| 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 | 34 | Very low | 33.8 | Very low | 229 Ų | 229 | 151.9 Ų | 151.9 | 100% | 1.128 | 85% | 0.852 | S | S | * | * | 0 | 78.4 | 0 | -64.4 | 174.6 | 178.9 | 0 | 0 | 104.9 | |||||
| 2 | T | 32.7 | Very low | 33.4 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 76% | 0.755 | 84% | 0.841 | S | S | * | * | 44.8 | 116.2 | 69.9 | 59.9 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 3 | E | 33.9 | Very low | 33.5 | Very low | 174 Ų | 174 | 153.3 Ų | 153.3 | 81% | 0.813 | 85% | 0.85 | S | S | * | * | -156.3 | 126.7 | 63.7 | -78 | 175.6 | 173.8 | 0 | 0 | 110.4 | |||||
| 4 | N | 29.8 | Very low | 33.3 | Very low | 133 Ų | 133 | 148.8 Ų | 148.8 | 71% | 0.711 | 84% | 0.842 | S | S | * | * | 69.2 | 99 | 97 | -71.2 | 6 | 0 | 0 | 0 | 115.2 | |||||
| 5 | F | 32.1 | Very low | 33.3 | Very low | 216 Ų | 216 | 155.1 Ų | 155.1 | 95% | 0.947 | 85% | 0.847 | S | S | * | * | trans | -92.5 | 110.1 | 147.2 | -98.7 | -85.4 | 0 | 0 | 0 | 107.9 | ||||
| 6 | D | 34.6 | Very low | 33.2 | Very low | 149 Ų | 149 | 155.2 Ų | 155.2 | 80% | 0.797 | 84% | 0.844 | S | S | * | * | trans | -69 | 135.8 | 173.4 | -88.7 | -40.3 | 0 | 0 | 0 | 111 | ||||
| 7 | R | 34.8 | Very low | 33.2 | Very low | 235 Ų | 235 | 156.4 Ų | 156.4 | 89% | 0.887 | 84% | 0.839 | S | S | * | * | trans | -99.1 | 150.9 | 174.4 | -171.5 | 178.8 | -171.5 | 144.1 | 2.8 | 109.1 | ||||
| 8 | A | 32.2 | Very low | 33.2 | Very low | 89 Ų | 89 | 154.3 Ų | 154.3 | 74% | 0.736 | 84% | 0.836 | S | S | * | * | trans | 119.4 | 159.8 | 146 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 9 | P | 39.7 | Very low | 33 | Very low | 132 Ų | 132 | 153.5 Ų | 153.5 | 86% | 0.857 | 84% | 0.837 | S | S | * | * | S | Bend | cis | -137.7 | 149.3 | 8.8 | 34.2 | -13.5 | 0 | 0 | 0 | 116.6 | ||
| 10 | G | 30.8 | Very low | 33.2 | Very low | 80 Ų | 80 | 151.4 Ų | 151.4 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | S | Bend | trans | 176.9 | -29.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | G12 | G10-G12 PolarHBondContact O-N 3.44Š|
| 11 | A | 36.8 | Very low | 33.4 | Very low | 111 Ų | 111 | 150.3 Ų | 150.3 | 92% | 0.917 | 83% | 0.834 | S | S | * | * | trans | -92.5 | 89.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 12 | G | 29.8 | Very low | 33.1 | Very low | 70 Ų | 70 | 143.2 Ų | 143.2 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | trans | -176.9 | 67.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G10 | G10-G12 PolarHBondContact O-N 3.44Š| ||
| 13 | R | 34.3 | Very low | 33.1 | Very low | 252 Ų | 252 | 145.4 Ų | 145.4 | 95% | 0.951 | 83% | 0.826 | S | S | * | * | trans | -121.6 | 117.9 | 157 | -81.8 | -170.5 | 174.7 | -175 | 0.2 | 110.4 | ||||
| 14 | A | 30.4 | Very low | 32.9 | Very low | 90 Ų | 90 | 141.8 Ų | 141.8 | 74% | 0.744 | 83% | 0.825 | S | S | * | * | trans | -60.4 | 140.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I16 | A14-I16 PolarHBondContact O-N 3.35Š| ||
| 15 | R | 33 | Very low | 32.9 | Very low | 244 Ų | 244 | 142 Ų | 142 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | trans | -58.8 | 99.2 | 167.7 | -169.9 | 179.9 | -166.8 | 178.1 | 5.4 | 109.6 | ||||
| 16 | I | 31.9 | Very low | 32.9 | Very low | 156 Ų | 156 | 138.5 Ų | 138.5 | 80% | 0.8 | 82% | 0.822 | S | S | * | * | trans | -89.9 | 114 | 166 | -62 | 174.7 | 0 | 0 | 0 | 107 | A14 | A14-I16 PolarHBondContact O-N 3.35Š| ||
| 17 | K | 33.2 | Very low | 32.6 | Very low | 175 Ų | 175 | 134.9 Ų | 134.9 | 76% | 0.761 | 82% | 0.82 | S | S | * | * | trans | -65.8 | 130.9 | 168.6 | -77.1 | 176.2 | 172.7 | 179.3 | 0 | 109.2 | ||||
| 18 | P | 33.6 | Very low | 32.3 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | trans | -84.3 | 116.4 | 155.9 | 24.5 | -14.9 | 0 | 0 | 0 | 109.1 | S20 | P18-S20 PolarHBondContact O-N 3.24Š| ||
| 19 | T | 29.6 | Very low | 32.1 | Very low | 138 Ų | 138 | 130.9 Ų | 130.9 | 85% | 0.847 | 82% | 0.822 | S | S | * | * | trans | -70.8 | 111.9 | 165.9 | -18.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 20 | S | 37.7 | Very low | 31.6 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | trans | -90.6 | 144.7 | 161 | -61.1 | 0 | 0 | 0 | 0 | 109.5 | P18 | P18-S20 PolarHBondContact O-N 3.24Š| ||
| 21 | P | 37.4 | Very low | 31.7 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | trans | -133.4 | 132.8 | 142.4 | 31.2 | -16.5 | 0 | 0 | 0 | 112.1 | ||||
| 22 | G | 27.6 | Very low | 31.3 | Very low | 80 Ų | 80 | 134.4 Ų | 134.4 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | 154.8 | 84.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 23 | L | 31.6 | Very low | 31.4 | Very low | 170 Ų | 170 | 136 Ų | 136 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | trans | -72.9 | 149.9 | 171.7 | -106.1 | 84.6 | 0 | 0 | 0 | 113.2 | ||||
| 24 | A | 30 | Very low | 31.3 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | -179.6 | 93.5 | 128.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 25 | D | 29.7 | Very low | 31.2 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | 42.2 | 113.3 | 81 | -158.8 | 31.5 | 0 | 0 | 0 | 116 | |||||
| 26 | V | 31.3 | Very low | 31.2 | Very low | 141 Ų | 141 | 129.7 Ų | 129.7 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | 178.5 | 128.6 | 120.6 | 168.1 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 27 | G | 28.5 | Very low | 31.1 | Very low | 73 Ų | 73 | 131.2 Ų | 131.2 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | 148.8 | 80.4 | 151.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 28 | D | 29.8 | Very low | 31.2 | Very low | 168 Ų | 168 | 134.6 Ų | 134.6 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | trans | -67.6 | 151.5 | 173.8 | -163.7 | 16.5 | 0 | 0 | 0 | 113.7 | ||||
| 29 | G | 28.1 | Very low | 31.2 | Very low | 73 Ų | 73 | 137.6 Ų | 137.6 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | 173.9 | 100.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 30 | D | 29.3 | Very low | 31.7 | Very low | 157 Ų | 157 | 137.2 Ų | 137.2 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | trans | -55.6 | 145.5 | -176.7 | -92.3 | -41.3 | 0 | 0 | 0 | 118.7 | ||||
| 31 | A | 31.4 | Very low | 31.7 | Very low | 80 Ų | 80 | 140.2 Ų | 140.2 | 66% | 0.661 | 82% | 0.817 | S | S | * | * | trans | 33.9 | 117.6 | 140.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 32 | N | 29 | Very low | 31.8 | Very low | 160 Ų | 160 | 145.6 Ų | 145.6 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | -174.1 | 134.4 | 109.9 | -102.5 | -27.7 | 0 | 0 | 0 | 113.9 | |||||
| 33 | S | 33.1 | Very low | 32.5 | Very low | 103 Ų | 103 | 150.2 Ų | 150.2 | 72% | 0.72 | 82% | 0.821 | S | S | * | * | trans | -58.3 | 126.8 | 168.2 | 151.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 34 | V | 30.6 | Very low | 32.5 | Very low | 114 Ų | 114 | 148 Ų | 148 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | trans | -138.4 | 87 | 155.6 | -172.6 | 0 | 0 | 0 | 0 | 109.3 | N36 | V34-N36 PolarHBondContact O-N 3.1Š| ||
| 35 | F | 29.4 | Very low | 33 | Very low | 200 Ų | 200 | 155.1 Ų | 155.1 | 88% | 0.877 | 82% | 0.823 | S | S | * | * | trans | -58.7 | 108.8 | 155.4 | -111.9 | -99.4 | 0 | 0 | 0 | 108 | ||||
| 36 | N | 31.8 | Very low | 33.1 | Very low | 140 Ų | 140 | 154.6 Ų | 154.6 | 75% | 0.749 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -101 | 127.8 | 167.6 | -95.3 | -31.4 | 0 | 0 | 0 | 110.2 | V34 | V34-N36 PolarHBondContact O-N 3.1Š|
| 37 | Q | 30.4 | Very low | 33.1 | Very low | 188 Ų | 188 | 153.4 Ų | 153.4 | 88% | 0.879 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 132.2 | -168 | -62.9 | 166.2 | 2.1 | 0 | 0 | 111.4 | ||
| 38 | R | 35.1 | Very low | 33.5 | Very low | 246 Ų | 246 | 155.6 Ų | 155.6 | 93% | 0.928 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 131.7 | 167.4 | -76.8 | 179.6 | 171.7 | 169.5 | -2.5 | 109.2 | ||
| 39 | E | 33.9 | Very low | 33.8 | Very low | 183 Ų | 183 | 153.8 Ų | 153.8 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 146.4 | 178 | -69.8 | 176.4 | 136.2 | 0 | 0 | 112.6 | ||
| 40 | P | 41 | Very low | 33.9 | Very low | 129 Ų | 129 | 158.4 Ų | 158.4 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 136.8 | 177 | -15 | 29.4 | 0 | 0 | 0 | 113.1 | ||
| 41 | L | 36.8 | Very low | 34 | Very low | 174 Ų | 174 | 157.4 Ų | 157.4 | 91% | 0.911 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 137.5 | 175.3 | -67.3 | 159.4 | 0 | 0 | 0 | 111.9 | ||
| 42 | R | 39.9 | Very low | 33.9 | Very low | 243 Ų | 243 | 162.6 Ų | 162.6 | 92% | 0.917 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 137.7 | -179.3 | -75.2 | -176.9 | -177.9 | -172 | 1.5 | 112.5 | ||
| 43 | Q | 42 | Very low | 33.8 | Very low | 177 Ų | 177 | 162.5 Ų | 162.5 | 83% | 0.827 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 153.3 | 171.1 | -69.1 | -177.1 | -7.4 | 0 | 0 | 113 | ||
| 44 | P | 32.3 | Very low | 33.6 | Very low | 124 Ų | 124 | 164.3 Ų | 164.3 | 81% | 0.805 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -74 | 131.3 | -178.2 | 29.6 | -32.6 | 0 | 0 | 0 | 111.6 | ||
| 45 | R | 39 | Very low | 33.5 | Very low | 246 Ų | 246 | 164.1 Ų | 164.1 | 93% | 0.928 | 84% | 0.838 | S | S | * | * | trans | -93.5 | 114.9 | 175.4 | -79.2 | -176.6 | 154.6 | 148 | -3.2 | 110.6 | ||||
| 46 | T | 31.7 | Very low | 33.4 | Very low | 128 Ų | 128 | 162.6 Ų | 162.6 | 79% | 0.785 | 84% | 0.839 | S | S | * | * | trans | -104.6 | 126.4 | 161.2 | 55.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 47 | S | 32.6 | Very low | 33.2 | Very low | 115 Ų | 115 | 162.3 Ų | 162.3 | 80% | 0.804 | 84% | 0.843 | S | S | * | * | trans | 154.4 | 140.3 | 150.5 | -68.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 48 | P | 35.7 | Very low | 33.3 | Very low | 120 Ų | 120 | 158.7 Ų | 158.7 | 78% | 0.779 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 158.7 | -172.8 | 35.4 | -34.1 | 0 | 0 | 0 | 113 | ||
| 49 | P | 37.2 | Very low | 33 | Very low | 130 Ų | 130 | 156.2 Ų | 156.2 | 84% | 0.844 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 131.5 | -176.8 | 32.1 | -30.3 | 0 | 0 | 0 | 112.8 | ||
| 50 | L | 29.3 | Very low | 32.7 | Very low | 169 Ų | 169 | 151.7 Ų | 151.7 | 89% | 0.885 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 139.6 | 162.9 | -79.8 | 157.4 | 0 | 0 | 0 | 110.3 | ||
| 51 | T | 31.5 | Very low | 32.2 | Very low | 136 Ų | 136 | 154 Ų | 154 | 83% | 0.834 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 125.4 | 171.6 | 40.6 | 0 | 0 | 0 | 0 | 111.9 | ||
| 52 | E | 29.8 | Very low | 31.7 | Very low | 190 Ų | 190 | 149.8 Ų | 149.8 | 89% | 0.888 | 83% | 0.833 | S | S | * | * | trans | -129.6 | 119.1 | 160.7 | -75.8 | -168.5 | 156.3 | 0 | 0 | 111 | ||||
| 53 | N | 26.7 | Very low | 31.1 | Very low | 158 Ų | 158 | 141.5 Ų | 141.5 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | trans | -64.7 | 136.6 | 161.5 | -97.5 | -18.8 | 0 | 0 | 0 | 109.4 | ||||
| 54 | N | 28.4 | Very low | 30.4 | Very low | 141 Ų | 141 | 142.9 Ų | 142.9 | 75% | 0.754 | 83% | 0.83 | S | S | * | * | -171.5 | 135.6 | 119.1 | -109.7 | -10.9 | 0 | 0 | 0 | 115.2 | |||||
| 55 | T | 28.3 | Very low | 30.1 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 67% | 0.669 | 83% | 0.832 | S | S | * | * | trans | 42.5 | 120.2 | 140 | 58 | 0 | 0 | 0 | 0 | 120 | ||||
| 56 | N | 27.5 | Very low | 29.6 | Very low | 168 Ų | 168 | 142.6 Ų | 142.6 | 90% | 0.898 | 83% | 0.832 | S | S | * | * | trans | -143.1 | 118 | 139.3 | -91.4 | -28 | 0 | 0 | 0 | 111.4 | ||||
| 57 | T | 29.2 | Very low | 29.5 | Very low | 135 Ų | 135 | 148.2 Ų | 148.2 | 83% | 0.828 | 84% | 0.838 | S | S | * | * | trans | -73.1 | 132.7 | 157.4 | 38.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 58 | S | 31.9 | Very low | 29.4 | Very low | 111 Ų | 111 | 148.4 Ų | 148.4 | 78% | 0.776 | 84% | 0.837 | S | S | * | * | trans | -169.6 | 110.5 | 145.1 | 21.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 59 | E | 28.8 | Very low | 29 | Very low | 194 Ų | 194 | 148.8 Ų | 148.8 | 91% | 0.907 | 84% | 0.842 | S | S | * | * | trans | 26.2 | 118 | 139 | -65.1 | -178.9 | 146.6 | 0 | 0 | 121.3 | ||||
| 60 | A | 28.2 | Very low | 28.6 | Very low | 89 Ų | 89 | 152 Ų | 152 | 74% | 0.736 | 84% | 0.843 | S | S | * | * | trans | -23.4 | 140.8 | 142.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 61 | I | 30.2 | Very low | 29.3 | Very low | 176 Ų | 176 | 148.1 Ų | 148.1 | 90% | 0.903 | 83% | 0.828 | S | S | * | * | -167.5 | 116.3 | 114.8 | -85.4 | 145.7 | 0 | 0 | 0 | 106.7 | |||||
| 62 | G | 25.2 | Very low | 29.3 | Very low | 86 Ų | 86 | 148.9 Ų | 148.9 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | trans | -134.5 | 111.6 | 172 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 63 | G | 27 | Very low | 29.3 | Very low | 70 Ų | 70 | 147 Ų | 147 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | trans | -118.8 | 136.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 64 | E | 27.1 | Very low | 29.4 | Very low | 205 Ų | 205 | 145 Ų | 145 | 96% | 0.958 | 81% | 0.806 | S | S | * | * | trans | 87.4 | 108 | 158.8 | -59.5 | -160.9 | 149.3 | 0 | 0 | 121.2 | ||||
| 65 | S | 26.7 | Very low | 29.3 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -71.3 | 154.2 | 163.1 | -73.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 66 | R | 27.9 | Very low | 29.3 | Very low | 246 Ų | 246 | 147.5 Ų | 147.5 | 93% | 0.928 | 81% | 0.808 | S | S | * | * | trans | -153.2 | 108.2 | 138.6 | -99.7 | -176.3 | -170.4 | -174.2 | 3.3 | 111.9 | ||||
| 67 | R | 30.1 | Very low | 29.4 | Very low | 245 Ų | 245 | 145.1 Ų | 145.1 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | trans | -176.9 | 136.5 | 132 | -104.8 | 178.8 | -177.4 | -168.7 | 1.4 | 110.9 | ||||
| 68 | P | 31.9 | Very low | 29.4 | Very low | 119 Ų | 119 | 145.1 Ų | 145.1 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -101 | 147 | 172.7 | 36.4 | -27.8 | 0 | 0 | 0 | 111.4 | ||||
| 69 | S | 27 | Very low | 29.2 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | trans | -173.6 | 105.1 | 139.3 | -74.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 70 | K | 28.8 | Very low | 29.3 | Very low | 199 Ų | 199 | 142.9 Ų | 142.9 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | trans | -88.8 | -176.5 | 166 | -99.4 | -174.8 | -177.2 | 179.8 | 0 | 108.1 | ||||
| 71 | P | 43.6 | Very low | 30 | Very low | 87 Ų | 87 | 144.3 Ų | 144.3 | 57% | 0.565 | 79% | 0.792 | S | S | * | * | cis | -135.6 | 166.7 | -27.3 | 25.4 | -2 | 0 | 0 | 0 | 111.6 | ||||
| 72 | H | 31 | Very low | 29.8 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 70% | 0.704 | 79% | 0.785 | S | S | * | * | 154.3 | 149.2 | 95.6 | -88.6 | -54.5 | 0 | 0 | 0 | 105.3 | |||||
| 73 | Q | 29.8 | Very low | 30 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | cis | -164.8 | 128.6 | 2.6 | -107.8 | 164.6 | -4.9 | 0 | 0 | 104.9 | ||||
| 74 | V | 28.1 | Very low | 30.2 | Very low | 116 Ų | 116 | 147.2 Ų | 147.2 | 70% | 0.703 | 79% | 0.785 | S | S | * | * | 72.5 | 99 | 82.3 | 172.8 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 75 | I | 26.1 | Very low | 30.5 | Very low | 139 Ų | 139 | 143.7 Ų | 143.7 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | 86.1 | 114.9 | 90.9 | -72.4 | 164 | 0 | 0 | 0 | 111.4 | |||||
| 76 | H | 29.1 | Very low | 30.7 | Very low | 163 Ų | 163 | 147.4 Ų | 147.4 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | 83.8 | 138.6 | 72.9 | -106.2 | -75.9 | 0 | 0 | 0 | 115.7 | |||||
| 77 | N | 29.4 | Very low | 30.7 | Very low | 119 Ų | 119 | 147.3 Ų | 147.3 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | trans | 86 | 150.3 | 149.7 | -63.8 | -7.2 | 0 | 0 | 0 | 118.1 | ||||
| 78 | N | 28.9 | Very low | 31.2 | Very low | 135 Ų | 135 | 141.3 Ų | 141.3 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | cis | 179.9 | 150.7 | -20.1 | -103.5 | -10.1 | 0 | 0 | 0 | 103.9 | ||||
| 79 | S | 28.2 | Very low | 31.3 | Very low | 123 Ų | 123 | 142.9 Ų | 142.9 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | -167.3 | 116.7 | 146.6 | -83.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 80 | T | 31.5 | Very low | 31.6 | Very low | 134 Ų | 134 | 142.5 Ų | 142.5 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | -59.7 | 167.1 | 157.9 | 34.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 81 | P | 41.4 | Very low | 32.1 | Very low | 119 Ų | 119 | 140.9 Ų | 140.9 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | cis | -151.4 | 174.5 | 37.6 | 39.7 | -16.5 | 0 | 0 | 0 | 119.7 | ||||
| 82 | A | 27.1 | Very low | 31.9 | Very low | 91 Ų | 91 | 142 Ų | 142 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | 77 | 124.3 | 144.3 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 83 | S | 30.2 | Very low | 32.5 | Very low | 109 Ų | 109 | 141.7 Ų | 141.7 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | 83.5 | 114.4 | 134.2 | -70.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 84 | K | 29.7 | Very low | 32.9 | Very low | 193 Ų | 193 | 141.5 Ų | 141.5 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | 68.2 | 107.2 | 139.7 | -66.2 | -177.7 | 178.5 | 179.2 | 0 | 121 | ||||
| 85 | V | 33.8 | Very low | 33.6 | Very low | 131 Ų | 131 | 141.1 Ų | 141.1 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | 38.5 | 105.5 | 124.7 | -177.5 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 86 | K | 31.1 | Very low | 35.1 | Very low | 198 Ų | 198 | 142.3 Ų | 142.3 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | 168.9 | 144 | 108.5 | -115.8 | 167.7 | -172.1 | -175.7 | 0 | 112.7 | |||||
| 87 | R | 28.1 | Very low | 35.9 | Very low | 243 Ų | 243 | 142.5 Ų | 142.5 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | trans | 99.5 | 129.5 | 144.7 | -137.1 | 175.8 | -162.1 | 171.8 | 2.8 | 119 | ||||
| 88 | V | 40.8 | Very low | 37.1 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -74 | 138.8 | -178.9 | -170.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 89 | D | 33.1 | Very low | 38.2 | Very low | 151 Ų | 151 | 140.2 Ų | 140.2 | 81% | 0.807 | 81% | 0.81 | S | S | * | * | 174.9 | 148.4 | 125.9 | -88.4 | -32.4 | 0 | 0 | 0 | 114.6 | |||||
| 90 | S | 34.8 | Very low | 39.3 | Very low | 121 Ų | 121 | 141.5 Ų | 141.5 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | 92.5 | 99.8 | 160.5 | 98.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 91 | L | 39.4 | Very low | 40 | Very low | 165 Ų | 165 | 139.4 Ų | 139.4 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -112.3 | 130.3 | 153.9 | -104.5 | 140.9 | 0 | 0 | 0 | 105.9 | ||||
| 92 | V | 39.4 | Very low | 40.5 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 66% | 0.661 | 80% | 0.804 | S | S | * | * | trans | 92.8 | 116.2 | 137.3 | -173 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 93 | N | 42.1 | Very low | 41.6 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 78% | 0.781 | 81% | 0.81 | S | S | * | * | trans | 74.1 | 109.8 | 142.5 | -65.1 | -5.5 | 0 | 0 | 0 | 121.6 | S95 | N93-S95 PolarHBondContact O-N 3.23Š| ||
| 94 | T | 38.6 | Very low | 42.4 | Very low | 146 Ų | 146 | 147.8 Ų | 147.8 | 90% | 0.896 | 81% | 0.812 | S | S | * | * | trans | -78.2 | 104.7 | 149.7 | 53.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 95 | S | 42.6 | Very low | 42.9 | Very low | 109 Ų | 109 | 149.4 Ų | 149.4 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | trans | -116.3 | 139.3 | 157.9 | -167.5 | 0 | 0 | 0 | 0 | 108.8 | N93 L97 | N93-S95 PolarHBondContact O-N 3.23Å; S95-L97 PolarHBondContact O-N 3.18Å | ||
| 96 | I | 56.9 | Low | 43.3 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | trans | -90.5 | 98.2 | -162.4 | -55 | 166.3 | 0 | 0 | 0 | 109 | ||||
| 97 | L | 46.5 | Very low | 43.7 | Very low | 167 Ų | 167 | 144 Ų | 144 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -131.6 | 116.1 | 162.9 | -67.8 | 174.9 | 0 | 0 | 0 | 108.1 | S95 | S95-L97 PolarHBondContact O-N 3.18Š| ||
| 98 | S | 54.9 | Low | 44.3 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | -75.3 | 131.2 | -175.8 | -178.6 | 0 | 0 | 0 | 0 | 111 | N100 | S98-N100 PolarHBondContact O-N 2.63Å; S98-N100 VanDerWaalsContact O-N 3.08Å | ||
| 99 | A | 52.5 | Low | 44.5 | Very low | 99 Ų | 99 | 137.2 Ų | 137.2 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -76.6 | 16.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 100 | N | 51.5 | Low | 45.1 | Very low | 151 Ų | 151 | 135.7 Ų | 135.7 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | trans | -127 | 52.3 | -177.9 | -81.6 | -16.8 | 0 | 0 | 0 | 112.7 | S98 | S98-N100 PolarHBondContact O-N 2.63Å; S98-N100 VanDerWaalsContact O-N 3.08Å | ||
| 101 | A | 45.9 | Very low | 45.6 | Very low | 89 Ų | 89 | 135.7 Ų | 135.7 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -97.6 | 113.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | E103 | A101-E103 PolarHBondContact O-N 3.45Š| ||
| 102 | P | 51.8 | Low | 45.9 | Very low | 122 Ų | 122 | 136.8 Ų | 136.8 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -88.7 | 83.4 | -178.3 | 33.6 | -29.9 | 0 | 0 | 0 | 110.4 | ||||
| 103 | E | 50.5 | Low | 45.9 | Very low | 187 Ų | 187 | 140.1 Ų | 140.1 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -171.4 | 63.2 | 164.8 | -111 | 169.5 | -144.2 | 0 | 0 | 110.5 | A101 | A101-E103 PolarHBondContact O-N 3.45Š| ||
| 104 | F | 45.5 | Very low | 46 | Very low | 187 Ų | 187 | 141.1 Ų | 141.1 | 82% | 0.82 | 80% | 0.798 | S | S | * | * | trans | -161.8 | 89.3 | 160.3 | -136.2 | -96.5 | 0 | 0 | 0 | 110.8 | P106 | F104-P106 HydrophobicContact CD1-CG 4.33Å; F104-P106 HydrophobicContact CE1-CG 4.27Å | ||
| 105 | Y | 41.3 | Very low | 46 | Very low | 226 Ų | 226 | 139.4 Ų | 139.4 | 89% | 0.886 | 79% | 0.792 | S | S | * | * | trans | -122.2 | 108.1 | 160.4 | -80.5 | -83 | 0 | 0 | 0 | 107.6 | S107 | Y105-S107 PolarHBondContact O-N 3.44Š| ||
| 106 | P | 41.3 | Very low | 46 | Very low | 107 Ų | 107 | 140.8 Ų | 140.8 | 70% | 0.695 | 80% | 0.796 | S | S | * | * | trans | -75.9 | 106.6 | 158.4 | 5.6 | 11.4 | 0 | 0 | 0 | 106.9 | F104 | F104-P106 HydrophobicContact CD1-CG 4.33Å; F104-P106 HydrophobicContact CE1-CG 4.27Å | ||
| 107 | S | 41.4 | Very low | 45.1 | Very low | 108 Ų | 108 | 138.5 Ų | 138.5 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | -64.5 | 138.7 | 170.9 | -67.7 | 0 | 0 | 0 | 0 | 110.6 | Y105 | Y105-S107 PolarHBondContact O-N 3.44Š| ||
| 108 | S | 40.4 | Very low | 45.2 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -35 | 141 | 169.2 | 47.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 109 | S | 43.2 | Very low | 45 | Very low | 113 Ų | 113 | 141.7 Ų | 141.7 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -42.1 | 139.4 | 174.5 | -0.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 110 | P | 46.8 | Very low | 44.8 | Very low | 119 Ų | 119 | 140.3 Ų | 140.3 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -83.1 | 156.8 | 159.1 | 34.1 | -29.4 | 0 | 0 | 0 | 110.8 | ||||
| 111 | P | 44.5 | Very low | 44.6 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -79 | 152.2 | -177.7 | 33.5 | -33.2 | 0 | 0 | 0 | 112 | E113 | P111-E113 PolarHBondContact O-N 3.02Š| ||
| 112 | Y | 46 | Very low | 44.6 | Very low | 187 Ų | 187 | 141.4 Ų | 141.4 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | trans | -31.9 | 114.6 | 166.7 | -177.2 | -95.9 | 0 | 0 | 0 | 114.2 | E114 | Y112-E114 HydrophobicContact CE1-CB 4.23Š| ||
| 113 | E | 39.5 | Very low | 44.5 | Very low | 180 Ų | 180 | 137.3 Ų | 137.3 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | trans | -121.5 | 121.4 | 152 | -85.5 | -166.2 | 168.2 | 0 | 0 | 108.7 | P111 S115 | P111-E113 PolarHBondContact O-N 3.02Å; E113-S115 PolarHBondContact O-N 3.37Å; E113-S115 VanDerWaalsContact O-N 3.15Å | ||
| 114 | E | 45.5 | Very low | 44.5 | Very low | 167 Ų | 167 | 139.4 Ų | 139.4 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | trans | -61.9 | 105.3 | 176.7 | -169.2 | 164.4 | -165 | 0 | 0 | 109.3 | Y112 | Y112-E114 HydrophobicContact CE1-CB 4.23Š| ||
| 115 | S | 37.8 | Very low | 45.1 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -115.5 | 122.9 | 170.8 | 41.2 | 0 | 0 | 0 | 0 | 108.1 | E113 S117 | E113-S115 PolarHBondContact O-N 3.37Å; E113-S115 VanDerWaalsContact O-N 3.15Å; S115-S117 PolarHBondContact O-N 3.14Å; S115-S117 VanDerWaalsContact O-N 3.16Å | ||
| 116 | V | 42.9 | Very low | 46.1 | Very low | 138 Ų | 138 | 135.7 Ų | 135.7 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | trans | -51.4 | 117 | -178.5 | 179 | 0 | 0 | 0 | 0 | 109.3 | E118 | V116-E118 PolarHBondContact O-N 2.97Š| ||
| 117 | S | 37.8 | Very low | 47.7 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -65.8 | 98.4 | 170.4 | 46.2 | 0 | 0 | 0 | 0 | 109.4 | S115 | S115-S117 PolarHBondContact O-N 3.14Å; S115-S117 VanDerWaalsContact O-N 3.16Å | ||
| 118 | E | 48.4 | Very low | 49.8 | Very low | 182 Ų | 182 | 137.4 Ų | 137.4 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | trans | -82.5 | 114.4 | 154 | -85.9 | -173.4 | 164.9 | 0 | 0 | 108.4 | V116 G120 | V116-E118 PolarHBondContact O-N 2.97Å; E118-G120 PolarHBondContact O-N 3.03Å | ||
| 119 | D | 51.4 | Low | 52.3 | Low | 158 Ų | 158 | 135.2 Ų | 135.2 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | trans | 8.3 | 104.7 | 150.4 | -164.8 | 27.7 | 0 | 0 | 0 | 116.9 | ||||
| 120 | G | 48.2 | Very low | 54.7 | Low | 70 Ų | 70 | 130.4 Ų | 130.4 | 72% | 0.722 | 71% | 0.71 | S | S | * | * | trans | -151.9 | 50 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | E118 D122 | E118-G120 PolarHBondContact O-N 3.03Å; G120-D122 PolarHBondContact O-N 3.2Å | ||
| 121 | S | 46.1 | Very low | 57 | Low | 110 Ų | 110 | 126.2 Ų | 126.2 | 77% | 0.769 | 69% | 0.685 | S | S | * | * | trans | -70.4 | 68.7 | 167 | 174.8 | 0 | 0 | 0 | 0 | 109.4 | G123 | S121-G123 PolarHBondContact O-N 3.02Š| ||
| 122 | D | 46.5 | Very low | 59.3 | Low | 153 Ų | 153 | 125 Ų | 125 | 82% | 0.818 | 67% | 0.669 | S | S | * | * | trans | -75.9 | 84.4 | 166.6 | -140 | 8.8 | 0 | 0 | 0 | 106.9 | G120 Y124 | G120-D122 PolarHBondContact O-N 3.2Å; D122-Y124 PolarHBondContact O-N 2.98Å | ||
| 123 | G | 49.3 | Very low | 61.6 | Low | 36 Ų | 36 | 116.7 Ų | 116.7 | 37% | 0.371 | 64% | 0.637 | S | S | . | * | trans | -60 | 127.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | S121 Y125 | S121-G123 PolarHBondContact O-N 3.02Å; G123-Y125 PolarHBondContact O-N 3.47Å | ||
| 124 | Y | 50.1 | Low | 64.3 | Low | 232 Ų | 232 | 108.3 Ų | 108.3 | 91% | 0.91 | 60% | 0.598 | S | S | * | * | trans | -63 | 64.6 | 164.3 | -73 | -96.9 | 0 | 0 | 0 | 109.8 | D122 T126 | D122-Y124 PolarHBondContact O-N 2.98Å; Y124-T126 VanDerWaalsContact C-N 3.3Å; Y124-T126 PolarHBondContact O-N 3.04Å | ||
| 125 | Y | 59.3 | Low | 66.6 | Low | 217 Ų | 217 | 106.1 Ų | 106.1 | 85% | 0.851 | 59% | 0.588 | S | S | * | * | trans | -72.4 | 95.4 | 166.7 | -74.5 | -79.3 | 0 | 0 | 0 | 106 | G123 E127 | G123-Y125 PolarHBondContact O-N 3.47Å; Y125-E127 PolarHBondContact O-N 3.29Å; Y125-E127 VanDerWaalsContact O-N 3.09Å | ||
| 126 | T | 60.8 | Low | 69.2 | Low | 117 Ų | 117 | 107 Ų | 107 | 72% | 0.718 | 58% | 0.58 | S | S | * | * | trans | -52.4 | 115 | 159.5 | 45.2 | 0 | 0 | 0 | 0 | 106.9 | Y124 T128 | Y124-T126 VanDerWaalsContact C-N 3.3Å; Y124-T126 PolarHBondContact O-N 3.04Å; T126-T128 PolarHBondContact O-N 3.08Å | ||
| 127 | E | 74.9 | Confident | 71.7 | Confident | 181 Ų | 181 | 101.6 Ų | 101.6 | 85% | 0.846 | 55% | 0.545 | S | S | * | . | trans | -57.7 | 109.6 | 176.4 | -169 | 171.2 | -165.5 | 0 | 0 | 107.9 | Y125 T129 | Y125-E127 PolarHBondContact O-N 3.29Å; Y125-E127 VanDerWaalsContact O-N 3.09Å; E127-T129 PolarHBondContact O-N 3.01Å | ||
| 128 | T | 86 | Confident | 74.3 | Confident | 71 Ų | 71 | 96.3 Ų | 96.3 | 44% | 0.436 | 51% | 0.508 | S | S | . | . | trans | -58.4 | 130.8 | -179.7 | -53.1 | 0 | 0 | 0 | 0 | 108.8 | T126 E132 W162 | T126-T128 PolarHBondContact O-N 3.08Å; T128-E132 WeakPolarHBondContact CA-OE2 3.44Å; T128-E132 HydrophobicContact CG2-CB 4.27Å; T128-W162 HydrophobicContact CG2-CH2 4.32Å; T128-W162 WeakPolarHBondContact O-CH2 3.39Å; T128-W162 WeakPolarHBondContact O-CZ3 3.43Å | ||
| 129 | T | 93.5 | Very high | 76.5 | Confident | 63 Ų | 63 | 90.5 Ų | 90.5 | 39% | 0.387 | 49% | 0.488 | S | S | . | . | trans | -92.1 | 159.6 | -179.8 | 63.3 | 0 | 0 | 0 | 0 | 111.4 | E127 A131 E132 L133 | E127-T129 PolarHBondContact O-N 3.01Å; T129-A131 PolarHBondContact O-N 3.45Å; T129-E132 PolarHBondContact N-OE2 3.12Å; T129-E132 PolarHBondContact O-N 3.03Å; T129-E132 VanDerWaalsContact OG1-CG 3.28Å; T129-E132 WeakPolarHBondContact OG1-CG 2.91Å; T129-E132 PolarHBondContact OG1-N 2.97Å; T129-E132 PolarHBondContact OG1-OE2 3.02Å; T129-L133 PolarHBondContact O-N 3.43Å; T129-L133 VanDerWaalsContact O-N 3.09Å | ||
| 130 | L | 93.8 | Very high | 78.5 | Confident | 12 Ų | 12 | 86.7 Ų | 86.7 | 6% | 0.063 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -57.8 | -37.2 | 172.4 | 177.4 | 60.9 | 0 | 0 | 0 | 111.4 | L133 V134 L159 W162 V163 T168 E171 L175 | L130-L133 PolarHBondContact O-N 2.93Å; L130-V134 HydrophobicContact CD1-CG2 3.91Å; L130-V134 HydrophobicContact CG-CG2 4.29Å; L130-V134 WeakPolarHBondContact O-CB 3.47Å; L130-V134 VanDerWaalsContact O-CG2 3.22Å; L130-V134 WeakPolarHBondContact O-CG2 3.22Å; L130-V134 PolarHBondContact O-N 3.23Å; L130-L159 HydrophobicContact CD1-CD2 4.23Å; L130-W162 HydrophobicContact CB-CE3 4.45Å; L130-W162 HydrophobicContact CD1-CB 4.09Å; L130-V163 HydrophobicContact CD1-CG2 4.28Å; L130-V163 HydrophobicContact CD2-CG2 4.29Å; L130-T168 WeakPolarHBondContact CD2-O 3.43Å; L130-E171 HydrophobicContact CD2-CB 4.27Å; L130-E171 HydrophobicContact CD2-CG 4.25Å; L130-L175 HydrophobicContact CG-CD1 4.38Å |
