| 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 | 42.8 | Very low | 35.2 | Very low | 248 Ų | 248 | 185.2 Ų | 185.2 | 100% | 1.222 | 88% | 0.877 | S | S | * | * | 0 | 90.7 | 0 | -73.9 | -170.1 | -161.4 | 0 | 0 | 107.1 | |||||
| 2 | E | 34.8 | Very low | 35.5 | Very low | 190 Ų | 190 | 181.1 Ų | 181.1 | 89% | 0.888 | 87% | 0.872 | S | S | * | * | trans | -95.4 | 121.2 | -179.1 | -70.9 | 173.5 | 154.2 | 0 | 0 | 108.7 | ||||
| 3 | R | 36.9 | Very low | 35.6 | Very low | 245 Ų | 245 | 179 Ų | 179 | 93% | 0.925 | 87% | 0.868 | S | S | * | * | trans | -101.3 | 102.7 | 166.6 | -90.6 | -173.1 | -175.5 | 129.1 | -1.2 | 108.1 | ||||
| 4 | Q | 35.9 | Very low | 35.3 | Very low | 190 Ų | 190 | 176.9 Ų | 176.9 | 89% | 0.888 | 86% | 0.863 | S | S | * | * | trans | -65 | 127.5 | 161.9 | -74.2 | 173.1 | -16.1 | 0 | 0 | 108.7 | ||||
| 5 | R | 36.8 | Very low | 35.5 | Very low | 222 Ų | 222 | 177.3 Ų | 177.3 | 84% | 0.838 | 86% | 0.863 | S | S | * | * | trans | -105.1 | 113.9 | 165 | -76.4 | -173.3 | -177.2 | -179.2 | 1.2 | 107.8 | ||||
| 6 | S | 34.9 | Very low | 35.7 | Very low | 120 Ų | 120 | 175.3 Ų | 175.3 | 84% | 0.839 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 131.3 | 166.3 | 43.8 | 0 | 0 | 0 | 0 | 109.5 | ||
| 7 | F | 36.3 | Very low | 35.5 | Very low | 183 Ų | 183 | 176.4 Ų | 176.4 | 80% | 0.803 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -101 | 128.7 | 167.3 | -79 | -86.9 | 0 | 0 | 0 | 108.8 | ||
| 8 | E | 33.3 | Very low | 35.6 | Very low | 188 Ų | 188 | 175 Ų | 175 | 88% | 0.879 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 119.2 | 174.9 | -161.5 | 164.4 | -155.1 | 0 | 0 | 107.5 | ||
| 9 | V | 32.7 | Very low | 35.5 | Very low | 125 Ų | 125 | 175 Ų | 175 | 76% | 0.758 | 86% | 0.859 | S | S | * | * | trans | -92.5 | 110.8 | 177.4 | 176.4 | 0 | 0 | 0 | 0 | 107.3 | H11 | V9-H11 PolarHBondContact O-N 3.24Š| ||
| 10 | L | 31.3 | Very low | 35.5 | Very low | 157 Ų | 157 | 175.3 Ų | 175.3 | 82% | 0.822 | 86% | 0.858 | S | S | * | * | trans | -81 | 111.9 | 169.1 | -96 | 154.2 | 0 | 0 | 0 | 108.9 | ||||
| 11 | H | 31.9 | Very low | 35.7 | Very low | 169 Ų | 169 | 173.3 Ų | 173.3 | 78% | 0.782 | 86% | 0.856 | S | S | * | * | trans | -63.4 | 126.6 | 163.8 | -92.8 | -68.5 | 0 | 0 | 0 | 109.1 | V9 | V9-H11 PolarHBondContact O-N 3.24Š| ||
| 12 | V | 38.7 | Very low | 35.1 | Very low | 136 Ų | 136 | 169.5 Ų | 169.5 | 82% | 0.824 | 84% | 0.841 | S | S | * | * | trans | -109.9 | 122.6 | 164.9 | 178.4 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 13 | D | 36.6 | Very low | 34.9 | Very low | 154 Ų | 154 | 165.3 Ų | 165.3 | 82% | 0.824 | 83% | 0.832 | S | S | * | * | trans | -64.7 | 131.6 | -176.5 | -73 | -46.7 | 0 | 0 | 0 | 112.1 | E15 | D13-E15 PolarHBondContact O-N 3.06Š| ||
| 14 | D | 31.3 | Very low | 34.7 | Very low | 149 Ų | 149 | 161.2 Ų | 161.2 | 80% | 0.797 | 83% | 0.828 | S | S | * | * | trans | -71.3 | 99.5 | 166.3 | -111.9 | -25.2 | 0 | 0 | 0 | 108.5 | ||||
| 15 | E | 37.9 | Very low | 34.5 | Very low | 183 Ų | 183 | 158.9 Ų | 158.9 | 86% | 0.855 | 83% | 0.827 | S | S | * | * | trans | -162.7 | 87.6 | 154 | -78.1 | -146 | 172.1 | 0 | 0 | 110.3 | D13 | D13-E15 PolarHBondContact O-N 3.06Š| ||
| 16 | T | 38.8 | Very low | 34.3 | Very low | 146 Ų | 146 | 157 Ų | 157 | 90% | 0.896 | 83% | 0.827 | S | S | * | * | trans | 176.1 | 83.1 | 135.1 | 20.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 17 | F | 32.9 | Very low | 34.2 | Very low | 194 Ų | 194 | 157.2 Ų | 157.2 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | trans | -80.4 | 114 | 157.4 | -108 | -95.8 | 0 | 0 | 0 | 107.4 | ||||
| 18 | D | 37.7 | Very low | 33.9 | Very low | 151 Ų | 151 | 155 Ų | 155 | 81% | 0.807 | 83% | 0.83 | S | S | * | * | trans | -138.4 | 86.4 | 154.5 | -99.2 | -24 | 0 | 0 | 0 | 108.5 | ||||
| 19 | Q | 32.1 | Very low | 34 | Very low | 175 Ų | 175 | 156.3 Ų | 156.3 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | 24.3 | 100.1 | 126.8 | -161.7 | 169.6 | 37.6 | 0 | 0 | 117.1 | |||||
| 20 | E | 36.9 | Very low | 33.9 | Very low | 180 Ų | 180 | 157.4 Ų | 157.4 | 84% | 0.841 | 83% | 0.829 | S | S | * | * | trans | -169.3 | 142.1 | 134.7 | -109.7 | 171.5 | -168.7 | 0 | 0 | 111.2 | ||||
| 21 | T | 38.7 | Very low | 34 | Very low | 135 Ų | 135 | 156.6 Ų | 156.6 | 83% | 0.828 | 83% | 0.83 | S | S | * | * | trans | 88.7 | 72 | 170.8 | 67.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 22 | D | 30.1 | Very low | 34 | Very low | 168 Ų | 168 | 153.8 Ų | 153.8 | 90% | 0.898 | 83% | 0.83 | S | S | * | * | trans | -35.3 | 126.6 | 136 | -83.2 | -41.7 | 0 | 0 | 0 | 112.1 | ||||
| 23 | S | 31.1 | Very low | 33.6 | Very low | 101 Ų | 101 | 156.4 Ų | 156.4 | 71% | 0.706 | 83% | 0.833 | S | S | * | * | trans | 145.8 | 113.3 | 151.1 | 168.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 24 | L | 33.5 | Very low | 33.4 | Very low | 160 Ų | 160 | 158.3 Ų | 158.3 | 84% | 0.838 | 84% | 0.837 | S | S | * | * | trans | 127.2 | 54.3 | 159.8 | -63.4 | 171.6 | 0 | 0 | 0 | 113.6 | ||||
| 25 | V | 31 | Very low | 33.3 | Very low | 141 Ų | 141 | 155.8 Ų | 155.8 | 86% | 0.855 | 84% | 0.837 | S | S | * | * | trans | -107.2 | 89.3 | 150.5 | 179.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 26 | E | 31.9 | Very low | 33.2 | Very low | 183 Ų | 183 | 153.6 Ų | 153.6 | 86% | 0.855 | 84% | 0.835 | S | S | * | * | trans | 171.7 | 109 | 154.3 | -107.6 | 176.6 | 155.8 | 0 | 0 | 110.2 | ||||
| 27 | S | 34.4 | Very low | 32.9 | Very low | 123 Ų | 123 | 151.7 Ų | 151.7 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | trans | 173.6 | 80.5 | 141.3 | 40 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 28 | V | 29.1 | Very low | 33 | Very low | 138 Ų | 138 | 149.7 Ų | 149.7 | 84% | 0.836 | 82% | 0.824 | S | S | * | * | trans | -91.2 | 105.7 | 151.3 | 172.4 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 29 | Y | 34.7 | Very low | 33 | Very low | 214 Ų | 214 | 151.3 Ų | 151.3 | 84% | 0.839 | 83% | 0.827 | S | S | * | * | trans | -158.9 | 107 | 160.4 | -105.2 | -79.6 | 0 | 0 | 0 | 111.8 | ||||
| 30 | L | 31.5 | Very low | 33.2 | Very low | 148 Ų | 148 | 148.3 Ų | 148.3 | 78% | 0.775 | 83% | 0.825 | S | S | * | * | trans | 19.8 | 116.9 | 136.6 | -67.1 | 156.9 | 0 | 0 | 0 | 119.5 | ||||
| 31 | V | 33.8 | Very low | 33.3 | Very low | 140 Ų | 140 | 145.4 Ų | 145.4 | 85% | 0.848 | 82% | 0.821 | S | S | * | * | trans | -159 | 100.2 | 137.7 | 179.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 32 | S | 31.3 | Very low | 32.9 | Very low | 111 Ų | 111 | 144.1 Ų | 144.1 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | 65 | 123.9 | 96.2 | -75.1 | 0 | 0 | 0 | 0 | 117 | |||||
| 33 | E | 29.8 | Very low | 33.4 | Very low | 191 Ų | 191 | 146.6 Ų | 146.6 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | trans | -33.6 | 134.3 | 168.2 | -70.6 | 158.6 | 116.6 | 0 | 0 | 115.8 | ||||
| 34 | Q | 32 | Very low | 33.6 | Very low | 194 Ų | 194 | 147.7 Ų | 147.7 | 91% | 0.907 | 82% | 0.819 | S | S | * | * | trans | -150.9 | 119.6 | 135.3 | -125.2 | 166.6 | 14.7 | 0 | 0 | 111 | ||||
| 35 | A | 31 | Very low | 33.7 | Very low | 95 Ų | 95 | 149.1 Ų | 149.1 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | trans | -72.2 | 136.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 36 | V | 35.7 | Very low | 34 | Very low | 137 Ų | 137 | 149.2 Ų | 149.2 | 83% | 0.83 | 82% | 0.822 | S | S | * | * | trans | -141.3 | 118.9 | 156.5 | -178.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 37 | P | 31.9 | Very low | 34.2 | Very low | 106 Ų | 106 | 144.9 Ų | 144.9 | 69% | 0.688 | 81% | 0.812 | S | S | * | * | trans | -96.2 | 178 | 171.2 | 37.1 | -28.9 | 0 | 0 | 0 | 111.7 | ||||
| 38 | D | 34.6 | Very low | 34.3 | Very low | 152 Ų | 152 | 147.3 Ų | 147.3 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | 81.9 | 126.1 | -177.5 | -67.9 | -28 | 0 | 0 | 0 | 114.7 | ||||
| 39 | E | 36.8 | Very low | 34.7 | Very low | 186 Ų | 186 | 146.1 Ų | 146.1 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | cis | -140.9 | 144.6 | 35.8 | -68.9 | -179 | 135.2 | 0 | 0 | 112.8 | ||||
| 40 | S | 36.7 | Very low | 34.8 | Very low | 111 Ų | 111 | 142 Ų | 142 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -83 | 141.6 | 172.3 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 41 | P | 38.9 | Very low | 35.1 | Very low | 119 Ų | 119 | 143.4 Ų | 143.4 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -87.8 | 111.4 | 158.7 | 31.6 | -24.9 | 0 | 0 | 0 | 109.2 | ||||
| 42 | S | 32 | Very low | 35.2 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -79.3 | 120 | 168.7 | 70.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 43 | Y | 39.5 | Very low | 35.4 | Very low | 221 Ų | 221 | 144.5 Ų | 144.5 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | -128.7 | 103 | 153 | -84.4 | -82.3 | 0 | 0 | 0 | 108.9 | ||||
| 44 | T | 36.4 | Very low | 35.4 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | trans | 31.7 | 108.6 | 144.3 | -36.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 45 | E | 34.1 | Very low | 35.5 | Very low | 190 Ų | 190 | 139.1 Ų | 139.1 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -59 | 136.8 | 158.1 | -71.3 | -180 | 141.5 | 0 | 0 | 111.6 | ||||
| 46 | V | 38.3 | Very low | 35.5 | Very low | 142 Ų | 142 | 142.3 Ų | 142.3 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | -117.6 | 125.5 | 153.2 | 178.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 47 | S | 36.5 | Very low | 35.2 | Very low | 93 Ų | 93 | 141.2 Ų | 141.2 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | trans | -56.6 | 152.8 | -171.7 | -67.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 48 | E | 35.4 | Very low | 35.1 | Very low | 174 Ų | 174 | 141.4 Ų | 141.4 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | 65.1 | 112.3 | 136.2 | -72.2 | 169 | -172.1 | 0 | 0 | 119.3 | ||||
| 49 | S | 37.7 | Very low | 34.7 | Very low | 112 Ų | 112 | 138.3 Ų | 138.3 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | 172.3 | 128.1 | 98.1 | -87.7 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 50 | D | 37.4 | Very low | 34.3 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | trans | 48.2 | 122.3 | 137.4 | -80.3 | 4.7 | 0 | 0 | 0 | 122.7 | ||||
| 51 | K | 37.7 | Very low | 34.1 | Very low | 176 Ų | 176 | 137.5 Ų | 137.5 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | trans | 89.2 | 118.5 | 133.5 | -73.2 | 171.4 | -179.4 | 155 | 0 | 119.9 | ||||
| 52 | S | 35.9 | Very low | 33.7 | Very low | 98 Ų | 98 | 138.7 Ų | 138.7 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | trans | 76.4 | 120.2 | 131.3 | 62.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 53 | E | 35.9 | Very low | 33.6 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | 80.1 | 109.1 | 135.7 | -67.4 | 179.3 | 173.1 | 0 | 0 | 118.7 | ||||
| 54 | N | 29.8 | Very low | 33.1 | Very low | 168 Ų | 168 | 138.1 Ų | 138.1 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | 50.7 | 91.2 | 129.1 | -107 | 19 | 0 | 0 | 0 | 116.8 | |||||
| 55 | S | 33.9 | Very low | 32.8 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -154.1 | 113.9 | 147.5 | 41 | 0 | 0 | 0 | 0 | 111.2 | S57 | S55-S57 PolarHBondContact O-N 3.25Š| ||
| 56 | L | 30 | Very low | 32.4 | Very low | 163 Ų | 163 | 137.1 Ų | 137.1 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | trans | -58.4 | 98.4 | 166.4 | -155.2 | 92.7 | 0 | 0 | 0 | 108.1 | T58 | L56-T58 VanDerWaalsContact C-N 3.34Å; L56-T58 PolarHBondContact O-N 3.47Å | ||
| 57 | S | 29.5 | Very low | 31.9 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | trans | -74.9 | 87.2 | 177 | -66.4 | 0 | 0 | 0 | 0 | 110.3 | S55 S59 | S55-S57 PolarHBondContact O-N 3.25Å; S57-S59 PolarHBondContact O-N 3.44Å; S57-S59 VanDerWaalsContact O-N 3.15Å | ||
| 58 | T | 29.4 | Very low | 31.7 | Very low | 110 Ų | 110 | 138.3 Ų | 138.3 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | trans | -68.1 | 100.7 | 158.1 | 46.2 | 0 | 0 | 0 | 0 | 108 | L56 T60 | L56-T58 VanDerWaalsContact C-N 3.34Å; L56-T58 PolarHBondContact O-N 3.47Å; T58-T60 VanDerWaalsContact C-N 3.32Å; T58-T60 PolarHBondContact O-N 3.04Å | ||
| 59 | S | 27.8 | Very low | 31.5 | Very low | 87 Ų | 87 | 136.7 Ų | 136.7 | 61% | 0.608 | 74% | 0.742 | S | S | * | * | trans | -72.8 | 86.6 | 173.4 | -174 | 0 | 0 | 0 | 0 | 109.8 | S57 F61 | S57-S59 PolarHBondContact O-N 3.44Å; S57-S59 VanDerWaalsContact O-N 3.15Å; S59-F61 PolarHBondContact O-N 3.39Å; S59-F61 WeakPolarHBondContact OG-CD2 3.36Å; S59-F61 WeakPolarHBondContact OG-CE2 3.45Å | ||
| 60 | T | 27.6 | Very low | 31.1 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 67% | 0.669 | 74% | 0.743 | S | S | * | * | trans | -73 | 102.6 | 167.2 | -57.3 | 0 | 0 | 0 | 0 | 108 | T58 | T58-T60 VanDerWaalsContact C-N 3.32Å; T58-T60 PolarHBondContact O-N 3.04Å | ||
| 61 | F | 32.4 | Very low | 30.9 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 75% | 0.75 | 75% | 0.746 | S | S | * | * | trans | -91 | 108.2 | 164.6 | -77.6 | -73.1 | 0 | 0 | 0 | 108.4 | S59 F63 | S59-F61 PolarHBondContact O-N 3.39Å; S59-F61 WeakPolarHBondContact OG-CD2 3.36Å; S59-F61 WeakPolarHBondContact OG-CE2 3.45Å; F61-F63 PolarHBondContact O-N 3.17Å | ||
| 62 | D | 30.6 | Very low | 30.5 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 77% | 0.765 | 75% | 0.749 | S | S | * | * | trans | -59 | 127.4 | 171.4 | -77.9 | -38.9 | 0 | 0 | 0 | 110.1 | V64 | D62-V64 PolarHBondContact O-N 3.46Å; D62-V64 VanDerWaalsContact O-N 3.11Å | ||
| 63 | F | 30 | Very low | 30 | Very low | 192 Ų | 192 | 139.7 Ų | 139.7 | 84% | 0.842 | 75% | 0.751 | S | S | * | * | trans | -65.9 | 108.4 | 170.7 | -71.4 | -94 | 0 | 0 | 0 | 108.5 | F61 K65 | F61-F63 PolarHBondContact O-N 3.17Å; F63-K65 VanDerWaalsContact C-N 3.25Å; F63-K65 PolarHBondContact O-N 3.2Å | ||
| 64 | V | 30 | Very low | 29.5 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | trans | -67.8 | 94.8 | 159.1 | 179.5 | 0 | 0 | 0 | 0 | 106.8 | D62 L66 | D62-V64 PolarHBondContact O-N 3.46Å; D62-V64 VanDerWaalsContact O-N 3.11Å; V64-L66 HydrophobicContact CG1-CD1 4.27Å; V64-L66 PolarHBondContact O-N 3.23Å; V64-L66 VanDerWaalsContact O-N 3.1Å | ||
| 65 | K | 28.2 | Very low | 29.5 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 67% | 0.674 | 75% | 0.748 | S | S | * | * | trans | -67 | 97.6 | 166.6 | -170.5 | 177 | -172.2 | -111.6 | 0 | 107.4 | F63 D67 | F63-K65 VanDerWaalsContact C-N 3.25Å; F63-K65 PolarHBondContact O-N 3.2Å; K65-D67 VanDerWaalsContact C-N 3.31Å; K65-D67 WeakPolarHBondContact CE-OD1 3.34Å; K65-D67 VanDerWaalsContact NZ-CG 3.26Å; K65-D67 IonicContact NZ-OD1 2.78Å; K65-D67 PolarHBondContact NZ-OD1 3.26Å; K65-D67 IonicContact NZ-OD2 3.41Å; K65-D67 PolarHBondContact NZ-OD2 2.99Å; K65-D67 PolarHBondContact O-N 2.63Å; K65-D67 VanDerWaalsContact O-N 3.15Å | ||
| 66 | L | 27.2 | Very low | 29.3 | Very low | 137 Ų | 137 | 136.9 Ų | 136.9 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | trans | -78.4 | 87.8 | 165.3 | -103.8 | 131 | 0 | 0 | 0 | 107.5 | V64 I68 | V64-L66 HydrophobicContact CG1-CD1 4.27Å; V64-L66 PolarHBondContact O-N 3.23Å; V64-L66 VanDerWaalsContact O-N 3.1Å; L66-I68 HydrophobicContact CD2-CD1 4.4Å; L66-I68 HydrophobicContact CD2-CG1 4.11Å; L66-I68 PolarHBondContact O-N 2.98Å | ||
