| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.6 | Very low | 46.2 | Very low | 240 Ų | 240 | 156.7 Ų | 156.7 | 100% | 1.182 | 82% | 0.82 | S | S | * | * | 0 | 117.5 | 0 | -68.3 | -177.4 | -162.9 | 0 | 0 | 106 | |||||
| 2 | A | 46.2 | Very low | 46.1 | Very low | 83 Ų | 83 | 160.3 Ų | 160.3 | 69% | 0.686 | 82% | 0.824 | S | S | * | * | trans | 47.1 | 121.4 | 150.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 3 | D | 48.5 | Very low | 45.4 | Very low | 150 Ų | 150 | 163.2 Ų | 163.2 | 80% | 0.802 | 83% | 0.827 | S | S | * | * | cis | -163.7 | 158.3 | 23.1 | -79.6 | -41.3 | 0 | 0 | 0 | 111.3 | ||||
| 4 | D | 43.6 | Very low | 45.1 | Very low | 140 Ų | 140 | 166.6 Ų | 166.6 | 75% | 0.749 | 83% | 0.833 | S | S | * | * | trans | -51.8 | 167.1 | 174.5 | -59.4 | -62.8 | 0 | 0 | 0 | 115.9 | ||||
| 5 | I | 58.8 | Low | 44.3 | Very low | 149 Ų | 149 | 169.2 Ų | 169.2 | 76% | 0.764 | 84% | 0.837 | S | S | * | * | 168.5 | 105.1 | 117 | -83 | 152.4 | 0 | 0 | 0 | 112.7 | |||||
| 6 | L | 53.4 | Low | 43.8 | Very low | 162 Ų | 162 | 164.6 Ų | 164.6 | 85% | 0.848 | 83% | 0.834 | S | S | * | * | trans | 61.6 | 97.5 | 132.2 | -51.9 | 177.4 | 0 | 0 | 0 | 121.2 | ||||
| 7 | D | 39.6 | Very low | 43.5 | Very low | 171 Ų | 171 | 166.5 Ų | 166.5 | 91% | 0.914 | 84% | 0.835 | S | S | * | * | trans | -83.7 | 127.5 | 152.7 | -116.5 | -21.1 | 0 | 0 | 0 | 110.1 | ||||
| 8 | F | 45.5 | Very low | 43 | Very low | 183 Ų | 183 | 164.2 Ų | 164.2 | 80% | 0.803 | 83% | 0.834 | S | S | * | * | trans | -115.8 | 92.7 | 171.9 | -170.5 | -96 | 0 | 0 | 0 | 109.9 | ||||
| 9 | E | 39.2 | Very low | 42.7 | Very low | 157 Ų | 157 | 164.7 Ų | 164.7 | 73% | 0.734 | 84% | 0.838 | S | S | * | * | trans | -65.7 | 134.1 | 155.4 | -73.2 | -167.1 | 128.8 | 0 | 0 | 109.5 | ||||
| 10 | S | 48.4 | Very low | 42.3 | Very low | 106 Ų | 106 | 161.8 Ų | 161.8 | 74% | 0.741 | 83% | 0.828 | S | S | * | * | trans | -171.5 | 118.5 | 132.5 | -86.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 11 | K | 42.7 | Very low | 42.1 | Very low | 183 Ų | 183 | 162.4 Ų | 162.4 | 80% | 0.796 | 83% | 0.828 | S | S | * | * | trans | -44 | 145.1 | 165.2 | -65 | 151.2 | 175.6 | 159.1 | 0 | 116 | ||||
| 12 | K | 44.1 | Very low | 41.9 | Very low | 200 Ų | 200 | 156.7 Ų | 156.7 | 87% | 0.87 | 80% | 0.802 | S | S | * | * | 161.1 | 108.8 | 124.5 | -90.7 | 168.4 | 178 | 175.2 | 0 | 110.3 | |||||
| 13 | K | 37.7 | Very low | 41.6 | Very low | 198 Ų | 198 | 162.4 Ų | 162.4 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | 44.1 | 104.4 | 82.8 | -90.9 | -171.3 | -178.6 | 178.4 | 0 | 116.1 | |||||
| 14 | K | 40.5 | Very low | 40.9 | Very low | 211 Ų | 211 | 164.4 Ų | 164.4 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | 165.2 | 159.9 | 105.6 | -94.4 | 178.8 | 178.8 | -178.5 | 0 | 113.5 | |||||
| 15 | K | 34.3 | Very low | 40.7 | Very low | 205 Ų | 205 | 165.3 Ų | 165.3 | 89% | 0.891 | 82% | 0.818 | S | S | * | * | trans | -101.2 | 158.3 | -161.2 | -120.7 | 178.5 | 178.7 | -179 | 0 | 113.4 | ||||
| 16 | A | 36.4 | Very low | 39.6 | Very low | 95 Ų | 95 | 166.2 Ų | 166.2 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | 75.1 | 144.9 | 151.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 17 | K | 37.2 | Very low | 38.7 | Very low | 197 Ų | 197 | 164.5 Ų | 164.5 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | cis | -149.5 | 165.7 | 23.2 | -90.4 | 173.8 | 173.8 | 173.9 | 0 | 110.6 | ||||
| 18 | P | 34.9 | Very low | 38.6 | Very low | 125 Ų | 125 | 164.1 Ų | 164.1 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | trans | -93.8 | 157.6 | -177.7 | 37.3 | -31.1 | 0 | 0 | 0 | 113.3 | ||||
| 19 | L | 37.7 | Very low | 38.2 | Very low | 174 Ų | 174 | 163 Ų | 163 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | trans | -143 | 143.9 | 170.1 | -116.8 | 165.2 | 0 | 0 | 0 | 110.9 | ||||
| 20 | V | 35.5 | Very low | 38.5 | Very low | 106 Ų | 106 | 163 Ų | 163 | 64% | 0.642 | 82% | 0.82 | S | S | * | * | trans | -82.2 | 151.3 | -162.6 | 178.8 | 0 | 0 | 0 | 0 | 111.7 | D22 | V20-D22 WeakPolarHBondContact CG1-OD2 3.45Š| ||
| 21 | H | 38.2 | Very low | 38.1 | Very low | 176 Ų | 176 | 162.2 Ų | 162.2 | 82% | 0.815 | 82% | 0.82 | S | S | * | * | trans | -148.6 | 116.6 | 139 | -130.8 | -17.7 | 0 | 0 | 0 | 112.5 | ||||
| 22 | D | 36.9 | Very low | 38.1 | Very low | 120 Ų | 120 | 160.5 Ų | 160.5 | 64% | 0.642 | 82% | 0.819 | S | S | * | * | trans | -60.7 | 141.7 | 168.1 | -62 | -80 | 0 | 0 | 0 | 113 | V20 | V20-D22 WeakPolarHBondContact CG1-OD2 3.45Š| ||
| 23 | F | 40.3 | Very low | 38 | Very low | 202 Ų | 202 | 159.9 Ų | 159.9 | 89% | 0.886 | 82% | 0.82 | S | S | * | * | trans | -135 | 117.4 | 150.3 | -85.1 | -80.8 | 0 | 0 | 0 | 107.8 | ||||
| 24 | K | 34.7 | Very low | 38.3 | Very low | 193 Ų | 193 | 158 Ų | 158 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | trans | -137.8 | 112.4 | 179.1 | -149.8 | -177.4 | -166.5 | 178.4 | 0 | 105.1 | ||||
| 25 | D | 37.9 | Very low | 38.4 | Very low | 158 Ų | 158 | 155.1 Ų | 155.1 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | 179.3 | 130.5 | 170.9 | -87.7 | -23.7 | 0 | 0 | 0 | 103.9 | ||||
| 26 | E | 37.4 | Very low | 38.9 | Very low | 169 Ų | 169 | 152.7 Ų | 152.7 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | cis | -145.9 | 156.9 | 5.5 | -69 | -159.6 | 119.4 | 0 | 0 | 109 | ||||
| 27 | T | 34.3 | Very low | 39.3 | Very low | 126 Ų | 126 | 155.1 Ų | 155.1 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -77 | 125.9 | 164.8 | 41.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 28 | D | 37.1 | Very low | 39.6 | Very low | 162 Ų | 162 | 155 Ų | 155 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | trans | -130.5 | 105 | 154.2 | -89.8 | -29.7 | 0 | 0 | 0 | 109.4 | ||||
| 29 | N | 37.8 | Very low | 40.1 | Very low | 159 Ų | 159 | 152 Ų | 152 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | -73.2 | 118.7 | 161.4 | -85.5 | -53 | 0 | 0 | 0 | 107.9 | ||||
| 30 | L | 44.2 | Very low | 40.2 | Very low | 158 Ų | 158 | 149.4 Ų | 149.4 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | trans | -133.9 | 110.3 | 150.7 | -139.3 | 82 | 0 | 0 | 0 | 109.1 | N32 | L30-N32 PolarHBondContact O-N 3.21Š| ||
| 31 | A | 39.8 | Very low | 40.9 | Very low | 89 Ų | 89 | 154.3 Ų | 154.3 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | trans | -55.9 | 129.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 32 | N | 43.5 | Very low | 41.1 | Very low | 148 Ų | 148 | 155.5 Ų | 155.5 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | -146.2 | 107.8 | 147.5 | -88.7 | -35.9 | 0 | 0 | 0 | 107.7 | L30 D34 | L30-N32 PolarHBondContact O-N 3.21Å; N32-D34 PolarHBondContact O-N 3.36Å | ||
| 33 | Q | 41.5 | Very low | 41.4 | Very low | 187 Ų | 187 | 159.5 Ų | 159.5 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | -69.2 | 115.6 | 164.6 | -71.5 | 170.6 | -13.9 | 0 | 0 | 107.3 | ||||
| 34 | D | 43.5 | Very low | 41.4 | Very low | 157 Ų | 157 | 160.2 Ų | 160.2 | 84% | 0.84 | 83% | 0.825 | S | S | * | * | trans | -117 | 100.2 | 154.9 | -88 | -33.4 | 0 | 0 | 0 | 108.5 | N32 | N32-D34 PolarHBondContact O-N 3.36Š| ||
| 35 | I | 43.1 | Very low | 41.5 | Very low | 151 Ų | 151 | 159 Ų | 159 | 77% | 0.774 | 82% | 0.82 | S | S | * | * | trans | -77.7 | 110.1 | 174.7 | -162.2 | 163.5 | 0 | 0 | 0 | 107.5 | ||||
| 36 | L | 46.1 | Very low | 41.6 | Very low | 155 Ų | 155 | 159 Ų | 159 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | trans | -124 | 83 | 166.6 | -70.6 | 178.5 | 0 | 0 | 0 | 108.6 | ||||
| 37 | D | 43.2 | Very low | 41.6 | Very low | 145 Ų | 145 | 158.9 Ų | 158.9 | 78% | 0.775 | 82% | 0.817 | S | S | * | * | trans | -77.5 | 109.9 | 170.9 | -172.5 | 19.6 | 0 | 0 | 0 | 109.4 | G39 | D37-G39 PolarHBondContact O-N 2.81Š| ||
| 38 | F | 44.4 | Very low | 41.7 | Very low | 195 Ų | 195 | 159.3 Ų | 159.3 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | trans | -90.5 | 91.4 | 173.8 | -98.5 | -87.8 | 0 | 0 | 0 | 110 | ||||
| 39 | G | 44.6 | Very low | 41.5 | Very low | 61 Ų | 61 | 159 Ų | 159 | 63% | 0.629 | 81% | 0.811 | S | S | * | * | trans | 47.3 | 91.1 | 133.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | D37 K41 | D37-G39 PolarHBondContact O-N 2.81Å; G39-K41 PolarHBondContact O-N 3.3Å | ||
| 40 | S | 41.1 | Very low | 41 | Very low | 120 Ų | 120 | 156 Ų | 156 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | -51.8 | 116.3 | 165.6 | -27.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 41 | K | 48.9 | Very low | 41 | Very low | 209 Ų | 209 | 156.9 Ų | 156.9 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -108 | 100 | 160.4 | -85.2 | -177.4 | 178.1 | 171.4 | 0 | 110.2 | G39 | G39-K41 PolarHBondContact O-N 3.3Š| ||
| 42 | K | 43.4 | Very low | 40.9 | Very low | 202 Ų | 202 | 158.8 Ų | 158.8 | 88% | 0.878 | 81% | 0.805 | S | S | * | * | trans | -36.5 | 128.7 | 157.5 | -90.4 | 167.6 | 165.7 | 165.1 | 0 | 112.3 | ||||
| 43 | K | 42.8 | Very low | 40.6 | Very low | 203 Ų | 203 | 158.8 Ų | 158.8 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | -176.4 | 124.8 | 120.3 | -102.5 | 168.9 | -178.1 | 178.2 | 0 | 114 | |||||
| 44 | K | 40.9 | Very low | 40.6 | Very low | 217 Ų | 217 | 156.6 Ų | 156.6 | 94% | 0.943 | 80% | 0.804 | S | S | * | * | trans | 77.2 | 141.3 | 152.6 | -82.7 | -177 | 171.9 | -175.7 | 0 | 120.4 | ||||
| 45 | K | 35.3 | Very low | 40.3 | Very low | 168 Ų | 168 | 152.4 Ų | 152.4 | 73% | 0.73 | 80% | 0.798 | S | S | * | * | trans | -131.3 | 133.5 | -156.2 | 160 | -174.1 | -178.6 | 174.3 | 0 | 106 | ||||
| 46 | D | 41.8 | Very low | 39.7 | Very low | 158 Ų | 158 | 152.2 Ų | 152.2 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | -155.3 | 103.1 | 150.1 | -81.5 | -41.9 | 0 | 0 | 0 | 105 | ||||
| 47 | K | 36 | Very low | 39.5 | Very low | 166 Ų | 166 | 154.7 Ų | 154.7 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | 48.5 | 129.6 | 95.3 | -90.4 | -175.2 | 175.9 | -176.4 | 0 | 111.7 | |||||
| 48 | L | 36 | Very low | 39 | Very low | 136 Ų | 136 | 155.3 Ų | 155.3 | 71% | 0.712 | 80% | 0.801 | S | S | * | * | cis | -179.3 | 128.1 | 20 | -167.9 | 90.1 | 0 | 0 | 0 | 103 | ||||
| 49 | L | 34.6 | Very low | 38.7 | Very low | 155 Ų | 155 | 153.9 Ų | 153.9 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | 163.6 | 122.7 | 98.8 | -87 | 159.8 | 0 | 0 | 0 | 107.1 | |||||
| 50 | S | 26.9 | Very low | 38.3 | Very low | 97 Ų | 97 | 159.6 Ų | 159.6 | 68% | 0.678 | 81% | 0.813 | S | S | * | * | trans | -116.8 | 140 | 163.2 | 48.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 51 | L | 43.6 | Very low | 38.2 | Very low | 175 Ų | 175 | 158.7 Ų | 158.7 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | -114.2 | 110.3 | 163.7 | -129.1 | 93 | 0 | 0 | 0 | 106.8 | ||||
| 52 | D | 36.9 | Very low | 37.4 | Very low | 129 Ų | 129 | 157.5 Ų | 157.5 | 69% | 0.69 | 80% | 0.802 | S | S | * | * | trans | -64.7 | 166.6 | 161.3 | -45.4 | -61.2 | 0 | 0 | 0 | 108 | ||||
| 53 | D | 39 | Very low | 36.8 | Very low | 149 Ų | 149 | 156.2 Ų | 156.2 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | cis | -172.9 | -175.6 | 27.2 | -154.1 | -60.2 | 0 | 0 | 0 | 105.8 | ||||
| 54 | V | 40.5 | Very low | 36.4 | Very low | 141 Ų | 141 | 153.1 Ų | 153.1 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | trans | 113.2 | 83.4 | 168 | -169.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 55 | G | 36.7 | Very low | 35.9 | Very low | 68 Ų | 68 | 149.7 Ų | 149.7 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | 96.9 | 91.8 | 102.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 56 | N | 31.8 | Very low | 36 | Very low | 148 Ų | 148 | 149.9 Ų | 149.9 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | -42.7 | 143.7 | 160.1 | -93.4 | -10.6 | 0 | 0 | 0 | 115 | ||||
| 57 | K | 40.4 | Very low | 35.3 | Very low | 207 Ų | 207 | 150.1 Ų | 150.1 | 90% | 0.9 | 77% | 0.774 | S | S | * | * | -168.4 | 142.8 | 114.3 | -102.9 | 168.6 | -175.1 | 174.2 | 0 | 112.2 | |||||
| 58 | E | 32.7 | Very low | 35.4 | Very low | 158 Ų | 158 | 147.5 Ų | 147.5 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | -71.5 | 153.6 | -172.3 | -62 | 156 | 177.1 | 0 | 0 | 112.2 | ||||
| 59 | D | 37.8 | Very low | 35.4 | Very low | 165 Ų | 165 | 146.8 Ų | 146.8 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | trans | 170.1 | 111.4 | 132.2 | -79 | -28.5 | 0 | 0 | 0 | 110.6 | ||||
| 60 | E | 37.9 | Very low | 35.5 | Very low | 181 Ų | 181 | 146 Ų | 146 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | trans | -72.9 | 175.5 | 166 | -78.3 | -85.6 | 146 | 0 | 0 | 111 | ||||
| 61 | P | 38.3 | Very low | 36.3 | Very low | 100 Ų | 100 | 147.2 Ų | 147.2 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | cis | -140.8 | -175.5 | -9 | 30.3 | -5.8 | 0 | 0 | 0 | 115.7 | ||||
| 62 | E | 32.6 | Very low | 36.2 | Very low | 185 Ų | 185 | 141.6 Ų | 141.6 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | trans | 77.8 | 114.1 | 157.7 | -56.9 | -163 | 160 | 0 | 0 | 120.8 | ||||
| 63 | F | 30.3 | Very low | 36.4 | Very low | 175 Ų | 175 | 140.9 Ų | 140.9 | 77% | 0.768 | 75% | 0.751 | S | S | * | * | 155.2 | 116.8 | 121.7 | -162 | -101.3 | 0 | 0 | 0 | 112.7 | |||||
| 64 | H | 34.4 | Very low | 36.7 | Very low | 138 Ų | 138 | 138.8 Ų | 138.8 | 64% | 0.639 | 74% | 0.735 | S | S | * | * | trans | 68.7 | 130.7 | 150.7 | -78.6 | -116.5 | 0 | 0 | 0 | 124 | ||||
| 65 | E | 31 | Very low | 37.1 | Very low | 144 Ų | 144 | 138.9 Ų | 138.9 | 67% | 0.673 | 73% | 0.726 | S | S | * | * | trans | 79 | 135.5 | 142.9 | -80.5 | -167.8 | 163.5 | 0 | 0 | 121.9 | ||||
| 66 | K | 35.8 | Very low | 37.7 | Very low | 172 Ų | 172 | 141.9 Ų | 141.9 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | trans | 101.9 | 124.4 | 145.7 | -71.3 | 146.1 | 177.7 | 148.9 | 0 | 119.2 | ||||
| 67 | D | 28.6 | Very low | 38.5 | Very low | 163 Ų | 163 | 139 Ų | 139 | 87% | 0.872 | 71% | 0.713 | S | S | * | * | trans | -55.8 | 140.1 | 172.4 | -56 | -72.8 | 0 | 0 | 0 | 113.2 | ||||
| 68 | P | 37.2 | Very low | 39 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 72% | 0.721 | 70% | 0.7 | S | S | * | * | trans | -114 | 134.7 | 159.1 | 40.3 | -29.2 | 0 | 0 | 0 | 107.2 | ||||
| 69 | T | 35.8 | Very low | 40 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 74% | 0.742 | 70% | 0.701 | S | S | * | * | cis | -172.4 | 121.5 | 42.6 | 39.9 | 0 | 0 | 0 | 0 | 108.2 | N71 | T69-N71 VanDerWaalsContact C-N 3.35Š| ||
| 70 | E | 37 | Very low | 40.6 | Very low | 139 Ų | 139 | 135.4 Ų | 135.4 | 65% | 0.65 | 70% | 0.695 | S | S | * | * | trans | -91.9 | 13.8 | 168 | -76.8 | -165.9 | 161.1 | 0 | 0 | 113.4 | G72 K74 | E70-G72 PolarHBondContact O-N 3.47Å; E70-K74 IonicContact OE2-NZ 3.96Å; E70-K74 PolarHBondContact OE2-NZ 2.96Å | ||
