Å; K323-Q326 PolarHBondContact O-N 3.46Å; M324-Q326 VanDerWaalsContact C-N 3.3Å; M324-Q326 PolarHBondContact O-N 3.01Å; Q326-I328 PolarHBondContact O-N 2.91Å; Q326-K329 CarbonylContact O-C 3.49Å; Q326-K329 PolarHBondContact O-N 3.2Å; Q326-K329 VanDerWaalsContact O-N 3.1Å; Q326-S330 PolarHBondContact O-N 3.27Å; Q326-S330 PolarHBondContact O-OG 3.2Å; Q326-S330 VanDerWaalsContact O-OG 3.07Å |
| 327 | A | 75.9 | Confident | 70.9 | Confident | 16 Ų | 16 | 101.7 Ų | 101.7 | 13% | 0.132 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -55 | -50.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | E153 K323 M324 K329 S330 L331 | E153-A327 HydrophobicContact CG-CB 4.33Å; E153-A327 WeakPolarHBondContact OE1-CB 3.49Å; K323-A327 WeakPolarHBondContact O-CB 3.35Å; K323-A327 PolarHBondContact O-N 2.91Å; M324-A327 PolarHBondContact O-N 3.44Å; A327-K329 VanDerWaalsContact C-N 3.29Å; A327-K329 PolarHBondContact O-N 3.35Å; A327-S330 WeakPolarHBondContact CA-OG 3.25Å; A327-S330 PolarHBondContact O-N 3.25Å; A327-S330 VanDerWaalsContact O-N 3.13Å; A327-S330 PolarHBondContact O-OG 3.14Å; A327-L331 WeakPolarHBondContact O-CG 3.33Å; A327-L331 PolarHBondContact O-N 3.48Å |
| 328 | I | 75.8 | Confident | 69.5 | Low | 64 Ų | 64 | 103.1 Ų | 103.1 | 33% | 0.328 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.5 | -39.2 | 175.8 | -66.1 | 163.8 | 0 | 0 | 0 | 111.4 | L150 M324 Q326 L331 F333 | L150-I328 HydrophobicContact CD2-CG1 3.87Å; M324-I328 HydrophobicContact CE-CD1 4.12Å; M324-I328 HydrophobicContact CG-CD1 4.03Å; M324-I328 VanDerWaalsContact O-CG1 3.32Å; M324-I328 WeakPolarHBondContact O-CG1 3.3Å; M324-I328 PolarHBondContact O-N 2.92Å; Q326-I328 PolarHBondContact O-N 2.91Å; I328-L331 PolarHBondContact O-N 3.47Å; I328-F333 HydrophobicContact CG2-CE2 4.44Å |
| 329 | K | 82.2 | Confident | 68 | Low | 189 Ų | 189 | 103.2 Ų | 103.2 | 82% | 0.822 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -71.5 | -29.5 | 177.1 | -174 | 174.5 | 179.4 | 179.9 | 0 | 113.2 | K325 Q326 A327 | K325-K329 WeakPolarHBondContact O-CB 3.49Å; K325-K329 PolarHBondContact O-N 3.48Å; Q326-K329 CarbonylContact O-C 3.49Å; Q326-K329 PolarHBondContact O-N 3.2Å; Q326-K329 VanDerWaalsContact O-N 3.1Å; A327-K329 VanDerWaalsContact C-N 3.29Å; A327-K329 PolarHBondContact O-N 3.35Å |
| 330 | S | 74.4 | Confident | 66.4 | Low | 89 Ų | 89 | 104 Ų | 104 | 62% | 0.622 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -83 | -17.5 | 175 | 52.4 | 0 | 0 | 0 | 0 | 113.7 | Q326 A327 N332 | Q326-S330 PolarHBondContact O-N 3.27Å; Q326-S330 PolarHBondContact O-OG 3.2Å; Q326-S330 VanDerWaalsContact O-OG 3.07Å; A327-S330 WeakPolarHBondContact CA-OG 3.25Å; A327-S330 PolarHBondContact O-N 3.25Å; A327-S330 VanDerWaalsContact O-N 3.13Å; A327-S330 PolarHBondContact O-OG 3.14Å; S330-N332 VanDerWaalsContact C-N 3.27Å; S330-N332 PolarHBondContact O-N 3.42Å |