| 67 | D | 27.1 | Very low | 29.2 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 59% | 0.594 | 75% | 0.752 | S | S | * | * | trans | -69.6 | 99 | 159.4 | -80 | -37.3 | 0 | 0 | 0 | 106.8 | K65 D69 | K65-D67 VanDerWaalsContact C-N 3.31Å; K65-D67 WeakPolarHBondContact CE-OD1 3.34Å; K65-D67 VanDerWaalsContact NZ-CG 3.26Å; K65-D67 IonicContact NZ-OD1 2.78Å; K65-D67 PolarHBondContact NZ-OD1 3.26Å; K65-D67 IonicContact NZ-OD2 3.41Å; K65-D67 PolarHBondContact NZ-OD2 2.99Å; K65-D67 PolarHBondContact O-N 2.63Å; K65-D67 VanDerWaalsContact O-N 3.15Å; D67-D69 VanDerWaalsContact C-N 3.31Å; D67-D69 PolarHBondContact O-N 2.89Å | ||
| 68 | I | 32.9 | Very low | 29.2 | Very low | 150 Ų | 150 | 138.1 Ų | 138.1 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | -85.8 | 87.4 | 165.8 | -61.2 | 177.6 | 0 | 0 | 0 | 106 | L66 | L66-I68 HydrophobicContact CD2-CD1 4.4Å; L66-I68 HydrophobicContact CD2-CG1 4.11Å; L66-I68 PolarHBondContact O-N 2.98Å | ||
| 69 | D | 31.1 | Very low | 29.2 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | trans | -72.3 | 141.2 | 177.5 | -141.4 | -9.1 | 0 | 0 | 0 | 110.5 | D67 N71 | D67-D69 VanDerWaalsContact C-N 3.31Å; D67-D69 PolarHBondContact O-N 2.89Å; D69-N71 PolarHBondContact O-N 3.48Å | ||
| 70 | Q | 29 | Very low | 29.4 | Very low | 169 Ų | 169 | 140.1 Ų | 140.1 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | trans | -57.8 | 118.4 | -177.7 | -68.9 | 166.3 | -13.6 | 0 | 0 | 110.8 | ||||
| 71 | N | 32.8 | Very low | 29.6 | Very low | 140 Ų | 140 | 140.1 Ų | 140.1 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | -159.5 | 104.6 | 154.6 | -88.9 | -44.9 | 0 | 0 | 0 | 111.8 | D69 | D69-N71 PolarHBondContact O-N 3.48Š| ||
| 72 | H | 28.8 | Very low | 29.4 | Very low | 180 Ų | 180 | 138 Ų | 138 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | trans | 39.9 | 108.7 | 135.7 | -62.1 | -70.5 | 0 | 0 | 0 | 119.7 | ||||
| 73 | A | 26.9 | Very low | 29.3 | Very low | 89 Ų | 89 | 136.7 Ų | 136.7 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | -167.7 | 111.5 | 122.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | I75 | A73-I75 PolarHBondContact O-N 3.1Š| |||
| 74 | A | 25.6 | Very low | 29.6 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 87% | 0.868 | 77% | 0.766 | S | S | * | * | trans | -57.6 | 118.1 | 169 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 75 | I | 28.6 | Very low | 29.8 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 80% | 0.795 | 77% | 0.765 | S | S | * | * | trans | -125.2 | 102.7 | 161.9 | -58.8 | -179.2 | 0 | 0 | 0 | 106.9 | A73 Q77 | A73-I75 PolarHBondContact O-N 3.1Å; I75-Q77 PolarHBondContact O-N 3.43Å | ||
| 76 | T | 29.2 | Very low | 30.3 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -49 | 120.8 | 171.9 | -39.2 | 0 | 0 | 0 | 0 | 110.3 | ||
| 77 | Q | 27.8 | Very low | 30.5 | Very low | 184 Ų | 184 | 137.1 Ų | 137.1 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -66 | 134.8 | 169.5 | -68.2 | -172.2 | -41.7 | 0 | 0 | 110.4 | I75 | I75-Q77 PolarHBondContact O-N 3.43Š|
| 78 | P | 29.5 | Very low | 30.7 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 125.7 | 147.8 | 28.3 | -15.5 | 0 | 0 | 0 | 109.1 | ||
| 79 | S | 31.1 | Very low | 30.5 | Very low | 103 Ų | 103 | 137 Ų | 137 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 141.6 | 178.4 | -49.9 | 0 | 0 | 0 | 0 | 113.4 | S81 | S79-S81 PolarHBondContact O-N 2.84Š|
| 80 | P | 32 | Very low | 30.5 | Very low | 135 Ų | 135 | 139 Ų | 139 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | trans | -85.3 | 100.9 | 174 | 33.6 | -27.6 | 0 | 0 | 0 | 108.8 | ||||
| 81 | S | 29.9 | Very low | 30.5 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | -143.1 | 62.1 | 162.9 | 68.7 | 0 | 0 | 0 | 0 | 110 | S79 | S79-S81 PolarHBondContact O-N 2.84Š| ||
| 82 | C | 28.8 | Very low | 30.6 | Very low | 126 Ų | 126 | 135 Ų | 135 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | -104.9 | 100.8 | 160.4 | -96.6 | 0 | 0 | 0 | 0 | 107.9 | L84 | C82-L84 PolarHBondContact O-N 2.96Š| ||
| 83 | N | 29.3 | Very low | 30.8 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 62% | 0.62 | 78% | 0.779 | S | S | * | * | trans | -62.3 | 112.2 | 171.8 | -144.5 | -42.7 | 0 | 0 | 0 | 107.8 | D85 | N83-D85 PolarHBondContact O-N 3.34Å; N83-D85 VanDerWaalsContact O-N 3.09Å | ||
| 84 | L | 34.9 | Very low | 31.1 | Very low | 150 Ų | 150 | 132.9 Ų | 132.9 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -70.2 | -1.8 | -173.3 | -143.2 | 72.8 | 0 | 0 | 0 | 113 | C82 | C82-L84 PolarHBondContact O-N 2.96Š|
| 85 | D | 35.9 | Very low | 31.6 | Very low | 140 Ų | 140 | 137 Ų | 137 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -96 | 10.2 | -178.2 | -71.4 | -31.3 | 0 | 0 | 0 | 114.7 | N83 | N83-D85 PolarHBondContact O-N 3.34Å; N83-D85 VanDerWaalsContact O-N 3.09Å |
| 86 | Q | 37.5 | Very low | 32 | Very low | 167 Ų | 167 | 139.1 Ų | 139.1 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -105.5 | 9.4 | 175.7 | -72 | -174.1 | 17.3 | 0 | 0 | 114.9 | H88 | Q86-H88 PolarHBondContact O-N 3.49Š|
| 87 | L | 31.6 | Very low | 32.1 | Very low | 163 Ų | 163 | 141.5 Ų | 141.5 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | -81.1 | 63.6 | 168.9 | -85.2 | 161.6 | 0 | 0 | 0 | 110.8 | ||||
| 88 | H | 32.1 | Very low | 32.3 | Very low | 165 Ų | 165 | 138.6 Ų | 138.6 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | trans | -98.7 | 114.5 | 166.8 | -113.2 | -79.9 | 0 | 0 | 0 | 109.5 | Q86 | Q86-H88 PolarHBondContact O-N 3.49Š| ||
| 89 | C | 28.9 | Very low | 32.5 | Very low | 94 Ų | 94 | 138.6 Ų | 138.6 | 64% | 0.635 | 77% | 0.766 | S | S | * | * | trans | 60.9 | 82.4 | 154.8 | -60.1 | 0 | 0 | 0 | 0 | 117 | S91 | C89-S91 PolarHBondContact O-N 2.88Å; C89-S91 PolarHBondContact O-OG 2.91Å | ||
| 90 | L | 30 | Very low | 32.7 | Very low | 180 Ų | 180 | 139.6 Ų | 139.6 | 94% | 0.942 | 76% | 0.763 | S | S | * | * | trans | -67.9 | 87.8 | 140.2 | -98.7 | 158.2 | 0 | 0 | 0 | 107.2 | V92 | L90-V92 PolarHBondContact O-N 3.44Š| ||
| 91 | S | 29.5 | Very low | 32.8 | Very low | 98 Ų | 98 | 138.7 Ų | 138.7 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | trans | -54.3 | 107.5 | 172.1 | -44.1 | 0 | 0 | 0 | 0 | 109 | C89 | C89-S91 PolarHBondContact O-N 2.88Å; C89-S91 PolarHBondContact O-OG 2.91Å | ||
| 92 | V | 33.8 | Very low | 33 | Very low | 127 Ų | 127 | 143.3 Ų | 143.3 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | -54.5 | 127.5 | 154.5 | 179.7 | 0 | 0 | 0 | 0 | 105.7 | L90 D94 | L90-V92 PolarHBondContact O-N 3.44Å; V92-D94 PolarHBondContact O-N 3.4Å | ||
| 93 | P | 35 | Very low | 33.3 | Very low | 112 Ų | 112 | 145.8 Ų | 145.8 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -64.6 | 114.4 | 177.4 | 26.4 | -29.5 | 0 | 0 | 0 | 107.4 | E95 | P93-E95 PolarHBondContact O-N 3.09Å; P93-E95 VanDerWaalsContact O-N 3.1Å | ||
| 94 | D | 33 | Very low | 33.5 | Very low | 112 Ų | 112 | 148.4 Ų | 148.4 | 60% | 0.599 | 76% | 0.764 | S | S | * | * | trans | -51.5 | 110.1 | 166.2 | -168.6 | 13.3 | 0 | 0 | 0 | 106.9 | V92 R96 | V92-D94 PolarHBondContact O-N 3.4Å; D94-R96 HydrophobicContact CB-CG 4.4Å; D94-R96 PolarHBondContact O-N 3.41Å; D94-R96 WeakPolarHBondContact OD2-CG 3.47Å; D94-R96 IonicContact OD2-CZ 2.76Å; D94-R96 IonicContact OD2-NE 3.11Å; D94-R96 PolarHBondContact OD2-NE 3.19Å; D94-R96 IonicContact OD2-NH2 3.3Å; D94-R96 PolarHBondContact OD2-NH2 2.97Å | ||
| 95 | E | 35.8 | Very low | 33.5 | Very low | 191 Ų | 191 | 145.9 Ų | 145.9 | 89% | 0.893 | 76% | 0.757 | S | S | * | * | trans | -66.3 | 73.1 | 170.1 | -70.4 | -166 | 167.9 | 0 | 0 | 108.3 | P93 E97 | P93-E95 PolarHBondContact O-N 3.09Å; P93-E95 VanDerWaalsContact O-N 3.1Å; E95-E97 PolarHBondContact O-N 3.3Å | ||
| 96 | R | 37.1 | Very low | 33.3 | Very low | 200 Ų | 200 | 145.2 Ų | 145.2 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -78.5 | 108 | 165.7 | -69.7 | -165.7 | -174.3 | -164.8 | 0 | 107.8 | D94 T98 | D94-R96 HydrophobicContact CB-CG 4.4Å; D94-R96 PolarHBondContact O-N 3.41Å; D94-R96 WeakPolarHBondContact OD2-CG 3.47Å; D94-R96 IonicContact OD2-CZ 2.76Å; D94-R96 IonicContact OD2-NE 3.11Å; D94-R96 PolarHBondContact OD2-NE 3.19Å; D94-R96 IonicContact OD2-NH2 3.3Å; D94-R96 PolarHBondContact OD2-NH2 2.97Å; R96-T98 PolarHBondContact O-N 3.32Å | ||
| 97 | E | 30.7 | Very low | 33.3 | Very low | 180 Ų | 180 | 144.2 Ų | 144.2 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | trans | -18.5 | 98 | 158.9 | -71.5 | 171.8 | 136.2 | 0 | 0 | 112.2 | E95 T99 | E95-E97 PolarHBondContact O-N 3.3Å; E97-T99 VanDerWaalsContact C-N 3.25Å; E97-T99 PolarHBondContact O-N 3.49Å | ||
| 98 | T | 31.9 | Very low | 33.5 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | trans | -71.3 | 93.8 | 155.9 | 32.2 | 0 | 0 | 0 | 0 | 106.4 | R96 I100 | R96-T98 PolarHBondContact O-N 3.32Å; T98-I100 PolarHBondContact O-N 3.14Å | ||
| 99 | T | 33.4 | Very low | 33.6 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | trans | -59.4 | 92.2 | 163.2 | -56.7 | 0 | 0 | 0 | 0 | 107.7 | E97 V101 | E97-T99 VanDerWaalsContact C-N 3.25Å; E97-T99 PolarHBondContact O-N 3.49Å; T99-V101 PolarHBondContact O-N 3.24Å; T99-V101 VanDerWaalsContact O-N 3.07Å | ||
| 100 | I | 35.6 | Very low | 34.1 | Very low | 125 Ų | 125 | 143 Ų | 143 | 64% | 0.641 | 77% | 0.766 | S | S | * | * | trans | -73.2 | 99.4 | 169.6 | -57.3 | 171.6 | 0 | 0 | 0 | 105.6 | T98 Y102 | T98-I100 PolarHBondContact O-N 3.14Å; I100-Y102 HydrophobicContact CG2-CD2 4.43Å; I100-Y102 HydrophobicContact CG2-CE2 4.49Å; I100-Y102 PolarHBondContact O-N 3.14Å | ||
| 101 | V | 35 | Very low | 34.6 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 70% | 0.703 | 76% | 0.76 | S | S | * | * | trans | -62.8 | 103.6 | 164.9 | 177.4 | 0 | 0 | 0 | 0 | 106.3 | T99 E103 | T99-V101 PolarHBondContact O-N 3.24Å; T99-V101 VanDerWaalsContact O-N 3.07Å; V101-E103 VanDerWaalsContact C-N 3.32Å; V101-E103 PolarHBondContact O-N 3.38Å | ||
| 102 | Y | 32.6 | Very low | 35 | Very low | 206 Ų | 206 | 146.6 Ų | 146.6 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | trans | -66.1 | 96.5 | 163.3 | -88.8 | -93.2 | 0 | 0 | 0 | 107.2 | I100 Q104 | I100-Y102 HydrophobicContact CG2-CD2 4.43Å; I100-Y102 HydrophobicContact CG2-CE2 4.49Å; I100-Y102 PolarHBondContact O-N 3.14Å; Y102-Q104 VanDerWaalsContact C-N 3.27Å; Y102-Q104 PolarHBondContact O-N 2.73Å | ||
| 103 | E | 36.5 | Very low | 35.6 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | trans | -62.4 | 101.6 | 153.1 | -96.2 | -165.2 | 154.5 | 0 | 0 | 106.3 | V101 P105 | V101-E103 VanDerWaalsContact C-N 3.32Å; V101-E103 PolarHBondContact O-N 3.38Å; E103-P105 WeakPolarHBondContact O-CD 3.21Å | ||
| 104 | Q | 32.5 | Very low | 36 | Very low | 172 Ų | 172 | 149 Ų | 149 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -65.9 | 111.8 | 172.2 | -172.8 | 166.3 | 4.1 | 0 | 0 | 107.2 | Y102 C106 | Y102-Q104 VanDerWaalsContact C-N 3.27Å; Y102-Q104 PolarHBondContact O-N 2.73Å; Q104-C106 PolarHBondContact O-N 3.34Å | ||
| 105 | P | 36.2 | Very low | 36.9 | Very low | 97 Ų | 97 | 148.9 Ų | 148.9 | 63% | 0.63 | 77% | 0.771 | S | S | * | * | trans | -65.6 | 114.8 | 173.3 | 27.1 | -30.6 | 0 | 0 | 0 | 106.6 | E103 I107 | E103-P105 WeakPolarHBondContact O-CD 3.21Å; P105-I107 HydrophobicContact CB-CG1 4.26Å; P105-I107 HydrophobicContact CG-CG1 4.42Å; P105-I107 PolarHBondContact O-N 3.3Å | ||
| 106 | C | 31.1 | Very low | 37.7 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | trans | -62.3 | 82.1 | 164 | -74.9 | 0 | 0 | 0 | 0 | 107.9 | Q104 Q108 | Q104-C106 PolarHBondContact O-N 3.34Å; C106-Q108 VanDerWaalsContact C-N 3.3Å; C106-Q108 PolarHBondContact O-N 2.92Å | ||
| 107 | I | 37 | Very low | 38.8 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | -72.1 | 96.4 | 168.4 | -59.2 | 176.8 | 0 | 0 | 0 | 105.4 | P105 S109 | P105-I107 HydrophobicContact CB-CG1 4.26Å; P105-I107 HydrophobicContact CG-CG1 4.42Å; P105-I107 PolarHBondContact O-N 3.3Å; I107-S109 PolarHBondContact O-N 2.95Å; I107-S109 VanDerWaalsContact O-N 3.15Å | ||
| 108 | Q | 35.3 | Very low | 40.2 | Very low | 170 Ų | 170 | 131.7 Ų | 131.7 | 79% | 0.794 | 73% | 0.726 | S | S | * | * | trans | -46.2 | 120.7 | 158.8 | -93.1 | 176.2 | -40.7 | 0 | 0 | 107.7 | C106 S110 | C106-Q108 VanDerWaalsContact C-N 3.3Å; C106-Q108 PolarHBondContact O-N 2.92Å; Q108-S110 PolarHBondContact O-N 2.83Å | ||
| 109 | S | 33.8 | Very low | 41.6 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 87% | 0.867 | 72% | 0.715 | S | S | * | * | trans | -55.9 | 81.9 | 165.2 | 154.2 | 0 | 0 | 0 | 0 | 108.8 | I107 | I107-S109 PolarHBondContact O-N 2.95Å; I107-S109 VanDerWaalsContact O-N 3.15Å | ||
| 110 | S | 41 | Very low | 42.9 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | trans | -84.2 | 136.4 | 164.7 | 57.9 | 0 | 0 | 0 | 0 | 108.4 | Q108 | Q108-S110 PolarHBondContact O-N 2.83Š| ||
| 111 | T | 39.4 | Very low | 44.4 | Very low | 131 Ų | 131 | 131.1 Ų | 131.1 | 80% | 0.804 | 70% | 0.704 | S | S | * | * | trans | -46.2 | 138.3 | -173.3 | -20.3 | 0 | 0 | 0 | 0 | 112.3 | S113 | T111-S113 VanDerWaalsContact C-N 3.31Å; T111-S113 PolarHBondContact O-N 3.29Å | ||
| 112 | Y | 37.4 | Very low | 45.9 | Very low | 222 Ų | 222 | 131.6 Ų | 131.6 | 87% | 0.871 | 70% | 0.698 | S | S | * | * | trans | -50.4 | 89.1 | 172.3 | -137.5 | -95.8 | 0 | 0 | 0 | 109.8 | ||||
| 113 | S | 46.7 | Very low | 47.6 | Very low | 100 Ų | 100 | 128 Ų | 128 | 70% | 0.699 | 69% | 0.687 | S | S | * | * | trans | -83.1 | 124 | 167.7 | -150.5 | 0 | 0 | 0 | 0 | 105.9 | T111 I115 | T111-S113 VanDerWaalsContact C-N 3.31Å; T111-S113 PolarHBondContact O-N 3.29Å; S113-I115 VanDerWaalsContact C-N 3.27Å; S113-I115 PolarHBondContact O-N 3.48Å | ||
| 114 | E | 43.6 | Very low | 49.4 | Very low | 188 Ų | 188 | 126.5 Ų | 126.5 | 88% | 0.879 | 68% | 0.675 | S | S | * | * | trans | -56.3 | 93.5 | 173.3 | -82.2 | 178.6 | 136.9 | 0 | 0 | 109.1 | S116 | E114-S116 PolarHBondContact O-N 3.42Å; E114-S116 VanDerWaalsContact O-N 3.15Å | ||
| 115 | I | 53 | Low | 51.4 | Low | 111 Ų | 111 | 124.3 Ų | 124.3 | 57% | 0.569 | 66% | 0.663 | S | S | * | * | trans | -64.4 | 115.3 | 167.3 | -65.5 | 169 | 0 | 0 | 0 | 105.3 | S113 A117 D119 R120 | S113-I115 VanDerWaalsContact C-N 3.27Å; S113-I115 PolarHBondContact O-N 3.48Å; I115-A117 PolarHBondContact O-N 3.48Å; I115-D119 HydrophobicContact CG2-CB 3.35Å; I115-R120 HydrophobicContact CG2-CG 4.48Å | ||
| 116 | S | 52.5 | Low | 53.5 | Low | 74 Ų | 74 | 125.2 Ų | 125.2 | 52% | 0.517 | 66% | 0.658 | S | S | . | * | trans | -45.3 | 138.8 | 176.3 | 175.8 | 0 | 0 | 0 | 0 | 109.9 | E114 S118 D119 R120 | E114-S116 PolarHBondContact O-N 3.42Å; E114-S116 VanDerWaalsContact O-N 3.15Å; S116-S118 PolarHBondContact O-N 3.07Å; S116-D119 PolarHBondContact O-N 2.95Å; S116-R120 PolarHBondContact O-N 3.27Å | ||
| 117 | A | 58.9 | Low | 55.9 | Low | 74 Ų | 74 | 122.7 Ų | 122.7 | 61% | 0.612 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -50.6 | -26.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112.7 | I115 I121 | I115-A117 PolarHBondContact O-N 3.48Å; A117-I121 WeakPolarHBondContact O-CD1 3.34Å; A117-I121 VanDerWaalsContact O-CG1 3.29Å; A117-I121 WeakPolarHBondContact O-CG1 3.45Å; A117-I121 PolarHBondContact O-N 3.03Å |
