| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.5 | Very low | 45.2 | Very low | 228 Ų | 228 | 152.3 Ų | 152.3 | 100% | 1.123 | 82% | 0.823 | S | S | * | * | 0 | 81.6 | 0 | -65.6 | 170.8 | 177.7 | 0 | 0 | 106 | |||||
| 2 | N | 41.8 | Very low | 45.1 | Very low | 138 Ų | 138 | 148.2 Ų | 148.2 | 74% | 0.738 | 82% | 0.815 | S | S | * | * | 64.5 | 96.9 | 55.1 | -55.2 | 46.7 | 0 | 0 | 0 | 111.8 | |||||
| 3 | M | 41.3 | Very low | 45 | Very low | 192 Ų | 192 | 153.2 Ų | 153.2 | 95% | 0.946 | 82% | 0.817 | S | S | * | * | trans | -133.8 | 138.8 | 131.3 | -76.4 | -159.9 | -73.9 | 0 | 0 | 107.7 | ||||
| 4 | F | 43.6 | Very low | 45 | Very low | 192 Ų | 192 | 151.6 Ų | 151.6 | 84% | 0.842 | 82% | 0.815 | S | S | * | * | trans | -87.5 | 144.3 | 172.2 | -74.6 | -106.5 | 0 | 0 | 0 | 108.6 | ||||
| 5 | Q | 44.8 | Very low | 44.9 | Very low | 191 Ų | 191 | 154.6 Ų | 154.6 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | trans | -111.3 | 125.1 | 162.9 | -164.1 | 95.9 | 37 | 0 | 0 | 107.6 | ||||
| 6 | T | 45 | Very low | 44.6 | Very low | 127 Ų | 127 | 156.8 Ų | 156.8 | 78% | 0.779 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 143.7 | -175.7 | 43.4 | 0 | 0 | 0 | 0 | 112.2 | ||
| 7 | V | 52.3 | Low | 44.1 | Very low | 137 Ų | 137 | 153.1 Ų | 153.1 | 83% | 0.83 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 131.7 | 171.1 | -171.4 | 0 | 0 | 0 | 0 | 108.9 | ||
| 8 | P | 52.2 | Low | 43.6 | Very low | 117 Ų | 117 | 154.2 Ų | 154.2 | 76% | 0.76 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 143.6 | 172.7 | 31.5 | -33.4 | 0 | 0 | 0 | 112.1 | ||
| 9 | D | 42.3 | Very low | 43.3 | Very low | 132 Ų | 132 | 151.7 Ų | 151.7 | 71% | 0.706 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 143.5 | 177.5 | -175.4 | -3.9 | 0 | 0 | 0 | 111.5 | S11 | D9-S11 VanDerWaalsContact OD1-CB 3.3Å; D9-S11 WeakPolarHBondContact OD1-CB 3.24Å; D9-S11 PolarHBondContact OD1-N 3.01Å |
| 10 | T | 50.9 | Low | 42.9 | Very low | 124 Ų | 124 | 151.1 Ų | 151.1 | 76% | 0.761 | 82% | 0.821 | S | S | * | * | trans | -96.1 | 1.9 | -179.6 | 50.7 | 0 | 0 | 0 | 0 | 114.3 | S12 | T10-S12 PolarHBondContact O-N 3.48Š| ||
| 11 | S | 46.6 | Very low | 42.4 | Very low | 97 Ų | 97 | 150.8 Ų | 150.8 | 68% | 0.678 | 82% | 0.823 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -4.3 | -176.9 | -164.4 | 0 | 0 | 0 | 0 | 116.3 | D9 | D9-S11 VanDerWaalsContact OD1-CB 3.3Å; D9-S11 WeakPolarHBondContact OD1-CB 3.24Å; D9-S11 PolarHBondContact OD1-N 3.01Å |
| 12 | S | 44 | Very low | 42.4 | Very low | 103 Ų | 103 | 145 Ų | 145 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -21.4 | -173.7 | 55.9 | 0 | 0 | 0 | 0 | 116.2 | T10 V14 | T10-S12 PolarHBondContact O-N 3.48Å; S12-V14 VanDerWaalsContact C-N 3.35Å; S12-V14 PolarHBondContact O-N 3.05Å |
| 13 | Y | 43.9 | Very low | 42.2 | Very low | 214 Ų | 214 | 147.6 Ų | 147.6 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -83.2 | 1.8 | -164.7 | -152 | -104.2 | 0 | 0 | 0 | 115.9 | ||
| 14 | V | 45.1 | Very low | 42 | Very low | 131 Ų | 131 | 144.8 Ų | 144.8 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -110.1 | 31.8 | -167.6 | -156.1 | 0 | 0 | 0 | 0 | 113.2 | S12 | S12-V14 VanDerWaalsContact C-N 3.35Å; S12-V14 PolarHBondContact O-N 3.05Å |
| 15 | K | 42.8 | Very low | 41.5 | Very low | 196 Ų | 196 | 143.5 Ų | 143.5 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -132 | -2 | 178.5 | -72.5 | -171.1 | 176.6 | 178.6 | 0 | 116.3 | ||
| 16 | E | 41.1 | Very low | 41.1 | Very low | 190 Ų | 190 | 139.8 Ų | 139.8 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -107.7 | 24.7 | -174.6 | -147.9 | 176 | 156.6 | 0 | 0 | 113.7 | ||
| 17 | A | 35.8 | Very low | 40.6 | Very low | 93 Ų | 93 | 141 Ų | 141 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -124.3 | 5.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 18 | L | 34.6 | Very low | 39.7 | Very low | 174 Ų | 174 | 143.8 Ų | 143.8 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -135.4 | 32.6 | -174.7 | -69.5 | 175.3 | 0 | 0 | 0 | 113 | ||
| 19 | S | 39.1 | Very low | 39.1 | Very low | 107 Ų | 107 | 146.2 Ų | 146.2 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -146.9 | 52.2 | -175.2 | -174.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 20 | V | 34.8 | Very low | 39.3 | Very low | 139 Ų | 139 | 145 Ų | 145 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | trans | -148.1 | 150.8 | 166.5 | -118.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 21 | V | 32 | Very low | 39.6 | Very low | 144 Ų | 144 | 143.3 Ų | 143.3 | 87% | 0.873 | 79% | 0.788 | S | S | * | * | trans | 72.4 | 72.7 | 179.8 | -162.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 22 | S | 35.6 | Very low | 38.9 | Very low | 106 Ų | 106 | 149 Ų | 149 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -137.5 | 125.8 | 138.9 | -78.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 23 | E | 39 | Very low | 38.2 | Very low | 193 Ų | 193 | 148.3 Ų | 148.3 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | 64.3 | 143.6 | 166.8 | -62 | 161.7 | 140.6 | 0 | 0 | 114.6 | ||||
| 24 | D | 36 | Very low | 37.7 | Very low | 134 Ų | 134 | 143.1 Ų | 143.1 | 72% | 0.717 | 80% | 0.798 | S | S | * | * | cis | -160.1 | 172.2 | 45.8 | -164.6 | 0.8 | 0 | 0 | 0 | 113.1 | ||||
| 25 | Q | 32.7 | Very low | 37 | Very low | 164 Ų | 164 | 142.1 Ų | 142.1 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | trans | 72.4 | 106.1 | 151.4 | -94.8 | 163.2 | 82.9 | 0 | 0 | 123.3 | ||||
| 26 | S | 36.5 | Very low | 36.6 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -40.6 | 148.3 | 154.7 | -178.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 27 | L | 36 | Very low | 36.9 | Very low | 153 Ų | 153 | 133.5 Ų | 133.5 | 80% | 0.801 | 79% | 0.792 | S | S | * | * | trans | -144.1 | 146.3 | 160 | -98.5 | 165.5 | 0 | 0 | 0 | 110 | ||||
| 28 | F | 33.6 | Very low | 36.6 | Very low | 195 Ų | 195 | 136.5 Ų | 136.5 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | 78 | 81.8 | -180 | -65.1 | -78.7 | 0 | 0 | 0 | 119.6 | ||||
| 29 | E | 39.7 | Very low | 37.2 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | -90 | 178 | 124.1 | -122.2 | -153.3 | 99.8 | 0 | 0 | 108.1 | |||||