| 131 | A | 94.4 | Very high | 80.7 | Confident | 30 Ų | 30 | 83.4 Ų | 83.4 | 25% | 0.248 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T129 V134 E135 L175 | T129-A131 PolarHBondContact O-N 3.45Å; A131-V134 PolarHBondContact O-N 3.16Å; A131-E135 VanDerWaalsContact O-CB 3.31Å; A131-E135 WeakPolarHBondContact O-CB 3.45Å; A131-E135 PolarHBondContact O-N 3.32Å; A131-L175 HydrophobicContact CB-CD1 4.19Å; A131-L175 HydrophobicContact CB-CD2 4.02Å |
| 132 | E | 93.9 | Very high | 82.9 | Confident | 96 Ų | 96 | 80.8 Ų | 80.8 | 45% | 0.449 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 177.8 | -72.2 | 164.2 | 161.2 | 0 | 0 | 111.6 | T128 T129 E135 E136 | T128-E132 WeakPolarHBondContact CA-OE2 3.44Å; T128-E132 HydrophobicContact CG2-CB 4.27Å; T129-E132 PolarHBondContact N-OE2 3.12Å; T129-E132 PolarHBondContact O-N 3.03Å; T129-E132 VanDerWaalsContact OG1-CG 3.28Å; T129-E132 WeakPolarHBondContact OG1-CG 2.91Å; T129-E132 PolarHBondContact OG1-N 2.97Å; T129-E132 PolarHBondContact OG1-OE2 3.02Å; E132-E135 PolarHBondContact O-N 2.92Å; E132-E136 WeakPolarHBondContact O-CB 3.37Å; E132-E136 PolarHBondContact O-N 3.26Å |
| 133 | L | 94.3 | Very high | 85.1 | Confident | 12 Ų | 12 | 77.7 Ų | 77.7 | 6% | 0.063 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 177.1 | -178.9 | 70 | 0 | 0 | 0 | 111.9 | T129 L130 E136 F137 M158 W162 | T129-L133 PolarHBondContact O-N 3.43Å; T129-L133 VanDerWaalsContact O-N 3.09Å; L130-L133 PolarHBondContact O-N 2.93Å; L133-E136 PolarHBondContact O-N 3.34Å; L133-F137 HydrophobicContact CD1-CD2 4.36Å; L133-F137 HydrophobicContact CD1-CE1 4.21Å; L133-F137 HydrophobicContact CD1-CE2 3.62Å; L133-F137 HydrophobicContact CD1-CZ 3.53Å; L133-F137 HydrophobicContact CD2-CE2 4Å; L133-F137 HydrophobicContact CG-CD2 4.08Å; L133-F137 HydrophobicContact CG-CE2 3.56Å; L133-F137 HydrophobicContact CG-CZ 4.04Å; L133-F137 WeakPolarHBondContact O-CD2 3.42Å; L133-F137 WeakPolarHBondContact O-CG 3.42Å; L133-F137 PolarHBondContact O-N 3.49Å; L133-F137 VanDerWaalsContact O-N 3.08Å; L133-M158 HydrophobicContact CD1-CE 4.35Å; L133-W162 HydrophobicContact CD2-CD2 3.81Å; L133-W162 HydrophobicContact CD2-CG 3.77Å; L133-W162 HydrophobicContact CD2-CZ2 4.49Å |
| 134 | V | 94.8 | Very high | 87.1 | Confident | 4 Ų | 4 | 78.4 Ų | 78.4 | 2% | 0.024 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 178.7 | 171.9 | 0 | 0 | 0 | 0 | 110.2 | L130 A131 E136 F137 L138 L159 L172 L175 L176 | L130-V134 HydrophobicContact CD1-CG2 3.91Å; L130-V134 HydrophobicContact CG-CG2 4.29Å; L130-V134 WeakPolarHBondContact O-CB 3.47Å; L130-V134 VanDerWaalsContact O-CG2 3.22Å; L130-V134 WeakPolarHBondContact O-CG2 3.22Å; L130-V134 PolarHBondContact O-N 3.23Å; A131-V134 PolarHBondContact O-N 3.16Å; V134-E136 VanDerWaalsContact C-N 3.33Å; V134-E136 PolarHBondContact O-N 3.35Å; V134-F137 PolarHBondContact O-N 2.85Å; V134-L138 HydrophobicContact CG1-CD1 3.48Å; V134-L138 VanDerWaalsContact CG1-CD1 3.48Å; V134-L138 HydrophobicContact CG1-CG 4.06Å; V134-L138 WeakPolarHBondContact O-CB 3.4Å; V134-L138 WeakPolarHBondContact O-CG 3.18Å; V134-L138 PolarHBondContact O-N 3.29Å; V134-L159 HydrophobicContact CG2-CD2 3.91Å; V134-L172 HydrophobicContact CG2-CD1 3.61Å; V134-L175 HydrophobicContact CB-CB 4.45Å; V134-L175 HydrophobicContact CB-CD1 4.09Å; V134-L175 HydrophobicContact CG1-CB 3.8Å; V134-L175 HydrophobicContact CG1-CD1 4.34Å; V134-L175 HydrophobicContact CG2-CD1 4.09Å; V134-L176 HydrophobicContact CG1-CD2 4.4Å |
| 135 | E | 93.6 | Very high | 89.1 | Confident | 121 Ų | 121 | 70.5 Ų | 70.5 | 57% | 0.565 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -60.5 | -42.7 | 176.9 | -174.3 | 171.3 | -172.4 | 0 | 0 | 112 | A131 E132 L138 S139 | A131-E135 VanDerWaalsContact O-CB 3.31Å; A131-E135 WeakPolarHBondContact O-CB 3.45Å; A131-E135 PolarHBondContact O-N 3.32Å; E132-E135 PolarHBondContact O-N 2.92Å; E135-L138 PolarHBondContact O-N 3.21Å; E135-S139 WeakPolarHBondContact O-CB 3.37Å; E135-S139 PolarHBondContact O-N 3.45Å |
| 136 | E | 94 | Very high | 90.7 | Very high | 130 Ų | 130 | 63.5 Ų | 63.5 | 61% | 0.607 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -59 | -51.9 | 175.7 | -175.7 | 179.6 | 179.3 | 0 | 0 | 111.5 | E132 L133 V134 L138 S139 H140 | E132-E136 WeakPolarHBondContact O-CB 3.37Å; E132-E136 PolarHBondContact O-N 3.26Å; L133-E136 PolarHBondContact O-N 3.34Å; V134-E136 VanDerWaalsContact C-N 3.33Å; V134-E136 PolarHBondContact O-N 3.35Å; E136-L138 VanDerWaalsContact C-N 3.34Å; E136-L138 PolarHBondContact O-N 3.09Å; E136-S139 PolarHBondContact O-N 3.38Å; E136-H140 WeakPolarHBondContact O-CB 3.47Å; E136-H140 PolarHBondContact O-N 3.41Å |
| 137 | F | 94.6 | Very high | 92.2 | Very high | 24 Ų | 24 | 59 Ų | 59 | 11% | 0.105 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.1 | -42 | 178.8 | -68.2 | -30.7 | 0 | 0 | 0 | 112.6 | L133 V134 H140 L141 I155 M158 L159 | L133-F137 HydrophobicContact CD1-CD2 4.36Å; L133-F137 HydrophobicContact CD1-CE1 4.21Å; L133-F137 HydrophobicContact CD1-CE2 3.62Å; L133-F137 HydrophobicContact CD1-CZ 3.53Å; L133-F137 HydrophobicContact CD2-CE2 4Å; L133-F137 HydrophobicContact CG-CD2 4.08Å; L133-F137 HydrophobicContact CG-CE2 3.56Å; L133-F137 HydrophobicContact CG-CZ 4.04Å; L133-F137 WeakPolarHBondContact O-CD2 3.42Å; L133-F137 WeakPolarHBondContact O-CG 3.42Å; L133-F137 PolarHBondContact O-N 3.49Å; L133-F137 VanDerWaalsContact O-N 3.08Å; V134-F137 PolarHBondContact O-N 2.85Å; F137-H140 PolarHBondContact O-N 3.02Å; F137-L141 WeakPolarHBondContact O-CB 3.36Å; F137-L141 VanDerWaalsContact O-CG 3.29Å; F137-L141 WeakPolarHBondContact O-CG 3.44Å; F137-L141 PolarHBondContact O-N 3.32Å; F137-I155 HydrophobicContact CB-CD1 4.28Å; F137-I155 HydrophobicContact CB-CG1 4.39Å; F137-I155 HydrophobicContact CB-CG2 4.34Å; F137-I155 HydrophobicContact CD1-CD1 4.38Å; F137-I155 HydrophobicContact CD1-CG1 3.85Å; F137-I155 HydrophobicContact CD2-CB 4.45Å; F137-I155 HydrophobicContact CD2-CG1 4.3Å; F137-I155 HydrophobicContact CD2-CG2 3.76Å; F137-I155 HydrophobicContact CE1-CG1 4.13Å; F137-I155 HydrophobicContact CE2-CG2 4.18Å; F137-I155 HydrophobicContact CG-CD1 4.36Å; F137-I155 HydrophobicContact CG-CG1 3.94Å; F137-I155 HydrophobicContact CG-CG2 4.08Å; F137-I155 HydrophobicContact CZ-CG1 4.45Å; F137-M158 HydrophobicContact CE2-CB 4Å; F137-M158 HydrophobicContact CZ-CB 3.82Å; F137-M158 HydrophobicContact CZ-CG 4.1Å; F137-L159 HydrophobicContact CE2-CG 4.5Å |
| 138 | L | 93.4 | Very high | 93.2 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.016 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -71.7 | -36.6 | -179.2 | -61.5 | 175.6 | 0 | 0 | 0 | 111.9 | V134 E135 E136 N142 L176 Q179 F186 L193 | V134-L138 HydrophobicContact CG1-CD1 3.48Å; V134-L138 VanDerWaalsContact CG1-CD1 3.48Å; V134-L138 HydrophobicContact CG1-CG 4.06Å; V134-L138 WeakPolarHBondContact O-CB 3.4Å; V134-L138 WeakPolarHBondContact O-CG 3.18Å; V134-L138 PolarHBondContact O-N 3.29Å; E135-L138 PolarHBondContact O-N 3.21Å; E136-L138 VanDerWaalsContact C-N 3.34Å; E136-L138 PolarHBondContact O-N 3.09Å; L138-N142 VanDerWaalsContact O-CB 3.23Å; L138-N142 WeakPolarHBondContact O-CB 3.38Å; L138-N142 PolarHBondContact O-N 2.83Å; L138-L176 HydrophobicContact CD1-CD2 3.99Å; L138-L176 HydrophobicContact CD2-CD2 3.7Å; L138-L176 HydrophobicContact CG-CD2 4.35Å; L138-Q179 HydrophobicContact CB-CG 3.93Å; L138-Q179 HydrophobicContact CD1-CB 3.5Å; L138-Q179 VanDerWaalsContact CD1-CB 3.5Å; L138-Q179 HydrophobicContact CD1-CG 3.54Å; L138-Q179 HydrophobicContact CG-CG 4.35Å; L138-F186 HydrophobicContact CB-CZ 4.16Å; L138-F186 HydrophobicContact CD2-CE1 3.74Å; L138-F186 HydrophobicContact CD2-CZ 3.55Å; L138-F186 HydrophobicContact CG-CZ 4.43Å; L138-F186 WeakPolarHBondContact O-CE2 3.46Å; L138-L193 HydrophobicContact CD2-CD2 3.33Å |
| 139 | S | 92.9 | Very high | 93.7 | Very high | 61 Ų | 61 | 52.4 Ų | 52.4 | 43% | 0.427 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 173.5 | -175.2 | 0 | 0 | 0 | 0 | 111.7 | E135 E136 N142 S143 | E135-S139 WeakPolarHBondContact O-CB 3.37Å; E135-S139 PolarHBondContact O-N 3.45Å; E136-S139 PolarHBondContact O-N 3.38Å; S139-N142 PolarHBondContact O-N 3.32Å; S139-S143 WeakPolarHBondContact O-CB 3.35Å; S139-S143 PolarHBondContact O-N 3.29Å; S139-S143 PolarHBondContact O-OG 2.93Å |
| 140 | H | 93.8 | Very high | 93.7 | Very high | 78 Ų | 78 | 55.7 Ų | 55.7 | 36% | 0.361 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.7 | -51.9 | 174.6 | 177.1 | 63.4 | 0 | 0 | 0 | 111.6 | E136 F137 N142 S143 S144 D151 | E136-H140 WeakPolarHBondContact O-CB 3.47Å; E136-H140 PolarHBondContact O-N 3.41Å; F137-H140 PolarHBondContact O-N 3.02Å; H140-N142 PolarHBondContact O-N 2.95Å; H140-S143 PolarHBondContact O-N 2.89Å; H140-S143 VanDerWaalsContact O-N 3.13Å; H140-S144 PolarHBondContact O-N 3.11Å; H140-D151 IonicContact CD2-OD2 3.53Å; H140-D151 PolarHBondContact CD2-OD2 3.14Å; H140-D151 IonicContact CE1-OD2 3.59Å; H140-D151 IonicContact NE2-OD2 3.54Å; H140-D151 PolarHBondContact NE2-OD2 3.17Å |
| 141 | L | 94.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.2 | -27.3 | 178.2 | -70.4 | 179.7 | 0 | 0 | 0 | 113.4 | F137 P145 F148 I155 F186 T189 L193 | F137-L141 WeakPolarHBondContact O-CB 3.36Å; F137-L141 VanDerWaalsContact O-CG 3.29Å; F137-L141 WeakPolarHBondContact O-CG 3.44Å; F137-L141 PolarHBondContact O-N 3.32Å; L141-P145 WeakPolarHBondContact O-CA 3.44Å; L141-F148 HydrophobicContact CD1-CD2 4.28Å; L141-F148 HydrophobicContact CD1-CE2 4.41Å; L141-F148 HydrophobicContact CD2-CB 4.44Å; L141-F148 HydrophobicContact CD2-CD2 4.05Å; L141-I155 HydrophobicContact CD1-CD1 3.9Å; L141-I155 HydrophobicContact CD2-CD1 4.08Å; L141-I155 HydrophobicContact CG-CD1 4.01Å; L141-F186 HydrophobicContact CB-CE2 3.96Å; L141-F186 HydrophobicContact CB-CZ 4.32Å; L141-T189 HydrophobicContact CB-CG2 4.03Å; L141-L193 HydrophobicContact CD1-CD2 4.2Å |
| 142 | N | 92.4 | Very high | 93.9 | Very high | 55 Ų | 55 | 56.1 Ų | 56.1 | 29% | 0.294 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -75.7 | -36.6 | 175 | -172.5 | 58.2 | 0 | 0 | 0 | 112.2 | L138 S139 H140 I183 F186 | L138-N142 VanDerWaalsContact O-CB 3.23Å; L138-N142 WeakPolarHBondContact O-CB 3.38Å; L138-N142 PolarHBondContact O-N 2.83Å; S139-N142 PolarHBondContact O-N 3.32Å; H140-N142 PolarHBondContact O-N 2.95Å; N142-I183 WeakPolarHBondContact OD1-CG2 3.33Å; N142-F186 HydrophobicContact CB-CD2 3.61Å; N142-F186 HydrophobicContact CB-CE2 3.94Å |
| 143 | S | 92.8 | Very high | 94 | Very high | 88 Ų | 88 | 57.8 Ų | 57.8 | 62% | 0.615 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -78.2 | -30.9 | 178.9 | -56.3 | 0 | 0 | 0 | 0 | 112.2 | S139 H140 | S139-S143 WeakPolarHBondContact O-CB 3.35Å; S139-S143 PolarHBondContact O-N 3.29Å; S139-S143 PolarHBondContact O-OG 2.93Å; H140-S143 PolarHBondContact O-N 2.89Å; H140-S143 VanDerWaalsContact O-N 3.13Å |
| 144 | S | 92.4 | Very high | 94.1 | Very high | 52 Ų | 52 | 62.7 Ų | 62.7 | 36% | 0.364 | 35% | 0.349 | S | S | . | . | trans | -129.8 | 66.6 | -177.7 | -59.8 | 0 | 0 | 0 | 0 | 112.1 | H140 G146 S147 | H140-S144 PolarHBondContact O-N 3.11Å; S144-G146 PolarHBondContact O-N 2.95Å; S144-S147 PolarHBondContact O-N 3.09Å; S144-S147 PolarHBondContact O-OG 3.35Å | ||
| 145 | P | 90.6 | Very high | 94.1 | Very high | 66 Ų | 66 | 62.7 Ų | 62.7 | 43% | 0.429 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -59.6 | -23.9 | -178 | -24.1 | 34.1 | 0 | 0 | 0 | 114.7 | L141 S147 F148 | L141-P145 WeakPolarHBondContact O-CA 3.44Å; P145-S147 VanDerWaalsContact C-N 3.31Å; P145-F148 WeakPolarHBondContact O-CB 3.31Å |
| 146 | G | 92.6 | Very high | 94.2 | Very high | 70 Ų | 70 | 57 Ų | 57 | 72% | 0.722 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -78.2 | -7.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | S144 | S144-G146 PolarHBondContact O-N 2.95Š|
| 147 | S | 94.3 | Very high | 94.2 | Very high | 23 Ų | 23 | 55.7 Ų | 55.7 | 16% | 0.161 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -90.5 | -2.5 | 174.4 | 73 | 0 | 0 | 0 | 0 | 112.9 | S144 P145 E149 N150 D151 | S144-S147 PolarHBondContact O-N 3.09Å; S144-S147 PolarHBondContact O-OG 3.35Å; P145-S147 VanDerWaalsContact C-N 3.31Å; S147-E149 VanDerWaalsContact C-N 3.31Å; S147-E149 PolarHBondContact O-N 3.16Å; S147-N150 PolarHBondContact O-N 3.15Å; S147-D151 WeakPolarHBondContact CB-OD2 3.39Å; S147-D151 PolarHBondContact O-N 3.39Å; S147-D151 PolarHBondContact OG-OD2 2.98Å |
| 148 | F | 95.3 | Very high | 94.2 | Very high | 9 Ų | 9 | 57.3 Ų | 57.3 | 4% | 0.039 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -51.2 | -48.4 | -172.8 | -176.2 | -83 | 0 | 0 | 0 | 112.5 | L141 P145 N150 D151 I152 T189 R192 L193 | L141-F148 HydrophobicContact CD1-CD2 4.28Å; L141-F148 HydrophobicContact CD1-CE2 4.41Å; L141-F148 HydrophobicContact CD2-CB 4.44Å; L141-F148 HydrophobicContact CD2-CD2 4.05Å; P145-F148 WeakPolarHBondContact O-CB 3.31Å; F148-N150 VanDerWaalsContact C-N 3.26Å; F148-N150 PolarHBondContact O-N 3.33Å; F148-D151 PolarHBondContact O-N 2.88Å; F148-I152 HydrophobicContact CD1-CB 4.28Å; F148-I152 HydrophobicContact CD1-CG2 4.5Å; F148-I152 HydrophobicContact CE1-CB 4.02Å; F148-I152 HydrophobicContact CE1-CD1 4.16Å; F148-I152 HydrophobicContact CE1-CG1 3.86Å; F148-I152 HydrophobicContact CE1-CG2 4.33Å; F148-I152 HydrophobicContact CE2-CD1 3.96Å; F148-I152 HydrophobicContact CZ-CB 4.31Å; F148-I152 HydrophobicContact CZ-CD1 3.6Å; F148-I152 HydrophobicContact CZ-CG1 3.82Å; F148-I152 WeakPolarHBondContact O-CB 3.47Å; F148-I152 VanDerWaalsContact O-CG2 3.26Å; F148-I152 WeakPolarHBondContact O-CG2 3.34Å; F148-I152 PolarHBondContact O-N 2.99Å; F148-T189 HydrophobicContact CD2-CG2 3.92Å; F148-T189 HydrophobicContact CE2-CG2 4.24Å; F148-R192 VanDerWaalsContact CD1-NH2 3.28Å; F148-R192 HydrophobicContact CE1-CB 4.25Å; F148-R192 HydrophobicContact CE2-CB 3.94Å; F148-R192 HydrophobicContact CZ-CB 3.65Å; F148-L193 HydrophobicContact CE2-CB 4.2Å |
| 149 | E | 95.2 | Very high | 94.3 | Very high | 103 Ų | 103 | 57.4 Ų | 57.4 | 48% | 0.481 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.4 | -32.7 | -177.5 | -69.1 | 70.6 | -159 | 0 | 0 | 112.8 | S147 R192 | S147-E149 VanDerWaalsContact C-N 3.31Å; S147-E149 PolarHBondContact O-N 3.16Å; E149-R192 IonicContact OE1-CZ 3.64Å; E149-R192 VanDerWaalsContact OE1-CZ 3.27Å; E149-R192 IonicContact OE1-NH1 2.74Å; E149-R192 PolarHBondContact OE1-NH1 2.94Å; E149-R192 IonicContact OE1-NH2 2.99Å; E149-R192 PolarHBondContact OE1-NH2 3.22Å |
| 150 | N | 95.4 | Very high | 94.4 | Very high | 133 Ų | 133 | 56.5 Ų | 56.5 | 71% | 0.711 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -82 | -36.3 | -179.6 | -61.7 | -23.1 | 0 | 0 | 0 | 111.7 | S147 F148 | S147-N150 PolarHBondContact O-N 3.15Å; F148-N150 VanDerWaalsContact C-N 3.26Å; F148-N150 PolarHBondContact O-N 3.33Å |
| 151 | D | 95.8 | Very high | 94.4 | Very high | 43 Ų | 43 | 56.9 Ų | 56.9 | 23% | 0.23 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -92.5 | -24.3 | -170.4 | -58.7 | -28.1 | 0 | 0 | 0 | 113.1 | H140 S147 F148 E153 H154 I155 | H140-D151 IonicContact CD2-OD2 3.53Å; H140-D151 PolarHBondContact CD2-OD2 3.14Å; H140-D151 IonicContact CE1-OD2 3.59Å; H140-D151 IonicContact NE2-OD2 3.54Å; H140-D151 PolarHBondContact NE2-OD2 3.17Å; S147-D151 WeakPolarHBondContact CB-OD2 3.39Å; S147-D151 PolarHBondContact O-N 3.39Å; S147-D151 PolarHBondContact OG-OD2 2.98Å; F148-D151 PolarHBondContact O-N 2.88Å; D151-E153 VanDerWaalsContact C-N 3.31Å; D151-E153 PolarHBondContact O-N 3.12Å; D151-H154 PolarHBondContact O-N 3.09Å; D151-H154 VanDerWaalsContact O-N 3.15Å; D151-I155 HydrophobicContact CB-CD1 3.99Å; D151-I155 WeakPolarHBondContact O-CG1 3.2Å; D151-I155 PolarHBondContact O-N 3.09Å |
| 152 | I | 96 | Very high | 94.4 | Very high | 8 Ų | 8 | 61.2 Ų | 61.2 | 4% | 0.041 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.6 | -36.5 | -168.7 | -171.7 | 60.2 | 0 | 0 | 0 | 113.6 | F148 A156 L193 F196 | F148-I152 HydrophobicContact CD1-CB 4.28Å; F148-I152 HydrophobicContact CD1-CG2 4.5Å; F148-I152 HydrophobicContact CE1-CB 4.02Å; F148-I152 HydrophobicContact CE1-CD1 4.16Å; F148-I152 HydrophobicContact CE1-CG1 3.86Å; F148-I152 HydrophobicContact CE1-CG2 4.33Å; F148-I152 HydrophobicContact CE2-CD1 3.96Å; F148-I152 HydrophobicContact CZ-CB 4.31Å; F148-I152 HydrophobicContact CZ-CD1 3.6Å; F148-I152 HydrophobicContact CZ-CG1 3.82Å; F148-I152 WeakPolarHBondContact O-CB 3.47Å; F148-I152 VanDerWaalsContact O-CG2 3.26Å; F148-I152 WeakPolarHBondContact O-CG2 3.34Å; F148-I152 PolarHBondContact O-N 2.99Å; I152-A156 WeakPolarHBondContact O-CB 3.37Å; I152-A156 PolarHBondContact O-N 3.45Å; I152-L193 HydrophobicContact CD1-CD1 3.33Å; I152-F196 HydrophobicContact CD1-CB 4.04Å; I152-F196 HydrophobicContact CD1-CD1 3.82Å; I152-F196 HydrophobicContact CD1-CE1 4.44Å; I152-F196 HydrophobicContact CD1-CG 3.9Å; I152-F196 HydrophobicContact CG1-CB 3.93Å; I152-F196 HydrophobicContact CG1-CD1 3.4Å; I152-F196 HydrophobicContact CG1-CD2 3.6Å; I152-F196 HydrophobicContact CG1-CE1 3.69Å; I152-F196 HydrophobicContact CG1-CE2 3.87Å; I152-F196 HydrophobicContact CG1-CG 3.34Å; I152-F196 HydrophobicContact CG1-CZ 3.92Å; I152-F196 HydrophobicContact CG2-CD2 4.32Å; I152-F196 HydrophobicContact CG2-CE2 3.95Å; I152-F196 HydrophobicContact CG2-CZ 4.13Å |
| 153 | E | 95.8 | Very high | 94.5 | Very high | 131 Ų | 131 | 58.8 Ų | 58.8 | 61% | 0.612 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -68.5 | -44.4 | 177.8 | -65.8 | -169.8 | 171.8 | 0 | 0 | 111.4 | D151 A156 N157 F196 | D151-E153 VanDerWaalsContact C-N 3.31Å; D151-E153 PolarHBondContact O-N 3.12Å; E153-A156 PolarHBondContact O-N 3.32Å; E153-N157 WeakPolarHBondContact O-CB 3.32Å; E153-N157 PolarHBondContact O-N 3.1Å; E153-N157 PolarHBondContact O-ND2 3Å; E153-F196 HydrophobicContact CG-CZ 4.17Å |
| 154 | H | 95.6 | Very high | 94.5 | Very high | 115 Ų | 115 | 59 Ų | 59 | 53% | 0.532 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62 | -46.7 | 176.2 | 178.7 | 67.8 | 0 | 0 | 0 | 111.2 | D151 A156 N157 M158 | D151-H154 PolarHBondContact O-N 3.09Å; D151-H154 VanDerWaalsContact O-N 3.15Å; H154-A156 VanDerWaalsContact C-N 3.34Å; H154-A156 PolarHBondContact O-N 3.32Å; H154-N157 PolarHBondContact O-N 3.02Å; H154-M158 WeakPolarHBondContact O-CB 3.36Å; H154-M158 WeakPolarHBondContact O-CG 3.31Å; H154-M158 PolarHBondContact O-N 3.23Å |
| 155 | I | 95.7 | Very high | 94.6 | Very high | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.3 | -47.3 | 176.4 | -69.5 | 169.7 | 0 | 0 | 0 | 110.5 | F137 L141 D151 N157 M158 L159 | F137-I155 HydrophobicContact CB-CD1 4.28Å; F137-I155 HydrophobicContact CB-CG1 4.39Å; F137-I155 HydrophobicContact CB-CG2 4.34Å; F137-I155 HydrophobicContact CD1-CD1 4.38Å; F137-I155 HydrophobicContact CD1-CG1 3.85Å; F137-I155 HydrophobicContact CD2-CB 4.45Å; F137-I155 HydrophobicContact CD2-CG1 4.3Å; F137-I155 HydrophobicContact CD2-CG2 3.76Å; F137-I155 HydrophobicContact CE1-CG1 4.13Å; F137-I155 HydrophobicContact CE2-CG2 4.18Å; F137-I155 HydrophobicContact CG-CD1 4.36Å; F137-I155 HydrophobicContact CG-CG1 3.94Å; F137-I155 HydrophobicContact CG-CG2 4.08Å; F137-I155 HydrophobicContact CZ-CG1 4.45Å; L141-I155 HydrophobicContact CD1-CD1 3.9Å; L141-I155 HydrophobicContact CD2-CD1 4.08Å; L141-I155 HydrophobicContact CG-CD1 4.01Å; D151-I155 HydrophobicContact CB-CD1 3.99Å; D151-I155 WeakPolarHBondContact O-CG1 3.2Å; D151-I155 PolarHBondContact O-N 3.09Å; I155-N157 PolarHBondContact O-N 3.29Å; I155-M158 PolarHBondContact O-N 3.14Å; I155-L159 HydrophobicContact CG2-CD1 3.89Å; I155-L159 HydrophobicContact CG2-CG 4.44Å; I155-L159 WeakPolarHBondContact O-CB 3.49Å; I155-L159 VanDerWaalsContact O-CG 3.28Å; I155-L159 WeakPolarHBondContact O-CG 3.33Å; I155-L159 PolarHBondContact O-N 3.33Å |
| 156 | A | 95.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 59.3 Ų | 59.3 | 2% | 0.017 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.6 | -37.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | I152 E153 H154 L159 N160 F196 L197 N200 | I152-A156 WeakPolarHBondContact O-CB 3.37Å; I152-A156 PolarHBondContact O-N 3.45Å; E153-A156 PolarHBondContact O-N 3.32Å; H154-A156 VanDerWaalsContact C-N 3.34Å; H154-A156 PolarHBondContact O-N 3.32Å; A156-L159 PolarHBondContact O-N 3.37Å; A156-N160 WeakPolarHBondContact O-CB 3.38Å; A156-N160 PolarHBondContact O-N 3.45Å; A156-N160 PolarHBondContact O-ND2 3.41Å; A156-N160 VanDerWaalsContact O-ND2 3.09Å; A156-F196 HydrophobicContact CB-CD1 4.03Å; A156-F196 HydrophobicContact CB-CE1 3.55Å; A156-L197 HydrophobicContact CB-CD2 4.05Å; A156-N200 HydrophobicContact CB-CB 4.44Å |
| 157 | N | 95 | Very high | 94.8 | Very high | 102 Ų | 102 | 62.1 Ų | 62.1 | 55% | 0.545 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 175.6 | -72.8 | -24.5 | 0 | 0 | 0 | 111.8 | E153 H154 I155 N160 S161 | E153-N157 WeakPolarHBondContact O-CB 3.32Å; E153-N157 PolarHBondContact O-N 3.1Å; E153-N157 PolarHBondContact O-ND2 3Å; H154-N157 PolarHBondContact O-N 3.02Å; I155-N157 PolarHBondContact O-N 3.29Å; N157-N160 PolarHBondContact O-N 2.92Å; N157-S161 PolarHBondContact O-N 3.32Å; N157-S161 PolarHBondContact O-OG 3.49Å |
| 158 | M | 94.6 | Very high | 94.9 | Very high | 58 Ų | 58 | 62.5 Ų | 62.5 | 29% | 0.286 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.4 | -51.2 | 172.4 | -76.8 | -64 | -64.7 | 0 | 0 | 110.4 | L133 F137 H154 I155 N160 S161 W162 | L133-M158 HydrophobicContact CD1-CE 4.35Å; F137-M158 HydrophobicContact CE2-CB 4Å; F137-M158 HydrophobicContact CZ-CB 3.82Å; F137-M158 HydrophobicContact CZ-CG 4.1Å; H154-M158 WeakPolarHBondContact O-CB 3.36Å; H154-M158 WeakPolarHBondContact O-CG 3.31Å; H154-M158 PolarHBondContact O-N 3.23Å; I155-M158 PolarHBondContact O-N 3.14Å; M158-N160 VanDerWaalsContact C-N 3.3Å; M158-N160 PolarHBondContact O-N 2.73Å; M158-S161 WeakPolarHBondContact O-CB 3.42Å; M158-S161 PolarHBondContact O-N 2.93Å; M158-W162 VanDerWaalsContact O-CD1 3.23Å; M158-W162 PolarHBondContact O-N 3.07Å |
| 159 | L | 95.4 | Very high | 94.9 | Very high | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.6 | -36.8 | 178.7 | -70.7 | 173 | 0 | 0 | 0 | 113.1 | L130 V134 F137 I155 A156 S161 W162 V163 L172 L197 L201 | L130-L159 HydrophobicContact CD1-CD2 4.23Å; V134-L159 HydrophobicContact CG2-CD2 3.91Å; F137-L159 HydrophobicContact CE2-CG 4.5Å; I155-L159 HydrophobicContact CG2-CD1 3.89Å; I155-L159 HydrophobicContact CG2-CG 4.44Å; I155-L159 WeakPolarHBondContact O-CB 3.49Å; I155-L159 VanDerWaalsContact O-CG 3.28Å; I155-L159 WeakPolarHBondContact O-CG 3.33Å; I155-L159 PolarHBondContact O-N 3.33Å; A156-L159 PolarHBondContact O-N 3.37Å; L159-S161 PolarHBondContact O-N 3.27Å; L159-W162 PolarHBondContact O-N 3.19Å; L159-V163 VanDerWaalsContact O-CB 3.31Å; L159-V163 WeakPolarHBondContact O-CB 3.29Å; L159-V163 WeakPolarHBondContact O-CG2 3.22Å; L159-V163 PolarHBondContact O-N 3.2Å; L159-L172 HydrophobicContact CD1-CD1 4.31Å; L159-L172 HydrophobicContact CD2-CD1 3.87Å; L159-L197 HydrophobicContact CD1-CD1 3.99Å; L159-L197 HydrophobicContact CD1-CD2 3.8Å; L159-L201 HydrophobicContact CB-CD2 4.4Å |
| 160 | N | 94.3 | Very high | 95 | Very high | 42 Ų | 42 | 61.7 Ų | 61.7 | 23% | 0.225 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.6 | -28.9 | 174 | -87.3 | -53.7 | 0 | 0 | 0 | 113.4 | A156 N157 M158 N200 L201 A202 | A156-N160 WeakPolarHBondContact O-CB 3.38Å; A156-N160 PolarHBondContact O-N 3.45Å; A156-N160 PolarHBondContact O-ND2 3.41Å; A156-N160 VanDerWaalsContact O-ND2 3.09Å; N157-N160 PolarHBondContact O-N 2.92Å; M158-N160 VanDerWaalsContact C-N 3.3Å; M158-N160 PolarHBondContact O-N 2.73Å; N160-N200 PolarHBondContact ND2-O 2.96Å; N160-L201 WeakPolarHBondContact OD1-CA 3.26Å; N160-A202 PolarHBondContact OD1-N 2.93Å |
| 161 | S | 93.8 | Very high | 95 | Very high | 87 Ų | 87 | 59.2 Ų | 59.2 | 61% | 0.608 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -77.8 | -27.6 | 177.9 | -55.2 | 0 | 0 | 0 | 0 | 112.3 | N157 M158 L159 | N157-S161 PolarHBondContact O-N 3.32Å; N157-S161 PolarHBondContact O-OG 3.49Å; M158-S161 WeakPolarHBondContact O-CB 3.42Å; M158-S161 PolarHBondContact O-N 2.93Å; L159-S161 PolarHBondContact O-N 3.27Å |
| 162 | W | 93.8 | Very high | 95.1 | Very high | 90 Ų | 90 | 57.1 Ų | 57.1 | 34% | 0.341 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -93.1 | -37.3 | -178.8 | -74.4 | 69.9 | 0 | 0 | 0 | 112.9 | T128 L130 L133 M158 L159 T164 | T128-W162 HydrophobicContact CG2-CH2 4.32Å; T128-W162 WeakPolarHBondContact O-CH2 3.39Å; T128-W162 WeakPolarHBondContact O-CZ3 3.43Å; L130-W162 HydrophobicContact CB-CE3 4.45Å; L130-W162 HydrophobicContact CD1-CB 4.09Å; L133-W162 HydrophobicContact CD2-CD2 3.81Å; L133-W162 HydrophobicContact CD2-CG 3.77Å; L133-W162 HydrophobicContact CD2-CZ2 4.49Å; M158-W162 VanDerWaalsContact O-CD1 3.23Å; M158-W162 PolarHBondContact O-N 3.07Å; L159-W162 PolarHBondContact O-N 3.19Å; W162-T164 PolarHBondContact O-N 2.86Å; W162-T164 VanDerWaalsContact O-N 3.11Å |
| 163 | V | 94.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.024 | 29% | 0.291 | C | S | . | . | trans | -88.7 | 80.6 | -176.9 | -178 | 0 | 0 | 0 | 0 | 110 | L130 L159 L169 L172 L203 | L130-V163 HydrophobicContact CD1-CG2 4.28Å; L130-V163 HydrophobicContact CD2-CG2 4.29Å; L159-V163 VanDerWaalsContact O-CB 3.31Å; L159-V163 WeakPolarHBondContact O-CB 3.29Å; L159-V163 WeakPolarHBondContact O-CG2 3.22Å; L159-V163 PolarHBondContact O-N 3.2Å; V163-L169 HydrophobicContact CG1-CB 3.7Å; V163-L169 HydrophobicContact CG1-CD1 3.8Å; V163-L169 HydrophobicContact CG1-CG 4.35Å; V163-L172 HydrophobicContact CG2-CB 4.17Å; V163-L172 HydrophobicContact CG2-CD2 3.86Å; V163-L203 HydrophobicContact CG1-CD2 4.04Å | ||
| 164 | T | 93.4 | Very high | 95.2 | Very high | 92 Ų | 92 | 54.4 Ų | 54.4 | 56% | 0.564 | 28% | 0.279 | S | S | * | . | trans | -107.8 | -12.4 | -176 | 58.2 | 0 | 0 | 0 | 0 | 113.6 | W162 T168 | W162-T164 PolarHBondContact O-N 2.86Å; W162-T164 VanDerWaalsContact O-N 3.11Å; T164-T168 PolarHBondContact N-OG1 3.03Å | ||
| 165 | T | 93.9 | Very high | 95.2 | Very high | 55 Ų | 55 | 51.1 Ų | 51.1 | 34% | 0.337 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -124 | 164.7 | -177.9 | 77.5 | 0 | 0 | 0 | 0 | 111.9 | E167 T168 L169 L203 | T165-E167 VanDerWaalsContact C-N 3.28Å; T165-E167 VanDerWaalsContact CB-OE2 3.22Å; T165-E167 WeakPolarHBondContact CB-OE2 3.22Å; T165-E167 PolarHBondContact O-N 3.34Å; T165-E167 PolarHBondContact OG1-N 2.99Å; T165-E167 PolarHBondContact OG1-OE2 3.43Å; T165-T168 PolarHBondContact N-OG1 2.88Å; T165-T168 PolarHBondContact O-OG1 3.09Å; T165-T168 PolarHBondContact OG1-N 3.27Å; T165-T168 PolarHBondContact OG1-OG1 2.8Å; T165-L169 PolarHBondContact O-N 3.35Å; T165-L169 VanDerWaalsContact O-N 3.14Å; T165-L203 WeakPolarHBondContact O-CD2 3.36Å |
| 166 | E | 94 | Very high | 95.2 | Very high | 70 Ų | 70 | 51 Ų | 51 | 33% | 0.327 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.2 | -37.4 | 176 | -178.7 | 176.1 | 166.2 | 0 | 0 | 111.8 | L169 Q170 P205 S207 | E166-L169 PolarHBondContact O-N 2.68Å; E166-Q170 WeakPolarHBondContact O-CG 3.3Å; E166-Q170 PolarHBondContact O-N 3.15Å; E166-Q170 PolarHBondContact OE1-NE2 3.12Å; E166-P205 HydrophobicContact CB-CB 4.37Å; E166-P205 HydrophobicContact CB-CG 4.45Å; E166-P205 HydrophobicContact CG-CB 4.45Å; E166-P205 HydrophobicContact CG-CG 4.27Å; E166-S207 WeakPolarHBondContact CG-OG 3.41Å; E166-S207 WeakPolarHBondContact OE1-CB 3.18Å; E166-S207 PolarHBondContact OE1-OG 3.49Å; E166-S207 PolarHBondContact OE2-OG 2.96Å |
| 167 | E | 94.7 | Very high | 95.2 | Very high | 130 Ų | 130 | 51.4 Ų | 51.4 | 61% | 0.607 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -65.8 | -46 | -179.9 | -58.7 | 76.4 | -166.3 | 0 | 0 | 111.4 | T165 L169 Q170 E171 | T165-E167 VanDerWaalsContact C-N 3.28Å; T165-E167 VanDerWaalsContact CB-OE2 3.22Å; T165-E167 WeakPolarHBondContact CB-OE2 3.22Å; T165-E167 PolarHBondContact O-N 3.34Å; T165-E167 PolarHBondContact OG1-N 2.99Å; T165-E167 PolarHBondContact OG1-OE2 3.43Å; E167-L169 VanDerWaalsContact C-N 3.27Å; E167-L169 PolarHBondContact O-N 3.41Å; E167-Q170 PolarHBondContact O-N 2.89Å; E167-E171 WeakPolarHBondContact O-CB 3.47Å; E167-E171 PolarHBondContact O-N 2.91Å |
| 168 | T | 95.3 | Very high | 95.1 | Very high | 30 Ų | 30 | 49.2 Ų | 49.2 | 18% | 0.184 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.2 | -30.4 | 177.6 | 49.6 | 0 | 0 | 0 | 0 | 112 | L130 T164 T165 L172 | L130-T168 WeakPolarHBondContact CD2-O 3.43Å; T164-T168 PolarHBondContact N-OG1 3.03Å; T165-T168 PolarHBondContact N-OG1 2.88Å; T165-T168 PolarHBondContact O-OG1 3.09Å; T165-T168 PolarHBondContact OG1-N 3.27Å; T165-T168 PolarHBondContact OG1-OG1 2.8Å; T168-L172 WeakPolarHBondContact O-CB 3.28Å; T168-L172 PolarHBondContact O-N 2.9Å |
| 169 | L | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -69.8 | -41.5 | 173.1 | -177.3 | 62.8 | 0 | 0 | 0 | 112.2 | V163 T165 E166 E167 E171 L172 V173 L201 L203 P205 F210 L213 | V163-L169 HydrophobicContact CG1-CB 3.7Å; V163-L169 HydrophobicContact CG1-CD1 3.8Å; V163-L169 HydrophobicContact CG1-CG 4.35Å; T165-L169 PolarHBondContact O-N 3.35Å; T165-L169 VanDerWaalsContact O-N 3.14Å; E166-L169 PolarHBondContact O-N 2.68Å; E167-L169 VanDerWaalsContact C-N 3.27Å; E167-L169 PolarHBondContact O-N 3.41Å; L169-E171 VanDerWaalsContact C-N 3.34Å; L169-L172 PolarHBondContact O-N 3.22Å; L169-V173 WeakPolarHBondContact O-CG2 3.46Å; L169-V173 PolarHBondContact O-N 3.4Å; L169-V173 VanDerWaalsContact O-N 3.09Å; L169-L201 HydrophobicContact CD1-CD1 4.11Å; L169-L203 HydrophobicContact CB-CD2 4.07Å; L169-L203 HydrophobicContact CD2-CD2 4.3Å; L169-P205 HydrophobicContact CD2-CG 3.92Å; L169-F210 HydrophobicContact CD1-CB 4.17Å; L169-F210 HydrophobicContact CD1-CD2 4Å; L169-L213 HydrophobicContact CD2-CD1 3.59Å; L169-L213 HydrophobicContact CG-CD1 3.72Å |