| 71 | N | 44 | Very low | 41.2 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 66% | 0.658 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 2.7 | -164.8 | -67.6 | -12.8 | 0 | 0 | 0 | 115.5 | T69 | T69-N71 VanDerWaalsContact C-N 3.35Š|
| 72 | G | 40.3 | Very low | 41.7 | Very low | 57 Ų | 57 | 131.1 Ų | 131.1 | 59% | 0.588 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -23.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | E70 | E70-G72 PolarHBondContact O-N 3.47Š|
| 73 | V | 42.5 | Very low | 42.7 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 69% | 0.691 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -21.5 | -170.1 | -171.7 | 0 | 0 | 0 | 0 | 112.2 | T77 | V73-T77 PolarHBondContact O-OG1 3.47Š|
| 74 | K | 44.5 | Very low | 43.4 | Very low | 104 Ų | 104 | 129.2 Ų | 129.2 | 45% | 0.452 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -76.9 | -25.9 | -176.4 | -64.8 | 174.5 | -175 | 165.8 | 0 | 113.5 | E70 L76 T77 | E70-K74 IonicContact OE2-NZ 3.96Å; E70-K74 PolarHBondContact OE2-NZ 2.96Å; K74-L76 PolarHBondContact O-N 3.28Å; K74-T77 PolarHBondContact O-OG1 3.41Å; K74-T77 VanDerWaalsContact O-OG1 3.06Å |
| 75 | Q | 48.9 | Very low | 43.7 | Very low | 143 Ų | 143 | 129 Ų | 129 | 67% | 0.668 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -78 | -16.5 | -179.7 | -71.7 | -176.8 | 7.1 | 0 | 0 | 114.9 | ||
| 76 | L | 49.2 | Very low | 44 | Very low | 131 Ų | 131 | 132 Ų | 132 | 69% | 0.686 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -94.2 | -22.2 | 177.3 | -69.3 | 172.4 | 0 | 0 | 0 | 112.6 | K74 | K74-L76 PolarHBondContact O-N 3.28Å |
| 77 | T | 48.3 | Very low | 44.2 | Very low | 88 Ų | 88 | 128.7 Ų | 128.7 | 54% | 0.54 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -81.9 | -26.7 | 177.2 | 45.3 | 0 | 0 | 0 | 0 | 113.2 | V73 K74 | V73-T77 PolarHBondContact O-OG1 3.47Å; K74-T77 PolarHBondContact O-OG1 3.41Å; K74-T77 VanDerWaalsContact O-OG1 3.06Å |
| 78 | E | 51.3 | Low | 45 | Very low | 135 Ų | 135 | 127.9 Ų | 127.9 | 63% | 0.631 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -76.4 | -27.2 | 179 | -73.2 | 174.2 | 172.3 | 0 | 0 | 112.8 | ||
| 79 | K | 54 | Low | 45.2 | Very low | 174 Ų | 174 | 131.8 Ų | 131.8 | 76% | 0.757 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -82.8 | -12.2 | 179.6 | -69.4 | -176.1 | 178.1 | 179.4 | 0 | 115.1 | ||
| 80 | L | 49.7 | Very low | 45.5 | Very low | 145 Ų | 145 | 135.6 Ų | 135.6 | 76% | 0.759 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -100.2 | -8.5 | 177.9 | -75.2 | 165 | 0 | 0 | 0 | 112.9 | ||
| 81 | A | 51.4 | Low | 45.8 | Very low | 61 Ų | 61 | 138.9 Ų | 138.9 | 50% | 0.504 | 71% | 0.712 | S | S | . | * | S | Bend | trans | -86.3 | -16.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 82 | D | 49.8 | Very low | 45.5 | Very low | 130 Ų | 130 | 142.2 Ų | 142.2 | 70% | 0.695 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -4.2 | -172.7 | -75.6 | -22.6 | 0 | 0 | 0 | 115.1 | ||
| 83 | E | 52.4 | Low | 45.6 | Very low | 174 Ų | 174 | 150.7 Ų | 150.7 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | 5.2 | -176.6 | -69.8 | -102.6 | 138.2 | 0 | 0 | 114.4 | ||
| 84 | L | 44.8 | Very low | 45.4 | Very low | 147 Ų | 147 | 155.2 Ų | 155.2 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | trans | -130.7 | 34.9 | -177.1 | -63.8 | 176 | 0 | 0 | 0 | 114.5 | F86 | L84-F86 PolarHBondContact O-N 3.4Š| ||
| 85 | N | 41 | Very low | 45 | Very low | 134 Ų | 134 | 159.3 Ų | 159.3 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | trans | -93.9 | 81.3 | 172 | -91.3 | -45.5 | 0 | 0 | 0 | 111.9 | S87 | N85-S87 PolarHBondContact O-N 2.95Š| ||
| 86 | F | 38.1 | Very low | 44.8 | Very low | 205 Ų | 205 | 161 Ų | 161 | 90% | 0.899 | 77% | 0.769 | S | S | * | * | trans | -82.4 | 91 | 159.7 | -87.4 | -88.4 | 0 | 0 | 0 | 109.3 | L84 | L84-F86 PolarHBondContact O-N 3.4Š| ||
| 87 | S | 39.7 | Very low | 44.2 | Very low | 104 Ų | 104 | 160 Ų | 160 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -79.5 | 110.6 | 171.4 | 53.9 | 0 | 0 | 0 | 0 | 110.9 | N85 | N85-S87 PolarHBondContact O-N 2.95Š| ||
| 88 | D | 44.5 | Very low | 44.1 | Very low | 145 Ų | 145 | 162.6 Ų | 162.6 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | trans | -143.5 | 108.7 | 153.4 | -97.5 | -45.4 | 0 | 0 | 0 | 112.2 | ||||
| 89 | K | 42.7 | Very low | 43.6 | Very low | 193 Ų | 193 | 164 Ų | 164 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | 46 | 88.8 | 148.7 | -70 | 166.4 | -177.4 | 157.6 | 0 | 118.7 | K91 | K89-K91 PolarHBondContact O-N 3.19Š| ||
| 90 | K | 41.8 | Very low | 43.3 | Very low | 202 Ų | 202 | 162 Ų | 162 | 88% | 0.878 | 79% | 0.787 | S | S | * | * | trans | -72.3 | 108.8 | 164.7 | -154.2 | 170.4 | -167.7 | 168.1 | 0 | 111.5 | ||||
| 91 | K | 42.8 | Very low | 42.8 | Very low | 207 Ų | 207 | 161.5 Ų | 161.5 | 90% | 0.9 | 79% | 0.786 | S | S | * | * | trans | -94.9 | 113.5 | 160.2 | -123.1 | 178 | -175.6 | 177 | 0 | 108.4 | K89 R93 | K89-K91 PolarHBondContact O-N 3.19Å; K91-R93 PolarHBondContact O-N 3.32Å | ||
| 92 | K | 39 | Very low | 42.3 | Very low | 193 Ų | 193 | 167.9 Ų | 167.9 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | -68.1 | 119.9 | 177 | -76.9 | 176.4 | 174.4 | 175 | 0 | 110.5 | ||||
| 93 | R | 40.7 | Very low | 41.7 | Very low | 235 Ų | 235 | 168.8 Ų | 168.8 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | trans | -115.9 | 129.8 | 154.8 | -67 | -175.5 | 91.3 | -170 | 4.9 | 108.4 | K91 | K91-R93 PolarHBondContact O-N 3.32Š| ||
| 94 | K | 39.9 | Very low | 40.8 | Very low | 209 Ų | 209 | 164.6 Ų | 164.6 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 128.9 | 177.6 | -66.6 | 177.5 | 176.5 | -179.9 | 0 | 108.6 | ||
| 95 | F | 36 | Very low | 40.5 | Very low | 190 Ų | 190 | 163.5 Ų | 163.5 | 83% | 0.833 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 127.5 | 171.3 | -159.3 | -97.4 | 0 | 0 | 0 | 108.6 | ||
| 96 | K | 42.9 | Very low | 40.3 | Very low | 180 Ų | 180 | 163.4 Ų | 163.4 | 78% | 0.783 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 139.8 | 166.6 | -74.5 | -176.3 | 177.1 | -175.5 | 0 | 107.6 | ||
| 97 | P | 37.2 | Very low | 40.1 | Very low | 109 Ų | 109 | 162.1 Ų | 162.1 | 71% | 0.708 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 140.8 | 180 | 28 | -32 | 0 | 0 | 0 | 110.5 | ||
| 98 | I | 47.4 | Very low | 40.2 | Very low | 142 Ų | 142 | 164.3 Ų | 164.3 | 73% | 0.728 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 117.5 | 172.9 | -64.6 | 168.9 | 0 | 0 | 0 | 106.8 | ||
| 99 | E | 40.5 | Very low | 39.9 | Very low | 164 Ų | 164 | 164.2 Ų | 164.2 | 77% | 0.766 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 130.9 | 168.9 | -66.3 | 175.4 | 178.4 | 0 | 0 | 107.7 | ||
| 100 | V | 46.5 | Very low | 39.5 | Very low | 133 Ų | 133 | 162.4 Ų | 162.4 | 81% | 0.806 | 82% | 0.819 | S | S | * | * | trans | -103.4 | 101.7 | -178.1 | -174.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 101 | D | 39.1 | Very low | 39.5 | Very low | 135 Ų | 135 | 158.4 Ų | 158.4 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | trans | -88.7 | 146.9 | 170.9 | -67.4 | -35.5 | 0 | 0 | 0 | 110.6 | N103 | D101-N103 PolarHBondContact O-N 3.49Š| ||
| 102 | E | 40.8 | Very low | 39.2 | Very low | 195 Ų | 195 | 154.4 Ų | 154.4 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -68.6 | 21.3 | -159.2 | -60.3 | -177.4 | 138.4 | 0 | 0 | 117.7 | ||
| 103 | N | 39 | Very low | 39.5 | Very low | 149 Ų | 149 | 153.7 Ų | 153.7 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -130.9 | 100.2 | -179.3 | -67.2 | -45.5 | 0 | 0 | 0 | 110.9 | D101 V105 | D101-N103 PolarHBondContact O-N 3.49Å; N103-V105 PolarHBondContact O-N 3.32Å |
| 104 | G | 32.3 | Very low | 40 | Very low | 86 Ų | 86 | 150.4 Ų | 150.4 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | trans | -65.1 | 78.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 105 | V | 38.1 | Very low | 40.9 | Very low | 123 Ų | 123 | 146 Ų | 146 | 75% | 0.745 | 79% | 0.794 | S | S | * | * | trans | -140.3 | 101.7 | 161.9 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | N103 | N103-V105 PolarHBondContact O-N 3.32Š| ||
| 106 | C | 37.2 | Very low | 42 | Very low | 132 Ų | 132 | 142.3 Ų | 142.3 | 89% | 0.892 | 79% | 0.787 | S | S | * | * | trans | -90.4 | 105.5 | 171.6 | -60 | 0 | 0 | 0 | 0 | 109.3 | L108 | C106-L108 PolarHBondContact O-N 3.34Š| ||
| 107 | E | 33.3 | Very low | 42.6 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -71.9 | 118 | 169.5 | -75.2 | -171.6 | 150.7 | 0 | 0 | 110.6 | N109 | E107-N109 PolarHBondContact O-N 3.45Š| ||
| 108 | L | 42.2 | Very low | 43.6 | Very low | 150 Ų | 150 | 142.3 Ų | 142.3 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -84 | 103.8 | -176.7 | -164.4 | 100.5 | 0 | 0 | 0 | 110.9 | C106 N110 | C106-L108 PolarHBondContact O-N 3.34Å; L108-N110 PolarHBondContact O-N 3.33Å | ||
| 109 | N | 38.8 | Very low | 44.5 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | -78 | 98.7 | 168.7 | -77.1 | -38.9 | 0 | 0 | 0 | 110.9 | E107 T111 | E107-N109 PolarHBondContact O-N 3.45Å; N109-T111 PolarHBondContact O-N 3.41Å; N109-T111 VanDerWaalsContact O-N 3.1Å | ||
| 110 | N | 33.1 | Very low | 46 | Very low | 154 Ų | 154 | 138 Ų | 138 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 22.6 | 73.5 | 147 | -73.3 | -20.6 | 0 | 0 | 0 | 117.7 | L108 | L108-N110 PolarHBondContact O-N 3.33Š|
| 111 | T | 42.2 | Very low | 47.6 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 72% | 0.724 | 76% | 0.759 | S | S | * | * | trans | -151.8 | 122.9 | 145.3 | 40.8 | 0 | 0 | 0 | 0 | 109.9 | N109 E113 | N109-T111 PolarHBondContact O-N 3.41Å; N109-T111 VanDerWaalsContact O-N 3.1Å; T111-E113 PolarHBondContact O-N 2.83Å | ||
| 112 | S | 37.3 | Very low | 49.7 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 87% | 0.867 | 75% | 0.752 | S | S | * | * | trans | -28.2 | 108.8 | 174 | -56.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 113 | E | 44.6 | Very low | 52.1 | Low | 178 Ų | 178 | 128.3 Ų | 128.3 | 83% | 0.832 | 73% | 0.727 | S | S | * | * | trans | -147.5 | 108.5 | 149.3 | -107.9 | 164.7 | -159.9 | 0 | 0 | 106.9 | T111 I115 | T111-E113 PolarHBondContact O-N 2.83Å; E113-I115 VanDerWaalsContact C-N 3.26Å; E113-I115 PolarHBondContact O-N 2.97Å | ||
| 114 | L | 51.5 | Low | 54.6 | Low | 165 Ų | 165 | 129.5 Ų | 129.5 | 86% | 0.864 | 72% | 0.722 | S | S | * | * | trans | -75.1 | 86.2 | 179.4 | -157.2 | 153.8 | 0 | 0 | 0 | 106.5 | V116 | L114-V116 PolarHBondContact O-N 3.05Š| ||
| 115 | I | 59.6 | Low | 57.5 | Low | 116 Ų | 116 | 132.6 Ų | 132.6 | 60% | 0.595 | 71% | 0.713 | S | S | * | * | trans | -62 | 109.3 | 176.3 | -38.9 | 175.4 | 0 | 0 | 0 | 105.8 | E113 R117 | E113-I115 VanDerWaalsContact C-N 3.26Å; E113-I115 PolarHBondContact O-N 2.97Å; I115-R117 VanDerWaalsContact C-N 3.3Å; I115-R117 PolarHBondContact O-N 3.23Å | ||
| 116 | V | 58.6 | Low | 60 | Low | 114 Ų | 114 | 130 Ų | 130 | 69% | 0.691 | 70% | 0.697 | S | S | * | * | trans | -65 | 95.4 | 176.8 | 179 | 0 | 0 | 0 | 0 | 106.7 | L114 D118 | L114-V116 PolarHBondContact O-N 3.05Å; V116-D118 PolarHBondContact O-N 2.94Å; V116-D118 VanDerWaalsContact O-N 3.17Å | ||
| 117 | R | 55.6 | Low | 62.6 | Low | 177 Ų | 177 | 127.6 Ų | 127.6 | 67% | 0.668 | 68% | 0.675 | S | S | * | * | trans | -75.8 | 99.3 | 170.7 | -61.5 | 179.3 | 86.7 | -176.1 | 4.9 | 106.3 | I115 | I115-R117 VanDerWaalsContact C-N 3.3Å; I115-R117 PolarHBondContact O-N 3.23Å | ||
| 118 | D | 57.1 | Low | 65.5 | Low | 112 Ų | 112 | 122.3 Ų | 122.3 | 60% | 0.599 | 65% | 0.652 | S | S | * | * | trans | -56.1 | 149.6 | 166.3 | -79.5 | -15.1 | 0 | 0 | 0 | 108.9 | V116 S120 G121 | V116-D118 PolarHBondContact O-N 2.94Å; V116-D118 VanDerWaalsContact O-N 3.17Å; D118-S120 PolarHBondContact O-N 3.27Å; D118-G121 PolarHBondContact O-N 3.16Å | ||
| 119 | S | 67.3 | Low | 67.8 | Low | 142 Ų | 142 | 119.8 Ų | 119.8 | 99% | 0.993 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | -6 | -170.3 | -47.9 | 0 | 0 | 0 | 0 | 116.1 | ||
| 120 | S | 71.5 | Confident | 70.4 | Confident | 74 Ų | 74 | 120.5 Ų | 120.5 | 52% | 0.517 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.9 | -9.2 | 175.1 | 58.5 | 0 | 0 | 0 | 0 | 114.2 | D118 Y122 | D118-S120 PolarHBondContact O-N 3.27Å; S120-Y122 VanDerWaalsContact C-N 3.25Å; S120-Y122 VanDerWaalsContact O-CD2 3.25Å; S120-Y122 WeakPolarHBondContact O-CD2 3.48Å; S120-Y122 PolarHBondContact O-N 2.75Å |
| 121 | G | 79.5 | Confident | 73.2 | Confident | 42 Ų | 42 | 117.1 Ų | 117.1 | 43% | 0.433 | 62% | 0.62 | S | S | . | * | trans | 72 | 8.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116 | D118 | D118-G121 PolarHBondContact O-N 3.16Š| ||
| 122 | Y | 84.9 | Confident | 75.4 | Confident | 143 Ų | 143 | 117.4 Ų | 117.4 | 56% | 0.561 | 61% | 0.611 | S | S | * | * | trans | -98.7 | 133.1 | 177.2 | -63.4 | -71.7 | 0 | 0 | 0 | 111.5 | S120 L127 | S120-Y122 VanDerWaalsContact C-N 3.25Å; S120-Y122 VanDerWaalsContact O-CD2 3.25Å; S120-Y122 WeakPolarHBondContact O-CD2 3.48Å; S120-Y122 PolarHBondContact O-N 2.75Å; Y122-L127 VanDerWaalsContact CB-CD1 3.44Å | ||
| 123 | D | 89.5 | Confident | 77.9 | Confident | 74 Ų | 74 | 114 Ų | 114 | 40% | 0.396 | 59% | 0.591 | S | S | . | * | trans | -77.4 | 140.6 | 175.2 | -57.6 | -38.9 | 0 | 0 | 0 | 110.3 | E125 T126 L127 | D123-E125 PolarHBondContact O-N 3.26Å; D123-T126 HydrophobicContact CB-CG2 4.24Å; D123-T126 PolarHBondContact N-OG1 3.49Å; D123-T126 WeakPolarHBondContact O-CA 3.3Å; D123-T126 WeakPolarHBondContact O-CB 3.43Å; D123-T126 PolarHBondContact O-N 2.99Å; D123-T126 PolarHBondContact O-OG1 3.12Å; D123-L127 VanDerWaalsContact O-CD1 3.29Å; D123-L127 WeakPolarHBondContact O-CD1 3.32Å; D123-L127 PolarHBondContact O-N 3.42Å | ||
| 124 | Y | 92.6 | Very high | 80.1 | Confident | 174 Ų | 174 | 110 Ų | 110 | 68% | 0.682 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -45.9 | -42.9 | -177.6 | 171.4 | -101.9 | 0 | 0 | 0 | 113.7 | T126 L127 L128 | Y124-T126 VanDerWaalsContact C-N 3.31Å; Y124-T126 PolarHBondContact O-N 2.86Å; Y124-L127 PolarHBondContact O-N 3.41Å; Y124-L128 HydrophobicContact CE1-CD2 4.18Å; Y124-L128 WeakPolarHBondContact O-CB 3.47Å; Y124-L128 PolarHBondContact O-N 3.45Å |
| 125 | E | 92.6 | Very high | 81.7 | Confident | 151 Ų | 151 | 104.9 Ų | 104.9 | 71% | 0.706 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.4 | -36 | 179.8 | -59.2 | -173.3 | 168.9 | 0 | 0 | 112.7 | D123 L128 T129 | D123-E125 PolarHBondContact O-N 3.26Å; E125-L128 PolarHBondContact O-N 2.98Å; E125-T129 WeakPolarHBondContact O-CB 3.34Å; E125-T129 PolarHBondContact O-N 3.17Å; E125-T129 PolarHBondContact O-OG1 3.02Å |
| 126 | T | 91 | Very high | 82.9 | Confident | 67 Ų | 67 | 100.6 Ų | 100.6 | 41% | 0.411 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70 | -40.4 | 177.8 | 67.9 | 0 | 0 | 0 | 0 | 111.7 | D123 Y124 R130 | D123-T126 HydrophobicContact CB-CG2 4.24Å; D123-T126 PolarHBondContact N-OG1 3.49Å; D123-T126 WeakPolarHBondContact O-CA 3.3Å; D123-T126 WeakPolarHBondContact O-CB 3.43Å; D123-T126 PolarHBondContact O-N 2.99Å; D123-T126 PolarHBondContact O-OG1 3.12Å; Y124-T126 VanDerWaalsContact C-N 3.31Å; Y124-T126 PolarHBondContact O-N 2.86Å; T126-R130 PolarHBondContact O-N 3.43Å; T126-R130 VanDerWaalsContact O-N 3.1Å |