| 30 | P | 46.3 | Very low | 36.9 | Very low | 108 Ų | 108 | 137 Ų | 137 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | cis | -143.9 | -149.1 | 23.7 | 48.4 | -27.6 | 0 | 0 | 0 | 112.5 | ||||
| 31 | P | 55.6 | Low | 36.8 | Very low | 88 Ų | 88 | 137.3 Ų | 137.3 | 57% | 0.571 | 79% | 0.79 | S | S | * | * | cis | -132.8 | 177.2 | -25.3 | 32.7 | -12.9 | 0 | 0 | 0 | 116.2 | ||||
| 32 | Y | 31.9 | Very low | 36.6 | Very low | 217 Ų | 217 | 136.7 Ų | 136.7 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | trans | 82 | 94.2 | 149 | -74.9 | -58.3 | 0 | 0 | 0 | 123.4 | ||||
| 33 | A | 30.6 | Very low | 36.7 | Very low | 88 Ų | 88 | 141 Ų | 141 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | 68.1 | 106.2 | 113.8 | 0 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 34 | A | 32.6 | Very low | 36.6 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | 54.9 | 109.6 | 118.8 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 35 | A | 30.3 | Very low | 36.4 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | trans | -158.4 | 156.2 | 141.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 36 | A | 34.4 | Very low | 36.3 | Very low | 97 Ų | 97 | 133.5 Ų | 133.5 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | trans | -163.9 | 165.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 37 | P | 47.9 | Very low | 35.9 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | cis | -132.8 | -169.1 | -23 | 37.2 | -18.8 | 0 | 0 | 0 | 113.4 | ||||
| 38 | L | 30.2 | Very low | 35.6 | Very low | 156 Ų | 156 | 130.4 Ų | 130.4 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | trans | 72.4 | 163 | 160.9 | -65.3 | 168.4 | 0 | 0 | 0 | 118.4 | ||||
| 39 | P | 46.7 | Very low | 35.4 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | cis | -125.7 | 175.1 | -8 | 31.7 | -11.5 | 0 | 0 | 0 | 116.6 | ||||
| 40 | K | 33.5 | Very low | 34.8 | Very low | 173 Ų | 173 | 126.4 Ų | 126.4 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | trans | -41 | 157.7 | 172.9 | -50.9 | 169.2 | 176.7 | -176.2 | 0 | 118.5 | ||||
| 41 | T | 32.4 | Very low | 34 | Very low | 146 Ų | 146 | 131.2 Ų | 131.2 | 90% | 0.896 | 78% | 0.781 | S | S | * | * | trans | -137.6 | 142.8 | 134.7 | 31.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 42 | D | 27.4 | Very low | 32.7 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | -88.6 | 160.7 | -178.3 | -61.8 | -104.7 | 0 | 0 | 0 | 112.9 | ||||
| 43 | M | 37.4 | Very low | 32.8 | Very low | 197 Ų | 197 | 130 Ų | 130 | 97% | 0.97 | 78% | 0.784 | S | S | * | * | trans | -129.3 | 124.2 | 155.8 | -79.4 | -168.2 | 70.7 | 0 | 0 | 109.7 | ||||
| 44 | T | 37.2 | Very low | 33.3 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | -122 | 119.5 | -166.5 | -72.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 45 | A | 31.2 | Very low | 33.2 | Very low | 83 Ų | 83 | 133.5 Ų | 133.5 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | trans | 47.7 | 147 | 143.7 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 46 | S | 30.9 | Very low | 33.1 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 90% | 0.895 | 77% | 0.773 | S | S | * | * | trans | 70.9 | 153.2 | 155 | -56.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 47 | G | 28.2 | Very low | 33 | Very low | 71 Ų | 71 | 139.7 Ų | 139.7 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | cis | 178.9 | 175.6 | -4.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 48 | T | 29 | Very low | 32.1 | Very low | 131 Ų | 131 | 141.4 Ų | 141.4 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -32.8 | 155.9 | 165.8 | 39.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 49 | Q | 29.6 | Very low | 32.6 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | cis | -168 | 157.8 | 27.5 | -137.5 | -179.5 | -49.6 | 0 | 0 | 115 | ||||
| 50 | D | 27.8 | Very low | 32.1 | Very low | 118 Ų | 118 | 141.4 Ų | 141.4 | 63% | 0.631 | 77% | 0.774 | S | S | * | * | trans | 52.9 | 136.2 | 139.5 | -88.9 | -45.2 | 0 | 0 | 0 | 128.4 | ||||
| 51 | Y | 29.5 | Very low | 32.3 | Very low | 210 Ų | 210 | 138.7 Ų | 138.7 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | 86.4 | 148 | 137.8 | -104.5 | -82.8 | 0 | 0 | 0 | 127.1 | ||||
| 52 | V | 27.9 | Very low | 32.4 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | trans | 91.3 | 136.8 | 162.3 | -157.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 53 | Q | 33.7 | Very low | 33 | Very low | 143 Ų | 143 | 140.6 Ų | 140.6 | 67% | 0.668 | 78% | 0.78 | S | S | * | * | trans | -115 | 168.3 | -175.3 | -157.5 | -169.5 | 26 | 0 | 0 | 110.8 | ||||
| 54 | P | 42 | Very low | 32.5 | Very low | 117 Ų | 117 | 140 Ų | 140 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | -150.5 | 164.7 | 107.1 | 35.8 | -16.9 | 0 | 0 | 0 | 118.3 | |||||
| 55 | H | 29.1 | Very low | 32.2 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 69% | 0.694 | 78% | 0.78 | S | S | * | * | trans | -57.3 | 155.1 | -170.7 | -37.5 | -78.4 | 0 | 0 | 0 | 121.1 | ||||
| 56 | K | 29.6 | Very low | 31.9 | Very low | 191 Ų | 191 | 149.8 Ų | 149.8 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | 178.8 | 116.1 | 117.7 | -94.6 | -176.6 | -179.4 | -180 | 0 | 110.9 | |||||
| 57 | I | 32 | Very low | 31.8 | Very low | 146 Ų | 146 | 150.3 Ų | 150.3 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | 110.1 | 108.5 | 80.3 | -83.4 | 178.8 | 0 | 0 | 0 | 112.9 | |||||
| 58 | N | 28.7 | Very low | 31.7 | Very low | 143 Ų | 143 | 153.7 Ų | 153.7 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | trans | 26.9 | 160.9 | 140.4 | -75.4 | 15.7 | 0 | 0 | 0 | 123.9 | ||||
| 59 | P | 41.3 | Very low | 31.8 | Very low | 119 Ų | 119 | 155.3 Ų | 155.3 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | cis | -136.2 | -177.5 | 20.2 | 42.5 | -24.5 | 0 | 0 | 0 | 118.3 | ||||
| 60 | L | 35.9 | Very low | 32.5 | Very low | 155 Ų | 155 | 152.6 Ų | 152.6 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 158.9 | 170.4 | -74.3 | 82.7 | 0 | 0 | 0 | 112.9 | ||
| 61 | P | 36.8 | Very low | 32.4 | Very low | 117 Ų | 117 | 153.6 Ų | 153.6 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 164.8 | 151.8 | 36.8 | -30.1 | 0 | 0 | 0 | 112.9 | ||
| 62 | P | 36 | Very low | 32.4 | Very low | 127 Ų | 127 | 154.4 Ų | 154.4 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 167.4 | -160 | 39.6 | -37.1 | 0 | 0 | 0 | 117 | ||