| 170 | Q | 95.8 | Very high | 94.7 | Very high | 95 Ų | 95 | 48 Ų | 48 | 44% | 0.444 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.4 | -41.1 | 174.5 | -71.1 | -179.8 | 24.9 | 0 | 0 | 111.2 | E166 E167 V173 E174 L213 | E166-Q170 WeakPolarHBondContact O-CG 3.3Å; E166-Q170 PolarHBondContact O-N 3.15Å; E166-Q170 PolarHBondContact OE1-NE2 3.12Å; E167-Q170 PolarHBondContact O-N 2.89Å; Q170-V173 PolarHBondContact O-N 3.29Å; Q170-E174 PolarHBondContact O-N 3.39Å; Q170-L213 HydrophobicContact CG-CD1 4.22Å |
| 171 | E | 96.5 | Very high | 94.5 | Very high | 81 Ų | 81 | 47 Ų | 47 | 38% | 0.379 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.7 | -47.5 | 174.6 | -173.8 | -179.2 | -179.9 | 0 | 0 | 111.6 | L130 E167 L169 V173 E174 L175 | L130-E171 HydrophobicContact CD2-CB 4.27Å; L130-E171 HydrophobicContact CD2-CG 4.25Å; E167-E171 WeakPolarHBondContact O-CB 3.47Å; E167-E171 PolarHBondContact O-N 2.91Å; L169-E171 VanDerWaalsContact C-N 3.34Å; E171-V173 VanDerWaalsContact C-N 3.31Å; E171-V173 PolarHBondContact O-N 2.94Å; E171-E174 PolarHBondContact O-N 2.8Å; E171-E174 VanDerWaalsContact O-N 3.12Å; E171-L175 HydrophobicContact CG-CD1 3.96Å; E171-L175 HydrophobicContact CG-CG 4.45Å; E171-L175 WeakPolarHBondContact O-CG 3.43Å; E171-L175 PolarHBondContact O-N 3.45Å |
| 172 | L | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.5 | -44.6 | 175.8 | 176.2 | 63.4 | 0 | 0 | 0 | 111.8 | V134 L159 V163 T168 L169 E174 L175 L176 L201 F210 | V134-L172 HydrophobicContact CG2-CD1 3.61Å; L159-L172 HydrophobicContact CD1-CD1 4.31Å; L159-L172 HydrophobicContact CD2-CD1 3.87Å; V163-L172 HydrophobicContact CG2-CB 4.17Å; V163-L172 HydrophobicContact CG2-CD2 3.86Å; T168-L172 WeakPolarHBondContact O-CB 3.28Å; T168-L172 PolarHBondContact O-N 2.9Å; L169-L172 PolarHBondContact O-N 3.22Å; L172-E174 VanDerWaalsContact C-N 3.34Å; L172-E174 PolarHBondContact O-N 3.31Å; L172-L175 PolarHBondContact O-N 3.14Å; L172-L176 HydrophobicContact CD1-CD1 3.77Å; L172-L176 HydrophobicContact CD1-CG 3.97Å; L172-L176 HydrophobicContact CD2-CD1 4.44Å; L172-L176 HydrophobicContact CG-CD1 3.84Å; L172-L176 HydrophobicContact CG-CG 4.42Å; L172-L176 WeakPolarHBondContact O-CB 3.29Å; L172-L176 VanDerWaalsContact O-CG 3.3Å; L172-L176 WeakPolarHBondContact O-CG 3.33Å; L172-L176 PolarHBondContact O-N 2.81Å; L172-L201 HydrophobicContact CD2-CD1 3.88Å; L172-F210 HydrophobicContact CD2-CD2 4.38Å; L172-F210 HydrophobicContact CD2-CE2 4.18Å; L172-F210 HydrophobicContact CG-CE2 4.26Å |
| 173 | V | 97 | Very high | 93.9 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.03 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.7 | -42.7 | 177.8 | 169.2 | 0 | 0 | 0 | 0 | 111.2 | L169 Q170 E171 Y177 F210 L213 L214 R217 | L169-V173 WeakPolarHBondContact O-CG2 3.46Å; L169-V173 PolarHBondContact O-N 3.4Å; L169-V173 VanDerWaalsContact O-N 3.09Å; Q170-V173 PolarHBondContact O-N 3.29Å; E171-V173 VanDerWaalsContact C-N 3.31Å; E171-V173 PolarHBondContact O-N 2.94Å; V173-Y177 WeakPolarHBondContact O-CB 3.22Å; V173-Y177 PolarHBondContact O-N 2.9Å; V173-F210 HydrophobicContact CG2-CD2 3.55Å; V173-F210 HydrophobicContact CG2-CE2 3.52Å; V173-F210 HydrophobicContact CG2-CG 4.44Å; V173-F210 HydrophobicContact CG2-CZ 4.39Å; V173-L213 HydrophobicContact CG2-CB 3.97Å; V173-L214 HydrophobicContact CG1-CB 4.32Å; V173-L214 HydrophobicContact CG1-CD1 4.36Å; V173-R217 HydrophobicContact CG1-CB 4.04Å; V173-R217 HydrophobicContact CG1-CG 4.45Å |
| 174 | E | 96.6 | Very high | 93.3 | Very high | 77 Ų | 77 | 48.9 Ų | 48.9 | 36% | 0.36 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 178.6 | -170.5 | 62 | -149.2 | 0 | 0 | 111.9 | Q170 E171 L172 Y177 T178 R217 | Q170-E174 PolarHBondContact O-N 3.39Å; E171-E174 PolarHBondContact O-N 2.8Å; E171-E174 VanDerWaalsContact O-N 3.12Å; L172-E174 VanDerWaalsContact C-N 3.34Å; L172-E174 PolarHBondContact O-N 3.31Å; E174-Y177 PolarHBondContact O-N 2.84Å; E174-T178 VanDerWaalsContact O-CB 3.29Å; E174-T178 WeakPolarHBondContact O-CB 3.13Å; E174-T178 PolarHBondContact O-N 3.24Å; E174-T178 PolarHBondContact O-OG1 3.25Å; E174-R217 VanDerWaalsContact CD-NE 3.3Å; E174-R217 IonicContact OE1-CZ 3.53Å; E174-R217 IonicContact OE1-NE 3.67Å; E174-R217 PolarHBondContact OE1-NE 2.94Å; E174-R217 VanDerWaalsContact OE1-NE 3.15Å; E174-R217 IonicContact OE1-NH2 2.68Å; E174-R217 PolarHBondContact OE1-NH2 3.08Å; E174-R217 WeakPolarHBondContact OE2-CD 3.4Å; E174-R217 IonicContact OE2-CZ 3.35Å; E174-R217 IonicContact OE2-NE 2.8Å; E174-R217 PolarHBondContact OE2-NE 3.42Å; E174-R217 IonicContact OE2-NH2 3.41Å |
| 175 | L | 95.9 | Very high | 92.9 | Very high | 46 Ų | 46 | 51.9 Ų | 51.9 | 24% | 0.241 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.2 | -49 | 179.1 | -69.8 | 165.3 | 0 | 0 | 0 | 111.1 | L130 A131 V134 E171 L172 Y177 T178 Q179 | L130-L175 HydrophobicContact CG-CD1 4.38Å; A131-L175 HydrophobicContact CB-CD1 4.19Å; A131-L175 HydrophobicContact CB-CD2 4.02Å; V134-L175 HydrophobicContact CB-CB 4.45Å; V134-L175 HydrophobicContact CB-CD1 4.09Å; V134-L175 HydrophobicContact CG1-CB 3.8Å; V134-L175 HydrophobicContact CG1-CD1 4.34Å; V134-L175 HydrophobicContact CG2-CD1 4.09Å; E171-L175 HydrophobicContact CG-CD1 3.96Å; E171-L175 HydrophobicContact CG-CG 4.45Å; E171-L175 WeakPolarHBondContact O-CG 3.43Å; E171-L175 PolarHBondContact O-N 3.45Å; L172-L175 PolarHBondContact O-N 3.14Å; L175-Y177 PolarHBondContact O-N 3.34Å; L175-T178 PolarHBondContact O-N 3.48Å; L175-Q179 WeakPolarHBondContact O-CB 3.1Å; L175-Q179 PolarHBondContact O-N 3.4Å |
| 176 | L | 95.7 | Very high | 92.8 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 178.8 | -71.2 | 172.8 | 0 | 0 | 0 | 112.3 | V134 L138 L172 S180 L193 L197 F210 | V134-L176 HydrophobicContact CG1-CD2 4.4Å; L138-L176 HydrophobicContact CD1-CD2 3.99Å; L138-L176 HydrophobicContact CD2-CD2 3.7Å; L138-L176 HydrophobicContact CG-CD2 4.35Å; L172-L176 HydrophobicContact CD1-CD1 3.77Å; L172-L176 HydrophobicContact CD1-CG 3.97Å; L172-L176 HydrophobicContact CD2-CD1 4.44Å; L172-L176 HydrophobicContact CG-CD1 3.84Å; L172-L176 HydrophobicContact CG-CG 4.42Å; L172-L176 WeakPolarHBondContact O-CB 3.29Å; L172-L176 VanDerWaalsContact O-CG 3.3Å; L172-L176 WeakPolarHBondContact O-CG 3.33Å; L172-L176 PolarHBondContact O-N 2.81Å; L176-S180 WeakPolarHBondContact O-CB 3.28Å; L176-S180 PolarHBondContact O-N 3.09Å; L176-S180 PolarHBondContact O-OG 3.2Å; L176-L193 HydrophobicContact CD2-CD2 3.5Å; L176-L193 HydrophobicContact CD2-CG 4.22Å; L176-L197 HydrophobicContact CD1-CD1 3.45Å; L176-L197 VanDerWaalsContact CD1-CD1 3.45Å; L176-F210 HydrophobicContact CD1-CE2 3.69Å; L176-F210 HydrophobicContact CD1-CZ 3.56Å |
| 177 | Y | 95.3 | Very high | 92.7 | Very high | 10 Ų | 10 | 46.9 Ų | 46.9 | 4% | 0.039 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.5 | -50.3 | 176.3 | 171.3 | -91.6 | 0 | 0 | 0 | 111.4 | V173 E174 L175 Q179 S180 T181 R217 E221 Y242 F245 | V173-Y177 WeakPolarHBondContact O-CB 3.22Å; V173-Y177 PolarHBondContact O-N 2.9Å; E174-Y177 PolarHBondContact O-N 2.84Å; L175-Y177 PolarHBondContact O-N 3.34Å; Y177-Q179 VanDerWaalsContact C-N 3.34Å; Y177-Q179 PolarHBondContact O-N 3.02Å; Y177-S180 PolarHBondContact O-N 3.01Å; Y177-T181 HydrophobicContact CE2-CG2 4.03Å; Y177-T181 PolarHBondContact O-N 2.7Å; Y177-T181 PolarHBondContact O-OG1 3.46Å; Y177-R217 HydrophobicContact CD1-CG 4.18Å; Y177-R217 VanDerWaalsContact CD1-CZ 3.43Å; Y177-R217 HydrophobicContact CD2-CG 4.14Å; Y177-R217 VanDerWaalsContact CE1-NH2 3.32Å; Y177-R217 HydrophobicContact CG-CG 3.83Å; Y177-E221 HydrophobicContact CE1-CG 4.36Å; Y177-E221 VanDerWaalsContact OH-CG 3.29Å; Y177-E221 WeakPolarHBondContact OH-CG 3.43Å; Y177-Y242 AromaticContact CE2-CD2 3.87Å; Y177-Y242 HydrophobicContact CE2-CD2 3.87Å; Y177-Y242 HydrophobicContact CE2-CE2 4.19Å; Y177-Y242 AromaticContact CZ-CD2 3.99Å; Y177-Y242 WeakPolarHBondContact OH-CD2 3.42Å; Y177-F245 HydrophobicContact CD2-CD1 4.49Å; Y177-F245 HydrophobicContact CD2-CE1 4.06Å; Y177-F245 HydrophobicContact CE2-CD1 4.42Å; Y177-F245 HydrophobicContact CE2-CE1 4.4Å |
| 178 | T | 93.1 | Very high | 92.7 | Very high | 55 Ų | 55 | 45 Ų | 45 | 34% | 0.337 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.5 | -48.5 | -178.5 | -61 | 0 | 0 | 0 | 0 | 109.9 | E174 L175 S180 T181 V182 | E174-T178 VanDerWaalsContact O-CB 3.29Å; E174-T178 WeakPolarHBondContact O-CB 3.13Å; E174-T178 PolarHBondContact O-N 3.24Å; E174-T178 PolarHBondContact O-OG1 3.25Å; L175-T178 PolarHBondContact O-N 3.48Å; T178-S180 PolarHBondContact O-N 3.28Å; T178-T181 PolarHBondContact O-N 3.16Å; T178-T181 PolarHBondContact O-OG1 2.79Å; T178-T181 VanDerWaalsContact O-OG1 3.06Å; T178-V182 HydrophobicContact CG2-CG2 4.04Å; T178-V182 VanDerWaalsContact O-CB 3.29Å; T178-V182 WeakPolarHBondContact O-CB 3.41Å; T178-V182 WeakPolarHBondContact O-CG2 3.48Å; T178-V182 PolarHBondContact O-N 3.03Å |
| 179 | Q | 89.9 | Confident | 92.7 | Very high | 36 Ų | 36 | 44 Ų | 44 | 17% | 0.168 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.3 | -35.9 | -177 | -157.3 | 73.3 | -40.6 | 0 | 0 | 113 | L138 L175 Y177 T181 V182 I183 | L138-Q179 HydrophobicContact CB-CG 3.93Å; L138-Q179 HydrophobicContact CD1-CB 3.5Å; L138-Q179 VanDerWaalsContact CD1-CB 3.5Å; L138-Q179 HydrophobicContact CD1-CG 3.54Å; L138-Q179 HydrophobicContact CG-CG 4.35Å; L175-Q179 WeakPolarHBondContact O-CB 3.1Å; L175-Q179 PolarHBondContact O-N 3.4Å; Y177-Q179 VanDerWaalsContact C-N 3.34Å; Y177-Q179 PolarHBondContact O-N 3.02Å; Q179-T181 PolarHBondContact O-N 3.08Å; Q179-V182 PolarHBondContact O-N 3.23Å; Q179-I183 VanDerWaalsContact CD-CG1 3.48Å; Q179-I183 HydrophobicContact CG-CD1 3.38Å; Q179-I183 HydrophobicContact CG-CG1 3.69Å; Q179-I183 VanDerWaalsContact NE2-CD1 3.33Å; Q179-I183 WeakPolarHBondContact O-CB 3.31Å; Q179-I183 PolarHBondContact O-N 3.48Å |
| 180 | S | 91.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.5 | -19.5 | 176.6 | -57.9 | 0 | 0 | 0 | 0 | 114.3 | L176 Y177 T178 S187 G190 | L176-S180 WeakPolarHBondContact O-CB 3.28Å; L176-S180 PolarHBondContact O-N 3.09Å; L176-S180 PolarHBondContact O-OG 3.2Å; Y177-S180 PolarHBondContact O-N 3.01Å; T178-S180 PolarHBondContact O-N 3.28Å; S180-S187 PolarHBondContact O-OG 2.99Å; S180-G190 WeakPolarHBondContact OG-CA 3.49Å |
| 181 | T | 90.5 | Very high | 92.6 | Very high | 22 Ų | 22 | 39.4 Ų | 39.4 | 14% | 0.135 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -107 | -20.4 | 179.3 | 56.5 | 0 | 0 | 0 | 0 | 113.3 | Y177 T178 Q179 A241 F245 | Y177-T181 HydrophobicContact CE2-CG2 4.03Å; Y177-T181 PolarHBondContact O-N 2.7Å; Y177-T181 PolarHBondContact O-OG1 3.46Å; T178-T181 PolarHBondContact O-N 3.16Å; T178-T181 PolarHBondContact O-OG1 2.79Å; T178-T181 VanDerWaalsContact O-OG1 3.06Å; Q179-T181 PolarHBondContact O-N 3.08Å; T181-A241 WeakPolarHBondContact O-CB 3.03Å; T181-F245 HydrophobicContact CG2-CB 3.95Å; T181-F245 HydrophobicContact CG2-CD1 3.94Å; T181-F245 HydrophobicContact CG2-CG 4.05Å |
| 182 | V | 89.4 | Confident | 92.6 | Very high | 98 Ų | 98 | 38.1 Ų | 38.1 | 59% | 0.594 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -94.4 | -42.9 | -179.9 | 173.6 | 0 | 0 | 0 | 0 | 112.2 | T178 Q179 P184 | T178-V182 HydrophobicContact CG2-CG2 4.04Å; T178-V182 VanDerWaalsContact O-CB 3.29Å; T178-V182 WeakPolarHBondContact O-CB 3.41Å; T178-V182 WeakPolarHBondContact O-CG2 3.48Å; T178-V182 PolarHBondContact O-N 3.03Å; Q179-V182 PolarHBondContact O-N 3.23Å; V182-P184 WeakPolarHBondContact O-CD 3.49Å |
| 183 | I | 84.9 | Confident | 92.5 | Very high | 26 Ų | 26 | 38.2 Ų | 38.2 | 13% | 0.133 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -72.8 | 125.8 | -179.2 | -62.6 | -170.5 | 0 | 0 | 0 | 110.1 | N142 Q179 N185 F186 | N142-I183 WeakPolarHBondContact OD1-CG2 3.33Å; Q179-I183 VanDerWaalsContact CD-CG1 3.48Å; Q179-I183 HydrophobicContact CG-CD1 3.38Å; Q179-I183 HydrophobicContact CG-CG1 3.69Å; Q179-I183 VanDerWaalsContact NE2-CD1 3.33Å; Q179-I183 WeakPolarHBondContact O-CB 3.31Å; Q179-I183 PolarHBondContact O-N 3.48Å; I183-N185 PolarHBondContact O-N 3.16Å; I183-F186 HydrophobicContact CB-CB 3.68Å; I183-F186 HydrophobicContact CB-CG 4.35Å; I183-F186 HydrophobicContact CG2-CB 3.61Å; I183-F186 HydrophobicContact CG2-CG 4.36Å; I183-F186 PolarHBondContact O-N 3.38Å |
| 184 | P | 82.4 | Confident | 92.5 | Very high | 97 Ų | 97 | 38 Ų | 38 | 63% | 0.63 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 137.5 | 173 | -21 | 32.5 | 0 | 0 | 0 | 112.1 | V182 F186 | V182-P184 WeakPolarHBondContact O-CD 3.49Å; P184-F186 PolarHBondContact O-N 3.47Å; P184-F186 VanDerWaalsContact O-N 3.09Å |
| 185 | N | 85.4 | Confident | 92.4 | Very high | 154 Ų | 154 | 35.7 Ų | 35.7 | 82% | 0.824 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.5 | 0.9 | 177.8 | -46.7 | -45.8 | 0 | 0 | 0 | 115.7 | I183 | I183-N185 PolarHBondContact O-N 3.16Š|
| 186 | F | 91.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -84.9 | -15.1 | -179.3 | -165.4 | -102.2 | 0 | 0 | 0 | 113.6 | L138 L141 N142 I183 P184 Y188 T189 G190 | L138-F186 HydrophobicContact CB-CZ 4.16Å; L138-F186 HydrophobicContact CD2-CE1 3.74Å; L138-F186 HydrophobicContact CD2-CZ 3.55Å; L138-F186 HydrophobicContact CG-CZ 4.43Å; L138-F186 WeakPolarHBondContact O-CE2 3.46Å; L141-F186 HydrophobicContact CB-CE2 3.96Å; L141-F186 HydrophobicContact CB-CZ 4.32Å; N142-F186 HydrophobicContact CB-CD2 3.61Å; N142-F186 HydrophobicContact CB-CE2 3.94Å; I183-F186 HydrophobicContact CB-CB 3.68Å; I183-F186 HydrophobicContact CB-CG 4.35Å; I183-F186 HydrophobicContact CG2-CB 3.61Å; I183-F186 HydrophobicContact CG2-CG 4.36Å; I183-F186 PolarHBondContact O-N 3.38Å; P184-F186 PolarHBondContact O-N 3.47Å; P184-F186 VanDerWaalsContact O-N 3.09Å; F186-Y188 PolarHBondContact O-N 3.19Å; F186-Y188 VanDerWaalsContact O-N 3.07Å; F186-T189 HydrophobicContact CD2-CG2 4.3Å; F186-T189 HydrophobicContact CE2-CG2 3.65Å; F186-T189 HydrophobicContact CZ-CG2 3.95Å; F186-T189 PolarHBondContact O-N 3.34Å; F186-G190 PolarHBondContact O-N 3.09Å | ||
| 187 | S | 92.5 | Very high | 92.4 | Very high | 21 Ų | 21 | 35.5 Ų | 35.5 | 15% | 0.147 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -54.3 | -35.4 | -174.5 | -51.9 | 0 | 0 | 0 | 0 | 113.7 | S180 A191 | S180-S187 PolarHBondContact O-OG 2.99Å; S187-A191 WeakPolarHBondContact O-CB 3.29Å; S187-A191 PolarHBondContact O-N 3.3Å |
| 188 | Y | 94 | Very high | 92.3 | Very high | 91 Ų | 91 | 36.2 Ų | 36.2 | 36% | 0.357 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.3 | -57.2 | 173.1 | 171.8 | -107.6 | 0 | 0 | 0 | 111.9 | F186 G190 A191 R192 | F186-Y188 PolarHBondContact O-N 3.19Å; F186-Y188 VanDerWaalsContact O-N 3.07Å; Y188-G190 VanDerWaalsContact C-N 3.32Å; Y188-G190 PolarHBondContact O-N 2.96Å; Y188-A191 PolarHBondContact O-N 3.23Å; Y188-R192 HydrophobicContact CE1-CG 4.42Å; Y188-R192 HydrophobicContact CE2-CG 4.3Å; Y188-R192 WeakPolarHBondContact O-CG 3.42Å; Y188-R192 PolarHBondContact O-N 2.84Å |
| 189 | T | 94.7 | Very high | 92.2 | Very high | 7 Ų | 7 | 36 Ų | 36 | 4% | 0.043 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.2 | -40.7 | 179.9 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | L141 F148 F186 R192 L193 | L141-T189 HydrophobicContact CB-CG2 4.03Å; F148-T189 HydrophobicContact CD2-CG2 3.92Å; F148-T189 HydrophobicContact CE2-CG2 4.24Å; F186-T189 HydrophobicContact CD2-CG2 4.3Å; F186-T189 HydrophobicContact CE2-CG2 3.65Å; F186-T189 HydrophobicContact CZ-CG2 3.95Å; F186-T189 PolarHBondContact O-N 3.34Å; T189-R192 WeakPolarHBondContact O-CB 3.37Å; T189-R192 PolarHBondContact O-N 3.42Å; T189-L193 WeakPolarHBondContact O-CB 3.22Å; T189-L193 PolarHBondContact O-N 2.93Å |
| 190 | G | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.3 | -43.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S180 F186 Y188 L193 C194 | S180-G190 WeakPolarHBondContact OG-CA 3.49Å; F186-G190 PolarHBondContact O-N 3.09Å; Y188-G190 VanDerWaalsContact C-N 3.32Å; Y188-G190 PolarHBondContact O-N 2.96Å; G190-L193 PolarHBondContact O-N 3.37Å; G190-C194 WeakPolarHBondContact O-CB 3.45Å; G190-C194 PolarHBondContact O-N 2.82Å; G190-C194 PolarHBondContact O-SG 2.99Å |
| 191 | A | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.4 | -38.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S187 Y188 C194 N195 F245 E248 R252 | S187-A191 WeakPolarHBondContact O-CB 3.29Å; S187-A191 PolarHBondContact O-N 3.3Å; Y188-A191 PolarHBondContact O-N 3.23Å; A191-C194 PolarHBondContact O-N 2.67Å; A191-N195 PolarHBondContact O-N 3.36Å; A191-F245 HydrophobicContact CB-CE2 4.43Å; A191-E248 HydrophobicContact CB-CB 3.67Å; A191-R252 HydrophobicContact CB-CB 4.36Å; A191-R252 HydrophobicContact CB-CG 4.45Å |
| 192 | R | 95.4 | Very high | 92.3 | Very high | 53 Ų | 53 | 42 Ų | 42 | 20% | 0.2 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.2 | -47.4 | 172.8 | -67.5 | -177.9 | 68.1 | -176.6 | 7.4 | 111.7 | F148 E149 Y188 T189 N195 F196 | F148-R192 VanDerWaalsContact CD1-NH2 3.28Å; F148-R192 HydrophobicContact CE1-CB 4.25Å; F148-R192 HydrophobicContact CE2-CB 3.94Å; F148-R192 HydrophobicContact CZ-CB 3.65Å; E149-R192 IonicContact OE1-CZ 3.64Å; E149-R192 VanDerWaalsContact OE1-CZ 3.27Å; E149-R192 IonicContact OE1-NH1 2.74Å; E149-R192 PolarHBondContact OE1-NH1 2.94Å; E149-R192 IonicContact OE1-NH2 2.99Å; E149-R192 PolarHBondContact OE1-NH2 3.22Å; Y188-R192 HydrophobicContact CE1-CG 4.42Å; Y188-R192 HydrophobicContact CE2-CG 4.3Å; Y188-R192 WeakPolarHBondContact O-CG 3.42Å; Y188-R192 PolarHBondContact O-N 2.84Å; T189-R192 WeakPolarHBondContact O-CB 3.37Å; T189-R192 PolarHBondContact O-N 3.42Å; R192-N195 PolarHBondContact O-N 2.99Å; R192-F196 PolarHBondContact O-N 3.36Å |
| 193 | L | 95.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61 | -46.4 | 177.6 | 178.7 | 58.4 | 0 | 0 | 0 | 111 | L138 L141 F148 I152 L176 T189 G190 N195 F196 L197 | L138-L193 HydrophobicContact CD2-CD2 3.33Å; L141-L193 HydrophobicContact CD1-CD2 4.2Å; F148-L193 HydrophobicContact CE2-CB 4.2Å; I152-L193 HydrophobicContact CD1-CD1 3.33Å; L176-L193 HydrophobicContact CD2-CD2 3.5Å; L176-L193 HydrophobicContact CD2-CG 4.22Å; T189-L193 WeakPolarHBondContact O-CB 3.22Å; T189-L193 PolarHBondContact O-N 2.93Å; G190-L193 PolarHBondContact O-N 3.37Å; L193-N195 VanDerWaalsContact C-N 3.31Å; L193-N195 PolarHBondContact O-N 3.35Å; L193-F196 PolarHBondContact O-N 2.87Å; L193-F196 VanDerWaalsContact O-N 3.14Å; L193-L197 HydrophobicContact CD1-CD1 3.84Å; L193-L197 HydrophobicContact CD1-CD2 4.4Å; L193-L197 HydrophobicContact CD1-CG 3.89Å; L193-L197 HydrophobicContact CG-CD1 3.91Å; L193-L197 HydrophobicContact CG-CG 4.34Å; L193-L197 WeakPolarHBondContact O-CB 3.25Å; L193-L197 WeakPolarHBondContact O-CG 3.12Å; L193-L197 PolarHBondContact O-N 2.83Å |
| 194 | C | 96.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.7 | -43.1 | 175.7 | -71.4 | 0 | 0 | 0 | 0 | 112.1 | G190 A191 S198 F210 L214 L249 | G190-C194 WeakPolarHBondContact O-CB 3.45Å; G190-C194 PolarHBondContact O-N 2.82Å; G190-C194 PolarHBondContact O-SG 2.99Å; A191-C194 PolarHBondContact O-N 2.67Å; C194-S198 WeakPolarHBondContact O-CB 3.33Å; C194-S198 PolarHBondContact O-N 3.27Å; C194-F210 HydrophobicContact CB-CE1 4.3Å; C194-L214 HydrophobicContact CB-CD2 3.7Å; C194-L249 HydrophobicContact CB-CD1 4.01Å |
| 195 | N | 95.6 | Very high | 92.7 | Very high | 29 Ų | 29 | 39 Ų | 39 | 16% | 0.155 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.5 | -44.6 | 175.5 | -176.4 | 58.9 | 0 | 0 | 0 | 111.7 | A191 R192 L193 S198 H199 R252 E254 | A191-N195 PolarHBondContact O-N 3.36Å; R192-N195 PolarHBondContact O-N 2.99Å; L193-N195 VanDerWaalsContact C-N 3.31Å; L193-N195 PolarHBondContact O-N 3.35Å; N195-S198 PolarHBondContact O-N 3.14Å; N195-S198 PolarHBondContact O-OG 3.03Å; N195-H199 PolarHBondContact O-ND1 3.15Å; N195-H199 PolarHBondContact OD1-CE1 3.47Å; N195-R252 WeakPolarHBondContact CB-O 3.27Å; N195-R252 PolarHBondContact ND2-O 3.47Å; N195-R252 PolarHBondContact OD1-O 3.2Å; N195-E254 PolarHBondContact OD1-N 3.48Å |
| 196 | F | 95.2 | Very high | 92.7 | Very high | 44 Ų | 44 | 37 Ų | 37 | 19% | 0.193 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.4 | -48.4 | 178.8 | -169 | -86.9 | 0 | 0 | 0 | 111.9 | I152 E153 A156 R192 L193 S198 H199 N200 | I152-F196 HydrophobicContact CD1-CB 4.04Å; I152-F196 HydrophobicContact CD1-CD1 3.82Å; I152-F196 HydrophobicContact CD1-CE1 4.44Å; I152-F196 HydrophobicContact CD1-CG 3.9Å; I152-F196 HydrophobicContact CG1-CB 3.93Å; I152-F196 HydrophobicContact CG1-CD1 3.4Å; I152-F196 HydrophobicContact CG1-CD2 3.6Å; I152-F196 HydrophobicContact CG1-CE1 3.69Å; I152-F196 HydrophobicContact CG1-CE2 3.87Å; I152-F196 HydrophobicContact CG1-CG 3.34Å; I152-F196 HydrophobicContact CG1-CZ 3.92Å; I152-F196 HydrophobicContact CG2-CD2 4.32Å; I152-F196 HydrophobicContact CG2-CE2 3.95Å; I152-F196 HydrophobicContact CG2-CZ 4.13Å; E153-F196 HydrophobicContact CG-CZ 4.17Å; A156-F196 HydrophobicContact CB-CD1 4.03Å; A156-F196 HydrophobicContact CB-CE1 3.55Å; R192-F196 PolarHBondContact O-N 3.36Å; L193-F196 PolarHBondContact O-N 2.87Å; L193-F196 VanDerWaalsContact O-N 3.14Å; F196-S198 VanDerWaalsContact C-N 3.27Å; F196-S198 PolarHBondContact O-N 3.02Å; F196-H199 PolarHBondContact O-N 3.5Å; F196-H199 VanDerWaalsContact O-N 3.1Å; F196-N200 HydrophobicContact CD1-CB 4.11Å; F196-N200 WeakPolarHBondContact CD1-ND2 3.03Å; F196-N200 HydrophobicContact CE1-CB 3.8Å; F196-N200 VanDerWaalsContact CE1-ND2 3.26Å; F196-N200 WeakPolarHBondContact CE1-ND2 3.49Å; F196-N200 HydrophobicContact CZ-CB 4.5Å; F196-N200 WeakPolarHBondContact CZ-ND2 3.38Å; F196-N200 PolarHBondContact O-N 2.86Å; F196-N200 VanDerWaalsContact O-N 3.12Å; F196-N200 PolarHBondContact O-ND2 2.94Å |
| 197 | L | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.8 | -31.7 | 179.2 | -66.3 | 177.3 | 0 | 0 | 0 | 112.5 | A156 L159 L176 L193 H199 N200 L201 F210 | A156-L197 HydrophobicContact CB-CD2 4.05Å; L159-L197 HydrophobicContact CD1-CD1 3.99Å; L159-L197 HydrophobicContact CD1-CD2 3.8Å; L176-L197 HydrophobicContact CD1-CD1 3.45Å; L176-L197 VanDerWaalsContact CD1-CD1 3.45Å; L193-L197 HydrophobicContact CD1-CD1 3.84Å; L193-L197 HydrophobicContact CD1-CD2 4.4Å; L193-L197 HydrophobicContact CD1-CG 3.89Å; L193-L197 HydrophobicContact CG-CD1 3.91Å; L193-L197 HydrophobicContact CG-CG 4.34Å; L193-L197 WeakPolarHBondContact O-CB 3.25Å; L193-L197 WeakPolarHBondContact O-CG 3.12Å; L193-L197 PolarHBondContact O-N 2.83Å; L197-H199 PolarHBondContact O-N 3.48Å; L197-H199 VanDerWaalsContact O-N 3.09Å; L197-N200 PolarHBondContact O-N 2.87Å; L197-L201 HydrophobicContact CB-CD1 3.97Å; L197-L201 HydrophobicContact CB-CG 4.14Å; L197-L201 HydrophobicContact CD2-CD2 4.36Å; L197-L201 HydrophobicContact CD2-CG 4.24Å; L197-L201 WeakPolarHBondContact O-CB 3.41Å; L197-L201 WeakPolarHBondContact O-CG 3.49Å; L197-L201 PolarHBondContact O-N 3.22Å; L197-F210 HydrophobicContact CB-CD1 4.21Å; L197-F210 HydrophobicContact CB-CE1 4.02Å; L197-F210 HydrophobicContact CB-CZ 4.25Å; L197-F210 HydrophobicContact CD1-CZ 4.29Å |
| 198 | S | 94.1 | Very high | 92.3 | Very high | 26 Ų | 26 | 38.9 Ų | 38.9 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.2 | -21.1 | 175.1 | 80 | 0 | 0 | 0 | 0 | 114 | C194 N195 F196 | C194-S198 WeakPolarHBondContact O-CB 3.33Å; C194-S198 PolarHBondContact O-N 3.27Å; N195-S198 PolarHBondContact O-N 3.14Å; N195-S198 PolarHBondContact O-OG 3.03Å; F196-S198 VanDerWaalsContact C-N 3.27Å; F196-S198 PolarHBondContact O-N 3.02Å |
| 199 | H | 91.7 | Very high | 92.2 | Very high | 51 Ų | 51 | 36.5 Ų | 36.5 | 24% | 0.236 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -105.7 | -24.5 | -179.5 | -64.7 | 108.3 | 0 | 0 | 0 | 114 | N195 F196 L197 K256 | N195-H199 PolarHBondContact O-ND1 3.15Å; N195-H199 PolarHBondContact OD1-CE1 3.47Å; F196-H199 PolarHBondContact O-N 3.5Å; F196-H199 VanDerWaalsContact O-N 3.1Å; L197-H199 PolarHBondContact O-N 3.48Å; L197-H199 VanDerWaalsContact O-N 3.09Å; H199-K256 WeakPolarHBondContact CD2-CE 3.45Å |
| 200 | N | 93 | Very high | 92.2 | Very high | 73 Ų | 73 | 36.4 Ų | 36.4 | 39% | 0.39 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -113.8 | -7 | -168.7 | -67.3 | -73.6 | 0 | 0 | 0 | 114 | A156 N160 F196 L197 | A156-N200 HydrophobicContact CB-CB 4.44Å; N160-N200 PolarHBondContact ND2-O 2.96Å; F196-N200 HydrophobicContact CD1-CB 4.11Å; F196-N200 WeakPolarHBondContact CD1-ND2 3.03Å; F196-N200 HydrophobicContact CE1-CB 3.8Å; F196-N200 VanDerWaalsContact CE1-ND2 3.26Å; F196-N200 WeakPolarHBondContact CE1-ND2 3.49Å; F196-N200 HydrophobicContact CZ-CB 4.5Å; F196-N200 WeakPolarHBondContact CZ-ND2 3.38Å; F196-N200 PolarHBondContact O-N 2.86Å; F196-N200 VanDerWaalsContact O-N 3.12Å; F196-N200 PolarHBondContact O-ND2 2.94Å; L197-N200 PolarHBondContact O-N 2.87Å |
| 201 | L | 92.4 | Very high | 92.2 | Very high | 22 Ų | 22 | 39 Ų | 39 | 12% | 0.115 | 24% | 0.24 | C | C | . | . | trans | -77.2 | 124.8 | 169.1 | -73.1 | 175.9 | 0 | 0 | 0 | 110.6 | L159 N160 L169 L172 L197 F210 | L159-L201 HydrophobicContact CB-CD2 4.4Å; N160-L201 WeakPolarHBondContact OD1-CA 3.26Å; L169-L201 HydrophobicContact CD1-CD1 4.11Å; L172-L201 HydrophobicContact CD2-CD1 3.88Å; L197-L201 HydrophobicContact CB-CD1 3.97Å; L197-L201 HydrophobicContact CB-CG 4.14Å; L197-L201 HydrophobicContact CD2-CD2 4.36Å; L197-L201 HydrophobicContact CD2-CG 4.24Å; L197-L201 WeakPolarHBondContact O-CB 3.41Å; L197-L201 WeakPolarHBondContact O-CG 3.49Å; L197-L201 PolarHBondContact O-N 3.22Å; L201-F210 HydrophobicContact CD1-CB 3.78Å; L201-F210 HydrophobicContact CD1-CD2 3.52Å; L201-F210 HydrophobicContact CD1-CE2 4.28Å; L201-F210 HydrophobicContact CD1-CG 3.69Å | ||
| 202 | A | 87.9 | Confident | 92.1 | Very high | 89 Ų | 89 | 43.9 Ų | 43.9 | 74% | 0.736 | 26% | 0.262 | S | S | * | . | trans | -76.1 | -29.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N160 S204 | N160-A202 PolarHBondContact OD1-N 2.93Å; A202-S204 PolarHBondContact O-N 3.35Å | ||
| 203 | L | 88.6 | Confident | 92.1 | Very high | 46 Ų | 46 | 42 Ų | 42 | 24% | 0.241 | 26% | 0.256 | C | S | . | . | trans | -73.2 | 119.3 | -176.2 | -167.3 | 71.7 | 0 | 0 | 0 | 111.2 | V163 T165 L169 | V163-L203 HydrophobicContact CG1-CD2 4.04Å; T165-L203 WeakPolarHBondContact O-CD2 3.36Å; L169-L203 HydrophobicContact CB-CD2 4.07Å; L169-L203 HydrophobicContact CD2-CD2 4.3Å | ||
| 204 | S | 90.1 | Very high | 92.2 | Very high | 84 Ų | 84 | 41.9 Ų | 41.9 | 59% | 0.587 | 26% | 0.256 | S | S | * | . | trans | -135 | 80.6 | 176 | -179.7 | 0 | 0 | 0 | 0 | 109.9 | A202 | A202-S204 PolarHBondContact O-N 3.35Š| ||
| 205 | P | 87.4 | Confident | 92.1 | Very high | 26 Ų | 26 | 43.4 Ų | 43.4 | 17% | 0.169 | 26% | 0.264 | C | S | . | . | trans | -70.8 | 168.4 | -179.5 | 31.6 | -33.3 | 0 | 0 | 0 | 111.4 | E166 L169 S207 G208 | E166-P205 HydrophobicContact CB-CB 4.37Å; E166-P205 HydrophobicContact CB-CG 4.45Å; E166-P205 HydrophobicContact CG-CB 4.45Å; E166-P205 HydrophobicContact CG-CG 4.27Å; L169-P205 HydrophobicContact CD2-CG 3.92Å; P205-S207 PolarHBondContact O-N 2.94Å; P205-G208 WeakPolarHBondContact CD-O 3.49Å; P205-G208 WeakPolarHBondContact CG-O 3.35Å; P205-G208 PolarHBondContact O-N 3.31Å; P205-G208 VanDerWaalsContact O-N 3.1Å | ||
| 206 | A | 85.5 | Confident | 92.1 | Very high | 114 Ų | 114 | 48.6 Ų | 48.6 | 94% | 0.942 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -24.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G208 | A206-G208 PolarHBondContact O-N 3.07Š|
| 207 | S | 84.9 | Confident | 92.2 | Very high | 54 Ų | 54 | 48.5 Ų | 48.5 | 38% | 0.378 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -14.7 | 176.4 | 60.8 | 0 | 0 | 0 | 0 | 114.3 | E166 P205 | E166-S207 WeakPolarHBondContact CG-OG 3.41Å; E166-S207 WeakPolarHBondContact OE1-CB 3.18Å; E166-S207 PolarHBondContact OE1-OG 3.49Å; E166-S207 PolarHBondContact OE2-OG 2.96Å; P205-S207 PolarHBondContact O-N 2.94Å |
| 208 | G | 89.1 | Confident | 92.2 | Very high | 5 Ų | 5 | 48.8 Ų | 48.8 | 5% | 0.052 | 29% | 0.285 | C | S | . | . | trans | 131.7 | 153.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P205 A206 | P205-G208 WeakPolarHBondContact CD-O 3.49Å; P205-G208 WeakPolarHBondContact CG-O 3.35Å; P205-G208 PolarHBondContact O-N 3.31Å; P205-G208 VanDerWaalsContact O-N 3.1Å; A206-G208 PolarHBondContact O-N 3.07Å | ||
| 209 | N | 92.9 | Very high | 92.4 | Very high | 42 Ų | 42 | 51.9 Ų | 51.9 | 23% | 0.225 | 30% | 0.297 | C | S | . | . | trans | -73.3 | 170.8 | 173.6 | 63 | 36 | 0 | 0 | 0 | 112 | R211 Q212 L213 | N209-R211 PolarHBondContact O-N 3.02Å; N209-R211 VanDerWaalsContact O-N 3.12Å; N209-R211 WeakPolarHBondContact OD1-CB 3.35Å; N209-R211 PolarHBondContact OD1-N 2.96Å; N209-Q212 PolarHBondContact O-N 3.35Å; N209-Q212 WeakPolarHBondContact OD1-CG 3.21Å; N209-Q212 PolarHBondContact OD1-N 3.44Å; N209-L213 PolarHBondContact O-N 2.98Å | ||