| 127 | L | 92 | Very high | 84.1 | Confident | 83 Ų | 83 | 101.6 Ų | 101.6 | 44% | 0.435 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 174.4 | -71.1 | 103.5 | 0 | 0 | 0 | 111 | Y122 D123 Y124 R130 V131 | Y122-L127 VanDerWaalsContact CB-CD1 3.44Å; D123-L127 VanDerWaalsContact O-CD1 3.29Å; D123-L127 WeakPolarHBondContact O-CD1 3.32Å; D123-L127 PolarHBondContact O-N 3.42Å; Y124-L127 PolarHBondContact O-N 3.41Å; L127-R130 WeakPolarHBondContact O-CB 3.21Å; L127-R130 PolarHBondContact O-N 2.8Å; L127-V131 WeakPolarHBondContact O-CG2 3.35Å; L127-V131 PolarHBondContact O-N 2.99Å |
| 128 | L | 93 | Very high | 85.3 | Confident | 66 Ų | 66 | 99.5 Ų | 99.5 | 35% | 0.346 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 179.7 | -173.5 | 63.4 | 0 | 0 | 0 | 111.4 | Y124 E125 R130 V131 F132 | Y124-L128 HydrophobicContact CE1-CD2 4.18Å; Y124-L128 WeakPolarHBondContact O-CB 3.47Å; Y124-L128 PolarHBondContact O-N 3.45Å; E125-L128 PolarHBondContact O-N 2.98Å; L128-R130 VanDerWaalsContact C-N 3.28Å; L128-R130 PolarHBondContact O-N 3.47Å; L128-V131 PolarHBondContact O-N 2.92Å; L128-V131 VanDerWaalsContact O-N 3.16Å; L128-F132 HydrophobicContact CD1-CD2 3.99Å; L128-F132 HydrophobicContact CD1-CE2 3.47Å; L128-F132 VanDerWaalsContact CD1-CE2 3.47Å; L128-F132 HydrophobicContact CD1-CZ 4.34Å; L128-F132 HydrophobicContact CD2-CE2 4.14Å; L128-F132 HydrophobicContact CG-CD2 3.86Å; L128-F132 HydrophobicContact CG-CE2 3.59Å; L128-F132 VanDerWaalsContact O-CD2 3.27Å; L128-F132 WeakPolarHBondContact O-CD2 3.34Å; L128-F132 PolarHBondContact O-N 3.06Å |
| 129 | T | 92.3 | Very high | 86.2 | Confident | 98 Ų | 98 | 96.5 Ų | 96.5 | 60% | 0.601 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.2 | -41.9 | 175.8 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | E125 F132 A133 | E125-T129 WeakPolarHBondContact O-CB 3.34Å; E125-T129 PolarHBondContact O-N 3.17Å; E125-T129 PolarHBondContact O-OG1 3.02Å; T129-F132 PolarHBondContact O-N 3.31Å; T129-A133 WeakPolarHBondContact O-CB 3.01Å; T129-A133 PolarHBondContact O-N 3.46Å |
| 130 | R | 92.2 | Very high | 86.7 | Confident | 158 Ų | 158 | 94 Ų | 94 | 60% | 0.596 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.9 | -42.2 | 176.1 | -174.7 | -179.5 | -179.8 | 177.3 | 2.4 | 112.5 | T126 L127 L128 A133 Q134 | T126-R130 PolarHBondContact O-N 3.43Å; T126-R130 VanDerWaalsContact O-N 3.1Å; L127-R130 WeakPolarHBondContact O-CB 3.21Å; L127-R130 PolarHBondContact O-N 2.8Å; L128-R130 VanDerWaalsContact C-N 3.28Å; L128-R130 PolarHBondContact O-N 3.47Å; R130-A133 PolarHBondContact O-N 2.96Å; R130-Q134 WeakPolarHBondContact O-CG 3.41Å; R130-Q134 PolarHBondContact O-N 3.04Å |
| 131 | V | 92 | Very high | 86.4 | Confident | 84 Ų | 84 | 95.3 Ų | 95.3 | 51% | 0.509 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64 | -43.3 | 177.9 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | L127 L128 Q134 L135 | L127-V131 WeakPolarHBondContact O-CG2 3.35Å; L127-V131 PolarHBondContact O-N 2.99Å; L128-V131 PolarHBondContact O-N 2.92Å; L128-V131 VanDerWaalsContact O-N 3.16Å; V131-Q134 PolarHBondContact O-N 2.73Å; V131-L135 WeakPolarHBondContact O-CB 3.32Å; V131-L135 PolarHBondContact O-N 2.98Å |
| 132 | F | 89.4 | Confident | 85.9 | Confident | 123 Ų | 123 | 96.6 Ų | 96.6 | 54% | 0.539 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67 | -37.2 | 177.2 | -77.9 | -64.7 | 0 | 0 | 0 | 113 | L128 T129 L135 G136 | L128-F132 HydrophobicContact CD1-CD2 3.99Å; L128-F132 HydrophobicContact CD1-CE2 3.47Å; L128-F132 VanDerWaalsContact CD1-CE2 3.47Å; L128-F132 HydrophobicContact CD1-CZ 4.34Å; L128-F132 HydrophobicContact CD2-CE2 4.14Å; L128-F132 HydrophobicContact CG-CD2 3.86Å; L128-F132 HydrophobicContact CG-CE2 3.59Å; L128-F132 VanDerWaalsContact O-CD2 3.27Å; L128-F132 WeakPolarHBondContact O-CD2 3.34Å; L128-F132 PolarHBondContact O-N 3.06Å; T129-F132 PolarHBondContact O-N 3.31Å; F132-L135 HydrophobicContact CD1-CD2 4.42Å; F132-L135 PolarHBondContact O-N 3.37Å; F132-G136 PolarHBondContact O-N 3.39Å |
| 133 | A | 90.1 | Very high | 85.1 | Confident | 54 Ų | 54 | 93.6 Ų | 93.6 | 45% | 0.446 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.8 | -49.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | T129 R130 L135 G136 D137 | T129-A133 WeakPolarHBondContact O-CB 3.01Å; T129-A133 PolarHBondContact O-N 3.46Å; R130-A133 PolarHBondContact O-N 2.96Å; A133-L135 VanDerWaalsContact C-N 3.32Å; A133-L135 PolarHBondContact O-N 3.01Å; A133-G136 PolarHBondContact O-N 2.95Å; A133-D137 PolarHBondContact O-N 3.37Å |
| 134 | Q | 89.7 | Confident | 84 | Confident | 93 Ų | 93 | 92.9 Ų | 92.9 | 44% | 0.435 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.2 | -37 | 176.3 | -71.9 | -179.5 | -19.1 | 0 | 0 | 113 | R130 V131 G136 D137 L138 | R130-Q134 WeakPolarHBondContact O-CG 3.41Å; R130-Q134 PolarHBondContact O-N 3.04Å; V131-Q134 PolarHBondContact O-N 2.73Å; Q134-G136 VanDerWaalsContact C-N 3.34Å; Q134-D137 PolarHBondContact O-N 3.43Å; Q134-L138 WeakPolarHBondContact O-CB 3.36Å; Q134-L138 WeakPolarHBondContact O-CG 2.97Å; Q134-L138 PolarHBondContact O-N 3.16Å |
| 135 | L | 86.1 | Confident | 82.6 | Confident | 58 Ų | 58 | 92.4 Ų | 92.4 | 30% | 0.304 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66 | -39.3 | 177.2 | -173.1 | 62.5 | 0 | 0 | 0 | 111.4 | V131 F132 A133 N139 L142 V143 | V131-L135 WeakPolarHBondContact O-CB 3.32Å; V131-L135 PolarHBondContact O-N 2.98Å; F132-L135 HydrophobicContact CD1-CD2 4.42Å; F132-L135 PolarHBondContact O-N 3.37Å; A133-L135 VanDerWaalsContact C-N 3.32Å; A133-L135 PolarHBondContact O-N 3.01Å; L135-N139 CarbonylContact O-C 3.3Å; L135-N139 VanDerWaalsContact O-C 3.3Å; L135-N139 WeakPolarHBondContact O-CA 3.47Å; L135-N139 PolarHBondContact O-N 2.76Å; L135-L142 HydrophobicContact CD1-CB 4.38Å; L135-L142 HydrophobicContact CD1-CD1 3.79Å; L135-V143 HydrophobicContact CG-CG2 4.26Å |
| 136 | G | 83.2 | Confident | 81.3 | Confident | 25 Ų | 25 | 93 Ų | 93 | 26% | 0.258 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F132 A133 Q134 P140 | F132-G136 PolarHBondContact O-N 3.39Å; A133-G136 PolarHBondContact O-N 2.95Å; Q134-G136 VanDerWaalsContact C-N 3.34Å; G136-P140 WeakPolarHBondContact O-CA 3.38Å |
| 137 | D | 84.2 | Confident | 80 | Confident | 135 Ų | 135 | 98.2 Ų | 98.2 | 72% | 0.722 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.2 | -46.7 | 179.9 | -65.8 | -24.1 | 0 | 0 | 0 | 112.4 | A133 Q134 | A133-D137 PolarHBondContact O-N 3.37Å; Q134-D137 PolarHBondContact O-N 3.43Å |
| 138 | L | 80.9 | Confident | 78.7 | Confident | 134 Ų | 134 | 96.8 Ų | 96.8 | 70% | 0.702 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -79.7 | -31.6 | -175.4 | -65.3 | 176.5 | 0 | 0 | 0 | 112.8 | Q134 | Q134-L138 WeakPolarHBondContact O-CB 3.36Å; Q134-L138 WeakPolarHBondContact O-CG 2.97Å; Q134-L138 PolarHBondContact O-N 3.16Å |
| 139 | N | 76.3 | Confident | 77.5 | Confident | 49 Ų | 49 | 102.1 Ų | 102.1 | 26% | 0.262 | 53% | 0.527 | S | S | . | . | trans | -146.3 | 74.3 | -173.5 | -65.1 | -82 | 0 | 0 | 0 | 110.7 | L135 E141 L142 | L135-N139 CarbonylContact O-C 3.3Å; L135-N139 VanDerWaalsContact O-C 3.3Å; L135-N139 WeakPolarHBondContact O-CA 3.47Å; L135-N139 PolarHBondContact O-N 2.76Å; N139-E141 PolarHBondContact O-N 2.87Å; N139-L142 HydrophobicContact CB-CB 4.13Å; N139-L142 HydrophobicContact CB-CD1 3.58Å; N139-L142 HydrophobicContact CB-CG 3.95Å; N139-L142 PolarHBondContact O-N 3.16Å | ||
| 140 | P | 76.8 | Confident | 76.6 | Confident | 89 Ų | 89 | 100.2 Ų | 100.2 | 58% | 0.578 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.6 | -26.6 | 179 | 23.8 | -34.4 | 0 | 0 | 0 | 112.3 | G136 L142 V143 S144 | G136-P140 WeakPolarHBondContact O-CA 3.38Å; P140-L142 VanDerWaalsContact C-N 3.27Å; P140-L142 PolarHBondContact O-N 3.29Å; P140-V143 PolarHBondContact O-N 2.8Å; P140-S144 PolarHBondContact O-OG 3.02Å |
| 141 | E | 66.5 | Low | 75.9 | Confident | 102 Ų | 102 | 99.1 Ų | 99.1 | 48% | 0.477 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.2 | -14.2 | 176.4 | -62.1 | -168.1 | 176.1 | 0 | 0 | 114.5 | N139 R148 R252 | N139-E141 PolarHBondContact O-N 2.87Å; E141-R148 PolarHBondContact O-NE 2.94Å; E141-R148 PolarHBondContact O-NH2 3.04Å; E141-R252 IonicContact OE2-CZ 2.82Å; E141-R252 IonicContact OE2-NH1 3.64Å; E141-R252 PolarHBondContact OE2-NH1 3.33Å; E141-R252 IonicContact OE2-NH2 2.8Å; E141-R252 PolarHBondContact OE2-NH2 3.37Å |
| 142 | L | 69.5 | Low | 75.4 | Confident | 69 Ų | 69 | 98 Ų | 98 | 36% | 0.361 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -86.5 | -28.6 | 176.4 | -79.1 | 170 | 0 | 0 | 0 | 111.7 | L135 N139 P140 | L135-L142 HydrophobicContact CD1-CB 4.38Å; L135-L142 HydrophobicContact CD1-CD1 3.79Å; N139-L142 HydrophobicContact CB-CB 4.13Å; N139-L142 HydrophobicContact CB-CD1 3.58Å; N139-L142 HydrophobicContact CB-CG 3.95Å; N139-L142 PolarHBondContact O-N 3.16Å; P140-L142 VanDerWaalsContact C-N 3.27Å; P140-L142 PolarHBondContact O-N 3.29Å |
| 143 | V | 67.8 | Low | 75.2 | Confident | 79 Ų | 79 | 94.6 Ų | 94.6 | 48% | 0.479 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -81.5 | -25.2 | -177.1 | -178.2 | 0 | 0 | 0 | 0 | 111.9 | L135 P140 D145 | L135-V143 HydrophobicContact CG-CG2 4.26Å; P140-V143 PolarHBondContact O-N 2.8Å; V143-D145 PolarHBondContact O-N 3.31Å |
| 144 | S | 67 | Low | 75.3 | Confident | 59 Ų | 59 | 96.3 Ų | 96.3 | 41% | 0.413 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -76.3 | 110.3 | 171.1 | 45.4 | 0 | 0 | 0 | 0 | 109.7 | P140 Q146 | P140-S144 PolarHBondContact O-OG 3.02Å; S144-Q146 PolarHBondContact O-N 2.71Å |
| 145 | D | 62.4 | Low | 75.4 | Confident | 165 Ų | 165 | 92.3 Ų | 92.3 | 88% | 0.882 | 49% | 0.491 | S | S | * | . | trans | -58.7 | 8.5 | 175.7 | -72.5 | -45.2 | 0 | 0 | 0 | 115 | V143 K147 | V143-D145 PolarHBondContact O-N 3.31Å; D145-K147 PolarHBondContact O-N 2.86Å | ||
| 146 | Q | 65.3 | Low | 75.8 | Confident | 164 Ų | 164 | 94.5 Ų | 94.5 | 77% | 0.766 | 50% | 0.5 | S | S | * | . | trans | -70.2 | 107.7 | 174.8 | -62.3 | -169.8 | 4.4 | 0 | 0 | 109 | S144 R148 | S144-Q146 PolarHBondContact O-N 2.71Å; Q146-R148 PolarHBondContact O-N 2.81Å | ||
| 147 | K | 63.8 | Low | 76.3 | Confident | 176 Ų | 176 | 95.1 Ų | 95.1 | 77% | 0.765 | 50% | 0.497 | S | S | * | . | trans | -44.8 | 110.4 | 169.6 | -70 | -179.9 | -179.1 | 178.1 | 0 | 109 | D145 K149 | D145-K147 PolarHBondContact O-N 2.86Å; K147-K149 PolarHBondContact O-N 2.87Å | ||
| 148 | R | 64.3 | Low | 76.8 | Confident | 52 Ų | 52 | 90.5 Ų | 90.5 | 20% | 0.196 | 48% | 0.477 | C | S | . | . | trans | -60.4 | 99.9 | -178.1 | -66.5 | 177.6 | -177.9 | 164.4 | -8 | 109.3 | E141 Q146 C232 R252 | E141-R148 PolarHBondContact O-NE 2.94Å; E141-R148 PolarHBondContact O-NH2 3.04Å; Q146-R148 PolarHBondContact O-N 2.81Å; R148-C232 PolarHBondContact NH1-O 3.24Å; R148-R252 VanDerWaalsContact CZ-NH1 3.25Å | ||
| 149 | K | 67.6 | Low | 77.3 | Confident | 179 Ų | 179 | 93 Ų | 93 | 78% | 0.778 | 48% | 0.477 | S | S | * | . | trans | -87.1 | 116.9 | 173.1 | -70.8 | 177.6 | -174.6 | 174.1 | 0 | 107.2 | K147 V151 | K147-K149 PolarHBondContact O-N 2.87Å; K149-V151 PolarHBondContact O-N 3.16Å; K149-V151 VanDerWaalsContact O-N 3.07Å | ||
| 150 | L | 72.7 | Confident | 78 | Confident | 57 Ų | 57 | 93.9 Ų | 93.9 | 30% | 0.298 | 48% | 0.484 | S | S | . | . | trans | -62.7 | 112.8 | 166.6 | -59.5 | -173.8 | 0 | 0 | 0 | 108.6 | M152 C223 V227 L228 S235 | L150-M152 PolarHBondContact O-N 3.02Å; L150-C223 HydrophobicContact CD1-CB 4.47Å; L150-V227 HydrophobicContact CD1-CG1 4.18Å; L150-L228 HydrophobicContact CD1-CD1 4.1Å; L150-L228 HydrophobicContact CD1-CD2 3.38Å; L150-L228 HydrophobicContact CD1-CG 3.61Å; L150-L228 HydrophobicContact CD2-CD2 4.01Å; L150-L228 HydrophobicContact CG-CD2 3.66Å; L150-L228 HydrophobicContact CG-CG 4.32Å; L150-S235 VanDerWaalsContact CD2-CB 3.42Å; L150-S235 WeakPolarHBondContact CD2-OG 3.21Å | ||
| 151 | V | 78.8 | Confident | 78.7 | Confident | 136 Ų | 136 | 92.6 Ų | 92.6 | 82% | 0.824 | 49% | 0.487 | S | S | * | . | trans | -79 | 102.9 | 170.3 | -178 | 0 | 0 | 0 | 0 | 107 | K149 | K149-V151 PolarHBondContact O-N 3.16Å; K149-V151 VanDerWaalsContact O-N 3.07Å | ||
| 152 | M | 80.6 | Confident | 79.9 | Confident | 59 Ų | 59 | 92.5 Ų | 92.5 | 29% | 0.291 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -93.1 | 140.8 | 178.1 | -172.3 | -178.6 | 69.7 | 0 | 0 | 110.1 | L150 L219 | L150-M152 PolarHBondContact O-N 3.02Å; M152-L219 HydrophobicContact CE-CB 4.13Å; M152-L219 HydrophobicContact CE-CD1 4.18Å; M152-L219 HydrophobicContact SD-CB 3.94Å; M152-L219 HydrophobicContact SD-CD1 4.22Å |
| 153 | V | 86.7 | Confident | 81 | Confident | 52 Ų | 52 | 97.1 Ų | 97.1 | 32% | 0.315 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 132.8 | 170 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | I173 | V153-I173 HydrophobicContact CB-CG1 4.35Š|
| 154 | P | 90.4 | Very high | 82.2 | Confident | 91 Ų | 91 | 99 Ų | 99 | 59% | 0.591 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -63 | 136.4 | -179 | 24.5 | -34.1 | 0 | 0 | 0 | 111.7 | Q156 | P154-Q156 PolarHBondContact O-N 2.97Š|
| 155 | P | 92.9 | Very high | 83.6 | Confident | 9 Ų | 9 | 96.2 Ų | 96.2 | 6% | 0.058 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 122.1 | -178.3 | 28.3 | -33.1 | 0 | 0 | 0 | 111.5 | F167 E216 L219 | P155-F167 HydrophobicContact CB-CE2 3.79Å; P155-F167 HydrophobicContact CB-CZ 3.73Å; P155-E216 HydrophobicContact CG-CG 3.59Å; P155-L219 HydrophobicContact CB-CD1 4.04Å; P155-L219 HydrophobicContact CG-CD1 4.36Å |
| 156 | Q | 93.6 | Very high | 85.2 | Confident | 104 Ų | 104 | 90 Ų | 90 | 49% | 0.486 | 46% | 0.46 | S | S | . | . | trans | -96.9 | 113.1 | 176.4 | -68.7 | -175.5 | -19.6 | 0 | 0 | 111.1 | P154 F167 V168 N169 | P154-Q156 PolarHBondContact O-N 2.97Å; Q156-F167 WeakPolarHBondContact O-CD2 3.3Å; Q156-V168 HydrophobicContact CB-CB 4.46Å; Q156-V168 PolarHBondContact O-N 3.34Å; Q156-N169 WeakPolarHBondContact CG-ND2 3.48Å; Q156-N169 PolarHBondContact OE1-ND2 3.09Å; Q156-N169 PolarHBondContact OE1-OD1 2.82Å | ||
| 157 | M | 94 | Very high | 86.6 | Confident | 37 Ų | 37 | 82.2 Ų | 82.2 | 18% | 0.182 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 117 | 178.9 | -58.2 | -60.1 | -66.9 | 0 | 0 | 109.9 | T165 F167 M215 | M157-T165 HydrophobicContact CB-CG2 4.15Å; M157-T165 HydrophobicContact CE-CG2 3.47Å; M157-T165 VanDerWaalsContact CE-CG2 3.47Å; M157-F167 HydrophobicContact CE-CB 4.13Å; M157-F167 HydrophobicContact SD-CB 3.75Å; M157-F167 HydrophobicContact SD-CD1 4.19Å; M157-F167 HydrophobicContact SD-CD2 3.84Å; M157-F167 HydrophobicContact SD-CE2 4.48Å; M157-F167 HydrophobicContact SD-CG 3.67Å; M157-M215 HydrophobicContact CE-CE 3.77Å; M157-M215 HydrophobicContact CE-CG 3.92Å; M157-M215 HydrophobicContact CE-SD 4.43Å; M157-M215 HydrophobicContact CG-CG 4.19Å; M157-M215 HydrophobicContact SD-CG 3.75Å |