| 63 | Q | 38.2 | Very low | 32.2 | Very low | 190 Ų | 190 | 155.1 Ų | 155.1 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 152.2 | 156.3 | -80.9 | -170.7 | -30.2 | 0 | 0 | 111.3 | ||
| 64 | Q | 28.3 | Very low | 31.8 | Very low | 183 Ų | 183 | 154.4 Ų | 154.4 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | -156.9 | 133.5 | 149.4 | -161.9 | 125.4 | 25.6 | 0 | 0 | 112 | ||||
| 65 | E | 30.9 | Very low | 31.1 | Very low | 182 Ų | 182 | 155.9 Ų | 155.9 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | -91.9 | 145.2 | 164.3 | -58.4 | 173.5 | 106.3 | 0 | 0 | 110 | ||||
| 66 | W | 24.2 | Very low | 31.2 | Very low | 229 Ų | 229 | 155.5 Ų | 155.5 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | 177.5 | 179.9 | 117.4 | 70 | -63.3 | 0 | 0 | 0 | 113.3 | |||||
| 67 | I | 30.3 | Very low | 31.2 | Very low | 138 Ų | 138 | 157.7 Ų | 157.7 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | trans | -94.6 | 148.8 | -160.4 | -82 | 165.3 | 0 | 0 | 0 | 113.6 | ||||
| 68 | N | 24 | Very low | 30.9 | Very low | 142 Ų | 142 | 156.1 Ų | 156.1 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | -166.6 | 145.6 | 127.7 | -103.3 | -58.8 | 0 | 0 | 0 | 116 | |||||
| 69 | Q | 32.1 | Very low | 30.7 | Very low | 165 Ų | 165 | 158.3 Ų | 158.3 | 77% | 0.771 | 79% | 0.786 | S | S | * | * | trans | -104.7 | -165.3 | 167.3 | -88.6 | -109.5 | 10.2 | 0 | 0 | 107.4 | ||||
| 70 | P | 44.7 | Very low | 30.1 | Very low | 104 Ų | 104 | 158.4 Ų | 158.4 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | cis | -141.9 | 177.7 | 4.2 | 44.2 | -26.6 | 0 | 0 | 0 | 117.4 | ||||
| 71 | V | 26 | Very low | 29.8 | Very low | 138 Ų | 138 | 158.7 Ų | 158.7 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | trans | -134.7 | 149.8 | 141 | -179.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 72 | R | 29.2 | Very low | 29.5 | Very low | 227 Ų | 227 | 160 Ų | 160 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | trans | -76.8 | 166 | -169.5 | -46.2 | 179.6 | 178.8 | -161 | -2.8 | 112.3 | ||||
| 73 | V | 24 | Very low | 29.1 | Very low | 151 Ų | 151 | 161.7 Ų | 161.7 | 92% | 0.915 | 78% | 0.779 | S | S | * | * | -137.5 | 158.9 | 72.5 | -151.5 | 0 | 0 | 0 | 0 | 113 | |||||
| 74 | N | 25.7 | Very low | 28.6 | Very low | 128 Ų | 128 | 155.4 Ų | 155.4 | 68% | 0.684 | 77% | 0.765 | S | S | * | * | trans | -146.8 | 140.2 | -179.6 | 152.2 | 59 | 0 | 0 | 0 | 110.9 | ||||
| 75 | V | 27 | Very low | 28.6 | Very low | 149 Ų | 149 | 152.4 Ų | 152.4 | 90% | 0.903 | 76% | 0.764 | S | S | * | * | trans | -139.5 | 138.9 | 151.2 | -178.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 76 | K | 29.9 | Very low | 28.7 | Very low | 141 Ų | 141 | 149 Ų | 149 | 61% | 0.613 | 76% | 0.761 | S | S | * | * | trans | -127 | 149.4 | -173.7 | 140.9 | -179.5 | 175.8 | 161.2 | 0 | 111.2 | E78 | K76-E78 WeakPolarHBondContact CE-OE2 3.39Å; K76-E78 IonicContact NZ-OE2 3.4Å; K76-E78 PolarHBondContact NZ-OE2 3.29Å | ||
| 77 | R | 31 | Very low | 29.2 | Very low | 237 Ų | 237 | 148.1 Ų | 148.1 | 89% | 0.894 | 76% | 0.757 | S | S | * | * | trans | -155 | 157.8 | 146 | -157.5 | 157.7 | -68.5 | -163.4 | 0.3 | 111.7 | ||||
| 78 | E | 24 | Very low | 29.3 | Very low | 114 Ų | 114 | 148.1 Ų | 148.1 | 53% | 0.533 | 75% | 0.754 | S | S | . | * | trans | -131.6 | 175 | -175.6 | -65.3 | 168.5 | 90.1 | 0 | 0 | 110.7 | K76 | K76-E78 WeakPolarHBondContact CE-OE2 3.39Å; K76-E78 IonicContact NZ-OE2 3.4Å; K76-E78 PolarHBondContact NZ-OE2 3.29Å | ||
| 79 | Y | 25.2 | Very low | 30 | Very low | 188 Ų | 188 | 146.6 Ų | 146.6 | 74% | 0.737 | 75% | 0.754 | S | S | * | * | trans | 69.4 | 146.2 | 170 | -71.6 | -86.1 | 0 | 0 | 0 | 116.1 | ||||
| 80 | D | 28.1 | Very low | 30.8 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 65% | 0.652 | 75% | 0.754 | S | S | * | * | cis | -140.4 | 162.2 | 15.7 | -102.4 | -64.3 | 0 | 0 | 0 | 113.1 | ||||
| 81 | H | 30.2 | Very low | 30.7 | Very low | 160 Ų | 160 | 145.5 Ų | 145.5 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | trans | 15.3 | 150.4 | 154.8 | -59.7 | 88.9 | 0 | 0 | 0 | 122.2 | ||||
| 82 | I | 30.2 | Very low | 31 | Very low | 146 Ų | 146 | 146.1 Ų | 146.1 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | cis | -163.7 | 160.1 | 30.6 | -160.5 | 71.3 | 0 | 0 | 0 | 111.5 | ||||
| 83 | N | 27.3 | Very low | 31 | Very low | 161 Ų | 161 | 140.2 Ų | 140.2 | 86% | 0.861 | 75% | 0.75 | S | S | * | * | trans | 43.3 | 140 | 157 | -127.7 | 14.7 | 0 | 0 | 0 | 121.7 | ||||
| 84 | G | 27.8 | Very low | 31.5 | Very low | 58 Ų | 58 | 138.3 Ų | 138.3 | 60% | 0.598 | 74% | 0.744 | S | S | * | * | cis | 164.1 | 160 | -3.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 85 | S | 29.8 | Very low | 31.8 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 84% | 0.839 | 75% | 0.753 | S | S | * | * | trans | 69.1 | 146.5 | -179.7 | -140.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 86 | S | 32.6 | Very low | 31.8 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | cis | -129.7 | 144.2 | 7.7 | -64.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 87 | R | 34.1 | Very low | 31.8 | Very low | 209 Ų | 209 | 132.9 Ų | 132.9 | 79% | 0.789 | 76% | 0.759 | S | S | * | * | trans | -100.7 | 168 | 163.2 | -82.3 | 168.9 | 157.7 | -118.4 | 1.2 | 108.2 | ||||
| 88 | E | 33.3 | Very low | 31.9 | Very low | 139 Ų | 139 | 131.9 Ų | 131.9 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | cis | -157.4 | 169.7 | -7.3 | -120.6 | 154.9 | 159.5 | 0 | 0 | 108.7 | ||||
| 89 | S | 37.1 | Very low | 32.2 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | -113.7 | 134.5 | 162.8 | 178.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 90 | P | 50.1 | Low | 32.5 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | trans | -113.5 | 130.1 | 169.3 | 17.2 | 3 | 0 | 0 | 0 | 112.9 | ||||
| 91 | V | 42.3 | Very low | 32.8 | Very low | 128 Ų | 128 | 132.2 Ų | 132.2 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -96.3 | 151.6 | 148.6 | -65.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 92 | D | 31.3 | Very low | 32.9 | Very low | 151 Ų | 151 | 132 Ų | 132 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | -170.3 | -179.9 | 118.5 | -130.8 | -48 | 0 | 0 | 0 | 113.2 | |||||