| 210 | F | 95.1 | Very high | 92.6 | Very high | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.018 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -45 | -47.6 | 178.9 | 178.7 | -95.8 | 0 | 0 | 0 | 113.2 | L169 L172 V173 L176 C194 L197 L201 Q212 L213 L214 | L169-F210 HydrophobicContact CD1-CB 4.17Å; L169-F210 HydrophobicContact CD1-CD2 4Å; L172-F210 HydrophobicContact CD2-CD2 4.38Å; L172-F210 HydrophobicContact CD2-CE2 4.18Å; L172-F210 HydrophobicContact CG-CE2 4.26Å; V173-F210 HydrophobicContact CG2-CD2 3.55Å; V173-F210 HydrophobicContact CG2-CE2 3.52Å; V173-F210 HydrophobicContact CG2-CG 4.44Å; V173-F210 HydrophobicContact CG2-CZ 4.39Å; L176-F210 HydrophobicContact CD1-CE2 3.69Å; L176-F210 HydrophobicContact CD1-CZ 3.56Å; C194-F210 HydrophobicContact CB-CE1 4.3Å; L197-F210 HydrophobicContact CB-CD1 4.21Å; L197-F210 HydrophobicContact CB-CE1 4.02Å; L197-F210 HydrophobicContact CB-CZ 4.25Å; L197-F210 HydrophobicContact CD1-CZ 4.29Å; L201-F210 HydrophobicContact CD1-CB 3.78Å; L201-F210 HydrophobicContact CD1-CD2 3.52Å; L201-F210 HydrophobicContact CD1-CE2 4.28Å; L201-F210 HydrophobicContact CD1-CG 3.69Å; F210-Q212 PolarHBondContact O-N 3.49Å; F210-L213 PolarHBondContact O-N 2.97Å; F210-L214 HydrophobicContact CE1-CD2 4.17Å; F210-L214 WeakPolarHBondContact O-CB 3.5Å; F210-L214 PolarHBondContact O-N 3.42Å |
| 211 | R | 94.4 | Very high | 92.7 | Very high | 56 Ų | 56 | 51.7 Ų | 51.7 | 21% | 0.211 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.1 | -45.1 | -179.8 | -172.6 | -178 | 64.6 | -171.3 | 0.3 | 112.2 | N209 L214 L215 L253 | N209-R211 PolarHBondContact O-N 3.02Å; N209-R211 VanDerWaalsContact O-N 3.12Å; N209-R211 WeakPolarHBondContact OD1-CB 3.35Å; N209-R211 PolarHBondContact OD1-N 2.96Å; R211-L214 PolarHBondContact O-N 3.06Å; R211-L215 HydrophobicContact CG-CD1 4.33Å; R211-L215 VanDerWaalsContact O-CG 3.32Å; R211-L215 WeakPolarHBondContact O-CG 3.35Å; R211-L215 PolarHBondContact O-N 3.22Å; R211-L253 HydrophobicContact CG-CD1 4.34Å; R211-L253 HydrophobicContact CG-CD2 4.14Å |
| 212 | Q | 93.9 | Very high | 92.9 | Very high | 101 Ų | 101 | 52.8 Ų | 52.8 | 47% | 0.472 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 179.6 | -72.3 | 168.6 | -40.8 | 0 | 0 | 111.2 | N209 F210 L215 K216 | N209-Q212 PolarHBondContact O-N 3.35Å; N209-Q212 WeakPolarHBondContact OD1-CG 3.21Å; N209-Q212 PolarHBondContact OD1-N 3.44Å; F210-Q212 PolarHBondContact O-N 3.49Å; Q212-L215 PolarHBondContact O-N 3.47Å; Q212-K216 WeakPolarHBondContact O-CB 3.41Å; Q212-K216 PolarHBondContact O-N 2.67Å |
| 213 | L | 95.9 | Very high | 93.4 | Very high | 14 Ų | 14 | 54.5 Ų | 54.5 | 7% | 0.073 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 176.6 | -66.6 | 175.6 | 0 | 0 | 0 | 111.7 | L169 Q170 V173 N209 F210 K216 R217 | L169-L213 HydrophobicContact CD2-CD1 3.59Å; L169-L213 HydrophobicContact CG-CD1 3.72Å; Q170-L213 HydrophobicContact CG-CD1 4.22Å; V173-L213 HydrophobicContact CG2-CB 3.97Å; N209-L213 PolarHBondContact O-N 2.98Å; F210-L213 PolarHBondContact O-N 2.97Å; L213-K216 PolarHBondContact O-N 3.49Å; L213-R217 WeakPolarHBondContact O-CB 3.45Å; L213-R217 PolarHBondContact O-N 3.24Å |
| 214 | L | 96.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.2 | -46.3 | 174.3 | 178.8 | 65.4 | 0 | 0 | 0 | 112 | V173 C194 F210 R211 K216 R217 C218 L249 | V173-L214 HydrophobicContact CG1-CB 4.32Å; V173-L214 HydrophobicContact CG1-CD1 4.36Å; C194-L214 HydrophobicContact CB-CD2 3.7Å; F210-L214 HydrophobicContact CE1-CD2 4.17Å; F210-L214 WeakPolarHBondContact O-CB 3.5Å; F210-L214 PolarHBondContact O-N 3.42Å; R211-L214 PolarHBondContact O-N 3.06Å; L214-K216 VanDerWaalsContact C-N 3.34Å; L214-K216 PolarHBondContact O-N 2.56Å; L214-R217 PolarHBondContact O-N 3.44Å; L214-C218 PolarHBondContact O-N 3.41Å; L214-C218 PolarHBondContact O-SG 2.92Å; L214-L249 HydrophobicContact CD2-CD1 3.96Å; L214-L249 HydrophobicContact CD2-CD2 4.15Å; L214-L249 HydrophobicContact CG-CD2 4.44Å |
| 215 | L | 95.6 | Very high | 94 | Very high | 32 Ų | 32 | 56.2 Ų | 56.2 | 17% | 0.168 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 177.4 | -70.9 | 174 | 0 | 0 | 0 | 111.7 | R211 Q212 C218 Q219 L253 I267 L268 | R211-L215 HydrophobicContact CG-CD1 4.33Å; R211-L215 VanDerWaalsContact O-CG 3.32Å; R211-L215 WeakPolarHBondContact O-CG 3.35Å; R211-L215 PolarHBondContact O-N 3.22Å; Q212-L215 PolarHBondContact O-N 3.47Å; L215-C218 PolarHBondContact O-N 2.87Å; L215-Q219 PolarHBondContact O-N 3.04Å; L215-L253 HydrophobicContact CD2-CD2 4.14Å; L215-I267 HydrophobicContact CD1-CG2 4.41Å; L215-I267 HydrophobicContact CD2-CG2 4.34Å; L215-L268 HydrophobicContact CD2-CD1 4.15Å; L215-L268 HydrophobicContact CD2-CD2 3.8Å; L215-L268 HydrophobicContact CD2-CG 4Å |
| 216 | K | 95.5 | Very high | 94.4 | Very high | 138 Ų | 138 | 57 Ų | 57 | 60% | 0.6 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62.5 | -42.4 | 174.1 | -173.7 | -178.5 | 178.8 | -174.1 | 0 | 111.4 | Q212 L213 L214 C218 Q219 T220 | Q212-K216 WeakPolarHBondContact O-CB 3.41Å; Q212-K216 PolarHBondContact O-N 2.67Å; L213-K216 PolarHBondContact O-N 3.49Å; L214-K216 VanDerWaalsContact C-N 3.34Å; L214-K216 PolarHBondContact O-N 2.56Å; K216-C218 VanDerWaalsContact C-N 3.35Å; K216-C218 PolarHBondContact O-N 2.95Å; K216-Q219 WeakPolarHBondContact O-CB 3.4Å; K216-Q219 PolarHBondContact O-N 3.4Å; K216-Q219 VanDerWaalsContact O-N 3.16Å; K216-T220 PolarHBondContact O-N 2.95Å; K216-T220 PolarHBondContact O-OG1 3.37Å |
| 217 | R | 95.9 | Very high | 94.9 | Very high | 42 Ų | 42 | 57 Ų | 57 | 16% | 0.158 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.2 | -42 | 175.2 | 178.2 | 57.3 | -179.8 | 97 | -7.3 | 112.2 | V173 E174 Y177 L213 L214 Q219 T220 E221 | V173-R217 HydrophobicContact CG1-CB 4.04Å; V173-R217 HydrophobicContact CG1-CG 4.45Å; E174-R217 VanDerWaalsContact CD-NE 3.3Å; E174-R217 IonicContact OE1-CZ 3.53Å; E174-R217 IonicContact OE1-NE 3.67Å; E174-R217 PolarHBondContact OE1-NE 2.94Å; E174-R217 VanDerWaalsContact OE1-NE 3.15Å; E174-R217 IonicContact OE1-NH2 2.68Å; E174-R217 PolarHBondContact OE1-NH2 3.08Å; E174-R217 WeakPolarHBondContact OE2-CD 3.4Å; E174-R217 IonicContact OE2-CZ 3.35Å; E174-R217 IonicContact OE2-NE 2.8Å; E174-R217 PolarHBondContact OE2-NE 3.42Å; E174-R217 IonicContact OE2-NH2 3.41Å; Y177-R217 HydrophobicContact CD1-CG 4.18Å; Y177-R217 VanDerWaalsContact CD1-CZ 3.43Å; Y177-R217 HydrophobicContact CD2-CG 4.14Å; Y177-R217 VanDerWaalsContact CE1-NH2 3.32Å; Y177-R217 HydrophobicContact CG-CG 3.83Å; L213-R217 WeakPolarHBondContact O-CB 3.45Å; L213-R217 PolarHBondContact O-N 3.24Å; L214-R217 PolarHBondContact O-N 3.44Å; R217-Q219 VanDerWaalsContact C-N 3.28Å; R217-Q219 PolarHBondContact O-N 3.02Å; R217-T220 PolarHBondContact O-N 3.16Å; R217-E221 IonicContact CZ-OE1 2.67Å; R217-E221 IonicContact NH1-OE1 2.64Å; R217-E221 PolarHBondContact NH1-OE1 2.87Å; R217-E221 IonicContact NH2-OE1 3.52Å; R217-E221 PolarHBondContact NH2-OE1 3.18Å |
| 218 | C | 96.8 | Very high | 95.4 | Very high | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.034 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.4 | -33.6 | 174.6 | -67 | 0 | 0 | 0 | 0 | 112.1 | L214 L215 K216 E221 Y222 Y242 L246 | L214-C218 PolarHBondContact O-N 3.41Å; L214-C218 PolarHBondContact O-SG 2.92Å; L215-C218 PolarHBondContact O-N 2.87Å; K216-C218 VanDerWaalsContact C-N 3.35Å; K216-C218 PolarHBondContact O-N 2.95Å; C218-E221 PolarHBondContact O-N 3.34Å; C218-Y222 WeakPolarHBondContact O-CB 3.11Å; C218-Y222 PolarHBondContact O-N 3.35Å; C218-Y222 VanDerWaalsContact O-N 3.07Å; C218-Y242 HydrophobicContact CB-CE2 4.38Å; C218-Y242 PolarHBondContact O-OH 2.92Å; C218-L246 HydrophobicContact CB-CD1 3.76Å |
| 219 | Q | 96.5 | Very high | 95.8 | Very high | 91 Ų | 91 | 54.9 Ų | 54.9 | 43% | 0.425 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 177.2 | -176 | -177.7 | -12.2 | 0 | 0 | 112.1 | L215 K216 R217 E221 Y222 E223 | L215-Q219 PolarHBondContact O-N 3.04Å; K216-Q219 WeakPolarHBondContact O-CB 3.4Å; K216-Q219 PolarHBondContact O-N 3.4Å; K216-Q219 VanDerWaalsContact O-N 3.16Å; R217-Q219 VanDerWaalsContact C-N 3.28Å; R217-Q219 PolarHBondContact O-N 3.02Å; Q219-E221 PolarHBondContact O-N 3.37Å; Q219-Y222 WeakPolarHBondContact O-CB 3.42Å; Q219-Y222 PolarHBondContact O-N 2.82Å; Q219-Y222 VanDerWaalsContact O-N 3.14Å; Q219-E223 HydrophobicContact CG-CG 4.48Å; Q219-E223 PolarHBondContact NE2-OE1 3.32Å; Q219-E223 WeakPolarHBondContact O-CG 3.45Å; Q219-E223 PolarHBondContact O-N 3.46Å |
| 220 | T | 95.7 | Very high | 96 | Very high | 67 Ų | 67 | 60.3 Ų | 60.3 | 41% | 0.411 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -54.8 | -37.6 | 177.6 | -54.3 | 0 | 0 | 0 | 0 | 112.5 | K216 R217 | K216-T220 PolarHBondContact O-N 2.95Å; K216-T220 PolarHBondContact O-OG1 3.37Å; R217-T220 PolarHBondContact O-N 3.16Å |
| 221 | E | 95.4 | Very high | 96 | Very high | 54 Ų | 54 | 61.1 Ų | 61.1 | 25% | 0.252 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -81.8 | -37.3 | 179.7 | -63.9 | -75.8 | 168.6 | 0 | 0 | 111.5 | Y177 R217 C218 Q219 E223 Q224 R225 Y242 | Y177-E221 HydrophobicContact CE1-CG 4.36Å; Y177-E221 VanDerWaalsContact OH-CG 3.29Å; Y177-E221 WeakPolarHBondContact OH-CG 3.43Å; R217-E221 IonicContact CZ-OE1 2.67Å; R217-E221 IonicContact NH1-OE1 2.64Å; R217-E221 PolarHBondContact NH1-OE1 2.87Å; R217-E221 IonicContact NH2-OE1 3.52Å; R217-E221 PolarHBondContact NH2-OE1 3.18Å; C218-E221 PolarHBondContact O-N 3.34Å; Q219-E221 PolarHBondContact O-N 3.37Å; E221-E223 PolarHBondContact O-N 2.91Å; E221-Q224 PolarHBondContact O-N 3.33Å; E221-R225 PolarHBondContact O-N 3.17Å; E221-Y242 HydrophobicContact CB-CD2 3.98Å; E221-Y242 HydrophobicContact CB-CE1 4.28Å; E221-Y242 HydrophobicContact CB-CE2 3.67Å; E221-Y242 HydrophobicContact CB-CG 4.38Å; E221-Y242 HydrophobicContact CG-CE2 4.47Å |
| 222 | Y | 97.4 | Very high | 96.1 | Very high | 45 Ų | 45 | 63 Ų | 63 | 18% | 0.176 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56.6 | -38.1 | 173.9 | 173.9 | -99.2 | 0 | 0 | 0 | 112.3 | C218 Q219 Q224 R225 Y242 A271 E274 L275 | C218-Y222 WeakPolarHBondContact O-CB 3.11Å; C218-Y222 PolarHBondContact O-N 3.35Å; C218-Y222 VanDerWaalsContact O-N 3.07Å; Q219-Y222 WeakPolarHBondContact O-CB 3.42Å; Q219-Y222 PolarHBondContact O-N 2.82Å; Q219-Y222 VanDerWaalsContact O-N 3.14Å; Y222-Q224 PolarHBondContact O-N 2.74Å; Y222-R225 VanDerWaalsContact O-CB 3.31Å; Y222-R225 WeakPolarHBondContact O-CB 3.45Å; Y222-R225 WeakPolarHBondContact O-CD 3.41Å; Y222-R225 WeakPolarHBondContact O-CG 3.31Å; Y222-R225 PolarHBondContact O-N 2.8Å; Y222-R225 PolarHBondContact O-NH1 3.39Å; Y222-Y242 WeakPolarHBondContact CB-OH 3.31Å; Y222-Y242 PolarHBondContact N-OH 3.18Å; Y222-A271 HydrophobicContact CD2-CB 4.01Å; Y222-A271 HydrophobicContact CE2-CB 3.92Å; Y222-E274 HydrophobicContact CE2-CB 3.95Å; Y222-E274 WeakPolarHBondContact OH-CB 3.33Å; Y222-E274 WeakPolarHBondContact OH-CG 3.11Å; Y222-L275 HydrophobicContact CD2-CD1 4.4Å; Y222-L275 HydrophobicContact CD2-CD2 4Å; Y222-L275 HydrophobicContact CD2-CG 4.04Å; Y222-L275 HydrophobicContact CE2-CD2 4.37Å; Y222-L275 HydrophobicContact CE2-CG 4.17Å |
| 223 | E | 97.4 | Very high | 96.2 | Very high | 124 Ų | 124 | 61.8 Ų | 61.8 | 58% | 0.579 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -64 | -27.5 | 177.9 | -73.4 | 173.9 | -173.2 | 0 | 0 | 112.3 | Q219 E221 | Q219-E223 HydrophobicContact CG-CG 4.48Å; Q219-E223 PolarHBondContact NE2-OE1 3.32Å; Q219-E223 WeakPolarHBondContact O-CG 3.45Å; Q219-E223 PolarHBondContact O-N 3.46Å; E221-E223 PolarHBondContact O-N 2.91Å |
| 224 | Q | 95.6 | Very high | 96.1 | Very high | 103 Ų | 103 | 66.1 Ų | 66.1 | 48% | 0.481 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -3.7 | 179.4 | -59.1 | -178 | 36.5 | 0 | 0 | 113.9 | E221 Y222 G226 V227 A228 | E221-Q224 PolarHBondContact O-N 3.33Å; Y222-Q224 PolarHBondContact O-N 2.74Å; Q224-G226 PolarHBondContact O-N 3.36Å; Q224-V227 PolarHBondContact O-N 2.97Å; Q224-A228 PolarHBondContact O-N 3.17Å |
| 225 | R | 97.1 | Very high | 96.1 | Very high | 63 Ų | 63 | 68.8 Ų | 68.8 | 24% | 0.238 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -49.7 | -37.2 | -174 | 72.6 | -169.7 | 178.7 | -72.1 | 0.4 | 114.8 | E221 Y222 A228 V229 F239 L275 A278 | E221-R225 PolarHBondContact O-N 3.17Å; Y222-R225 VanDerWaalsContact O-CB 3.31Å; Y222-R225 WeakPolarHBondContact O-CB 3.45Å; Y222-R225 WeakPolarHBondContact O-CD 3.41Å; Y222-R225 WeakPolarHBondContact O-CG 3.31Å; Y222-R225 PolarHBondContact O-N 2.8Å; Y222-R225 PolarHBondContact O-NH1 3.39Å; R225-A228 PolarHBondContact O-N 2.68Å; R225-V229 WeakPolarHBondContact O-CB 3.35Å; R225-V229 WeakPolarHBondContact O-CG1 3.4Å; R225-V229 PolarHBondContact O-N 2.9Å; R225-F239 HydrophobicContact CB-CE2 3.69Å; R225-F239 HydrophobicContact CB-CZ 3.81Å; R225-L275 HydrophobicContact CB-CD2 3.87Å; R225-A278 HydrophobicContact CG-CB 4.36Å |
| 226 | G | 95 | Very high | 96.1 | Very high | 42 Ų | 42 | 68.6 Ų | 68.6 | 43% | 0.433 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -69 | -34.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q224 | Q224-G226 PolarHBondContact O-N 3.36Å |
| 227 | V | 96.1 | Very high | 96.1 | Very high | 116 Ų | 116 | 69.2 Ų | 69.2 | 70% | 0.703 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -79.6 | -45.6 | 174.2 | -179.8 | 0 | 0 | 0 | 0 | 109.4 | Q224 V229 R230 G231 | Q224-V227 PolarHBondContact O-N 2.97Å; V227-V229 VanDerWaalsContact C-N 3.32Å; V227-V229 PolarHBondContact O-N 3.42Å; V227-R230 CarbonylContact O-C 3.47Å; V227-R230 PolarHBondContact O-N 3.37Å; V227-G231 PolarHBondContact O-N 3.37Å |
| 228 | A | 96.6 | Very high | 96.1 | Very high | 12 Ų | 12 | 74.7 Ų | 74.7 | 10% | 0.099 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.8 | -39.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q224 R225 R230 G231 T235 F239 | Q224-A228 PolarHBondContact O-N 3.17Å; R225-A228 PolarHBondContact O-N 2.68Å; A228-R230 PolarHBondContact O-N 3.03Å; A228-G231 PolarHBondContact O-N 3.21Å; A228-G231 VanDerWaalsContact O-N 3.1Å; A228-T235 HydrophobicContact CB-CG2 4.27Å; A228-F239 HydrophobicContact CB-CB 3.88Å; A228-F239 HydrophobicContact CB-CD1 4.4Å; A228-F239 HydrophobicContact CB-CD2 3.66Å; A228-F239 HydrophobicContact CB-CE2 4.32Å; A228-F239 HydrophobicContact CB-CG 3.71Å |
| 229 | V | 96.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 74.9 Ų | 74.9 | 1% | 0.006 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -19.3 | 179.3 | 81.8 | 0 | 0 | 0 | 0 | 113.8 | R225 V227 F239 A278 L279 H282 N287 | R225-V229 WeakPolarHBondContact O-CB 3.35Å; R225-V229 WeakPolarHBondContact O-CG1 3.4Å; R225-V229 PolarHBondContact O-N 2.9Å; V227-V229 VanDerWaalsContact C-N 3.32Å; V227-V229 PolarHBondContact O-N 3.42Å; V229-F239 HydrophobicContact CB-CE1 4.08Å; V229-F239 HydrophobicContact CG2-CE1 4.15Å; V229-A278 WeakPolarHBondContact CG2-O 3.37Å; V229-L279 HydrophobicContact CG2-CD2 4.21Å; V229-H282 HydrophobicContact CG1-CB 4.35Å; V229-H282 HydrophobicContact CG2-CB 4.28Å; V229-H282 PolarHBondContact O-CD2 3.46Å; V229-N287 WeakPolarHBondContact CG2-ND2 3.45Å; V229-N287 PolarHBondContact O-ND2 3.39Å |
| 230 | R | 96.8 | Very high | 96.1 | Very high | 157 Ų | 157 | 72 Ų | 72 | 59% | 0.592 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | 3.9 | 177 | -60 | 176.5 | -176 | -95 | -5.5 | 112.3 | V227 A228 H282 | V227-R230 CarbonylContact O-C 3.47Å; V227-R230 PolarHBondContact O-N 3.37Å; A228-R230 PolarHBondContact O-N 3.03Å; R230-H282 HydrophobicContact CG-CB 4.48Å |
| 231 | G | 95.9 | Very high | 96.1 | Very high | 21 Ų | 21 | 70 Ų | 70 | 22% | 0.216 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -67.1 | 177.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V227 A228 Q236 | V227-G231 PolarHBondContact O-N 3.37Å; A228-G231 PolarHBondContact O-N 3.21Å; A228-G231 VanDerWaalsContact O-N 3.1Å; G231-Q236 PolarHBondContact O-NE2 3.41Å |
| 232 | D | 96.4 | Very high | 96.2 | Very high | 94 Ų | 94 | 67.7 Ų | 67.7 | 50% | 0.503 | 35% | 0.354 | S | S | . | . | trans | -67.1 | 174.9 | 169 | 68.8 | -49.5 | 0 | 0 | 0 | 111.7 | D234 T235 Q236 | D232-D234 VanDerWaalsContact C-N 3.28Å; D232-D234 PolarHBondContact O-N 3.34Å; D232-T235 PolarHBondContact O-N 3.06Å; D232-T235 WeakPolarHBondContact OD1-CB 3.4Å; D232-T235 PolarHBondContact OD1-N 3.21Å; D232-T235 PolarHBondContact OD1-OG1 2.94Å; D232-Q236 WeakPolarHBondContact O-CG 3.48Å; D232-Q236 PolarHBondContact O-N 3.03Å | ||
| 233 | A | 95.1 | Very high | 96.2 | Very high | 77 Ų | 77 | 65.5 Ų | 65.5 | 64% | 0.636 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -58.1 | -38.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K237 | A233-K237 VanDerWaalsContact O-CB 3.31Å; A233-K237 WeakPolarHBondContact O-CB 3.37Å; A233-K237 PolarHBondContact O-N 3.3Å |
| 234 | D | 94.9 | Very high | 96.2 | Very high | 105 Ų | 105 | 61.6 Ų | 61.6 | 56% | 0.561 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -73.1 | -40.3 | -179.8 | -70.8 | -33.6 | 0 | 0 | 0 | 111.8 | D232 K237 K238 | D232-D234 VanDerWaalsContact C-N 3.28Å; D232-D234 PolarHBondContact O-N 3.34Å; D234-K237 PolarHBondContact O-N 3.36Å; D234-K238 WeakPolarHBondContact O-CG 3.41Å; D234-K238 PolarHBondContact O-N 2.86Å |
| 235 | T | 96.1 | Very high | 96.3 | Very high | 55 Ų | 55 | 56.7 Ų | 56.7 | 34% | 0.337 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 173.5 | -61 | 0 | 0 | 0 | 0 | 111.3 | A228 D232 K237 K238 F239 | A228-T235 HydrophobicContact CB-CG2 4.27Å; D232-T235 PolarHBondContact O-N 3.06Å; D232-T235 WeakPolarHBondContact OD1-CB 3.4Å; D232-T235 PolarHBondContact OD1-N 3.21Å; D232-T235 PolarHBondContact OD1-OG1 2.94Å; T235-K237 VanDerWaalsContact C-N 3.35Å; T235-K237 PolarHBondContact O-N 3.39Å; T235-K238 PolarHBondContact O-N 3.5Å; T235-F239 WeakPolarHBondContact O-CB 3.39Å; T235-F239 PolarHBondContact O-N 3.45Å |
| 236 | Q | 96.5 | Very high | 96.3 | Very high | 29 Ų | 29 | 53.7 Ų | 53.7 | 14% | 0.136 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 175.8 | -72.7 | -178.3 | 10.8 | 0 | 0 | 111.4 | G231 D232 K238 F239 H240 | G231-Q236 PolarHBondContact O-NE2 3.41Å; D232-Q236 WeakPolarHBondContact O-CG 3.48Å; D232-Q236 PolarHBondContact O-N 3.03Å; Q236-K238 PolarHBondContact O-N 3.25Å; Q236-F239 CarbonylContact O-C 3.58Å; Q236-F239 WeakPolarHBondContact O-CB 3.46Å; Q236-F239 PolarHBondContact O-N 3.46Å; Q236-H240 PolarHBondContact O-CD2 2.97Å; Q236-H240 PolarHBondContact O-N 3.36Å; Q236-H240 PolarHBondContact O-ND1 2.93Å; Q236-H240 PolarHBondContact O-NE2 3.41Å |
| 237 | K | 95.3 | Very high | 96.4 | Very high | 151 Ų | 151 | 51.7 Ų | 51.7 | 66% | 0.657 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -60 | -46 | 177.7 | -176.7 | -177.9 | 176.3 | -173.4 | 0 | 111.9 | A233 D234 T235 F239 H240 A241 | A233-K237 VanDerWaalsContact O-CB 3.31Å; A233-K237 WeakPolarHBondContact O-CB 3.37Å; A233-K237 PolarHBondContact O-N 3.3Å; D234-K237 PolarHBondContact O-N 3.36Å; T235-K237 VanDerWaalsContact C-N 3.35Å; T235-K237 PolarHBondContact O-N 3.39Å; K237-F239 VanDerWaalsContact C-N 3.34Å; K237-H240 PolarHBondContact O-N 3.07Å; K237-A241 PolarHBondContact O-N 3.05Å |
| 238 | K | 95 | Very high | 96.5 | Very high | 156 Ų | 156 | 47.6 Ų | 47.6 | 68% | 0.678 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -61.6 | -43.4 | 174.9 | -70.8 | 176.2 | -178.1 | -179.7 | 0 | 111.3 | D234 T235 Q236 H240 A241 Y242 | D234-K238 WeakPolarHBondContact O-CG 3.41Å; D234-K238 PolarHBondContact O-N 2.86Å; T235-K238 PolarHBondContact O-N 3.5Å; Q236-K238 PolarHBondContact O-N 3.25Å; K238-H240 PolarHBondContact O-N 2.8Å; K238-A241 PolarHBondContact O-N 2.94Å; K238-Y242 PolarHBondContact O-N 2.84Å |
| 239 | F | 96.9 | Very high | 96.5 | Very high | 10 Ų | 10 | 47 Ų | 47 | 4% | 0.044 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62 | -41.6 | 176 | -178.4 | -117.4 | 0 | 0 | 0 | 112.5 | R225 A228 V229 T235 Q236 K237 A241 Y242 V243 L275 L279 | R225-F239 HydrophobicContact CB-CE2 3.69Å; R225-F239 HydrophobicContact CB-CZ 3.81Å; A228-F239 HydrophobicContact CB-CB 3.88Å; A228-F239 HydrophobicContact CB-CD1 4.4Å; A228-F239 HydrophobicContact CB-CD2 3.66Å; A228-F239 HydrophobicContact CB-CE2 4.32Å; A228-F239 HydrophobicContact CB-CG 3.71Å; V229-F239 HydrophobicContact CB-CE1 4.08Å; V229-F239 HydrophobicContact CG2-CE1 4.15Å; T235-F239 WeakPolarHBondContact O-CB 3.39Å; T235-F239 PolarHBondContact O-N 3.45Å; Q236-F239 CarbonylContact O-C 3.58Å; Q236-F239 WeakPolarHBondContact O-CB 3.46Å; Q236-F239 PolarHBondContact O-N 3.46Å; K237-F239 VanDerWaalsContact C-N 3.34Å; F239-A241 PolarHBondContact O-N 3.13Å; F239-Y242 HydrophobicContact CD2-CD1 4.12Å; F239-Y242 HydrophobicContact CE2-CD1 4.18Å; F239-Y242 HydrophobicContact CE2-CE1 4.48Å; F239-Y242 WeakPolarHBondContact O-CB 3.33Å; F239-Y242 PolarHBondContact O-N 3.28Å; F239-V243 HydrophobicContact CD1-CG2 4.36Å; F239-V243 HydrophobicContact CD2-CG2 4.31Å; F239-V243 HydrophobicContact CE1-CG2 3.98Å; F239-V243 HydrophobicContact CE2-CG2 3.92Å; F239-V243 HydrophobicContact CZ-CG2 3.74Å; F239-V243 VanDerWaalsContact O-CG2 3.27Å; F239-V243 WeakPolarHBondContact O-CG2 3.35Å; F239-V243 PolarHBondContact O-N 3.04Å; F239-L275 HydrophobicContact CE2-CD2 3.76Å; F239-L275 HydrophobicContact CZ-CD2 3.7Å; F239-L279 HydrophobicContact CD1-CD2 4.22Å; F239-L279 HydrophobicContact CE1-CD2 3.73Å; F239-L279 HydrophobicContact CE1-CG 4.27Å |
| 240 | H | 96.8 | Very high | 96.5 | Very high | 31 Ų | 31 | 47.1 Ų | 47.1 | 14% | 0.144 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.3 | -41 | 177 | -61.3 | 163.2 | 0 | 0 | 0 | 111.9 | Q236 K237 K238 V243 L244 G286 N287 C290 | Q236-H240 PolarHBondContact O-CD2 2.97Å; Q236-H240 PolarHBondContact O-N 3.36Å; Q236-H240 PolarHBondContact O-ND1 2.93Å; Q236-H240 PolarHBondContact O-NE2 3.41Å; K237-H240 PolarHBondContact O-N 3.07Å; K238-H240 PolarHBondContact O-N 2.8Å; H240-V243 PolarHBondContact O-N 3.38Å; H240-L244 WeakPolarHBondContact O-CG 3.46Å; H240-L244 PolarHBondContact O-N 2.88Å; H240-G286 PolarHBondContact CE1-O 3.33Å; H240-G286 VanDerWaalsContact CE1-O 3.31Å; H240-N287 PolarHBondContact NE2-OD1 2.74Å; H240-C290 HydrophobicContact CB-CB 4.02Å |
| 241 | A | 96.3 | Very high | 96.4 | Very high | 25 Ų | 25 | 41.3 Ų | 41.3 | 21% | 0.207 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.6 | -43.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | T181 K237 K238 F239 V243 L244 F245 | T181-A241 WeakPolarHBondContact O-CB 3.03Å; K237-A241 PolarHBondContact O-N 3.05Å; K238-A241 PolarHBondContact O-N 2.94Å; F239-A241 PolarHBondContact O-N 3.13Å; A241-V243 PolarHBondContact O-N 3.38Å; A241-L244 PolarHBondContact O-N 3.5Å; A241-F245 WeakPolarHBondContact O-CB 3.39Å; A241-F245 PolarHBondContact O-N 3.3Å |
| 242 | Y | 96.8 | Very high | 96.3 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.2 | -48 | 172.1 | 164.2 | -102.7 | 0 | 0 | 0 | 112.6 | Y177 C218 E221 Y222 K238 F239 L244 F245 L246 L275 | Y177-Y242 AromaticContact CE2-CD2 3.87Å; Y177-Y242 HydrophobicContact CE2-CD2 3.87Å; Y177-Y242 HydrophobicContact CE2-CE2 4.19Å; Y177-Y242 AromaticContact CZ-CD2 3.99Å; Y177-Y242 WeakPolarHBondContact OH-CD2 3.42Å; C218-Y242 HydrophobicContact CB-CE2 4.38Å; C218-Y242 PolarHBondContact O-OH 2.92Å; E221-Y242 HydrophobicContact CB-CD2 3.98Å; E221-Y242 HydrophobicContact CB-CE1 4.28Å; E221-Y242 HydrophobicContact CB-CE2 3.67Å; E221-Y242 HydrophobicContact CB-CG 4.38Å; E221-Y242 HydrophobicContact CG-CE2 4.47Å; Y222-Y242 WeakPolarHBondContact CB-OH 3.31Å; Y222-Y242 PolarHBondContact N-OH 3.18Å; K238-Y242 PolarHBondContact O-N 2.84Å; F239-Y242 HydrophobicContact CD2-CD1 4.12Å; F239-Y242 HydrophobicContact CE2-CD1 4.18Å; F239-Y242 HydrophobicContact CE2-CE1 4.48Å; F239-Y242 WeakPolarHBondContact O-CB 3.33Å; F239-Y242 PolarHBondContact O-N 3.28Å; Y242-L244 VanDerWaalsContact C-N 3.34Å; Y242-L244 PolarHBondContact O-N 2.87Å; Y242-F245 PolarHBondContact O-N 2.64Å; Y242-L246 HydrophobicContact CE2-CD1 4.15Å; Y242-L246 WeakPolarHBondContact O-CB 3.49Å; Y242-L246 PolarHBondContact O-N 3.41Å; Y242-L275 HydrophobicContact CE1-CD1 4.12Å; Y242-L275 HydrophobicContact CE1-CD2 4.15Å |
| 243 | V | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.2 | -44 | -180 | 169.1 | 0 | 0 | 0 | 0 | 111.5 | F239 H240 A241 L246 G247 L275 L279 L294 | F239-V243 HydrophobicContact CD1-CG2 4.36Å; F239-V243 HydrophobicContact CD2-CG2 4.31Å; F239-V243 HydrophobicContact CE1-CG2 3.98Å; F239-V243 HydrophobicContact CE2-CG2 3.92Å; F239-V243 HydrophobicContact CZ-CG2 3.74Å; F239-V243 VanDerWaalsContact O-CG2 3.27Å; F239-V243 WeakPolarHBondContact O-CG2 3.35Å; F239-V243 PolarHBondContact O-N 3.04Å; H240-V243 PolarHBondContact O-N 3.38Å; A241-V243 PolarHBondContact O-N 3.38Å; V243-L246 PolarHBondContact O-N 3.36Å; V243-G247 PolarHBondContact O-N 2.9Å; V243-G247 VanDerWaalsContact O-N 3.07Å; V243-L275 HydrophobicContact CG2-CB 4.38Å; V243-L275 HydrophobicContact CG2-CD1 4.29Å; V243-L275 HydrophobicContact CG2-CD2 4.17Å; V243-L279 HydrophobicContact CG1-CD1 4.18Å; V243-L294 HydrophobicContact CG1-CB 4.46Å; V243-L294 HydrophobicContact CG1-CD1 4.43Å; V243-L294 HydrophobicContact CG1-CD2 3.68Å; V243-L294 HydrophobicContact CG1-CG 4.4Å |
| 244 | L | 97.3 | Very high | 95.9 | Very high | 41 Ų | 41 | 41.7 Ų | 41.7 | 22% | 0.215 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.3 | -40.4 | 178.9 | -67.5 | 175.3 | 0 | 0 | 0 | 111.8 | H240 A241 Y242 L246 G247 E248 K293 L294 | H240-L244 WeakPolarHBondContact O-CG 3.46Å; H240-L244 PolarHBondContact O-N 2.88Å; A241-L244 PolarHBondContact O-N 3.5Å; Y242-L244 VanDerWaalsContact C-N 3.34Å; Y242-L244 PolarHBondContact O-N 2.87Å; L244-L246 VanDerWaalsContact C-N 3.31Å; L244-L246 PolarHBondContact O-N 3.44Å; L244-G247 WeakPolarHBondContact O-CA 3.48Å; L244-G247 PolarHBondContact O-N 3Å; L244-G247 VanDerWaalsContact O-N 3.13Å; L244-E248 PolarHBondContact O-N 2.89Å; L244-K293 HydrophobicContact CD1-CB 4.5Å; L244-K293 HydrophobicContact CD1-CD 4.19Å; L244-K293 HydrophobicContact CD2-CB 3.76Å; L244-L294 HydrophobicContact CD2-CB 4.22Å |
| 245 | F | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.7 | -42.8 | 172.1 | 172.3 | -111.3 | 0 | 0 | 0 | 111.8 | Y177 T181 A191 A241 Y242 G247 E248 L249 | Y177-F245 HydrophobicContact CD2-CD1 4.49Å; Y177-F245 HydrophobicContact CD2-CE1 4.06Å; Y177-F245 HydrophobicContact CE2-CD1 4.42Å; Y177-F245 HydrophobicContact CE2-CE1 4.4Å; T181-F245 HydrophobicContact CG2-CB 3.95Å; T181-F245 HydrophobicContact CG2-CD1 3.94Å; T181-F245 HydrophobicContact CG2-CG 4.05Å; A191-F245 HydrophobicContact CB-CE2 4.43Å; A241-F245 WeakPolarHBondContact O-CB 3.39Å; A241-F245 PolarHBondContact O-N 3.3Å; Y242-F245 PolarHBondContact O-N 2.64Å; F245-G247 VanDerWaalsContact C-N 3.25Å; F245-G247 PolarHBondContact O-N 3.21Å; F245-E248 PolarHBondContact O-N 3.25Å; F245-L249 HydrophobicContact CE1-CD2 4.42Å; F245-L249 WeakPolarHBondContact O-CB 3.49Å; F245-L249 PolarHBondContact O-N 3.02Å |
| 246 | L | 97.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.1 | -31.9 | 177.1 | -148.8 | 73.7 | 0 | 0 | 0 | 112.2 | C218 Y242 V243 L244 L249 Y250 L268 A271 L272 L275 | C218-L246 HydrophobicContact CB-CD1 3.76Å; Y242-L246 HydrophobicContact CE2-CD1 4.15Å; Y242-L246 WeakPolarHBondContact O-CB 3.49Å; Y242-L246 PolarHBondContact O-N 3.41Å; V243-L246 PolarHBondContact O-N 3.36Å; L244-L246 VanDerWaalsContact C-N 3.31Å; L244-L246 PolarHBondContact O-N 3.44Å; L246-L249 HydrophobicContact CD1-CD2 4.39Å; L246-Y250 WeakPolarHBondContact O-CB 3.43Å; L246-Y250 PolarHBondContact O-N 3.24Å; L246-L268 HydrophobicContact CD1-CD2 3.83Å; L246-L268 HydrophobicContact CD2-CD2 4.3Å; L246-L268 HydrophobicContact CG-CD2 3.97Å; L246-A271 HydrophobicContact CD2-CB 4.09Å; L246-L272 HydrophobicContact CB-CD2 4.29Å; L246-L272 HydrophobicContact CD2-CD2 4.45Å; L246-L275 HydrophobicContact CD2-CD1 3.49Å; L246-L275 VanDerWaalsContact CD2-CD1 3.49Å |
| 247 | G | 97.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.1 | -49.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V243 L244 F245 L249 Y250 L251 | V243-G247 PolarHBondContact O-N 2.9Å; V243-G247 VanDerWaalsContact O-N 3.07Å; L244-G247 WeakPolarHBondContact O-CA 3.48Å; L244-G247 PolarHBondContact O-N 3Å; L244-G247 VanDerWaalsContact O-N 3.13Å; F245-G247 VanDerWaalsContact C-N 3.25Å; F245-G247 PolarHBondContact O-N 3.21Å; G247-L249 VanDerWaalsContact C-N 3.31Å; G247-L249 PolarHBondContact O-N 3.35Å; G247-Y250 PolarHBondContact O-N 2.96Å; G247-L251 WeakPolarHBondContact O-CG 3.24Å; G247-L251 PolarHBondContact O-N 3.22Å |
| 248 | E | 96.9 | Very high | 91.6 | Very high | 29 Ų | 29 | 42.8 Ų | 42.8 | 14% | 0.136 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.1 | -43.1 | 174.4 | -68.7 | -68 | 176.6 | 0 | 0 | 111.4 | A191 L244 F245 Y250 L251 R252 L297 | A191-E248 HydrophobicContact CB-CB 3.67Å; L244-E248 PolarHBondContact O-N 2.89Å; F245-E248 PolarHBondContact O-N 3.25Å; E248-Y250 PolarHBondContact O-N 3.19Å; E248-L251 PolarHBondContact O-N 3Å; E248-R252 WeakPolarHBondContact O-CB 3.34Å; E248-R252 WeakPolarHBondContact O-CG 3.41Å; E248-R252 PolarHBondContact O-N 2.79Å; E248-L297 HydrophobicContact CG-CD2 3.88Å; E248-L297 WeakPolarHBondContact OE1-CD1 3.36Å |
| 249 | L | 96.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.8 | -41.5 | 178.1 | -167.8 | 67.8 | 0 | 0 | 0 | 111.4 | C194 L214 F245 L246 G247 L251 R252 L253 L268 | C194-L249 HydrophobicContact CB-CD1 4.01Å; L214-L249 HydrophobicContact CD2-CD1 3.96Å; L214-L249 HydrophobicContact CD2-CD2 4.15Å; L214-L249 HydrophobicContact CG-CD2 4.44Å; F245-L249 HydrophobicContact CE1-CD2 4.42Å; F245-L249 WeakPolarHBondContact O-CB 3.49Å; F245-L249 PolarHBondContact O-N 3.02Å; L246-L249 HydrophobicContact CD1-CD2 4.39Å; G247-L249 VanDerWaalsContact C-N 3.31Å; G247-L249 PolarHBondContact O-N 3.35Å; L249-L251 VanDerWaalsContact C-N 3.28Å; L249-L251 PolarHBondContact O-N 3.1Å; L249-R252 PolarHBondContact O-N 3.32Å; L249-L253 HydrophobicContact CD1-CB 3.93Å; L249-L253 HydrophobicContact CD1-CD1 4.21Å; L249-L253 HydrophobicContact CD1-CD2 4.11Å; L249-L253 HydrophobicContact CD1-CG 4.32Å; L249-L253 HydrophobicContact CD2-CD2 4.31Å; L249-L253 HydrophobicContact CG-CB 4.05Å; L249-L253 HydrophobicContact CG-CD2 4.03Å; L249-L253 WeakPolarHBondContact O-CA 3.48Å; L249-L253 WeakPolarHBondContact O-CB 3.37Å; L249-L253 PolarHBondContact O-N 2.93Å; L249-L268 HydrophobicContact CB-CD1 4.43Å; L249-L268 HydrophobicContact CD2-CD1 4.15Å; L249-L268 HydrophobicContact CG-CD1 4.07Å |