| 331 | L | 67.6 | Low | 65.1 | Low | 30 Ų | 30 | 111.9 Ų | 111.9 | 16% | 0.157 | 56% | 0.562 | C | S | . | * | S | Bend | trans | -73.1 | 86.9 | 165.5 | -70.6 | 171.5 | 0 | 0 | 0 | 108.2 | K149 L150 A327 I328 F333 | K149-L331 HydrophobicContact CD-CD2 4.37Å; L150-L331 HydrophobicContact CD2-CD1 4.04Å; A327-L331 WeakPolarHBondContact O-CG 3.33Å; A327-L331 PolarHBondContact O-N 3.48Å; I328-L331 PolarHBondContact O-N 3.47Å; L331-F333 WeakPolarHBondContact O-CD2 3.46Å; L331-F333 WeakPolarHBondContact O-CE2 3.41Å; L331-F333 PolarHBondContact O-N 2.98Å |
| 332 | N | 56.9 | Low | 63.6 | Low | 110 Ų | 110 | 117.9 Ų | 117.9 | 59% | 0.588 | 58% | 0.581 | S | S | * | * | trans | -61 | 116.1 | 175.2 | -164.5 | 35 | 0 | 0 | 0 | 109.4 | S330 Q334 | S330-N332 VanDerWaalsContact C-N 3.27Å; S330-N332 PolarHBondContact O-N 3.42Å; N332-Q334 WeakPolarHBondContact ND2-CB 3.33Å; N332-Q334 PolarHBondContact O-N 2.93Å; N332-Q334 VanDerWaalsContact O-N 3.13Å | ||
| 333 | F | 56.8 | Low | 62 | Low | 136 Ų | 136 | 116.7 Ų | 116.7 | 60% | 0.596 | 59% | 0.586 | S | S | * | * | trans | -79.4 | 16 | -176.2 | -72 | -86.7 | 0 | 0 | 0 | 113.6 | L146 I328 L331 | L146-F333 HydrophobicContact CD2-CE1 4.33Å; I328-F333 HydrophobicContact CG2-CE2 4.44Å; L331-F333 WeakPolarHBondContact O-CD2 3.46Å; L331-F333 WeakPolarHBondContact O-CE2 3.41Å; L331-F333 PolarHBondContact O-N 2.98Å | ||
| 334 | Q | 50.5 | Low | 60.5 | Low | 154 Ų | 154 | 122.9 Ų | 122.9 | 72% | 0.72 | 61% | 0.613 | S | S | * | * | trans | -88.8 | -4 | -164.2 | -152.8 | 89.5 | 43.8 | 0 | 0 | 114.9 | N332 | N332-Q334 WeakPolarHBondContact ND2-CB 3.33Å; N332-Q334 PolarHBondContact O-N 2.93Å; N332-Q334 VanDerWaalsContact O-N 3.13Å | ||
| 335 | E | 49.9 | Very low | 59.4 | Low | 164 Ų | 164 | 122.2 Ų | 122.2 | 77% | 0.766 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -111.6 | -9 | -163.7 | -67.4 | -177.1 | 173.1 | 0 | 0 | 116.1 | ||
| 336 | D | 47.8 | Very low | 57.9 | Low | 121 Ų | 121 | 118.4 Ų | 118.4 | 65% | 0.647 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -113.4 | -18.6 | -174 | -74.4 | -41.1 | 0 | 0 | 0 | 115.3 | D338 T339 | D336-D338 PolarHBondContact O-N 3.38Å; D336-T339 PolarHBondContact O-OG1 3.2Å; D336-T339 VanDerWaalsContact O-OG1 3.12Å |
| 337 | D | 49 | Very low | 56.5 | Low | 132 Ų | 132 | 118.3 Ų | 118.3 | 71% | 0.706 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -69.5 | -31.5 | -173.6 | -86.9 | -16.4 | 0 | 0 | 0 | 114.2 | T339 | D337-T339 PolarHBondContact O-N 3.48Š|
| 338 | D | 47.9 | Very low | 55.5 | Low | 128 Ų | 128 | 121.9 Ų | 121.9 | 68% | 0.684 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -74.3 | -24 | -176.7 | -78.9 | -30 | 0 | 0 | 0 | 113.5 | D336 S340 R341 | D336-D338 PolarHBondContact O-N 3.38Å; D338-S340 VanDerWaalsContact C-N 3.26Å; D338-S340 PolarHBondContact O-N 2.85Å; D338-R341 PolarHBondContact O-N 3.46Å |