| 93 | C | 30.7 | Very low | 33 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 70% | 0.703 | 78% | 0.783 | S | S | * | * | trans | -107.6 | 162.4 | -163.6 | -46.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 94 | S | 33.1 | Very low | 33.1 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | 159.6 | 136.6 | 120.6 | -77.2 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 95 | V | 32.1 | Very low | 33.1 | Very low | 145 Ų | 145 | 127.9 Ų | 127.9 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | 68.7 | 119.8 | 137.7 | 176.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 96 | G | 28.2 | Very low | 33.2 | Very low | 80 Ų | 80 | 129.3 Ų | 129.3 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | 111.5 | 117.8 | 125.2 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 97 | G | 30.5 | Very low | 33.1 | Very low | 79 Ų | 79 | 130.3 Ų | 130.3 | 81% | 0.814 | 78% | 0.781 | S | S | * | * | trans | -156 | -12.9 | -175 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 98 | K | 31.6 | Very low | 33.3 | Very low | 215 Ų | 215 | 126.2 Ų | 126.2 | 94% | 0.935 | 78% | 0.78 | S | S | * | * | trans | 60.2 | -175.6 | 175.5 | -73.4 | -179.7 | 174.3 | 176 | 0 | 117.1 | ||||
| 99 | C | 31.1 | Very low | 33.3 | Very low | 107 Ų | 107 | 125.2 Ų | 125.2 | 72% | 0.723 | 79% | 0.788 | S | S | * | * | trans | -151 | 175.9 | -158.5 | 59.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 100 | N | 30.4 | Very low | 33.4 | Very low | 143 Ų | 143 | 129.2 Ų | 129.2 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | trans | 80.7 | 103.7 | 160.5 | -69.1 | -2.4 | 0 | 0 | 0 | 122.1 | ||||
| 101 | K | 35.7 | Very low | 32.9 | Very low | 182 Ų | 182 | 132.1 Ų | 132.1 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | 52 | 126.7 | 110.8 | -171.6 | -176.5 | -176 | -178.3 | 0 | 121.1 | |||||
| 102 | L | 32.4 | Very low | 32.6 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 82% | 0.817 | 81% | 0.806 | S | S | * | * | trans | 177.4 | 122.7 | 133.4 | -90.1 | 172.8 | 0 | 0 | 0 | 106.7 | ||||
| 103 | V | 32.1 | Very low | 32.6 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | 99.8 | 128.4 | 64.8 | 159.2 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 104 | G | 28.5 | Very low | 32.7 | Very low | 79 Ų | 79 | 133.5 Ų | 133.5 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | 117.5 | 137.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 105 | G | 29.1 | Very low | 32.5 | Very low | 70 Ų | 70 | 133 Ų | 133 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | cis | 162.6 | 115.9 | -8.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 106 | N | 31.5 | Very low | 32.6 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | 60.1 | 160.4 | -169.8 | -80.4 | 39.8 | 0 | 0 | 0 | 114.7 | ||||
| 107 | D | 31.1 | Very low | 33.5 | Very low | 134 Ų | 134 | 140.5 Ų | 140.5 | 72% | 0.717 | 80% | 0.8 | S | S | * | * | cis | -139 | -179.8 | 0.8 | -138.1 | -49 | 0 | 0 | 0 | 113.1 | ||||
| 108 | T | 38.1 | Very low | 33.8 | Very low | 123 Ų | 123 | 143.7 Ų | 143.7 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | -84 | 125.5 | -168.5 | -42.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 109 | S | 33.5 | Very low | 34 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -165.6 | 130.3 | 154.2 | -84.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 110 | Q | 39.1 | Very low | 34.1 | Very low | 192 Ų | 192 | 145.1 Ų | 145.1 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | trans | -84.6 | 130.5 | 165 | -68.1 | -177.3 | -75.8 | 0 | 0 | 109.8 | ||||
| 111 | M | 37.8 | Very low | 34.4 | Very low | 180 Ų | 180 | 145.7 Ų | 145.7 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | -147.5 | 129.7 | 149.9 | -120.4 | 103.1 | 75.9 | 0 | 0 | 109.4 | ||||
| 112 | S | 36.4 | Very low | 34.6 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | trans | -82.2 | 117.2 | 178.5 | -170.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 113 | Y | 32 | Very low | 34.8 | Very low | 222 Ų | 222 | 139.2 Ų | 139.2 | 87% | 0.871 | 79% | 0.791 | S | S | * | * | trans | -103.5 | 116.4 | 175.8 | -145.8 | -89.2 | 0 | 0 | 0 | 109.7 | S115 | Y113-S115 PolarHBondContact O-N 3.33Š| ||
| 114 | G | 33.6 | Very low | 35.2 | Very low | 61 Ų | 61 | 138.6 Ų | 138.6 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | trans | -68.6 | 115.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111 | Y116 | G114-Y116 PolarHBondContact O-N 3.31Š| ||
| 115 | S | 27.5 | Very low | 35.6 | Very low | 101 Ų | 101 | 140 Ų | 140 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -73.4 | 94.3 | 174.4 | -171.5 | 0 | 0 | 0 | 0 | 110 | Y113 M117 | Y113-S115 PolarHBondContact O-N 3.33Å; S115-M117 PolarHBondContact O-N 3.43Å | ||
| 116 | Y | 34.7 | Very low | 36.1 | Very low | 225 Ų | 225 | 144.1 Ų | 144.1 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | trans | -58.1 | 123.9 | 162.2 | -110.2 | -96.5 | 0 | 0 | 0 | 108.9 | G114 | G114-Y116 PolarHBondContact O-N 3.31Š| ||
| 117 | M | 46.7 | Very low | 36 | Very low | 156 Ų | 156 | 143.9 Ų | 143.9 | 77% | 0.768 | 79% | 0.786 | S | S | * | * | trans | -86.8 | 117.8 | 164.3 | -68.5 | -63.8 | -178.1 | 0 | 0 | 107.7 | S115 E119 | S115-M117 PolarHBondContact O-N 3.43Å; M117-E119 PolarHBondContact O-N 3.35Å; M117-E119 VanDerWaalsContact O-N 3.11Å | ||
| 118 | D | 36 | Very low | 36.4 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | trans | -74.3 | 94 | 169.2 | -172.1 | -111.4 | 0 | 0 | 0 | 107.9 | K120 | D118-K120 PolarHBondContact O-N 3.5Š| ||
| 119 | E | 36 | Very low | 36.5 | Very low | 174 Ų | 174 | 140.9 Ų | 140.9 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | -75.6 | 77.1 | 179 | -163.5 | 170.3 | 134 | 0 | 0 | 109.9 | M117 N121 | M117-E119 PolarHBondContact O-N 3.35Å; M117-E119 VanDerWaalsContact O-N 3.11Å; E119-N121 PolarHBondContact O-N 2.86Å; E119-N121 PolarHBondContact O-OD1 3.13Å | ||
| 120 | K | 34.2 | Very low | 36.4 | Very low | 179 Ų | 179 | 143.2 Ų | 143.2 | 78% | 0.778 | 78% | 0.776 | S | S | * | * | trans | -62.1 | 98.3 | 178.4 | -179.5 | 179.4 | 179.4 | 176.4 | 0 | 110.3 | D118 A122 | D118-K120 PolarHBondContact O-N 3.5Å; K120-A122 PolarHBondContact O-N 2.97Å | ||
| 121 | N | 36.2 | Very low | 36.4 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | trans | -42.5 | 97.3 | 178.3 | -74.9 | 1 | 0 | 0 | 0 | 113.3 | E119 | E119-N121 PolarHBondContact O-N 2.86Å; E119-N121 PolarHBondContact O-OD1 3.13Å | ||