| 118 | S | 61.8 | Low | 58.2 | Low | 61 Ų | 61 | 123.2 Ų | 123.2 | 43% | 0.427 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -61.1 | -47.9 | 173.1 | -165.7 | 0 | 0 | 0 | 0 | 113.4 | S116 R120 I121 H122 | S116-S118 PolarHBondContact O-N 3.07Å; S118-R120 VanDerWaalsContact C-N 3.33Å; S118-R120 PolarHBondContact O-N 3.23Å; S118-I121 PolarHBondContact O-N 2.89Å; S118-H122 PolarHBondContact O-CD2 3.04Å; S118-H122 VanDerWaalsContact O-CD2 3.26Å; S118-H122 PolarHBondContact O-N 3.41Å |
| 119 | D | 60.1 | Low | 60.8 | Low | 97 Ų | 97 | 119.2 Ų | 119.2 | 52% | 0.519 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -69.9 | -32.9 | -177.3 | -76.9 | -15.3 | 0 | 0 | 0 | 111.7 | I115 S116 H122 F123 | I115-D119 HydrophobicContact CG2-CB 3.35Å; S116-D119 PolarHBondContact O-N 2.95Å; D119-H122 PolarHBondContact O-N 2.88Å; D119-F123 WeakPolarHBondContact O-CB 3.4Å; D119-F123 PolarHBondContact O-N 3.41Å |
| 120 | R | 60.4 | Low | 63.4 | Low | 141 Ų | 141 | 117 Ų | 117 | 53% | 0.532 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62 | -45.1 | 170.9 | -98.8 | -178.4 | 148.5 | -166.3 | -4.9 | 111.9 | I115 S116 S118 H122 F123 Y124 | I115-R120 HydrophobicContact CG2-CG 4.48Å; S116-R120 PolarHBondContact O-N 3.27Å; S118-R120 VanDerWaalsContact C-N 3.33Å; S118-R120 PolarHBondContact O-N 3.23Å; R120-H122 VanDerWaalsContact C-N 3.35Å; R120-F123 PolarHBondContact O-N 2.93Å; R120-Y124 HydrophobicContact CB-CE2 4.37Å; R120-Y124 HydrophobicContact CG-CE2 4.49Å; R120-Y124 WeakPolarHBondContact O-CD2 3.5Å; R120-Y124 PolarHBondContact O-N 2.72Å |
| 121 | I | 67.7 | Low | 65.7 | Low | 118 Ų | 118 | 113.8 Ų | 113.8 | 61% | 0.605 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.3 | -41.9 | 178.5 | -66.1 | 162.9 | 0 | 0 | 0 | 110.6 | A117 S118 F123 Y124 F125 | A117-I121 WeakPolarHBondContact O-CD1 3.34Å; A117-I121 VanDerWaalsContact O-CG1 3.29Å; A117-I121 WeakPolarHBondContact O-CG1 3.45Å; A117-I121 PolarHBondContact O-N 3.03Å; S118-I121 PolarHBondContact O-N 2.89Å; I121-F123 VanDerWaalsContact C-N 3.34Å; I121-F123 PolarHBondContact O-N 3.5Å; I121-Y124 PolarHBondContact O-N 3.37Å; I121-F125 WeakPolarHBondContact O-CB 3.31Å; I121-F125 PolarHBondContact O-N 3.24Å |
| 122 | H | 66.3 | Low | 68.2 | Low | 126 Ų | 126 | 109.1 Ų | 109.1 | 58% | 0.583 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.4 | -40.8 | 174.8 | -84.4 | -74.9 | 0 | 0 | 0 | 112.5 | S118 D119 R120 F125 H126 | S118-H122 PolarHBondContact O-CD2 3.04Å; S118-H122 VanDerWaalsContact O-CD2 3.26Å; S118-H122 PolarHBondContact O-N 3.41Å; D119-H122 PolarHBondContact O-N 2.88Å; R120-H122 VanDerWaalsContact C-N 3.35Å; H122-F125 PolarHBondContact O-N 3.27Å; H122-H126 WeakPolarHBondContact O-CB 3.44Å; H122-H126 PolarHBondContact O-N 3.46Å |
| 123 | F | 68.2 | Low | 70.8 | Confident | 130 Ų | 130 | 103.8 Ų | 103.8 | 57% | 0.57 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.1 | -47.8 | 176.9 | -165.4 | -91.5 | 0 | 0 | 0 | 111.9 | D119 R120 I121 F125 H126 D127 | D119-F123 WeakPolarHBondContact O-CB 3.4Å; D119-F123 PolarHBondContact O-N 3.41Å; R120-F123 PolarHBondContact O-N 2.93Å; I121-F123 VanDerWaalsContact C-N 3.34Å; I121-F123 PolarHBondContact O-N 3.5Å; F123-F125 VanDerWaalsContact C-N 3.32Å; F123-F125 PolarHBondContact O-N 3.46Å; F123-H126 PolarHBondContact O-N 2.93Å; F123-D127 WeakPolarHBondContact CD1-OD2 3.35Å; F123-D127 WeakPolarHBondContact CE1-OD2 3.45Å; F123-D127 PolarHBondContact O-N 3.36Å |
| 124 | Y | 73.6 | Confident | 73 | Confident | 145 Ų | 145 | 103.9 Ų | 103.9 | 57% | 0.569 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63 | -37.1 | 175.9 | -72.3 | -62.2 | 0 | 0 | 0 | 112.8 | R120 I121 F128 | R120-Y124 HydrophobicContact CB-CE2 4.37Å; R120-Y124 HydrophobicContact CG-CE2 4.49Å; R120-Y124 WeakPolarHBondContact O-CD2 3.5Å; R120-Y124 PolarHBondContact O-N 2.72Å; I121-Y124 PolarHBondContact O-N 3.37Å; Y124-F128 WeakPolarHBondContact O-CB 3.4Å; Y124-F128 PolarHBondContact O-N 3.49Å |
| 125 | F | 75.5 | Confident | 75.3 | Confident | 127 Ų | 127 | 101.3 Ų | 101.3 | 56% | 0.557 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.6 | -39.6 | 176.5 | -167.6 | -101.9 | 0 | 0 | 0 | 111.6 | I121 H122 F123 F128 L129 | I121-F125 WeakPolarHBondContact O-CB 3.31Å; I121-F125 PolarHBondContact O-N 3.24Å; H122-F125 PolarHBondContact O-N 3.27Å; F123-F125 VanDerWaalsContact C-N 3.32Å; F123-F125 PolarHBondContact O-N 3.46Å; F125-F128 PolarHBondContact O-N 2.91Å; F125-L129 HydrophobicContact CD1-CD1 3.65Å; F125-L129 HydrophobicContact CD1-CG 4.21Å; F125-L129 HydrophobicContact CE1-CD1 3.33Å; F125-L129 HydrophobicContact CE1-CG 3.99Å; F125-L129 HydrophobicContact CZ-CD1 4.08Å; F125-L129 HydrophobicContact CZ-CG 4.34Å; F125-L129 WeakPolarHBondContact O-CB 3.49Å; F125-L129 WeakPolarHBondContact O-CG 3.48Å; F125-L129 PolarHBondContact O-N 3.29Å |
| 126 | H | 79.8 | Confident | 77.2 | Confident | 115 Ų | 115 | 99.6 Ų | 99.6 | 53% | 0.532 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.9 | -47.5 | 174.6 | -177.8 | -85 | 0 | 0 | 0 | 111.7 | H122 F123 F128 L129 L130 | H122-H126 WeakPolarHBondContact O-CB 3.44Å; H122-H126 PolarHBondContact O-N 3.46Å; F123-H126 PolarHBondContact O-N 2.93Å; H126-F128 VanDerWaalsContact C-N 3.33Å; H126-F128 PolarHBondContact O-N 3.34Å; H126-L129 PolarHBondContact O-N 3.45Å; H126-L130 VanDerWaalsContact O-CB 3.28Å; H126-L130 WeakPolarHBondContact O-CB 3.49Å; H126-L130 PolarHBondContact O-N 2.97Å |
| 127 | D | 82.4 | Confident | 79.2 | Confident | 72 Ų | 72 | 102.5 Ų | 102.5 | 39% | 0.385 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.9 | -36.9 | 177.4 | -74.9 | -7.9 | 0 | 0 | 0 | 112.2 | F123 G131 | F123-D127 WeakPolarHBondContact CD1-OD2 3.35Å; F123-D127 WeakPolarHBondContact CE1-OD2 3.45Å; F123-D127 PolarHBondContact O-N 3.36Å; D127-G131 PolarHBondContact O-N 2.98Å |
| 128 | F | 85.7 | Confident | 80.9 | Confident | 158 Ų | 158 | 105 Ų | 105 | 69% | 0.693 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.3 | -45.4 | 174.4 | -178.8 | -96.7 | 0 | 0 | 0 | 111.8 | Y124 F125 H126 G132 | Y124-F128 WeakPolarHBondContact O-CB 3.4Å; Y124-F128 PolarHBondContact O-N 3.49Å; F125-F128 PolarHBondContact O-N 2.91Å; H126-F128 VanDerWaalsContact C-N 3.33Å; H126-F128 PolarHBondContact O-N 3.34Å; F128-G132 PolarHBondContact O-N 2.95Å |
| 129 | L | 88.2 | Confident | 82.4 | Confident | 85 Ų | 85 | 105.4 Ų | 105.4 | 45% | 0.445 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.7 | -45.4 | 175.4 | -77.8 | 177.2 | 0 | 0 | 0 | 111.6 | F125 H126 G132 I133 | F125-L129 HydrophobicContact CD1-CD1 3.65Å; F125-L129 HydrophobicContact CD1-CG 4.21Å; F125-L129 HydrophobicContact CE1-CD1 3.33Å; F125-L129 HydrophobicContact CE1-CG 3.99Å; F125-L129 HydrophobicContact CZ-CD1 4.08Å; F125-L129 HydrophobicContact CZ-CG 4.34Å; F125-L129 WeakPolarHBondContact O-CB 3.49Å; F125-L129 WeakPolarHBondContact O-CG 3.48Å; F125-L129 PolarHBondContact O-N 3.29Å; H126-L129 PolarHBondContact O-N 3.45Å; L129-G132 PolarHBondContact O-N 3.4Å; L129-I133 VanDerWaalsContact O-CG1 3.27Å; L129-I133 WeakPolarHBondContact O-CG1 3.38Å; L129-I133 PolarHBondContact O-N 2.94Å |
| 130 | L | 89.4 | Confident | 84 | Confident | 78 Ų | 78 | 102.6 Ų | 102.6 | 41% | 0.408 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 178.5 | -173.7 | 63 | 0 | 0 | 0 | 111.1 | H126 G132 I133 I134 | H126-L130 VanDerWaalsContact O-CB 3.28Å; H126-L130 WeakPolarHBondContact O-CB 3.49Å; H126-L130 PolarHBondContact O-N 2.97Å; L130-G132 VanDerWaalsContact C-N 3.33Å; L130-G132 PolarHBondContact O-N 2.94Å; L130-I133 PolarHBondContact O-N 3.26Å; L130-I134 HydrophobicContact CD1-CD1 4.36Å; L130-I134 HydrophobicContact CG-CD1 4Å; L130-I134 VanDerWaalsContact O-CG1 3.27Å; L130-I134 WeakPolarHBondContact O-CG1 3.4Å; L130-I134 PolarHBondContact O-N 3.12Å |
| 131 | G | 89.6 | Confident | 85.5 | Confident | 37 Ų | 37 | 102.2 Ų | 102.2 | 38% | 0.381 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D127 I134 F135 | D127-G131 PolarHBondContact O-N 2.98Å; G131-I134 PolarHBondContact O-N 3.36Å; G131-F135 WeakPolarHBondContact O-CB 3.33Å; G131-F135 PolarHBondContact O-N 2.72Å |
| 132 | G | 91.3 | Very high | 86.7 | Confident | 33 Ų | 33 | 101.8 Ų | 101.8 | 34% | 0.34 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | F128 L129 L130 S136 | F128-G132 PolarHBondContact O-N 2.95Å; L129-G132 PolarHBondContact O-N 3.4Å; L130-G132 VanDerWaalsContact C-N 3.33Å; L130-G132 PolarHBondContact O-N 2.94Å; G132-S136 VanDerWaalsContact O-CB 3.32Å; G132-S136 WeakPolarHBondContact O-CB 3.31Å; G132-S136 PolarHBondContact O-N 3.38Å; G132-S136 PolarHBondContact O-OG 3.46Å |
| 133 | I | 92 | Very high | 87.9 | Confident | 109 Ų | 109 | 100.3 Ų | 100.3 | 56% | 0.559 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.2 | -49.1 | 175.1 | -67.9 | 163.6 | 0 | 0 | 0 | 110.2 | L129 L130 F135 S136 L137 | L129-I133 VanDerWaalsContact O-CG1 3.27Å; L129-I133 WeakPolarHBondContact O-CG1 3.38Å; L129-I133 PolarHBondContact O-N 2.94Å; L130-I133 PolarHBondContact O-N 3.26Å; I133-F135 VanDerWaalsContact C-N 3.35Å; I133-F135 PolarHBondContact O-N 2.99Å; I133-S136 PolarHBondContact O-N 3.13Å; I133-L137 WeakPolarHBondContact O-CB 3.37Å; I133-L137 PolarHBondContact O-N 3.32Å |
| 134 | I | 92.8 | Very high | 88.9 | Confident | 102 Ų | 102 | 102.2 Ų | 102.2 | 52% | 0.523 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 178.7 | -67.2 | 167.5 | 0 | 0 | 0 | 110.4 | L130 G131 S136 L137 L138 | L130-I134 HydrophobicContact CD1-CD1 4.36Å; L130-I134 HydrophobicContact CG-CD1 4Å; L130-I134 VanDerWaalsContact O-CG1 3.27Å; L130-I134 WeakPolarHBondContact O-CG1 3.4Å; L130-I134 PolarHBondContact O-N 3.12Å; G131-I134 PolarHBondContact O-N 3.36Å; I134-S136 PolarHBondContact O-N 3.34Å; I134-L137 PolarHBondContact O-N 2.86Å; I134-L138 WeakPolarHBondContact O-CB 3.4Å; I134-L138 PolarHBondContact O-N 3.07Å |
| 135 | F | 92.9 | Very high | 89.7 | Confident | 134 Ų | 134 | 97.9 Ų | 97.9 | 59% | 0.588 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.1 | -44.2 | 176.9 | 179.9 | -98.4 | 0 | 0 | 0 | 111.9 | G131 I133 L137 L138 L139 | G131-F135 WeakPolarHBondContact O-CB 3.33Å; G131-F135 PolarHBondContact O-N 2.72Å; I133-F135 VanDerWaalsContact C-N 3.35Å; I133-F135 PolarHBondContact O-N 2.99Å; F135-L137 VanDerWaalsContact C-N 3.33Å; F135-L137 PolarHBondContact O-N 3.28Å; F135-L138 PolarHBondContact O-N 3.22Å; F135-L139 HydrophobicContact CE1-CD2 4.22Å; F135-L139 WeakPolarHBondContact O-CB 3.48Å; F135-L139 PolarHBondContact O-N 3.46Å |
| 136 | S | 92.5 | Very high | 90.4 | Very high | 76 Ų | 76 | 96 Ų | 96 | 53% | 0.531 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 177.1 | -58.6 | 0 | 0 | 0 | 0 | 112 | G132 I133 I134 G140 | G132-S136 VanDerWaalsContact O-CB 3.32Å; G132-S136 WeakPolarHBondContact O-CB 3.31Å; G132-S136 PolarHBondContact O-N 3.38Å; G132-S136 PolarHBondContact O-OG 3.46Å; I133-S136 PolarHBondContact O-N 3.13Å; I134-S136 PolarHBondContact O-N 3.34Å; S136-G140 PolarHBondContact O-N 2.87Å |
| 137 | L | 94.3 | Very high | 91 | Very high | 134 Ų | 134 | 95.1 Ų | 95.1 | 70% | 0.702 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.8 | -44.1 | 176.4 | -156.3 | 100.5 | 0 | 0 | 0 | 111.3 | I133 I134 F135 G140 H141 | I133-L137 WeakPolarHBondContact O-CB 3.37Å; I133-L137 PolarHBondContact O-N 3.32Å; I134-L137 PolarHBondContact O-N 2.86Å; F135-L137 VanDerWaalsContact C-N 3.33Å; F135-L137 PolarHBondContact O-N 3.28Å; L137-G140 PolarHBondContact O-N 3.38Å; L137-H141 WeakPolarHBondContact O-CB 3.42Å; L137-H141 PolarHBondContact O-N 3.21Å |
| 138 | L | 94.1 | Very high | 91.3 | Very high | 126 Ų | 126 | 94 Ų | 94 | 66% | 0.66 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.9 | -44.2 | 178.4 | -158.3 | 82.8 | 0 | 0 | 0 | 111.3 | I134 F135 H141 M142 | I134-L138 WeakPolarHBondContact O-CB 3.4Å; I134-L138 PolarHBondContact O-N 3.07Å; F135-L138 PolarHBondContact O-N 3.22Å; L138-H141 PolarHBondContact O-N 2.72Å; L138-M142 WeakPolarHBondContact O-CB 3.24Å; L138-M142 PolarHBondContact O-N 2.92Å |
| 139 | L | 93.8 | Very high | 91.6 | Very high | 71 Ų | 71 | 93.4 Ų | 93.4 | 37% | 0.372 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 176.2 | -171.1 | 65.2 | 0 | 0 | 0 | 111.1 | F135 H141 M142 L143 | F135-L139 HydrophobicContact CE1-CD2 4.22Å; F135-L139 WeakPolarHBondContact O-CB 3.48Å; F135-L139 PolarHBondContact O-N 3.46Å; L139-H141 PolarHBondContact O-N 3.33Å; L139-M142 HydrophobicContact CD1-CE 4.02Å; L139-M142 PolarHBondContact O-N 3.22Å; L139-L143 HydrophobicContact CG-CD1 4.25Å; L139-L143 WeakPolarHBondContact O-CB 3.34Å; L139-L143 WeakPolarHBondContact O-CG 3.48Å; L139-L143 PolarHBondContact O-N 2.95Å |
| 140 | G | 92.8 | Very high | 91.8 | Very high | 37 Ų | 37 | 94.5 Ų | 94.5 | 38% | 0.381 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S136 L137 Y144 | S136-G140 PolarHBondContact O-N 2.87Å; L137-G140 PolarHBondContact O-N 3.38Å; G140-Y144 WeakPolarHBondContact O-CB 3.44Å; G140-Y144 PolarHBondContact O-N 2.89Å |
| 141 | H | 92.9 | Very high | 91.9 | Very high | 134 Ų | 134 | 95.4 Ų | 95.4 | 62% | 0.62 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.8 | -37.1 | 177 | -162.2 | -83.5 | 0 | 0 | 0 | 112.1 | L137 L138 L139 S145 | L137-H141 WeakPolarHBondContact O-CB 3.42Å; L137-H141 PolarHBondContact O-N 3.21Å; L138-H141 PolarHBondContact O-N 2.72Å; L139-H141 PolarHBondContact O-N 3.33Å; H141-S145 VanDerWaalsContact O-CB 3.28Å; H141-S145 WeakPolarHBondContact O-CB 3.44Å; H141-S145 PolarHBondContact O-N 3.38Å; H141-S145 PolarHBondContact O-OG 2.87Å |
| 142 | M | 92.3 | Very high | 92.1 | Very high | 109 Ų | 109 | 101.8 Ų | 101.8 | 54% | 0.537 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.2 | -46.3 | 175.4 | -166.1 | -137.7 | -59.1 | 0 | 0 | 111.7 | L138 L139 S145 E146 | L138-M142 WeakPolarHBondContact O-CB 3.24Å; L138-M142 PolarHBondContact O-N 2.92Å; L139-M142 HydrophobicContact CD1-CE 4.02Å; L139-M142 PolarHBondContact O-N 3.22Å; M142-S145 PolarHBondContact O-N 2.94Å; M142-S145 PolarHBondContact O-OG 3.5Å; M142-E146 WeakPolarHBondContact O-CB 3.43Å; M142-E146 PolarHBondContact O-N 3.35Å |
| 143 | L | 91.8 | Very high | 92.2 | Very high | 95 Ų | 95 | 104 Ų | 104 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.1 | -39.4 | 176.9 | -68.9 | 173.8 | 0 | 0 | 0 | 111.6 | L139 Q147 | L139-L143 HydrophobicContact CG-CD1 4.25Å; L139-L143 WeakPolarHBondContact O-CB 3.34Å; L139-L143 WeakPolarHBondContact O-CG 3.48Å; L139-L143 PolarHBondContact O-N 2.95Å; L143-Q147 WeakPolarHBondContact O-CB 3.46Å; L143-Q147 PolarHBondContact O-N 2.95Å |
| 144 | Y | 90.1 | Very high | 92.3 | Very high | 169 Ų | 169 | 101 Ų | 101 | 66% | 0.663 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.6 | -42.2 | 176.2 | -177.5 | -98.6 | 0 | 0 | 0 | 112.1 | G140 Q147 C148 | G140-Y144 WeakPolarHBondContact O-CB 3.44Å; G140-Y144 PolarHBondContact O-N 2.89Å; Y144-Q147 PolarHBondContact O-N 3.41Å; Y144-C148 WeakPolarHBondContact O-CB 3.48Å; Y144-C148 PolarHBondContact O-N 3.02Å |
| 145 | S | 89.2 | Confident | 92.3 | Very high | 55 Ų | 55 | 99 Ų | 99 | 39% | 0.385 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.2 | -39.2 | 177.7 | 69.4 | 0 | 0 | 0 | 0 | 111.6 | H141 M142 C148 Y149 | H141-S145 VanDerWaalsContact O-CB 3.28Å; H141-S145 WeakPolarHBondContact O-CB 3.44Å; H141-S145 PolarHBondContact O-N 3.38Å; H141-S145 PolarHBondContact O-OG 2.87Å; M142-S145 PolarHBondContact O-N 2.94Å; M142-S145 PolarHBondContact O-OG 3.5Å; S145-C148 PolarHBondContact O-N 3.28Å; S145-Y149 WeakPolarHBondContact O-CB 3.45Å; S145-Y149 PolarHBondContact O-N 3.32Å |