| 250 | Y | 96.8 | Very high | 88.4 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.2 | -38.3 | 174.9 | 172.5 | -109.3 | 0 | 0 | 0 | 112.7 | L246 G247 E248 R264 L268 L269 L272 V301 L302 T305 | L246-Y250 WeakPolarHBondContact O-CB 3.43Å; L246-Y250 PolarHBondContact O-N 3.24Å; G247-Y250 PolarHBondContact O-N 2.96Å; E248-Y250 PolarHBondContact O-N 3.19Å; Y250-R264 HydrophobicContact CD2-CB 4.32Å; Y250-R264 HydrophobicContact CE2-CB 3.79Å; Y250-R264 HydrophobicContact CE2-CG 4.48Å; Y250-R264 WeakPolarHBondContact O-CD 3.26Å; Y250-L268 HydrophobicContact CD2-CB 3.89Å; Y250-L268 HydrophobicContact CG-CB 4.48Å; Y250-L269 HydrophobicContact CE2-CB 3.94Å; Y250-L269 HydrophobicContact CE2-CD1 4.44Å; Y250-L272 HydrophobicContact CD1-CD1 3.76Å; Y250-L272 HydrophobicContact CD2-CD1 4.46Å; Y250-L272 HydrophobicContact CG-CD1 3.69Å; Y250-V301 HydrophobicContact CE1-CG1 3.93Å; Y250-L302 HydrophobicContact CD1-CD2 4.17Å; Y250-L302 HydrophobicContact CE1-CD2 3.6Å; Y250-L302 HydrophobicContact CE1-CG 4.33Å; Y250-T305 PolarHBondContact OH-OG1 3.13Å |
| 251 | L | 95.8 | Very high | 87.2 | Confident | 36 Ų | 36 | 50.1 Ų | 50.1 | 19% | 0.188 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -72.7 | -32.9 | -179.5 | -66.8 | 178.8 | 0 | 0 | 0 | 112.9 | G247 E248 L249 L297 T298 V301 | G247-L251 WeakPolarHBondContact O-CG 3.24Å; G247-L251 PolarHBondContact O-N 3.22Å; E248-L251 PolarHBondContact O-N 3Å; L249-L251 VanDerWaalsContact C-N 3.28Å; L249-L251 PolarHBondContact O-N 3.1Å; L251-L297 HydrophobicContact CD1-CD1 3.7Å; L251-L297 HydrophobicContact CD1-CG 3.81Å; L251-T298 HydrophobicContact CD1-CG2 4.16Å; L251-T298 HydrophobicContact CD2-CG2 4.39Å; L251-T298 HydrophobicContact CG-CG2 4.13Å; L251-V301 HydrophobicContact CD2-CB 3.97Å; L251-V301 HydrophobicContact CD2-CG1 4.09Å; L251-V301 HydrophobicContact CD2-CG2 3.78Å |
| 252 | R | 94 | Very high | 86.3 | Confident | 106 Ų | 106 | 52.7 Ų | 52.7 | 40% | 0.4 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -107.7 | -26.1 | -168.8 | -61.2 | -63.1 | 178.4 | 175.8 | -3.1 | 114.9 | A191 N195 E248 L249 E254 | A191-R252 HydrophobicContact CB-CB 4.36Å; A191-R252 HydrophobicContact CB-CG 4.45Å; N195-R252 WeakPolarHBondContact CB-O 3.27Å; N195-R252 PolarHBondContact ND2-O 3.47Å; N195-R252 PolarHBondContact OD1-O 3.2Å; E248-R252 WeakPolarHBondContact O-CB 3.34Å; E248-R252 WeakPolarHBondContact O-CG 3.41Å; E248-R252 PolarHBondContact O-N 2.79Å; L249-R252 PolarHBondContact O-N 3.32Å; R252-E254 PolarHBondContact O-N 3.44Å |
| 253 | L | 93.3 | Very high | 85.7 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | trans | -78.7 | 105.7 | -175.7 | -169.3 | 68.8 | 0 | 0 | 0 | 110.6 | R211 L215 L249 L268 | R211-L253 HydrophobicContact CG-CD1 4.34Å; R211-L253 HydrophobicContact CG-CD2 4.14Å; L215-L253 HydrophobicContact CD2-CD2 4.14Å; L249-L253 HydrophobicContact CD1-CB 3.93Å; L249-L253 HydrophobicContact CD1-CD1 4.21Å; L249-L253 HydrophobicContact CD1-CD2 4.11Å; L249-L253 HydrophobicContact CD1-CG 4.32Å; L249-L253 HydrophobicContact CD2-CD2 4.31Å; L249-L253 HydrophobicContact CG-CB 4.05Å; L249-L253 HydrophobicContact CG-CD2 4.03Å; L249-L253 WeakPolarHBondContact O-CA 3.48Å; L249-L253 WeakPolarHBondContact O-CB 3.37Å; L249-L253 PolarHBondContact O-N 2.93Å; L253-L268 HydrophobicContact CD2-CD1 4.38Å | ||
| 254 | E | 89.3 | Confident | 85.3 | Confident | 93 Ų | 93 | 60.8 Ų | 60.8 | 44% | 0.435 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 135.8 | -178.5 | -66.2 | 179.5 | 174.7 | 0 | 0 | 111.8 | N195 R252 P262 | N195-E254 PolarHBondContact OD1-N 3.48Å; R252-E254 PolarHBondContact O-N 3.44Å; E254-P262 HydrophobicContact CB-CB 4.13Å; E254-P262 HydrophobicContact CG-CB 4.32Å |
| 255 | L | 84.8 | Confident | 84.8 | Confident | 40 Ų | 40 | 58.9 Ų | 58.9 | 21% | 0.209 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 106.9 | 170.5 | -77.5 | 64.4 | 0 | 0 | 0 | 108.4 | S257 S263 A265 | L255-S257 PolarHBondContact O-N 3.16Å; L255-S257 VanDerWaalsContact O-N 3.14Å; L255-S263 WeakPolarHBondContact CA-O 3.42Å; L255-S263 WeakPolarHBondContact CB-O 3.32Å; L255-S263 PolarHBondContact N-O 3.5Å; L255-S263 PolarHBondContact O-N 2.96Å; L255-S263 PolarHBondContact O-OG 3.31Å; L255-A265 HydrophobicContact CD1-CB 3.73Å; L255-A265 HydrophobicContact CD2-CB 4.48Å |
| 256 | K | 79.7 | Confident | 84.5 | Confident | 151 Ų | 151 | 66.4 Ų | 66.4 | 66% | 0.657 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 116.3 | 166.8 | -72.8 | -177.2 | 175.6 | 172.7 | 0 | 109.5 | H199 | H199-K256 WeakPolarHBondContact CD2-CE 3.45Å |
| 257 | S | 64.1 | Low | 84.2 | Confident | 63 Ų | 63 | 71.1 Ų | 71.1 | 44% | 0.441 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 137.5 | 169.6 | -179.5 | 0 | 0 | 0 | 0 | 108.9 | L255 K259 | L255-S257 PolarHBondContact O-N 3.16Å; L255-S257 VanDerWaalsContact O-N 3.14Å; S257-K259 PolarHBondContact O-N 3.47Å; S257-K259 VanDerWaalsContact O-N 3.09Å |
| 258 | A | 63.7 | Low | 84.1 | Confident | 108 Ų | 108 | 71.4 Ų | 71.4 | 89% | 0.893 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -14.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 259 | K | 58.4 | Low | 84.1 | Confident | 204 Ų | 204 | 70.6 Ų | 70.6 | 89% | 0.887 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144.4 | 23.9 | -172.2 | -63.9 | -170.5 | 178 | -177.8 | 0 | 114.5 | S257 | S257-K259 PolarHBondContact O-N 3.47Å; S257-K259 VanDerWaalsContact O-N 3.09Å |
| 260 | G | 65.8 | Low | 84 | Confident | 38 Ų | 38 | 74.1 Ų | 74.1 | 39% | 0.392 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 174 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 261 | P | 72.8 | Confident | 84 | Confident | 110 Ų | 110 | 74.5 Ų | 74.5 | 71% | 0.714 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 153.3 | 172.8 | 26.6 | -33.9 | 0 | 0 | 0 | 110.3 | S263 | P261-S263 PolarHBondContact O-N 3.33Å |
| 262 | P | 76.9 | Confident | 84.1 | Confident | 78 Ų | 78 | 72.8 Ų | 72.8 | 51% | 0.506 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.1 | 131.7 | 175.2 | 21.6 | -31.2 | 0 | 0 | 0 | 109.9 | E254 | E254-P262 HydrophobicContact CB-CB 4.13Å; E254-P262 HydrophobicContact CG-CB 4.32Å |
| 263 | S | 84.6 | Confident | 84.3 | Confident | 56 Ų | 56 | 70.8 Ų | 70.8 | 39% | 0.392 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 155.3 | -177.9 | 61.3 | 0 | 0 | 0 | 0 | 110.4 | L255 P261 | L255-S263 WeakPolarHBondContact CA-O 3.42Å; L255-S263 WeakPolarHBondContact CB-O 3.32Å; L255-S263 PolarHBondContact N-O 3.5Å; L255-S263 PolarHBondContact O-N 2.96Å; L255-S263 PolarHBondContact O-OG 3.31Å; P261-S263 PolarHBondContact O-N 3.33Å |
| 264 | R | 88.1 | Confident | 84.5 | Confident | 118 Ų | 118 | 73.5 Ų | 73.5 | 45% | 0.445 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 156.1 | 174 | -67.6 | -176.6 | 179.2 | 86.9 | 5.9 | 110.7 | Y250 E266 | Y250-R264 HydrophobicContact CD2-CB 4.32Å; Y250-R264 HydrophobicContact CE2-CB 3.79Å; Y250-R264 HydrophobicContact CE2-CG 4.48Å; Y250-R264 WeakPolarHBondContact O-CD 3.26Å; R264-E266 PolarHBondContact O-N 3.22Å; R264-E266 VanDerWaalsContact O-N 3.08Å |
| 265 | A | 87.6 | Confident | 84.9 | Confident | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.008 | 38% | 0.379 | C | S | . | . | trans | -68.3 | 105.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L255 I267 L268 L269 | L255-A265 HydrophobicContact CD1-CB 3.73Å; L255-A265 HydrophobicContact CD2-CB 4.48Å; A265-I267 HydrophobicContact CB-CG2 4.19Å; A265-I267 PolarHBondContact O-N 2.96Å; A265-I267 VanDerWaalsContact O-N 3.17Å; A265-L268 HydrophobicContact CB-CB 4.15Å; A265-L268 HydrophobicContact CB-CD1 3.86Å; A265-L268 HydrophobicContact CB-CG 3.77Å; A265-L268 WeakPolarHBondContact O-CB 3.44Å; A265-L268 PolarHBondContact O-N 3.43Å; A265-L269 PolarHBondContact O-N 3.15Å | ||
| 266 | E | 89.8 | Confident | 85.5 | Confident | 159 Ų | 159 | 67.2 Ų | 67.2 | 74% | 0.743 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -57.9 | -30.2 | 178 | -66.6 | -175.8 | 175.4 | 0 | 0 | 113.3 | R264 L268 L269 T270 | R264-E266 PolarHBondContact O-N 3.22Å; R264-E266 VanDerWaalsContact O-N 3.08Å; E266-L268 VanDerWaalsContact C-N 3.27Å; E266-L268 PolarHBondContact O-N 3.24Å; E266-L269 WeakPolarHBondContact O-CB 3.14Å; E266-L269 PolarHBondContact O-N 3.25Å; E266-T270 PolarHBondContact O-N 2.88Å; E266-T270 VanDerWaalsContact O-N 3.09Å; E266-T270 PolarHBondContact O-OG1 3.38Å |
| 267 | I | 92.7 | Very high | 86.4 | Confident | 100 Ų | 100 | 61.2 Ų | 61.2 | 51% | 0.513 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.1 | -37 | 174.7 | -168.1 | 165.4 | 0 | 0 | 0 | 111.6 | L215 A265 A271 | L215-I267 HydrophobicContact CD1-CG2 4.41Å; L215-I267 HydrophobicContact CD2-CG2 4.34Å; A265-I267 HydrophobicContact CB-CG2 4.19Å; A265-I267 PolarHBondContact O-N 2.96Å; A265-I267 VanDerWaalsContact O-N 3.17Å; I267-A271 WeakPolarHBondContact O-CB 3.13Å; I267-A271 PolarHBondContact O-N 3.47Å |
| 268 | L | 95.4 | Very high | 88 | Confident | 6 Ų | 6 | 58.8 Ų | 58.8 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -73.2 | -38.7 | 176.9 | -63.3 | -176 | 0 | 0 | 0 | 111.2 | L215 L246 L249 Y250 L253 A265 E266 T270 A271 L272 | L215-L268 HydrophobicContact CD2-CD1 4.15Å; L215-L268 HydrophobicContact CD2-CD2 3.8Å; L215-L268 HydrophobicContact CD2-CG 4Å; L246-L268 HydrophobicContact CD1-CD2 3.83Å; L246-L268 HydrophobicContact CD2-CD2 4.3Å; L246-L268 HydrophobicContact CG-CD2 3.97Å; L249-L268 HydrophobicContact CB-CD1 4.43Å; L249-L268 HydrophobicContact CD2-CD1 4.15Å; L249-L268 HydrophobicContact CG-CD1 4.07Å; Y250-L268 HydrophobicContact CD2-CB 3.89Å; Y250-L268 HydrophobicContact CG-CB 4.48Å; L253-L268 HydrophobicContact CD2-CD1 4.38Å; A265-L268 HydrophobicContact CB-CB 4.15Å; A265-L268 HydrophobicContact CB-CD1 3.86Å; A265-L268 HydrophobicContact CB-CG 3.77Å; A265-L268 WeakPolarHBondContact O-CB 3.44Å; A265-L268 PolarHBondContact O-N 3.43Å; E266-L268 VanDerWaalsContact C-N 3.27Å; E266-L268 PolarHBondContact O-N 3.24Å; L268-T270 VanDerWaalsContact C-N 3.27Å; L268-T270 PolarHBondContact O-N 3.22Å; L268-A271 PolarHBondContact O-N 3.34Å; L268-L272 WeakPolarHBondContact O-CB 3.39Å; L268-L272 VanDerWaalsContact O-CG 3.29Å; L268-L272 WeakPolarHBondContact O-CG 3.45Å; L268-L272 PolarHBondContact O-N 2.76Å |
| 269 | L | 95.4 | Very high | 89.6 | Confident | 12 Ų | 12 | 53.6 Ų | 53.6 | 6% | 0.063 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -54 | -46.9 | 172.7 | 177.8 | 64 | 0 | 0 | 0 | 111.4 | Y250 A265 E266 R273 L302 T305 W306 | Y250-L269 HydrophobicContact CE2-CB 3.94Å; Y250-L269 HydrophobicContact CE2-CD1 4.44Å; A265-L269 PolarHBondContact O-N 3.15Å; E266-L269 WeakPolarHBondContact O-CB 3.14Å; E266-L269 PolarHBondContact O-N 3.25Å; L269-R273 PolarHBondContact O-N 2.87Å; L269-L302 HydrophobicContact CD1-CD2 3.39Å; L269-T305 HydrophobicContact CD1-CG2 4.22Å; L269-T305 HydrophobicContact CD2-CG2 3.59Å; L269-W306 HydrophobicContact CD1-CZ2 4.07Å; L269-W306 VanDerWaalsContact CD1-NE1 3.29Å |
| 270 | T | 95.4 | Very high | 91.4 | Very high | 74 Ų | 74 | 44.2 Ų | 44.2 | 45% | 0.454 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.4 | -44.2 | 178.2 | -53.9 | 0 | 0 | 0 | 0 | 111.1 | E266 L268 L272 R273 E274 | E266-T270 PolarHBondContact O-N 2.88Å; E266-T270 VanDerWaalsContact O-N 3.09Å; E266-T270 PolarHBondContact O-OG1 3.38Å; L268-T270 VanDerWaalsContact C-N 3.27Å; L268-T270 PolarHBondContact O-N 3.22Å; T270-L272 PolarHBondContact O-N 2.89Å; T270-R273 PolarHBondContact O-N 3.48Å; T270-E274 WeakPolarHBondContact O-CG 3.41Å; T270-E274 PolarHBondContact O-N 3.4Å |
| 271 | A | 97.3 | Very high | 92.9 | Very high | 11 Ų | 11 | 44.8 Ų | 44.8 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.1 | -43.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y222 L246 I267 L268 R273 E274 L275 | Y222-A271 HydrophobicContact CD2-CB 4.01Å; Y222-A271 HydrophobicContact CE2-CB 3.92Å; L246-A271 HydrophobicContact CD2-CB 4.09Å; I267-A271 WeakPolarHBondContact O-CB 3.13Å; I267-A271 PolarHBondContact O-N 3.47Å; L268-A271 PolarHBondContact O-N 3.34Å; A271-R273 VanDerWaalsContact C-N 3.35Å; A271-R273 PolarHBondContact O-N 3.43Å; A271-E274 PolarHBondContact O-N 2.95Å; A271-E274 VanDerWaalsContact O-N 3.16Å; A271-L275 WeakPolarHBondContact O-CB 3.47Å; A271-L275 VanDerWaalsContact O-CG 3.25Å; A271-L275 WeakPolarHBondContact O-CG 3.5Å; A271-L275 PolarHBondContact O-N 3.02Å |
| 272 | L | 98 | Very high | 94 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.6 | -41 | 179.7 | -72.2 | 179.9 | 0 | 0 | 0 | 112.3 | L246 Y250 L268 T270 E274 L275 M276 L294 T298 L302 | L246-L272 HydrophobicContact CB-CD2 4.29Å; L246-L272 HydrophobicContact CD2-CD2 4.45Å; Y250-L272 HydrophobicContact CD1-CD1 3.76Å; Y250-L272 HydrophobicContact CD2-CD1 4.46Å; Y250-L272 HydrophobicContact CG-CD1 3.69Å; L268-L272 WeakPolarHBondContact O-CB 3.39Å; L268-L272 VanDerWaalsContact O-CG 3.29Å; L268-L272 WeakPolarHBondContact O-CG 3.45Å; L268-L272 PolarHBondContact O-N 2.76Å; T270-L272 PolarHBondContact O-N 2.89Å; L272-E274 VanDerWaalsContact C-N 3.35Å; L272-E274 PolarHBondContact O-N 3.46Å; L272-L275 PolarHBondContact O-N 3.08Å; L272-M276 WeakPolarHBondContact O-CE 3.28Å; L272-M276 WeakPolarHBondContact O-CG 3.29Å; L272-M276 PolarHBondContact O-N 3.38Å; L272-L294 HydrophobicContact CD2-CD1 4.01Å; L272-L294 HydrophobicContact CD2-CD2 4.24Å; L272-T298 HydrophobicContact CD1-CG2 4.49Å; L272-L302 HydrophobicContact CD1-CD2 4.16Å |
| 273 | R | 97.3 | Very high | 94.9 | Very high | 64 Ų | 64 | 40.5 Ų | 40.5 | 24% | 0.242 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.7 | -49.9 | 172.5 | -175.1 | -171.6 | 173.3 | -148 | 8.1 | 111.4 | L269 T270 A271 M276 N277 W306 D313 | L269-R273 PolarHBondContact O-N 2.87Å; T270-R273 PolarHBondContact O-N 3.48Å; A271-R273 VanDerWaalsContact C-N 3.35Å; A271-R273 PolarHBondContact O-N 3.43Å; R273-M276 PolarHBondContact O-N 3.01Å; R273-N277 PolarHBondContact O-N 2.86Å; R273-N277 PolarHBondContact O-ND2 3.38Å; R273-W306 HydrophobicContact CB-CH2 4.39Å; R273-W306 HydrophobicContact CB-CZ2 3.91Å; R273-W306 HydrophobicContact CG-CZ2 4.33Å; R273-D313 WeakPolarHBondContact CD-OD1 3.38Å; R273-D313 IonicContact CZ-OD1 3.15Å; R273-D313 IonicContact NE-OD1 2.86Å; R273-D313 PolarHBondContact NE-OD1 3.33Å; R273-D313 IonicContact NH1-OD1 2.81Å; R273-D313 IonicContact NH2-OD1 3.83Å; R273-D313 PolarHBondContact NH2-OD1 3.4Å |
| 274 | E | 97.6 | Very high | 95.4 | Very high | 58 Ų | 58 | 40.2 Ų | 40.2 | 27% | 0.271 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -68.1 | -35.4 | -177.4 | -68.8 | -60.5 | 129.9 | 0 | 0 | 112.5 | Y222 T270 A271 L272 N277 A278 | Y222-E274 HydrophobicContact CE2-CB 3.95Å; Y222-E274 WeakPolarHBondContact OH-CB 3.33Å; Y222-E274 WeakPolarHBondContact OH-CG 3.11Å; T270-E274 WeakPolarHBondContact O-CG 3.41Å; T270-E274 PolarHBondContact O-N 3.4Å; A271-E274 PolarHBondContact O-N 2.95Å; A271-E274 VanDerWaalsContact O-N 3.16Å; L272-E274 VanDerWaalsContact C-N 3.35Å; L272-E274 PolarHBondContact O-N 3.46Å; E274-N277 PolarHBondContact O-N 3.1Å; E274-A278 WeakPolarHBondContact O-CB 3.42Å; E274-A278 PolarHBondContact O-N 3.43Å |
| 275 | L | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.6 | -42.5 | 173.9 | -70.7 | 169.3 | 0 | 0 | 0 | 111.6 | Y222 R225 F239 Y242 V243 L246 A271 L272 N277 A278 L279 | Y222-L275 HydrophobicContact CD2-CD1 4.4Å; Y222-L275 HydrophobicContact CD2-CD2 4Å; Y222-L275 HydrophobicContact CD2-CG 4.04Å; Y222-L275 HydrophobicContact CE2-CD2 4.37Å; Y222-L275 HydrophobicContact CE2-CG 4.17Å; R225-L275 HydrophobicContact CB-CD2 3.87Å; F239-L275 HydrophobicContact CE2-CD2 3.76Å; F239-L275 HydrophobicContact CZ-CD2 3.7Å; Y242-L275 HydrophobicContact CE1-CD1 4.12Å; Y242-L275 HydrophobicContact CE1-CD2 4.15Å; V243-L275 HydrophobicContact CG2-CB 4.38Å; V243-L275 HydrophobicContact CG2-CD1 4.29Å; V243-L275 HydrophobicContact CG2-CD2 4.17Å; L246-L275 HydrophobicContact CD2-CD1 3.49Å; L246-L275 VanDerWaalsContact CD2-CD1 3.49Å; A271-L275 WeakPolarHBondContact O-CB 3.47Å; A271-L275 VanDerWaalsContact O-CG 3.25Å; A271-L275 WeakPolarHBondContact O-CG 3.5Å; A271-L275 PolarHBondContact O-N 3.02Å; L272-L275 PolarHBondContact O-N 3.08Å; L275-N277 VanDerWaalsContact C-N 3.35Å; L275-N277 PolarHBondContact O-N 3.04Å; L275-A278 WeakPolarHBondContact O-CB 3.21Å; L275-A278 PolarHBondContact O-N 3.38Å; L275-L279 WeakPolarHBondContact O-CG 3.29Å; L275-L279 PolarHBondContact O-N 3.14Å |
| 276 | M | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.2 | -45.9 | 172.2 | -74.2 | -174.2 | -76.1 | 0 | 0 | 111.5 | L272 R273 A278 L279 F280 L294 L295 L302 W306 I317 | L272-M276 WeakPolarHBondContact O-CE 3.28Å; L272-M276 WeakPolarHBondContact O-CG 3.29Å; L272-M276 PolarHBondContact O-N 3.38Å; R273-M276 PolarHBondContact O-N 3.01Å; M276-A278 VanDerWaalsContact C-N 3.28Å; M276-A278 PolarHBondContact O-N 2.99Å; M276-L279 PolarHBondContact O-N 2.91Å; M276-F280 HydrophobicContact CB-CD2 4.38Å; M276-F280 HydrophobicContact CB-CE2 4.03Å; M276-F280 WeakPolarHBondContact O-CB 3.2Å; M276-F280 WeakPolarHBondContact O-CD2 3.46Å; M276-F280 WeakPolarHBondContact O-CG 3.42Å; M276-F280 PolarHBondContact O-N 3.19Å; M276-L294 HydrophobicContact CG-CD2 3.57Å; M276-L294 HydrophobicContact SD-CD2 4.21Å; M276-L295 HydrophobicContact CE-CD2 4.37Å; M276-L295 HydrophobicContact SD-CD1 4.16Å; M276-L295 HydrophobicContact SD-CD2 3.41Å; M276-L295 WeakPolarHBondContact SD-CD2 3.49Å; M276-L295 HydrophobicContact SD-CG 3.62Å; M276-L302 HydrophobicContact CE-CD1 3.87Å; M276-W306 HydrophobicContact CE-CH2 3.72Å; M276-I317 HydrophobicContact CB-CD1 3.84Å; M276-I317 HydrophobicContact CE-CD1 4.44Å; M276-I317 HydrophobicContact SD-CD1 4.48Å; M276-I317 HydrophobicContact SD-CG2 4.5Å |
| 277 | N | 97.2 | Very high | 96.7 | Very high | 26 Ų | 26 | 30.8 Ų | 30.8 | 14% | 0.139 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.8 | -38.4 | 175.3 | -79.4 | -33.2 | 0 | 0 | 0 | 112.6 | R273 E274 L275 S281 R320 | R273-N277 PolarHBondContact O-N 2.86Å; R273-N277 PolarHBondContact O-ND2 3.38Å; E274-N277 PolarHBondContact O-N 3.1Å; L275-N277 VanDerWaalsContact C-N 3.35Å; L275-N277 PolarHBondContact O-N 3.04Å; N277-S281 WeakPolarHBondContact O-CB 3.4Å; N277-S281 PolarHBondContact O-N 2.9Å; N277-R320 PolarHBondContact O-NH2 3.31Å; N277-R320 PolarHBondContact OD1-NH1 3.39Å |
| 278 | A | 97.8 | Very high | 96.9 | Very high | 11 Ų | 11 | 26 Ų | 26 | 9% | 0.091 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64 | -49.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | R225 V229 E274 L275 M276 F280 S281 | R225-A278 HydrophobicContact CG-CB 4.36Å; V229-A278 WeakPolarHBondContact CG2-O 3.37Å; E274-A278 WeakPolarHBondContact O-CB 3.42Å; E274-A278 PolarHBondContact O-N 3.43Å; L275-A278 WeakPolarHBondContact O-CB 3.21Å; L275-A278 PolarHBondContact O-N 3.38Å; M276-A278 VanDerWaalsContact C-N 3.28Å; M276-A278 PolarHBondContact O-N 2.99Å; A278-F280 VanDerWaalsContact C-N 3.34Å; A278-F280 PolarHBondContact O-N 3.03Å; A278-S281 WeakPolarHBondContact O-CB 3.39Å; A278-S281 PolarHBondContact O-N 3.31Å; A278-S281 PolarHBondContact O-OG 3Å |
| 279 | L | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.2 | -46.8 | 176.7 | -69.6 | 168.1 | 0 | 0 | 0 | 111.6 | V229 F239 V243 L275 M276 S281 H282 N287 C290 A291 | V229-L279 HydrophobicContact CG2-CD2 4.21Å; F239-L279 HydrophobicContact CD1-CD2 4.22Å; F239-L279 HydrophobicContact CE1-CD2 3.73Å; F239-L279 HydrophobicContact CE1-CG 4.27Å; V243-L279 HydrophobicContact CG1-CD1 4.18Å; L275-L279 WeakPolarHBondContact O-CG 3.29Å; L275-L279 PolarHBondContact O-N 3.14Å; M276-L279 PolarHBondContact O-N 2.91Å; L279-S281 VanDerWaalsContact C-N 3.27Å; L279-S281 PolarHBondContact O-N 3.44Å; L279-H282 CarbonylContact O-C 3.44Å; L279-H282 PolarHBondContact O-N 2.88Å; L279-N287 HydrophobicContact CB-CB 4.44Å; L279-N287 HydrophobicContact CD2-CB 3.85Å; L279-C290 HydrophobicContact CD1-CB 4.36Å; L279-C290 HydrophobicContact CD2-CB 4.31Å; L279-A291 HydrophobicContact CB-CB 4.23Å; L279-A291 HydrophobicContact CD1-CB 3.99Å |
| 280 | F | 96.8 | Very high | 97.2 | Very high | 6 Ų | 6 | 28 Ų | 28 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.5 | -21.6 | 177.8 | -66.9 | -40.8 | 0 | 0 | 0 | 114 | M276 A278 H282 L288 A291 L295 I317 R320 I321 I324 | M276-F280 HydrophobicContact CB-CD2 4.38Å; M276-F280 HydrophobicContact CB-CE2 4.03Å; M276-F280 WeakPolarHBondContact O-CB 3.2Å; M276-F280 WeakPolarHBondContact O-CD2 3.46Å; M276-F280 WeakPolarHBondContact O-CG 3.42Å; M276-F280 PolarHBondContact O-N 3.19Å; A278-F280 VanDerWaalsContact C-N 3.34Å; A278-F280 PolarHBondContact O-N 3.03Å; F280-H282 PolarHBondContact O-N 3.34Å; F280-L288 HydrophobicContact CD1-CD2 4.02Å; F280-L288 HydrophobicContact CE1-CD2 4.38Å; F280-A291 HydrophobicContact CD1-CB 4.33Å; F280-A291 HydrophobicContact CE1-CB 3.57Å; F280-A291 HydrophobicContact CZ-CB 3.74Å; F280-L295 HydrophobicContact CZ-CD1 4.19Å; F280-I317 HydrophobicContact CD2-CD1 4.35Å; F280-I317 HydrophobicContact CE2-CD1 4.08Å; F280-I317 HydrophobicContact CE2-CG2 3.95Å; F280-R320 HydrophobicContact CB-CG 4.09Å; F280-R320 HydrophobicContact CD2-CG 4.43Å; F280-R320 HydrophobicContact CG-CG 4.4Å; F280-I321 HydrophobicContact CE1-CD1 4.48Å; F280-I321 HydrophobicContact CE1-CG1 3.8Å; F280-I321 HydrophobicContact CE2-CG1 4.23Å; F280-I321 HydrophobicContact CZ-CD1 3.84Å; F280-I321 HydrophobicContact CZ-CG1 3.55Å; F280-I324 HydrophobicContact CB-CD1 3.67Å; F280-I324 HydrophobicContact CD1-CD1 3.51Å; F280-I324 HydrophobicContact CE1-CD1 4.46Å; F280-I324 HydrophobicContact CG-CD1 3.85Å |
| 281 | S | 95.9 | Very high | 97.4 | Very high | 50 Ų | 50 | 24.5 Ų | 24.5 | 35% | 0.35 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -72.1 | -19 | 176.6 | 79.7 | 0 | 0 | 0 | 0 | 113.5 | N277 A278 L279 | N277-S281 WeakPolarHBondContact O-CB 3.4Å; N277-S281 PolarHBondContact O-N 2.9Å; A278-S281 WeakPolarHBondContact O-CB 3.39Å; A278-S281 PolarHBondContact O-N 3.31Å; A278-S281 PolarHBondContact O-OG 3Å; L279-S281 VanDerWaalsContact C-N 3.27Å; L279-S281 PolarHBondContact O-N 3.44Å |
| 282 | H | 95.6 | Very high | 97.4 | Very high | 54 Ų | 54 | 24.2 Ų | 24.2 | 25% | 0.25 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -132.1 | 79.7 | 176 | -165.8 | 64.2 | 0 | 0 | 0 | 109.8 | V229 R230 L279 F280 V284 N287 | V229-H282 HydrophobicContact CG1-CB 4.35Å; V229-H282 HydrophobicContact CG2-CB 4.28Å; V229-H282 PolarHBondContact O-CD2 3.46Å; R230-H282 HydrophobicContact CG-CB 4.48Å; L279-H282 CarbonylContact O-C 3.44Å; L279-H282 PolarHBondContact O-N 2.88Å; F280-H282 PolarHBondContact O-N 3.34Å; H282-V284 PolarHBondContact O-N 3.4Å; H282-N287 PolarHBondContact O-ND2 2.87Å |
| 283 | P | 95.7 | Very high | 97.4 | Very high | 44 Ų | 44 | 29.8 Ų | 29.8 | 29% | 0.286 | 16% | 0.161 | S | C | . | . | trans | -79.4 | 57.9 | -165.2 | 34.5 | -38.5 | 0 | 0 | 0 | 113.2 | L288 I324 A328 | P283-L288 HydrophobicContact CB-CD1 4.09Å; P283-L288 HydrophobicContact CB-CD2 3.94Å; P283-L288 HydrophobicContact CB-CG 4.24Å; P283-I324 HydrophobicContact CB-CD1 4.43Å; P283-I324 HydrophobicContact CB-CG1 4.48Å; P283-I324 HydrophobicContact CB-CG2 4.15Å; P283-A328 HydrophobicContact CB-CB 4.11Å; P283-A328 HydrophobicContact CG-CB 4.01Å | ||
| 284 | V | 96.1 | Very high | 97.4 | Very high | 50 Ų | 50 | 26.8 Ų | 26.8 | 30% | 0.303 | 15% | 0.15 | S | C | . | . | trans | -81.4 | 152.4 | 165.9 | -61.9 | 0 | 0 | 0 | 0 | 109.9 | H282 G286 N287 L288 | H282-V284 PolarHBondContact O-N 3.4Å; V284-G286 VanDerWaalsContact C-N 3.27Å; V284-G286 PolarHBondContact O-N 3.33Å; V284-G286 VanDerWaalsContact O-N 3.14Å; V284-N287 HydrophobicContact CG2-CB 3.94Å; V284-N287 WeakPolarHBondContact CG2-ND2 3.31Å; V284-N287 PolarHBondContact O-N 3.23Å; V284-L288 WeakPolarHBondContact O-CG 3.49Å; V284-L288 PolarHBondContact O-N 2.86Å | ||
| 285 | D | 97.3 | Very high | 97.5 | Very high | 51 Ų | 51 | 24 Ų | 24 | 27% | 0.273 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -50.7 | -44.2 | -173.8 | -73 | -3.2 | 0 | 0 | 0 | 113.1 | N287 L288 I289 C330 S331 V334 | D285-N287 PolarHBondContact O-N 3.26Å; D285-L288 PolarHBondContact O-N 3.43Å; D285-I289 WeakPolarHBondContact O-CB 3.5Å; D285-I289 WeakPolarHBondContact O-CD1 3.23Å; D285-I289 WeakPolarHBondContact O-CG1 3.28Å; D285-I289 PolarHBondContact O-N 3.22Å; D285-C330 WeakPolarHBondContact OD1-CA 3.4Å; D285-C330 VanDerWaalsContact OD1-CB 3.27Å; D285-C330 WeakPolarHBondContact OD1-CB 3.47Å; D285-S331 PolarHBondContact OD1-N 3.17Å; D285-S331 WeakPolarHBondContact OD2-CB 3.46Å; D285-S331 PolarHBondContact OD2-OG 3.31Å; D285-V334 HydrophobicContact CB-CG2 3.94Å |
| 286 | G | 97.3 | Very high | 97.4 | Very high | 29 Ų | 29 | 30.6 Ų | 30.6 | 30% | 0.299 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -59.4 | -47 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | H240 V284 L288 I289 C290 | H240-G286 PolarHBondContact CE1-O 3.33Å; H240-G286 VanDerWaalsContact CE1-O 3.31Å; V284-G286 VanDerWaalsContact C-N 3.27Å; V284-G286 PolarHBondContact O-N 3.33Å; V284-G286 VanDerWaalsContact O-N 3.14Å; G286-L288 PolarHBondContact O-N 3.4Å; G286-I289 PolarHBondContact O-N 2.98Å; G286-C290 WeakPolarHBondContact O-CB 3.43Å; G286-C290 PolarHBondContact O-N 2.63Å |
| 287 | N | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.5 | -40.9 | 178.5 | -72.7 | -16.8 | 0 | 0 | 0 | 111.6 | V229 H240 L279 H282 V284 D285 C290 A291 | V229-N287 WeakPolarHBondContact CG2-ND2 3.45Å; V229-N287 PolarHBondContact O-ND2 3.39Å; H240-N287 PolarHBondContact NE2-OD1 2.74Å; L279-N287 HydrophobicContact CB-CB 4.44Å; L279-N287 HydrophobicContact CD2-CB 3.85Å; H282-N287 PolarHBondContact O-ND2 2.87Å; V284-N287 HydrophobicContact CG2-CB 3.94Å; V284-N287 WeakPolarHBondContact CG2-ND2 3.31Å; V284-N287 PolarHBondContact O-N 3.23Å; D285-N287 PolarHBondContact O-N 3.26Å; N287-C290 WeakPolarHBondContact O-CB 3.41Å; N287-C290 PolarHBondContact O-N 3.01Å; N287-A291 PolarHBondContact O-N 2.94Å |
| 288 | L | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.2 | -41.2 | 178.8 | -64.1 | 177.2 | 0 | 0 | 0 | 111.8 | F280 P283 V284 D285 G286 C290 A291 V292 I324 C330 V334 L338 | F280-L288 HydrophobicContact CD1-CD2 4.02Å; F280-L288 HydrophobicContact CE1-CD2 4.38Å; P283-L288 HydrophobicContact CB-CD1 4.09Å; P283-L288 HydrophobicContact CB-CD2 3.94Å; P283-L288 HydrophobicContact CB-CG 4.24Å; V284-L288 WeakPolarHBondContact O-CG 3.49Å; V284-L288 PolarHBondContact O-N 2.86Å; D285-L288 PolarHBondContact O-N 3.43Å; G286-L288 PolarHBondContact O-N 3.4Å; L288-C290 VanDerWaalsContact C-N 3.32Å; L288-C290 PolarHBondContact O-N 2.82Å; L288-A291 PolarHBondContact O-N 3.27Å; L288-V292 WeakPolarHBondContact O-CG2 3.24Å; L288-V292 PolarHBondContact O-N 3.07Å; L288-I324 HydrophobicContact CD1-CG2 4.14Å; L288-I324 HydrophobicContact CD2-CD1 4.23Å; L288-I324 HydrophobicContact CD2-CG2 4Å; L288-C330 HydrophobicContact CD1-CB 3.54Å; L288-V334 HydrophobicContact CB-CG1 3.54Å; L288-V334 HydrophobicContact CD1-CG1 3.7Å; L288-V334 HydrophobicContact CG-CG1 4.29Å; L288-L338 HydrophobicContact CD1-CD1 4.24Å; L288-L338 HydrophobicContact CD2-CD1 4.43Å |
| 289 | I | 98.1 | Very high | 97.3 | Very high | 56 Ų | 56 | 31.3 Ų | 31.3 | 29% | 0.287 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -61.6 | -42.6 | 174 | -69.8 | 164.3 | 0 | 0 | 0 | 110.3 | D285 G286 V292 K293 V334 M337 | D285-I289 WeakPolarHBondContact O-CB 3.5Å; D285-I289 WeakPolarHBondContact O-CD1 3.23Å; D285-I289 WeakPolarHBondContact O-CG1 3.28Å; D285-I289 PolarHBondContact O-N 3.22Å; G286-I289 PolarHBondContact O-N 2.98Å; I289-V292 PolarHBondContact O-N 3.02Å; I289-K293 HydrophobicContact CG2-CD 4.32Å; I289-K293 WeakPolarHBondContact O-CG 3.43Å; I289-K293 PolarHBondContact O-N 3.24Å; I289-V334 HydrophobicContact CD1-CG2 4.13Å; I289-V334 HydrophobicContact CG1-CG2 4.09Å; I289-M337 HydrophobicContact CG1-SD 4.32Å |
| 290 | C | 98.3 | Very high | 97.3 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 3% | 0.027 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60 | -47.2 | 174.7 | -179.1 | 0 | 0 | 0 | 0 | 111.5 | H240 L279 G286 N287 L288 V292 K293 L294 | H240-C290 HydrophobicContact CB-CB 4.02Å; L279-C290 HydrophobicContact CD1-CB 4.36Å; L279-C290 HydrophobicContact CD2-CB 4.31Å; G286-C290 WeakPolarHBondContact O-CB 3.43Å; G286-C290 PolarHBondContact O-N 2.63Å; N287-C290 WeakPolarHBondContact O-CB 3.41Å; N287-C290 PolarHBondContact O-N 3.01Å; L288-C290 VanDerWaalsContact C-N 3.32Å; L288-C290 PolarHBondContact O-N 2.82Å; C290-V292 VanDerWaalsContact C-N 3.35Å; C290-V292 PolarHBondContact O-N 3.41Å; C290-K293 PolarHBondContact O-N 2.88Å; C290-L294 PolarHBondContact O-N 3.32Å |
| 291 | A | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.9 | -41.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L279 F280 N287 L288 L294 L295 | L279-A291 HydrophobicContact CB-CB 4.23Å; L279-A291 HydrophobicContact CD1-CB 3.99Å; F280-A291 HydrophobicContact CD1-CB 4.33Å; F280-A291 HydrophobicContact CE1-CB 3.57Å; F280-A291 HydrophobicContact CZ-CB 3.74Å; N287-A291 PolarHBondContact O-N 2.94Å; L288-A291 PolarHBondContact O-N 3.27Å; A291-L294 PolarHBondContact O-N 3.19Å; A291-L295 WeakPolarHBondContact O-CB 3.45Å; A291-L295 PolarHBondContact O-N 3.37Å |