| 122 | A | 39.6 | Very low | 36.6 | Very low | 82 Ų | 82 | 142.2 Ų | 142.2 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 137.1 | 157.1 | 0 | 0 | 0 | 0 | 0 | 108 | K120 | K120-A122 PolarHBondContact O-N 2.97Š|
| 123 | P | 37.6 | Very low | 37.1 | Very low | 121 Ų | 121 | 144.8 Ų | 144.8 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 134.8 | 170.8 | 27 | -33.2 | 0 | 0 | 0 | 108.9 | ||
| 124 | P | 39.7 | Very low | 37.7 | Very low | 114 Ų | 114 | 137 Ų | 137 | 74% | 0.74 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 144.9 | -178.5 | 25.6 | -34.1 | 0 | 0 | 0 | 110.6 | N126 | P124-N126 PolarHBondContact O-N 2.93Š|
| 125 | P | 37.5 | Very low | 38.8 | Very low | 110 Ų | 110 | 141 Ų | 141 | 71% | 0.714 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 134.8 | 173.4 | 26.6 | -34 | 0 | 0 | 0 | 109.4 | M127 | P125-M127 VanDerWaalsContact C-N 3.32Å; P125-M127 PolarHBondContact O-N 2.63Å |
| 126 | N | 40.3 | Very low | 40.5 | Very low | 155 Ų | 155 | 138 Ų | 138 | 83% | 0.829 | 71% | 0.708 | S | S | * | * | trans | -75.4 | 78.8 | -166.4 | -159.8 | 6.9 | 0 | 0 | 0 | 111.8 | P124 T128 | P124-N126 PolarHBondContact O-N 2.93Å; N126-T128 PolarHBondContact O-N 2.71Å | ||
| 127 | M | 27.5 | Very low | 42.2 | Very low | 145 Ų | 145 | 129.2 Ų | 129.2 | 71% | 0.714 | 68% | 0.678 | S | S | * | * | trans | -82.2 | 94 | 179.3 | -78.3 | -169.6 | 63.1 | 0 | 0 | 111.6 | P125 T129 | P125-M127 VanDerWaalsContact C-N 3.32Å; P125-M127 PolarHBondContact O-N 2.63Å; M127-T129 HydrophobicContact CB-CG2 4.46Å; M127-T129 HydrophobicContact CE-CG2 3.78Å; M127-T129 PolarHBondContact O-N 3.46Å; M127-T129 VanDerWaalsContact O-N 3.09Å | ||
| 128 | T | 39.9 | Very low | 43.2 | Very low | 91 Ų | 91 | 125.6 Ų | 125.6 | 56% | 0.558 | 67% | 0.673 | S | S | * | * | trans | -74 | 94.5 | 165.6 | 58.3 | 0 | 0 | 0 | 0 | 109.7 | N126 E131 | N126-T128 PolarHBondContact O-N 2.71Å; T128-E131 VanDerWaalsContact CB-OE1 3.23Å; T128-E131 WeakPolarHBondContact CB-OE1 3.36Å; T128-E131 PolarHBondContact OG1-OE1 2.83Å | ||
| 129 | T | 40 | Very low | 45.4 | Very low | 104 Ų | 104 | 120.8 Ų | 120.8 | 64% | 0.638 | 65% | 0.648 | S | S | * | * | trans | -127.8 | 22.4 | 174.9 | 66.6 | 0 | 0 | 0 | 0 | 113.7 | M127 E131 | M127-T129 HydrophobicContact CB-CG2 4.46Å; M127-T129 HydrophobicContact CE-CG2 3.78Å; M127-T129 PolarHBondContact O-N 3.46Å; M127-T129 VanDerWaalsContact O-N 3.09Å; T129-E131 PolarHBondContact O-N 3.32Å | ||
| 130 | N | 31.9 | Very low | 47.9 | Very low | 167 Ų | 167 | 112.5 Ų | 112.5 | 89% | 0.893 | 61% | 0.609 | S | S | * | * | trans | -89 | 26.4 | 163.5 | -82 | -26.2 | 0 | 0 | 0 | 111.7 | R132 | N130-R132 PolarHBondContact O-N 3.21Å; N130-R132 VanDerWaalsContact O-N 3.09Å | ||
| 131 | E | 39.2 | Very low | 50.5 | Low | 142 Ų | 142 | 106 Ų | 106 | 66% | 0.664 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -84.7 | 92.1 | -172.9 | -62.1 | -168.7 | -151 | 0 | 0 | 110.7 | T128 T129 | T128-E131 VanDerWaalsContact CB-OE1 3.23Å; T128-E131 WeakPolarHBondContact CB-OE1 3.36Å; T128-E131 PolarHBondContact OG1-OE1 2.83Å; T129-E131 PolarHBondContact O-N 3.32Å |
| 132 | R | 43.2 | Very low | 52.9 | Low | 209 Ų | 209 | 104.1 Ų | 104.1 | 79% | 0.789 | 58% | 0.575 | S | S | * | * | S | Bend | trans | 66.2 | 59.4 | 164.9 | -158.6 | -177.5 | -70.2 | -94.6 | 2 | 116.1 | N130 | N130-R132 PolarHBondContact O-N 3.21Å; N130-R132 VanDerWaalsContact O-N 3.09Å |
| 133 | R | 45.3 | Very low | 55.4 | Low | 183 Ų | 183 | 100.5 Ų | 100.5 | 69% | 0.691 | 54% | 0.544 | S | S | * | . | trans | -109 | 119 | 146.7 | -76.3 | -173 | 177 | 171.7 | 1.5 | 109.5 | I135 | R133-I135 PolarHBondContact O-N 3.25Š| ||
| 134 | V | 44.8 | Very low | 57.8 | Low | 59 Ų | 59 | 96.8 Ų | 96.8 | 36% | 0.358 | 52% | 0.521 | S | S | . | . | trans | -71.5 | 114.3 | 173.8 | 168.2 | 0 | 0 | 0 | 0 | 108.3 | V136 Q150 | V134-V136 HydrophobicContact CG1-CG1 3.74Å; V134-Q150 HydrophobicContact CB-CB 4.44Å; V134-Q150 HydrophobicContact CG1-CB 3.65Å; V134-Q150 HydrophobicContact CG2-CB 3.91Å; V134-Q150 HydrophobicContact CG2-CG 4.36Å | ||
| 135 | I | 56.7 | Low | 60.3 | Low | 144 Ų | 144 | 95.8 Ų | 95.8 | 74% | 0.738 | 51% | 0.506 | S | S | * | . | trans | -103.3 | 82.6 | 174 | -53.2 | 177.8 | 0 | 0 | 0 | 107.5 | R133 | R133-I135 PolarHBondContact O-N 3.25Š| ||
| 136 | V | 64.5 | Low | 62.6 | Low | 39 Ų | 39 | 95.6 Ų | 95.6 | 24% | 0.236 | 50% | 0.499 | C | S | . | . | trans | -79 | 148.5 | 166.3 | -70.9 | 0 | 0 | 0 | 0 | 110.3 | V134 W143 H147 | V134-V136 HydrophobicContact CG1-CG1 3.74Å; V136-W143 HydrophobicContact CB-CZ2 4.05Å; V136-W143 HydrophobicContact CG2-CZ2 3.71Å; V136-H147 HydrophobicContact CG1-CB 3.8Å; V136-H147 WeakPolarHBondContact CG1-O 3.25Å | ||
| 137 | P | 69.1 | Low | 65 | Low | 39 Ų | 39 | 90.6 Ų | 90.6 | 25% | 0.253 | 47% | 0.471 | S | S | . | . | trans | -53 | 145.4 | 170.6 | -26.9 | 33.4 | 0 | 0 | 0 | 112.5 | D139 L142 W143 H147 | P137-D139 PolarHBondContact O-N 3.03Å; P137-L142 HydrophobicContact CB-CB 4.04Å; P137-L142 HydrophobicContact CG-CB 4.43Å; P137-W143 PolarHBondContact O-NE1 3.44Å; P137-H147 WeakPolarHBondContact CD-ND1 3.41Å | ||
| 138 | A | 68.7 | Low | 68 | Low | 80 Ų | 80 | 83.7 Ų | 83.7 | 66% | 0.661 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -66.1 | -23.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 139 | D | 82.1 | Confident | 70.3 | Confident | 46 Ų | 46 | 85.2 Ų | 85.2 | 25% | 0.246 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -99.4 | 119.6 | 168.8 | 174.1 | 24.1 | 0 | 0 | 0 | 110.4 | P137 S141 L142 | P137-D139 PolarHBondContact O-N 3.03Å; D139-S141 PolarHBondContact O-N 2.98Å; D139-S141 PolarHBondContact OD1-N 2.93Å; D139-S141 WeakPolarHBondContact OD2-CB 3.47Å; D139-S141 PolarHBondContact OD2-OG 3.5Å; D139-L142 HydrophobicContact CB-CD1 4.22Å; D139-L142 HydrophobicContact CB-CG 4.21Å; D139-L142 PolarHBondContact O-N 3.29Å; D139-L142 VanDerWaalsContact O-N 3.1Å |