| 146 | E | 91.2 | Very high | 92.4 | Very high | 86 Ų | 86 | 96 Ų | 96 | 40% | 0.402 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.5 | -47.4 | 173.5 | -170.1 | -173.2 | 168 | 0 | 0 | 111.2 | M142 Y149 K150 | M142-E146 WeakPolarHBondContact O-CB 3.43Å; M142-E146 PolarHBondContact O-N 3.35Å; E146-Y149 PolarHBondContact O-N 3.44Å; E146-K150 HydrophobicContact CG-CD 4.45Å; E146-K150 WeakPolarHBondContact O-CG 3.45Å; E146-K150 PolarHBondContact O-N 3.35Å; E146-K150 WeakPolarHBondContact OE1-CE 3.35Å; E146-K150 IonicContact OE1-NZ 3.93Å; E146-K150 PolarHBondContact OE1-NZ 3.46Å |
| 147 | Q | 90.8 | Very high | 92.6 | Very high | 97 Ų | 97 | 97.4 Ų | 97.4 | 45% | 0.453 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.7 | -40.5 | 178 | -171.6 | 62 | 34.9 | 0 | 0 | 112.1 | L143 Y144 Y149 K150 N151 | L143-Q147 WeakPolarHBondContact O-CB 3.46Å; L143-Q147 PolarHBondContact O-N 2.95Å; Y144-Q147 PolarHBondContact O-N 3.41Å; Q147-Y149 VanDerWaalsContact C-N 3.35Å; Q147-K150 PolarHBondContact O-N 2.89Å; Q147-N151 PolarHBondContact NE2-OD1 2.86Å; Q147-N151 WeakPolarHBondContact O-CB 3.39Å; Q147-N151 VanDerWaalsContact O-CG 3.27Å; Q147-N151 PolarHBondContact O-N 2.67Å |
| 148 | C | 89.8 | Confident | 92.7 | Very high | 50 Ų | 50 | 96.8 Ų | 96.8 | 34% | 0.338 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 175.4 | -175.6 | 0 | 0 | 0 | 0 | 111.1 | Y144 S145 N151 R152 | Y144-C148 WeakPolarHBondContact O-CB 3.48Å; Y144-C148 PolarHBondContact O-N 3.02Å; S145-C148 PolarHBondContact O-N 3.28Å; C148-N151 PolarHBondContact O-N 3.05Å; C148-R152 WeakPolarHBondContact O-CB 3.37Å; C148-R152 WeakPolarHBondContact O-CG 3.48Å; C148-R152 PolarHBondContact O-N 3.13Å |
| 149 | Y | 91.1 | Very high | 92.8 | Very high | 144 Ų | 144 | 96.8 Ų | 96.8 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64 | -44.8 | 176.1 | -171.2 | -92.6 | 0 | 0 | 0 | 111.9 | S145 E146 Q147 N151 R152 M153 | S145-Y149 WeakPolarHBondContact O-CB 3.45Å; S145-Y149 PolarHBondContact O-N 3.32Å; E146-Y149 PolarHBondContact O-N 3.44Å; Q147-Y149 VanDerWaalsContact C-N 3.35Å; Y149-N151 PolarHBondContact O-N 2.91Å; Y149-R152 PolarHBondContact O-N 3.03Å; Y149-M153 HydrophobicContact CD1-CG 4.01Å; Y149-M153 HydrophobicContact CE1-CE 3.94Å; Y149-M153 HydrophobicContact CE1-CG 3.71Å; Y149-M153 HydrophobicContact CE2-CE 3.78Å; Y149-M153 WeakPolarHBondContact O-CG 3.43Å; Y149-M153 PolarHBondContact O-N 3Å; Y149-M153 VanDerWaalsContact OH-CE 3.27Å; Y149-M153 WeakPolarHBondContact OH-CE 3.17Å |
| 150 | K | 92.9 | Very high | 92.9 | Very high | 108 Ų | 108 | 100 Ų | 100 | 47% | 0.47 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.8 | -46.4 | 175.2 | -75.3 | 176.2 | -176.6 | 168.5 | 0 | 112.2 | E146 Q147 R152 M153 A154 | E146-K150 HydrophobicContact CG-CD 4.45Å; E146-K150 WeakPolarHBondContact O-CG 3.45Å; E146-K150 PolarHBondContact O-N 3.35Å; E146-K150 WeakPolarHBondContact OE1-CE 3.35Å; E146-K150 IonicContact OE1-NZ 3.93Å; E146-K150 PolarHBondContact OE1-NZ 3.46Å; Q147-K150 PolarHBondContact O-N 2.89Å; K150-R152 PolarHBondContact O-N 3.04Å; K150-M153 PolarHBondContact O-N 2.94Å; K150-A154 WeakPolarHBondContact O-CB 3.43Å; K150-A154 PolarHBondContact O-N 3.46Å |
| 151 | N | 92.4 | Very high | 93.1 | Very high | 97 Ų | 97 | 101.7 Ų | 101.7 | 52% | 0.519 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 178.4 | -71.7 | -7.3 | 0 | 0 | 0 | 111.9 | Q147 C148 Y149 A154 S155 | Q147-N151 PolarHBondContact NE2-OD1 2.86Å; Q147-N151 WeakPolarHBondContact O-CB 3.39Å; Q147-N151 VanDerWaalsContact O-CG 3.27Å; Q147-N151 PolarHBondContact O-N 2.67Å; C148-N151 PolarHBondContact O-N 3.05Å; Y149-N151 PolarHBondContact O-N 2.91Å; N151-A154 PolarHBondContact O-N 3.27Å; N151-S155 PolarHBondContact O-N 3.46Å |
| 152 | R | 92.8 | Very high | 93.3 | Very high | 172 Ų | 172 | 102 Ų | 102 | 65% | 0.649 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.6 | -44 | 175.5 | -75 | 178.7 | 65.9 | -172.8 | -0.3 | 111.8 | C148 Y149 K150 S155 C156 | C148-R152 WeakPolarHBondContact O-CB 3.37Å; C148-R152 WeakPolarHBondContact O-CG 3.48Å; C148-R152 PolarHBondContact O-N 3.13Å; Y149-R152 PolarHBondContact O-N 3.03Å; K150-R152 PolarHBondContact O-N 3.04Å; R152-S155 PolarHBondContact O-N 3.33Å; R152-C156 PolarHBondContact O-N 2.95Å; R152-C156 PolarHBondContact O-SG 3.32Å; R152-C156 VanDerWaalsContact O-SG 3.4Å |
| 153 | M | 92.8 | Very high | 93.5 | Very high | 80 Ų | 80 | 101.8 Ų | 101.8 | 39% | 0.394 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 177.3 | -74.8 | -58.9 | 165.4 | 0 | 0 | 112.1 | Y149 K150 S155 C156 E157 | Y149-M153 HydrophobicContact CD1-CG 4.01Å; Y149-M153 HydrophobicContact CE1-CE 3.94Å; Y149-M153 HydrophobicContact CE1-CG 3.71Å; Y149-M153 HydrophobicContact CE2-CE 3.78Å; Y149-M153 WeakPolarHBondContact O-CG 3.43Å; Y149-M153 PolarHBondContact O-N 3Å; Y149-M153 VanDerWaalsContact OH-CE 3.27Å; Y149-M153 WeakPolarHBondContact OH-CE 3.17Å; K150-M153 PolarHBondContact O-N 2.94Å; M153-S155 VanDerWaalsContact C-N 3.31Å; M153-S155 PolarHBondContact O-N 3.49Å; M153-C156 PolarHBondContact O-N 3.49Å; M153-E157 WeakPolarHBondContact O-CG 3.46Å; M153-E157 PolarHBondContact O-N 2.94Å |
| 154 | A | 94.2 | Very high | 93.7 | Very high | 45 Ų | 45 | 102.5 Ų | 102.5 | 37% | 0.372 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.7 | -40.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | K150 N151 E157 I158 | K150-A154 WeakPolarHBondContact O-CB 3.43Å; K150-A154 PolarHBondContact O-N 3.46Å; N151-A154 PolarHBondContact O-N 3.27Å; A154-E157 PolarHBondContact O-N 2.97Å; A154-I158 VanDerWaalsContact O-CG1 3.28Å; A154-I158 WeakPolarHBondContact O-CG1 3.38Å; A154-I158 PolarHBondContact O-N 2.95Å |
| 155 | S | 94.3 | Very high | 94 | Very high | 61 Ų | 61 | 98.6 Ų | 98.6 | 43% | 0.427 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 174.9 | -165.8 | 0 | 0 | 0 | 0 | 111.9 | N151 R152 M153 E157 I158 E159 | N151-S155 PolarHBondContact O-N 3.46Å; R152-S155 PolarHBondContact O-N 3.33Å; M153-S155 VanDerWaalsContact C-N 3.31Å; M153-S155 PolarHBondContact O-N 3.49Å; S155-E157 VanDerWaalsContact C-N 3.35Å; S155-E157 PolarHBondContact O-N 3.09Å; S155-I158 PolarHBondContact O-N 2.99Å; S155-E159 WeakPolarHBondContact O-CG 3.36Å; S155-E159 PolarHBondContact O-N 3.17Å |
| 156 | C | 94.8 | Very high | 94.4 | Very high | 70 Ų | 70 | 99.7 Ų | 99.7 | 47% | 0.473 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.6 | -36.6 | 176.8 | -71.3 | 0 | 0 | 0 | 0 | 112.6 | R152 M153 E159 R160 | R152-C156 PolarHBondContact O-N 2.95Å; R152-C156 PolarHBondContact O-SG 3.32Å; R152-C156 VanDerWaalsContact O-SG 3.4Å; M153-C156 PolarHBondContact O-N 3.49Å; C156-E159 PolarHBondContact O-N 3.28Å; C156-R160 VanDerWaalsContact O-CB 3.29Å; C156-R160 WeakPolarHBondContact O-CB 3.5Å; C156-R160 PolarHBondContact O-N 3.47Å |
| 157 | E | 95.9 | Very high | 94.7 | Very high | 106 Ų | 106 | 100.3 Ų | 100.3 | 50% | 0.495 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65 | -43.5 | 175.4 | -75.3 | 178.7 | 166.2 | 0 | 0 | 111.7 | M153 A154 S155 E159 R160 D161 | M153-E157 WeakPolarHBondContact O-CG 3.46Å; M153-E157 PolarHBondContact O-N 2.94Å; A154-E157 PolarHBondContact O-N 2.97Å; S155-E157 VanDerWaalsContact C-N 3.35Å; S155-E157 PolarHBondContact O-N 3.09Å; E157-E159 PolarHBondContact O-N 2.98Å; E157-R160 WeakPolarHBondContact O-CB 3.26Å; E157-R160 PolarHBondContact O-N 3.21Å; E157-D161 WeakPolarHBondContact O-CB 3.42Å; E157-D161 PolarHBondContact O-N 3.48Å |
| 158 | I | 95.9 | Very high | 95 | Very high | 121 Ų | 121 | 98.8 Ų | 98.8 | 62% | 0.621 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.8 | -44.8 | 175.3 | -67.5 | 164.7 | 0 | 0 | 0 | 110.8 | A154 S155 D161 K162 | A154-I158 VanDerWaalsContact O-CG1 3.28Å; A154-I158 WeakPolarHBondContact O-CG1 3.38Å; A154-I158 PolarHBondContact O-N 2.95Å; S155-I158 PolarHBondContact O-N 2.99Å; I158-D161 PolarHBondContact O-N 3.39Å; I158-K162 WeakPolarHBondContact O-CB 3.49Å; I158-K162 PolarHBondContact O-N 2.94Å |
| 159 | E | 96.4 | Very high | 95.3 | Very high | 125 Ų | 125 | 102.6 Ų | 102.6 | 58% | 0.584 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.4 | -42.1 | 177 | -75.9 | -179.6 | 179.6 | 0 | 0 | 112.1 | S155 C156 E157 K162 L163 | S155-E159 WeakPolarHBondContact O-CG 3.36Å; S155-E159 PolarHBondContact O-N 3.17Å; C156-E159 PolarHBondContact O-N 3.28Å; E157-E159 PolarHBondContact O-N 2.98Å; E159-K162 PolarHBondContact O-N 3.36Å; E159-L163 WeakPolarHBondContact O-CB 3.44Å; E159-L163 PolarHBondContact O-N 3.12Å |
| 160 | R | 96.5 | Very high | 95.6 | Very high | 138 Ų | 138 | 100.2 Ų | 100.2 | 52% | 0.521 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.8 | -46.6 | 174.5 | -179.1 | -154.4 | 65.6 | -162.8 | -7.5 | 111 | C156 E157 K162 L163 L164 | C156-R160 VanDerWaalsContact O-CB 3.29Å; C156-R160 WeakPolarHBondContact O-CB 3.5Å; C156-R160 PolarHBondContact O-N 3.47Å; E157-R160 WeakPolarHBondContact O-CB 3.26Å; E157-R160 PolarHBondContact O-N 3.21Å; R160-K162 VanDerWaalsContact C-N 3.34Å; R160-K162 PolarHBondContact O-N 3.46Å; R160-L163 PolarHBondContact O-N 2.9Å; R160-L164 WeakPolarHBondContact O-CB 3.36Å; R160-L164 PolarHBondContact O-N 3.15Å |
| 161 | D | 96.4 | Very high | 95.8 | Very high | 73 Ų | 73 | 98.7 Ų | 98.7 | 39% | 0.39 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67 | -37.8 | -178.1 | -69 | -9.5 | 0 | 0 | 0 | 111.5 | E157 I158 L164 T165 | E157-D161 WeakPolarHBondContact O-CB 3.42Å; E157-D161 PolarHBondContact O-N 3.48Å; I158-D161 PolarHBondContact O-N 3.39Å; D161-L164 PolarHBondContact O-N 3.45Å; D161-T165 WeakPolarHBondContact O-CB 3.28Å; D161-T165 PolarHBondContact O-N 3.03Å; D161-T165 PolarHBondContact O-OG1 3.23Å |
| 162 | K | 97.1 | Very high | 96 | Very high | 142 Ų | 142 | 97.6 Ų | 97.6 | 62% | 0.617 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.9 | -45.2 | 171.8 | -174.3 | 178.7 | -179.4 | -179 | 0 | 111.5 | I158 E159 R160 T165 N166 | I158-K162 WeakPolarHBondContact O-CB 3.49Å; I158-K162 PolarHBondContact O-N 2.94Å; E159-K162 PolarHBondContact O-N 3.36Å; R160-K162 VanDerWaalsContact C-N 3.34Å; R160-K162 PolarHBondContact O-N 3.46Å; K162-T165 PolarHBondContact O-N 3.03Å; K162-N166 PolarHBondContact O-N 3.36Å |
| 163 | L | 97.3 | Very high | 96.2 | Very high | 104 Ų | 104 | 92.6 Ų | 92.6 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 178 | -178.2 | 61 | 0 | 0 | 0 | 111.3 | E159 R160 T165 N166 I167 | E159-L163 WeakPolarHBondContact O-CB 3.44Å; E159-L163 PolarHBondContact O-N 3.12Å; R160-L163 PolarHBondContact O-N 2.9Å; L163-T165 VanDerWaalsContact C-N 3.32Å; L163-T165 PolarHBondContact O-N 3.26Å; L163-N166 PolarHBondContact O-N 3.13Å; L163-I167 HydrophobicContact CD1-CD1 4.2Å; L163-I167 HydrophobicContact CD1-CG1 4.35Å; L163-I167 HydrophobicContact CG-CD1 3.89Å; L163-I167 HydrophobicContact CG-CG1 4.46Å; L163-I167 VanDerWaalsContact O-CG1 3.29Å; L163-I167 WeakPolarHBondContact O-CG1 3.48Å; L163-I167 PolarHBondContact O-N 2.89Å |
| 164 | L | 96.6 | Very high | 96.4 | Very high | 109 Ų | 109 | 94.3 Ų | 94.3 | 57% | 0.571 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.6 | -42.2 | 177.5 | -171.5 | 68.5 | 0 | 0 | 0 | 111.4 | R160 D161 I167 S168 | R160-L164 WeakPolarHBondContact O-CB 3.36Å; R160-L164 PolarHBondContact O-N 3.15Å; D161-L164 PolarHBondContact O-N 3.45Å; L164-I167 PolarHBondContact O-N 3.07Å; L164-S168 WeakPolarHBondContact O-CB 3.39Å; L164-S168 PolarHBondContact O-N 3.04Å |
| 165 | T | 96.6 | Very high | 96.5 | Very high | 87 Ų | 87 | 95.5 Ų | 95.5 | 53% | 0.534 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 175 | -56.2 | 0 | 0 | 0 | 0 | 110.7 | D161 K162 L163 I167 S168 F169 | D161-T165 WeakPolarHBondContact O-CB 3.28Å; D161-T165 PolarHBondContact O-N 3.03Å; D161-T165 PolarHBondContact O-OG1 3.23Å; K162-T165 PolarHBondContact O-N 3.03Å; L163-T165 VanDerWaalsContact C-N 3.32Å; L163-T165 PolarHBondContact O-N 3.26Å; T165-I167 PolarHBondContact O-N 2.88Å; T165-S168 PolarHBondContact O-N 3.36Å; T165-S168 PolarHBondContact O-OG 2.89Å; T165-F169 PolarHBondContact O-N 3.06Å |
| 166 | N | 97.2 | Very high | 96.6 | Very high | 79 Ų | 79 | 99.1 Ų | 99.1 | 42% | 0.422 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 176.9 | -72.1 | -9.9 | 0 | 0 | 0 | 112 | K162 L163 S168 F169 L170 | K162-N166 PolarHBondContact O-N 3.36Å; L163-N166 PolarHBondContact O-N 3.13Å; N166-S168 VanDerWaalsContact C-N 3.31Å; N166-S168 PolarHBondContact O-N 3.34Å; N166-F169 PolarHBondContact O-N 3.1Å; N166-L170 WeakPolarHBondContact O-CD1 3.4Å; N166-L170 PolarHBondContact O-N 3.34Å |
| 167 | I | 96.9 | Very high | 96.7 | Very high | 98 Ų | 98 | 102 Ų | 102 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60 | -43.7 | 176.8 | -71.1 | 167.9 | 0 | 0 | 0 | 110.5 | L163 L164 T165 L170 S171 | L163-I167 HydrophobicContact CD1-CD1 4.2Å; L163-I167 HydrophobicContact CD1-CG1 4.35Å; L163-I167 HydrophobicContact CG-CD1 3.89Å; L163-I167 HydrophobicContact CG-CG1 4.46Å; L163-I167 VanDerWaalsContact O-CG1 3.29Å; L163-I167 WeakPolarHBondContact O-CG1 3.48Å; L163-I167 PolarHBondContact O-N 2.89Å; L164-I167 PolarHBondContact O-N 3.07Å; T165-I167 PolarHBondContact O-N 2.88Å; I167-L170 PolarHBondContact O-N 3.24Å; I167-S171 VanDerWaalsContact O-CB 3.28Å; I167-S171 WeakPolarHBondContact O-CB 3.47Å; I167-S171 PolarHBondContact O-N 2.94Å |
| 168 | S | 96.2 | Very high | 96.7 | Very high | 66 Ų | 66 | 100.3 Ų | 100.3 | 46% | 0.462 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 177.7 | 75.4 | 0 | 0 | 0 | 0 | 111.7 | L164 T165 N166 S171 T172 | L164-S168 WeakPolarHBondContact O-CB 3.39Å; L164-S168 PolarHBondContact O-N 3.04Å; T165-S168 PolarHBondContact O-N 3.36Å; T165-S168 PolarHBondContact O-OG 2.89Å; N166-S168 VanDerWaalsContact C-N 3.31Å; N166-S168 PolarHBondContact O-N 3.34Å; S168-S171 WeakPolarHBondContact O-CB 3.36Å; S168-S171 PolarHBondContact O-N 3.5Å; S168-T172 WeakPolarHBondContact O-CG2 3.42Å; S168-T172 PolarHBondContact O-N 2.95Å |
| 169 | F | 97.3 | Very high | 96.8 | Very high | 130 Ų | 130 | 98.8 Ų | 98.8 | 57% | 0.57 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.3 | -51.6 | 176.7 | 179.1 | -94.7 | 0 | 0 | 0 | 111.4 | T165 N166 S171 T172 E173 | T165-F169 PolarHBondContact O-N 3.06Å; N166-F169 PolarHBondContact O-N 3.1Å; F169-S171 VanDerWaalsContact C-N 3.28Å; F169-S171 PolarHBondContact O-N 2.87Å; F169-T172 PolarHBondContact O-N 3.15Å; F169-T172 VanDerWaalsContact O-N 3.13Å; F169-T172 PolarHBondContact O-OG1 3.18Å; F169-E173 PolarHBondContact O-N 3.04Å |
| 170 | L | 97.5 | Very high | 96.8 | Very high | 94 Ų | 94 | 95.8 Ų | 95.8 | 49% | 0.492 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60 | -39.2 | 177.5 | -87.6 | 86.4 | 0 | 0 | 0 | 111.7 | N166 I167 T172 E173 I174 | N166-L170 WeakPolarHBondContact O-CD1 3.4Å; N166-L170 PolarHBondContact O-N 3.34Å; I167-L170 PolarHBondContact O-N 3.24Å; L170-T172 VanDerWaalsContact C-N 3.33Å; L170-T172 PolarHBondContact O-N 3.46Å; L170-E173 PolarHBondContact O-N 2.96Å; L170-I174 WeakPolarHBondContact O-CB 3.43Å; L170-I174 VanDerWaalsContact O-CG1 3.25Å; L170-I174 WeakPolarHBondContact O-CG1 3.37Å; L170-I174 PolarHBondContact O-N 2.91Å |