| 158 | A | 94 | Very high | 88.1 | Confident | 38 Ų | 38 | 76.7 Ų | 76.7 | 31% | 0.314 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 146.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | T165 L166 V168 | A158-T165 CarbonylContact O-C 3.44Å; A158-T165 VanDerWaalsContact O-CG2 3.28Å; A158-T165 WeakPolarHBondContact O-CG2 3.35Å; A158-L166 HydrophobicContact CB-CB 4.4Å; A158-L166 PolarHBondContact N-O 3.2Å; A158-L166 PolarHBondContact O-N 3.06Å; A158-V168 HydrophobicContact CB-CG2 3.77Å |
| 159 | R | 92 | Very high | 89.4 | Confident | 188 Ų | 188 | 75.7 Ų | 75.7 | 71% | 0.709 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 129 | 176.6 | -68 | -178.2 | 179.2 | 166.9 | 0.8 | 109.8 | ||
| 160 | V | 91.8 | Very high | 90.8 | Very high | 66 Ų | 66 | 67.1 Ų | 67.1 | 40% | 0.4 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 90.9 | 173.8 | 179.4 | 0 | 0 | 0 | 0 | 107.4 | K164 L166 | V160-K164 CarbonylContact C-O 3.46Å; V160-K164 PolarHBondContact N-O 2.87Å; V160-K164 WeakPolarHBondContact O-CB 3.33Å; V160-L166 HydrophobicContact CG2-CB 3.59Å; V160-L166 HydrophobicContact CG2-CD2 4.18Å; V160-L166 HydrophobicContact CG2-CG 4.44Å |
| 161 | G | 91.2 | Very high | 91.8 | Very high | 63 Ų | 63 | 65.2 Ų | 65.2 | 65% | 0.649 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | -157.6 | -173 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 162 | T | 91.7 | Very high | 92.5 | Very high | 99 Ų | 99 | 61.8 Ų | 61.8 | 61% | 0.607 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -24.5 | -167.4 | -45.5 | 0 | 0 | 0 | 0 | 114.4 | R209 | T162-R209 PolarHBondContact O-NE 2.85Š|
| 163 | K | 91.6 | Very high | 93.1 | Very high | 167 Ų | 167 | 59.1 Ų | 59.1 | 73% | 0.726 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.7 | 3.8 | -170 | -64.3 | -178.5 | -179.4 | 176.1 | 0 | 113.7 | G208 | K163-G208 CarbonylContact C-O 3.59Å; K163-G208 PolarHBondContact O-N 2.82Å |
| 164 | K | 94.6 | Very high | 93.5 | Very high | 117 Ų | 117 | 56.7 Ų | 56.7 | 51% | 0.509 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 143.1 | 178.6 | -50.6 | 176.6 | -179.6 | 175.9 | 0 | 109.8 | V160 I206 G208 | V160-K164 CarbonylContact C-O 3.46Å; V160-K164 PolarHBondContact N-O 2.87Å; V160-K164 WeakPolarHBondContact O-CB 3.33Å; K164-I206 WeakPolarHBondContact CA-O 3.27Å; K164-G208 CarbonylContact C-O 3.57Å |
| 165 | T | 95.5 | Very high | 93.6 | Very high | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.012 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 135.4 | 174.1 | -47.9 | 0 | 0 | 0 | 0 | 108.2 | M157 A158 I206 G208 Y210 | M157-T165 HydrophobicContact CB-CG2 4.15Å; M157-T165 HydrophobicContact CE-CG2 3.47Å; M157-T165 VanDerWaalsContact CE-CG2 3.47Å; A158-T165 CarbonylContact O-C 3.44Å; A158-T165 VanDerWaalsContact O-CG2 3.28Å; A158-T165 WeakPolarHBondContact O-CG2 3.35Å; T165-I206 PolarHBondContact N-O 3.18Å; T165-I206 PolarHBondContact O-N 2.94Å; T165-G208 PolarHBondContact N-O 3Å; T165-G208 PolarHBondContact OG1-O 2.94Å; T165-Y210 WeakPolarHBondContact CG2-O 3.36Å; T165-Y210 PolarHBondContact OG1-N 2.65Å |
| 166 | L | 95.2 | Very high | 93.6 | Very high | 34 Ų | 34 | 63.8 Ų | 63.8 | 18% | 0.178 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 126.1 | 176.1 | -177.7 | 73.1 | 0 | 0 | 0 | 109.2 | A158 V160 V168 A203 L205 | A158-L166 HydrophobicContact CB-CB 4.4Å; A158-L166 PolarHBondContact N-O 3.2Å; A158-L166 PolarHBondContact O-N 3.06Å; V160-L166 HydrophobicContact CG2-CB 3.59Å; V160-L166 HydrophobicContact CG2-CD2 4.18Å; V160-L166 HydrophobicContact CG2-CG 4.44Å; L166-V168 HydrophobicContact CD2-CG2 4.2Å; L166-V168 HydrophobicContact CG-CG2 4.39Å; L166-A203 HydrophobicContact CD1-CB 3.58Å; L166-A203 HydrophobicContact CD2-CB 4.46Å; L166-A203 HydrophobicContact CG-CB 4.06Å; L166-L205 HydrophobicContact CB-CD2 4.33Å; L166-L205 HydrophobicContact CD1-CD2 3.5Å; L166-L205 HydrophobicContact CD1-CG 3.75Å |
| 167 | F | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 102.6 | 169.5 | -171.6 | 176.2 | 0 | 0 | 0 | 108.6 | P155 Q156 M157 F170 I173 I188 A203 L204 L219 | P155-F167 HydrophobicContact CB-CE2 3.79Å; P155-F167 HydrophobicContact CB-CZ 3.73Å; Q156-F167 WeakPolarHBondContact O-CD2 3.3Å; M157-F167 HydrophobicContact CE-CB 4.13Å; M157-F167 HydrophobicContact SD-CB 3.75Å; M157-F167 HydrophobicContact SD-CD1 4.19Å; M157-F167 HydrophobicContact SD-CD2 3.84Å; M157-F167 HydrophobicContact SD-CE2 4.48Å; M157-F167 HydrophobicContact SD-CG 3.67Å; F167-F170 HydrophobicContact CD1-CB 4.26Å; F167-F170 AromaticContact CD1-CD2 3.93Å; F167-F170 HydrophobicContact CD1-CD2 3.93Å; F167-F170 HydrophobicContact CD2-CB 4.45Å; F167-F170 HydrophobicContact CE1-CD2 4.04Å; F167-F170 HydrophobicContact CG-CB 4.15Å; F167-I173 HydrophobicContact CE2-CD1 3.73Å; F167-I173 HydrophobicContact CZ-CD1 3.43Å; F167-I173 VanDerWaalsContact CZ-CD1 3.43Å; F167-I188 HydrophobicContact CE1-CD1 4.46Å; F167-A203 CarbonylContact O-C 3.48Å; F167-A203 VanDerWaalsContact O-CA 3.3Å; F167-A203 WeakPolarHBondContact O-CA 3.44Å; F167-A203 WeakPolarHBondContact O-CB 3.45Å; F167-L204 HydrophobicContact CB-CB 4.13Å; F167-L204 PolarHBondContact N-O 3.33Å; F167-L204 PolarHBondContact O-N 3.15Å; F167-L219 HydrophobicContact CE1-CD1 4.29Å; F167-L219 HydrophobicContact CZ-CD1 4.01Å |
| 168 | V | 94.6 | Very high | 93.4 | Very high | 61 Ų | 61 | 62.1 Ų | 62.1 | 37% | 0.37 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -52.3 | -170.4 | -176.6 | 0 | 0 | 0 | 0 | 111.4 | Q156 A158 L166 F170 | Q156-V168 HydrophobicContact CB-CB 4.46Å; Q156-V168 PolarHBondContact O-N 3.34Å; A158-V168 HydrophobicContact CB-CG2 3.77Å; L166-V168 HydrophobicContact CD2-CG2 4.2Å; L166-V168 HydrophobicContact CG-CG2 4.39Å; V168-F170 PolarHBondContact O-N 3.26Å; V168-F170 VanDerWaalsContact O-N 3.1Å |
| 169 | N | 93.2 | Very high | 93.4 | Very high | 30 Ų | 30 | 61.2 Ų | 61.2 | 16% | 0.16 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 25.1 | -173.2 | -66.9 | -3.8 | 0 | 0 | 0 | 114.3 | Q156 T172 I173 | Q156-N169 WeakPolarHBondContact CG-ND2 3.48Å; Q156-N169 PolarHBondContact OE1-ND2 3.09Å; Q156-N169 PolarHBondContact OE1-OD1 2.82Å; N169-T172 PolarHBondContact O-N 2.75Å; N169-I173 WeakPolarHBondContact O-CG1 3.27Å; N169-I173 PolarHBondContact O-N 2.8Å; N169-I173 VanDerWaalsContact O-N 3.14Å |
| 170 | F | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.9 | -48.9 | -174.2 | 178.7 | -106.1 | 0 | 0 | 0 | 112.3 | F167 V168 T172 I173 C174 Q181 L184 T185 I188 V198 L204 | F167-F170 HydrophobicContact CD1-CB 4.26Å; F167-F170 AromaticContact CD1-CD2 3.93Å; F167-F170 HydrophobicContact CD1-CD2 3.93Å; F167-F170 HydrophobicContact CD2-CB 4.45Å; F167-F170 HydrophobicContact CE1-CD2 4.04Å; F167-F170 HydrophobicContact CG-CB 4.15Å; V168-F170 PolarHBondContact O-N 3.26Å; V168-F170 VanDerWaalsContact O-N 3.1Å; F170-T172 PolarHBondContact O-N 2.96Å; F170-I173 PolarHBondContact O-N 2.9Å; F170-C174 VanDerWaalsContact CZ-SG 3.6Å; F170-C174 PolarHBondContact O-N 3.25Å; F170-C174 PolarHBondContact O-SG 3.24Å; F170-Q181 HydrophobicContact CE1-CB 4.07Å; F170-Q181 HydrophobicContact CE1-CG 4.37Å; F170-L184 HydrophobicContact CD2-CD2 4.36Å; F170-L184 HydrophobicContact CE2-CB 4.28Å; F170-L184 HydrophobicContact CE2-CD2 3.58Å; F170-L184 HydrophobicContact CE2-CG 3.75Å; F170-L184 HydrophobicContact CZ-CB 4.13Å; F170-L184 HydrophobicContact CZ-CD2 4.12Å; F170-L184 HydrophobicContact CZ-CG 4.13Å; F170-T185 WeakPolarHBondContact CE1-OG1 3.43Å; F170-T185 WeakPolarHBondContact CZ-OG1 3.47Å; F170-I188 HydrophobicContact CD2-CD1 4.35Å; F170-I188 HydrophobicContact CE2-CD1 3.81Å; F170-V198 HydrophobicContact CE1-CG2 4.49Å; F170-L204 HydrophobicContact CB-CB 4.09Å; F170-L204 HydrophobicContact CD1-CB 4.03Å; F170-L204 HydrophobicContact CD2-CB 4.07Å; F170-L204 HydrophobicContact CD2-CD2 4.13Å; F170-L204 HydrophobicContact CE2-CD2 4.04Å; F170-L204 HydrophobicContact CG-CB 3.77Å; F170-L204 HydrophobicContact CZ-CD2 4.48Å |
| 171 | S | 94 | Very high | 93.6 | Very high | 16 Ų | 16 | 57.7 Ų | 57.7 | 11% | 0.112 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.1 | -41 | 179.6 | 60.7 | 0 | 0 | 0 | 0 | 112.8 | C174 R175 G202 | S171-C174 PolarHBondContact O-N 3.3Å; S171-R175 WeakPolarHBondContact O-CG 3.46Å; S171-R175 PolarHBondContact O-N 3.43Å; S171-G202 WeakPolarHBondContact CB-O 3.47Å; S171-G202 PolarHBondContact N-O 3.44Å |
| 172 | T | 93.8 | Very high | 93.7 | Very high | 65 Ų | 65 | 58.6 Ų | 58.6 | 40% | 0.399 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 177.3 | -52.6 | 0 | 0 | 0 | 0 | 111.8 | N169 F170 R175 S176 | N169-T172 PolarHBondContact O-N 2.75Å; F170-T172 PolarHBondContact O-N 2.96Å; T172-R175 PolarHBondContact O-N 3.41Å; T172-S176 WeakPolarHBondContact O-CB 3.43Å; T172-S176 PolarHBondContact O-N 2.96Å |
| 173 | I | 94.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.1 | -42 | 177.3 | -69 | 165.5 | 0 | 0 | 0 | 110.8 | V153 F167 N169 F170 R175 S176 L177 L219 | V153-I173 HydrophobicContact CB-CG1 4.35Å; F167-I173 HydrophobicContact CE2-CD1 3.73Å; F167-I173 HydrophobicContact CZ-CD1 3.43Å; F167-I173 VanDerWaalsContact CZ-CD1 3.43Å; N169-I173 WeakPolarHBondContact O-CG1 3.27Å; N169-I173 PolarHBondContact O-N 2.8Å; N169-I173 VanDerWaalsContact O-N 3.14Å; F170-I173 PolarHBondContact O-N 2.9Å; I173-R175 VanDerWaalsContact C-N 3.32Å; I173-R175 PolarHBondContact O-N 2.82Å; I173-S176 PolarHBondContact O-N 3.01Å; I173-L177 HydrophobicContact CG2-CD1 3.81Å; I173-L177 HydrophobicContact CG2-CG 4.4Å; I173-L177 WeakPolarHBondContact O-CG 3.48Å; I173-L177 PolarHBondContact O-N 2.82Å; I173-L219 HydrophobicContact CD1-CD1 4.46Å |
| 174 | C | 93.9 | Very high | 94 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.4 | -43 | 176.3 | -63.5 | 0 | 0 | 0 | 0 | 112.1 | F170 S171 L177 M178 R179 Q181 L184 | F170-C174 VanDerWaalsContact CZ-SG 3.6Å; F170-C174 PolarHBondContact O-N 3.25Å; F170-C174 PolarHBondContact O-SG 3.24Å; S171-C174 PolarHBondContact O-N 3.3Å; C174-L177 PolarHBondContact O-N 3.33Å; C174-M178 PolarHBondContact O-N 3.5Å; C174-M178 VanDerWaalsContact O-N 3.1Å; C174-R179 PolarHBondContact O-N 3.25Å; C174-Q181 HydrophobicContact CB-CG 3.87Å; C174-L184 VanDerWaalsContact SG-CD2 3.56Å |
| 175 | R | 92.9 | Very high | 94 | Very high | 179 Ų | 179 | 42.2 Ų | 42.2 | 68% | 0.675 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -65.5 | -44 | 177.5 | -70.2 | 175.9 | -171.1 | 149.3 | 1.4 | 111.9 | S171 T172 I173 L177 M178 | S171-R175 WeakPolarHBondContact O-CG 3.46Å; S171-R175 PolarHBondContact O-N 3.43Å; T172-R175 PolarHBondContact O-N 3.41Å; I173-R175 VanDerWaalsContact C-N 3.32Å; I173-R175 PolarHBondContact O-N 2.82Å; R175-L177 VanDerWaalsContact C-N 3.27Å; R175-L177 PolarHBondContact O-N 3.39Å; R175-M178 PolarHBondContact O-N 3.2Å; R175-M178 VanDerWaalsContact O-N 3.14Å |
| 176 | S | 92.2 | Very high | 93.9 | Very high | 70 Ų | 70 | 45.3 Ų | 45.3 | 49% | 0.49 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.2 | -34.2 | 177.6 | 175.2 | 0 | 0 | 0 | 0 | 112.8 | T172 I173 | T172-S176 WeakPolarHBondContact O-CB 3.43Å; T172-S176 PolarHBondContact O-N 2.96Å; I173-S176 PolarHBondContact O-N 3.01Å |
| 177 | L | 92 | Very high | 94 | Very high | 12 Ų | 12 | 44.2 Ų | 44.2 | 6% | 0.063 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -2.9 | 177.9 | -61.3 | 174.2 | 0 | 0 | 0 | 113.6 | I173 C174 R175 R179 V227 | I173-L177 HydrophobicContact CG2-CD1 3.81Å; I173-L177 HydrophobicContact CG2-CG 4.4Å; I173-L177 WeakPolarHBondContact O-CG 3.48Å; I173-L177 PolarHBondContact O-N 2.82Å; C174-L177 PolarHBondContact O-N 3.33Å; R175-L177 VanDerWaalsContact C-N 3.27Å; R175-L177 PolarHBondContact O-N 3.39Å; L177-R179 HydrophobicContact CB-CG 4.35Å; L177-R179 PolarHBondContact O-N 3.09Å; L177-V227 HydrophobicContact CB-CG2 4.4Å; L177-V227 HydrophobicContact CD1-CG2 4.49Å; L177-V227 HydrophobicContact CD2-CG1 4.17Å; L177-V227 HydrophobicContact CD2-CG2 4.46Å |
| 178 | M | 92.4 | Very high | 93.9 | Very high | 93 Ų | 93 | 44.3 Ų | 44.3 | 46% | 0.458 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 52.1 | -173.1 | -58.1 | -177 | -68.7 | 0 | 0 | 112.5 | C174 R175 E236 | C174-M178 PolarHBondContact O-N 3.5Å; C174-M178 VanDerWaalsContact O-N 3.1Å; R175-M178 PolarHBondContact O-N 3.2Å; R175-M178 VanDerWaalsContact O-N 3.14Å; M178-E236 HydrophobicContact CE-CG 4.32Å |
| 179 | R | 93.5 | Very high | 93.9 | Very high | 19 Ų | 19 | 42.6 Ų | 42.6 | 7% | 0.072 | 23% | 0.226 | C | C | . | . | trans | -129.5 | 148.7 | -179.9 | -71.4 | -70.1 | 175 | -96 | 2.8 | 112.2 | C174 L177 Y222 Y226 V227 T237 L248 | C174-R179 PolarHBondContact O-N 3.25Å; L177-R179 HydrophobicContact CB-CG 4.35Å; L177-R179 PolarHBondContact O-N 3.09Å; R179-Y222 HydrophobicContact CG-CE1 4.31Å; R179-Y226 PolarHBondContact NE-O 3.09Å; R179-Y226 PolarHBondContact NH2-O 2.97Å; R179-V227 HydrophobicContact CG-CG2 4.32Å; R179-T237 VanDerWaalsContact CZ-O 3.27Å; R179-T237 PolarHBondContact NH1-O 2.98Å; R179-T237 PolarHBondContact NH2-O 3.42Å; R179-T237 PolarHBondContact NH2-OG1 3.07Å; R179-L248 VanDerWaalsContact NH2-CD1 3.26Å | ||
| 180 | D | 93.2 | Very high | 94 | Very high | 111 Ų | 111 | 43.1 Ų | 43.1 | 59% | 0.594 | 23% | 0.23 | S | C | * | . | trans | -64.7 | 134.1 | 174.8 | -66.1 | -38.6 | 0 | 0 | 0 | 111.6 | S182 H183 L184 | D180-S182 PolarHBondContact O-N 3.45Å; D180-H183 HydrophobicContact CB-CB 4.45Å; D180-H183 PolarHBondContact O-N 2.93Å; D180-L184 PolarHBondContact O-N 2.93Å | ||
| 181 | Q | 94.4 | Very high | 93.9 | Very high | 69 Ų | 69 | 47.9 Ų | 47.9 | 32% | 0.322 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.3 | -32.3 | -179.8 | -66.4 | -180 | 7 | 0 | 0 | 112.3 | F170 C174 T185 | F170-Q181 HydrophobicContact CE1-CB 4.07Å; F170-Q181 HydrophobicContact CE1-CG 4.37Å; C174-Q181 HydrophobicContact CB-CG 3.87Å; Q181-T185 WeakPolarHBondContact O-CB 3.19Å; Q181-T185 PolarHBondContact O-N 3.46Å; Q181-T185 PolarHBondContact O-OG1 2.99Å |
| 182 | S | 93.3 | Very high | 93.8 | Very high | 82 Ų | 82 | 48.8 Ų | 48.8 | 57% | 0.573 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -64.7 | -43.9 | 177.7 | 56.7 | 0 | 0 | 0 | 0 | 112 | D180 T186 | D180-S182 PolarHBondContact O-N 3.45Å; S182-T186 WeakPolarHBondContact O-CB 3.4Å; S182-T186 PolarHBondContact O-N 3.32Å; S182-T186 PolarHBondContact O-OG1 3.1Å |