| 339 | T | 52.5 | Low | 54.4 | Low | 109 Ų | 109 | 124.6 Ų | 124.6 | 67% | 0.669 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -75.5 | -12 | -177.5 | 62 | 0 | 0 | 0 | 0 | 114.4 | D336 D337 | D336-T339 PolarHBondContact O-OG1 3.2Å; D336-T339 VanDerWaalsContact O-OG1 3.12Å; D337-T339 PolarHBondContact O-N 3.48Å |
| 340 | S | 49.6 | Very low | 53.2 | Low | 95 Ų | 95 | 122.4 Ų | 122.4 | 66% | 0.664 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -104 | -3 | 179 | -60 | 0 | 0 | 0 | 0 | 113.5 | D338 | D338-S340 VanDerWaalsContact C-N 3.26Å; D338-S340 PolarHBondContact O-N 2.85Å |
| 341 | R | 49.2 | Very low | 52.2 | Low | 208 Ų | 208 | 121.3 Ų | 121.3 | 79% | 0.785 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -101.5 | -5.3 | -172.7 | -131.7 | 175.3 | 90.4 | 129.1 | 2.7 | 115.2 | D338 | D338-R341 PolarHBondContact O-N 3.46Š|
| 342 | E | 48.3 | Very low | 51.5 | Low | 159 Ų | 159 | 125.8 Ų | 125.8 | 74% | 0.743 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -96.7 | -10.5 | -175.9 | -62.4 | -148.1 | 143.6 | 0 | 0 | 115.3 | ||
| 343 | T | 52.9 | Low | 51.4 | Low | 112 Ų | 112 | 124.3 Ų | 124.3 | 69% | 0.687 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -90.5 | -5.6 | -173.6 | 51.6 | 0 | 0 | 0 | 0 | 115.6 | ||
| 344 | F | 47.9 | Very low | 51.3 | Low | 184 Ų | 184 | 122.5 Ų | 122.5 | 81% | 0.807 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -110.7 | -12.8 | -179 | -99.1 | -83.5 | 0 | 0 | 0 | 115.1 | ||
| 345 | A | 50.4 | Low | 51.2 | Low | 70 Ų | 70 | 122 Ų | 122 | 58% | 0.579 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -91.1 | -17.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | T348 | A345-T348 PolarHBondContact O-OG1 2.93Š|
| 346 | S | 49.5 | Very low | 51.1 | Low | 86 Ų | 86 | 121.7 Ų | 121.7 | 60% | 0.601 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -83.1 | -28.2 | -176.3 | -54.4 | 0 | 0 | 0 | 0 | 113.5 | T348 | S346-T348 VanDerWaalsContact C-N 3.34Å; S346-T348 PolarHBondContact O-N 2.92Å |
| 347 | D | 50.9 | Low | 51.2 | Low | 129 Ų | 129 | 125.1 Ų | 125.1 | 69% | 0.69 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -79.1 | -15.1 | -171 | -140.1 | 22.7 | 0 | 0 | 0 | 113.2 | ||
| 348 | T | 55.3 | Low | 51 | Low | 91 Ų | 91 | 122.8 Ų | 122.8 | 56% | 0.558 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -87.6 | -23 | 177.1 | 53.6 | 0 | 0 | 0 | 0 | 113.4 | A345 S346 L352 | A345-T348 PolarHBondContact O-OG1 2.93Å; S346-T348 VanDerWaalsContact C-N 3.34Å; S346-T348 PolarHBondContact O-N 2.92Å; T348-L352 WeakPolarHBondContact O-CG 3.41Å; T348-L352 PolarHBondContact O-N 3.28Å |
| 349 | N | 53.2 | Low | 50.4 | Low | 120 Ų | 120 | 126 Ų | 126 | 64% | 0.642 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -77.9 | -38.8 | 179.9 | -166 | 30.5 | 0 | 0 | 0 | 111.8 | A351 L352 A353 | N349-A351 VanDerWaalsContact C-N 3.33Å; N349-A351 PolarHBondContact O-N 2.89Å; N349-L352 PolarHBondContact O-N 3.48Å; N349-A353 PolarHBondContact O-N 3.29Å; N349-A353 VanDerWaalsContact O-N 3.14Å |