| 171 | S | 97.1 | Very high | 96.8 | Very high | 75 Ų | 75 | 96.4 Ų | 96.4 | 52% | 0.524 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 176.7 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | I167 S168 F169 S175 | I167-S171 VanDerWaalsContact O-CB 3.28Å; I167-S171 WeakPolarHBondContact O-CB 3.47Å; I167-S171 PolarHBondContact O-N 2.94Å; S168-S171 WeakPolarHBondContact O-CB 3.36Å; S168-S171 PolarHBondContact O-N 3.5Å; F169-S171 VanDerWaalsContact C-N 3.28Å; F169-S171 PolarHBondContact O-N 2.87Å; S171-S175 WeakPolarHBondContact O-CB 3.34Å; S171-S175 PolarHBondContact O-N 2.68Å |
| 172 | T | 96.5 | Very high | 96.7 | Very high | 74 Ų | 74 | 100 Ų | 100 | 45% | 0.454 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 174.7 | 60.5 | 0 | 0 | 0 | 0 | 112.6 | S168 F169 L170 S175 Q176 | S168-T172 WeakPolarHBondContact O-CG2 3.42Å; S168-T172 PolarHBondContact O-N 2.95Å; F169-T172 PolarHBondContact O-N 3.15Å; F169-T172 VanDerWaalsContact O-N 3.13Å; F169-T172 PolarHBondContact O-OG1 3.18Å; L170-T172 VanDerWaalsContact C-N 3.33Å; L170-T172 PolarHBondContact O-N 3.46Å; T172-S175 PolarHBondContact O-N 3.11Å; T172-Q176 WeakPolarHBondContact O-CG 3.28Å; T172-Q176 PolarHBondContact O-N 3.49Å |
| 173 | E | 96.8 | Very high | 96.7 | Very high | 68 Ų | 68 | 97.9 Ų | 97.9 | 32% | 0.318 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 178.1 | -167.2 | -171 | 155.4 | 0 | 0 | 111.5 | F169 L170 S175 Q176 K177 | F169-E173 PolarHBondContact O-N 3.04Å; L170-E173 PolarHBondContact O-N 2.96Å; E173-S175 VanDerWaalsContact C-N 3.34Å; E173-S175 PolarHBondContact O-N 3.33Å; E173-Q176 PolarHBondContact O-N 3.45Å; E173-K177 WeakPolarHBondContact O-CG 3.32Å; E173-K177 PolarHBondContact O-N 3.39Å; E173-K177 VanDerWaalsContact OE1-CE 3.32Å; E173-K177 WeakPolarHBondContact OE1-CE 3.36Å; E173-K177 IonicContact OE1-NZ 2.65Å; E173-K177 PolarHBondContact OE1-NZ 2.97Å |
| 174 | I | 96.4 | Very high | 96.7 | Very high | 115 Ų | 115 | 98.2 Ų | 98.2 | 59% | 0.59 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.9 | -44.7 | 174.8 | -70.8 | 166.4 | 0 | 0 | 0 | 110.4 | L170 Q176 K177 D178 | L170-I174 WeakPolarHBondContact O-CB 3.43Å; L170-I174 VanDerWaalsContact O-CG1 3.25Å; L170-I174 WeakPolarHBondContact O-CG1 3.37Å; L170-I174 PolarHBondContact O-N 2.91Å; I174-Q176 PolarHBondContact O-N 3.22Å; I174-K177 PolarHBondContact O-N 2.86Å; I174-D178 WeakPolarHBondContact O-CB 3.24Å; I174-D178 PolarHBondContact O-N 3.15Å |
| 175 | S | 95.7 | Very high | 96.7 | Very high | 71 Ų | 71 | 97 Ų | 97 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 178.6 | -177.1 | 0 | 0 | 0 | 0 | 112.6 | S171 T172 E173 D178 T179 | S171-S175 WeakPolarHBondContact O-CB 3.34Å; S171-S175 PolarHBondContact O-N 2.68Å; T172-S175 PolarHBondContact O-N 3.11Å; E173-S175 VanDerWaalsContact C-N 3.34Å; E173-S175 PolarHBondContact O-N 3.33Å; S175-D178 PolarHBondContact O-N 3.04Å; S175-T179 PolarHBondContact O-N 2.7Å; S175-T179 PolarHBondContact O-OG1 2.96Å |
| 176 | Q | 96.8 | Very high | 96.7 | Very high | 137 Ų | 137 | 98.1 Ų | 98.1 | 64% | 0.64 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.8 | -43.8 | 174.4 | -72.9 | 176.3 | 0.4 | 0 | 0 | 111.6 | T172 E173 I174 T179 A180 | T172-Q176 WeakPolarHBondContact O-CG 3.28Å; T172-Q176 PolarHBondContact O-N 3.49Å; E173-Q176 PolarHBondContact O-N 3.45Å; I174-Q176 PolarHBondContact O-N 3.22Å; Q176-T179 PolarHBondContact O-N 3.02Å; Q176-A180 PolarHBondContact O-N 3.42Å |
| 177 | K | 97.1 | Very high | 96.7 | Very high | 131 Ų | 131 | 99 Ų | 99 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.7 | -40.2 | 176.7 | -74.7 | -177.4 | -176.4 | 165.4 | 0 | 112.6 | E173 I174 T179 A180 Y181 | E173-K177 WeakPolarHBondContact O-CG 3.32Å; E173-K177 PolarHBondContact O-N 3.39Å; E173-K177 VanDerWaalsContact OE1-CE 3.32Å; E173-K177 WeakPolarHBondContact OE1-CE 3.36Å; E173-K177 IonicContact OE1-NZ 2.65Å; E173-K177 PolarHBondContact OE1-NZ 2.97Å; I174-K177 PolarHBondContact O-N 2.86Å; K177-T179 VanDerWaalsContact C-N 3.31Å; K177-T179 PolarHBondContact O-N 3.3Å; K177-A180 PolarHBondContact O-N 3.28Å; K177-Y181 WeakPolarHBondContact O-CB 3.46Å; K177-Y181 PolarHBondContact O-N 2.92Å |
| 178 | D | 97.1 | Very high | 96.7 | Very high | 70 Ų | 70 | 99.6 Ų | 99.6 | 37% | 0.374 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 174.7 | -171.5 | 47.8 | 0 | 0 | 0 | 110.9 | I174 S175 A180 Y181 R182 | I174-D178 WeakPolarHBondContact O-CB 3.24Å; I174-D178 PolarHBondContact O-N 3.15Å; S175-D178 PolarHBondContact O-N 3.04Å; D178-A180 PolarHBondContact O-N 2.98Å; D178-Y181 PolarHBondContact O-N 3.27Å; D178-R182 WeakPolarHBondContact O-CG 3.37Å; D178-R182 PolarHBondContact O-N 3.42Å; D178-R182 IonicContact OD1-NE 2.7Å; D178-R182 IonicContact OD2-CZ 3.13Å; D178-R182 VanDerWaalsContact OD2-CZ 3.3Å; D178-R182 IonicContact OD2-NE 3.51Å; D178-R182 PolarHBondContact OD2-NE 3.42Å; D178-R182 VanDerWaalsContact OD2-NE 3.11Å; D178-R182 IonicContact OD2-NH2 2.72Å; D178-R182 PolarHBondContact OD2-NH2 3.05Å |
| 179 | T | 96.7 | Very high | 96.7 | Very high | 89 Ų | 89 | 102.7 Ų | 102.7 | 55% | 0.546 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | 176 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | S175 Q176 K177 Y181 R182 H183 | S175-T179 PolarHBondContact O-N 2.7Å; S175-T179 PolarHBondContact O-OG1 2.96Å; Q176-T179 PolarHBondContact O-N 3.02Å; K177-T179 VanDerWaalsContact C-N 3.31Å; K177-T179 PolarHBondContact O-N 3.3Å; T179-Y181 VanDerWaalsContact C-N 3.35Å; T179-R182 PolarHBondContact O-N 2.95Å; T179-H183 PolarHBondContact O-N 3.41Å; T179-H183 VanDerWaalsContact O-N 3.08Å |
| 180 | A | 96.3 | Very high | 96.7 | Very high | 61 Ų | 61 | 101.9 Ų | 101.9 | 50% | 0.504 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q176 K177 D178 H183 L184 | Q176-A180 PolarHBondContact O-N 3.42Å; K177-A180 PolarHBondContact O-N 3.28Å; D178-A180 PolarHBondContact O-N 2.98Å; A180-H183 PolarHBondContact O-N 3.27Å; A180-L184 WeakPolarHBondContact O-CB 3.43Å; A180-L184 PolarHBondContact O-N 3.38Å |
| 181 | Y | 96.4 | Very high | 96.7 | Very high | 152 Ų | 152 | 102.3 Ų | 102.3 | 60% | 0.596 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.3 | -46.6 | 176.8 | -172.6 | -92.5 | 0 | 0 | 0 | 111.7 | K177 D178 T179 H183 L184 E185 | K177-Y181 WeakPolarHBondContact O-CB 3.46Å; K177-Y181 PolarHBondContact O-N 2.92Å; D178-Y181 PolarHBondContact O-N 3.27Å; T179-Y181 VanDerWaalsContact C-N 3.35Å; Y181-H183 VanDerWaalsContact C-N 3.31Å; Y181-H183 PolarHBondContact O-N 3.45Å; Y181-L184 WeakPolarHBondContact O-CB 3.48Å; Y181-L184 PolarHBondContact O-N 3.35Å; Y181-L184 VanDerWaalsContact O-N 3.16Å; Y181-E185 PolarHBondContact O-N 2.89Å |
| 182 | R | 95.7 | Very high | 96.7 | Very high | 148 Ų | 148 | 105 Ų | 105 | 56% | 0.558 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.1 | -42.4 | 175.3 | -69.1 | 179.1 | -165 | -161.5 | 5.4 | 112.2 | D178 T179 L184 E185 I186 | D178-R182 WeakPolarHBondContact O-CG 3.37Å; D178-R182 PolarHBondContact O-N 3.42Å; D178-R182 IonicContact OD1-NE 2.7Å; D178-R182 IonicContact OD2-CZ 3.13Å; D178-R182 VanDerWaalsContact OD2-CZ 3.3Å; D178-R182 IonicContact OD2-NE 3.51Å; D178-R182 PolarHBondContact OD2-NE 3.42Å; D178-R182 VanDerWaalsContact OD2-NE 3.11Å; D178-R182 IonicContact OD2-NH2 2.72Å; D178-R182 PolarHBondContact OD2-NH2 3.05Å; T179-R182 PolarHBondContact O-N 2.95Å; R182-L184 VanDerWaalsContact C-N 3.35Å; R182-E185 WeakPolarHBondContact O-CB 3.46Å; R182-E185 PolarHBondContact O-N 3.31Å; R182-I186 VanDerWaalsContact O-CG1 3.32Å; R182-I186 WeakPolarHBondContact O-CG1 3.48Å; R182-I186 PolarHBondContact O-N 3.04Å |
| 183 | H | 97 | Very high | 96.7 | Very high | 97 Ų | 97 | 106.4 Ų | 106.4 | 45% | 0.449 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.9 | -39.4 | 176.9 | -177.8 | -115.1 | 0 | 0 | 0 | 112.2 | T179 A180 Y181 I186 K187 | T179-H183 PolarHBondContact O-N 3.41Å; T179-H183 VanDerWaalsContact O-N 3.08Å; A180-H183 PolarHBondContact O-N 3.27Å; Y181-H183 VanDerWaalsContact C-N 3.31Å; Y181-H183 PolarHBondContact O-N 3.45Å; H183-I186 PolarHBondContact O-N 2.76Å; H183-K187 WeakPolarHBondContact CE1-CE 2.96Å; H183-K187 PolarHBondContact CE1-NZ 3.11Å; H183-K187 WeakPolarHBondContact O-CG 3.36Å; H183-K187 PolarHBondContact O-N 3.16Å |
| 184 | L | 97.1 | Very high | 96.7 | Very high | 112 Ų | 112 | 106.4 Ų | 106.4 | 59% | 0.586 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.8 | -40.2 | 173.9 | -174 | 64.9 | 0 | 0 | 0 | 111.8 | A180 Y181 R182 I186 K187 N188 | A180-L184 WeakPolarHBondContact O-CB 3.43Å; A180-L184 PolarHBondContact O-N 3.38Å; Y181-L184 WeakPolarHBondContact O-CB 3.48Å; Y181-L184 PolarHBondContact O-N 3.35Å; Y181-L184 VanDerWaalsContact O-N 3.16Å; R182-L184 VanDerWaalsContact C-N 3.35Å; L184-I186 PolarHBondContact O-N 3.3Å; L184-K187 PolarHBondContact O-N 3.5Å; L184-N188 WeakPolarHBondContact O-CB 3.42Å; L184-N188 PolarHBondContact O-N 3.37Å |
| 185 | E | 96.5 | Very high | 96.7 | Very high | 83 Ų | 83 | 105.1 Ų | 105.1 | 39% | 0.388 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 176.6 | -166.7 | -166.9 | 157.7 | 0 | 0 | 111.5 | Y181 R182 N188 K189 | Y181-E185 PolarHBondContact O-N 2.89Å; R182-E185 WeakPolarHBondContact O-CB 3.46Å; R182-E185 PolarHBondContact O-N 3.31Å; E185-N188 PolarHBondContact O-N 3.01Å; E185-K189 WeakPolarHBondContact O-CG 3.32Å; E185-K189 PolarHBondContact O-N 2.87Å; E185-K189 WeakPolarHBondContact OE1-CE 3.42Å; E185-K189 IonicContact OE1-NZ 2.72Å; E185-K189 PolarHBondContact OE1-NZ 2.87Å |
| 186 | I | 96.6 | Very high | 96.7 | Very high | 110 Ų | 110 | 107 Ų | 107 | 56% | 0.564 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.4 | -46.9 | 174.9 | -67.3 | 164.6 | 0 | 0 | 0 | 110.6 | R182 H183 L184 N188 K189 H190 | R182-I186 VanDerWaalsContact O-CG1 3.32Å; R182-I186 WeakPolarHBondContact O-CG1 3.48Å; R182-I186 PolarHBondContact O-N 3.04Å; H183-I186 PolarHBondContact O-N 2.76Å; L184-I186 PolarHBondContact O-N 3.3Å; I186-N188 VanDerWaalsContact C-N 3.31Å; I186-N188 PolarHBondContact O-N 2.96Å; I186-K189 PolarHBondContact O-N 2.95Å; I186-H190 PolarHBondContact O-N 2.85Å |
| 187 | K | 97.3 | Very high | 96.7 | Very high | 99 Ų | 99 | 105.5 Ų | 105.5 | 43% | 0.43 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.6 | -41.5 | 176.5 | -78.4 | -178 | 170.5 | -179.6 | 0 | 112.1 | H183 L184 H190 L191 | H183-K187 WeakPolarHBondContact CE1-CE 2.96Å; H183-K187 PolarHBondContact CE1-NZ 3.11Å; H183-K187 WeakPolarHBondContact O-CG 3.36Å; H183-K187 PolarHBondContact O-N 3.16Å; L184-K187 PolarHBondContact O-N 3.5Å; K187-H190 PolarHBondContact O-N 3.08Å; K187-L191 WeakPolarHBondContact O-CB 3.22Å; K187-L191 WeakPolarHBondContact O-CG 3.22Å; K187-L191 PolarHBondContact O-N 3.26Å |
| 188 | N | 96.4 | Very high | 96.7 | Very high | 109 Ų | 109 | 103.8 Ų | 103.8 | 58% | 0.583 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.6 | -43.3 | 178.3 | -168.5 | 21.4 | 0 | 0 | 0 | 111.8 | L184 E185 I186 H190 L191 K192 | L184-N188 WeakPolarHBondContact O-CB 3.42Å; L184-N188 PolarHBondContact O-N 3.37Å; E185-N188 PolarHBondContact O-N 3.01Å; I186-N188 VanDerWaalsContact C-N 3.31Å; I186-N188 PolarHBondContact O-N 2.96Å; N188-H190 VanDerWaalsContact C-N 3.31Å; N188-H190 PolarHBondContact O-N 3.45Å; N188-L191 PolarHBondContact O-N 3.48Å; N188-K192 WeakPolarHBondContact O-CB 3.5Å; N188-K192 PolarHBondContact O-N 2.86Å |
| 189 | K | 96.8 | Very high | 96.7 | Very high | 131 Ų | 131 | 107 Ų | 107 | 57% | 0.57 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.9 | -42.9 | 173.2 | -74 | 175.6 | -175.4 | 167.2 | 0 | 111.6 | E185 I186 K192 N193 | E185-K189 WeakPolarHBondContact O-CG 3.32Å; E185-K189 PolarHBondContact O-N 2.87Å; E185-K189 WeakPolarHBondContact OE1-CE 3.42Å; E185-K189 IonicContact OE1-NZ 2.72Å; E185-K189 PolarHBondContact OE1-NZ 2.87Å; I186-K189 PolarHBondContact O-N 2.95Å; K189-K192 PolarHBondContact O-N 3.11Å; K189-N193 PolarHBondContact O-N 2.91Å; K189-N193 VanDerWaalsContact O-N 3.11Å |
| 190 | H | 97.1 | Very high | 96.7 | Very high | 114 Ų | 114 | 105.3 Ų | 105.3 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.7 | -46.3 | 177.5 | -176.4 | 46.8 | 0 | 0 | 0 | 112.5 | I186 K187 N188 K192 N193 I194 | I186-H190 PolarHBondContact O-N 2.85Å; K187-H190 PolarHBondContact O-N 3.08Å; N188-H190 VanDerWaalsContact C-N 3.31Å; N188-H190 PolarHBondContact O-N 3.45Å; H190-K192 VanDerWaalsContact C-N 3.35Å; H190-K192 PolarHBondContact O-N 3.39Å; H190-N193 WeakPolarHBondContact O-CB 3.46Å; H190-N193 PolarHBondContact O-N 3.02Å; H190-I194 WeakPolarHBondContact NE2-CD1 3.49Å; H190-I194 WeakPolarHBondContact O-CG1 3.39Å; H190-I194 PolarHBondContact O-N 3.46Å |
| 191 | L | 96.9 | Very high | 96.7 | Very high | 102 Ų | 102 | 105.3 Ų | 105.3 | 53% | 0.534 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 176.2 | -77 | 168.3 | 0 | 0 | 0 | 111.6 | K187 N188 N193 I194 T195 | K187-L191 WeakPolarHBondContact O-CB 3.22Å; K187-L191 WeakPolarHBondContact O-CG 3.22Å; K187-L191 PolarHBondContact O-N 3.26Å; N188-L191 PolarHBondContact O-N 3.48Å; L191-N193 VanDerWaalsContact C-N 3.27Å; L191-N193 PolarHBondContact O-N 3.1Å; L191-I194 PolarHBondContact O-N 3.48Å; L191-I194 VanDerWaalsContact O-N 3.15Å; L191-T195 PolarHBondContact O-N 2.95Å; L191-T195 PolarHBondContact O-OG1 3.47Å |
| 192 | K | 97.2 | Very high | 96.8 | Very high | 131 Ų | 131 | 102.8 Ų | 102.8 | 57% | 0.57 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -57.1 | -42.4 | 175.9 | -172.9 | 176.6 | -179.3 | -178.9 | 0 | 111.7 | N188 K189 H190 T195 H196 | N188-K192 WeakPolarHBondContact O-CB 3.5Å; N188-K192 PolarHBondContact O-N 2.86Å; K189-K192 PolarHBondContact O-N 3.11Å; H190-K192 VanDerWaalsContact C-N 3.35Å; H190-K192 PolarHBondContact O-N 3.39Å; K192-T195 PolarHBondContact O-N 3.33Å; K192-H196 WeakPolarHBondContact CE-NE2 3.48Å; K192-H196 PolarHBondContact O-CD2 3.26Å; K192-H196 PolarHBondContact O-N 2.85Å |
| 193 | N | 96.3 | Very high | 96.8 | Very high | 104 Ų | 104 | 99.3 Ų | 99.3 | 56% | 0.556 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.5 | -44.8 | 176.2 | -168.1 | 27.8 | 0 | 0 | 0 | 112.2 | K189 H190 L191 T195 H196 Q197 | K189-N193 PolarHBondContact O-N 2.91Å; K189-N193 VanDerWaalsContact O-N 3.11Å; H190-N193 WeakPolarHBondContact O-CB 3.46Å; H190-N193 PolarHBondContact O-N 3.02Å; L191-N193 VanDerWaalsContact C-N 3.27Å; L191-N193 PolarHBondContact O-N 3.1Å; N193-T195 VanDerWaalsContact C-N 3.31Å; N193-T195 PolarHBondContact O-N 3.03Å; N193-H196 PolarHBondContact O-N 3.27Å; N193-Q197 PolarHBondContact O-N 2.95Å |
| 194 | I | 97.2 | Very high | 96.8 | Very high | 68 Ų | 68 | 98.9 Ų | 98.9 | 35% | 0.349 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 175.4 | -68.7 | 167.2 | 0 | 0 | 0 | 110.8 | H190 L191 H196 Q197 L198 | H190-I194 WeakPolarHBondContact NE2-CD1 3.49Å; H190-I194 WeakPolarHBondContact O-CG1 3.39Å; H190-I194 PolarHBondContact O-N 3.46Å; L191-I194 PolarHBondContact O-N 3.48Å; L191-I194 VanDerWaalsContact O-N 3.15Å; I194-H196 VanDerWaalsContact C-N 3.33Å; I194-H196 PolarHBondContact O-N 2.96Å; I194-Q197 PolarHBondContact O-N 3.49Å; I194-L198 HydrophobicContact CG2-CD1 3.82Å; I194-L198 HydrophobicContact CG2-CG 4.21Å; I194-L198 WeakPolarHBondContact O-CB 3.37Å; I194-L198 WeakPolarHBondContact O-CG 3.49Å; I194-L198 PolarHBondContact O-N 3.15Å |