| 183 | H | 94.5 | Very high | 93.7 | Very high | 26 Ų | 26 | 47.2 Ų | 47.2 | 12% | 0.12 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66 | -49.4 | 179.7 | -174.8 | -95.5 | 0 | 0 | 0 | 111 | D180 T185 T186 Y187 Y222 Y226 V262 | D180-H183 HydrophobicContact CB-CB 4.45Å; D180-H183 PolarHBondContact O-N 2.93Å; H183-T185 VanDerWaalsContact C-N 3.33Å; H183-T185 PolarHBondContact O-N 3.47Å; H183-T186 PolarHBondContact O-N 3.45Å; H183-Y187 PolarHBondContact O-N 2.95Å; H183-Y222 AromaticContact CE1-CE2 3.78Å; H183-Y222 AromaticContact ND1-CE2 3.6Å; H183-Y222 AromaticContact ND1-CZ 3.69Å; H183-Y222 PolarHBondContact ND1-OH 3.31Å; H183-Y226 AromaticContact CE1-CD1 3.54Å; H183-Y226 AromaticContact CE1-CE1 3.75Å; H183-Y226 AromaticContact CE1-CG 3.91Å; H183-Y226 AromaticContact NE2-CE1 3.98Å; H183-V262 WeakPolarHBondContact NE2-CG2 3.33Å |
| 184 | L | 94.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65 | -38.4 | 179.5 | -176.7 | 61.3 | 0 | 0 | 0 | 111.9 | F170 C174 D180 Y187 I188 L219 Y222 | F170-L184 HydrophobicContact CD2-CD2 4.36Å; F170-L184 HydrophobicContact CE2-CB 4.28Å; F170-L184 HydrophobicContact CE2-CD2 3.58Å; F170-L184 HydrophobicContact CE2-CG 3.75Å; F170-L184 HydrophobicContact CZ-CB 4.13Å; F170-L184 HydrophobicContact CZ-CD2 4.12Å; F170-L184 HydrophobicContact CZ-CG 4.13Å; C174-L184 VanDerWaalsContact SG-CD2 3.56Å; D180-L184 PolarHBondContact O-N 2.93Å; L184-Y187 PolarHBondContact O-N 3.11Å; L184-I188 HydrophobicContact CD1-CD1 4.07Å; L184-I188 HydrophobicContact CD1-CG1 4.17Å; L184-I188 HydrophobicContact CD2-CD1 4.43Å; L184-I188 HydrophobicContact CG-CD1 3.87Å; L184-I188 HydrophobicContact CG-CG1 4.38Å; L184-I188 WeakPolarHBondContact O-CG1 3.32Å; L184-I188 PolarHBondContact O-N 2.92Å; L184-L219 HydrophobicContact CD1-CD2 4.29Å; L184-Y222 HydrophobicContact CD1-CD1 3.58Å; L184-Y222 HydrophobicContact CD1-CD2 3.76Å; L184-Y222 HydrophobicContact CD1-CE1 3.61Å; L184-Y222 HydrophobicContact CD1-CE2 3.77Å; L184-Y222 HydrophobicContact CD1-CG 3.63Å |
| 185 | T | 95.1 | Very high | 93.5 | Very high | 14 Ų | 14 | 53.6 Ų | 53.6 | 9% | 0.086 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.5 | -48.7 | 175.6 | -65.5 | 0 | 0 | 0 | 0 | 110.9 | F170 Q181 H183 Y187 I188 L189 V198 L204 | F170-T185 WeakPolarHBondContact CE1-OG1 3.43Å; F170-T185 WeakPolarHBondContact CZ-OG1 3.47Å; Q181-T185 WeakPolarHBondContact O-CB 3.19Å; Q181-T185 PolarHBondContact O-N 3.46Å; Q181-T185 PolarHBondContact O-OG1 2.99Å; H183-T185 VanDerWaalsContact C-N 3.33Å; H183-T185 PolarHBondContact O-N 3.47Å; T185-Y187 VanDerWaalsContact C-N 3.27Å; T185-Y187 PolarHBondContact O-N 2.86Å; T185-I188 PolarHBondContact O-N 3.29Å; T185-L189 HydrophobicContact CG2-CD1 3.86Å; T185-L189 HydrophobicContact CG2-CG 4.35Å; T185-L189 WeakPolarHBondContact O-CB 3.2Å; T185-L189 VanDerWaalsContact O-CG 3.27Å; T185-L189 WeakPolarHBondContact O-CG 3.4Å; T185-L189 PolarHBondContact O-N 3.36Å; T185-V198 HydrophobicContact CG2-CG2 4.15Å; T185-V198 WeakPolarHBondContact OG1-CG2 3.2Å; T185-L204 HydrophobicContact CG2-CD1 3.72Å |
| 186 | T | 94.3 | Very high | 93.5 | Very high | 67 Ų | 67 | 46.3 Ų | 46.3 | 41% | 0.411 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.4 | -40.6 | 178.7 | -53.5 | 0 | 0 | 0 | 0 | 111.1 | S182 H183 T190 V262 | S182-T186 WeakPolarHBondContact O-CB 3.4Å; S182-T186 PolarHBondContact O-N 3.32Å; S182-T186 PolarHBondContact O-OG1 3.1Å; H183-T186 PolarHBondContact O-N 3.45Å; T186-T190 VanDerWaalsContact O-CB 3.3Å; T186-T190 WeakPolarHBondContact O-CB 3.33Å; T186-T190 PolarHBondContact O-N 3.23Å; T186-T190 PolarHBondContact O-OG1 2.97Å; T186-V262 HydrophobicContact CG2-CG1 3.82Å |
| 187 | Y | 95.9 | Very high | 93.6 | Very high | 11 Ų | 11 | 46.2 Ų | 46.2 | 4% | 0.043 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.9 | -53 | 176.7 | -179.6 | -99.7 | 0 | 0 | 0 | 112.1 | H183 L184 T185 L189 T190 E191 V218 Y222 Y226 V262 | H183-Y187 PolarHBondContact O-N 2.95Å; L184-Y187 PolarHBondContact O-N 3.11Å; T185-Y187 VanDerWaalsContact C-N 3.27Å; T185-Y187 PolarHBondContact O-N 2.86Å; Y187-L189 VanDerWaalsContact C-N 3.33Å; Y187-L189 PolarHBondContact O-N 2.79Å; Y187-T190 PolarHBondContact O-N 2.89Å; Y187-T190 VanDerWaalsContact O-N 3.16Å; Y187-E191 HydrophobicContact CD1-CG 4.13Å; Y187-E191 HydrophobicContact CD2-CG 4.21Å; Y187-E191 HydrophobicContact CE1-CG 3.65Å; Y187-E191 HydrophobicContact CE2-CG 3.72Å; Y187-E191 WeakPolarHBondContact CE2-OE1 3.33Å; Y187-E191 HydrophobicContact CG-CG 4.4Å; Y187-E191 VanDerWaalsContact CZ-CG 3.42Å; Y187-E191 VanDerWaalsContact CZ-OE1 3.31Å; Y187-E191 WeakPolarHBondContact O-CG 3.42Å; Y187-E191 PolarHBondContact O-N 2.84Å; Y187-E191 PolarHBondContact OH-OE1 3.14Å; Y187-V218 HydrophobicContact CD1-CG1 4.5Å; Y187-V218 HydrophobicContact CE1-CG1 4.03Å; Y187-Y222 AromaticContact CD1-CD2 3.31Å; Y187-Y222 HydrophobicContact CD1-CD2 3.31Å; Y187-Y222 HydrophobicContact CD1-CE2 4.19Å; Y187-Y222 AromaticContact CD1-CG 3.94Å; Y187-Y222 HydrophobicContact CD1-CG 3.94Å; Y187-Y222 HydrophobicContact CD2-CD2 4.04Å; Y187-Y222 VanDerWaalsContact CE1-CB 3.48Å; Y187-Y222 AromaticContact CE1-CD2 3.72Å; Y187-Y222 HydrophobicContact CE1-CD2 3.72Å; Y187-Y222 HydrophobicContact CE1-CG 4.07Å; Y187-Y222 HydrophobicContact CE2-CD2 4.41Å; Y187-Y222 AromaticContact CG-CD2 3.48Å; Y187-Y222 HydrophobicContact CG-CD2 3.48Å; Y187-Y222 VanDerWaalsContact CG-CD2 3.48Å; Y187-Y222 AromaticContact CG-CE2 4Å; Y187-Y222 HydrophobicContact CG-CE2 4Å; Y187-Y226 HydrophobicContact CD2-CD2 4.49Å; Y187-Y226 AromaticContact CD2-CE2 3.73Å; Y187-Y226 HydrophobicContact CD2-CE2 3.73Å; Y187-Y226 HydrophobicContact CE2-CD2 4.48Å; Y187-Y226 AromaticContact CE2-CE2 3.67Å; Y187-Y226 HydrophobicContact CE2-CE2 3.67Å; Y187-V262 HydrophobicContact CD2-CG1 4.44Å; Y187-V262 HydrophobicContact CD2-CG2 4.04Å |
| 188 | I | 95.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.1 | -44.3 | -178.7 | -68.7 | 170.9 | 0 | 0 | 0 | 111 | F167 F170 L184 T185 T190 E191 L192 L204 I206 V218 L219 | F167-I188 HydrophobicContact CE1-CD1 4.46Å; F170-I188 HydrophobicContact CD2-CD1 4.35Å; F170-I188 HydrophobicContact CE2-CD1 3.81Å; L184-I188 HydrophobicContact CD1-CD1 4.07Å; L184-I188 HydrophobicContact CD1-CG1 4.17Å; L184-I188 HydrophobicContact CD2-CD1 4.43Å; L184-I188 HydrophobicContact CG-CD1 3.87Å; L184-I188 HydrophobicContact CG-CG1 4.38Å; L184-I188 WeakPolarHBondContact O-CG1 3.32Å; L184-I188 PolarHBondContact O-N 2.92Å; T185-I188 PolarHBondContact O-N 3.29Å; I188-T190 VanDerWaalsContact C-N 3.3Å; I188-T190 PolarHBondContact O-N 2.81Å; I188-E191 PolarHBondContact O-N 3.1Å; I188-L192 HydrophobicContact CG2-CD1 3.61Å; I188-L192 HydrophobicContact CG2-CG 4.3Å; I188-L192 WeakPolarHBondContact O-CB 3.28Å; I188-L192 WeakPolarHBondContact O-CG 3.36Å; I188-L192 PolarHBondContact O-N 3.48Å; I188-L204 HydrophobicContact CD1-CD2 4.18Å; I188-L204 HydrophobicContact CG2-CD2 4.23Å; I188-I206 HydrophobicContact CG2-CD1 4.11Å; I188-V218 HydrophobicContact CG1-CG1 4.39Å; I188-L219 HydrophobicContact CD1-CD2 4.19Å |
| 189 | L | 94.4 | Very high | 93.8 | Very high | 24 Ų | 24 | 46.8 Ų | 46.8 | 13% | 0.126 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65 | -36.1 | 179.4 | -67.5 | 179.2 | 0 | 0 | 0 | 112.3 | T185 Y187 G193 T194 | T185-L189 HydrophobicContact CG2-CD1 3.86Å; T185-L189 HydrophobicContact CG2-CG 4.35Å; T185-L189 WeakPolarHBondContact O-CB 3.2Å; T185-L189 VanDerWaalsContact O-CG 3.27Å; T185-L189 WeakPolarHBondContact O-CG 3.4Å; T185-L189 PolarHBondContact O-N 3.36Å; Y187-L189 VanDerWaalsContact C-N 3.33Å; Y187-L189 PolarHBondContact O-N 2.79Å; L189-G193 WeakPolarHBondContact O-CA 3.3Å; L189-G193 PolarHBondContact O-N 2.69Å; L189-T194 PolarHBondContact O-N 3.19Å |
| 190 | T | 94.2 | Very high | 93.7 | Very high | 42 Ų | 42 | 50.7 Ų | 50.7 | 26% | 0.258 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.2 | -48.8 | 176.8 | -60.9 | 0 | 0 | 0 | 0 | 111.5 | T186 Y187 I188 L192 G193 T263 | T186-T190 VanDerWaalsContact O-CB 3.3Å; T186-T190 WeakPolarHBondContact O-CB 3.33Å; T186-T190 PolarHBondContact O-N 3.23Å; T186-T190 PolarHBondContact O-OG1 2.97Å; Y187-T190 PolarHBondContact O-N 2.89Å; Y187-T190 VanDerWaalsContact O-N 3.16Å; I188-T190 VanDerWaalsContact C-N 3.3Å; I188-T190 PolarHBondContact O-N 2.81Å; T190-L192 VanDerWaalsContact C-N 3.34Å; T190-L192 PolarHBondContact O-N 3.05Å; T190-G193 PolarHBondContact O-N 3.06Å; T190-T263 WeakPolarHBondContact CG2-O 3.27Å |
| 191 | E | 93.9 | Very high | 93.5 | Very high | 100 Ų | 100 | 52 Ų | 52 | 47% | 0.467 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.5 | -39.2 | 179.2 | -70.3 | -69 | 160.4 | 0 | 0 | 112.2 | Y187 I188 G193 V218 | Y187-E191 HydrophobicContact CD1-CG 4.13Å; Y187-E191 HydrophobicContact CD2-CG 4.21Å; Y187-E191 HydrophobicContact CE1-CG 3.65Å; Y187-E191 HydrophobicContact CE2-CG 3.72Å; Y187-E191 WeakPolarHBondContact CE2-OE1 3.33Å; Y187-E191 HydrophobicContact CG-CG 4.4Å; Y187-E191 VanDerWaalsContact CZ-CG 3.42Å; Y187-E191 VanDerWaalsContact CZ-OE1 3.31Å; Y187-E191 WeakPolarHBondContact O-CG 3.42Å; Y187-E191 PolarHBondContact O-N 2.84Å; Y187-E191 PolarHBondContact OH-OE1 3.14Å; I188-E191 PolarHBondContact O-N 3.1Å; E191-G193 VanDerWaalsContact C-N 3.3Å; E191-V218 HydrophobicContact CB-CG1 3.98Å; E191-V218 HydrophobicContact CG-CG1 4.24Å |
| 192 | L | 92.8 | Very high | 93.4 | Very high | 34 Ų | 34 | 49.2 Ų | 49.2 | 18% | 0.178 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -79.4 | -14.2 | 177.9 | -63.9 | 176.6 | 0 | 0 | 0 | 113.1 | I188 T190 T194 I206 Y210 M215 V218 | I188-L192 HydrophobicContact CG2-CD1 3.61Å; I188-L192 HydrophobicContact CG2-CG 4.3Å; I188-L192 WeakPolarHBondContact O-CB 3.28Å; I188-L192 WeakPolarHBondContact O-CG 3.36Å; I188-L192 PolarHBondContact O-N 3.48Å; T190-L192 VanDerWaalsContact C-N 3.34Å; T190-L192 PolarHBondContact O-N 3.05Å; L192-T194 VanDerWaalsContact C-N 3.27Å; L192-T194 HydrophobicContact CB-CG2 4.39Å; L192-T194 PolarHBondContact O-N 3.41Å; L192-I206 HydrophobicContact CD1-CD1 4.13Å; L192-I206 HydrophobicContact CD1-CG2 4.28Å; L192-Y210 HydrophobicContact CD1-CE1 4.36Å; L192-Y210 HydrophobicContact CD1-CE2 4.3Å; L192-Y210 HydrophobicContact CD2-CD1 4.26Å; L192-Y210 HydrophobicContact CD2-CE1 3.77Å; L192-Y210 HydrophobicContact CG-CE1 4.47Å; L192-M215 HydrophobicContact CD1-CE 3.36Å; L192-M215 HydrophobicContact CD1-SD 3.95Å; L192-M215 HydrophobicContact CD2-CE 4.32Å; L192-M215 HydrophobicContact CG-CE 4.47Å; L192-V218 HydrophobicContact CD2-CG2 4.21Å |
| 193 | G | 91.1 | Very high | 93.4 | Very high | 33 Ų | 33 | 45.6 Ų | 45.6 | 34% | 0.34 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 37.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L189 T190 E191 Q267 | L189-G193 WeakPolarHBondContact O-CA 3.3Å; L189-G193 PolarHBondContact O-N 2.69Å; T190-G193 PolarHBondContact O-N 3.06Å; E191-G193 VanDerWaalsContact C-N 3.3Å; G193-Q267 PolarHBondContact O-NE2 3.38Å |
| 194 | T | 91.1 | Very high | 93.5 | Very high | 23 Ų | 23 | 44.4 Ų | 44.4 | 14% | 0.141 | 27% | 0.274 | C | S | . | . | trans | -125.3 | 174.1 | -177.6 | 57 | 0 | 0 | 0 | 0 | 112.7 | L189 L192 I206 R207 Y210 | L189-T194 PolarHBondContact O-N 3.19Å; L192-T194 VanDerWaalsContact C-N 3.27Å; L192-T194 HydrophobicContact CB-CG2 4.39Å; L192-T194 PolarHBondContact O-N 3.41Å; T194-I206 WeakPolarHBondContact OG1-CG2 3.49Å; T194-R207 WeakPolarHBondContact CG2-O 3.49Å; T194-Y210 HydrophobicContact CG2-CE2 4.17Å; T194-Y210 WeakPolarHBondContact CG2-OH 3.19Å | ||
| 195 | Q | 92.1 | Very high | 93.5 | Very high | 115 Ų | 115 | 46.5 Ų | 46.5 | 54% | 0.537 | 29% | 0.285 | S | S | . | . | trans | -115.7 | 141.4 | 176.6 | -63.5 | -68.4 | -32.8 | 0 | 0 | 107.9 | R207 | Q195-R207 WeakPolarHBondContact O-CB 3.33Å; Q195-R207 VanDerWaalsContact O-CG 3.32Å; Q195-R207 WeakPolarHBondContact O-CG 3.48Å; Q195-R207 PolarHBondContact O-N 3.1Å; Q195-R207 VanDerWaalsContact O-N 3.12Å | ||
| 196 | G | 93.5 | Very high | 93.5 | Very high | 26 Ų | 26 | 45.9 Ų | 45.9 | 27% | 0.268 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 171.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L205 | G196-L205 CarbonylContact C-O 3.51Å; G196-L205 WeakPolarHBondContact CA-O 3.37Å |
| 197 | S | 94.6 | Very high | 93.5 | Very high | 68 Ų | 68 | 50.5 Ų | 50.5 | 48% | 0.476 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 147.7 | -179.7 | 58.4 | 0 | 0 | 0 | 0 | 109.5 | L205 | S197-L205 PolarHBondContact N-O 3.31Å; S197-L205 WeakPolarHBondContact O-CB 3.46Å; S197-L205 PolarHBondContact O-N 3.44Å |
| 198 | V | 94.9 | Very high | 93.3 | Very high | 60 Ų | 60 | 51 Ų | 51 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 130.1 | 170.3 | -176 | 0 | 0 | 0 | 0 | 107.8 | F170 T185 L204 | F170-V198 HydrophobicContact CE1-CG2 4.49Å; T185-V198 HydrophobicContact CG2-CG2 4.15Å; T185-V198 WeakPolarHBondContact OG1-CG2 3.2Å; V198-L204 HydrophobicContact CG2-CD1 4.11Å |
| 199 | D | 93 | Very high | 93.2 | Very high | 56 Ų | 56 | 59.3 Ų | 59.3 | 30% | 0.299 | 33% | 0.331 | S | S | . | . | trans | -77.3 | 160.7 | 174.6 | -174.7 | 36.9 | 0 | 0 | 0 | 110.9 | N201 G202 A203 L205 | D199-N201 PolarHBondContact O-N 3.44Å; D199-N201 VanDerWaalsContact O-N 3.16Å; D199-N201 PolarHBondContact OD2-ND2 3.32Å; D199-G202 PolarHBondContact O-N 3.05Å; D199-A203 WeakPolarHBondContact CB-O 3.28Å; D199-A203 PolarHBondContact N-O 3.07Å; D199-L205 HydrophobicContact CB-CD1 4.16Å | ||
| 200 | A | 91.5 | Very high | 93.2 | Very high | 102 Ų | 102 | 60.2 Ų | 60.2 | 84% | 0.843 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -29.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G202 | A200-G202 PolarHBondContact O-N 3.46Š|
| 201 | N | 89.9 | Confident | 93.2 | Very high | 137 Ų | 137 | 61 Ų | 61 | 73% | 0.733 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -2.2 | 177.6 | -58.5 | -40.1 | 0 | 0 | 0 | 113.6 | D199 A203 | D199-N201 PolarHBondContact O-N 3.44Å; D199-N201 VanDerWaalsContact O-N 3.16Å; D199-N201 PolarHBondContact OD2-ND2 3.32Å; N201-A203 VanDerWaalsContact C-N 3.29Å; N201-A203 PolarHBondContact O-N 3.41Å |
| 202 | G | 91 | Very high | 93.1 | Very high | 11 Ų | 11 | 58.1 Ų | 58.1 | 11% | 0.113 | 33% | 0.329 | C | S | . | . | S | Bend | trans | 78.5 | 10.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S171 D199 A200 | S171-G202 WeakPolarHBondContact CB-O 3.47Å; S171-G202 PolarHBondContact N-O 3.44Å; D199-G202 PolarHBondContact O-N 3.05Å; A200-G202 PolarHBondContact O-N 3.46Å |
| 203 | A | 94.4 | Very high | 93.1 | Very high | 7 Ų | 7 | 64.3 Ų | 64.3 | 6% | 0.058 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -87.3 | 145.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | L166 F167 D199 N201 | L166-A203 HydrophobicContact CD1-CB 3.58Å; L166-A203 HydrophobicContact CD2-CB 4.46Å; L166-A203 HydrophobicContact CG-CB 4.06Å; F167-A203 CarbonylContact O-C 3.48Å; F167-A203 VanDerWaalsContact O-CA 3.3Å; F167-A203 WeakPolarHBondContact O-CA 3.44Å; F167-A203 WeakPolarHBondContact O-CB 3.45Å; D199-A203 WeakPolarHBondContact CB-O 3.28Å; D199-A203 PolarHBondContact N-O 3.07Å; N201-A203 VanDerWaalsContact C-N 3.29Å; N201-A203 PolarHBondContact O-N 3.41Å |