| 350 | E | 57.3 | Low | 49.6 | Very low | 144 Ų | 144 | 129.9 Ų | 129.9 | 67% | 0.673 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -67.5 | -34.1 | 176.8 | -167.7 | 167.7 | 172 | 0 | 0 | 112.1 | S354 | E350-S354 PolarHBondContact O-N 2.96Å; E350-S354 PolarHBondContact O-OG 2.9Å |
| 351 | A | 53.1 | Low | 48.6 | Very low | 65 Ų | 65 | 128.7 Ų | 128.7 | 54% | 0.537 | 71% | 0.714 | S | S | . | * | H | α-helix | trans | -67.1 | -35 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N349 | N349-A351 VanDerWaalsContact C-N 3.33Å; N349-A351 PolarHBondContact O-N 2.89Å |
| 352 | L | 52 | Low | 48.1 | Very low | 125 Ų | 125 | 125.1 Ų | 125.1 | 65% | 0.654 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -77.9 | -34.9 | 177.7 | -70.9 | 174.1 | 0 | 0 | 0 | 112.5 | T348 N349 S354 L355 | T348-L352 WeakPolarHBondContact O-CG 3.41Å; T348-L352 PolarHBondContact O-N 3.28Å; N349-L352 PolarHBondContact O-N 3.48Å; L352-S354 PolarHBondContact O-N 2.86Å; L352-L355 PolarHBondContact O-N 3.24Å |
| 353 | A | 54.5 | Low | 47.2 | Very low | 78 Ų | 78 | 123.3 Ų | 123.3 | 65% | 0.645 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -64.3 | -22.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N349 | N349-A353 PolarHBondContact O-N 3.29Å; N349-A353 VanDerWaalsContact O-N 3.14Å |
| 354 | S | 55.1 | Low | 46.1 | Very low | 98 Ų | 98 | 126.9 Ų | 126.9 | 69% | 0.685 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -1.5 | 180 | -58.5 | 0 | 0 | 0 | 0 | 114.3 | E350 L352 | E350-S354 PolarHBondContact O-N 2.96Å; E350-S354 PolarHBondContact O-OG 2.9Å; L352-S354 PolarHBondContact O-N 2.86Å |
| 355 | L | 49.4 | Very low | 45.4 | Very low | 144 Ų | 144 | 125.2 Ų | 125.2 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -103.9 | -10.9 | -177.4 | -145 | 78.8 | 0 | 0 | 0 | 114.1 | L352 | L352-L355 PolarHBondContact O-N 3.24Š|
| 356 | D | 48.3 | Very low | 44.6 | Very low | 157 Ų | 157 | 130.4 Ų | 130.4 | 84% | 0.84 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -94.9 | 2.1 | -171.1 | -149.9 | 32.1 | 0 | 0 | 0 | 113.8 | ||
| 357 | E | 48.5 | Very low | 43.7 | Very low | 194 Ų | 194 | 133.1 Ų | 133.1 | 91% | 0.907 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -101.8 | 38.3 | 176.6 | -153.3 | -179.2 | -178.2 | 0 | 0 | 112.9 | ||
| 358 | A | 45.8 | Very low | 42.6 | Very low | 82 Ų | 82 | 134.1 Ų | 134.1 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -147.1 | 110.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 359 | Q | 35.5 | Very low | 41.9 | Very low | 196 Ų | 196 | 133.6 Ų | 133.6 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | trans | 96.2 | 118.7 | 149.6 | -158.5 | 167.2 | -19.2 | 0 | 0 | 119 | ||||