| 195 | T | 96.3 | Very high | 96.8 | Very high | 89 Ų | 89 | 98.5 Ų | 98.5 | 55% | 0.546 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 177.4 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | L191 K192 N193 L198 H199 | L191-T195 PolarHBondContact O-N 2.95Å; L191-T195 PolarHBondContact O-OG1 3.47Å; K192-T195 PolarHBondContact O-N 3.33Å; N193-T195 VanDerWaalsContact C-N 3.31Å; N193-T195 PolarHBondContact O-N 3.03Å; T195-L198 PolarHBondContact O-N 2.74Å; T195-H199 WeakPolarHBondContact O-CB 3.44Å; T195-H199 PolarHBondContact O-N 3.18Å |
| 196 | H | 96 | Very high | 96.9 | Very high | 111 Ų | 111 | 97.8 Ų | 97.8 | 51% | 0.514 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 175 | -72.8 | -53.3 | 0 | 0 | 0 | 112.2 | K192 N193 I194 H199 S200 | K192-H196 WeakPolarHBondContact CE-NE2 3.48Å; K192-H196 PolarHBondContact O-CD2 3.26Å; K192-H196 PolarHBondContact O-N 2.85Å; N193-H196 PolarHBondContact O-N 3.27Å; I194-H196 VanDerWaalsContact C-N 3.33Å; I194-H196 PolarHBondContact O-N 2.96Å; H196-H199 PolarHBondContact O-N 3.47Å; H196-S200 PolarHBondContact O-N 3.34Å |
| 197 | Q | 96.6 | Very high | 96.9 | Very high | 104 Ų | 104 | 94.4 Ų | 94.4 | 49% | 0.486 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62 | -48.8 | 176.6 | -174.6 | 60.7 | 45.7 | 0 | 0 | 111.6 | N193 I194 H199 S200 D201 | N193-Q197 PolarHBondContact O-N 2.95Å; I194-Q197 PolarHBondContact O-N 3.49Å; Q197-H199 VanDerWaalsContact C-N 3.28Å; Q197-H199 PolarHBondContact O-N 2.69Å; Q197-S200 WeakPolarHBondContact O-CB 3.49Å; Q197-S200 PolarHBondContact O-N 2.89Å; Q197-S200 VanDerWaalsContact O-N 3.1Å; Q197-D201 PolarHBondContact NE2-OD1 3.27Å; Q197-D201 VanDerWaalsContact O-CG 3.29Å; Q197-D201 PolarHBondContact O-N 3.32Å |
| 198 | L | 97.2 | Very high | 96.9 | Very high | 95 Ų | 95 | 95 Ų | 95 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.3 | -38.9 | 177.8 | -73.9 | 173.4 | 0 | 0 | 0 | 112.1 | I194 T195 S200 D201 I202 | I194-L198 HydrophobicContact CG2-CD1 3.82Å; I194-L198 HydrophobicContact CG2-CG 4.21Å; I194-L198 WeakPolarHBondContact O-CB 3.37Å; I194-L198 WeakPolarHBondContact O-CG 3.49Å; I194-L198 PolarHBondContact O-N 3.15Å; T195-L198 PolarHBondContact O-N 2.74Å; L198-S200 VanDerWaalsContact C-N 3.33Å; L198-D201 PolarHBondContact O-N 3.32Å; L198-I202 WeakPolarHBondContact O-CB 3.47Å; L198-I202 VanDerWaalsContact O-CG1 3.24Å; L198-I202 WeakPolarHBondContact O-CG1 3.44Å; L198-I202 PolarHBondContact O-N 2.94Å |
| 199 | H | 96.9 | Very high | 96.9 | Very high | 137 Ų | 137 | 95.9 Ų | 95.9 | 63% | 0.634 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.3 | -41.4 | 176 | -171.1 | 71.8 | 0 | 0 | 0 | 111.7 | T195 H196 Q197 S203 | T195-H199 WeakPolarHBondContact O-CB 3.44Å; T195-H199 PolarHBondContact O-N 3.18Å; H196-H199 PolarHBondContact O-N 3.47Å; Q197-H199 VanDerWaalsContact C-N 3.28Å; Q197-H199 PolarHBondContact O-N 2.69Å; H199-S203 PolarHBondContact O-N 3.47Å |
| 200 | S | 96.2 | Very high | 96.9 | Very high | 54 Ų | 54 | 97.1 Ų | 97.1 | 38% | 0.378 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 173.3 | -175.6 | 0 | 0 | 0 | 0 | 111.7 | H196 Q197 L198 I202 S203 I204 | H196-S200 PolarHBondContact O-N 3.34Å; Q197-S200 WeakPolarHBondContact O-CB 3.49Å; Q197-S200 PolarHBondContact O-N 2.89Å; Q197-S200 VanDerWaalsContact O-N 3.1Å; L198-S200 VanDerWaalsContact C-N 3.33Å; S200-I202 PolarHBondContact O-N 3.46Å; S200-S203 WeakPolarHBondContact O-CB 3.36Å; S200-S203 PolarHBondContact O-N 3.13Å; S200-S203 VanDerWaalsContact O-N 3.15Å; S200-I204 WeakPolarHBondContact O-CG1 3.49Å; S200-I204 PolarHBondContact O-N 3.02Å |
| 201 | D | 97.7 | Very high | 96.9 | Very high | 61 Ų | 61 | 96.6 Ų | 96.6 | 33% | 0.326 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.8 | -44.5 | -179.6 | -64.2 | -13.9 | 0 | 0 | 0 | 111.3 | Q197 L198 S203 I204 L205 | Q197-D201 PolarHBondContact NE2-OD1 3.27Å; Q197-D201 VanDerWaalsContact O-CG 3.29Å; Q197-D201 PolarHBondContact O-N 3.32Å; L198-D201 PolarHBondContact O-N 3.32Å; D201-S203 VanDerWaalsContact C-N 3.29Å; D201-S203 PolarHBondContact O-N 2.88Å; D201-I204 PolarHBondContact O-N 3.26Å; D201-L205 WeakPolarHBondContact O-CB 3.46Å; D201-L205 WeakPolarHBondContact O-CD1 3.47Å; D201-L205 WeakPolarHBondContact O-CG 3.48Å; D201-L205 PolarHBondContact O-N 3.24Å |
| 202 | I | 97.2 | Very high | 97 | Very high | 100 Ų | 100 | 99.3 Ų | 99.3 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.5 | -41.4 | 175.1 | -71.6 | 167.2 | 0 | 0 | 0 | 110.9 | L198 S200 L205 T206 | L198-I202 WeakPolarHBondContact O-CB 3.47Å; L198-I202 VanDerWaalsContact O-CG1 3.24Å; L198-I202 WeakPolarHBondContact O-CG1 3.44Å; L198-I202 PolarHBondContact O-N 2.94Å; S200-I202 PolarHBondContact O-N 3.46Å; I202-L205 PolarHBondContact O-N 2.92Å; I202-T206 VanDerWaalsContact O-CB 3.28Å; I202-T206 WeakPolarHBondContact O-CB 3.49Å; I202-T206 PolarHBondContact O-N 3.47Å; I202-T206 PolarHBondContact O-OG1 2.95Å |
| 203 | S | 96.3 | Very high | 96.9 | Very high | 75 Ų | 75 | 95.4 Ų | 95.4 | 52% | 0.524 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60 | -46.2 | 176.9 | -174.3 | 0 | 0 | 0 | 0 | 111.7 | H199 S200 D201 T206 A207 | H199-S203 PolarHBondContact O-N 3.47Å; S200-S203 WeakPolarHBondContact O-CB 3.36Å; S200-S203 PolarHBondContact O-N 3.13Å; S200-S203 VanDerWaalsContact O-N 3.15Å; D201-S203 VanDerWaalsContact C-N 3.29Å; D201-S203 PolarHBondContact O-N 2.88Å; S203-T206 PolarHBondContact O-N 2.7Å; S203-A207 PolarHBondContact O-N 3.38Å |
| 204 | I | 97.4 | Very high | 97 | Very high | 87 Ų | 87 | 95 Ų | 95 | 45% | 0.446 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.9 | -51.5 | 177.8 | -65.3 | 166.1 | 0 | 0 | 0 | 110.5 | S200 D201 T206 A207 E208 | S200-I204 WeakPolarHBondContact O-CG1 3.49Å; S200-I204 PolarHBondContact O-N 3.02Å; D201-I204 PolarHBondContact O-N 3.26Å; I204-T206 PolarHBondContact O-N 3.23Å; I204-A207 WeakPolarHBondContact O-CB 3.44Å; I204-A207 PolarHBondContact O-N 2.69Å; I204-E208 PolarHBondContact O-N 3.4Å |
| 205 | L | 97.3 | Very high | 97 | Very high | 104 Ų | 104 | 94.2 Ų | 94.2 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.2 | -38.2 | 178.1 | -80.7 | 152.1 | 0 | 0 | 0 | 112.3 | D201 I202 E208 L209 | D201-L205 WeakPolarHBondContact O-CB 3.46Å; D201-L205 WeakPolarHBondContact O-CD1 3.47Å; D201-L205 WeakPolarHBondContact O-CG 3.48Å; D201-L205 PolarHBondContact O-N 3.24Å; I202-L205 PolarHBondContact O-N 2.92Å; L205-E208 PolarHBondContact O-N 3.42Å; L205-L209 WeakPolarHBondContact O-CB 3.28Å; L205-L209 PolarHBondContact O-N 2.9Å |
| 206 | T | 97.3 | Very high | 97 | Very high | 68 Ų | 68 | 97 Ų | 97 | 42% | 0.417 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.2 | -38.2 | 177 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | I202 S203 I204 R210 | I202-T206 VanDerWaalsContact O-CB 3.28Å; I202-T206 WeakPolarHBondContact O-CB 3.49Å; I202-T206 PolarHBondContact O-N 3.47Å; I202-T206 PolarHBondContact O-OG1 2.95Å; S203-T206 PolarHBondContact O-N 2.7Å; I204-T206 PolarHBondContact O-N 3.23Å; T206-R210 PolarHBondContact O-N 3.37Å; T206-R210 VanDerWaalsContact O-N 3.13Å |
| 207 | A | 96.6 | Very high | 97 | Very high | 39 Ų | 39 | 96 Ų | 96 | 32% | 0.322 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.6 | -47.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S203 I204 L209 R210 D211 | S203-A207 PolarHBondContact O-N 3.38Å; I204-A207 WeakPolarHBondContact O-CB 3.44Å; I204-A207 PolarHBondContact O-N 2.69Å; A207-L209 VanDerWaalsContact C-N 3.32Å; A207-L209 PolarHBondContact O-N 3.25Å; A207-R210 WeakPolarHBondContact O-CB 3.25Å; A207-R210 PolarHBondContact O-N 2.85Å; A207-R210 VanDerWaalsContact O-N 3.09Å; A207-D211 PolarHBondContact O-N 2.94Å |
| 208 | E | 97.6 | Very high | 97.1 | Very high | 113 Ų | 113 | 97.1 Ų | 97.1 | 53% | 0.528 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.6 | -41 | 177.1 | -70 | -177.8 | 177.6 | 0 | 0 | 112.5 | I204 L205 R210 D211 K212 | I204-E208 PolarHBondContact O-N 3.4Å; L205-E208 PolarHBondContact O-N 3.42Å; E208-R210 VanDerWaalsContact C-N 3.31Å; E208-R210 PolarHBondContact O-N 3.45Å; E208-D211 PolarHBondContact O-N 2.95Å; E208-K212 WeakPolarHBondContact O-CB 3.35Å; E208-K212 WeakPolarHBondContact O-CG 3.49Å; E208-K212 PolarHBondContact O-N 3.49Å |
| 209 | L | 97.3 | Very high | 97.1 | Very high | 127 Ų | 127 | 98.2 Ų | 98.2 | 67% | 0.665 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.3 | -38.9 | 176.2 | -175.6 | 64.7 | 0 | 0 | 0 | 111.5 | L205 A207 K212 A213 | L205-L209 WeakPolarHBondContact O-CB 3.28Å; L205-L209 PolarHBondContact O-N 2.9Å; A207-L209 VanDerWaalsContact C-N 3.32Å; A207-L209 PolarHBondContact O-N 3.25Å; L209-K212 PolarHBondContact O-N 3.41Å; L209-A213 WeakPolarHBondContact O-CB 3.03Å; L209-A213 PolarHBondContact O-N 3.35Å |
| 210 | R | 97.3 | Very high | 97.1 | Very high | 157 Ų | 157 | 97.6 Ų | 97.6 | 59% | 0.592 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.2 | -44.7 | 175.9 | -170.9 | -175.8 | -66.2 | 134.2 | -0.5 | 111.1 | T206 A207 E208 A213 L214 | T206-R210 PolarHBondContact O-N 3.37Å; T206-R210 VanDerWaalsContact O-N 3.13Å; A207-R210 WeakPolarHBondContact O-CB 3.25Å; A207-R210 PolarHBondContact O-N 2.85Å; A207-R210 VanDerWaalsContact O-N 3.09Å; E208-R210 VanDerWaalsContact C-N 3.31Å; E208-R210 PolarHBondContact O-N 3.45Å; R210-A213 WeakPolarHBondContact O-CB 3.32Å; R210-A213 PolarHBondContact O-N 2.89Å; R210-L214 WeakPolarHBondContact O-CG 3.42Å; R210-L214 PolarHBondContact O-N 3.3Å |
| 211 | D | 97.4 | Very high | 97.1 | Very high | 102 Ų | 102 | 98.2 Ų | 98.2 | 55% | 0.545 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 178.3 | -69 | -13.2 | 0 | 0 | 0 | 111.6 | A207 E208 A213 L214 A215 | A207-D211 PolarHBondContact O-N 2.94Å; E208-D211 PolarHBondContact O-N 2.95Å; D211-A213 VanDerWaalsContact C-N 3.34Å; D211-A213 PolarHBondContact O-N 3.46Å; D211-L214 PolarHBondContact O-N 2.81Å; D211-A215 PolarHBondContact O-N 2.96Å |
| 212 | K | 97 | Very high | 97 | Very high | 159 Ų | 159 | 100 Ų | 100 | 69% | 0.691 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.8 | -38.8 | 173.6 | -73.7 | -72.1 | -178.6 | -179.6 | 0 | 112.5 | E208 L209 L214 A215 Y216 | E208-K212 WeakPolarHBondContact O-CB 3.35Å; E208-K212 WeakPolarHBondContact O-CG 3.49Å; E208-K212 PolarHBondContact O-N 3.49Å; L209-K212 PolarHBondContact O-N 3.41Å; K212-L214 VanDerWaalsContact C-N 3.35Å; K212-A215 PolarHBondContact O-N 2.77Å; K212-Y216 WeakPolarHBondContact O-CB 3.29Å; K212-Y216 PolarHBondContact O-N 3.24Å |
| 213 | A | 96.7 | Very high | 97 | Very high | 49 Ų | 49 | 103.5 Ų | 103.5 | 41% | 0.405 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.6 | -38.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | L209 R210 D211 Y216 N217 | L209-A213 WeakPolarHBondContact O-CB 3.03Å; L209-A213 PolarHBondContact O-N 3.35Å; R210-A213 WeakPolarHBondContact O-CB 3.32Å; R210-A213 PolarHBondContact O-N 2.89Å; D211-A213 VanDerWaalsContact C-N 3.34Å; D211-A213 PolarHBondContact O-N 3.46Å; A213-Y216 PolarHBondContact O-N 3.25Å; A213-N217 PolarHBondContact O-N 2.98Å; A213-N217 VanDerWaalsContact O-N 3.12Å; A213-N217 PolarHBondContact O-ND2 3.32Å; A213-N217 VanDerWaalsContact O-ND2 3.17Å |
| 214 | L | 97.1 | Very high | 97 | Very high | 97 Ų | 97 | 106.5 Ų | 106.5 | 51% | 0.508 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.7 | -50.4 | 173.4 | -70.3 | 173.1 | 0 | 0 | 0 | 111.4 | R210 D211 K212 Y216 N217 E218 | R210-L214 WeakPolarHBondContact O-CG 3.42Å; R210-L214 PolarHBondContact O-N 3.3Å; D211-L214 PolarHBondContact O-N 2.81Å; K212-L214 VanDerWaalsContact C-N 3.35Å; L214-Y216 VanDerWaalsContact C-N 3.26Å; L214-Y216 PolarHBondContact O-N 3.05Å; L214-N217 WeakPolarHBondContact O-CB 3.29Å; L214-N217 PolarHBondContact O-N 3.24Å; L214-E218 PolarHBondContact O-N 3.24Å |
| 215 | A | 97 | Very high | 97 | Very high | 51 Ų | 51 | 109.5 Ų | 109.5 | 42% | 0.421 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59 | -37 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D211 K212 L219 | D211-A215 PolarHBondContact O-N 2.96Å; K212-A215 PolarHBondContact O-N 2.77Å; A215-L219 WeakPolarHBondContact O-CB 3.47Å; A215-L219 PolarHBondContact O-N 2.89Å |
| 216 | Y | 97.1 | Very high | 96.9 | Very high | 146 Ų | 146 | 108.8 Ų | 108.8 | 57% | 0.573 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.5 | -40.6 | 174.3 | 175.4 | -100.1 | 0 | 0 | 0 | 112.5 | K212 A213 L214 L219 K220 | K212-Y216 WeakPolarHBondContact O-CB 3.29Å; K212-Y216 PolarHBondContact O-N 3.24Å; A213-Y216 PolarHBondContact O-N 3.25Å; L214-Y216 VanDerWaalsContact C-N 3.26Å; L214-Y216 PolarHBondContact O-N 3.05Å; Y216-L219 PolarHBondContact O-N 2.86Å; Y216-K220 HydrophobicContact CE1-CD 4.33Å; Y216-K220 VanDerWaalsContact O-CB 3.28Å; Y216-K220 WeakPolarHBondContact O-CB 3.41Å; Y216-K220 PolarHBondContact O-N 2.88Å |
| 217 | N | 97 | Very high | 96.8 | Very high | 91 Ų | 91 | 107.3 Ų | 107.3 | 49% | 0.487 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.7 | -40.1 | 178.3 | -73.7 | -34.5 | 0 | 0 | 0 | 112 | A213 L214 K220 S221 | A213-N217 PolarHBondContact O-N 2.98Å; A213-N217 VanDerWaalsContact O-N 3.12Å; A213-N217 PolarHBondContact O-ND2 3.32Å; A213-N217 VanDerWaalsContact O-ND2 3.17Å; L214-N217 WeakPolarHBondContact O-CB 3.29Å; L214-N217 PolarHBondContact O-N 3.24Å; N217-K220 PolarHBondContact O-N 3.45Å; N217-S221 PolarHBondContact O-N 3.37Å; N217-S221 PolarHBondContact O-OG 3Å |
| 218 | E | 97.2 | Very high | 96.7 | Very high | 128 Ų | 128 | 109 Ų | 109 | 60% | 0.598 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61 | -49.9 | 173.4 | -69.9 | 177.6 | 175.4 | 0 | 0 | 111.2 | L214 K220 S221 D222 | L214-E218 PolarHBondContact O-N 3.24Å; E218-K220 VanDerWaalsContact C-N 3.26Å; E218-K220 PolarHBondContact O-N 3.18Å; E218-S221 WeakPolarHBondContact CA-OG 3.42Å; E218-S221 PolarHBondContact O-N 3.5Å; E218-S221 PolarHBondContact O-OG 3.34Å; E218-D222 PolarHBondContact O-N 3.28Å |
| 219 | L | 97.1 | Very high | 96.6 | Very high | 117 Ų | 117 | 108.1 Ų | 108.1 | 61% | 0.613 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.9 | -38.1 | 177.3 | -176.9 | 63.2 | 0 | 0 | 0 | 112.1 | A215 Y216 D222 Y223 | A215-L219 WeakPolarHBondContact O-CB 3.47Å; A215-L219 PolarHBondContact O-N 2.89Å; Y216-L219 PolarHBondContact O-N 2.86Å; L219-D222 PolarHBondContact O-N 3.09Å; L219-Y223 WeakPolarHBondContact O-CB 3.38Å; L219-Y223 PolarHBondContact O-N 3.49Å |
| 220 | K | 97.2 | Very high | 96.4 | Very high | 125 Ų | 125 | 108.2 Ų | 108.2 | 54% | 0.543 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.2 | -39 | 176 | -175 | 179.1 | 179.9 | -177.8 | 0 | 111.8 | Y216 N217 E218 K224 | Y216-K220 HydrophobicContact CE1-CD 4.33Å; Y216-K220 VanDerWaalsContact O-CB 3.28Å; Y216-K220 WeakPolarHBondContact O-CB 3.41Å; Y216-K220 PolarHBondContact O-N 2.88Å; N217-K220 PolarHBondContact O-N 3.45Å; E218-K220 VanDerWaalsContact C-N 3.26Å; E218-K220 PolarHBondContact O-N 3.18Å; K220-K224 PolarHBondContact O-N 2.92Å; K220-K224 VanDerWaalsContact O-N 3.13Å |
| 221 | S | 95.7 | Very high | 96.1 | Very high | 66 Ų | 66 | 106.4 Ų | 106.4 | 46% | 0.462 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.5 | -41 | 173.8 | 49.6 | 0 | 0 | 0 | 0 | 112.5 | N217 E218 K224 Y225 | N217-S221 PolarHBondContact O-N 3.37Å; N217-S221 PolarHBondContact O-OG 3Å; E218-S221 WeakPolarHBondContact CA-OG 3.42Å; E218-S221 PolarHBondContact O-N 3.5Å; E218-S221 PolarHBondContact O-OG 3.34Å; S221-K224 WeakPolarHBondContact O-CB 3.49Å; S221-K224 PolarHBondContact O-N 2.96Å; S221-Y225 PolarHBondContact O-N 3.38Å |