| 292 | V | 98.4 | Very high | 97.3 | Very high | 6 Ų | 6 | 31.5 Ų | 31.5 | 4% | 0.036 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.1 | -46.1 | 174.4 | 169.8 | 0 | 0 | 0 | 0 | 111 | L288 I289 C290 L295 K296 M337 L338 L341 | L288-V292 WeakPolarHBondContact O-CG2 3.24Å; L288-V292 PolarHBondContact O-N 3.07Å; I289-V292 PolarHBondContact O-N 3.02Å; C290-V292 VanDerWaalsContact C-N 3.35Å; C290-V292 PolarHBondContact O-N 3.41Å; V292-L295 PolarHBondContact O-N 3.2Å; V292-K296 HydrophobicContact CG1-CD 4.3Å; V292-K296 WeakPolarHBondContact O-CB 3.47Å; V292-K296 WeakPolarHBondContact O-CG 3.44Å; V292-K296 PolarHBondContact O-N 2.75Å; V292-M337 HydrophobicContact CG1-CB 4.49Å; V292-M337 HydrophobicContact CG2-CB 4.39Å; V292-L338 HydrophobicContact CG2-CD2 3.62Å; V292-L338 HydrophobicContact CG2-CG 4.3Å; V292-L341 HydrophobicContact CG2-CD2 4.26Å |
| 293 | K | 97.9 | Very high | 97.3 | Very high | 117 Ų | 117 | 29.5 Ų | 29.5 | 51% | 0.509 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61.3 | -45.5 | 177.4 | -74.8 | 178.9 | 177.3 | -173.8 | 0 | 111.5 | L244 I289 C290 L295 K296 L297 | L244-K293 HydrophobicContact CD1-CB 4.5Å; L244-K293 HydrophobicContact CD1-CD 4.19Å; L244-K293 HydrophobicContact CD2-CB 3.76Å; I289-K293 HydrophobicContact CG2-CD 4.32Å; I289-K293 WeakPolarHBondContact O-CG 3.43Å; I289-K293 PolarHBondContact O-N 3.24Å; C290-K293 PolarHBondContact O-N 2.88Å; K293-L295 PolarHBondContact O-N 3.35Å; K293-K296 PolarHBondContact O-N 3.47Å; K293-L297 WeakPolarHBondContact O-CB 3.3Å; K293-L297 PolarHBondContact O-N 3.01Å |
| 294 | L | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.3 | -45.8 | 178.4 | 177.8 | 64.8 | 0 | 0 | 0 | 111.8 | V243 L244 L272 M276 C290 A291 L297 T298 | V243-L294 HydrophobicContact CG1-CB 4.46Å; V243-L294 HydrophobicContact CG1-CD1 4.43Å; V243-L294 HydrophobicContact CG1-CD2 3.68Å; V243-L294 HydrophobicContact CG1-CG 4.4Å; L244-L294 HydrophobicContact CD2-CB 4.22Å; L272-L294 HydrophobicContact CD2-CD1 4.01Å; L272-L294 HydrophobicContact CD2-CD2 4.24Å; M276-L294 HydrophobicContact CG-CD2 3.57Å; M276-L294 HydrophobicContact SD-CD2 4.21Å; C290-L294 PolarHBondContact O-N 3.32Å; A291-L294 PolarHBondContact O-N 3.19Å; L294-L297 PolarHBondContact O-N 3.01Å; L294-T298 HydrophobicContact CD1-CG2 4.04Å; L294-T298 PolarHBondContact O-N 3.03Å; L294-T298 PolarHBondContact O-OG1 3.31Å |
| 295 | L | 98.2 | Very high | 97.2 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.5 | -33.1 | 178.5 | -79.4 | 168.9 | 0 | 0 | 0 | 112.4 | M276 F280 A291 V292 K293 L297 G299 M314 I317 I321 L341 W349 | M276-L295 HydrophobicContact CE-CD2 4.37Å; M276-L295 HydrophobicContact SD-CD1 4.16Å; M276-L295 HydrophobicContact SD-CD2 3.41Å; M276-L295 WeakPolarHBondContact SD-CD2 3.49Å; M276-L295 HydrophobicContact SD-CG 3.62Å; F280-L295 HydrophobicContact CZ-CD1 4.19Å; A291-L295 WeakPolarHBondContact O-CB 3.45Å; A291-L295 PolarHBondContact O-N 3.37Å; V292-L295 PolarHBondContact O-N 3.2Å; K293-L295 PolarHBondContact O-N 3.35Å; L295-L297 VanDerWaalsContact C-N 3.32Å; L295-G299 WeakPolarHBondContact O-CA 3.44Å; L295-G299 PolarHBondContact O-N 3.05Å; L295-M314 HydrophobicContact CD2-CE 4.34Å; L295-M314 HydrophobicContact CD2-SD 4.2Å; L295-I317 HydrophobicContact CD1-CG2 3.96Å; L295-I317 HydrophobicContact CD2-CG2 4.3Å; L295-I321 HydrophobicContact CD1-CD1 3.79Å; L295-L341 HydrophobicContact CB-CD1 3.94Å; L295-L341 HydrophobicContact CB-CD2 3.87Å; L295-L341 HydrophobicContact CB-CG 4.39Å; L295-L341 HydrophobicContact CD1-CD2 3.4Å; L295-L341 HydrophobicContact CD1-CG 4.48Å; L295-L341 HydrophobicContact CG-CD2 4.27Å; L295-W349 HydrophobicContact CB-CH2 4.41Å; L295-W349 HydrophobicContact CB-CZ3 4.5Å; L295-W349 HydrophobicContact CD2-CH2 4.31Å; L295-W349 WeakPolarHBondContact O-CZ3 3.07Å |
| 296 | K | 97.2 | Very high | 97.2 | Very high | 137 Ų | 137 | 26.7 Ų | 26.7 | 60% | 0.596 | 14% | 0.141 | S | C | * | . | H | α-helix | trans | -64.1 | -39.1 | 170.6 | -78.9 | -176.9 | 168.2 | -169.5 | 0 | 112.4 | V292 K293 L341 L344 | V292-K296 HydrophobicContact CG1-CD 4.3Å; V292-K296 WeakPolarHBondContact O-CB 3.47Å; V292-K296 WeakPolarHBondContact O-CG 3.44Å; V292-K296 PolarHBondContact O-N 2.75Å; K293-K296 PolarHBondContact O-N 3.47Å; K296-L341 HydrophobicContact CG-CD1 4.08Å; K296-L344 HydrophobicContact CG-CD2 4.27Å |
| 297 | L | 96.7 | Very high | 97 | Very high | 52 Ų | 52 | 31.3 Ų | 31.3 | 27% | 0.272 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -71.1 | -46.1 | 179.5 | 176.7 | 62.7 | 0 | 0 | 0 | 111.9 | E248 L251 K293 L294 L295 | E248-L297 HydrophobicContact CG-CD2 3.88Å; E248-L297 WeakPolarHBondContact OE1-CD1 3.36Å; L251-L297 HydrophobicContact CD1-CD1 3.7Å; L251-L297 HydrophobicContact CD1-CG 3.81Å; K293-L297 WeakPolarHBondContact O-CB 3.3Å; K293-L297 PolarHBondContact O-N 3.01Å; L294-L297 PolarHBondContact O-N 3.01Å; L295-L297 VanDerWaalsContact C-N 3.32Å |
| 298 | T | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -115.1 | -11.6 | -165.8 | 61 | 0 | 0 | 0 | 0 | 114.5 | L251 L272 L294 S300 V301 L302 | L251-T298 HydrophobicContact CD1-CG2 4.16Å; L251-T298 HydrophobicContact CD2-CG2 4.39Å; L251-T298 HydrophobicContact CG-CG2 4.13Å; L272-T298 HydrophobicContact CD1-CG2 4.49Å; L294-T298 HydrophobicContact CD1-CG2 4.04Å; L294-T298 PolarHBondContact O-N 3.03Å; L294-T298 PolarHBondContact O-OG1 3.31Å; T298-S300 PolarHBondContact O-N 3.09Å; T298-V301 PolarHBondContact O-N 3.41Å; T298-L302 WeakPolarHBondContact O-CB 3.48Å; T298-L302 VanDerWaalsContact O-CG 3.3Å; T298-L302 WeakPolarHBondContact O-CG 3.38Å; T298-L302 PolarHBondContact O-N 2.6Å; T298-L302 VanDerWaalsContact OG1-CD1 3.24Å; T298-L302 WeakPolarHBondContact OG1-CD1 3.48Å |
| 299 | G | 97 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.5 | -43.7 | -164.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L295 L302 E303 M314 | L295-G299 WeakPolarHBondContact O-CA 3.44Å; L295-G299 PolarHBondContact O-N 3.05Å; G299-L302 PolarHBondContact O-N 2.71Å; G299-E303 VanDerWaalsContact O-CB 3.31Å; G299-E303 WeakPolarHBondContact O-CB 3.4Å; G299-E303 PolarHBondContact O-N 3.43Å; G299-M314 VanDerWaalsContact O-CE 3.23Å; G299-M314 WeakPolarHBondContact O-CE 3.44Å |
| 300 | S | 96.3 | Very high | 96.2 | Very high | 32 Ų | 32 | 42.8 Ų | 42.8 | 22% | 0.224 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.2 | -46.2 | 177.4 | 56.1 | 0 | 0 | 0 | 0 | 112.2 | T298 E303 D304 | T298-S300 PolarHBondContact O-N 3.09Å; S300-E303 PolarHBondContact O-N 3.01Å; S300-D304 VanDerWaalsContact O-CG 3.28Å; S300-D304 PolarHBondContact O-N 2.95Å; S300-D304 VanDerWaalsContact O-N 3.1Å |
| 301 | V | 96 | Very high | 96 | Very high | 29 Ų | 29 | 47.3 Ų | 47.3 | 18% | 0.176 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.6 | -41.7 | 179.8 | -178.9 | 0 | 0 | 0 | 0 | 111.1 | Y250 L251 T298 T305 | Y250-V301 HydrophobicContact CE1-CG1 3.93Å; L251-V301 HydrophobicContact CD2-CB 3.97Å; L251-V301 HydrophobicContact CD2-CG1 4.09Å; L251-V301 HydrophobicContact CD2-CG2 3.78Å; T298-V301 PolarHBondContact O-N 3.41Å; V301-T305 WeakPolarHBondContact O-CB 3.44Å; V301-T305 PolarHBondContact O-N 3.26Å; V301-T305 PolarHBondContact O-OG1 2.97Å |
| 302 | L | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 175.8 | -68.9 | 176.8 | 0 | 0 | 0 | 111.4 | Y250 L269 L272 M276 T298 G299 T305 W306 M314 | Y250-L302 HydrophobicContact CD1-CD2 4.17Å; Y250-L302 HydrophobicContact CE1-CD2 3.6Å; Y250-L302 HydrophobicContact CE1-CG 4.33Å; L269-L302 HydrophobicContact CD1-CD2 3.39Å; L272-L302 HydrophobicContact CD1-CD2 4.16Å; M276-L302 HydrophobicContact CE-CD1 3.87Å; T298-L302 WeakPolarHBondContact O-CB 3.48Å; T298-L302 VanDerWaalsContact O-CG 3.3Å; T298-L302 WeakPolarHBondContact O-CG 3.38Å; T298-L302 PolarHBondContact O-N 2.6Å; T298-L302 VanDerWaalsContact OG1-CD1 3.24Å; T298-L302 WeakPolarHBondContact OG1-CD1 3.48Å; G299-L302 PolarHBondContact O-N 2.71Å; L302-T305 PolarHBondContact O-N 3.33Å; L302-W306 HydrophobicContact CB-CD2 4.49Å; L302-W306 HydrophobicContact CB-CE3 4.06Å; L302-W306 HydrophobicContact CB-CH2 4.12Å; L302-W306 HydrophobicContact CB-CZ2 4.47Å; L302-W306 HydrophobicContact CB-CZ3 3.9Å; L302-W306 HydrophobicContact CD1-CH2 4.11Å; L302-W306 HydrophobicContact CD2-CH2 4.49Å; L302-W306 HydrophobicContact CD2-CZ2 4.26Å; L302-W306 HydrophobicContact CG-CH2 4.49Å; L302-W306 WeakPolarHBondContact O-CB 3.09Å; L302-W306 PolarHBondContact O-N 2.84Å; L302-M314 HydrophobicContact CB-CE 3.87Å |
| 303 | E | 96.4 | Very high | 95.8 | Very high | 11 Ų | 11 | 50.2 Ų | 50.2 | 5% | 0.051 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 178.7 | -177.8 | 159 | 164.6 | 0 | 0 | 111.9 | G299 S300 W306 K307 M314 R345 W349 | G299-E303 VanDerWaalsContact O-CB 3.31Å; G299-E303 WeakPolarHBondContact O-CB 3.4Å; G299-E303 PolarHBondContact O-N 3.43Å; S300-E303 PolarHBondContact O-N 3.01Å; E303-W306 PolarHBondContact O-N 2.92Å; E303-K307 HydrophobicContact CG-CD 4.03Å; E303-K307 HydrophobicContact CG-CG 4.45Å; E303-K307 WeakPolarHBondContact O-CB 3.31Å; E303-K307 VanDerWaalsContact O-CG 3.28Å; E303-K307 WeakPolarHBondContact O-CG 3.44Å; E303-K307 PolarHBondContact O-N 3.47Å; E303-K307 WeakPolarHBondContact OE1-CE 3.44Å; E303-K307 IonicContact OE1-NZ 2.63Å; E303-K307 PolarHBondContact OE1-NZ 2.64Å; E303-M314 HydrophobicContact CB-CE 3.87Å; E303-M314 HydrophobicContact CB-CG 4.27Å; E303-M314 HydrophobicContact CG-CB 4.46Å; E303-M314 HydrophobicContact CG-CG 4.32Å; E303-R345 WeakPolarHBondContact OE2-CG 3.34Å; E303-R345 IonicContact OE2-NE 3.43Å; E303-R345 PolarHBondContact OE2-NE 2.96Å; E303-W349 PolarHBondContact OE2-NE1 3.44Å |
| 304 | D | 95.3 | Very high | 95.7 | Very high | 52 Ų | 52 | 44.9 Ų | 44.9 | 28% | 0.278 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.9 | -47.7 | 177.4 | -63.1 | -14.1 | 0 | 0 | 0 | 110.7 | S300 W306 K307 E308 R351 | S300-D304 VanDerWaalsContact O-CG 3.28Å; S300-D304 PolarHBondContact O-N 2.95Å; S300-D304 VanDerWaalsContact O-N 3.1Å; D304-W306 VanDerWaalsContact C-N 3.31Å; D304-W306 PolarHBondContact O-N 2.91Å; D304-K307 PolarHBondContact O-N 2.67Å; D304-E308 WeakPolarHBondContact O-CB 3.23Å; D304-E308 VanDerWaalsContact O-CG 3.31Å; D304-E308 WeakPolarHBondContact O-CG 3.4Å; D304-E308 PolarHBondContact O-N 2.81Å; D304-R351 IonicContact OD1-CZ 3.01Å; D304-R351 IonicContact OD1-NH1 3.81Å; D304-R351 PolarHBondContact OD1-NH1 2.92Å; D304-R351 IonicContact OD1-NH2 3.83Å; D304-R351 PolarHBondContact OD1-NH2 3.39Å; D304-R351 IonicContact OD2-CZ 3.27Å; D304-R351 IonicContact OD2-NH1 3.31Å; D304-R351 PolarHBondContact OD2-NH1 2.92Å; D304-R351 IonicContact OD2-NH2 2.71Å |
| 305 | T | 95.1 | Very high | 95.7 | Very high | 31 Ų | 31 | 49.1 Ų | 49.1 | 19% | 0.19 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.4 | -39.3 | -179 | -50.2 | 0 | 0 | 0 | 0 | 111.7 | Y250 L269 V301 L302 S309 | Y250-T305 PolarHBondContact OH-OG1 3.13Å; L269-T305 HydrophobicContact CD1-CG2 4.22Å; L269-T305 HydrophobicContact CD2-CG2 3.59Å; V301-T305 WeakPolarHBondContact O-CB 3.44Å; V301-T305 PolarHBondContact O-N 3.26Å; V301-T305 PolarHBondContact O-OG1 2.97Å; L302-T305 PolarHBondContact O-N 3.33Å; T305-S309 WeakPolarHBondContact O-CB 3.46Å; T305-S309 PolarHBondContact O-N 3.13Å; T305-S309 VanDerWaalsContact O-N 3.16Å; T305-S309 PolarHBondContact O-OG 2.71Å |
| 306 | W | 95.7 | Very high | 95.6 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -73.5 | -37.7 | 176.6 | -69.9 | -34.1 | 0 | 0 | 0 | 112.9 | L269 R273 M276 L302 E303 D304 S309 G310 K311 D313 M314 | L269-W306 HydrophobicContact CD1-CZ2 4.07Å; L269-W306 VanDerWaalsContact CD1-NE1 3.29Å; R273-W306 HydrophobicContact CB-CH2 4.39Å; R273-W306 HydrophobicContact CB-CZ2 3.91Å; R273-W306 HydrophobicContact CG-CZ2 4.33Å; M276-W306 HydrophobicContact CE-CH2 3.72Å; L302-W306 HydrophobicContact CB-CD2 4.49Å; L302-W306 HydrophobicContact CB-CE3 4.06Å; L302-W306 HydrophobicContact CB-CH2 4.12Å; L302-W306 HydrophobicContact CB-CZ2 4.47Å; L302-W306 HydrophobicContact CB-CZ3 3.9Å; L302-W306 HydrophobicContact CD1-CH2 4.11Å; L302-W306 HydrophobicContact CD2-CH2 4.49Å; L302-W306 HydrophobicContact CD2-CZ2 4.26Å; L302-W306 HydrophobicContact CG-CH2 4.49Å; L302-W306 WeakPolarHBondContact O-CB 3.09Å; L302-W306 PolarHBondContact O-N 2.84Å; E303-W306 PolarHBondContact O-N 2.92Å; D304-W306 VanDerWaalsContact C-N 3.31Å; D304-W306 PolarHBondContact O-N 2.91Å; W306-S309 WeakPolarHBondContact CA-OG 3.09Å; W306-S309 CarbonylContact O-C 3.51Å; W306-S309 PolarHBondContact O-N 2.66Å; W306-S309 PolarHBondContact O-OG 3.32Å; W306-G310 PolarHBondContact O-N 3.41Å; W306-K311 HydrophobicContact CB-CB 4.22Å; W306-K311 HydrophobicContact CG-CB 4.49Å; W306-K311 PolarHBondContact O-N 3.02Å; W306-D313 HydrophobicContact CD2-CB 3.51Å; W306-D313 HydrophobicContact CE3-CB 3.72Å; W306-D313 HydrophobicContact CG-CB 3.92Å; W306-D313 HydrophobicContact CH2-CB 4.19Å; W306-D313 HydrophobicContact CZ2-CB 4.07Å; W306-D313 HydrophobicContact CZ3-CB 4.02Å; W306-M314 HydrophobicContact CE3-CB 3.89Å; W306-M314 HydrophobicContact CE3-CE 3.94Å; W306-M314 HydrophobicContact CZ3-CB 4.15Å; W306-M314 HydrophobicContact CZ3-CE 3.56Å; W306-M314 HydrophobicContact CZ3-SD 4.09Å |
| 307 | K | 94.4 | Very high | 95.7 | Very high | 125 Ų | 125 | 46.3 Ų | 46.3 | 54% | 0.543 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 173.4 | -78.1 | 176.3 | -178.8 | 171.5 | 0 | 111.9 | E303 D304 S309 G310 | E303-K307 HydrophobicContact CG-CD 4.03Å; E303-K307 HydrophobicContact CG-CG 4.45Å; E303-K307 WeakPolarHBondContact O-CB 3.31Å; E303-K307 VanDerWaalsContact O-CG 3.28Å; E303-K307 WeakPolarHBondContact O-CG 3.44Å; E303-K307 PolarHBondContact O-N 3.47Å; E303-K307 WeakPolarHBondContact OE1-CE 3.44Å; E303-K307 IonicContact OE1-NZ 2.63Å; E303-K307 PolarHBondContact OE1-NZ 2.64Å; D304-K307 PolarHBondContact O-N 2.67Å; K307-S309 VanDerWaalsContact C-N 3.26Å; K307-S309 PolarHBondContact O-N 3.48Å; K307-G310 PolarHBondContact O-N 3.47Å |
| 308 | E | 93.5 | Very high | 95.7 | Very high | 166 Ų | 166 | 44.4 Ų | 44.4 | 78% | 0.776 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -60.8 | -36.5 | 177 | -73.4 | 173 | -176 | 0 | 0 | 112.1 | D304 G310 | D304-E308 WeakPolarHBondContact O-CB 3.23Å; D304-E308 VanDerWaalsContact O-CG 3.31Å; D304-E308 WeakPolarHBondContact O-CG 3.4Å; D304-E308 PolarHBondContact O-N 2.81Å; E308-G310 VanDerWaalsContact C-N 3.32Å |
| 309 | S | 90.9 | Very high | 95.6 | Very high | 62 Ų | 62 | 49.9 Ų | 49.9 | 43% | 0.434 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 2.5 | 175.5 | 57.1 | 0 | 0 | 0 | 0 | 114.5 | T305 W306 K307 K311 | T305-S309 WeakPolarHBondContact O-CB 3.46Å; T305-S309 PolarHBondContact O-N 3.13Å; T305-S309 VanDerWaalsContact O-N 3.16Å; T305-S309 PolarHBondContact O-OG 2.71Å; W306-S309 WeakPolarHBondContact CA-OG 3.09Å; W306-S309 CarbonylContact O-C 3.51Å; W306-S309 PolarHBondContact O-N 2.66Å; W306-S309 PolarHBondContact O-OG 3.32Å; K307-S309 VanDerWaalsContact C-N 3.26Å; K307-S309 PolarHBondContact O-N 3.48Å; S309-K311 VanDerWaalsContact C-N 3.28Å; S309-K311 PolarHBondContact O-N 3.31Å |
| 310 | G | 92.1 | Very high | 95.6 | Very high | 70 Ų | 70 | 53.9 Ų | 53.9 | 72% | 0.722 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 20 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | W306 K307 E308 | W306-G310 PolarHBondContact O-N 3.41Å; K307-G310 PolarHBondContact O-N 3.47Å; E308-G310 VanDerWaalsContact C-N 3.32Å |
| 311 | K | 94 | Very high | 95.7 | Very high | 98 Ų | 98 | 52.4 Ų | 52.4 | 43% | 0.426 | 28% | 0.28 | S | S | . | . | trans | -93.9 | 137.4 | -179.7 | -61.7 | -179.7 | -175.8 | 172.1 | 0 | 111.2 | W306 S309 D313 | W306-K311 HydrophobicContact CB-CB 4.22Å; W306-K311 HydrophobicContact CG-CB 4.49Å; W306-K311 PolarHBondContact O-N 3.02Å; S309-K311 VanDerWaalsContact C-N 3.28Å; S309-K311 PolarHBondContact O-N 3.31Å; K311-D313 VanDerWaalsContact C-N 3.25Å; K311-D313 WeakPolarHBondContact CB-OD2 3.46Å; K311-D313 VanDerWaalsContact CD-OD2 3.31Å; K311-D313 WeakPolarHBondContact CD-OD2 3.4Å; K311-D313 PolarHBondContact O-N 3.4Å | ||
| 312 | S | 95.3 | Very high | 95.7 | Very high | 59 Ų | 59 | 55.4 Ų | 55.4 | 41% | 0.413 | 29% | 0.292 | S | S | . | . | trans | -90.4 | 27.1 | 175.9 | 61 | 0 | 0 | 0 | 0 | 113.2 | M314 D315 Q316 | S312-M314 VanDerWaalsContact C-N 3.33Å; S312-M314 PolarHBondContact O-N 3.17Å; S312-D315 WeakPolarHBondContact O-CB 3.34Å; S312-D315 PolarHBondContact O-N 3.38Å; S312-D315 VanDerWaalsContact O-N 3.14Å; S312-Q316 WeakPolarHBondContact O-CG 3.39Å; S312-Q316 PolarHBondContact O-N 3.13Å; S312-Q316 VanDerWaalsContact O-N 3.08Å; S312-Q316 PolarHBondContact OG-NE2 3.48Å | ||
| 313 | D | 96.4 | Very high | 95.6 | Very high | 9 Ų | 9 | 59 Ų | 59 | 5% | 0.048 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.3 | -38.7 | -173.1 | -71.6 | -43.5 | 0 | 0 | 0 | 112.2 | R273 W306 K311 D315 Q316 I317 | R273-D313 WeakPolarHBondContact CD-OD1 3.38Å; R273-D313 IonicContact CZ-OD1 3.15Å; R273-D313 IonicContact NE-OD1 2.86Å; R273-D313 PolarHBondContact NE-OD1 3.33Å; R273-D313 IonicContact NH1-OD1 2.81Å; R273-D313 IonicContact NH2-OD1 3.83Å; R273-D313 PolarHBondContact NH2-OD1 3.4Å; W306-D313 HydrophobicContact CD2-CB 3.51Å; W306-D313 HydrophobicContact CE3-CB 3.72Å; W306-D313 HydrophobicContact CG-CB 3.92Å; W306-D313 HydrophobicContact CH2-CB 4.19Å; W306-D313 HydrophobicContact CZ2-CB 4.07Å; W306-D313 HydrophobicContact CZ3-CB 4.02Å; K311-D313 VanDerWaalsContact C-N 3.25Å; K311-D313 WeakPolarHBondContact CB-OD2 3.46Å; K311-D313 VanDerWaalsContact CD-OD2 3.31Å; K311-D313 WeakPolarHBondContact CD-OD2 3.4Å; K311-D313 PolarHBondContact O-N 3.4Å; D313-D315 VanDerWaalsContact C-N 3.32Å; D313-D315 PolarHBondContact O-N 2.95Å; D313-Q316 PolarHBondContact O-N 2.9Å; D313-I317 VanDerWaalsContact O-CG1 3.28Å; D313-I317 WeakPolarHBondContact O-CG1 3.28Å; D313-I317 PolarHBondContact O-N 3.3Å |
| 314 | M | 97.3 | Very high | 95.6 | Very high | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.025 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.6 | -35.8 | 175.8 | -164.3 | 57.9 | 78.8 | 0 | 0 | 112.2 | L295 G299 L302 E303 W306 S312 I317 V318 W349 | L295-M314 HydrophobicContact CD2-CE 4.34Å; L295-M314 HydrophobicContact CD2-SD 4.2Å; G299-M314 VanDerWaalsContact O-CE 3.23Å; G299-M314 WeakPolarHBondContact O-CE 3.44Å; L302-M314 HydrophobicContact CB-CE 3.87Å; E303-M314 HydrophobicContact CB-CE 3.87Å; E303-M314 HydrophobicContact CB-CG 4.27Å; E303-M314 HydrophobicContact CG-CB 4.46Å; E303-M314 HydrophobicContact CG-CG 4.32Å; W306-M314 HydrophobicContact CE3-CB 3.89Å; W306-M314 HydrophobicContact CE3-CE 3.94Å; W306-M314 HydrophobicContact CZ3-CB 4.15Å; W306-M314 HydrophobicContact CZ3-CE 3.56Å; W306-M314 HydrophobicContact CZ3-SD 4.09Å; S312-M314 VanDerWaalsContact C-N 3.33Å; S312-M314 PolarHBondContact O-N 3.17Å; M314-I317 PolarHBondContact O-N 3.48Å; M314-I317 HydrophobicContact SD-CG2 4.48Å; M314-V318 WeakPolarHBondContact O-CG2 3.46Å; M314-V318 PolarHBondContact O-N 2.89Å; M314-W349 HydrophobicContact CE-CZ2 3.87Å; M314-W349 HydrophobicContact CG-CZ2 4.47Å; M314-W349 HydrophobicContact SD-CH2 4.44Å; M314-W349 HydrophobicContact SD-CZ2 3.94Å |
| 315 | D | 97.3 | Very high | 95.6 | Very high | 89 Ų | 89 | 57.8 Ų | 57.8 | 48% | 0.476 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.8 | -45.6 | 175.8 | -61.8 | -47.2 | 0 | 0 | 0 | 111.1 | S312 D313 I317 V318 Q319 R345 | S312-D315 WeakPolarHBondContact O-CB 3.34Å; S312-D315 PolarHBondContact O-N 3.38Å; S312-D315 VanDerWaalsContact O-N 3.14Å; D313-D315 VanDerWaalsContact C-N 3.32Å; D313-D315 PolarHBondContact O-N 2.95Å; D315-I317 VanDerWaalsContact C-N 3.32Å; D315-I317 PolarHBondContact O-N 3.38Å; D315-V318 PolarHBondContact O-N 3.18Å; D315-Q319 WeakPolarHBondContact O-CB 3.14Å; D315-Q319 PolarHBondContact O-N 3.01Å; D315-R345 IonicContact OD1-CZ 2.66Å; D315-R345 IonicContact OD1-NH1 2.81Å; D315-R345 PolarHBondContact OD1-NH1 3.04Å; D315-R345 IonicContact OD1-NH2 3.48Å; D315-R345 PolarHBondContact OD1-NH2 2.77Å |
| 316 | Q | 97.5 | Very high | 95.5 | Very high | 77 Ų | 77 | 62.6 Ų | 62.6 | 36% | 0.36 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.4 | -41 | 176.8 | -67 | 167.5 | 41 | 0 | 0 | 111.7 | S312 D313 R320 | S312-Q316 WeakPolarHBondContact O-CG 3.39Å; S312-Q316 PolarHBondContact O-N 3.13Å; S312-Q316 VanDerWaalsContact O-N 3.08Å; S312-Q316 PolarHBondContact OG-NE2 3.48Å; D313-Q316 PolarHBondContact O-N 2.9Å; Q316-R320 WeakPolarHBondContact O-CB 3.1Å; Q316-R320 PolarHBondContact O-N 2.87Å |
| 317 | I | 97.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 177.4 | -71.6 | -67.4 | 0 | 0 | 0 | 111.1 | M276 F280 L295 D313 M314 D315 R320 I321 | M276-I317 HydrophobicContact CB-CD1 3.84Å; M276-I317 HydrophobicContact CE-CD1 4.44Å; M276-I317 HydrophobicContact SD-CD1 4.48Å; M276-I317 HydrophobicContact SD-CG2 4.5Å; F280-I317 HydrophobicContact CD2-CD1 4.35Å; F280-I317 HydrophobicContact CE2-CD1 4.08Å; F280-I317 HydrophobicContact CE2-CG2 3.95Å; L295-I317 HydrophobicContact CD1-CG2 3.96Å; L295-I317 HydrophobicContact CD2-CG2 4.3Å; D313-I317 VanDerWaalsContact O-CG1 3.28Å; D313-I317 WeakPolarHBondContact O-CG1 3.28Å; D313-I317 PolarHBondContact O-N 3.3Å; M314-I317 PolarHBondContact O-N 3.48Å; M314-I317 HydrophobicContact SD-CG2 4.48Å; D315-I317 VanDerWaalsContact C-N 3.32Å; D315-I317 PolarHBondContact O-N 3.38Å; I317-R320 WeakPolarHBondContact O-CB 3.5Å; I317-R320 PolarHBondContact O-N 2.91Å; I317-I321 HydrophobicContact CG2-CD1 4.07Å; I317-I321 WeakPolarHBondContact O-CG1 3.37Å; I317-I321 PolarHBondContact O-N 3.38Å |
| 318 | V | 97 | Very high | 94.7 | Very high | 13 Ų | 13 | 63 Ų | 63 | 8% | 0.079 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.5 | -42.6 | 178.1 | 168.7 | 0 | 0 | 0 | 0 | 112.5 | M314 D315 R320 I321 E322 V342 R345 | M314-V318 WeakPolarHBondContact O-CG2 3.46Å; M314-V318 PolarHBondContact O-N 2.89Å; D315-V318 PolarHBondContact O-N 3.18Å; V318-R320 PolarHBondContact O-N 3.42Å; V318-I321 WeakPolarHBondContact O-CA 3.47Å; V318-I321 WeakPolarHBondContact O-CB 3.47Å; V318-I321 PolarHBondContact O-N 2.92Å; V318-E322 HydrophobicContact CG1-CG 4.42Å; V318-E322 WeakPolarHBondContact O-CG 3.27Å; V318-E322 PolarHBondContact O-N 2.88Å; V318-V342 HydrophobicContact CG1-CG1 4.22Å; V318-V342 HydrophobicContact CG1-CG2 4.23Å; V318-R345 VanDerWaalsContact CB-NH1 3.29Å |
| 319 | Q | 97 | Very high | 94.4 | Very high | 114 Ų | 114 | 64.3 Ų | 64.3 | 53% | 0.533 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -56.8 | -38.6 | 174.3 | -173.3 | -179.1 | 19.3 | 0 | 0 | 111.1 | D315 E322 N323 | D315-Q319 WeakPolarHBondContact O-CB 3.14Å; D315-Q319 PolarHBondContact O-N 3.01Å; Q319-E322 PolarHBondContact O-N 3Å; Q319-N323 PolarHBondContact O-N 3.48Å; Q319-N323 PolarHBondContact O-ND2 2.86Å |
| 320 | R | 96.5 | Very high | 94.5 | Very high | 84 Ų | 84 | 62 Ų | 62 | 32% | 0.317 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.3 | -38.1 | 176.2 | -162.4 | 168.1 | -174.1 | 159.9 | 3 | 112.3 | N277 F280 Q316 I317 V318 I324 | N277-R320 PolarHBondContact O-NH2 3.31Å; N277-R320 PolarHBondContact OD1-NH1 3.39Å; F280-R320 HydrophobicContact CB-CG 4.09Å; F280-R320 HydrophobicContact CD2-CG 4.43Å; F280-R320 HydrophobicContact CG-CG 4.4Å; Q316-R320 WeakPolarHBondContact O-CB 3.1Å; Q316-R320 PolarHBondContact O-N 2.87Å; I317-R320 WeakPolarHBondContact O-CB 3.5Å; I317-R320 PolarHBondContact O-N 2.91Å; V318-R320 PolarHBondContact O-N 3.42Å; R320-I324 HydrophobicContact CG-CD1 4.42Å; R320-I324 VanDerWaalsContact O-CG1 3.28Å; R320-I324 WeakPolarHBondContact O-CG1 3.32Å; R320-I324 PolarHBondContact O-N 2.95Å |
| 321 | I | 97.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.4 | -46.4 | 173.3 | -71.1 | 160.9 | 0 | 0 | 0 | 110.8 | F280 L295 I317 V318 N323 I324 V325 L338 L341 V342 | F280-I321 HydrophobicContact CE1-CD1 4.48Å; F280-I321 HydrophobicContact CE1-CG1 3.8Å; F280-I321 HydrophobicContact CE2-CG1 4.23Å; F280-I321 HydrophobicContact CZ-CD1 3.84Å; F280-I321 HydrophobicContact CZ-CG1 3.55Å; L295-I321 HydrophobicContact CD1-CD1 3.79Å; I317-I321 HydrophobicContact CG2-CD1 4.07Å; I317-I321 WeakPolarHBondContact O-CG1 3.37Å; I317-I321 PolarHBondContact O-N 3.38Å; V318-I321 WeakPolarHBondContact O-CA 3.47Å; V318-I321 WeakPolarHBondContact O-CB 3.47Å; V318-I321 PolarHBondContact O-N 2.92Å; I321-N323 PolarHBondContact O-N 2.97Å; I321-I324 PolarHBondContact O-N 3.5Å; I321-V325 HydrophobicContact CG2-CG2 4.48Å; I321-V325 WeakPolarHBondContact O-CG2 3.37Å; I321-V325 PolarHBondContact O-N 3.44Å; I321-L338 HydrophobicContact CG1-CD2 4.36Å; I321-L338 HydrophobicContact CG2-CB 3.84Å; I321-L338 HydrophobicContact CG2-CD2 3.93Å; I321-L338 HydrophobicContact CG2-CG 4.35Å; I321-L341 HydrophobicContact CD1-CD2 3.8Å; I321-V342 HydrophobicContact CG2-CG2 3.89Å |
| 322 | E | 96.1 | Very high | 94.7 | Very high | 92 Ų | 92 | 66.5 Ų | 66.5 | 43% | 0.43 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.5 | -47.4 | 177.7 | -70 | 172.5 | 170.5 | 0 | 0 | 111.4 | V318 Q319 I324 V325 L326 | V318-E322 HydrophobicContact CG1-CG 4.42Å; V318-E322 WeakPolarHBondContact O-CG 3.27Å; V318-E322 PolarHBondContact O-N 2.88Å; Q319-E322 PolarHBondContact O-N 3Å; E322-I324 VanDerWaalsContact C-N 3.32Å; E322-I324 PolarHBondContact O-N 3.32Å; E322-V325 PolarHBondContact O-N 3.04Å; E322-L326 WeakPolarHBondContact O-CG 3.4Å; E322-L326 PolarHBondContact O-N 3.49Å; E322-L326 VanDerWaalsContact O-N 3.13Å |
| 323 | N | 96.1 | Very high | 94.8 | Very high | 76 Ų | 76 | 68.5 Ų | 68.5 | 41% | 0.406 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.4 | -41.7 | 175.8 | -66.8 | -19.4 | 0 | 0 | 0 | 112 | Q319 I321 V325 L326 D327 | Q319-N323 PolarHBondContact O-N 3.48Å; Q319-N323 PolarHBondContact O-ND2 2.86Å; I321-N323 PolarHBondContact O-N 2.97Å; N323-V325 PolarHBondContact O-N 2.94Å; N323-L326 PolarHBondContact O-N 3.42Å; N323-D327 WeakPolarHBondContact O-CB 3.44Å; N323-D327 PolarHBondContact O-N 3.49Å |
| 324 | I | 95.6 | Very high | 94.8 | Very high | 15 Ų | 15 | 68.4 Ų | 68.4 | 8% | 0.077 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.7 | -41 | 177 | -73.7 | 167.7 | 0 | 0 | 0 | 111.4 | F280 P283 L288 R320 I321 E322 L326 D327 A328 L338 | F280-I324 HydrophobicContact CB-CD1 3.67Å; F280-I324 HydrophobicContact CD1-CD1 3.51Å; F280-I324 HydrophobicContact CE1-CD1 4.46Å; F280-I324 HydrophobicContact CG-CD1 3.85Å; P283-I324 HydrophobicContact CB-CD1 4.43Å; P283-I324 HydrophobicContact CB-CG1 4.48Å; P283-I324 HydrophobicContact CB-CG2 4.15Å; L288-I324 HydrophobicContact CD1-CG2 4.14Å; L288-I324 HydrophobicContact CD2-CD1 4.23Å; L288-I324 HydrophobicContact CD2-CG2 4Å; R320-I324 HydrophobicContact CG-CD1 4.42Å; R320-I324 VanDerWaalsContact O-CG1 3.28Å; R320-I324 WeakPolarHBondContact O-CG1 3.32Å; R320-I324 PolarHBondContact O-N 2.95Å; I321-I324 PolarHBondContact O-N 3.5Å; E322-I324 VanDerWaalsContact C-N 3.32Å; E322-I324 PolarHBondContact O-N 3.32Å; I324-L326 VanDerWaalsContact C-N 3.26Å; I324-L326 PolarHBondContact O-N 2.94Å; I324-D327 PolarHBondContact O-N 3.04Å; I324-A328 HydrophobicContact CB-CB 4.44Å; I324-A328 HydrophobicContact CG2-CB 3.75Å; I324-A328 WeakPolarHBondContact O-CA 3.46Å; I324-A328 WeakPolarHBondContact O-CB 3.37Å; I324-A328 PolarHBondContact O-N 3.03Å; I324-L338 HydrophobicContact CG2-CD1 3.9Å |
| 325 | V | 95.4 | Very high | 94.8 | Very high | 23 Ų | 23 | 70.6 Ų | 70.6 | 14% | 0.139 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.2 | -39.6 | 178.4 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | I321 E322 N323 K335 L338 L339 | I321-V325 HydrophobicContact CG2-CG2 4.48Å; I321-V325 WeakPolarHBondContact O-CG2 3.37Å; I321-V325 PolarHBondContact O-N 3.44Å; E322-V325 PolarHBondContact O-N 3.04Å; N323-V325 PolarHBondContact O-N 2.94Å; V325-K335 PolarHBondContact O-NZ 3.14Å; V325-L338 HydrophobicContact CG2-CB 3.66Å; V325-L338 HydrophobicContact CG2-CD1 4.01Å; V325-L339 HydrophobicContact CG1-CD1 4.4Å; V325-L339 HydrophobicContact CG1-CD2 3.99Å; V325-L339 HydrophobicContact CG1-CG 4.1Å; V325-L339 HydrophobicContact CG2-CG 4.46Å |
| 326 | L | 93.7 | Very high | 94.8 | Very high | 131 Ų | 131 | 70.6 Ų | 70.6 | 69% | 0.686 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -70.7 | -50.1 | 177.4 | -64.1 | 174 | 0 | 0 | 0 | 112.4 | E322 N323 I324 | E322-L326 WeakPolarHBondContact O-CG 3.4Å; E322-L326 PolarHBondContact O-N 3.49Å; E322-L326 VanDerWaalsContact O-N 3.13Å; N323-L326 PolarHBondContact O-N 3.42Å; I324-L326 VanDerWaalsContact C-N 3.26Å; I324-L326 PolarHBondContact O-N 2.94Å |
| 327 | D | 89.1 | Confident | 94.8 | Very high | 127 Ų | 127 | 71 Ų | 71 | 68% | 0.679 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -102.8 | -27.2 | -162.3 | -61.2 | -30.5 | 0 | 0 | 0 | 114.4 | N323 I324 | N323-D327 WeakPolarHBondContact O-CB 3.44Å; N323-D327 PolarHBondContact O-N 3.49Å; I324-D327 PolarHBondContact O-N 3.04Å |
| 328 | A | 82.9 | Confident | 94.8 | Very high | 11 Ų | 11 | 71 Ų | 71 | 9% | 0.091 | 35% | 0.345 | C | S | . | . | trans | -82 | 144.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P283 I324 C330 K335 | P283-A328 HydrophobicContact CB-CB 4.11Å; P283-A328 HydrophobicContact CG-CB 4.01Å; I324-A328 HydrophobicContact CB-CB 4.44Å; I324-A328 HydrophobicContact CG2-CB 3.75Å; I324-A328 WeakPolarHBondContact O-CA 3.46Å; I324-A328 WeakPolarHBondContact O-CB 3.37Å; I324-A328 PolarHBondContact O-N 3.03Å; A328-C330 VanDerWaalsContact C-N 3.27Å; A328-C330 PolarHBondContact O-N 2.95Å; A328-K335 WeakPolarHBondContact O-CE 3.18Å; A328-K335 PolarHBondContact O-NZ 3.5Å | ||
| 329 | Q | 88.3 | Confident | 94.8 | Very high | 194 Ų | 194 | 73.9 Ų | 73.9 | 91% | 0.907 | 36% | 0.36 | S | S | * | . | trans | -89.2 | 55.7 | 174.2 | -61.9 | -64.2 | -28.1 | 0 | 0 | 110.9 | ||||