| 140 | P | 87.5 | Confident | 72.6 | Confident | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -56 | -24.9 | 173.1 | -27.2 | 36.9 | 0 | 0 | 0 | 115.2 | L142 W143 G174 L201 L204 R205 | P140-L142 PolarHBondContact O-N 3.44Å; P140-L142 VanDerWaalsContact O-N 3.16Å; P140-W143 HydrophobicContact CB-CD2 4.2Å; P140-W143 HydrophobicContact CB-CE3 4.39Å; P140-W143 HydrophobicContact CB-CH2 4.43Å; P140-W143 HydrophobicContact CB-CZ2 4.23Å; P140-W143 HydrophobicContact CB-CZ3 4.49Å; P140-W143 HydrophobicContact CG-CH2 4.38Å; P140-W143 HydrophobicContact CG-CZ2 4.05Å; P140-W143 PolarHBondContact O-N 2.85Å; P140-G174 CarbonylContact O-C 3.46Å; P140-G174 WeakPolarHBondContact O-CA 3.43Å; P140-L201 HydrophobicContact CB-CD1 3.6Å; P140-L201 HydrophobicContact CG-CD1 3.96Å; P140-L204 HydrophobicContact CG-CB 3.59Å; P140-L204 HydrophobicContact CG-CD1 3.97Å; P140-L204 HydrophobicContact CG-CG 4.48Å; P140-R205 HydrophobicContact CG-CG 4.2Å |
| 141 | S | 88.9 | Confident | 75.4 | Confident | 42 Ų | 42 | 75.8 Ų | 75.8 | 29% | 0.294 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -67 | -14.2 | 177.3 | 97.8 | 0 | 0 | 0 | 0 | 113.9 | D139 K175 | D139-S141 PolarHBondContact O-N 2.98Å; D139-S141 PolarHBondContact OD1-N 2.93Å; D139-S141 WeakPolarHBondContact OD2-CB 3.47Å; D139-S141 PolarHBondContact OD2-OG 3.5Å; S141-K175 WeakPolarHBondContact O-CE 3.49Å; S141-K175 VanDerWaalsContact O-CG 3.23Å; S141-K175 WeakPolarHBondContact O-CG 3.46Å |
| 142 | L | 87.1 | Confident | 77.8 | Confident | 114 Ų | 114 | 69 Ų | 69 | 60% | 0.597 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -99.7 | 5.5 | 179.2 | -55.9 | -179.3 | 0 | 0 | 0 | 113.5 | P137 D139 P140 | P137-L142 HydrophobicContact CB-CB 4.04Å; P137-L142 HydrophobicContact CG-CB 4.43Å; D139-L142 HydrophobicContact CB-CD1 4.22Å; D139-L142 HydrophobicContact CB-CG 4.21Å; D139-L142 PolarHBondContact O-N 3.29Å; D139-L142 VanDerWaalsContact O-N 3.1Å; P140-L142 PolarHBondContact O-N 3.44Å; P140-L142 VanDerWaalsContact O-N 3.16Å |
| 143 | W | 91.1 | Very high | 80 | Confident | 7 Ų | 7 | 62.6 Ų | 62.6 | 3% | 0.027 | 32% | 0.323 | C | S | . | . | trans | -74.5 | 138.2 | -179.2 | -66.7 | 3.3 | 0 | 0 | 0 | 112.2 | V136 P137 P140 H147 V148 W151 G174 L177 L201 L204 | V136-W143 HydrophobicContact CB-CZ2 4.05Å; V136-W143 HydrophobicContact CG2-CZ2 3.71Å; P137-W143 PolarHBondContact O-NE1 3.44Å; P140-W143 HydrophobicContact CB-CD2 4.2Å; P140-W143 HydrophobicContact CB-CE3 4.39Å; P140-W143 HydrophobicContact CB-CH2 4.43Å; P140-W143 HydrophobicContact CB-CZ2 4.23Å; P140-W143 HydrophobicContact CB-CZ3 4.49Å; P140-W143 HydrophobicContact CG-CH2 4.38Å; P140-W143 HydrophobicContact CG-CZ2 4.05Å; P140-W143 PolarHBondContact O-N 2.85Å; W143-H147 HydrophobicContact CB-CB 3.66Å; W143-H147 HydrophobicContact CG-CB 3.88Å; W143-V148 HydrophobicContact CB-CG2 4.1Å; W143-V148 HydrophobicContact CE3-CG2 4.14Å; W143-W151 HydrophobicContact CE3-CB 4.44Å; W143-W151 HydrophobicContact CH2-CB 3.88Å; W143-W151 AromaticContact CH2-CD1 3.67Å; W143-W151 AromaticContact CH2-CD2 3.8Å; W143-W151 HydrophobicContact CH2-CD2 3.8Å; W143-W151 HydrophobicContact CH2-CE3 4.49Å; W143-W151 AromaticContact CH2-CG 3.48Å; W143-W151 HydrophobicContact CH2-CG 3.48Å; W143-W151 VanDerWaalsContact CH2-CG 3.48Å; W143-W151 HydrophobicContact CZ3-CB 3.75Å; W143-W151 AromaticContact CZ3-CD2 3.51Å; W143-W151 HydrophobicContact CZ3-CD2 3.51Å; W143-W151 AromaticContact CZ3-CE3 3.76Å; W143-W151 HydrophobicContact CZ3-CE3 3.76Å; W143-W151 AromaticContact CZ3-CG 3.5Å; W143-W151 HydrophobicContact CZ3-CG 3.5Å; W143-G174 PolarHBondContact O-N 3.39Å; W143-L177 HydrophobicContact CE3-CD2 3.99Å; W143-L177 HydrophobicContact CZ3-CD2 3.94Å; W143-L201 HydrophobicContact CZ3-CD1 4.48Å; W143-L204 HydrophobicContact CH2-CD1 3.52Å; W143-L204 HydrophobicContact CZ2-CD1 3.59Å | ||
| 144 | S | 89.8 | Confident | 82.1 | Confident | 42 Ų | 42 | 57.7 Ų | 57.7 | 29% | 0.294 | 30% | 0.304 | S | S | . | . | trans | -83.2 | 172.5 | 164.6 | 63.7 | 0 | 0 | 0 | 0 | 110 | D146 H147 V148 | S144-D146 PolarHBondContact O-N 3.32Å; S144-D146 PolarHBondContact OG-N 3.28Å; S144-H147 PolarHBondContact N-ND1 2.86Å; S144-H147 WeakPolarHBondContact O-CB 3.47Å; S144-H147 PolarHBondContact O-N 2.9Å; S144-H147 PolarHBondContact OG-N 3.04Å; S144-H147 PolarHBondContact OG-ND1 3.23Å; S144-V148 WeakPolarHBondContact O-CG2 3.44Å; S144-V148 PolarHBondContact O-N 3.47Å | ||
| 145 | Q | 90.7 | Very high | 84.2 | Confident | 94 Ų | 94 | 54.9 Ų | 54.9 | 44% | 0.439 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -54.4 | -38.9 | 170.9 | -71.5 | 163.7 | -15.8 | 0 | 0 | 111.8 | H147 V148 R149 N171 D173 | Q145-H147 PolarHBondContact O-N 2.86Å; Q145-V148 PolarHBondContact O-N 3.08Å; Q145-R149 WeakPolarHBondContact O-CB 3.45Å; Q145-R149 PolarHBondContact O-N 3.05Å; Q145-N171 VanDerWaalsContact NE2-C 3.34Å; Q145-N171 PolarHBondContact NE2-O 2.87Å; Q145-D173 HydrophobicContact CG-CB 4.44Å |
| 146 | D | 87 | Confident | 85.7 | Confident | 106 Ų | 106 | 50.1 Ų | 50.1 | 57% | 0.567 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -66.5 | -35.3 | 174.6 | -50.2 | -84.9 | 0 | 0 | 0 | 113.4 | S144 Q150 | S144-D146 PolarHBondContact O-N 3.32Å; S144-D146 PolarHBondContact OG-N 3.28Å; D146-Q150 WeakPolarHBondContact O-CB 3.23Å; D146-Q150 VanDerWaalsContact O-CG 3.23Å; D146-Q150 WeakPolarHBondContact O-CG 3.25Å; D146-Q150 PolarHBondContact O-N 3.3Å; D146-Q150 PolarHBondContact O-NE2 3.39Å |
| 147 | H | 89.6 | Confident | 86.8 | Confident | 50 Ų | 50 | 56.6 Ų | 56.6 | 23% | 0.231 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.9 | -43 | 174.8 | -69 | 143.7 | 0 | 0 | 0 | 111 | V136 P137 W143 S144 Q145 Q150 W151 | V136-H147 HydrophobicContact CG1-CB 3.8Å; V136-H147 WeakPolarHBondContact CG1-O 3.25Å; P137-H147 WeakPolarHBondContact CD-ND1 3.41Å; W143-H147 HydrophobicContact CB-CB 3.66Å; W143-H147 HydrophobicContact CG-CB 3.88Å; S144-H147 PolarHBondContact N-ND1 2.86Å; S144-H147 WeakPolarHBondContact O-CB 3.47Å; S144-H147 PolarHBondContact O-N 2.9Å; S144-H147 PolarHBondContact OG-N 3.04Å; S144-H147 PolarHBondContact OG-ND1 3.23Å; Q145-H147 PolarHBondContact O-N 2.86Å; H147-Q150 PolarHBondContact O-N 2.66Å; H147-W151 WeakPolarHBondContact O-CB 3.38Å; H147-W151 PolarHBondContact O-N 2.84Å |