| 222 | D | 96.9 | Very high | 96 | Very high | 99 Ų | 99 | 106.2 Ų | 106.2 | 53% | 0.529 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | 177.3 | -72.8 | -10.6 | 0 | 0 | 0 | 111.3 | E218 L219 K224 Y225 V226 | E218-D222 PolarHBondContact O-N 3.28Å; L219-D222 PolarHBondContact O-N 3.09Å; D222-K224 VanDerWaalsContact C-N 3.3Å; D222-K224 PolarHBondContact O-N 3.07Å; D222-Y225 PolarHBondContact O-N 2.97Å; D222-V226 WeakPolarHBondContact O-CG2 3.47Å; D222-V226 PolarHBondContact O-N 3.39Å |
| 223 | Y | 96.8 | Very high | 95.8 | Very high | 173 Ų | 173 | 104.6 Ų | 104.6 | 68% | 0.678 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -57.6 | -44 | 174.2 | 177.3 | -95.8 | 0 | 0 | 0 | 111.8 | L219 V226 S227 | L219-Y223 WeakPolarHBondContact O-CB 3.38Å; L219-Y223 PolarHBondContact O-N 3.49Å; Y223-V226 PolarHBondContact O-N 3.33Å; Y223-S227 VanDerWaalsContact O-CB 3.26Å; Y223-S227 WeakPolarHBondContact O-CB 3.27Å; Y223-S227 PolarHBondContact O-N 3.38Å |
| 224 | K | 96.3 | Very high | 95.4 | Very high | 139 Ų | 139 | 104.4 Ų | 104.4 | 60% | 0.604 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.1 | -46.2 | 177 | -173.9 | -177.6 | 176.9 | -172.7 | 0 | 111.2 | K220 S221 D222 V226 S227 D228 | K220-K224 PolarHBondContact O-N 2.92Å; K220-K224 VanDerWaalsContact O-N 3.13Å; S221-K224 WeakPolarHBondContact O-CB 3.49Å; S221-K224 PolarHBondContact O-N 2.96Å; D222-K224 VanDerWaalsContact C-N 3.3Å; D222-K224 PolarHBondContact O-N 3.07Å; K224-V226 PolarHBondContact O-N 2.9Å; K224-S227 PolarHBondContact O-N 2.92Å; K224-D228 PolarHBondContact O-N 3.48Å |
| 225 | Y | 96.7 | Very high | 95.1 | Very high | 150 Ų | 150 | 103.5 Ų | 103.5 | 59% | 0.588 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58.6 | -47.9 | 177.2 | 175.4 | -95 | 0 | 0 | 0 | 112.1 | S221 D222 D228 K229 | S221-Y225 PolarHBondContact O-N 3.38Å; D222-Y225 PolarHBondContact O-N 2.97Å; Y225-D228 PolarHBondContact O-N 3.3Å; Y225-K229 HydrophobicContact CD1-CG 4.48Å; Y225-K229 HydrophobicContact CE1-CG 4Å; Y225-K229 HydrophobicContact CE2-CG 4.4Å; Y225-K229 PolarHBondContact O-N 3.49Å |
| 226 | V | 96.2 | Very high | 94.8 | Very high | 89 Ų | 89 | 105.3 Ų | 105.3 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 178.1 | 172.5 | 0 | 0 | 0 | 0 | 111 | D222 Y223 K224 D228 K229 M230 | D222-V226 WeakPolarHBondContact O-CG2 3.47Å; D222-V226 PolarHBondContact O-N 3.39Å; Y223-V226 PolarHBondContact O-N 3.33Å; K224-V226 PolarHBondContact O-N 2.9Å; V226-D228 PolarHBondContact O-N 3.48Å; V226-K229 PolarHBondContact O-N 3.3Å; V226-M230 WeakPolarHBondContact O-CB 3.43Å; V226-M230 PolarHBondContact O-N 2.99Å |
| 227 | S | 93.9 | Very high | 94.3 | Very high | 36 Ų | 36 | 100.2 Ų | 100.2 | 25% | 0.252 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60 | -44.5 | 176.8 | -175.1 | 0 | 0 | 0 | 0 | 111.8 | Y223 K224 M230 K231 | Y223-S227 VanDerWaalsContact O-CB 3.26Å; Y223-S227 WeakPolarHBondContact O-CB 3.27Å; Y223-S227 PolarHBondContact O-N 3.38Å; K224-S227 PolarHBondContact O-N 2.92Å; S227-M230 PolarHBondContact O-N 3.4Å; S227-K231 WeakPolarHBondContact O-CG 3.47Å; S227-K231 PolarHBondContact O-N 2.96Å |
| 228 | D | 95.4 | Very high | 93.8 | Very high | 76 Ų | 76 | 100.3 Ų | 100.3 | 41% | 0.406 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.8 | -40 | 178.4 | -70.7 | -21.7 | 0 | 0 | 0 | 111.5 | K224 Y225 V226 M230 K231 E232 | K224-D228 PolarHBondContact O-N 3.48Å; Y225-D228 PolarHBondContact O-N 3.3Å; V226-D228 PolarHBondContact O-N 3.48Å; D228-M230 VanDerWaalsContact C-N 3.34Å; D228-M230 PolarHBondContact O-N 3.1Å; D228-K231 PolarHBondContact O-N 3.45Å; D228-K231 IonicContact OD1-NZ 3.85Å; D228-E232 PolarHBondContact O-N 3.29Å |
| 229 | K | 95.2 | Very high | 93.4 | Very high | 93 Ų | 93 | 100 Ų | 100 | 40% | 0.404 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.3 | -38.4 | 172.6 | -82.1 | -73.4 | 166.1 | -157.3 | 0 | 113 | Y225 V226 E232 L233 | Y225-K229 HydrophobicContact CD1-CG 4.48Å; Y225-K229 HydrophobicContact CE1-CG 4Å; Y225-K229 HydrophobicContact CE2-CG 4.4Å; Y225-K229 PolarHBondContact O-N 3.49Å; V226-K229 PolarHBondContact O-N 3.3Å; K229-E232 IonicContact NZ-OE1 2.74Å; K229-E232 IonicContact NZ-OE2 2.7Å; K229-E232 PolarHBondContact NZ-OE2 2.75Å; K229-E232 PolarHBondContact O-N 3.02Å; K229-L233 WeakPolarHBondContact O-CB 3.36Å; K229-L233 PolarHBondContact O-N 3.41Å |
| 230 | M | 92.4 | Very high | 92.9 | Very high | 129 Ų | 129 | 99 Ų | 99 | 64% | 0.635 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.4 | -38.3 | 176.9 | -169.1 | 171.2 | -178.9 | 0 | 0 | 111.5 | V226 S227 D228 T234 | V226-M230 WeakPolarHBondContact O-CB 3.43Å; V226-M230 PolarHBondContact O-N 2.99Å; S227-M230 PolarHBondContact O-N 3.4Å; D228-M230 VanDerWaalsContact C-N 3.34Å; D228-M230 PolarHBondContact O-N 3.1Å; M230-T234 WeakPolarHBondContact O-CB 3.28Å; M230-T234 PolarHBondContact O-N 2.78Å; M230-T234 PolarHBondContact O-OG1 2.99Å |
| 231 | K | 92.8 | Very high | 92.2 | Very high | 119 Ų | 119 | 96.2 Ų | 96.2 | 52% | 0.517 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 172.9 | -69.7 | 171.3 | -169.7 | 160.6 | 0 | 112.1 | S227 D228 T234 N235 | S227-K231 WeakPolarHBondContact O-CG 3.47Å; S227-K231 PolarHBondContact O-N 2.96Å; D228-K231 PolarHBondContact O-N 3.45Å; D228-K231 IonicContact OD1-NZ 3.85Å; K231-T234 PolarHBondContact O-N 2.65Å; K231-N235 PolarHBondContact O-N 3.4Å; K231-N235 PolarHBondContact O-ND2 3.44Å |
| 232 | E | 94.2 | Very high | 91.6 | Very high | 98 Ų | 98 | 98.7 Ų | 98.7 | 46% | 0.458 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.5 | -49.7 | 175.5 | -173.4 | -176.5 | 178.8 | 0 | 0 | 110.8 | D228 K229 T234 N235 E236 | D228-E232 PolarHBondContact O-N 3.29Å; K229-E232 IonicContact NZ-OE1 2.74Å; K229-E232 IonicContact NZ-OE2 2.7Å; K229-E232 PolarHBondContact NZ-OE2 2.75Å; K229-E232 PolarHBondContact O-N 3.02Å; E232-T234 VanDerWaalsContact C-N 3.33Å; E232-T234 PolarHBondContact O-N 3.02Å; E232-N235 WeakPolarHBondContact O-CB 3.48Å; E232-N235 PolarHBondContact O-N 3.34Å; E232-N235 VanDerWaalsContact O-N 3.12Å; E232-E236 PolarHBondContact O-N 2.84Å |
| 233 | L | 92.4 | Very high | 91 | Very high | 125 Ų | 125 | 96.7 Ų | 96.7 | 65% | 0.654 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.8 | -40.9 | 178.7 | -173.3 | 66.2 | 0 | 0 | 0 | 112.1 | K229 N235 E236 L237 | K229-L233 WeakPolarHBondContact O-CB 3.36Å; K229-L233 PolarHBondContact O-N 3.41Å; L233-N235 VanDerWaalsContact C-N 3.31Å; L233-N235 PolarHBondContact O-N 2.93Å; L233-E236 PolarHBondContact O-N 3.42Å; L233-L237 WeakPolarHBondContact O-CB 3.45Å; L233-L237 PolarHBondContact O-N 2.97Å |
| 234 | T | 88.3 | Confident | 89.8 | Confident | 45 Ų | 45 | 90.4 Ų | 90.4 | 28% | 0.276 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 175.5 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | M230 K231 E232 L237 R238 L274 | M230-T234 WeakPolarHBondContact O-CB 3.28Å; M230-T234 PolarHBondContact O-N 2.78Å; M230-T234 PolarHBondContact O-OG1 2.99Å; K231-T234 PolarHBondContact O-N 2.65Å; E232-T234 VanDerWaalsContact C-N 3.33Å; E232-T234 PolarHBondContact O-N 3.02Å; T234-L237 PolarHBondContact O-N 2.88Å; T234-R238 WeakPolarHBondContact O-CB 3.34Å; T234-R238 PolarHBondContact O-N 2.97Å; T234-L274 HydrophobicContact CG2-CD2 4.45Å |
| 235 | N | 90.2 | Very high | 88.8 | Confident | 78 Ų | 78 | 88.3 Ų | 88.3 | 42% | 0.417 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.6 | -42.4 | 176.5 | -73.9 | -24.5 | 0 | 0 | 0 | 112.3 | K231 E232 L233 L237 R238 K239 | K231-N235 PolarHBondContact O-N 3.4Å; K231-N235 PolarHBondContact O-ND2 3.44Å; E232-N235 WeakPolarHBondContact O-CB 3.48Å; E232-N235 PolarHBondContact O-N 3.34Å; E232-N235 VanDerWaalsContact O-N 3.12Å; L233-N235 VanDerWaalsContact C-N 3.31Å; L233-N235 PolarHBondContact O-N 2.93Å; N235-L237 VanDerWaalsContact C-N 3.34Å; N235-R238 WeakPolarHBondContact O-CB 3.38Å; N235-R238 PolarHBondContact O-N 3.02Å; N235-R238 PolarHBondContact OD1-NH1 2.82Å; N235-K239 WeakPolarHBondContact O-CG 3.33Å; N235-K239 PolarHBondContact O-N 2.92Å |
| 236 | E | 91.5 | Very high | 87.9 | Confident | 90 Ų | 90 | 85.5 Ų | 85.5 | 42% | 0.421 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 175.3 | -70.6 | -52.6 | 129.6 | 0 | 0 | 111.7 | E232 L233 R238 K239 L240 | E232-E236 PolarHBondContact O-N 2.84Å; L233-E236 PolarHBondContact O-N 3.42Å; E236-R238 VanDerWaalsContact C-N 3.3Å; E236-R238 PolarHBondContact O-N 2.96Å; E236-K239 PolarHBondContact O-N 3.17Å; E236-K239 IonicContact OE1-NZ 2.94Å; E236-K239 PolarHBondContact OE1-NZ 3.43Å; E236-L240 WeakPolarHBondContact O-CB 3.46Å; E236-L240 PolarHBondContact O-N 3.31Å |
| 237 | L | 86 | Confident | 86.7 | Confident | 39 Ų | 39 | 85 Ų | 85 | 20% | 0.204 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63.6 | -37.2 | 175.3 | -170.1 | 55.2 | 0 | 0 | 0 | 111.8 | L233 T234 N235 L240 K241 L268 C271 L274 | L233-L237 WeakPolarHBondContact O-CB 3.45Å; L233-L237 PolarHBondContact O-N 2.97Å; T234-L237 PolarHBondContact O-N 2.88Å; N235-L237 VanDerWaalsContact C-N 3.34Å; L237-L240 PolarHBondContact O-N 2.96Å; L237-K241 WeakPolarHBondContact O-CB 3.19Å; L237-K241 PolarHBondContact O-N 2.86Å; L237-L268 HydrophobicContact CD1-CD2 4.33Å; L237-C271 HydrophobicContact CD2-CB 4.35Å; L237-L274 HydrophobicContact CB-CD2 4.13Å; L237-L274 HydrophobicContact CD2-CD1 3.56Å; L237-L274 HydrophobicContact CD2-CD2 3.88Å; L237-L274 HydrophobicContact CD2-CG 3.97Å; L237-L274 HydrophobicContact CG-CD1 3.78Å; L237-L274 HydrophobicContact CG-CD2 3.82Å; L237-L274 HydrophobicContact CG-CG 4.3Å |
| 238 | R | 86.6 | Confident | 85.5 | Confident | 92 Ų | 92 | 90.5 Ų | 90.5 | 35% | 0.347 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.5 | -44.2 | 173.1 | -169.6 | -177.2 | -67.3 | 114.3 | -3.4 | 112.1 | T234 N235 E236 L240 K241 F242 | T234-R238 WeakPolarHBondContact O-CB 3.34Å; T234-R238 PolarHBondContact O-N 2.97Å; N235-R238 WeakPolarHBondContact O-CB 3.38Å; N235-R238 PolarHBondContact O-N 3.02Å; N235-R238 PolarHBondContact OD1-NH1 2.82Å; E236-R238 VanDerWaalsContact C-N 3.3Å; E236-R238 PolarHBondContact O-N 2.96Å; R238-L240 VanDerWaalsContact C-N 3.34Å; R238-L240 PolarHBondContact O-N 2.93Å; R238-K241 WeakPolarHBondContact O-CB 3.28Å; R238-K241 PolarHBondContact O-N 3.49Å; R238-F242 HydrophobicContact CG-CD2 4.02Å; R238-F242 HydrophobicContact CG-CE2 3.64Å; R238-F242 WeakPolarHBondContact O-CD2 3.33Å; R238-F242 PolarHBondContact O-N 3.07Å |
| 239 | K | 89.4 | Confident | 84.2 | Confident | 122 Ų | 122 | 95.9 Ų | 95.9 | 53% | 0.53 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 174.6 | -71.1 | 174.6 | -172.6 | 167.5 | 0 | 111.4 | N235 E236 K241 F242 A243 | N235-K239 WeakPolarHBondContact O-CG 3.33Å; N235-K239 PolarHBondContact O-N 2.92Å; E236-K239 PolarHBondContact O-N 3.17Å; E236-K239 IonicContact OE1-NZ 2.94Å; E236-K239 PolarHBondContact OE1-NZ 3.43Å; K239-K241 PolarHBondContact O-N 3.33Å; K239-F242 PolarHBondContact O-N 2.88Å; K239-A243 WeakPolarHBondContact O-CB 3.49Å; K239-A243 PolarHBondContact O-N 2.91Å |
| 240 | L | 85.9 | Confident | 82.8 | Confident | 97 Ų | 97 | 95.8 Ų | 95.8 | 51% | 0.508 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 176.9 | -174.7 | 64.6 | 0 | 0 | 0 | 111.7 | E236 L237 R238 F242 A243 L244 L264 | E236-L240 WeakPolarHBondContact O-CB 3.46Å; E236-L240 PolarHBondContact O-N 3.31Å; L237-L240 PolarHBondContact O-N 2.96Å; R238-L240 VanDerWaalsContact C-N 3.34Å; R238-L240 PolarHBondContact O-N 2.93Å; L240-F242 PolarHBondContact O-N 3.46Å; L240-A243 PolarHBondContact O-N 2.86Å; L240-L244 WeakPolarHBondContact O-CB 3.48Å; L240-L244 PolarHBondContact O-N 3.27Å; L240-L264 HydrophobicContact CD2-CD2 4.5Å; L240-L264 HydrophobicContact CG-CD2 4.42Å |
| 241 | K | 82.7 | Confident | 81.1 | Confident | 65 Ų | 65 | 91 Ų | 91 | 28% | 0.283 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -57.1 | -46.8 | 173.2 | -177.1 | -179.8 | 178.7 | 177.8 | 0 | 111.1 | L237 R238 K239 L244 M245 D275 | L237-K241 WeakPolarHBondContact O-CB 3.19Å; L237-K241 PolarHBondContact O-N 2.86Å; R238-K241 WeakPolarHBondContact O-CB 3.28Å; R238-K241 PolarHBondContact O-N 3.49Å; K239-K241 PolarHBondContact O-N 3.33Å; K241-L244 PolarHBondContact O-N 3.48Å; K241-M245 WeakPolarHBondContact O-CG 3.21Å; K241-M245 PolarHBondContact O-N 3Å; K241-D275 IonicContact NZ-OD1 3.54Å; K241-D275 PolarHBondContact NZ-OD1 3.15Å; K241-D275 VanDerWaalsContact NZ-OD1 3.13Å |
| 242 | F | 84.5 | Confident | 79.2 | Confident | 118 Ų | 118 | 91.5 Ų | 91.5 | 52% | 0.518 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.1 | -46 | 177.5 | -76 | -61.9 | 0 | 0 | 0 | 112.9 | R238 K239 L240 L244 M245 D246 | R238-F242 HydrophobicContact CG-CD2 4.02Å; R238-F242 HydrophobicContact CG-CE2 3.64Å; R238-F242 WeakPolarHBondContact O-CD2 3.33Å; R238-F242 PolarHBondContact O-N 3.07Å; K239-F242 PolarHBondContact O-N 2.88Å; L240-F242 PolarHBondContact O-N 3.46Å; F242-L244 PolarHBondContact O-N 3.33Å; F242-M245 WeakPolarHBondContact O-CB 3.17Å; F242-M245 PolarHBondContact O-N 3.39Å; F242-D246 PolarHBondContact O-N 2.87Å |
| 243 | A | 82.9 | Confident | 77.4 | Confident | 57 Ų | 57 | 95.3 Ų | 95.3 | 47% | 0.471 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58 | -37.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | K239 L240 D246 L247 | K239-A243 WeakPolarHBondContact O-CB 3.49Å; K239-A243 PolarHBondContact O-N 2.91Å; L240-A243 PolarHBondContact O-N 2.86Å; A243-D246 PolarHBondContact O-N 3.27Å; A243-L247 WeakPolarHBondContact O-CB 3.41Å; A243-L247 PolarHBondContact O-N 2.92Å |
| 244 | L | 71.3 | Confident | 75.9 | Confident | 41 Ų | 41 | 96.8 Ų | 96.8 | 22% | 0.215 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -67.6 | -41 | 174 | -170.3 | 76.1 | 0 | 0 | 0 | 112.5 | L240 K241 F242 D246 L247 K248 I260 L264 | L240-L244 WeakPolarHBondContact O-CB 3.48Å; L240-L244 PolarHBondContact O-N 3.27Å; K241-L244 PolarHBondContact O-N 3.48Å; F242-L244 PolarHBondContact O-N 3.33Å; L244-D246 VanDerWaalsContact C-N 3.31Å; L244-D246 PolarHBondContact O-N 2.89Å; L244-L247 PolarHBondContact O-N 2.99Å; L244-K248 WeakPolarHBondContact O-CB 3.44Å; L244-K248 PolarHBondContact O-N 3.27Å; L244-I260 HydrophobicContact CD1-CG2 4.49Å; L244-L264 HydrophobicContact CB-CD2 4.35Å; L244-L264 HydrophobicContact CD1-CD1 4.23Å; L244-L264 HydrophobicContact CD1-CD2 4.08Å; L244-L264 HydrophobicContact CD2-CB 3.93Å; L244-L264 HydrophobicContact CD2-CD2 3.5Å; L244-L264 VanDerWaalsContact CD2-CD2 3.5Å; L244-L264 HydrophobicContact CD2-CG 4.21Å; L244-L264 HydrophobicContact CG-CD2 4.15Å |
| 245 | M | 77.2 | Confident | 74.7 | Confident | 96 Ų | 96 | 100 Ų | 100 | 47% | 0.473 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.8 | -39.2 | 176 | -73 | -178.2 | 76.1 | 0 | 0 | 111.7 | K241 F242 K248 R249 | K241-M245 WeakPolarHBondContact O-CG 3.21Å; K241-M245 PolarHBondContact O-N 3Å; F242-M245 WeakPolarHBondContact O-CB 3.17Å; F242-M245 PolarHBondContact O-N 3.39Å; M245-K248 PolarHBondContact O-N 3.46Å; M245-R249 PolarHBondContact O-N 3.47Å; M245-R249 VanDerWaalsContact O-N 3.14Å |