| 360 | E | 35.4 | Very low | 41.1 | Very low | 190 Ų | 190 | 137 Ų | 137 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | trans | -67.9 | 149.7 | 172.2 | -53 | 171.4 | 123.1 | 0 | 0 | 112.8 | ||||
| 361 | G | 28.6 | Very low | 40.3 | Very low | 71 Ų | 71 | 139.7 Ų | 139.7 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | trans | 127.1 | 146.5 | 142.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 362 | P | 39 | Very low | 39.6 | Very low | 132 Ų | 132 | 141 Ų | 141 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | trans | -120.9 | 154.1 | -150.8 | 39.3 | -25.8 | 0 | 0 | 0 | 115.4 | ||||
| 363 | S | 28.5 | Very low | 39.2 | Very low | 122 Ų | 122 | 142.6 Ų | 142.6 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -153.8 | 132.8 | 147.2 | 54.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 364 | E | 30.8 | Very low | 38.6 | Very low | 187 Ų | 187 | 147.4 Ų | 147.4 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | -74 | 144.7 | 176.5 | -47.4 | 174.2 | 138.5 | 0 | 0 | 111.4 | ||||
| 365 | T | 33.4 | Very low | 38.1 | Very low | 149 Ų | 149 | 148 Ų | 148 | 91% | 0.914 | 82% | 0.815 | S | S | * | * | trans | -144.7 | 144.3 | 138.8 | 30.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 366 | K | 32.1 | Very low | 37.6 | Very low | 179 Ų | 179 | 147.6 Ų | 147.6 | 78% | 0.778 | 81% | 0.814 | S | S | * | * | trans | -98.2 | 146.6 | -169.8 | -92.7 | 175.1 | 176.8 | 171.9 | 0 | 112.1 | ||||
| 367 | L | 32 | Very low | 37.5 | Very low | 143 Ų | 143 | 146.5 Ų | 146.5 | 75% | 0.749 | 80% | 0.803 | S | S | * | * | trans | 63.7 | 154.1 | 144.3 | -58.3 | 169.3 | 0 | 0 | 0 | 115.7 | ||||
| 368 | D | 27.6 | Very low | 37.5 | Very low | 149 Ų | 149 | 143.3 Ų | 143.3 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | cis | -137.7 | 172.3 | 21 | -109.4 | -44.5 | 0 | 0 | 0 | 113.1 | ||||
| 369 | A | 39.4 | Very low | 37.8 | Very low | 81 Ų | 81 | 147.4 Ų | 147.4 | 67% | 0.669 | 81% | 0.805 | S | S | * | * | trans | -95.1 | -174.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 370 | E | 37.7 | Very low | 38.6 | Very low | 191 Ų | 191 | 145.7 Ų | 145.7 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | 78.3 | 101 | 176.7 | -47.9 | -83.4 | 135.2 | 0 | 0 | 115.6 | ||||
| 371 | E | 39.5 | Very low | 39.6 | Very low | 200 Ų | 200 | 144.9 Ų | 144.9 | 94% | 0.935 | 80% | 0.803 | S | S | * | * | -146.6 | 153.5 | 122.8 | -158.1 | 154.2 | -151.6 | 0 | 0 | 110.5 | |||||
| 372 | A | 38.8 | Very low | 40.5 | Very low | 92 Ų | 92 | 148.5 Ų | 148.5 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | -81.6 | 157.5 | -154.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | E374 | A372-E374 PolarHBondContact O-N 3.34Š| ||
| 373 | I | 44.3 | Very low | 40.8 | Very low | 160 Ų | 160 | 149 Ų | 149 | 82% | 0.821 | 80% | 0.799 | S | S | * | * | trans | -69.9 | 111.8 | 163.4 | -66 | 158.9 | 0 | 0 | 0 | 108.1 | V375 | I373-V375 HydrophobicContact CG2-CG2 3.67Š| ||