| 148 | V | 91 | Very high | 87.6 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.8 | -48.4 | 172.8 | 174.3 | 0 | 0 | 0 | 0 | 110.4 | W143 S144 Q145 Q150 W151 L152 T172 L177 | W143-V148 HydrophobicContact CB-CG2 4.1Å; W143-V148 HydrophobicContact CE3-CG2 4.14Å; S144-V148 WeakPolarHBondContact O-CG2 3.44Å; S144-V148 PolarHBondContact O-N 3.47Å; Q145-V148 PolarHBondContact O-N 3.08Å; V148-Q150 PolarHBondContact O-N 2.83Å; V148-W151 PolarHBondContact O-N 3.11Å; V148-L152 WeakPolarHBondContact O-CB 3.25Å; V148-L152 PolarHBondContact O-N 2.88Å; V148-T172 WeakPolarHBondContact CG2-O 3.47Å; V148-L177 HydrophobicContact CG1-CD1 4.45Å; V148-L177 HydrophobicContact CG1-CD2 4.26Å; V148-L177 HydrophobicContact CG2-CD2 4.13Å |
| 149 | R | 89.3 | Confident | 88.5 | Confident | 123 Ų | 123 | 60.4 Ų | 60.4 | 46% | 0.464 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58 | -49.5 | 177 | -174.8 | -165.4 | 166.6 | 82.1 | 15 | 112.1 | Q145 W151 L152 E153 | Q145-R149 WeakPolarHBondContact O-CB 3.45Å; Q145-R149 PolarHBondContact O-N 3.05Å; R149-W151 VanDerWaalsContact C-N 3.35Å; R149-W151 PolarHBondContact O-N 2.94Å; R149-L152 VanDerWaalsContact O-CB 3.3Å; R149-L152 WeakPolarHBondContact O-CB 3.38Å; R149-L152 PolarHBondContact O-N 2.91Å; R149-L152 VanDerWaalsContact O-N 3.14Å; R149-E153 IonicContact CZ-OE1 2.63Å; R149-E153 IonicContact NE-OE1 2.71Å; R149-E153 PolarHBondContact NE-OE1 3.3Å; R149-E153 IonicContact NH2-OE1 3.16Å; R149-E153 PolarHBondContact NH2-OE1 3.27Å; R149-E153 PolarHBondContact O-N 3.45Å |
| 150 | Q | 86.9 | Confident | 88.7 | Confident | 67 Ų | 67 | 60.4 Ų | 60.4 | 31% | 0.313 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.3 | -37.4 | -178.5 | -76.5 | 171.3 | 89 | 0 | 0 | 112.5 | V134 D146 H147 V148 L152 W154 | V134-Q150 HydrophobicContact CB-CB 4.44Å; V134-Q150 HydrophobicContact CG1-CB 3.65Å; V134-Q150 HydrophobicContact CG2-CB 3.91Å; V134-Q150 HydrophobicContact CG2-CG 4.36Å; D146-Q150 WeakPolarHBondContact O-CB 3.23Å; D146-Q150 VanDerWaalsContact O-CG 3.23Å; D146-Q150 WeakPolarHBondContact O-CG 3.25Å; D146-Q150 PolarHBondContact O-N 3.3Å; D146-Q150 PolarHBondContact O-NE2 3.39Å; H147-Q150 PolarHBondContact O-N 2.66Å; V148-Q150 PolarHBondContact O-N 2.83Å; Q150-L152 VanDerWaalsContact C-N 3.33Å; Q150-W154 WeakPolarHBondContact O-CB 3.45Å; Q150-W154 PolarHBondContact O-N 2.77Å |
| 151 | W | 90.1 | Very high | 88.7 | Confident | 6 Ų | 6 | 60.7 Ų | 60.7 | 2% | 0.023 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 171 | 169.4 | 68.8 | 0 | 0 | 0 | 111.6 | W143 H147 V148 R149 W154 A155 L177 L197 H200 | W143-W151 HydrophobicContact CE3-CB 4.44Å; W143-W151 HydrophobicContact CH2-CB 3.88Å; W143-W151 AromaticContact CH2-CD1 3.67Å; W143-W151 AromaticContact CH2-CD2 3.8Å; W143-W151 HydrophobicContact CH2-CD2 3.8Å; W143-W151 HydrophobicContact CH2-CE3 4.49Å; W143-W151 AromaticContact CH2-CG 3.48Å; W143-W151 HydrophobicContact CH2-CG 3.48Å; W143-W151 VanDerWaalsContact CH2-CG 3.48Å; W143-W151 HydrophobicContact CZ3-CB 3.75Å; W143-W151 AromaticContact CZ3-CD2 3.51Å; W143-W151 HydrophobicContact CZ3-CD2 3.51Å; W143-W151 AromaticContact CZ3-CE3 3.76Å; W143-W151 HydrophobicContact CZ3-CE3 3.76Å; W143-W151 AromaticContact CZ3-CG 3.5Å; W143-W151 HydrophobicContact CZ3-CG 3.5Å; H147-W151 WeakPolarHBondContact O-CB 3.38Å; H147-W151 PolarHBondContact O-N 2.84Å; V148-W151 PolarHBondContact O-N 3.11Å; R149-W151 VanDerWaalsContact C-N 3.35Å; R149-W151 PolarHBondContact O-N 2.94Å; W151-W154 AromaticContact CD1-CE3 3.74Å; W151-W154 AromaticContact CD1-CZ3 3.96Å; W151-W154 AromaticContact NE1-CZ3 3.84Å; W151-W154 PolarHBondContact O-N 3.09Å; W151-A155 WeakPolarHBondContact O-CB 3.23Å; W151-A155 PolarHBondContact O-N 2.82Å; W151-L177 HydrophobicContact CE3-CD2 4.06Å; W151-L177 HydrophobicContact CH2-CD2 4.42Å; W151-L177 HydrophobicContact CZ3-CD1 4.29Å; W151-L177 HydrophobicContact CZ3-CD2 3.73Å; W151-L197 HydrophobicContact CH2-CB 3.98Å; W151-L197 HydrophobicContact CH2-CD2 3.63Å; W151-L197 HydrophobicContact CH2-CG 4.41Å; W151-L197 HydrophobicContact CZ2-CD2 3.98Å; W151-L197 HydrophobicContact CZ3-CD2 4.1Å; W151-H200 AromaticContact CE2-ND1 3.88Å; W151-H200 HydrophobicContact CZ2-CB 4.49Å; W151-H200 AromaticContact NE1-CE1 3.58Å; W151-H200 AromaticContact NE1-ND1 3.1Å; W151-H200 PolarHBondContact NE1-ND1 3.38Å |
| 152 | L | 90.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.1 | -49.2 | 176.5 | -137.1 | 68.6 | 0 | 0 | 0 | 112.2 | V148 R149 Q150 W154 A155 I156 M164 T166 F169 L197 | V148-L152 WeakPolarHBondContact O-CB 3.25Å; V148-L152 PolarHBondContact O-N 2.88Å; R149-L152 VanDerWaalsContact O-CB 3.3Å; R149-L152 WeakPolarHBondContact O-CB 3.38Å; R149-L152 PolarHBondContact O-N 2.91Å; R149-L152 VanDerWaalsContact O-N 3.14Å; Q150-L152 VanDerWaalsContact C-N 3.33Å; L152-W154 VanDerWaalsContact C-N 3.26Å; L152-W154 PolarHBondContact O-N 3.09Å; L152-A155 PolarHBondContact O-N 3.37Å; L152-I156 WeakPolarHBondContact O-CB 3.14Å; L152-I156 WeakPolarHBondContact O-CD1 3.23Å; L152-I156 VanDerWaalsContact O-CG1 3.24Å; L152-I156 WeakPolarHBondContact O-CG1 3.47Å; L152-I156 PolarHBondContact O-N 2.96Å; L152-M164 HydrophobicContact CD1-CE 3.47Å; L152-M164 VanDerWaalsContact CD1-CE 3.47Å; L152-M164 HydrophobicContact CD2-CE 3.92Å; L152-M164 HydrophobicContact CG-CE 3.6Å; L152-M164 HydrophobicContact CG-SD 4.33Å; L152-T166 HydrophobicContact CD2-CG2 4.15Å; L152-F169 HydrophobicContact CD1-CD1 4.48Å; L152-F169 HydrophobicContact CD1-CG 4.41Å; L152-F169 HydrophobicContact CD2-CB 3.69Å; L152-F169 HydrophobicContact CD2-CD2 3.66Å; L152-F169 HydrophobicContact CD2-CE2 4.45Å; L152-F169 HydrophobicContact CD2-CG 3.71Å; L152-L197 HydrophobicContact CD1-CD2 4.12Å |
| 153 | E | 88.5 | Confident | 87.8 | Confident | 73 Ų | 73 | 68.5 Ų | 68.5 | 34% | 0.341 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58 | -39 | 175.5 | -75.4 | -174 | -162.5 | 0 | 0 | 111.9 | R149 K157 | R149-E153 IonicContact CZ-OE1 2.63Å; R149-E153 IonicContact NE-OE1 2.71Å; R149-E153 PolarHBondContact NE-OE1 3.3Å; R149-E153 IonicContact NH2-OE1 3.16Å; R149-E153 PolarHBondContact NH2-OE1 3.27Å; R149-E153 PolarHBondContact O-N 3.45Å; E153-K157 PolarHBondContact O-N 3.27Å |