| 246 | D | 77.9 | Confident | 73.5 | Confident | 90 Ų | 90 | 98.7 Ų | 98.7 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.1 | -39.5 | 174.8 | -73.8 | -22.5 | 0 | 0 | 0 | 111.8 | F242 A243 L244 K248 R249 S250 | F242-D246 PolarHBondContact O-N 2.87Å; A243-D246 PolarHBondContact O-N 3.27Å; L244-D246 VanDerWaalsContact C-N 3.31Å; L244-D246 PolarHBondContact O-N 2.89Å; D246-K248 VanDerWaalsContact C-N 3.32Å; D246-K248 PolarHBondContact O-N 3.23Å; D246-R249 WeakPolarHBondContact O-CB 3.21Å; D246-R249 PolarHBondContact O-N 2.94Å; D246-R249 VanDerWaalsContact O-N 3.14Å; D246-R249 IonicContact OD1-NH1 3.83Å; D246-S250 PolarHBondContact O-N 3.47Å; D246-S250 PolarHBondContact O-OG 2.85Å |
| 247 | L | 70.8 | Confident | 72.4 | Confident | 79 Ų | 79 | 96.7 Ų | 96.7 | 41% | 0.414 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.5 | -40 | 172.7 | -172.8 | 65.6 | 0 | 0 | 0 | 111.8 | A243 L244 R249 S250 S251 | A243-L247 WeakPolarHBondContact O-CB 3.41Å; A243-L247 PolarHBondContact O-N 2.92Å; L244-L247 PolarHBondContact O-N 2.99Å; L247-R249 VanDerWaalsContact C-N 3.28Å; L247-R249 PolarHBondContact O-N 2.97Å; L247-S250 WeakPolarHBondContact CA-OG 3.33Å; L247-S250 PolarHBondContact O-N 2.73Å; L247-S250 PolarHBondContact O-OG 2.89Å; L247-S250 VanDerWaalsContact O-OG 3.09Å; L247-S251 VanDerWaalsContact O-CB 3.31Å; L247-S251 WeakPolarHBondContact O-CB 3.47Å; L247-S251 PolarHBondContact O-N 2.82Å; L247-S251 PolarHBondContact O-OG 2.9Å |
| 248 | K | 67.5 | Low | 71.5 | Confident | 151 Ų | 151 | 103.8 Ų | 103.8 | 66% | 0.657 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.5 | -33.5 | 175.4 | -175.3 | -175.5 | 175.6 | -169.9 | 0 | 112.1 | L244 M245 D246 | L244-K248 WeakPolarHBondContact O-CB 3.44Å; L244-K248 PolarHBondContact O-N 3.27Å; M245-K248 PolarHBondContact O-N 3.46Å; D246-K248 VanDerWaalsContact C-N 3.32Å; D246-K248 PolarHBondContact O-N 3.23Å |
| 249 | R | 67.7 | Low | 70.7 | Confident | 189 Ų | 189 | 105 Ų | 105 | 71% | 0.713 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -73 | -38 | 174.7 | -79.5 | 179.6 | 175 | 154.5 | -4.7 | 112.4 | M245 D246 L247 | M245-R249 PolarHBondContact O-N 3.47Å; M245-R249 VanDerWaalsContact O-N 3.14Å; D246-R249 WeakPolarHBondContact O-CB 3.21Å; D246-R249 PolarHBondContact O-N 2.94Å; D246-R249 VanDerWaalsContact O-N 3.14Å; D246-R249 IonicContact OD1-NH1 3.83Å; L247-R249 VanDerWaalsContact C-N 3.28Å; L247-R249 PolarHBondContact O-N 2.97Å |
| 250 | S | 65.9 | Low | 69.8 | Low | 92 Ų | 92 | 103.1 Ų | 103.1 | 64% | 0.643 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -81.3 | -25.9 | -178 | 58.8 | 0 | 0 | 0 | 0 | 113.6 | D246 L247 | D246-S250 PolarHBondContact O-N 3.47Å; D246-S250 PolarHBondContact O-OG 2.85Å; L247-S250 WeakPolarHBondContact CA-OG 3.33Å; L247-S250 PolarHBondContact O-N 2.73Å; L247-S250 PolarHBondContact O-OG 2.89Å; L247-S250 VanDerWaalsContact O-OG 3.09Å |
| 251 | S | 56.4 | Low | 69 | Low | 27 Ų | 27 | 103.1 Ų | 103.1 | 19% | 0.189 | 52% | 0.518 | C | S | . | . | trans | -105.7 | 69.7 | -176.6 | 66.9 | 0 | 0 | 0 | 0 | 113.5 | L247 I257 | L247-S251 VanDerWaalsContact O-CB 3.31Å; L247-S251 WeakPolarHBondContact O-CB 3.47Å; L247-S251 PolarHBondContact O-N 2.82Å; L247-S251 PolarHBondContact O-OG 2.9Å; S251-I257 WeakPolarHBondContact OG-CD1 3.32Å | ||
| 252 | L | 54.7 | Low | 68.6 | Low | 130 Ų | 130 | 104.5 Ų | 104.5 | 68% | 0.681 | 53% | 0.528 | S | S | * | . | trans | -66.5 | 130.5 | 146.4 | -81.7 | 104.2 | 0 | 0 | 0 | 107.1 | ||||
| 253 | F | 55.9 | Low | 68.2 | Low | 179 Ų | 179 | 103.3 Ų | 103.3 | 79% | 0.785 | 53% | 0.526 | S | S | * | . | S | Bend | trans | 110.9 | 7.2 | 159.4 | -62.7 | -79 | 0 | 0 | 0 | 122.8 | ||
| 254 | F | 60.1 | Low | 67.5 | Low | 155 Ų | 155 | 102 Ų | 102 | 68% | 0.68 | 51% | 0.511 | S | S | * | . | trans | -121.8 | 125.2 | 175.7 | -74.6 | -80.7 | 0 | 0 | 0 | 116.2 | G256 I257 | F254-G256 VanDerWaalsContact C-N 3.27Å; F254-G256 PolarHBondContact O-N 2.88Å; F254-I257 HydrophobicContact CB-CD1 3.86Å; F254-I257 HydrophobicContact CB-CG1 4.02Å; F254-I257 WeakPolarHBondContact O-CB 3.48Å; F254-I257 PolarHBondContact O-N 2.76Å | ||
| 255 | P | 62.7 | Low | 67.4 | Low | 113 Ų | 113 | 103.2 Ų | 103.2 | 73% | 0.734 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -31.7 | 175.9 | -26.3 | 34.1 | 0 | 0 | 0 | 114.9 | I257 R258 | P255-I257 PolarHBondContact O-N 3.01Å; P255-R258 WeakPolarHBondContact O-CB 3.27Å; P255-R258 PolarHBondContact O-N 2.9Å |
| 256 | G | 65.8 | Low | 67.4 | Low | 50 Ų | 50 | 106.1 Ų | 106.1 | 52% | 0.515 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.6 | -23.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | F254 R258 L259 | F254-G256 VanDerWaalsContact C-N 3.27Å; F254-G256 PolarHBondContact O-N 2.88Å; G256-R258 VanDerWaalsContact C-N 3.29Å; G256-R258 PolarHBondContact O-N 3.45Å; G256-L259 PolarHBondContact O-N 2.82Å |
| 257 | I | 67.7 | Low | 67.1 | Low | 48 Ų | 48 | 106.2 Ų | 106.2 | 25% | 0.246 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -75.7 | -23.2 | -179.1 | -55.6 | -179.1 | 0 | 0 | 0 | 111 | S251 F254 P255 K261 | S251-I257 WeakPolarHBondContact OG-CD1 3.32Å; F254-I257 HydrophobicContact CB-CD1 3.86Å; F254-I257 HydrophobicContact CB-CG1 4.02Å; F254-I257 WeakPolarHBondContact O-CB 3.48Å; F254-I257 PolarHBondContact O-N 2.76Å; P255-I257 PolarHBondContact O-N 3.01Å; I257-K261 WeakPolarHBondContact O-CB 3.18Å; I257-K261 PolarHBondContact O-N 3.48Å |
| 258 | R | 67.1 | Low | 67 | Low | 188 Ų | 188 | 104.4 Ų | 104.4 | 71% | 0.709 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.8 | -39.2 | 176.1 | -156.7 | 176.2 | -165.5 | 165.6 | 4.1 | 111.8 | P255 G256 K261 D262 | P255-R258 WeakPolarHBondContact O-CB 3.27Å; P255-R258 PolarHBondContact O-N 2.9Å; G256-R258 VanDerWaalsContact C-N 3.29Å; G256-R258 PolarHBondContact O-N 3.45Å; R258-K261 WeakPolarHBondContact O-CB 3.17Å; R258-K261 PolarHBondContact O-N 2.92Å; R258-D262 PolarHBondContact O-N 2.91Å |
| 259 | L | 69.7 | Low | 67 | Low | 119 Ų | 119 | 101.3 Ų | 101.3 | 62% | 0.623 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.4 | -43.6 | 177.6 | -166.3 | 77 | 0 | 0 | 0 | 111.5 | G256 K261 D262 I263 | G256-L259 PolarHBondContact O-N 2.82Å; L259-K261 VanDerWaalsContact C-N 3.3Å; L259-K261 PolarHBondContact O-N 3.31Å; L259-D262 PolarHBondContact O-N 3.15Å; L259-I263 HydrophobicContact CG-CD1 4.27Å; L259-I263 WeakPolarHBondContact O-CG1 3.48Å; L259-I263 PolarHBondContact O-N 2.73Å |
| 260 | I | 71.3 | Confident | 67.1 | Low | 81 Ų | 81 | 97.7 Ų | 97.7 | 42% | 0.415 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 176.3 | -63.6 | 170.3 | 0 | 0 | 0 | 110.3 | L244 I263 L264 | L244-I260 HydrophobicContact CD1-CG2 4.49Å; I260-I263 PolarHBondContact O-N 3.43Å; I260-L264 HydrophobicContact CG2-CD1 3.86Å; I260-L264 WeakPolarHBondContact O-CB 3.03Å; I260-L264 WeakPolarHBondContact O-CD1 3.29Å; I260-L264 PolarHBondContact O-N 3.22Å |
| 261 | K | 69.4 | Low | 66.7 | Low | 98 Ų | 98 | 96 Ų | 96 | 43% | 0.426 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.6 | -46.4 | 175 | -179.8 | -167.4 | 167.2 | -164.2 | 0 | 112 | I257 R258 L259 L264 C265 | I257-K261 WeakPolarHBondContact O-CB 3.18Å; I257-K261 PolarHBondContact O-N 3.48Å; R258-K261 WeakPolarHBondContact O-CB 3.17Å; R258-K261 PolarHBondContact O-N 2.92Å; L259-K261 VanDerWaalsContact C-N 3.3Å; L259-K261 PolarHBondContact O-N 3.31Å; K261-L264 PolarHBondContact O-N 2.96Å; K261-C265 WeakPolarHBondContact O-CB 2.98Å; K261-C265 PolarHBondContact O-N 3.42Å; K261-C265 PolarHBondContact O-SG 2.99Å |
| 262 | D | 73.2 | Confident | 66.8 | Low | 94 Ų | 94 | 99.7 Ų | 99.7 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.6 | -38.9 | -177.7 | -71.2 | -13.8 | 0 | 0 | 0 | 111.8 | R258 L259 K266 | R258-D262 PolarHBondContact O-N 2.91Å; L259-D262 PolarHBondContact O-N 3.15Å; D262-K266 WeakPolarHBondContact O-CB 3.4Å; D262-K266 PolarHBondContact O-N 3.03Å; D262-K266 VanDerWaalsContact O-N 3.1Å |
| 263 | I | 76.6 | Confident | 67 | Low | 92 Ų | 92 | 100.3 Ų | 100.3 | 47% | 0.472 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 173.7 | -65.7 | 167 | 0 | 0 | 0 | 110.5 | L259 I260 K266 I267 | L259-I263 HydrophobicContact CG-CD1 4.27Å; L259-I263 WeakPolarHBondContact O-CG1 3.48Å; L259-I263 PolarHBondContact O-N 2.73Å; I260-I263 PolarHBondContact O-N 3.43Å; I263-K266 WeakPolarHBondContact O-CB 3.28Å; I263-K266 PolarHBondContact O-N 3.47Å; I263-I267 HydrophobicContact CG2-CD1 3.87Å; I263-I267 WeakPolarHBondContact O-CG1 3.27Å; I263-I267 PolarHBondContact O-N 2.92Å |
| 264 | L | 67.7 | Low | 66.8 | Low | 30 Ų | 30 | 92.9 Ų | 92.9 | 16% | 0.157 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -69.4 | -38.9 | 179.3 | -102.1 | 104.4 | 0 | 0 | 0 | 113.4 | L240 L244 I260 K261 K266 I267 L268 | L240-L264 HydrophobicContact CD2-CD2 4.5Å; L240-L264 HydrophobicContact CG-CD2 4.42Å; L244-L264 HydrophobicContact CB-CD2 4.35Å; L244-L264 HydrophobicContact CD1-CD1 4.23Å; L244-L264 HydrophobicContact CD1-CD2 4.08Å; L244-L264 HydrophobicContact CD2-CB 3.93Å; L244-L264 HydrophobicContact CD2-CD2 3.5Å; L244-L264 VanDerWaalsContact CD2-CD2 3.5Å; L244-L264 HydrophobicContact CD2-CG 4.21Å; L244-L264 HydrophobicContact CG-CD2 4.15Å; I260-L264 HydrophobicContact CG2-CD1 3.86Å; I260-L264 WeakPolarHBondContact O-CB 3.03Å; I260-L264 WeakPolarHBondContact O-CD1 3.29Å; I260-L264 PolarHBondContact O-N 3.22Å; K261-L264 PolarHBondContact O-N 2.96Å; L264-K266 PolarHBondContact O-N 3.29Å; L264-I267 PolarHBondContact O-N 3.39Å; L264-L268 WeakPolarHBondContact O-CB 3.34Å; L264-L268 VanDerWaalsContact O-CG 3.31Å; L264-L268 WeakPolarHBondContact O-CG 3.38Å; L264-L268 PolarHBondContact O-N 2.94Å |
| 265 | C | 70.3 | Confident | 66.2 | Low | 67 Ų | 67 | 91.5 Ų | 91.5 | 45% | 0.453 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.2 | -35.9 | 173.3 | -78.9 | 0 | 0 | 0 | 0 | 111.1 | K261 S269 | K261-C265 WeakPolarHBondContact O-CB 2.98Å; K261-C265 PolarHBondContact O-N 3.42Å; K261-C265 PolarHBondContact O-SG 2.99Å; C265-S269 WeakPolarHBondContact O-CB 3.34Å; C265-S269 PolarHBondContact O-N 3.21Å |
| 266 | K | 76.6 | Confident | 65.2 | Low | 157 Ų | 157 | 89.1 Ų | 89.1 | 68% | 0.683 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.7 | -43.8 | 175.5 | -153.2 | 169.3 | -173.2 | 178.5 | 0 | 111.9 | D262 I263 L264 S269 V270 | D262-K266 WeakPolarHBondContact O-CB 3.4Å; D262-K266 PolarHBondContact O-N 3.03Å; D262-K266 VanDerWaalsContact O-N 3.1Å; I263-K266 WeakPolarHBondContact O-CB 3.28Å; I263-K266 PolarHBondContact O-N 3.47Å; L264-K266 PolarHBondContact O-N 3.29Å; K266-S269 PolarHBondContact O-N 2.91Å; K266-S269 PolarHBondContact O-OG 3.23Å; K266-V270 WeakPolarHBondContact O-CG2 3.43Å; K266-V270 PolarHBondContact O-N 3.41Å |
| 267 | I | 72.2 | Confident | 63.9 | Low | 91 Ų | 91 | 96.8 Ų | 96.8 | 47% | 0.467 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 175.5 | -66.2 | 165.7 | 0 | 0 | 0 | 111.1 | I263 L264 S269 V270 | I263-I267 HydrophobicContact CG2-CD1 3.87Å; I263-I267 WeakPolarHBondContact O-CG1 3.27Å; I263-I267 PolarHBondContact O-N 2.92Å; L264-I267 PolarHBondContact O-N 3.39Å; I267-S269 VanDerWaalsContact C-N 3.33Å; I267-S269 PolarHBondContact O-N 2.77Å; I267-V270 PolarHBondContact O-N 2.89Å |
| 268 | L | 67.6 | Low | 63.7 | Low | 42 Ų | 42 | 99.3 Ų | 99.3 | 22% | 0.22 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -67.5 | -31.3 | 177.3 | -70.4 | 169.1 | 0 | 0 | 0 | 112.4 | L237 L264 V270 C271 L274 | L237-L268 HydrophobicContact CD1-CD2 4.33Å; L264-L268 WeakPolarHBondContact O-CB 3.34Å; L264-L268 VanDerWaalsContact O-CG 3.31Å; L264-L268 WeakPolarHBondContact O-CG 3.38Å; L264-L268 PolarHBondContact O-N 2.94Å; L268-V270 PolarHBondContact O-N 3.46Å; L268-C271 PolarHBondContact O-N 3.26Å; L268-L274 HydrophobicContact CD2-CD1 3.58Å |
| 269 | S | 68.9 | Low | 63.5 | Low | 86 Ų | 86 | 94.6 Ų | 94.6 | 60% | 0.601 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.5 | -21.6 | 176 | 76.6 | 0 | 0 | 0 | 0 | 113.9 | C265 K266 I267 C271 | C265-S269 WeakPolarHBondContact O-CB 3.34Å; C265-S269 PolarHBondContact O-N 3.21Å; K266-S269 PolarHBondContact O-N 2.91Å; K266-S269 PolarHBondContact O-OG 3.23Å; I267-S269 VanDerWaalsContact C-N 3.33Å; I267-S269 PolarHBondContact O-N 2.77Å; S269-C271 VanDerWaalsContact C-N 3.35Å |
| 270 | V | 68.8 | Low | 63.2 | Low | 112 Ų | 112 | 93.2 Ų | 93.2 | 68% | 0.679 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -82.9 | -16.4 | 178.4 | 175.4 | 0 | 0 | 0 | 0 | 111.6 | K266 I267 L268 P272 | K266-V270 WeakPolarHBondContact O-CG2 3.43Å; K266-V270 PolarHBondContact O-N 3.41Å; I267-V270 PolarHBondContact O-N 2.89Å; L268-V270 PolarHBondContact O-N 3.46Å; V270-P272 VanDerWaalsContact O-CD 3.24Å; V270-P272 WeakPolarHBondContact O-CD 3.43Å |
| 271 | C | 58.8 | Low | 62.7 | Low | 56 Ų | 56 | 93.9 Ų | 93.9 | 38% | 0.378 | 54% | 0.542 | S | S | . | . | trans | -115.2 | 80.8 | 176.9 | -68.6 | 0 | 0 | 0 | 0 | 110.7 | L237 L268 S269 D273 L274 | L237-C271 HydrophobicContact CD2-CB 4.35Å; L268-C271 PolarHBondContact O-N 3.26Å; S269-C271 VanDerWaalsContact C-N 3.35Å; C271-D273 PolarHBondContact O-N 3.42Å; C271-L274 HydrophobicContact CB-CD1 4.19Å | ||
| 272 | P | 58.6 | Low | 62.3 | Low | 106 Ų | 106 | 93.7 Ų | 93.7 | 69% | 0.688 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -66.2 | -15.7 | -178.8 | 25.3 | -32.8 | 0 | 0 | 0 | 114.3 | V270 L274 | V270-P272 VanDerWaalsContact O-CD 3.24Å; V270-P272 WeakPolarHBondContact O-CD 3.43Å; P272-L274 PolarHBondContact O-N 3.47Å |
| 273 | D | 57.7 | Low | 61.5 | Low | 142 Ų | 142 | 93.7 Ų | 93.7 | 76% | 0.759 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -88.1 | 10.4 | -172.5 | -73.3 | -21.9 | 0 | 0 | 0 | 115.7 | C271 D275 | C271-D273 PolarHBondContact O-N 3.42Å; D273-D275 PolarHBondContact O-N 2.87Å |
| 274 | L | 52.4 | Low | 60.5 | Low | 23 Ų | 23 | 93.8 Ų | 93.8 | 12% | 0.12 | 56% | 0.558 | C | S | . | * | G | 310 helix | trans | -73.3 | -13.1 | 177.6 | -84.5 | 157.8 | 0 | 0 | 0 | 114.6 | T234 L237 L268 C271 P272 | T234-L274 HydrophobicContact CG2-CD2 4.45Å; L237-L274 HydrophobicContact CB-CD2 4.13Å; L237-L274 HydrophobicContact CD2-CD1 3.56Å; L237-L274 HydrophobicContact CD2-CD2 3.88Å; L237-L274 HydrophobicContact CD2-CG 3.97Å; L237-L274 HydrophobicContact CG-CD1 3.78Å; L237-L274 HydrophobicContact CG-CD2 3.82Å; L237-L274 HydrophobicContact CG-CG 4.3Å; L268-L274 HydrophobicContact CD2-CD1 3.58Å; C271-L274 HydrophobicContact CB-CD1 4.19Å; P272-L274 PolarHBondContact O-N 3.47Å |
| 275 | D | 47 | Very low | 59.9 | Low | 127 Ų | 127 | 98.7 Ų | 98.7 | 68% | 0.679 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -97 | 18.2 | -177.8 | -69.7 | -21.3 | 0 | 0 | 0 | 112.9 | K241 D273 V277 | K241-D275 IonicContact NZ-OD1 3.54Å; K241-D275 PolarHBondContact NZ-OD1 3.15Å; K241-D275 VanDerWaalsContact NZ-OD1 3.13Å; D273-D275 PolarHBondContact O-N 2.87Å; D275-V277 PolarHBondContact O-N 2.76Å |
| 276 | G | 42.4 | Very low | 59 | Low | 62 Ų | 62 | 101.3 Ų | 101.3 | 64% | 0.639 | 60% | 0.6 | S | S | * | * | trans | -64.4 | 87.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 277 | V | 37.5 | Very low | 57.4 | Low | 212 Ų | 212 | 96.3 Ų | 96.3 | 100% | 1.285 | 59% | 0.592 | S | S | * | * | trans | -85.7 | 0 | 140.7 | 175.1 | 0 | 0 | 0 | 0 | 107.7 | D275 | D275-V277 PolarHBondContact O-N 2.76Š|
Retrieved 277 of 277 residues in 294.4 ms
(Link to these results)