| 374 | E | 40.9 | Very low | 41.3 | Very low | 178 Ų | 178 | 156.3 Ų | 156.3 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | trans | -99.8 | 122.3 | 168.2 | -163.4 | 162.3 | -130.6 | 0 | 0 | 109.2 | A372 | A372-E374 PolarHBondContact O-N 3.34Š| ||
| 375 | V | 45.2 | Very low | 41.8 | Very low | 112 Ų | 112 | 154.8 Ų | 154.8 | 68% | 0.679 | 81% | 0.813 | S | S | * | * | trans | -123.7 | 97.6 | -178.3 | 171.4 | 0 | 0 | 0 | 0 | 108.5 | I373 H377 | I373-V375 HydrophobicContact CG2-CG2 3.67Å; V375-H377 PolarHBondContact O-ND1 3.36Å | ||
| 376 | D | 38.3 | Very low | 42.3 | Very low | 135 Ų | 135 | 155.1 Ų | 155.1 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | -133.1 | 149 | 166.8 | -85.4 | -28.7 | 0 | 0 | 0 | 108.8 | ||||
| 377 | H | 45.5 | Very low | 42.8 | Very low | 133 Ų | 133 | 153.7 Ų | 153.7 | 62% | 0.616 | 81% | 0.809 | S | S | * | * | cis | -173.8 | 141.6 | -30.5 | -119.5 | 82.6 | 0 | 0 | 0 | 101.4 | V375 Q379 | V375-H377 PolarHBondContact O-ND1 3.36Å; H377-Q379 VanDerWaalsContact C-N 3.3Å; H377-Q379 PolarHBondContact O-N 3.13Å | ||
| 378 | P | 49.9 | Very low | 43.5 | Very low | 128 Ų | 128 | 154.4 Ų | 154.4 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 57.8 | -156.3 | 34.6 | -38.9 | 0 | 0 | 0 | 114.6 | ||
| 379 | Q | 52.2 | Low | 44.5 | Very low | 167 Ų | 167 | 154.7 Ų | 154.7 | 78% | 0.78 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.4 | -7.7 | -177.1 | -92.9 | 157.4 | -14.1 | 0 | 0 | 116.4 | H377 L381 | H377-Q379 VanDerWaalsContact C-N 3.3Å; H377-Q379 PolarHBondContact O-N 3.13Å; Q379-L381 VanDerWaalsContact C-N 3.35Å; Q379-L381 PolarHBondContact O-N 2.94Å |
| 380 | D | 52 | Low | 44.8 | Very low | 161 Ų | 161 | 159.6 Ų | 159.6 | 86% | 0.861 | 82% | 0.824 | S | S | * | * | trans | -91.2 | 56.4 | 176.3 | -76.9 | -14.2 | 0 | 0 | 0 | 113.3 | ||||
| 381 | L | 56.7 | Low | 45.3 | Very low | 172 Ų | 172 | 157.4 Ų | 157.4 | 90% | 0.901 | 82% | 0.819 | S | S | * | * | trans | -131.6 | 64.5 | 166.9 | -77.3 | 179.6 | 0 | 0 | 0 | 111.2 | Q379 | Q379-L381 VanDerWaalsContact C-N 3.35Å; Q379-L381 PolarHBondContact O-N 2.94Å | ||
| 382 | D | 46.1 | Very low | 45.8 | Very low | 148 Ų | 148 | 154.1 Ų | 154.1 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | -130.9 | 135.3 | 157.9 | -102.6 | -36.9 | 0 | 0 | 0 | 108.9 | ||||
| 383 | I | 45.6 | Very low | 46.3 | Very low | 142 Ų | 142 | 159.3 Ų | 159.3 | 73% | 0.728 | 81% | 0.814 | S | S | * | * | trans | 74.2 | 95.7 | 174.3 | -45.3 | 157.2 | 0 | 0 | 0 | 115.6 | ||||
| 384 | F | 39.6 | Very low | 46.5 | Very low | 275 Ų | 275 | 159.2 Ų | 159.2 | 100% | 1.206 | 81% | 0.813 | S | S | * | * | -166.4 | 0 | 103.2 | -101 | -66.7 | 0 | 0 | 0 | 112.3 |
Retrieved 384 of 384 residues in 120.9 ms
(Link to these results)