| 204 | L | 95.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 119.2 | -178.4 | 175.3 | 66.5 | 0 | 0 | 0 | 110.7 | F167 F170 T185 I188 V198 I206 | F167-L204 HydrophobicContact CB-CB 4.13Å; F167-L204 PolarHBondContact N-O 3.33Å; F167-L204 PolarHBondContact O-N 3.15Å; F170-L204 HydrophobicContact CB-CB 4.09Å; F170-L204 HydrophobicContact CD1-CB 4.03Å; F170-L204 HydrophobicContact CD2-CB 4.07Å; F170-L204 HydrophobicContact CD2-CD2 4.13Å; F170-L204 HydrophobicContact CE2-CD2 4.04Å; F170-L204 HydrophobicContact CG-CB 3.77Å; F170-L204 HydrophobicContact CZ-CD2 4.48Å; T185-L204 HydrophobicContact CG2-CD1 3.72Å; I188-L204 HydrophobicContact CD1-CD2 4.18Å; I188-L204 HydrophobicContact CG2-CD2 4.23Å; V198-L204 HydrophobicContact CG2-CD1 4.11Å; L204-I206 HydrophobicContact CD2-CD1 3.96Å; L204-I206 HydrophobicContact CD2-CG1 4.08Å; L204-I206 HydrophobicContact CG-CD1 4.25Å; L204-I206 HydrophobicContact CG-CG1 3.87Å |
| 205 | L | 95.3 | Very high | 93.3 | Very high | 44 Ų | 44 | 67 Ų | 67 | 23% | 0.23 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 120 | 174.5 | -74.2 | 163 | 0 | 0 | 0 | 110.2 | L166 G196 S197 D199 | L166-L205 HydrophobicContact CB-CD2 4.33Å; L166-L205 HydrophobicContact CD1-CD2 3.5Å; L166-L205 HydrophobicContact CD1-CG 3.75Å; G196-L205 CarbonylContact C-O 3.51Å; G196-L205 WeakPolarHBondContact CA-O 3.37Å; S197-L205 PolarHBondContact N-O 3.31Å; S197-L205 WeakPolarHBondContact O-CB 3.46Å; S197-L205 PolarHBondContact O-N 3.44Å; D199-L205 HydrophobicContact CB-CD1 4.16Å |
| 206 | I | 95.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 133.3 | -178.4 | -52.7 | 176.4 | 0 | 0 | 0 | 109.5 | K164 T165 I188 L192 T194 L204 G208 Y210 M215 | K164-I206 WeakPolarHBondContact CA-O 3.27Å; T165-I206 PolarHBondContact N-O 3.18Å; T165-I206 PolarHBondContact O-N 2.94Å; I188-I206 HydrophobicContact CG2-CD1 4.11Å; L192-I206 HydrophobicContact CD1-CD1 4.13Å; L192-I206 HydrophobicContact CD1-CG2 4.28Å; T194-I206 WeakPolarHBondContact OG1-CG2 3.49Å; L204-I206 HydrophobicContact CD2-CD1 3.96Å; L204-I206 HydrophobicContact CD2-CG1 4.08Å; L204-I206 HydrophobicContact CG-CD1 4.25Å; L204-I206 HydrophobicContact CG-CG1 3.87Å; I206-G208 PolarHBondContact O-N 3.2Å; I206-Y210 HydrophobicContact CB-CD2 4.45Å; I206-Y210 HydrophobicContact CG2-CD2 3.78Å; I206-Y210 HydrophobicContact CG2-CE2 3.59Å; I206-M215 HydrophobicContact CD1-CE 3.7Å; I206-M215 HydrophobicContact CD1-SD 4.5Å |
| 207 | R | 93.4 | Very high | 93.4 | Very high | 164 Ų | 164 | 67.3 Ų | 67.3 | 62% | 0.619 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 118 | 170.6 | -67.7 | -178.4 | 178.9 | -176.6 | -0.6 | 109.4 | T194 Q195 | T194-R207 WeakPolarHBondContact CG2-O 3.49Å; Q195-R207 WeakPolarHBondContact O-CB 3.33Å; Q195-R207 VanDerWaalsContact O-CG 3.32Å; Q195-R207 WeakPolarHBondContact O-CG 3.48Å; Q195-R207 PolarHBondContact O-N 3.1Å; Q195-R207 VanDerWaalsContact O-N 3.12Å |
| 208 | G | 92.6 | Very high | 93.4 | Very high | 23 Ų | 23 | 64.9 Ų | 64.9 | 24% | 0.237 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 136.4 | 176.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K163 K164 T165 I206 | K163-G208 CarbonylContact C-O 3.59Å; K163-G208 PolarHBondContact O-N 2.82Å; K164-G208 CarbonylContact C-O 3.57Å; T165-G208 PolarHBondContact N-O 3Å; T165-G208 PolarHBondContact OG1-O 2.94Å; I206-G208 PolarHBondContact O-N 3.2Å |
| 209 | R | 92.6 | Very high | 93.4 | Very high | 175 Ų | 175 | 62.1 Ų | 62.1 | 66% | 0.66 | 32% | 0.322 | S | S | * | . | trans | -106.7 | 104.1 | 173.5 | -66.6 | 179.6 | 179.7 | 179.1 | 1.3 | 107.7 | T162 | T162-R209 PolarHBondContact O-NE 2.85Š| ||
| 210 | Y | 94.3 | Very high | 93.4 | Very high | 43 Ų | 43 | 66.4 Ų | 66.4 | 17% | 0.169 | 33% | 0.334 | C | S | . | . | trans | -120.3 | 139.1 | 179.1 | -65.7 | -73.9 | 0 | 0 | 0 | 110.6 | T165 L192 T194 I206 M215 | T165-Y210 WeakPolarHBondContact CG2-O 3.36Å; T165-Y210 PolarHBondContact OG1-N 2.65Å; L192-Y210 HydrophobicContact CD1-CE1 4.36Å; L192-Y210 HydrophobicContact CD1-CE2 4.3Å; L192-Y210 HydrophobicContact CD2-CD1 4.26Å; L192-Y210 HydrophobicContact CD2-CE1 3.77Å; L192-Y210 HydrophobicContact CG-CE1 4.47Å; T194-Y210 HydrophobicContact CG2-CE2 4.17Å; T194-Y210 WeakPolarHBondContact CG2-OH 3.19Å; I206-Y210 HydrophobicContact CB-CD2 4.45Å; I206-Y210 HydrophobicContact CG2-CD2 3.78Å; I206-Y210 HydrophobicContact CG2-CE2 3.59Å; Y210-M215 HydrophobicContact CD1-CE 3.84Å; Y210-M215 HydrophobicContact CD2-CE 3.89Å; Y210-M215 HydrophobicContact CG-CE 3.42Å; Y210-M215 VanDerWaalsContact CG-CE 3.42Å | ||
| 211 | T | 93.5 | Very high | 93.5 | Very high | 58 Ų | 58 | 64.9 Ų | 64.9 | 36% | 0.356 | 31% | 0.312 | S | S | . | . | trans | -106.3 | 156.2 | 175.6 | -50.7 | 0 | 0 | 0 | 0 | 108 | K213 H214 | T211-K213 PolarHBondContact O-N 2.7Å; T211-H214 PolarHBondContact O-N 2.88Å | ||
| 212 | S | 93 | Very high | 93.8 | Very high | 41 Ų | 41 | 58.3 Ų | 58.3 | 29% | 0.287 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -50.1 | -41.5 | 176 | 50.8 | 0 | 0 | 0 | 0 | 112.8 | H214 M215 E216 | S212-H214 PolarHBondContact O-N 3Å; S212-H214 VanDerWaalsContact O-N 3.11Å; S212-M215 PolarHBondContact O-N 3.44Å; S212-E216 PolarHBondContact O-N 3.02Å; S212-E216 VanDerWaalsContact O-N 3.1Å |
| 213 | K | 92.8 | Very high | 93.9 | Very high | 163 Ų | 163 | 58.4 Ų | 58.4 | 71% | 0.709 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -53.4 | -31.4 | 176.2 | -63.6 | -172.5 | 177.9 | -174.1 | 0 | 114.4 | T211 P217 | T211-K213 PolarHBondContact O-N 2.7Å; K213-P217 WeakPolarHBondContact O-CD 3.37Å |
| 214 | H | 92.2 | Very high | 93.8 | Very high | 111 Ų | 111 | 65.2 Ų | 65.2 | 51% | 0.514 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -83.5 | -26.6 | 178.7 | -61.4 | -59.2 | 0 | 0 | 0 | 112.6 | T211 S212 | T211-H214 PolarHBondContact O-N 2.88Å; S212-H214 PolarHBondContact O-N 3Å; S212-H214 VanDerWaalsContact O-N 3.11Å |
| 215 | M | 94.1 | Very high | 93.7 | Very high | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -83.5 | -30.7 | -177.9 | -67.8 | -67 | 168.6 | 0 | 0 | 112.5 | M157 L192 I206 Y210 S212 V218 L219 | M157-M215 HydrophobicContact CE-CE 3.77Å; M157-M215 HydrophobicContact CE-CG 3.92Å; M157-M215 HydrophobicContact CE-SD 4.43Å; M157-M215 HydrophobicContact CG-CG 4.19Å; M157-M215 HydrophobicContact SD-CG 3.75Å; L192-M215 HydrophobicContact CD1-CE 3.36Å; L192-M215 HydrophobicContact CD1-SD 3.95Å; L192-M215 HydrophobicContact CD2-CE 4.32Å; L192-M215 HydrophobicContact CG-CE 4.47Å; I206-M215 HydrophobicContact CD1-CE 3.7Å; I206-M215 HydrophobicContact CD1-SD 4.5Å; Y210-M215 HydrophobicContact CD1-CE 3.84Å; Y210-M215 HydrophobicContact CD2-CE 3.89Å; Y210-M215 HydrophobicContact CG-CE 3.42Å; Y210-M215 VanDerWaalsContact CG-CE 3.42Å; S212-M215 PolarHBondContact O-N 3.44Å; M215-V218 PolarHBondContact O-N 3.3Å; M215-L219 WeakPolarHBondContact O-CG 3.42Å; M215-L219 PolarHBondContact O-N 3.21Å |
| 216 | E | 93.4 | Very high | 93.7 | Very high | 80 Ų | 80 | 66.4 Ų | 66.4 | 37% | 0.374 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.2 | -47.2 | 179.5 | -72.8 | 172 | -157.7 | 0 | 0 | 113.8 | P155 S212 V218 L219 R220 | P155-E216 HydrophobicContact CG-CG 3.59Å; S212-E216 PolarHBondContact O-N 3.02Å; S212-E216 VanDerWaalsContact O-N 3.1Å; E216-V218 VanDerWaalsContact C-N 3.34Å; E216-V218 PolarHBondContact O-N 3.4Å; E216-L219 PolarHBondContact O-N 2.91Å; E216-R220 WeakPolarHBondContact O-CB 3.4Å; E216-R220 PolarHBondContact O-N 2.71Å |
| 217 | P | 94.5 | Very high | 93.6 | Very high | 67 Ų | 67 | 66.3 Ų | 66.3 | 44% | 0.435 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.3 | -38.2 | 176.6 | -23.2 | 34.8 | 0 | 0 | 0 | 113 | K213 R220 N221 | K213-P217 WeakPolarHBondContact O-CD 3.37Å; P217-R220 PolarHBondContact O-N 2.8Å; P217-N221 PolarHBondContact O-N 3.36Å |
| 218 | V | 94.6 | Very high | 93.5 | Very high | 18 Ų | 18 | 60.3 Ų | 60.3 | 11% | 0.109 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63 | -48.2 | 179 | 178.1 | 0 | 0 | 0 | 0 | 110.3 | Y187 I188 E191 L192 M215 E216 R220 N221 Y222 | Y187-V218 HydrophobicContact CD1-CG1 4.5Å; Y187-V218 HydrophobicContact CE1-CG1 4.03Å; I188-V218 HydrophobicContact CG1-CG1 4.39Å; E191-V218 HydrophobicContact CB-CG1 3.98Å; E191-V218 HydrophobicContact CG-CG1 4.24Å; L192-V218 HydrophobicContact CD2-CG2 4.21Å; M215-V218 PolarHBondContact O-N 3.3Å; E216-V218 VanDerWaalsContact C-N 3.34Å; E216-V218 PolarHBondContact O-N 3.4Å; V218-R220 VanDerWaalsContact C-N 3.34Å; V218-R220 PolarHBondContact O-N 3.11Å; V218-N221 PolarHBondContact O-N 2.96Å; V218-Y222 PolarHBondContact O-N 3.35Å |
| 219 | L | 94.4 | Very high | 93.5 | Very high | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.6 | -38.6 | 176.3 | -68.1 | 174.8 | 0 | 0 | 0 | 112 | M152 P155 F167 I173 L184 I188 M215 E216 N221 Y222 C223 | M152-L219 HydrophobicContact CE-CB 4.13Å; M152-L219 HydrophobicContact CE-CD1 4.18Å; M152-L219 HydrophobicContact SD-CB 3.94Å; M152-L219 HydrophobicContact SD-CD1 4.22Å; P155-L219 HydrophobicContact CB-CD1 4.04Å; P155-L219 HydrophobicContact CG-CD1 4.36Å; F167-L219 HydrophobicContact CE1-CD1 4.29Å; F167-L219 HydrophobicContact CZ-CD1 4.01Å; I173-L219 HydrophobicContact CD1-CD1 4.46Å; L184-L219 HydrophobicContact CD1-CD2 4.29Å; I188-L219 HydrophobicContact CD1-CD2 4.19Å; M215-L219 WeakPolarHBondContact O-CG 3.42Å; M215-L219 PolarHBondContact O-N 3.21Å; E216-L219 PolarHBondContact O-N 2.91Å; L219-N221 VanDerWaalsContact C-N 3.33Å; L219-N221 PolarHBondContact O-N 3.35Å; L219-Y222 WeakPolarHBondContact O-CB 3.18Å; L219-Y222 PolarHBondContact O-N 3.22Å; L219-C223 PolarHBondContact O-N 3.1Å; L219-C223 PolarHBondContact O-SG 2.78Å |
| 220 | R | 93 | Very high | 93.3 | Very high | 146 Ų | 146 | 54.1 Ų | 54.1 | 55% | 0.551 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62 | -41.7 | 176.5 | -171.7 | -178.8 | -62.1 | -106.5 | 1.3 | 111.9 | E216 P217 V218 C223 R224 | E216-R220 WeakPolarHBondContact O-CB 3.4Å; E216-R220 PolarHBondContact O-N 2.71Å; P217-R220 PolarHBondContact O-N 2.8Å; V218-R220 VanDerWaalsContact C-N 3.34Å; V218-R220 PolarHBondContact O-N 3.11Å; R220-C223 PolarHBondContact O-N 3.14Å; R220-R224 WeakPolarHBondContact O-CG 3.45Å; R220-R224 PolarHBondContact O-N 3.17Å; R220-R224 VanDerWaalsContact O-N 3.15Å |
| 221 | N | 94.1 | Very high | 93.1 | Very high | 69 Ų | 69 | 56.3 Ų | 56.3 | 37% | 0.369 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.9 | -37.9 | 176.1 | -74.1 | -5.2 | 0 | 0 | 0 | 112 | P217 V218 L219 R224 T225 | P217-N221 PolarHBondContact O-N 3.36Å; V218-N221 PolarHBondContact O-N 2.96Å; L219-N221 VanDerWaalsContact C-N 3.33Å; L219-N221 PolarHBondContact O-N 3.35Å; N221-R224 PolarHBondContact O-N 3.06Å; N221-R224 PolarHBondContact OD1-NH1 2.84Å; N221-T225 PolarHBondContact O-N 3.44Å; N221-T225 PolarHBondContact O-OG1 3.25Å |
| 222 | Y | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58 | -50.8 | 171.7 | -175.3 | -102.2 | 0 | 0 | 0 | 111.6 | R179 H183 L184 Y187 V218 L219 R224 T225 Y226 V227 | R179-Y222 HydrophobicContact CG-CE1 4.31Å; H183-Y222 AromaticContact CE1-CE2 3.78Å; H183-Y222 AromaticContact ND1-CE2 3.6Å; H183-Y222 AromaticContact ND1-CZ 3.69Å; H183-Y222 PolarHBondContact ND1-OH 3.31Å; L184-Y222 HydrophobicContact CD1-CD1 3.58Å; L184-Y222 HydrophobicContact CD1-CD2 3.76Å; L184-Y222 HydrophobicContact CD1-CE1 3.61Å; L184-Y222 HydrophobicContact CD1-CE2 3.77Å; L184-Y222 HydrophobicContact CD1-CG 3.63Å; Y187-Y222 AromaticContact CD1-CD2 3.31Å; Y187-Y222 HydrophobicContact CD1-CD2 3.31Å; Y187-Y222 HydrophobicContact CD1-CE2 4.19Å; Y187-Y222 AromaticContact CD1-CG 3.94Å; Y187-Y222 HydrophobicContact CD1-CG 3.94Å; Y187-Y222 HydrophobicContact CD2-CD2 4.04Å; Y187-Y222 VanDerWaalsContact CE1-CB 3.48Å; Y187-Y222 AromaticContact CE1-CD2 3.72Å; Y187-Y222 HydrophobicContact CE1-CD2 3.72Å; Y187-Y222 HydrophobicContact CE1-CG 4.07Å; Y187-Y222 HydrophobicContact CE2-CD2 4.41Å; Y187-Y222 AromaticContact CG-CD2 3.48Å; Y187-Y222 HydrophobicContact CG-CD2 3.48Å; Y187-Y222 VanDerWaalsContact CG-CD2 3.48Å; Y187-Y222 AromaticContact CG-CE2 4Å; Y187-Y222 HydrophobicContact CG-CE2 4Å; V218-Y222 PolarHBondContact O-N 3.35Å; L219-Y222 WeakPolarHBondContact O-CB 3.18Å; L219-Y222 PolarHBondContact O-N 3.22Å; Y222-R224 VanDerWaalsContact C-N 3.3Å; Y222-R224 PolarHBondContact O-N 3.42Å; Y222-T225 PolarHBondContact O-N 3.34Å; Y222-T225 VanDerWaalsContact O-N 3.09Å; Y222-Y226 AromaticContact CD2-CD2 3.41Å; Y222-Y226 HydrophobicContact CD2-CD2 3.41Å; Y222-Y226 VanDerWaalsContact CD2-CD2 3.41Å; Y222-Y226 HydrophobicContact CD2-CE2 4.09Å; Y222-Y226 HydrophobicContact CD2-CG 4.13Å; Y222-Y226 AromaticContact CE2-CD2 3.58Å; Y222-Y226 HydrophobicContact CE2-CD2 3.58Å; Y222-Y226 HydrophobicContact CE2-CE2 4.32Å; Y222-Y226 AromaticContact CE2-CG 3.86Å; Y222-Y226 HydrophobicContact CE2-CG 3.86Å; Y222-Y226 HydrophobicContact CG-CD2 4.22Å; Y222-Y226 PolarHBondContact O-N 3.07Å; Y222-V227 HydrophobicContact CD1-CG2 4.03Å; Y222-V227 HydrophobicContact CE1-CG2 3.83Å |
| 223 | C | 93.8 | Very high | 92.5 | Very high | 13 Ų | 13 | 58 Ų | 58 | 9% | 0.088 | 30% | 0.297 | C | S | . | . | I | π-helix | trans | -59.9 | -40.9 | -178.5 | -68.8 | 0 | 0 | 0 | 0 | 112 | L150 L219 R220 T225 V227 L228 | L150-C223 HydrophobicContact CD1-CB 4.47Å; L219-C223 PolarHBondContact O-N 3.1Å; L219-C223 PolarHBondContact O-SG 2.78Å; R220-C223 PolarHBondContact O-N 3.14Å; C223-T225 VanDerWaalsContact C-N 3.29Å; C223-T225 PolarHBondContact O-N 2.98Å; C223-V227 HydrophobicContact CB-CB 4.45Å; C223-V227 WeakPolarHBondContact O-CB 3.44Å; C223-V227 PolarHBondContact O-N 3.43Å; C223-L228 WeakPolarHBondContact O-CB 3.43Å; C223-L228 PolarHBondContact O-N 3.23Å |
| 224 | R | 92.3 | Very high | 92.3 | Very high | 150 Ų | 150 | 50.3 Ų | 50.3 | 57% | 0.566 | 26% | 0.264 | S | S | * | . | I | π-helix | trans | -63.2 | -33.4 | 176.8 | -72.2 | 169.6 | 177.6 | 164.8 | -7.2 | 113.5 | R220 N221 Y222 | R220-R224 WeakPolarHBondContact O-CG 3.45Å; R220-R224 PolarHBondContact O-N 3.17Å; R220-R224 VanDerWaalsContact O-N 3.15Å; N221-R224 PolarHBondContact O-N 3.06Å; N221-R224 PolarHBondContact OD1-NH1 2.84Å; Y222-R224 VanDerWaalsContact C-N 3.3Å; Y222-R224 PolarHBondContact O-N 3.42Å |
| 225 | T | 92.9 | Very high | 92.1 | Very high | 57 Ų | 57 | 47 Ų | 47 | 35% | 0.35 | 25% | 0.253 | S | S | . | . | I | π-helix | trans | -94.9 | -38.5 | -171.8 | -50.9 | 0 | 0 | 0 | 0 | 112.7 | N221 Y222 C223 V259 | N221-T225 PolarHBondContact O-N 3.44Å; N221-T225 PolarHBondContact O-OG1 3.25Å; Y222-T225 PolarHBondContact O-N 3.34Å; Y222-T225 VanDerWaalsContact O-N 3.09Å; C223-T225 VanDerWaalsContact C-N 3.29Å; C223-T225 PolarHBondContact O-N 2.98Å; T225-V259 HydrophobicContact CG2-CG1 3.76Å; T225-V259 WeakPolarHBondContact O-CG1 3.27Å |