| 330 | C | 91.4 | Very high | 94.9 | Very high | 13 Ų | 13 | 75.4 Ų | 75.4 | 9% | 0.088 | 36% | 0.361 | C | S | . | . | trans | -95.8 | 162.6 | 171.8 | 60.5 | 0 | 0 | 0 | 0 | 111.4 | D285 L288 A328 V334 K335 | D285-C330 WeakPolarHBondContact OD1-CA 3.4Å; D285-C330 VanDerWaalsContact OD1-CB 3.27Å; D285-C330 WeakPolarHBondContact OD1-CB 3.47Å; L288-C330 HydrophobicContact CD1-CB 3.54Å; A328-C330 VanDerWaalsContact C-N 3.27Å; A328-C330 PolarHBondContact O-N 2.95Å; C330-V334 HydrophobicContact CB-CG1 4.45Å; C330-K335 WeakPolarHBondContact SG-CG 3.27Å | ||
| 331 | S | 95.8 | Very high | 94.9 | Very high | 58 Ų | 58 | 71.6 Ų | 71.6 | 41% | 0.406 | 35% | 0.347 | S | S | . | . | trans | -59.8 | 148.1 | -177.8 | -69.6 | 0 | 0 | 0 | 0 | 112.3 | D285 D333 V334 K335 | D285-S331 PolarHBondContact OD1-N 3.17Å; D285-S331 WeakPolarHBondContact OD2-CB 3.46Å; D285-S331 PolarHBondContact OD2-OG 3.31Å; S331-D333 PolarHBondContact O-N 3.16Å; S331-V334 WeakPolarHBondContact O-CB 3.24Å; S331-V334 PolarHBondContact O-N 3.18Å; S331-K335 PolarHBondContact O-N 2.95Å | ||
| 332 | R | 95.7 | Very high | 94.9 | Very high | 204 Ų | 204 | 73.1 Ų | 73.1 | 77% | 0.77 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -53.5 | -41.8 | 179.7 | -173 | -173.7 | 69.3 | -178.3 | -0.1 | 112.4 | V334 K335 Q336 | R332-V334 VanDerWaalsContact C-N 3.32Å; R332-V334 PolarHBondContact O-N 3.41Å; R332-K335 WeakPolarHBondContact O-CB 3.32Å; R332-K335 PolarHBondContact O-N 2.99Å; R332-Q336 PolarHBondContact O-N 2.85Å |
| 333 | D | 96.9 | Very high | 94.9 | Very high | 102 Ų | 102 | 72.7 Ų | 72.7 | 55% | 0.545 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.4 | -35.5 | -178.8 | -59.3 | -19.3 | 0 | 0 | 0 | 111.3 | S331 Q336 M337 | S331-D333 PolarHBondContact O-N 3.16Å; D333-Q336 WeakPolarHBondContact O-CB 3.29Å; D333-Q336 PolarHBondContact O-N 3.21Å; D333-M337 WeakPolarHBondContact O-CG 3.13Å; D333-M337 PolarHBondContact O-N 3.05Å |
| 334 | V | 97.4 | Very high | 94.9 | Very high | 6 Ų | 6 | 71.4 Ų | 71.4 | 4% | 0.036 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.6 | -41.7 | 174.2 | 178.2 | 0 | 0 | 0 | 0 | 111 | D285 L288 I289 C330 S331 R332 Q336 M337 L338 | D285-V334 HydrophobicContact CB-CG2 3.94Å; L288-V334 HydrophobicContact CB-CG1 3.54Å; L288-V334 HydrophobicContact CD1-CG1 3.7Å; L288-V334 HydrophobicContact CG-CG1 4.29Å; I289-V334 HydrophobicContact CD1-CG2 4.13Å; I289-V334 HydrophobicContact CG1-CG2 4.09Å; C330-V334 HydrophobicContact CB-CG1 4.45Å; S331-V334 WeakPolarHBondContact O-CB 3.24Å; S331-V334 PolarHBondContact O-N 3.18Å; R332-V334 VanDerWaalsContact C-N 3.32Å; R332-V334 PolarHBondContact O-N 3.41Å; V334-Q336 VanDerWaalsContact C-N 3.27Å; V334-Q336 PolarHBondContact O-N 3.21Å; V334-M337 WeakPolarHBondContact O-CB 3.44Å; V334-M337 PolarHBondContact O-N 3.2Å; V334-M337 VanDerWaalsContact O-N 3.16Å; V334-L338 WeakPolarHBondContact O-CG 3.49Å; V334-L338 PolarHBondContact O-N 2.92Å |
| 335 | K | 96.6 | Very high | 94.9 | Very high | 51 Ų | 51 | 72.6 Ų | 72.6 | 22% | 0.222 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57.6 | -42.5 | 171.3 | -66.8 | -167.9 | 179.1 | -150.4 | 0 | 111.5 | V325 A328 C330 S331 R332 L338 L339 | V325-K335 PolarHBondContact O-NZ 3.14Å; A328-K335 WeakPolarHBondContact O-CE 3.18Å; A328-K335 PolarHBondContact O-NZ 3.5Å; C330-K335 WeakPolarHBondContact SG-CG 3.27Å; S331-K335 PolarHBondContact O-N 2.95Å; R332-K335 WeakPolarHBondContact O-CB 3.32Å; R332-K335 PolarHBondContact O-N 2.99Å; K335-L338 PolarHBondContact O-N 3.46Å; K335-L339 WeakPolarHBondContact O-CG 3.47Å; K335-L339 PolarHBondContact O-N 2.97Å |
| 336 | Q | 97.3 | Very high | 94.8 | Very high | 89 Ų | 89 | 76.2 Ų | 76.2 | 42% | 0.416 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 176.5 | -172.6 | 60.7 | 64.8 | 0 | 0 | 112 | R332 D333 V334 L338 L339 R340 | R332-Q336 PolarHBondContact O-N 2.85Å; D333-Q336 WeakPolarHBondContact O-CB 3.29Å; D333-Q336 PolarHBondContact O-N 3.21Å; V334-Q336 VanDerWaalsContact C-N 3.27Å; V334-Q336 PolarHBondContact O-N 3.21Å; Q336-L338 VanDerWaalsContact C-N 3.33Å; Q336-L338 PolarHBondContact O-N 3.11Å; Q336-L339 PolarHBondContact O-N 3.13Å; Q336-R340 WeakPolarHBondContact O-CG 3.42Å; Q336-R340 PolarHBondContact O-N 3.02Å |
| 337 | M | 97.9 | Very high | 94.9 | Very high | 86 Ų | 86 | 73.4 Ų | 73.4 | 42% | 0.424 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.1 | -42.4 | 174.1 | -71.2 | -179.7 | -167.7 | 0 | 0 | 112 | I289 V292 D333 V334 R340 L341 | I289-M337 HydrophobicContact CG1-SD 4.32Å; V292-M337 HydrophobicContact CG1-CB 4.49Å; V292-M337 HydrophobicContact CG2-CB 4.39Å; D333-M337 WeakPolarHBondContact O-CG 3.13Å; D333-M337 PolarHBondContact O-N 3.05Å; V334-M337 WeakPolarHBondContact O-CB 3.44Å; V334-M337 PolarHBondContact O-N 3.2Å; V334-M337 VanDerWaalsContact O-N 3.16Å; M337-R340 PolarHBondContact O-N 3.27Å; M337-L341 PolarHBondContact O-N 2.97Å |
| 338 | L | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 176.6 | -70.8 | 172.3 | 0 | 0 | 0 | 111.8 | L288 V292 I321 I324 V325 V334 K335 Q336 R340 L341 V342 | L288-L338 HydrophobicContact CD1-CD1 4.24Å; L288-L338 HydrophobicContact CD2-CD1 4.43Å; V292-L338 HydrophobicContact CG2-CD2 3.62Å; V292-L338 HydrophobicContact CG2-CG 4.3Å; I321-L338 HydrophobicContact CG1-CD2 4.36Å; I321-L338 HydrophobicContact CG2-CB 3.84Å; I321-L338 HydrophobicContact CG2-CD2 3.93Å; I321-L338 HydrophobicContact CG2-CG 4.35Å; I324-L338 HydrophobicContact CG2-CD1 3.9Å; V325-L338 HydrophobicContact CG2-CB 3.66Å; V325-L338 HydrophobicContact CG2-CD1 4.01Å; V334-L338 WeakPolarHBondContact O-CG 3.49Å; V334-L338 PolarHBondContact O-N 2.92Å; K335-L338 PolarHBondContact O-N 3.46Å; Q336-L338 VanDerWaalsContact C-N 3.33Å; Q336-L338 PolarHBondContact O-N 3.11Å; L338-R340 VanDerWaalsContact C-N 3.35Å; L338-R340 PolarHBondContact O-N 3.07Å; L338-L341 VanDerWaalsContact O-CB 3.27Å; L338-L341 WeakPolarHBondContact O-CB 3.44Å; L338-L341 PolarHBondContact O-N 3.36Å; L338-L341 VanDerWaalsContact O-N 3.07Å; L338-V342 PolarHBondContact O-N 2.87Å; L338-V342 VanDerWaalsContact O-N 3.11Å |
| 339 | L | 97.3 | Very high | 95.7 | Very high | 74 Ų | 74 | 70 Ų | 70 | 39% | 0.387 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 174.3 | -73 | 172.7 | 0 | 0 | 0 | 111.8 | V325 K335 Q336 L341 V342 E343 | V325-L339 HydrophobicContact CG1-CD1 4.4Å; V325-L339 HydrophobicContact CG1-CD2 3.99Å; V325-L339 HydrophobicContact CG1-CG 4.1Å; V325-L339 HydrophobicContact CG2-CG 4.46Å; K335-L339 WeakPolarHBondContact O-CG 3.47Å; K335-L339 PolarHBondContact O-N 2.97Å; Q336-L339 PolarHBondContact O-N 3.13Å; L339-L341 PolarHBondContact O-N 2.95Å; L339-V342 PolarHBondContact O-N 3.36Å; L339-V342 VanDerWaalsContact O-N 3.13Å; L339-E343 PolarHBondContact O-N 3.48Å |
| 340 | R | 97.3 | Very high | 95.7 | Very high | 147 Ų | 147 | 63.3 Ų | 63.3 | 56% | 0.555 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.7 | -29.4 | 174.6 | -69.6 | -53.9 | -170.8 | 171.8 | 0.5 | 112.8 | Q336 M337 L338 E343 L344 | Q336-R340 WeakPolarHBondContact O-CG 3.42Å; Q336-R340 PolarHBondContact O-N 3.02Å; M337-R340 PolarHBondContact O-N 3.27Å; L338-R340 VanDerWaalsContact C-N 3.35Å; L338-R340 PolarHBondContact O-N 3.07Å; R340-E343 WeakPolarHBondContact CD-OE2 3.44Å; R340-E343 IonicContact CZ-OE2 3.72Å; R340-E343 IonicContact NE-OE2 2.73Å; R340-E343 IonicContact NH1-OE1 2.71Å; R340-E343 IonicContact NH1-OE2 3.57Å; R340-E343 PolarHBondContact NH1-OE2 3.21Å; R340-L344 VanDerWaalsContact O-CB 3.29Å; R340-L344 WeakPolarHBondContact O-CB 3.45Å; R340-L344 PolarHBondContact O-N 3.2Å |
| 341 | L | 97.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -70.7 | -39.4 | 175.3 | -168.3 | 70.5 | 0 | 0 | 0 | 111.7 | V292 L295 K296 I321 M337 L338 L339 L344 R345 W349 | V292-L341 HydrophobicContact CG2-CD2 4.26Å; L295-L341 HydrophobicContact CB-CD1 3.94Å; L295-L341 HydrophobicContact CB-CD2 3.87Å; L295-L341 HydrophobicContact CB-CG 4.39Å; L295-L341 HydrophobicContact CD1-CD2 3.4Å; L295-L341 HydrophobicContact CD1-CG 4.48Å; L295-L341 HydrophobicContact CG-CD2 4.27Å; K296-L341 HydrophobicContact CG-CD1 4.08Å; I321-L341 HydrophobicContact CD1-CD2 3.8Å; M337-L341 PolarHBondContact O-N 2.97Å; L338-L341 VanDerWaalsContact O-CB 3.27Å; L338-L341 WeakPolarHBondContact O-CB 3.44Å; L338-L341 PolarHBondContact O-N 3.36Å; L338-L341 VanDerWaalsContact O-N 3.07Å; L339-L341 PolarHBondContact O-N 2.95Å; L341-L344 HydrophobicContact CD1-CD2 4.37Å; L341-L344 PolarHBondContact O-N 2.97Å; L341-R345 PolarHBondContact O-N 3.29Å; L341-W349 HydrophobicContact CD1-CZ3 4.09Å |
| 342 | V | 96.9 | Very high | 94.7 | Very high | 33 Ų | 33 | 69.9 Ų | 69.9 | 20% | 0.2 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 173 | -179.7 | 0 | 0 | 0 | 0 | 110.4 | V318 I321 L338 L339 L344 R345 S346 | V318-V342 HydrophobicContact CG1-CG1 4.22Å; V318-V342 HydrophobicContact CG1-CG2 4.23Å; I321-V342 HydrophobicContact CG2-CG2 3.89Å; L338-V342 PolarHBondContact O-N 2.87Å; L338-V342 VanDerWaalsContact O-N 3.11Å; L339-V342 PolarHBondContact O-N 3.36Å; L339-V342 VanDerWaalsContact O-N 3.13Å; V342-L344 PolarHBondContact O-N 3.29Å; V342-R345 PolarHBondContact O-N 3.47Å; V342-S346 PolarHBondContact O-N 3.48Å |
| 343 | E | 96.4 | Very high | 92.8 | Very high | 82 Ų | 82 | 66.5 Ų | 66.5 | 38% | 0.383 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.7 | -45.4 | 173.4 | -70.2 | 172.6 | -163.7 | 0 | 0 | 112.1 | L339 R340 R345 S346 S347 | L339-E343 PolarHBondContact O-N 3.48Å; R340-E343 WeakPolarHBondContact CD-OE2 3.44Å; R340-E343 IonicContact CZ-OE2 3.72Å; R340-E343 IonicContact NE-OE2 2.73Å; R340-E343 IonicContact NH1-OE1 2.71Å; R340-E343 IonicContact NH1-OE2 3.57Å; R340-E343 PolarHBondContact NH1-OE2 3.21Å; E343-R345 VanDerWaalsContact C-N 3.32Å; E343-R345 PolarHBondContact O-N 2.55Å; E343-S346 WeakPolarHBondContact CA-OG 3.13Å; E343-S346 PolarHBondContact O-N 3.01Å; E343-S346 VanDerWaalsContact O-N 3.16Å; E343-S346 PolarHBondContact O-OG 3Å; E343-S347 PolarHBondContact O-N 2.96Å; E343-S347 PolarHBondContact O-OG 2.84Å; E343-S347 VanDerWaalsContact O-OG 3.04Å |
| 344 | L | 96.4 | Very high | 90.7 | Very high | 50 Ų | 50 | 65.5 Ų | 65.5 | 26% | 0.262 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.4 | -46.1 | 177 | 179.4 | 63 | 0 | 0 | 0 | 111 | K296 R340 L341 V342 S347 W349 | K296-L344 HydrophobicContact CG-CD2 4.27Å; R340-L344 VanDerWaalsContact O-CB 3.29Å; R340-L344 WeakPolarHBondContact O-CB 3.45Å; R340-L344 PolarHBondContact O-N 3.2Å; L341-L344 HydrophobicContact CD1-CD2 4.37Å; L341-L344 PolarHBondContact O-N 2.97Å; V342-L344 PolarHBondContact O-N 3.29Å; L344-S347 CarbonylContact O-C 3.47Å; L344-S347 PolarHBondContact O-N 3.02Å; L344-W349 HydrophobicContact CD2-CE3 3.86Å; L344-W349 HydrophobicContact CD2-CZ3 4.2Å; L344-W349 HydrophobicContact CG-CE3 3.95Å; L344-W349 VanDerWaalsContact O-CA 3.24Å; L344-W349 WeakPolarHBondContact O-CA 3.44Å; L344-W349 PolarHBondContact O-N 3.24Å |
| 345 | R | 95.1 | Very high | 88.5 | Confident | 40 Ų | 40 | 68.5 Ų | 68.5 | 15% | 0.151 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 174.9 | -175.2 | -172.7 | 177.4 | -147 | -3.8 | 112 | E303 D315 V318 L341 V342 E343 S347 N348 W349 | E303-R345 WeakPolarHBondContact OE2-CG 3.34Å; E303-R345 IonicContact OE2-NE 3.43Å; E303-R345 PolarHBondContact OE2-NE 2.96Å; D315-R345 IonicContact OD1-CZ 2.66Å; D315-R345 IonicContact OD1-NH1 2.81Å; D315-R345 PolarHBondContact OD1-NH1 3.04Å; D315-R345 IonicContact OD1-NH2 3.48Å; D315-R345 PolarHBondContact OD1-NH2 2.77Å; V318-R345 VanDerWaalsContact CB-NH1 3.29Å; L341-R345 PolarHBondContact O-N 3.29Å; V342-R345 PolarHBondContact O-N 3.47Å; E343-R345 VanDerWaalsContact C-N 3.32Å; E343-R345 PolarHBondContact O-N 2.55Å; R345-S347 PolarHBondContact O-N 3.3Å; R345-N348 WeakPolarHBondContact O-CA 3.46Å; R345-N348 PolarHBondContact O-N 3.34Å; R345-W349 HydrophobicContact CB-CH2 4.37Å; R345-W349 HydrophobicContact CB-CZ2 4.01Å; R345-W349 HydrophobicContact CG-CZ2 3.88Å |
| 346 | S | 94.3 | Very high | 86.3 | Confident | 98 Ų | 98 | 69.2 Ų | 69.2 | 69% | 0.685 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -60.7 | -26.4 | 178.2 | 75.7 | 0 | 0 | 0 | 0 | 112.8 | V342 E343 N348 | V342-S346 PolarHBondContact O-N 3.48Å; E343-S346 WeakPolarHBondContact CA-OG 3.13Å; E343-S346 PolarHBondContact O-N 3.01Å; E343-S346 VanDerWaalsContact O-N 3.16Å; E343-S346 PolarHBondContact O-OG 3Å; S346-N348 PolarHBondContact O-N 3.12Å |
| 347 | S | 94.3 | Very high | 83.9 | Confident | 73 Ų | 73 | 68.3 Ų | 68.3 | 51% | 0.51 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 26.1 | 174.7 | -52.9 | 0 | 0 | 0 | 0 | 112.3 | E343 L344 R345 W349 G350 | E343-S347 PolarHBondContact O-N 2.96Å; E343-S347 PolarHBondContact O-OG 2.84Å; E343-S347 VanDerWaalsContact O-OG 3.04Å; L344-S347 CarbonylContact O-C 3.47Å; L344-S347 PolarHBondContact O-N 3.02Å; R345-S347 PolarHBondContact O-N 3.3Å; S347-W349 PolarHBondContact O-N 3.39Å; S347-G350 PolarHBondContact O-N 2.66Å |
| 348 | N | 93.4 | Very high | 81.7 | Confident | 38 Ų | 38 | 67.5 Ų | 67.5 | 20% | 0.203 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | 49.5 | 43.1 | -176.7 | -171.4 | 27 | 0 | 0 | 0 | 113.3 | R345 S346 G350 R351 | R345-N348 WeakPolarHBondContact O-CA 3.46Å; R345-N348 PolarHBondContact O-N 3.34Å; S346-N348 PolarHBondContact O-N 3.12Å; N348-G350 PolarHBondContact O-N 3.04Å; N348-R351 WeakPolarHBondContact O-CB 3.33Å; N348-R351 WeakPolarHBondContact O-CG 3.48Å; N348-R351 PolarHBondContact O-N 2.96Å; N348-R351 PolarHBondContact O-NE 2.94Å; N348-R351 PolarHBondContact OD1-NH2 2.71Å; N348-R351 VanDerWaalsContact OD1-NH2 3.13Å |
| 349 | W | 95.6 | Very high | 79.4 | Confident | 28 Ų | 28 | 72.8 Ų | 72.8 | 11% | 0.106 | 44% | 0.439 | C | S | . | . | G | 310 helix | trans | 59.6 | 24.9 | -177.2 | -55.5 | 91.9 | 0 | 0 | 0 | 114.5 | L295 E303 M314 L341 L344 R345 S347 R351 | L295-W349 HydrophobicContact CB-CH2 4.41Å; L295-W349 HydrophobicContact CB-CZ3 4.5Å; L295-W349 HydrophobicContact CD2-CH2 4.31Å; L295-W349 WeakPolarHBondContact O-CZ3 3.07Å; E303-W349 PolarHBondContact OE2-NE1 3.44Å; M314-W349 HydrophobicContact CE-CZ2 3.87Å; M314-W349 HydrophobicContact CG-CZ2 4.47Å; M314-W349 HydrophobicContact SD-CH2 4.44Å; M314-W349 HydrophobicContact SD-CZ2 3.94Å; L341-W349 HydrophobicContact CD1-CZ3 4.09Å; L344-W349 HydrophobicContact CD2-CE3 3.86Å; L344-W349 HydrophobicContact CD2-CZ3 4.2Å; L344-W349 HydrophobicContact CG-CE3 3.95Å; L344-W349 VanDerWaalsContact O-CA 3.24Å; L344-W349 WeakPolarHBondContact O-CA 3.44Å; L344-W349 PolarHBondContact O-N 3.24Å; R345-W349 HydrophobicContact CB-CH2 4.37Å; R345-W349 HydrophobicContact CB-CZ2 4.01Å; R345-W349 HydrophobicContact CG-CZ2 3.88Å; S347-W349 PolarHBondContact O-N 3.39Å; W349-R351 VanDerWaalsContact C-N 3.29Å |
| 350 | G | 89.8 | Confident | 77.1 | Confident | 53 Ų | 53 | 72 Ų | 72 | 55% | 0.546 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | 78.4 | 10 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | S347 N348 V352 | S347-G350 PolarHBondContact O-N 2.66Å; N348-G350 PolarHBondContact O-N 3.04Å; G350-V352 PolarHBondContact O-N 2.78Å |
| 351 | R | 90.4 | Very high | 75.1 | Confident | 85 Ų | 85 | 68 Ų | 68 | 32% | 0.321 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 117.4 | 175.9 | -63.1 | -175.4 | -72 | -167.9 | 2.7 | 109.9 | D304 N348 W349 | D304-R351 IonicContact OD1-CZ 3.01Å; D304-R351 IonicContact OD1-NH1 3.81Å; D304-R351 PolarHBondContact OD1-NH1 2.92Å; D304-R351 IonicContact OD1-NH2 3.83Å; D304-R351 PolarHBondContact OD1-NH2 3.39Å; D304-R351 IonicContact OD2-CZ 3.27Å; D304-R351 IonicContact OD2-NH1 3.31Å; D304-R351 PolarHBondContact OD2-NH1 2.92Å; D304-R351 IonicContact OD2-NH2 2.71Å; N348-R351 WeakPolarHBondContact O-CB 3.33Å; N348-R351 WeakPolarHBondContact O-CG 3.48Å; N348-R351 PolarHBondContact O-N 2.96Å; N348-R351 PolarHBondContact O-NE 2.94Å; N348-R351 PolarHBondContact OD1-NH2 2.71Å; N348-R351 VanDerWaalsContact OD1-NH2 3.13Å; W349-R351 VanDerWaalsContact C-N 3.29Å |
| 352 | V | 74.8 | Confident | 73.1 | Confident | 125 Ų | 125 | 70.8 Ų | 70.8 | 76% | 0.758 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -74.6 | 128.2 | 169.7 | -173.8 | 0 | 0 | 0 | 0 | 108.1 | G350 A354 | G350-V352 PolarHBondContact O-N 2.78Å; V352-A354 PolarHBondContact O-N 2.9Å |
| 353 | H | 55.9 | Low | 71.1 | Confident | 132 Ų | 132 | 76.8 Ų | 76.8 | 61% | 0.611 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 122.7 | 174 | -76.6 | -73.9 | 0 | 0 | 0 | 109.5 | A355 A356 | H353-A355 PolarHBondContact O-N 3.38Å; H353-A356 PolarHBondContact O-N 3.06Å |
| 354 | A | 52.3 | Low | 69.3 | Low | 81 Ų | 81 | 78.4 Ų | 78.4 | 67% | 0.669 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -56 | -20.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | V352 A356 A357 A358 | V352-A354 PolarHBondContact O-N 2.9Å; A354-A356 VanDerWaalsContact C-N 3.25Å; A354-A356 PolarHBondContact O-N 3.15Å; A354-A357 PolarHBondContact O-N 3.16Å; A354-A357 VanDerWaalsContact O-N 3.12Å; A354-A358 PolarHBondContact O-N 3.3Å |
| 355 | A | 51.3 | Low | 67.5 | Low | 69 Ų | 69 | 79 Ų | 79 | 57% | 0.57 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.7 | -34.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | H353 A357 A358 D359 | H353-A355 PolarHBondContact O-N 3.38Å; A355-A357 VanDerWaalsContact C-N 3.34Å; A355-A358 PolarHBondContact O-N 2.93Å; A355-D359 PolarHBondContact O-N 3.3Å |
| 356 | A | 49.8 | Very low | 65.8 | Low | 66 Ų | 66 | 83 Ų | 83 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -74.9 | -23.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | H353 A354 | H353-A356 PolarHBondContact O-N 3.06Å; A354-A356 VanDerWaalsContact C-N 3.25Å; A354-A356 PolarHBondContact O-N 3.15Å |
| 357 | A | 48.8 | Very low | 64.2 | Low | 70 Ų | 70 | 82.7 Ų | 82.7 | 58% | 0.579 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -83.2 | -29.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | A354 A355 D359 A360 | A354-A357 PolarHBondContact O-N 3.16Å; A354-A357 VanDerWaalsContact O-N 3.12Å; A355-A357 VanDerWaalsContact C-N 3.34Å; A357-D359 VanDerWaalsContact C-N 3.34Å; A357-A360 PolarHBondContact O-N 3.19Å |
| 358 | A | 50.2 | Low | 62.7 | Low | 69 Ų | 69 | 83.4 Ų | 83.4 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -72.3 | -26.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A354 A355 A360 | A354-A358 PolarHBondContact O-N 3.3Å; A355-A358 PolarHBondContact O-N 2.93Å; A358-A360 VanDerWaalsContact C-N 3.34Å |
| 359 | D | 50.6 | Low | 61 | Low | 111 Ų | 111 | 87.5 Ų | 87.5 | 59% | 0.594 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -7.3 | 175.4 | -75.9 | -22.7 | 0 | 0 | 0 | 113.5 | A355 A357 T361 N364 | A355-D359 PolarHBondContact O-N 3.3Å; A357-D359 VanDerWaalsContact C-N 3.34Å; D359-T361 PolarHBondContact O-N 3.31Å; D359-T361 VanDerWaalsContact O-N 3.15Å; D359-N364 PolarHBondContact O-ND2 3.42Å |
| 360 | A | 49.1 | Very low | 59.3 | Low | 57 Ų | 57 | 93.2 Ų | 93.2 | 47% | 0.471 | 56% | 0.56 | S | S | . | * | trans | -86 | 59.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | A357 A358 | A357-A360 PolarHBondContact O-N 3.19Å; A358-A360 VanDerWaalsContact C-N 3.34Å | ||
| 361 | T | 54.6 | Low | 58 | Low | 64 Ų | 64 | 96.8 Ų | 96.8 | 39% | 0.393 | 57% | 0.566 | S | S | . | * | trans | -79.4 | 153.5 | 166.1 | 51.1 | 0 | 0 | 0 | 0 | 109.9 | D359 D363 N364 D365 | D359-T361 PolarHBondContact O-N 3.31Å; D359-T361 VanDerWaalsContact O-N 3.15Å; T361-D363 PolarHBondContact O-N 3.43Å; T361-N364 PolarHBondContact O-N 3.33Å; T361-D365 PolarHBondContact O-N 2.9Å | ||
| 362 | P | 55.7 | Low | 56.8 | Low | 63 Ų | 63 | 95.1 Ų | 95.1 | 41% | 0.409 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -48.7 | -33 | 176.5 | -26.4 | 32.4 | 0 | 0 | 0 | 113.9 | N364 Y368 | P362-N364 VanDerWaalsContact C-N 3.27Å; P362-N364 PolarHBondContact O-N 3.47Å; P362-Y368 HydrophobicContact CB-CD1 3.75Å; P362-Y368 HydrophobicContact CB-CD2 4.28Å; P362-Y368 HydrophobicContact CB-CE1 3.63Å; P362-Y368 HydrophobicContact CB-CE2 4.16Å; P362-Y368 HydrophobicContact CB-CG 4.1Å; P362-Y368 HydrophobicContact CG-CD1 4.42Å; P362-Y368 HydrophobicContact CG-CD2 4.39Å; P362-Y368 HydrophobicContact CG-CE1 3.89Å; P362-Y368 HydrophobicContact CG-CE2 3.85Å |
| 363 | D | 54.9 | Low | 56.5 | Low | 159 Ų | 159 | 93.3 Ų | 93.3 | 85% | 0.85 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -13.6 | -179.4 | -69 | -37.7 | 0 | 0 | 0 | 114.7 | T361 | T361-D363 PolarHBondContact O-N 3.43Š|
| 364 | N | 58.2 | Low | 57.5 | Low | 115 Ų | 115 | 90.3 Ų | 90.3 | 62% | 0.615 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.8 | -8.3 | -165.6 | -148.5 | 43.1 | 0 | 0 | 0 | 114.3 | D359 T361 P362 | D359-N364 PolarHBondContact O-ND2 3.42Å; T361-N364 PolarHBondContact O-N 3.33Å; P362-N364 VanDerWaalsContact C-N 3.27Å; P362-N364 PolarHBondContact O-N 3.47Å |
| 365 | D | 57.9 | Low | 58.8 | Low | 64 Ų | 64 | 89 Ų | 89 | 34% | 0.342 | 52% | 0.523 | S | S | . | . | trans | -107.1 | 111.6 | 172.7 | -173.9 | -5.7 | 0 | 0 | 0 | 110.8 | T361 N367 Y368 | T361-D365 PolarHBondContact O-N 2.9Å; D365-N367 PolarHBondContact O-N 2.99Å; D365-N367 WeakPolarHBondContact OD1-CB 3.34Å; D365-N367 PolarHBondContact OD1-N 2.95Å; D365-Y368 WeakPolarHBondContact O-CB 3.42Å; D365-Y368 PolarHBondContact O-N 3Å | ||
| 366 | P | 60.3 | Low | 60.3 | Low | 122 Ų | 122 | 92.6 Ų | 92.6 | 79% | 0.792 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -12.6 | 177.7 | 26.2 | -33.5 | 0 | 0 | 0 | 113.7 | ||
| 367 | N | 60 | Low | 61.6 | Low | 92 Ų | 92 | 90.7 Ų | 90.7 | 49% | 0.492 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 1 | 176.5 | -104.3 | 17.5 | 0 | 0 | 0 | 113.9 | D365 F369 M370 | D365-N367 PolarHBondContact O-N 2.99Å; D365-N367 WeakPolarHBondContact OD1-CB 3.34Å; D365-N367 PolarHBondContact OD1-N 2.95Å; N367-F369 VanDerWaalsContact C-N 3.32Å; N367-F369 PolarHBondContact O-N 3.15Å; N367-M370 WeakPolarHBondContact O-CB 3.2Å; N367-M370 PolarHBondContact O-N 2.9Å |
| 368 | Y | 63.1 | Low | 62.8 | Low | 88 Ų | 88 | 91.2 Ų | 91.2 | 35% | 0.345 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | -57.4 | -45.8 | 179.5 | -174.3 | -92.9 | 0 | 0 | 0 | 111.7 | P362 D365 M370 N371 E372 | P362-Y368 HydrophobicContact CB-CD1 3.75Å; P362-Y368 HydrophobicContact CB-CD2 4.28Å; P362-Y368 HydrophobicContact CB-CE1 3.63Å; P362-Y368 HydrophobicContact CB-CE2 4.16Å; P362-Y368 HydrophobicContact CB-CG 4.1Å; P362-Y368 HydrophobicContact CG-CD1 4.42Å; P362-Y368 HydrophobicContact CG-CD2 4.39Å; P362-Y368 HydrophobicContact CG-CE1 3.89Å; P362-Y368 HydrophobicContact CG-CE2 3.85Å; D365-Y368 WeakPolarHBondContact O-CB 3.42Å; D365-Y368 PolarHBondContact O-N 3Å; Y368-M370 PolarHBondContact O-N 3.12Å; Y368-N371 PolarHBondContact O-N 3.31Å; Y368-E372 HydrophobicContact CE1-CG 4.41Å; Y368-E372 WeakPolarHBondContact CE1-OE1 2.87Å |
| 369 | F | 57.2 | Low | 64.1 | Low | 124 Ų | 124 | 95.1 Ų | 95.1 | 54% | 0.544 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | -63.5 | -20.4 | 176.1 | -82.6 | -82.8 | 0 | 0 | 0 | 114.5 | N367 A386 | N367-F369 VanDerWaalsContact C-N 3.32Å; N367-F369 PolarHBondContact O-N 3.15Å; F369-A386 HydrophobicContact CD1-CB 4.02Å; F369-A386 HydrophobicContact CE1-CB 4.07Å |
| 370 | M | 60.4 | Low | 65.3 | Low | 149 Ų | 149 | 92.1 Ų | 92.1 | 73% | 0.734 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -84.5 | -13.3 | -177.9 | -68.1 | -70.5 | 177.2 | 0 | 0 | 113.1 | N367 Y368 | N367-M370 WeakPolarHBondContact O-CB 3.2Å; N367-M370 PolarHBondContact O-N 2.9Å; Y368-M370 PolarHBondContact O-N 3.12Å |
| 371 | N | 62.3 | Low | 66.9 | Low | 127 Ų | 127 | 92.9 Ų | 92.9 | 68% | 0.679 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -110 | 2.2 | -174.7 | -65.6 | -22.6 | 0 | 0 | 0 | 113.3 | Y368 | Y368-N371 PolarHBondContact O-N 3.31Š|
| 372 | E | 65.4 | Low | 68.2 | Low | 50 Ų | 50 | 93.3 Ų | 93.3 | 23% | 0.234 | 52% | 0.518 | C | S | . | . | S | Bend | trans | -79.3 | 139.8 | 177.5 | -75.6 | -173.3 | 155.5 | 0 | 0 | 111.8 | Y368 T374 A385 | Y368-E372 HydrophobicContact CE1-CG 4.41Å; Y368-E372 WeakPolarHBondContact CE1-OE1 2.87Å; E372-T374 PolarHBondContact O-N 3.4Å; E372-A385 WeakPolarHBondContact OE2-CB 3.37Å |
| 373 | P | 68.1 | Low | 69.4 | Low | 87 Ų | 87 | 90.3 Ų | 90.3 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 135.8 | 173.8 | -19.6 | 31 | 0 | 0 | 0 | 111.1 | F375 | P373-F375 HydrophobicContact CB-CD2 4.49Å; P373-F375 HydrophobicContact CB-CE2 3.88Å; P373-F375 HydrophobicContact CB-CZ 4.07Å; P373-F375 HydrophobicContact CG-CE2 4.42Å; P373-F375 HydrophobicContact CG-CZ 4.47Å; P373-F375 VanDerWaalsContact O-CD2 3.32Å; P373-F375 WeakPolarHBondContact O-CD2 3.48Å; P373-F375 WeakPolarHBondContact O-CE2 3.38Å |
| 374 | T | 77.5 | Confident | 70.6 | Confident | 69 Ų | 69 | 84.9 Ų | 84.9 | 42% | 0.423 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -81.1 | 120.1 | 167.5 | -56.1 | 0 | 0 | 0 | 0 | 108.8 | E372 P382 T384 | E372-T374 PolarHBondContact O-N 3.4Å; T374-P382 HydrophobicContact CG2-CB 3.48Å; T374-P382 VanDerWaalsContact CG2-CB 3.48Å; T374-T384 HydrophobicContact CG2-CG2 4.05Å |
| 375 | F | 79.6 | Confident | 71.4 | Confident | 55 Ų | 55 | 80.9 Ų | 80.9 | 24% | 0.241 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 158.8 | 176.1 | -68.2 | -87.8 | 0 | 0 | 0 | 110 | P373 P382 F383 Y390 Y394 | P373-F375 HydrophobicContact CB-CD2 4.49Å; P373-F375 HydrophobicContact CB-CE2 3.88Å; P373-F375 HydrophobicContact CB-CZ 4.07Å; P373-F375 HydrophobicContact CG-CE2 4.42Å; P373-F375 HydrophobicContact CG-CZ 4.47Å; P373-F375 VanDerWaalsContact O-CD2 3.32Å; P373-F375 WeakPolarHBondContact O-CD2 3.48Å; P373-F375 WeakPolarHBondContact O-CE2 3.38Å; F375-P382 CarbonylContact O-C 3.47Å; F375-P382 VanDerWaalsContact O-CA 3.26Å; F375-P382 WeakPolarHBondContact O-CA 3.37Å; F375-F383 HydrophobicContact CB-CD1 4.03Å; F375-F383 HydrophobicContact CB-CE1 3.45Å; F375-F383 VanDerWaalsContact CB-CE1 3.45Å; F375-F383 HydrophobicContact CB-CE2 4.1Å; F375-F383 HydrophobicContact CB-CZ 3.49Å; F375-F383 VanDerWaalsContact CB-CZ 3.49Å; F375-F383 HydrophobicContact CG-CZ 4.4Å; F375-F383 PolarHBondContact N-O 3.27Å; F375-F383 WeakPolarHBondContact O-CD1 3.46Å; F375-F383 PolarHBondContact O-N 3.03Å; F375-Y390 AromaticContact CD2-CE2 3.89Å; F375-Y390 HydrophobicContact CD2-CE2 3.89Å; F375-Y390 HydrophobicContact CE2-CE2 4.34Å; F375-Y390 WeakPolarHBondContact CE2-OH 3.34Å; F375-Y394 HydrophobicContact CD1-CE2 4.42Å; F375-Y394 HydrophobicContact CE1-CD2 4.43Å; F375-Y394 AromaticContact CE1-CE2 3.89Å; F375-Y394 HydrophobicContact CE1-CE2 3.89Å; F375-Y394 HydrophobicContact CE2-CD2 4.43Å; F375-Y394 HydrophobicContact CE2-CE2 4.19Å; F375-Y394 HydrophobicContact CZ-CD2 4.37Å; F375-Y394 AromaticContact CZ-CE2 3.76Å; F375-Y394 HydrophobicContact CZ-CE2 3.76Å |
| 376 | Y | 82.7 | Confident | 72.1 | Confident | 144 Ų | 144 | 81 Ų | 81 | 57% | 0.565 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 135.4 | 179 | -66.3 | -94 | 0 | 0 | 0 | 109.2 | T381 P382 | Y376-T381 WeakPolarHBondContact CA-O 3.5Å; Y376-P382 HydrophobicContact CD1-CB 4.03Å; Y376-P382 HydrophobicContact CE1-CB 3.74Å; Y376-P382 HydrophobicContact CE1-CG 4.29Å |
| 377 | T | 78 | Confident | 73.1 | Confident | 26 Ų | 26 | 78 Ų | 78 | 16% | 0.16 | 44% | 0.441 | C | S | . | . | trans | -67.7 | 168.4 | 169.3 | 62.5 | 0 | 0 | 0 | 0 | 110.5 | D379 G380 T381 F383 K393 | T377-D379 PolarHBondContact O-N 3.12Å; T377-D379 VanDerWaalsContact O-N 3.12Å; T377-G380 WeakPolarHBondContact O-CA 3.32Å; T377-G380 PolarHBondContact O-N 3.05Å; T377-T381 PolarHBondContact N-O 3.12Å; T377-T381 WeakPolarHBondContact OG1-CB 3.35Å; T377-T381 PolarHBondContact OG1-N 3.06Å; T377-T381 PolarHBondContact OG1-O 3.37Å; T377-F383 HydrophobicContact CG2-CD1 3.79Å; T377-F383 HydrophobicContact CG2-CE1 4.07Å; T377-K393 HydrophobicContact CG2-CD 3.71Å; T377-K393 HydrophobicContact CG2-CG 4.28Å | ||
| 378 | A | 72.9 | Confident | 74 | Confident | 80 Ų | 80 | 78.9 Ų | 78.9 | 66% | 0.661 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -29 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | G380 | A378-G380 PolarHBondContact O-N 2.87Š|
| 379 | D | 78.3 | Confident | 74.6 | Confident | 152 Ų | 152 | 79 Ų | 79 | 81% | 0.813 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | 6.3 | 175.2 | -60.7 | -42.5 | 0 | 0 | 0 | 113.7 | T377 T381 | T377-D379 PolarHBondContact O-N 3.12Å; T377-D379 VanDerWaalsContact O-N 3.12Å; D379-T381 VanDerWaalsContact C-N 3.35Å; D379-T381 PolarHBondContact O-N 3.38Å |
| 380 | G | 75.9 | Confident | 75.8 | Confident | 47 Ų | 47 | 75.4 Ų | 75.4 | 49% | 0.485 | 44% | 0.439 | S | S | . | . | trans | 74.9 | 18.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | T377 A378 | T377-G380 WeakPolarHBondContact O-CA 3.32Å; T377-G380 PolarHBondContact O-N 3.05Å; A378-G380 PolarHBondContact O-N 2.87Å | ||
| 381 | T | 82.3 | Confident | 76.5 | Confident | 73 Ų | 73 | 72.5 Ų | 72.5 | 45% | 0.448 | 43% | 0.433 | S | S | . | . | trans | -86.4 | 122.1 | 178 | -55.9 | 0 | 0 | 0 | 0 | 109.9 | Y376 T377 D379 | Y376-T381 WeakPolarHBondContact CA-O 3.5Å; T377-T381 PolarHBondContact N-O 3.12Å; T377-T381 WeakPolarHBondContact OG1-CB 3.35Å; T377-T381 PolarHBondContact OG1-N 3.06Å; T377-T381 PolarHBondContact OG1-O 3.37Å; D379-T381 VanDerWaalsContact C-N 3.35Å; D379-T381 PolarHBondContact O-N 3.38Å | ||
| 382 | P | 81.1 | Confident | 77.4 | Confident | 73 Ų | 73 | 73.3 Ų | 73.3 | 47% | 0.474 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 138.8 | 177.4 | 26.8 | -32.3 | 0 | 0 | 0 | 110.6 | T374 F375 Y376 | T374-P382 HydrophobicContact CG2-CB 3.48Å; T374-P382 VanDerWaalsContact CG2-CB 3.48Å; F375-P382 CarbonylContact O-C 3.47Å; F375-P382 VanDerWaalsContact O-CA 3.26Å; F375-P382 WeakPolarHBondContact O-CA 3.37Å; Y376-P382 HydrophobicContact CD1-CB 4.03Å; Y376-P382 HydrophobicContact CE1-CB 3.74Å; Y376-P382 HydrophobicContact CE1-CG 4.29Å |