| 226 | Y | 94.8 | Very high | 92 | Very high | 11 Ų | 11 | 50.2 Ų | 50.2 | 4% | 0.043 | 27% | 0.268 | C | S | . | . | I | π-helix | trans | -120.1 | -6.7 | -167.9 | -61 | -81.1 | 0 | 0 | 0 | 114.8 | R179 H183 Y187 Y222 L248 V259 K260 V262 | R179-Y226 PolarHBondContact NE-O 3.09Å; R179-Y226 PolarHBondContact NH2-O 2.97Å; H183-Y226 AromaticContact CE1-CD1 3.54Å; H183-Y226 AromaticContact CE1-CE1 3.75Å; H183-Y226 AromaticContact CE1-CG 3.91Å; H183-Y226 AromaticContact NE2-CE1 3.98Å; Y187-Y226 HydrophobicContact CD2-CD2 4.49Å; Y187-Y226 AromaticContact CD2-CE2 3.73Å; Y187-Y226 HydrophobicContact CD2-CE2 3.73Å; Y187-Y226 HydrophobicContact CE2-CD2 4.48Å; Y187-Y226 AromaticContact CE2-CE2 3.67Å; Y187-Y226 HydrophobicContact CE2-CE2 3.67Å; Y222-Y226 AromaticContact CD2-CD2 3.41Å; Y222-Y226 HydrophobicContact CD2-CD2 3.41Å; Y222-Y226 VanDerWaalsContact CD2-CD2 3.41Å; Y222-Y226 HydrophobicContact CD2-CE2 4.09Å; Y222-Y226 HydrophobicContact CD2-CG 4.13Å; Y222-Y226 AromaticContact CE2-CD2 3.58Å; Y222-Y226 HydrophobicContact CE2-CD2 3.58Å; Y222-Y226 HydrophobicContact CE2-CE2 4.32Å; Y222-Y226 AromaticContact CE2-CG 3.86Å; Y222-Y226 HydrophobicContact CE2-CG 3.86Å; Y222-Y226 HydrophobicContact CG-CD2 4.22Å; Y222-Y226 PolarHBondContact O-N 3.07Å; Y226-L248 VanDerWaalsContact O-CD1 3.27Å; Y226-L248 WeakPolarHBondContact O-CD1 3.48Å; Y226-V259 HydrophobicContact CD1-CB 4.43Å; Y226-V259 HydrophobicContact CD1-CG1 3.47Å; Y226-V259 VanDerWaalsContact CD1-CG1 3.47Å; Y226-V259 HydrophobicContact CE1-CB 4.4Å; Y226-V259 HydrophobicContact CE1-CG1 3.34Å; Y226-V259 HydrophobicContact CG-CG1 4.31Å; Y226-K260 VanDerWaalsContact CE1-O 3.27Å; Y226-K260 WeakPolarHBondContact CE1-O 3.45Å; Y226-K260 PolarHBondContact OH-O 3.42Å; Y226-K260 VanDerWaalsContact OH-O 3.06Å; Y226-V262 HydrophobicContact CE1-CG2 4.18Å; Y226-V262 HydrophobicContact CE2-CG2 4.43Å; Y226-V262 WeakPolarHBondContact OH-CG2 3.48Å |
| 227 | V | 93.5 | Very high | 92 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | I | π-helix | trans | -119.6 | -46.7 | -176.9 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | L150 L177 R179 Y222 C223 T237 | L150-V227 HydrophobicContact CD1-CG1 4.18Å; L177-V227 HydrophobicContact CB-CG2 4.4Å; L177-V227 HydrophobicContact CD1-CG2 4.49Å; L177-V227 HydrophobicContact CD2-CG1 4.17Å; L177-V227 HydrophobicContact CD2-CG2 4.46Å; R179-V227 HydrophobicContact CG-CG2 4.32Å; Y222-V227 HydrophobicContact CD1-CG2 4.03Å; Y222-V227 HydrophobicContact CE1-CG2 3.83Å; C223-V227 HydrophobicContact CB-CB 4.45Å; C223-V227 WeakPolarHBondContact O-CB 3.44Å; C223-V227 PolarHBondContact O-N 3.43Å; V227-T237 WeakPolarHBondContact O-CG2 3.49Å; V227-T237 PolarHBondContact O-OG1 2.75Å |
| 228 | L | 92.4 | Very high | 92 | Very high | 38 Ų | 38 | 45.1 Ų | 45.1 | 20% | 0.199 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -78.5 | 132 | -179.3 | -73.2 | 173.8 | 0 | 0 | 0 | 111.1 | L150 C223 Q233 | L150-L228 HydrophobicContact CD1-CD1 4.1Å; L150-L228 HydrophobicContact CD1-CD2 3.38Å; L150-L228 HydrophobicContact CD1-CG 3.61Å; L150-L228 HydrophobicContact CD2-CD2 4.01Å; L150-L228 HydrophobicContact CG-CD2 3.66Å; L150-L228 HydrophobicContact CG-CG 4.32Å; C223-L228 WeakPolarHBondContact O-CB 3.43Å; C223-L228 PolarHBondContact O-N 3.23Å; L228-Q233 VanDerWaalsContact CD2-O 3.26Å; L228-Q233 WeakPolarHBondContact CD2-O 3.18Å |
| 229 | C | 92.5 | Very high | 92 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.02 | 24% | 0.244 | C | C | . | . | trans | -68.5 | 138.2 | 169.9 | -171.8 | 0 | 0 | 0 | 0 | 111.2 | T231 C232 Q233 S234 T237 C250 C253 S255 | C229-T231 VanDerWaalsContact C-N 3.34Å; C229-T231 PolarHBondContact O-N 3.28Å; C229-T231 PolarHBondContact SG-OG1 2.9Å; C229-C232 VanDerWaalsContact SG-SG 3.68Å; C229-Q233 VanDerWaalsContact O-CA 3.28Å; C229-Q233 WeakPolarHBondContact O-CA 3.5Å; C229-Q233 PolarHBondContact O-N 2.72Å; C229-Q233 VanDerWaalsContact O-N 3.1Å; C229-S234 PolarHBondContact N-O 3.08Å; C229-T237 HydrophobicContact CB-CG2 3.85Å; C229-C250 HydrophobicContact CB-CB 4.23Å; C229-C253 VanDerWaalsContact SG-SG 3.68Å; C229-S255 PolarHBondContact SG-OG 3.43Å; C229-S255 VanDerWaalsContact SG-OG 3.34Å | ||
| 230 | G | 88.4 | Confident | 91.9 | Very high | 64 Ų | 64 | 48.8 Ų | 48.8 | 66% | 0.66 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -26.9 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 231 | T | 90 | Very high | 91.9 | Very high | 90 Ų | 90 | 49.7 Ų | 49.7 | 55% | 0.552 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -56.9 | 179.8 | 46.4 | 0 | 0 | 0 | 0 | 112.7 | C229 C253 F257 | C229-T231 VanDerWaalsContact C-N 3.34Å; C229-T231 PolarHBondContact O-N 3.28Å; C229-T231 PolarHBondContact SG-OG1 2.9Å; T231-C253 PolarHBondContact OG1-SG 2.86Å; T231-C253 VanDerWaalsContact OG1-SG 3.35Å; T231-F257 HydrophobicContact CG2-CE2 4.18Å; T231-F257 HydrophobicContact CG2-CZ 3.61Å |
| 232 | C | 86.9 | Confident | 91.8 | Very high | 27 Ų | 27 | 50.2 Ų | 50.2 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 2.1 | -169.8 | 61.5 | 0 | 0 | 0 | 0 | 114.8 | R148 C229 S234 C250 C253 | R148-C232 PolarHBondContact NH1-O 3.24Å; C229-C232 VanDerWaalsContact SG-SG 3.68Å; C232-S234 PolarHBondContact O-N 2.69Å; C232-S234 PolarHBondContact SG-OG 3.29Å; C232-C250 VanDerWaalsContact SG-SG 3.63Å; C232-C253 HydrophobicContact CB-CB 4.46Å; C232-C253 PolarHBondContact SG-SG 2.85Å |
| 233 | Q | 87.6 | Confident | 91.6 | Very high | 107 Ų | 107 | 54.7 Ų | 54.7 | 50% | 0.5 | 31% | 0.305 | S | S | . | . | trans | 50.5 | 27.1 | 179.9 | -57.9 | -176.9 | 6.4 | 0 | 0 | 114.9 | L228 C229 | L228-Q233 VanDerWaalsContact CD2-O 3.26Å; L228-Q233 WeakPolarHBondContact CD2-O 3.18Å; C229-Q233 VanDerWaalsContact O-CA 3.28Å; C229-Q233 WeakPolarHBondContact O-CA 3.5Å; C229-Q233 PolarHBondContact O-N 2.72Å; C229-Q233 VanDerWaalsContact O-N 3.1Å | ||
| 234 | S | 87.1 | Confident | 91.5 | Very high | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.007 | 34% | 0.341 | C | S | . | . | trans | -80.5 | 146.6 | 174.3 | 56.2 | 0 | 0 | 0 | 0 | 111.1 | C229 C232 E236 C250 | C229-S234 PolarHBondContact N-O 3.08Å; C232-S234 PolarHBondContact O-N 2.69Å; C232-S234 PolarHBondContact SG-OG 3.29Å; S234-E236 VanDerWaalsContact C-N 3.32Å; S234-C250 PolarHBondContact OG-SG 3.38Å | ||
| 235 | S | 89.3 | Confident | 91.6 | Very high | 41 Ų | 41 | 61.8 Ų | 61.8 | 29% | 0.287 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -76.4 | -17.4 | 169.6 | 34.5 | 0 | 0 | 0 | 0 | 113.8 | L150 T237 | L150-S235 VanDerWaalsContact CD2-CB 3.42Å; L150-S235 WeakPolarHBondContact CD2-OG 3.21Å; S235-T237 PolarHBondContact O-N 3.34Å |
| 236 | E | 90.5 | Very high | 91.6 | Very high | 71 Ų | 71 | 60 Ų | 60 | 33% | 0.332 | 32% | 0.324 | S | S | . | . | trans | -76.5 | 77.3 | 178.9 | -70.6 | 171.3 | -157.2 | 0 | 0 | 110.8 | M178 S234 R251 R252 | M178-E236 HydrophobicContact CE-CG 4.32Å; S234-E236 VanDerWaalsContact C-N 3.32Å; E236-R251 PolarHBondContact O-N 2.8Å; E236-R251 VanDerWaalsContact O-N 3.08Å; E236-R252 HydrophobicContact CB-CG 4.27Å; E236-R252 IonicContact OE1-CZ 3.18Å; E236-R252 IonicContact OE1-NE 3.17Å; E236-R252 PolarHBondContact OE1-NE 2.95Å; E236-R252 IonicContact OE1-NH2 3.11Å; E236-R252 PolarHBondContact OE1-NH2 3.01Å; E236-R252 VanDerWaalsContact OE2-CG 3.24Å; E236-R252 WeakPolarHBondContact OE2-CG 3.24Å; E236-R252 IonicContact OE2-CZ 2.71Å; E236-R252 IonicContact OE2-NE 2.84Å; E236-R252 PolarHBondContact OE2-NE 3.19Å; E236-R252 IonicContact OE2-NH2 3.68Å | ||
| 237 | T | 93.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 150.3 | 175.5 | 60.4 | 0 | 0 | 0 | 0 | 108.8 | R179 V227 C229 S235 L248 H249 C250 | R179-T237 VanDerWaalsContact CZ-O 3.27Å; R179-T237 PolarHBondContact NH1-O 2.98Å; R179-T237 PolarHBondContact NH2-O 3.42Å; R179-T237 PolarHBondContact NH2-OG1 3.07Å; V227-T237 WeakPolarHBondContact O-CG2 3.49Å; V227-T237 PolarHBondContact O-OG1 2.75Å; C229-T237 HydrophobicContact CB-CG2 3.85Å; S235-T237 PolarHBondContact O-N 3.34Å; T237-L248 HydrophobicContact CG2-CD1 4.47Å; T237-L248 HydrophobicContact CG2-CD2 4.38Å; T237-L248 HydrophobicContact CG2-CG 4.3Å; T237-L248 WeakPolarHBondContact OG1-CD1 3.18Å; T237-H249 CarbonylContact C-O 3.59Å; T237-H249 WeakPolarHBondContact CA-O 3.35Å; T237-H249 WeakPolarHBondContact CB-O 3.48Å; T237-C250 HydrophobicContact CG2-CB 4Å |
| 238 | D | 94.2 | Very high | 91.7 | Very high | 40 Ų | 40 | 61.2 Ų | 61.2 | 21% | 0.214 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 145 | 174 | -66 | -40.6 | 0 | 0 | 0 | 109.9 | L248 H249 R251 | D238-L248 WeakPolarHBondContact O-CA 3.28Å; D238-H249 PolarHBondContact N-O 2.85Å; D238-H249 PolarHBondContact O-N 3.39Å; D238-R251 VanDerWaalsContact CG-NH2 3.33Å; D238-R251 IonicContact OD1-CZ 2.69Å; D238-R251 IonicContact OD1-NE 3.34Å; D238-R251 IonicContact OD1-NH2 2.8Å; D238-R251 PolarHBondContact OD1-NH2 2.8Å; D238-R251 VanDerWaalsContact OD1-NH2 3.11Å; D238-R251 IonicContact OD2-CZ 3.76Å; D238-R251 IonicContact OD2-NE 2.85Å; D238-R251 PolarHBondContact OD2-NE 2.91Å; D238-R251 IonicContact OD2-NH2 2.72Å; D238-R251 PolarHBondContact OD2-NH2 3.34Å |
| 239 | L | 94.3 | Very high | 91.9 | Very high | 38 Ų | 38 | 63 Ų | 63 | 20% | 0.199 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 110.4 | 176 | -168.7 | 70.2 | 0 | 0 | 0 | 109.2 | L246 L248 | L239-L246 HydrophobicContact CD1-CB 4.26Å; L239-L248 HydrophobicContact CD1-CD1 4.42Å |
| 240 | C | 93.2 | Very high | 91.9 | Very high | 58 Ų | 58 | 62.9 Ų | 62.9 | 39% | 0.392 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 129.5 | 179.6 | -59.1 | 0 | 0 | 0 | 0 | 110 | F247 | C240-F247 PolarHBondContact N-O 2.99Å; C240-F247 PolarHBondContact O-N 3.25Å |
| 241 | K | 92.2 | Very high | 92.1 | Very high | 166 Ų | 166 | 67.2 Ų | 67.2 | 72% | 0.722 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 121.7 | 172.8 | -172.4 | 178 | 179.2 | -174 | 0 | 109.2 | L246 | K241-L246 HydrophobicContact CB-CD2 3.8Å; K241-L246 HydrophobicContact CG-CD2 3.93Å |
| 242 | D | 92.9 | Very high | 92 | Very high | 79 Ų | 79 | 65.6 Ų | 65.6 | 42% | 0.422 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 111.8 | 178.2 | -178.6 | 6.7 | 0 | 0 | 0 | 108 | R244 L245 F247 R256 | D242-R244 PolarHBondContact O-N 3.26Å; D242-L245 PolarHBondContact N-O 3.48Å; D242-L245 VanDerWaalsContact N-O 3.09Å; D242-L245 PolarHBondContact O-N 3.43Å; D242-L245 VanDerWaalsContact O-N 3.16Å; D242-L245 VanDerWaalsContact O-O 3.09Å; D242-F247 HydrophobicContact CB-CD2 3.64Å; D242-F247 HydrophobicContact CB-CE2 3.64Å; D242-R256 IonicContact OD2-CZ 3.68Å; D242-R256 IonicContact OD2-NH2 3.41Å; D242-R256 PolarHBondContact OD2-NH2 3.05Å |
| 243 | S | 91.2 | Very high | 92.1 | Very high | 95 Ų | 95 | 67.1 Ų | 67.1 | 66% | 0.664 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | -116.1 | -168 | 72.7 | 0 | 0 | 0 | 0 | 113.7 | ||
| 244 | R | 91.2 | Very high | 92.2 | Very high | 224 Ų | 224 | 64.3 Ų | 64.3 | 85% | 0.845 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -11.8 | -179.6 | -60.2 | 179.7 | -175.7 | 169.6 | 1.7 | 112.7 | D242 T261 | D242-R244 PolarHBondContact O-N 3.26Å; R244-T261 WeakPolarHBondContact O-CG2 3.41Å |
| 245 | L | 93.5 | Very high | 92.5 | Very high | 87 Ų | 87 | 65.4 Ų | 65.4 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 152.9 | -174.5 | -60 | 177.7 | 0 | 0 | 0 | 110.7 | D242 F247 | D242-L245 PolarHBondContact N-O 3.48Å; D242-L245 VanDerWaalsContact N-O 3.09Å; D242-L245 PolarHBondContact O-N 3.43Å; D242-L245 VanDerWaalsContact O-N 3.16Å; D242-L245 VanDerWaalsContact O-O 3.09Å; L245-F247 HydrophobicContact CB-CE2 3.93Å; L245-F247 HydrophobicContact CB-CZ 4.34Å; L245-F247 HydrophobicContact CD1-CZ 4.42Å |
| 246 | L | 94.4 | Very high | 92.7 | Very high | 21 Ų | 21 | 70.2 Ų | 70.2 | 11% | 0.11 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 131.1 | 170.8 | -69.8 | 172.8 | 0 | 0 | 0 | 108.6 | L239 K241 V259 T261 | L239-L246 HydrophobicContact CD1-CB 4.26Å; K241-L246 HydrophobicContact CB-CD2 3.8Å; K241-L246 HydrophobicContact CG-CD2 3.93Å; L246-V259 PolarHBondContact O-N 2.64Å; L246-T261 HydrophobicContact CD1-CG2 4.31Å; L246-T261 HydrophobicContact CG-CG2 4.13Å |
| 247 | F | 95.2 | Very high | 92.8 | Very high | 31 Ų | 31 | 70.3 Ų | 70.3 | 14% | 0.136 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 132.4 | 176.5 | -67.1 | -88.5 | 0 | 0 | 0 | 109.9 | C240 D242 L245 R256 F257 T258 | C240-F247 PolarHBondContact N-O 2.99Å; C240-F247 PolarHBondContact O-N 3.25Å; D242-F247 HydrophobicContact CB-CD2 3.64Å; D242-F247 HydrophobicContact CB-CE2 3.64Å; L245-F247 HydrophobicContact CB-CE2 3.93Å; L245-F247 HydrophobicContact CB-CZ 4.34Å; L245-F247 HydrophobicContact CD1-CZ 4.42Å; F247-R256 HydrophobicContact CB-CG 4.22Å; F247-R256 HydrophobicContact CD1-CG 3.85Å; F247-R256 HydrophobicContact CG-CG 4.39Å; F247-F257 CarbonylContact C-O 3.6Å; F247-F257 VanDerWaalsContact CA-O 3.28Å; F247-F257 WeakPolarHBondContact CA-O 3.33Å; F247-T258 HydrophobicContact CD1-CG2 3.79Å; F247-T258 HydrophobicContact CE1-CG2 3.35Å; F247-T258 HydrophobicContact CZ-CG2 4.12Å |
| 248 | L | 94.9 | Very high | 92.8 | Very high | 5 Ų | 5 | 75.1 Ų | 75.1 | 3% | 0.026 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 115.4 | 169.6 | -171.9 | 73.1 | 0 | 0 | 0 | 108 | R179 Y226 T237 D238 L239 R256 F257 V259 | R179-L248 VanDerWaalsContact NH2-CD1 3.26Å; Y226-L248 VanDerWaalsContact O-CD1 3.27Å; Y226-L248 WeakPolarHBondContact O-CD1 3.48Å; T237-L248 HydrophobicContact CG2-CD1 4.47Å; T237-L248 HydrophobicContact CG2-CD2 4.38Å; T237-L248 HydrophobicContact CG2-CG 4.3Å; T237-L248 WeakPolarHBondContact OG1-CD1 3.18Å; D238-L248 WeakPolarHBondContact O-CA 3.28Å; L239-L248 HydrophobicContact CD1-CD1 4.42Å; L248-R256 WeakPolarHBondContact O-CA 3.26Å; L248-F257 HydrophobicContact CB-CB 4.39Å; L248-F257 PolarHBondContact N-O 3.17Å; L248-F257 PolarHBondContact O-N 2.84Å; L248-V259 HydrophobicContact CB-CG2 3.58Å; L248-V259 HydrophobicContact CD2-CG2 4.44Å |
| 249 | H | 95.5 | Very high | 92.8 | Very high | 74 Ų | 74 | 74.1 Ų | 74.1 | 34% | 0.343 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 125.6 | 177.4 | -178 | 57.8 | 0 | 0 | 0 | 109.7 | T237 D238 | T237-H249 CarbonylContact C-O 3.59Å; T237-H249 WeakPolarHBondContact CA-O 3.35Å; T237-H249 WeakPolarHBondContact CB-O 3.48Å; D238-H249 PolarHBondContact N-O 2.85Å; D238-H249 PolarHBondContact O-N 3.39Å |
| 250 | C | 94.4 | Very high | 92.7 | Very high | 1 Ų | 1 | 80.4 Ų | 80.4 | 1% | 0.007 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 127 | 179 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | C229 C232 S234 T237 C253 G254 S255 | C229-C250 HydrophobicContact CB-CB 4.23Å; C232-C250 VanDerWaalsContact SG-SG 3.63Å; S234-C250 PolarHBondContact OG-SG 3.38Å; T237-C250 HydrophobicContact CG2-CB 4Å; C250-C253 VanDerWaalsContact CB-SG 3.51Å; C250-C253 PolarHBondContact SG-SG 2.95Å; C250-G254 WeakPolarHBondContact O-CA 3.44Å; C250-G254 PolarHBondContact O-N 2.96Å; C250-S255 PolarHBondContact N-O 3.44Å |