| 383 | F | 80.5 | Confident | 78.1 | Confident | 1 Ų | 1 | 73.7 Ų | 73.7 | 0% | 0.004 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 152.3 | 171 | 73.5 | -78.6 | 0 | 0 | 0 | 110.2 | F375 T377 D387 Y390 K393 I397 | F375-F383 HydrophobicContact CB-CD1 4.03Å; F375-F383 HydrophobicContact CB-CE1 3.45Å; F375-F383 VanDerWaalsContact CB-CE1 3.45Å; F375-F383 HydrophobicContact CB-CE2 4.1Å; F375-F383 HydrophobicContact CB-CZ 3.49Å; F375-F383 VanDerWaalsContact CB-CZ 3.49Å; F375-F383 HydrophobicContact CG-CZ 4.4Å; F375-F383 PolarHBondContact N-O 3.27Å; F375-F383 WeakPolarHBondContact O-CD1 3.46Å; F375-F383 PolarHBondContact O-N 3.03Å; T377-F383 HydrophobicContact CG2-CD1 3.79Å; T377-F383 HydrophobicContact CG2-CE1 4.07Å; F383-D387 WeakPolarHBondContact CA-OD2 3.27Å; F383-Y390 AromaticContact CD2-CD2 3.5Å; F383-Y390 HydrophobicContact CD2-CD2 3.5Å; F383-Y390 VanDerWaalsContact CD2-CD2 3.5Å; F383-Y390 HydrophobicContact CD2-CE2 4.18Å; F383-Y390 HydrophobicContact CD2-CG 4.29Å; F383-Y390 AromaticContact CE2-CD2 3.55Å; F383-Y390 HydrophobicContact CE2-CD2 3.55Å; F383-Y390 AromaticContact CE2-CE2 3.92Å; F383-Y390 HydrophobicContact CE2-CE2 3.92Å; F383-Y390 HydrophobicContact CE2-CG 4.27Å; F383-K393 HydrophobicContact CB-CD 4.21Å; F383-K393 HydrophobicContact CD1-CB 4.47Å; F383-K393 HydrophobicContact CD1-CD 4.11Å; F383-K393 HydrophobicContact CD2-CB 3.94Å; F383-K393 HydrophobicContact CD2-CD 3.92Å; F383-K393 HydrophobicContact CE1-CB 4.06Å; F383-K393 HydrophobicContact CE1-CD 4.48Å; F383-K393 HydrophobicContact CE2-CB 3.49Å; F383-K393 VanDerWaalsContact CE2-CB 3.49Å; F383-K393 HydrophobicContact CE2-CD 4.33Å; F383-K393 HydrophobicContact CG-CB 4.42Å; F383-K393 HydrophobicContact CG-CD 3.82Å; F383-K393 HydrophobicContact CZ-CB 3.55Å; F383-I397 HydrophobicContact CE1-CD1 3.99Å; F383-I397 HydrophobicContact CZ-CD1 3.78Å |
| 384 | T | 81.1 | Confident | 78.6 | Confident | 44 Ų | 44 | 73.6 Ų | 73.6 | 27% | 0.27 | 42% | 0.423 | S | S | . | . | trans | -136.1 | 166.3 | -172.8 | 61.7 | 0 | 0 | 0 | 0 | 109.5 | T374 A386 D387 Y390 | T374-T384 HydrophobicContact CG2-CG2 4.05Å; T384-A386 PolarHBondContact O-N 3.19Å; T384-D387 PolarHBondContact N-OD2 3.23Å; T384-D387 WeakPolarHBondContact O-CB 3.31Å; T384-D387 PolarHBondContact O-N 3.19Å; T384-D387 PolarHBondContact OG1-OD2 3.17Å; T384-Y390 WeakPolarHBondContact O-CB 3.49Å; T384-Y390 VanDerWaalsContact O-CD2 3.27Å; T384-Y390 WeakPolarHBondContact O-CD2 3.49Å | ||
| 385 | A | 75.3 | Confident | 78.7 | Confident | 31 Ų | 31 | 75 Ų | 75 | 26% | 0.256 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | E372 D387 Y390 | E372-A385 WeakPolarHBondContact OE2-CB 3.37Å; A385-D387 VanDerWaalsContact C-N 3.27Å; A385-Y390 HydrophobicContact CB-CD1 3.98Å; A385-Y390 HydrophobicContact CB-CD2 4.19Å; A385-Y390 HydrophobicContact CB-CE1 4.06Å; A385-Y390 HydrophobicContact CB-CE2 4.25Å; A385-Y390 HydrophobicContact CB-CG 4.06Å |
| 386 | A | 72.5 | Confident | 78.8 | Confident | 67 Ų | 67 | 78.3 Ų | 78.3 | 55% | 0.554 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -15.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113 | F369 T384 | F369-A386 HydrophobicContact CD1-CB 4.02Å; F369-A386 HydrophobicContact CE1-CB 4.07Å; T384-A386 PolarHBondContact O-N 3.19Å |
| 387 | D | 80.3 | Confident | 78.6 | Confident | 59 Ų | 59 | 73 Ų | 73 | 32% | 0.316 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -83.3 | 133.2 | -179.3 | -63.4 | -53.6 | 0 | 0 | 0 | 111.1 | F383 T384 A385 E389 Y390 | F383-D387 WeakPolarHBondContact CA-OD2 3.27Å; T384-D387 PolarHBondContact N-OD2 3.23Å; T384-D387 WeakPolarHBondContact O-CB 3.31Å; T384-D387 PolarHBondContact O-N 3.19Å; T384-D387 PolarHBondContact OG1-OD2 3.17Å; A385-D387 VanDerWaalsContact C-N 3.27Å; D387-E389 PolarHBondContact O-N 3.29Å; D387-E389 VanDerWaalsContact O-N 3.1Å; D387-Y390 VanDerWaalsContact O-CB 3.31Å; D387-Y390 WeakPolarHBondContact O-CB 3.22Å; D387-Y390 PolarHBondContact O-N 3.27Å |
| 388 | P | 78.8 | Confident | 78.5 | Confident | 111 Ų | 111 | 74.5 Ų | 74.5 | 72% | 0.721 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -27.3 | -179.4 | -23.4 | 32.7 | 0 | 0 | 0 | 114 | ||
| 389 | E | 77 | Confident | 78.7 | Confident | 90 Ų | 90 | 74.7 Ų | 74.7 | 42% | 0.421 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 8.6 | -178.5 | -53.5 | 78.8 | -163.7 | 0 | 0 | 113.4 | D387 S391 E392 K393 | D387-E389 PolarHBondContact O-N 3.29Å; D387-E389 VanDerWaalsContact O-N 3.1Å; E389-S391 PolarHBondContact O-N 3.1Å; E389-E392 PolarHBondContact O-N 3.36Å; E389-K393 HydrophobicContact CB-CD 4.45Å; E389-K393 WeakPolarHBondContact O-CG 3.42Å; E389-K393 PolarHBondContact O-N 3.42Å; E389-K393 VanDerWaalsContact O-N 3.09Å |
| 390 | Y | 81.1 | Confident | 78.4 | Confident | 48 Ų | 48 | 74.6 Ų | 74.6 | 19% | 0.188 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -55.9 | -47.2 | -176.7 | 176.3 | -95.5 | 0 | 0 | 0 | 113 | F375 F383 T384 A385 D387 E392 K393 Y394 | F375-Y390 AromaticContact CD2-CE2 3.89Å; F375-Y390 HydrophobicContact CD2-CE2 3.89Å; F375-Y390 HydrophobicContact CE2-CE2 4.34Å; F375-Y390 WeakPolarHBondContact CE2-OH 3.34Å; F383-Y390 AromaticContact CD2-CD2 3.5Å; F383-Y390 HydrophobicContact CD2-CD2 3.5Å; F383-Y390 VanDerWaalsContact CD2-CD2 3.5Å; F383-Y390 HydrophobicContact CD2-CE2 4.18Å; F383-Y390 HydrophobicContact CD2-CG 4.29Å; F383-Y390 AromaticContact CE2-CD2 3.55Å; F383-Y390 HydrophobicContact CE2-CD2 3.55Å; F383-Y390 AromaticContact CE2-CE2 3.92Å; F383-Y390 HydrophobicContact CE2-CE2 3.92Å; F383-Y390 HydrophobicContact CE2-CG 4.27Å; T384-Y390 WeakPolarHBondContact O-CB 3.49Å; T384-Y390 VanDerWaalsContact O-CD2 3.27Å; T384-Y390 WeakPolarHBondContact O-CD2 3.49Å; A385-Y390 HydrophobicContact CB-CD1 3.98Å; A385-Y390 HydrophobicContact CB-CD2 4.19Å; A385-Y390 HydrophobicContact CB-CE1 4.06Å; A385-Y390 HydrophobicContact CB-CE2 4.25Å; A385-Y390 HydrophobicContact CB-CG 4.06Å; D387-Y390 VanDerWaalsContact O-CB 3.31Å; D387-Y390 WeakPolarHBondContact O-CB 3.22Å; D387-Y390 PolarHBondContact O-N 3.27Å; Y390-E392 VanDerWaalsContact C-N 3.3Å; Y390-E392 PolarHBondContact O-N 3.1Å; Y390-K393 PolarHBondContact O-N 3.09Å; Y390-Y394 HydrophobicContact CE1-CG 4.5Å; Y390-Y394 VanDerWaalsContact O-CB 3.22Å; Y390-Y394 WeakPolarHBondContact O-CB 3.39Å; Y390-Y394 PolarHBondContact O-N 3.29Å |
| 391 | S | 76.1 | Confident | 77.8 | Confident | 88 Ų | 88 | 78.2 Ų | 78.2 | 62% | 0.615 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -63.3 | -37.3 | -176.9 | 55.8 | 0 | 0 | 0 | 0 | 112.7 | E389 Q395 | E389-S391 PolarHBondContact O-N 3.1Å; S391-Q395 WeakPolarHBondContact O-CB 3.26Å; S391-Q395 PolarHBondContact O-N 3.3Å; S391-Q395 VanDerWaalsContact O-N 3.12Å |
| 392 | E | 81.3 | Confident | 76.7 | Confident | 145 Ų | 145 | 80.1 Ų | 80.1 | 68% | 0.678 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -72.2 | -45.8 | -179.4 | -171.5 | 172 | -160.5 | 0 | 0 | 110.7 | E389 Y390 Y394 Q395 E396 | E389-E392 PolarHBondContact O-N 3.36Å; Y390-E392 VanDerWaalsContact C-N 3.3Å; Y390-E392 PolarHBondContact O-N 3.1Å; E392-Y394 PolarHBondContact O-N 2.89Å; E392-Q395 PolarHBondContact O-N 3Å; E392-E396 PolarHBondContact O-N 3.04Å |
| 393 | K | 79.8 | Confident | 75.5 | Confident | 57 Ų | 57 | 83.4 Ų | 83.4 | 25% | 0.248 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -66.5 | -34.9 | 176.9 | -70.7 | 174.6 | 175 | 176.6 | 0 | 113.2 | T377 F383 E389 Y390 I397 | T377-K393 HydrophobicContact CG2-CD 3.71Å; T377-K393 HydrophobicContact CG2-CG 4.28Å; F383-K393 HydrophobicContact CB-CD 4.21Å; F383-K393 HydrophobicContact CD1-CB 4.47Å; F383-K393 HydrophobicContact CD1-CD 4.11Å; F383-K393 HydrophobicContact CD2-CB 3.94Å; F383-K393 HydrophobicContact CD2-CD 3.92Å; F383-K393 HydrophobicContact CE1-CB 4.06Å; F383-K393 HydrophobicContact CE1-CD 4.48Å; F383-K393 HydrophobicContact CE2-CB 3.49Å; F383-K393 VanDerWaalsContact CE2-CB 3.49Å; F383-K393 HydrophobicContact CE2-CD 4.33Å; F383-K393 HydrophobicContact CG-CB 4.42Å; F383-K393 HydrophobicContact CG-CD 3.82Å; F383-K393 HydrophobicContact CZ-CB 3.55Å; E389-K393 HydrophobicContact CB-CD 4.45Å; E389-K393 WeakPolarHBondContact O-CG 3.42Å; E389-K393 PolarHBondContact O-N 3.42Å; E389-K393 VanDerWaalsContact O-N 3.09Å; Y390-K393 PolarHBondContact O-N 3.09Å; K393-I397 WeakPolarHBondContact O-CG1 3.41Å; K393-I397 PolarHBondContact O-N 3.35Å |
| 394 | Y | 79.4 | Confident | 74.2 | Confident | 85 Ų | 85 | 92.8 Ų | 92.8 | 33% | 0.333 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.8 | -40.3 | 176.6 | -171.3 | -100.2 | 0 | 0 | 0 | 111.3 | F375 Y390 E392 E396 I397 L398 | F375-Y394 HydrophobicContact CD1-CE2 4.42Å; F375-Y394 HydrophobicContact CE1-CD2 4.43Å; F375-Y394 AromaticContact CE1-CE2 3.89Å; F375-Y394 HydrophobicContact CE1-CE2 3.89Å; F375-Y394 HydrophobicContact CE2-CD2 4.43Å; F375-Y394 HydrophobicContact CE2-CE2 4.19Å; F375-Y394 HydrophobicContact CZ-CD2 4.37Å; F375-Y394 AromaticContact CZ-CE2 3.76Å; F375-Y394 HydrophobicContact CZ-CE2 3.76Å; Y390-Y394 HydrophobicContact CE1-CG 4.5Å; Y390-Y394 VanDerWaalsContact O-CB 3.22Å; Y390-Y394 WeakPolarHBondContact O-CB 3.39Å; Y390-Y394 PolarHBondContact O-N 3.29Å; E392-Y394 PolarHBondContact O-N 2.89Å; Y394-E396 VanDerWaalsContact C-N 3.35Å; Y394-I397 PolarHBondContact O-N 3.37Å; Y394-L398 HydrophobicContact CD1-CD1 4Å; Y394-L398 HydrophobicContact CD1-CG 4.49Å; Y394-L398 HydrophobicContact CE1-CD1 3.72Å; Y394-L398 HydrophobicContact CE1-CG 4.23Å; Y394-L398 PolarHBondContact O-N 3.29Å |
| 395 | Q | 79.3 | Confident | 72.5 | Confident | 98 Ų | 98 | 98.2 Ų | 98.2 | 46% | 0.458 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 174.5 | -166.4 | 65.3 | 42.6 | 0 | 0 | 111.6 | S391 E392 I397 L398 D399 | S391-Q395 WeakPolarHBondContact O-CB 3.26Å; S391-Q395 PolarHBondContact O-N 3.3Å; S391-Q395 VanDerWaalsContact O-N 3.12Å; E392-Q395 PolarHBondContact O-N 3Å; Q395-I397 PolarHBondContact O-N 3.48Å; Q395-L398 PolarHBondContact O-N 3.44Å; Q395-L398 VanDerWaalsContact O-N 3.17Å; Q395-D399 PolarHBondContact NE2-OD1 2.87Å; Q395-D399 WeakPolarHBondContact O-CB 3.37Å; Q395-D399 PolarHBondContact O-N 2.93Å |
| 396 | E | 80.6 | Confident | 71.2 | Confident | 125 Ų | 125 | 101.7 Ų | 101.7 | 58% | 0.584 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.4 | -32.3 | 175.2 | -172.3 | -177.3 | -175.3 | 0 | 0 | 113 | E392 Y394 R400 | E392-E396 PolarHBondContact O-N 3.04Å; Y394-E396 VanDerWaalsContact C-N 3.35Å; E396-R400 WeakPolarHBondContact O-CB 3.44Å; E396-R400 PolarHBondContact O-N 3.02Å |
| 397 | I | 79.7 | Confident | 70.1 | Confident | 32 Ų | 32 | 107.8 Ų | 107.8 | 16% | 0.164 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -69.9 | -45.6 | 174.7 | -67.7 | 168.2 | 0 | 0 | 0 | 110.8 | F383 K393 Y394 Q395 R400 E401 | F383-I397 HydrophobicContact CE1-CD1 3.99Å; F383-I397 HydrophobicContact CZ-CD1 3.78Å; K393-I397 WeakPolarHBondContact O-CG1 3.41Å; K393-I397 PolarHBondContact O-N 3.35Å; Y394-I397 PolarHBondContact O-N 3.37Å; Q395-I397 PolarHBondContact O-N 3.48Å; I397-R400 PolarHBondContact O-N 2.97Å; I397-E401 PolarHBondContact O-N 3.39Å; I397-E401 VanDerWaalsContact O-N 3.1Å |
| 398 | L | 76.5 | Confident | 68.3 | Low | 59 Ų | 59 | 108.5 Ų | 108.5 | 31% | 0.309 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.6 | -48.6 | 178.4 | -69.4 | 173.6 | 0 | 0 | 0 | 111.5 | Y394 Q395 R400 E401 D402 | Y394-L398 HydrophobicContact CD1-CD1 4Å; Y394-L398 HydrophobicContact CD1-CG 4.49Å; Y394-L398 HydrophobicContact CE1-CD1 3.72Å; Y394-L398 HydrophobicContact CE1-CG 4.23Å; Y394-L398 PolarHBondContact O-N 3.29Å; Q395-L398 PolarHBondContact O-N 3.44Å; Q395-L398 VanDerWaalsContact O-N 3.17Å; L398-R400 PolarHBondContact O-N 2.87Å; L398-R400 VanDerWaalsContact O-N 3.12Å; L398-E401 PolarHBondContact O-N 3.08Å; L398-D402 PolarHBondContact O-N 3.08Å; L398-D402 VanDerWaalsContact O-N 3.15Å |
| 399 | D | 75.9 | Confident | 66.5 | Low | 84 Ų | 84 | 113.5 Ų | 113.5 | 45% | 0.449 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.6 | -25.4 | -179.5 | -63.7 | -7.6 | 0 | 0 | 0 | 111.7 | Q395 | Q395-D399 PolarHBondContact NE2-OD1 2.87Å; Q395-D399 WeakPolarHBondContact O-CB 3.37Å; Q395-D399 PolarHBondContact O-N 2.93Å |
| 400 | R | 72.9 | Confident | 64.7 | Low | 150 Ų | 150 | 118.1 Ų | 118.1 | 57% | 0.566 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -84 | -27.6 | 175.4 | -171.7 | 167.5 | 64.7 | 118.7 | 2.4 | 113.7 | E396 I397 L398 | E396-R400 WeakPolarHBondContact O-CB 3.44Å; E396-R400 PolarHBondContact O-N 3.02Å; I397-R400 PolarHBondContact O-N 2.97Å; L398-R400 PolarHBondContact O-N 2.87Å; L398-R400 VanDerWaalsContact O-N 3.12Å |
| 401 | E | 61.7 | Low | 62.7 | Low | 123 Ų | 123 | 124.1 Ų | 124.1 | 58% | 0.575 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -72.2 | -34.1 | 174.2 | -78.2 | -177 | 167.4 | 0 | 0 | 111.3 | I397 L398 D403 Y404 F405 | I397-E401 PolarHBondContact O-N 3.39Å; I397-E401 VanDerWaalsContact O-N 3.1Å; L398-E401 PolarHBondContact O-N 3.08Å; E401-D403 VanDerWaalsContact C-N 3.26Å; E401-D403 PolarHBondContact O-N 2.96Å; E401-Y404 PolarHBondContact O-N 3.13Å; E401-Y404 VanDerWaalsContact O-N 3.12Å; E401-F405 PolarHBondContact O-N 2.76Å |
| 402 | D | 59.4 | Low | 60.7 | Low | 112 Ų | 112 | 127.5 Ų | 127.5 | 60% | 0.599 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -28.7 | 175.8 | -73.5 | -17.5 | 0 | 0 | 0 | 113.1 | L398 Y404 | L398-D402 PolarHBondContact O-N 3.08Å; L398-D402 VanDerWaalsContact O-N 3.15Å; D402-Y404 VanDerWaalsContact C-N 3.35Å |
| 403 | D | 57.6 | Low | 58.9 | Low | 143 Ų | 143 | 124.3 Ų | 124.3 | 77% | 0.765 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -18.9 | 176.6 | -90.7 | -19.4 | 0 | 0 | 0 | 113.4 | E401 | E401-D403 VanDerWaalsContact C-N 3.26Å; E401-D403 PolarHBondContact O-N 2.96Å |
| 404 | Y | 53.2 | Low | 56.5 | Low | 197 Ų | 197 | 129.2 Ų | 129.2 | 77% | 0.773 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -18.8 | -178.1 | -120.4 | -96 | 0 | 0 | 0 | 113.5 | E401 D402 | E401-Y404 PolarHBondContact O-N 3.13Å; E401-Y404 VanDerWaalsContact O-N 3.12Å; D402-Y404 VanDerWaalsContact C-N 3.35Å |
| 405 | F | 45 | Very low | 54.9 | Low | 159 Ų | 159 | 133.7 Ų | 133.7 | 70% | 0.697 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -134.8 | 88 | 176.4 | -76.4 | -87.1 | 0 | 0 | 0 | 110.6 | E401 E407 | E401-F405 PolarHBondContact O-N 2.76Å; F405-E407 PolarHBondContact O-N 3.41Å |
| 406 | P | 47.7 | Very low | 53.1 | Low | 104 Ų | 104 | 134 Ų | 134 | 68% | 0.675 | 68% | 0.681 | S | S | * | * | trans | -59.2 | 124.8 | 168.9 | -18.8 | 30.8 | 0 | 0 | 0 | 109.4 | A408 | P406-A408 VanDerWaalsContact C-N 3.33Å; P406-A408 PolarHBondContact O-N 2.78Å | ||
| 407 | E | 48.3 | Very low | 51.3 | Low | 194 Ų | 194 | 131.8 Ų | 131.8 | 91% | 0.907 | 68% | 0.679 | S | S | * | * | trans | -53.6 | 91 | 172.7 | -69.7 | 178 | 145.9 | 0 | 0 | 110.7 | F405 | F405-E407 PolarHBondContact O-N 3.41Š| ||
| 408 | A | 43.8 | Very low | 49.4 | Very low | 75 Ų | 75 | 139.2 Ų | 139.2 | 62% | 0.62 | 71% | 0.71 | S | S | * | * | trans | -121.8 | 51.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110 | P406 | P406-A408 VanDerWaalsContact C-N 3.33Å; P406-A408 PolarHBondContact O-N 2.78Å | ||
| 409 | Y | 41 | Very low | 48.1 | Very low | 215 Ų | 215 | 143.6 Ų | 143.6 | 84% | 0.843 | 73% | 0.734 | S | S | * | * | trans | -139.5 | 54.5 | 171.2 | -53.3 | -79.4 | 0 | 0 | 0 | 111.4 | ||||
| 410 | E | 38.9 | Very low | 46.8 | Very low | 188 Ų | 188 | 147.3 Ų | 147.3 | 88% | 0.879 | 75% | 0.754 | S | S | * | * | trans | -100.2 | 112.6 | 150.4 | -76.1 | -168.8 | 165.4 | 0 | 0 | 109.1 | ||||
| 411 | E | 38.4 | Very low | 45.8 | Very low | 174 Ų | 174 | 149.2 Ų | 149.2 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 57.6 | 89.4 | 139.2 | -160.1 | 173.7 | -159.2 | 0 | 0 | 119 | ||
| 412 | N | 35 | Very low | 45.6 | Very low | 158 Ų | 158 | 151.8 Ų | 151.8 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | 178.1 | 137.4 | 120 | -104.6 | -39.3 | 0 | 0 | 0 | 112.3 | |||||
| 413 | G | 41.9 | Very low | 45.6 | Very low | 79 Ų | 79 | 155.3 Ų | 155.3 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | trans | -66.9 | 134.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 414 | N | 30.3 | Very low | 46 | Very low | 160 Ų | 160 | 153.9 Ų | 153.9 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -159.5 | 130.4 | 146.5 | -166.6 | 41.6 | 0 | 0 | 0 | 109.5 | ||||
| 415 | E | 46.6 | Very low | 47 | Very low | 178 Ų | 178 | 148.4 Ų | 148.4 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | -68.6 | 153 | 174.4 | -80.9 | -165.3 | 162 | 0 | 0 | 112.9 | ||||
| 416 | S | 41.9 | Very low | 48.4 | Very low | 105 Ų | 105 | 145.5 Ų | 145.5 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | 73.6 | 107.6 | 151.1 | -159.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 417 | S | 41.1 | Very low | 49.6 | Very low | 78 Ų | 78 | 147.8 Ų | 147.8 | 55% | 0.545 | 77% | 0.773 | S | S | . | * | 162.2 | 155.9 | 99.7 | -79.6 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 418 | F | 40 | Very low | 50.9 | Low | 188 Ų | 188 | 143.4 Ų | 143.4 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | trans | 88.7 | 92.7 | 163.3 | -48.9 | -69.5 | 0 | 0 | 0 | 114 | ||||
| 419 | N | 49.4 | Very low | 52.6 | Low | 151 Ų | 151 | 144.5 Ų | 144.5 | 81% | 0.807 | 75% | 0.747 | S | S | * | * | 37.7 | 94 | 75.5 | -75.6 | -10.6 | 0 | 0 | 0 | 111.5 | |||||
| 420 | D | 49.1 | Very low | 54.5 | Low | 162 Ų | 162 | 141.1 Ų | 141.1 | 87% | 0.866 | 74% | 0.739 | S | S | * | * | trans | 172.3 | 69 | 143.5 | -85.3 | -21 | 0 | 0 | 0 | 110 | ||||
| 421 | E | 52.6 | Low | 56.6 | Low | 190 Ų | 190 | 135 Ų | 135 | 89% | 0.888 | 72% | 0.721 | S | S | * | * | trans | -144.7 | 36 | 163.6 | -73.9 | -163.3 | 176.2 | 0 | 0 | 112.5 | E423 | E421-E423 VanDerWaalsContact C-N 3.26Š| ||
| 422 | D | 55.9 | Low | 58.7 | Low | 177 Ų | 177 | 132.7 Ų | 132.7 | 95% | 0.947 | 71% | 0.708 | S | S | * | * | trans | -92.4 | 28.5 | 166.2 | -78.5 | -31.6 | 0 | 0 | 0 | 111.6 | ||||
| 423 | E | 59.6 | Low | 61.1 | Low | 186 Ų | 186 | 130.7 Ų | 130.7 | 87% | 0.869 | 69% | 0.694 | S | S | * | * | trans | -99.7 | 100.5 | 170.7 | -162.4 | 165.9 | -159.9 | 0 | 0 | 108.5 | E421 D425 | E421-E423 VanDerWaalsContact C-N 3.26Å; E423-D425 PolarHBondContact O-N 3.46Å | ||
| 424 | M | 65.9 | Low | 63.1 | Low | 113 Ų | 113 | 134 Ų | 134 | 56% | 0.557 | 69% | 0.686 | S | S | * | * | trans | -60.7 | 127.3 | 177.7 | -163.4 | -179.8 | -55.9 | 0 | 0 | 109.2 | I428 E429 | M424-I428 HydrophobicContact CG-CB 4.49Å; M424-I428 HydrophobicContact CG-CG2 4.17Å; M424-I428 HydrophobicContact SD-CG2 4.42Å; M424-E429 HydrophobicContact SD-CB 4.35Å | ||
| 425 | D | 75.5 | Confident | 65.6 | Low | 83 Ų | 83 | 132.7 Ų | 132.7 | 44% | 0.444 | 67% | 0.673 | S | S | . | * | trans | -53 | 128.1 | 179.3 | -171.5 | -30 | 0 | 0 | 0 | 110.1 | E423 E427 I428 E429 | E423-D425 PolarHBondContact O-N 3.46Å; D425-E427 PolarHBondContact O-N 3.2Å; D425-E427 VanDerWaalsContact O-N 3.08Å; D425-E427 PolarHBondContact OD1-N 3.48Å; D425-E427 VanDerWaalsContact OD1-N 3.08Å; D425-I428 HydrophobicContact CB-CB 4.2Å; D425-I428 HydrophobicContact CB-CD1 3.84Å; D425-I428 HydrophobicContact CB-CG1 3.95Å; D425-I428 WeakPolarHBondContact O-CA 3.46Å; D425-I428 WeakPolarHBondContact O-CB 3.42Å; D425-I428 PolarHBondContact O-N 3.4Å; D425-E429 PolarHBondContact O-N 3.04Å | ||
| 426 | P | 74.1 | Confident | 67.3 | Low | 98 Ų | 98 | 126.5 Ų | 126.5 | 64% | 0.636 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -55.9 | -26.6 | -178.6 | 18.7 | -31.5 | 0 | 0 | 0 | 113.7 | E430 | P426-E430 PolarHBondContact O-N 2.94Å; P426-E430 VanDerWaalsContact O-N 3.13Å |
| 427 | E | 73.4 | Confident | 69 | Low | 152 Ų | 152 | 126.6 Ų | 126.6 | 71% | 0.71 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -71 | -36.9 | 174 | -172.6 | 172.8 | 179.2 | 0 | 0 | 112.1 | D425 A431 | D425-E427 PolarHBondContact O-N 3.2Å; D425-E427 VanDerWaalsContact O-N 3.08Å; D425-E427 PolarHBondContact OD1-N 3.48Å; D425-E427 VanDerWaalsContact OD1-N 3.08Å; E427-A431 WeakPolarHBondContact O-CB 3.21Å; E427-A431 PolarHBondContact O-N 2.83Å; E427-A431 VanDerWaalsContact O-N 3.11Å |
| 428 | I | 75 | Confident | 70.6 | Confident | 101 Ų | 101 | 127.6 Ų | 127.6 | 52% | 0.518 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -72.8 | -38.8 | 177.9 | -64.4 | 176.7 | 0 | 0 | 0 | 110.4 | M424 D425 A431 F432 | M424-I428 HydrophobicContact CG-CB 4.49Å; M424-I428 HydrophobicContact CG-CG2 4.17Å; M424-I428 HydrophobicContact SD-CG2 4.42Å; D425-I428 HydrophobicContact CB-CB 4.2Å; D425-I428 HydrophobicContact CB-CD1 3.84Å; D425-I428 HydrophobicContact CB-CG1 3.95Å; D425-I428 WeakPolarHBondContact O-CA 3.46Å; D425-I428 WeakPolarHBondContact O-CB 3.42Å; D425-I428 PolarHBondContact O-N 3.4Å; I428-A431 PolarHBondContact O-N 3.12Å; I428-F432 WeakPolarHBondContact O-CB 3.49Å; I428-F432 PolarHBondContact O-N 3.11Å |
| 429 | E | 79 | Confident | 72 | Confident | 99 Ų | 99 | 120.6 Ų | 120.6 | 46% | 0.463 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63.7 | -45.2 | 176.2 | -167.9 | 169.9 | -152.8 | 0 | 0 | 111.2 | M424 D425 A431 F432 E433 | M424-E429 HydrophobicContact SD-CB 4.35Å; D425-E429 PolarHBondContact O-N 3.04Å; E429-A431 VanDerWaalsContact C-N 3.35Å; E429-A431 PolarHBondContact O-N 3.49Å; E429-F432 PolarHBondContact O-N 3.42Å; E429-E433 WeakPolarHBondContact O-CG 3.49Å; E429-E433 PolarHBondContact O-N 3.25Å |
| 430 | E | 82 | Confident | 72.8 | Confident | 144 Ų | 144 | 119 Ų | 119 | 67% | 0.673 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.9 | -39.6 | 176.8 | -168.1 | -178.7 | 175 | 0 | 0 | 111.9 | P426 F432 E433 K434 | P426-E430 PolarHBondContact O-N 2.94Å; P426-E430 VanDerWaalsContact O-N 3.13Å; E430-F432 VanDerWaalsContact C-N 3.34Å; E430-F432 PolarHBondContact O-N 3Å; E430-E433 PolarHBondContact O-N 3.42Å; E430-K434 WeakPolarHBondContact O-CB 3.32Å; E430-K434 PolarHBondContact O-N 3.49Å |
| 431 | A | 82.8 | Confident | 73.5 | Confident | 60 Ų | 60 | 121.5 Ų | 121.5 | 50% | 0.496 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.8 | -39.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | E427 I428 E429 K434 F435 | E427-A431 WeakPolarHBondContact O-CB 3.21Å; E427-A431 PolarHBondContact O-N 2.83Å; E427-A431 VanDerWaalsContact O-N 3.11Å; I428-A431 PolarHBondContact O-N 3.12Å; E429-A431 VanDerWaalsContact C-N 3.35Å; E429-A431 PolarHBondContact O-N 3.49Å; A431-K434 PolarHBondContact O-N 3.2Å; A431-F435 PolarHBondContact O-N 2.94Å |
| 432 | F | 81.9 | Confident | 73.8 | Confident | 125 Ų | 125 | 120 Ų | 120 | 55% | 0.548 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.5 | -42.9 | 177.6 | -178.1 | -101.1 | 0 | 0 | 0 | 112.3 | I428 E429 E430 K434 F435 C436 | I428-F432 WeakPolarHBondContact O-CB 3.49Å; I428-F432 PolarHBondContact O-N 3.11Å; E429-F432 PolarHBondContact O-N 3.42Å; E430-F432 VanDerWaalsContact C-N 3.34Å; E430-F432 PolarHBondContact O-N 3Å; F432-K434 VanDerWaalsContact C-N 3.33Å; F432-K434 PolarHBondContact O-N 3.48Å; F432-F435 WeakPolarHBondContact O-CB 3.42Å; F432-F435 PolarHBondContact O-N 2.82Å; F432-C436 PolarHBondContact O-N 3.38Å; F432-C436 PolarHBondContact O-SG 2.94Å |
| 433 | E | 85.4 | Confident | 74 | Confident | 116 Ų | 116 | 122 Ų | 122 | 54% | 0.542 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.5 | -42.5 | 174.8 | -73.9 | -164.4 | 159.1 | 0 | 0 | 111.6 | E429 E430 F435 C436 L437 | E429-E433 WeakPolarHBondContact O-CG 3.49Å; E429-E433 PolarHBondContact O-N 3.25Å; E430-E433 PolarHBondContact O-N 3.42Å; E433-F435 VanDerWaalsContact C-N 3.32Å; E433-F435 PolarHBondContact O-N 3.29Å; E433-C436 PolarHBondContact O-N 2.98Å; E433-L437 WeakPolarHBondContact O-CG 3.42Å; E433-L437 PolarHBondContact O-N 2.91Å |
| 434 | K | 84.8 | Confident | 73.5 | Confident | 148 Ų | 148 | 122.4 Ų | 122.4 | 64% | 0.643 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62 | -40.1 | 176.8 | -169.4 | 177.5 | -178.4 | 179.6 | 0 | 111.9 | E430 A431 F432 L437 E438 | E430-K434 WeakPolarHBondContact O-CB 3.32Å; E430-K434 PolarHBondContact O-N 3.49Å; A431-K434 PolarHBondContact O-N 3.2Å; F432-K434 VanDerWaalsContact C-N 3.33Å; F432-K434 PolarHBondContact O-N 3.48Å; K434-L437 PolarHBondContact O-N 3.23Å; K434-E438 WeakPolarHBondContact O-CB 3.48Å; K434-E438 PolarHBondContact O-N 3.4Å |
| 435 | F | 81.9 | Confident | 73.1 | Confident | 133 Ų | 133 | 126.7 Ų | 126.7 | 58% | 0.583 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.5 | -42 | 174.9 | 176.9 | -98.7 | 0 | 0 | 0 | 112.4 | A431 F432 E433 E438 S439 | A431-F435 PolarHBondContact O-N 2.94Å; F432-F435 WeakPolarHBondContact O-CB 3.42Å; F432-F435 PolarHBondContact O-N 2.82Å; E433-F435 VanDerWaalsContact C-N 3.32Å; E433-F435 PolarHBondContact O-N 3.29Å; F435-E438 PolarHBondContact O-N 2.98Å; F435-S439 WeakPolarHBondContact O-CB 3.5Å; F435-S439 PolarHBondContact O-N 3.23Å; F435-S439 PolarHBondContact O-OG 3.05Å |
| 436 | C | 82.5 | Confident | 73 | Confident | 47 Ų | 47 | 128.9 Ų | 128.9 | 32% | 0.318 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -62.3 | -44.2 | 175.5 | -67.9 | 0 | 0 | 0 | 0 | 111.6 | F432 E433 E438 S439 E440 | F432-C436 PolarHBondContact O-N 3.38Å; F432-C436 PolarHBondContact O-SG 2.94Å; E433-C436 PolarHBondContact O-N 2.98Å; C436-E438 PolarHBondContact O-N 3.04Å; C436-S439 WeakPolarHBondContact CA-OG 3.49Å; C436-S439 PolarHBondContact O-N 2.97Å; C436-S439 PolarHBondContact O-OG 3.44Å; C436-E440 WeakPolarHBondContact O-CG 3.36Å; C436-E440 PolarHBondContact O-N 3.45Å |
| 437 | L | 78.1 | Confident | 72.9 | Confident | 107 Ų | 107 | 130.5 Ų | 130.5 | 56% | 0.56 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.7 | -35.8 | 178.2 | -71.8 | 166.7 | 0 | 0 | 0 | 112.8 | E433 K434 R441 | E433-L437 WeakPolarHBondContact O-CG 3.42Å; E433-L437 PolarHBondContact O-N 2.91Å; K434-L437 PolarHBondContact O-N 3.23Å; L437-R441 WeakPolarHBondContact O-CB 3.38Å; L437-R441 WeakPolarHBondContact O-CG 3.45Å; L437-R441 PolarHBondContact O-N 2.73Å |
| 438 | E | 74.5 | Confident | 72.9 | Confident | 99 Ų | 99 | 129.3 Ų | 129.3 | 46% | 0.463 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -71.5 | -39 | 177.2 | -161.5 | -173 | 151.4 | 0 | 0 | 112.1 | K434 F435 C436 R441 K442 | K434-E438 WeakPolarHBondContact O-CB 3.48Å; K434-E438 PolarHBondContact O-N 3.4Å; F435-E438 PolarHBondContact O-N 2.98Å; C436-E438 PolarHBondContact O-N 3.04Å; E438-R441 PolarHBondContact O-N 3.36Å; E438-K442 PolarHBondContact O-N 3.46Å; E438-K442 IonicContact OE1-NZ 3.47Å; E438-K442 PolarHBondContact OE1-NZ 3.13Å |
| 439 | S | 67.9 | Low | 72.8 | Confident | 41 Ų | 41 | 130.9 Ų | 130.9 | 29% | 0.287 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -70.5 | -31.2 | 177.2 | 54 | 0 | 0 | 0 | 0 | 112.6 | F435 C436 R443 | F435-S439 WeakPolarHBondContact O-CB 3.5Å; F435-S439 PolarHBondContact O-N 3.23Å; F435-S439 PolarHBondContact O-OG 3.05Å; C436-S439 WeakPolarHBondContact CA-OG 3.49Å; C436-S439 PolarHBondContact O-N 2.97Å; C436-S439 PolarHBondContact O-OG 3.44Å; S439-R443 WeakPolarHBondContact O-CG 3.39Å; S439-R443 PolarHBondContact O-N 3.37Å |
| 440 | E | 66.8 | Low | 72.4 | Confident | 117 Ų | 117 | 132.9 Ų | 132.9 | 55% | 0.547 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -72.2 | -37.3 | 169.8 | -75.3 | -164.4 | 160.2 | 0 | 0 | 113.3 | C436 K442 R443 R444 | C436-E440 WeakPolarHBondContact O-CG 3.36Å; C436-E440 PolarHBondContact O-N 3.45Å; E440-K442 VanDerWaalsContact C-N 3.29Å; E440-K442 PolarHBondContact O-N 3.49Å; E440-R443 PolarHBondContact O-N 3.35Å; E440-R443 VanDerWaalsContact O-N 3.13Å; E440-R444 PolarHBondContact O-N 3Å |
| 441 | R | 64.9 | Low | 71.8 | Confident | 216 Ų | 216 | 132.2 Ų | 132.2 | 82% | 0.815 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.8 | -33.3 | 173.1 | -84.4 | -179.3 | 172.7 | 174.7 | 0.5 | 112.7 | L437 E438 R443 | L437-R441 WeakPolarHBondContact O-CB 3.38Å; L437-R441 WeakPolarHBondContact O-CG 3.45Å; L437-R441 PolarHBondContact O-N 2.73Å; E438-R441 PolarHBondContact O-N 3.36Å; R441-R443 VanDerWaalsContact C-N 3.28Å; R441-R443 PolarHBondContact O-N 3.43Å |
| 442 | K | 58 | Low | 71 | Confident | 157 Ų | 157 | 137.4 Ų | 137.4 | 68% | 0.683 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -10.2 | 174.6 | -81.1 | 169.4 | 172.8 | 157.4 | 0 | 113.9 | E438 E440 | E438-K442 PolarHBondContact O-N 3.46Å; E438-K442 IonicContact OE1-NZ 3.47Å; E438-K442 PolarHBondContact OE1-NZ 3.13Å; E440-K442 VanDerWaalsContact C-N 3.29Å; E440-K442 PolarHBondContact O-N 3.49Å |
| 443 | R | 59.3 | Low | 70.1 | Confident | 219 Ų | 219 | 138.3 Ų | 138.3 | 83% | 0.826 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | -0.4 | -177.2 | -77.6 | -175.4 | 174.8 | 169.4 | 1.5 | 115.1 | S439 E440 R441 | S439-R443 WeakPolarHBondContact O-CG 3.39Å; S439-R443 PolarHBondContact O-N 3.37Å; E440-R443 PolarHBondContact O-N 3.35Å; E440-R443 VanDerWaalsContact O-N 3.13Å; R441-R443 VanDerWaalsContact C-N 3.28Å; R441-R443 PolarHBondContact O-N 3.43Å |
| 444 | R | 50.8 | Low | 68.9 | Low | 195 Ų | 195 | 140.2 Ų | 140.2 | 74% | 0.736 | 65% | 0.648 | S | S | * | * | trans | -94.6 | 131.5 | 166.8 | -66.8 | -172.1 | -176 | -168.7 | 3.5 | 108.9 | E440 | E440-R444 PolarHBondContact O-N 3Š| ||
| 445 | P | 57.2 | Low | 67.4 | Low | 203 Ų | 203 | 139.5 Ų | 139.5 | 100% | 1.318 | 65% | 0.649 | S | S | * | * | trans | -64.9 | 0 | -169.3 | 27.3 | -35.7 | 0 | 0 | 0 | 114.4 |
Retrieved 445 of 445 residues in 799.6 ms
(Link to these results)