| 251 | R | 91.3 | Very high | 92.7 | Very high | 155 Ų | 155 | 80.4 Ų | 80.4 | 59% | 0.585 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -29.6 | 179.1 | -66.3 | -171.2 | -179.9 | -177.7 | 3.4 | 113.5 | E236 D238 | E236-R251 PolarHBondContact O-N 2.8Å; E236-R251 VanDerWaalsContact O-N 3.08Å; D238-R251 VanDerWaalsContact CG-NH2 3.33Å; D238-R251 IonicContact OD1-CZ 2.69Å; D238-R251 IonicContact OD1-NE 3.34Å; D238-R251 IonicContact OD1-NH2 2.8Å; D238-R251 PolarHBondContact OD1-NH2 2.8Å; D238-R251 VanDerWaalsContact OD1-NH2 3.11Å; D238-R251 IonicContact OD2-CZ 3.76Å; D238-R251 IonicContact OD2-NE 2.85Å; D238-R251 PolarHBondContact OD2-NE 2.91Å; D238-R251 IonicContact OD2-NH2 2.72Å; D238-R251 PolarHBondContact OD2-NH2 3.34Å |
| 252 | R | 87.8 | Confident | 92.8 | Very high | 56 Ų | 56 | 73.9 Ų | 73.9 | 21% | 0.211 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -51.1 | -177 | -63.3 | -166.1 | -176.2 | -178.9 | -7.4 | 113.2 | E141 R148 E236 | E141-R252 IonicContact OE2-CZ 2.82Å; E141-R252 IonicContact OE2-NH1 3.64Å; E141-R252 PolarHBondContact OE2-NH1 3.33Å; E141-R252 IonicContact OE2-NH2 2.8Å; E141-R252 PolarHBondContact OE2-NH2 3.37Å; R148-R252 VanDerWaalsContact CZ-NH1 3.25Å; E236-R252 HydrophobicContact CB-CG 4.27Å; E236-R252 IonicContact OE1-CZ 3.18Å; E236-R252 IonicContact OE1-NE 3.17Å; E236-R252 PolarHBondContact OE1-NE 2.95Å; E236-R252 IonicContact OE1-NH2 3.11Å; E236-R252 PolarHBondContact OE1-NH2 3.01Å; E236-R252 VanDerWaalsContact OE2-CG 3.24Å; E236-R252 WeakPolarHBondContact OE2-CG 3.24Å; E236-R252 IonicContact OE2-CZ 2.71Å; E236-R252 IonicContact OE2-NE 2.84Å; E236-R252 PolarHBondContact OE2-NE 3.19Å; E236-R252 IonicContact OE2-NH2 3.68Å |
| 253 | C | 88.8 | Confident | 92.6 | Very high | 60 Ų | 60 | 74.8 Ų | 74.8 | 41% | 0.405 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -5.4 | -177.2 | 63 | 0 | 0 | 0 | 0 | 114 | C229 T231 C232 C250 S255 | C229-C253 VanDerWaalsContact SG-SG 3.68Å; T231-C253 PolarHBondContact OG1-SG 2.86Å; T231-C253 VanDerWaalsContact OG1-SG 3.35Å; C232-C253 HydrophobicContact CB-CB 4.46Å; C232-C253 PolarHBondContact SG-SG 2.85Å; C250-C253 VanDerWaalsContact CB-SG 3.51Å; C250-C253 PolarHBondContact SG-SG 2.95Å; C253-S255 PolarHBondContact O-N 3.39Å; C253-S255 VanDerWaalsContact O-N 3.09Å; C253-S255 PolarHBondContact SG-OG 3.02Å |
| 254 | G | 90 | Very high | 92.3 | Very high | 47 Ų | 47 | 74.6 Ų | 74.6 | 49% | 0.485 | 38% | 0.375 | S | S | . | . | trans | 69.7 | 0.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115 | C250 | C250-G254 WeakPolarHBondContact O-CA 3.44Å; C250-G254 PolarHBondContact O-N 2.96Å | ||
| 255 | S | 92.8 | Very high | 91.9 | Very high | 24 Ų | 24 | 66.8 Ų | 66.8 | 17% | 0.168 | 36% | 0.364 | C | S | . | . | trans | -65 | 147.5 | -178.9 | 64.9 | 0 | 0 | 0 | 0 | 112.1 | C229 C250 C253 F257 | C229-S255 PolarHBondContact SG-OG 3.43Å; C229-S255 VanDerWaalsContact SG-OG 3.34Å; C250-S255 PolarHBondContact N-O 3.44Å; C253-S255 PolarHBondContact O-N 3.39Å; C253-S255 VanDerWaalsContact O-N 3.09Å; C253-S255 PolarHBondContact SG-OG 3.02Å; S255-F257 WeakPolarHBondContact OG-CE2 3.39Å | ||
| 256 | R | 94 | Very high | 91.5 | Very high | 142 Ų | 142 | 71.2 Ų | 71.2 | 54% | 0.536 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 117.6 | 174.9 | -175.8 | 173 | 176.8 | 156.7 | -4.7 | 108.7 | D242 F247 L248 | D242-R256 IonicContact OD2-CZ 3.68Å; D242-R256 IonicContact OD2-NH2 3.41Å; D242-R256 PolarHBondContact OD2-NH2 3.05Å; F247-R256 HydrophobicContact CB-CG 4.22Å; F247-R256 HydrophobicContact CD1-CG 3.85Å; F247-R256 HydrophobicContact CG-CG 4.39Å; L248-R256 WeakPolarHBondContact O-CA 3.26Å |
| 257 | F | 93 | Very high | 90.9 | Very high | 73 Ų | 73 | 74.8 Ų | 74.8 | 32% | 0.32 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 138.4 | 178.2 | -71.4 | -78 | 0 | 0 | 0 | 110.7 | T231 F247 L248 S255 | T231-F257 HydrophobicContact CG2-CE2 4.18Å; T231-F257 HydrophobicContact CG2-CZ 3.61Å; F247-F257 CarbonylContact C-O 3.6Å; F247-F257 VanDerWaalsContact CA-O 3.28Å; F247-F257 WeakPolarHBondContact CA-O 3.33Å; L248-F257 HydrophobicContact CB-CB 4.39Å; L248-F257 PolarHBondContact N-O 3.17Å; L248-F257 PolarHBondContact O-N 2.84Å; S255-F257 WeakPolarHBondContact OG-CE2 3.39Å |
| 258 | T | 94.3 | Very high | 90.2 | Very high | 102 Ų | 102 | 76 Ų | 76 | 63% | 0.626 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78 | 126.6 | 166.3 | 51 | 0 | 0 | 0 | 0 | 109.3 | F247 | F247-T258 HydrophobicContact CD1-CG2 3.79Å; F247-T258 HydrophobicContact CE1-CG2 3.35Å; F247-T258 HydrophobicContact CZ-CG2 4.12Å |
| 259 | V | 94.1 | Very high | 89.3 | Confident | 18 Ų | 18 | 79.4 Ų | 79.4 | 11% | 0.109 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 150.6 | 176.5 | -172.2 | 0 | 0 | 0 | 0 | 109.9 | T225 Y226 L246 L248 T261 | T225-V259 HydrophobicContact CG2-CG1 3.76Å; T225-V259 WeakPolarHBondContact O-CG1 3.27Å; Y226-V259 HydrophobicContact CD1-CB 4.43Å; Y226-V259 HydrophobicContact CD1-CG1 3.47Å; Y226-V259 VanDerWaalsContact CD1-CG1 3.47Å; Y226-V259 HydrophobicContact CE1-CB 4.4Å; Y226-V259 HydrophobicContact CE1-CG1 3.34Å; Y226-V259 HydrophobicContact CG-CG1 4.31Å; L246-V259 PolarHBondContact O-N 2.64Å; L248-V259 HydrophobicContact CB-CG2 3.58Å; L248-V259 HydrophobicContact CD2-CG2 4.44Å; V259-T261 PolarHBondContact O-N 3.32Å |
| 260 | K | 93 | Very high | 88.4 | Confident | 170 Ų | 170 | 81.2 Ų | 81.2 | 74% | 0.739 | 45% | 0.446 | S | S | * | . | trans | -57 | 137.1 | 174.8 | -64.6 | -178.6 | -178.8 | 178 | 0 | 109.8 | Y226 | Y226-K260 VanDerWaalsContact CE1-O 3.27Å; Y226-K260 WeakPolarHBondContact CE1-O 3.45Å; Y226-K260 PolarHBondContact OH-O 3.42Å; Y226-K260 VanDerWaalsContact OH-O 3.06Å | ||
| 261 | T | 93.1 | Very high | 87.4 | Confident | 59 Ų | 59 | 84.3 Ų | 84.3 | 36% | 0.362 | 48% | 0.479 | S | S | . | . | trans | -75.7 | 135.5 | 172.5 | 53.1 | 0 | 0 | 0 | 0 | 109.8 | R244 L246 V259 T263 | R244-T261 WeakPolarHBondContact O-CG2 3.41Å; L246-T261 HydrophobicContact CD1-CG2 4.31Å; L246-T261 HydrophobicContact CG-CG2 4.13Å; V259-T261 PolarHBondContact O-N 3.32Å; T261-T263 PolarHBondContact O-N 2.86Å; T261-T263 PolarHBondContact O-OG1 3.05Å; T261-T263 PolarHBondContact OG1-OG1 3.45Å | ||
| 262 | V | 92.6 | Very high | 86.6 | Confident | 29 Ų | 29 | 82.7 Ų | 82.7 | 18% | 0.176 | 48% | 0.476 | C | S | . | . | trans | -68.3 | 102.9 | 173.2 | -175.2 | 0 | 0 | 0 | 0 | 107.9 | H183 T186 Y187 Y226 | H183-V262 WeakPolarHBondContact NE2-CG2 3.33Å; T186-V262 HydrophobicContact CG2-CG1 3.82Å; Y187-V262 HydrophobicContact CD2-CG1 4.44Å; Y187-V262 HydrophobicContact CD2-CG2 4.04Å; Y226-V262 HydrophobicContact CE1-CG2 4.18Å; Y226-V262 HydrophobicContact CE2-CG2 4.43Å; Y226-V262 WeakPolarHBondContact OH-CG2 3.48Å | ||
| 263 | T | 88.5 | Confident | 86 | Confident | 98 Ų | 98 | 86.4 Ų | 86.4 | 60% | 0.601 | 49% | 0.49 | S | S | * | . | trans | -114.8 | 124.2 | 178.3 | -55.8 | 0 | 0 | 0 | 0 | 108 | T190 T261 G265 | T190-T263 WeakPolarHBondContact CG2-O 3.27Å; T261-T263 PolarHBondContact O-N 2.86Å; T261-T263 PolarHBondContact O-OG1 3.05Å; T261-T263 PolarHBondContact OG1-OG1 3.45Å; T263-G265 PolarHBondContact O-N 2.98Å | ||
| 264 | S | 85.7 | Confident | 85.5 | Confident | 90 Ų | 90 | 86.8 Ų | 86.8 | 63% | 0.629 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 120.2 | 172.4 | 49.2 | 0 | 0 | 0 | 0 | 109.4 | ||
| 265 | G | 83.3 | Confident | 85.1 | Confident | 60 Ų | 60 | 87.1 Ų | 87.1 | 62% | 0.619 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 156.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | T263 Q267 | T263-G265 PolarHBondContact O-N 2.98Å; G265-Q267 PolarHBondContact O-N 3.29Å; G265-Q267 VanDerWaalsContact O-N 3.16Å |
| 266 | F | 84.2 | Confident | 84.6 | Confident | 181 Ų | 181 | 90.6 Ų | 90.6 | 79% | 0.794 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 117.5 | 173.3 | 177.5 | -99.2 | 0 | 0 | 0 | 110.3 | A268 | F266-A268 HydrophobicContact CE1-CB 4.16Š|
| 267 | Q | 82 | Confident | 84.2 | Confident | 96 Ų | 96 | 92.4 Ų | 92.4 | 45% | 0.449 | 52% | 0.519 | S | S | . | . | trans | -94 | 107.6 | 176.1 | -170.4 | 174.2 | 28.7 | 0 | 0 | 110.4 | G193 G265 L269 | G193-Q267 PolarHBondContact O-NE2 3.38Å; G265-Q267 PolarHBondContact O-N 3.29Å; G265-Q267 VanDerWaalsContact O-N 3.16Å; Q267-L269 PolarHBondContact O-N 2.81Å | ||
| 268 | A | 79.9 | Confident | 83.8 | Confident | 57 Ų | 57 | 91.9 Ų | 91.9 | 47% | 0.471 | 53% | 0.528 | S | S | . | . | trans | -63.7 | 123.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | F266 T270 | F266-A268 HydrophobicContact CE1-CB 4.16Å; A268-T270 PolarHBondContact O-N 3.37Å | ||
| 269 | L | 77.9 | Confident | 83.4 | Confident | 76 Ų | 76 | 95.1 Ų | 95.1 | 40% | 0.398 | 53% | 0.534 | S | S | . | . | trans | -78.7 | 37.5 | 177.2 | -61.6 | 176.8 | 0 | 0 | 0 | 112.5 | Q267 G271 K272 R273 | Q267-L269 PolarHBondContact O-N 2.81Å; L269-G271 VanDerWaalsContact C-N 3.34Å; L269-G271 PolarHBondContact O-N 3.02Å; L269-K272 HydrophobicContact CB-CB 4.35Å; L269-K272 HydrophobicContact CD2-CD 4Å; L269-K272 PolarHBondContact O-N 3.16Å; L269-R273 HydrophobicContact CB-CG 4.2Å; L269-R273 WeakPolarHBondContact O-CG 3.29Å; L269-R273 PolarHBondContact O-N 2.98Å | ||
| 270 | T | 75 | Confident | 83 | Confident | 111 Ų | 111 | 100 Ų | 100 | 68% | 0.681 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -56.1 | -45 | -167.1 | -40.5 | 0 | 0 | 0 | 0 | 112.2 | A268 | A268-T270 PolarHBondContact O-N 3.37Å |
| 271 | G | 73.9 | Confident | 82 | Confident | 67 Ų | 67 | 102.5 Ų | 102.5 | 69% | 0.691 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -79 | -27.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115 | L269 | L269-G271 VanDerWaalsContact C-N 3.34Å; L269-G271 PolarHBondContact O-N 3.02Å |
| 272 | K | 75.1 | Confident | 81.4 | Confident | 120 Ų | 120 | 104.7 Ų | 104.7 | 52% | 0.522 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -82.5 | -25.2 | -177.6 | -67.5 | 174.9 | -174.7 | 165.4 | 0 | 112.4 | L269 A274 A275 L276 | L269-K272 HydrophobicContact CB-CB 4.35Å; L269-K272 HydrophobicContact CD2-CD 4Å; L269-K272 PolarHBondContact O-N 3.16Å; K272-A274 PolarHBondContact O-N 2.73Å; K272-A275 PolarHBondContact O-N 3.01Å; K272-L276 HydrophobicContact CB-CD1 4.35Å; K272-L276 WeakPolarHBondContact O-CB 3.47Å; K272-L276 WeakPolarHBondContact O-CG 3.46Å; K272-L276 PolarHBondContact O-N 3.25Å |
| 273 | R | 75.2 | Confident | 80.8 | Confident | 134 Ų | 134 | 108.7 Ų | 108.7 | 51% | 0.506 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -59.5 | -44.6 | -179.7 | -79.7 | 174.8 | -176.3 | -174.7 | 2.1 | 112.6 | L269 L276 R277 | L269-R273 HydrophobicContact CB-CG 4.2Å; L269-R273 WeakPolarHBondContact O-CG 3.29Å; L269-R273 PolarHBondContact O-N 2.98Å; R273-L276 PolarHBondContact O-N 2.94Å; R273-R277 WeakPolarHBondContact O-CB 3.25Å; R273-R277 VanDerWaalsContact O-CG 3.3Å; R273-R277 WeakPolarHBondContact O-CG 3.38Å; R273-R277 PolarHBondContact O-N 2.93Å |
| 274 | A | 78.5 | Confident | 80.4 | Confident | 69 Ų | 69 | 109.3 Ų | 109.3 | 57% | 0.57 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63 | -47.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | K272 L276 R277 A278 | K272-A274 PolarHBondContact O-N 2.73Å; A274-L276 VanDerWaalsContact C-N 3.34Å; A274-L276 PolarHBondContact O-N 3.1Å; A274-R277 PolarHBondContact O-N 3.41Å; A274-A278 WeakPolarHBondContact O-CB 3.44Å; A274-A278 PolarHBondContact O-N 2.97Å |
| 275 | A | 82 | Confident | 80.1 | Confident | 54 Ų | 54 | 110.4 Ų | 110.4 | 45% | 0.446 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.3 | -33.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | K272 K279 | K272-A275 PolarHBondContact O-N 3.01Å; A275-K279 WeakPolarHBondContact O-CG 3.5Å; A275-K279 PolarHBondContact O-N 3.19Å |
| 276 | L | 82 | Confident | 79.9 | Confident | 96 Ų | 96 | 113.6 Ų | 113.6 | 50% | 0.503 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -70.3 | -42.7 | 174.8 | -73 | 168 | 0 | 0 | 0 | 111.3 | K272 R273 A274 A278 K279 T280 | K272-L276 HydrophobicContact CB-CD1 4.35Å; K272-L276 WeakPolarHBondContact O-CB 3.47Å; K272-L276 WeakPolarHBondContact O-CG 3.46Å; K272-L276 PolarHBondContact O-N 3.25Å; R273-L276 PolarHBondContact O-N 2.94Å; A274-L276 VanDerWaalsContact C-N 3.34Å; A274-L276 PolarHBondContact O-N 3.1Å; L276-A278 VanDerWaalsContact C-N 3.34Å; L276-A278 PolarHBondContact O-N 3.1Å; L276-K279 PolarHBondContact O-N 3.38Å; L276-T280 PolarHBondContact O-N 3.43Å; L276-T280 PolarHBondContact O-OG1 2.84Å |
| 277 | R | 84.9 | Confident | 79.6 | Confident | 180 Ų | 180 | 109.1 Ų | 109.1 | 68% | 0.679 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.3 | -39.8 | 175.7 | -75.5 | 174.4 | 175.7 | 176.4 | -3.6 | 112.4 | R273 A274 K279 T280 | R273-R277 WeakPolarHBondContact O-CB 3.25Å; R273-R277 VanDerWaalsContact O-CG 3.3Å; R273-R277 WeakPolarHBondContact O-CG 3.38Å; R273-R277 PolarHBondContact O-N 2.93Å; A274-R277 PolarHBondContact O-N 3.41Å; R277-K279 VanDerWaalsContact C-N 3.26Å; R277-K279 PolarHBondContact O-N 3.43Å; R277-T280 WeakPolarHBondContact CA-OG1 3.49Å; R277-T280 PolarHBondContact O-N 3.29Å; R277-T280 PolarHBondContact O-OG1 2.83Å |
| 278 | A | 85.4 | Confident | 79.4 | Confident | 63 Ų | 63 | 110 Ų | 110 | 52% | 0.521 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -68.2 | -23 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A274 L276 | A274-A278 WeakPolarHBondContact O-CB 3.44Å; A274-A278 PolarHBondContact O-N 2.97Å; L276-A278 VanDerWaalsContact C-N 3.34Å; L276-A278 PolarHBondContact O-N 3.1Å |
| 279 | K | 86 | Confident | 79.4 | Confident | 170 Ų | 170 | 114.1 Ų | 114.1 | 74% | 0.739 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -85.1 | -16.5 | 176.4 | -75.2 | 177.7 | -179.4 | -167.7 | 0 | 113.9 | A275 L276 R277 | A275-K279 WeakPolarHBondContact O-CG 3.5Å; A275-K279 PolarHBondContact O-N 3.19Å; L276-K279 PolarHBondContact O-N 3.38Å; R277-K279 VanDerWaalsContact C-N 3.26Å; R277-K279 PolarHBondContact O-N 3.43Å |
| 280 | T | 85.8 | Confident | 79.5 | Confident | 121 Ų | 121 | 117.3 Ų | 117.3 | 74% | 0.742 | 64% | 0.636 | S | S | * | * | trans | -93.1 | -8.4 | 179.2 | 44.5 | 0 | 0 | 0 | 0 | 113.4 | L276 R277 | L276-T280 PolarHBondContact O-N 3.43Å; L276-T280 PolarHBondContact O-OG1 2.84Å; R277-T280 WeakPolarHBondContact CA-OG1 3.49Å; R277-T280 PolarHBondContact O-N 3.29Å; R277-T280 PolarHBondContact O-OG1 2.83Å | ||
| 281 | Q | 70.3 | Confident | 79.9 | Confident | 222 Ų | 222 | 117.8 Ų | 117.8 | 100% | 1.037 | 63% | 0.632 | S | S | * | * | trans | -95.1 | 0 | 169.6 | -67.8 | -177.9 | -15.5 | 0 | 0 | 109.1 |
Retrieved 281 of 281 residues in 109.1 ms
(Link to these results)