| 154 | W | 89.1 | Confident | 87.3 | Confident | 80 Ų | 80 | 69.2 Ų | 69.2 | 30% | 0.303 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.5 | -50.3 | 174.1 | 169.3 | 72.2 | 0 | 0 | 0 | 111.9 | Q150 W151 L152 I156 K157 E158 Y159 H200 | Q150-W154 WeakPolarHBondContact O-CB 3.45Å; Q150-W154 PolarHBondContact O-N 2.77Å; W151-W154 AromaticContact CD1-CE3 3.74Å; W151-W154 AromaticContact CD1-CZ3 3.96Å; W151-W154 AromaticContact NE1-CZ3 3.84Å; W151-W154 PolarHBondContact O-N 3.09Å; L152-W154 VanDerWaalsContact C-N 3.26Å; L152-W154 PolarHBondContact O-N 3.09Å; W154-I156 VanDerWaalsContact C-N 3.33Å; W154-I156 PolarHBondContact O-N 3.17Å; W154-K157 WeakPolarHBondContact O-CB 3.3Å; W154-K157 PolarHBondContact O-N 3.27Å; W154-E158 HydrophobicContact CD2-CB 4.43Å; W154-E158 HydrophobicContact CZ2-CB 3.96Å; W154-E158 HydrophobicContact CZ2-CG 3.67Å; W154-E158 PolarHBondContact NE1-OE2 2.94Å; W154-E158 WeakPolarHBondContact O-CB 3.45Å; W154-E158 PolarHBondContact O-N 3.49Å; W154-Y159 AromaticContact CH2-CE2 3.88Å; W154-Y159 HydrophobicContact CH2-CE2 3.88Å; W154-Y159 HydrophobicContact CZ3-CE2 4.03Å; W154-H200 AromaticContact CH2-CD2 3.94Å; W154-H200 AromaticContact CH2-CE1 3.84Å; W154-H200 AromaticContact CH2-NE2 3.41Å; W154-H200 WeakPolarHBondContact CH2-NE2 3.42Å; W154-H200 AromaticContact CZ3-CE1 3.53Å; W154-H200 AromaticContact CZ3-NE2 3.58Å |
| 155 | A | 89.2 | Confident | 86.8 | Confident | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.008 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.7 | -39.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | W151 L152 K157 E158 Y159 L161 L197 | W151-A155 WeakPolarHBondContact O-CB 3.23Å; W151-A155 PolarHBondContact O-N 2.82Å; L152-A155 PolarHBondContact O-N 3.37Å; A155-K157 VanDerWaalsContact C-N 3.3Å; A155-K157 PolarHBondContact O-N 3.14Å; A155-E158 PolarHBondContact O-N 2.9Å; A155-Y159 HydrophobicContact CB-CD2 4.18Å; A155-Y159 WeakPolarHBondContact O-CB 3.46Å; A155-Y159 WeakPolarHBondContact O-CD2 3.35Å; A155-Y159 PolarHBondContact O-N 3.33Å; A155-L161 HydrophobicContact CB-CD1 4.5Å; A155-L197 HydrophobicContact CB-CD2 4.05Å |
| 156 | I | 89.4 | Confident | 86.4 | Confident | 43 Ų | 43 | 68.3 Ų | 68.3 | 22% | 0.221 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.3 | -44.9 | 172.6 | -70.6 | 164.6 | 0 | 0 | 0 | 110.9 | L152 W154 G160 L161 M164 T166 | L152-I156 WeakPolarHBondContact O-CB 3.14Å; L152-I156 WeakPolarHBondContact O-CD1 3.23Å; L152-I156 VanDerWaalsContact O-CG1 3.24Å; L152-I156 WeakPolarHBondContact O-CG1 3.47Å; L152-I156 PolarHBondContact O-N 2.96Å; W154-I156 VanDerWaalsContact C-N 3.33Å; W154-I156 PolarHBondContact O-N 3.17Å; I156-G160 CarbonylContact O-C 3.54Å; I156-G160 VanDerWaalsContact O-CA 3.27Å; I156-G160 WeakPolarHBondContact O-CA 3.28Å; I156-G160 PolarHBondContact O-N 3.49Å; I156-G160 VanDerWaalsContact O-N 3.09Å; I156-L161 HydrophobicContact CG1-CB 4.34Å; I156-L161 PolarHBondContact O-N 3.4Å; I156-L161 VanDerWaalsContact O-N 3.07Å; I156-M164 HydrophobicContact CD1-CB 3.95Å; I156-M164 HydrophobicContact CD1-CG 3.89Å; I156-M164 HydrophobicContact CD1-SD 3.82Å; I156-M164 HydrophobicContact CG1-CB 3.98Å; I156-M164 HydrophobicContact CG1-CG 4.07Å; I156-M164 HydrophobicContact CG1-SD 3.53Å; I156-M164 VanDerWaalsContact CG1-SD 3.53Å; I156-T166 HydrophobicContact CD1-CG2 3.61Å |
| 157 | K | 86.6 | Confident | 86.2 | Confident | 175 Ų | 175 | 65.7 Ų | 65.7 | 76% | 0.761 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -73.6 | -41.1 | -178.7 | -171.5 | -168.1 | 171.9 | -161.7 | 0 | 113 | E153 W154 A155 | E153-K157 PolarHBondContact O-N 3.27Å; W154-K157 WeakPolarHBondContact O-CB 3.3Å; W154-K157 PolarHBondContact O-N 3.27Å; A155-K157 VanDerWaalsContact C-N 3.3Å; A155-K157 PolarHBondContact O-N 3.14Å |
| 158 | E | 87.1 | Confident | 86 | Confident | 103 Ų | 103 | 68.3 Ų | 68.3 | 48% | 0.481 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -76.8 | -42.9 | -173.5 | -158.8 | 75.4 | -134.2 | 0 | 0 | 111.8 | W154 A155 | W154-E158 HydrophobicContact CD2-CB 4.43Å; W154-E158 HydrophobicContact CZ2-CB 3.96Å; W154-E158 HydrophobicContact CZ2-CG 3.67Å; W154-E158 PolarHBondContact NE1-OE2 2.94Å; W154-E158 WeakPolarHBondContact O-CB 3.45Å; W154-E158 PolarHBondContact O-N 3.49Å; A155-E158 PolarHBondContact O-N 2.9Å |
| 159 | Y | 86.9 | Confident | 85.8 | Confident | 96 Ų | 96 | 68.6 Ų | 68.6 | 38% | 0.376 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -96 | -1.9 | -179.5 | -58.4 | -67.5 | 0 | 0 | 0 | 113.7 | W154 A155 V196 H200 | W154-Y159 AromaticContact CH2-CE2 3.88Å; W154-Y159 HydrophobicContact CH2-CE2 3.88Å; W154-Y159 HydrophobicContact CZ3-CE2 4.03Å; A155-Y159 HydrophobicContact CB-CD2 4.18Å; A155-Y159 WeakPolarHBondContact O-CB 3.46Å; A155-Y159 WeakPolarHBondContact O-CD2 3.35Å; A155-Y159 PolarHBondContact O-N 3.33Å; Y159-V196 HydrophobicContact CD1-CG1 4.05Å; Y159-V196 HydrophobicContact CD2-CG1 3.65Å; Y159-V196 HydrophobicContact CE2-CG1 4.18Å; Y159-V196 HydrophobicContact CG-CG1 3.58Å; Y159-H200 PolarHBondContact OH-CD2 3.43Å |
| 160 | G | 86.3 | Confident | 85.5 | Confident | 47 Ų | 47 | 69.2 Ų | 69.2 | 49% | 0.485 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 35.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | I156 L162 | I156-G160 CarbonylContact O-C 3.54Å; I156-G160 VanDerWaalsContact O-CA 3.27Å; I156-G160 WeakPolarHBondContact O-CA 3.28Å; I156-G160 PolarHBondContact O-N 3.49Å; I156-G160 VanDerWaalsContact O-N 3.09Å; G160-L162 PolarHBondContact O-N 2.81Å |
| 161 | L | 87.4 | Confident | 85.5 | Confident | 6 Ų | 6 | 72 Ų | 72 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | trans | -68.5 | 105.8 | -173.9 | -52.2 | -178.5 | 0 | 0 | 0 | 110.9 | A155 I156 M164 Y192 V196 L197 | A155-L161 HydrophobicContact CB-CD1 4.5Å; I156-L161 HydrophobicContact CG1-CB 4.34Å; I156-L161 PolarHBondContact O-N 3.4Å; I156-L161 VanDerWaalsContact O-N 3.07Å; L161-M164 HydrophobicContact CD1-SD 3.94Å; L161-Y192 HydrophobicContact CD2-CD1 4.47Å; L161-Y192 HydrophobicContact CD2-CE1 4.06Å; L161-V196 HydrophobicContact CD2-CB 4.22Å; L161-V196 HydrophobicContact CD2-CG1 4.16Å; L161-V196 HydrophobicContact CD2-CG2 4.32Å; L161-L197 HydrophobicContact CD1-CD2 4.08Å; L161-L197 HydrophobicContact CD1-CG 4.19Å | ||
| 162 | L | 80.2 | Confident | 85.5 | Confident | 139 Ų | 139 | 72.7 Ų | 72.7 | 73% | 0.728 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | 156.2 | 176 | -60.3 | 178.6 | 0 | 0 | 0 | 111.3 | G160 M164 N193 | G160-L162 PolarHBondContact O-N 2.81Å; L162-M164 PolarHBondContact O-N 2.93Å; L162-M164 VanDerWaalsContact O-N 3.11Å; L162-N193 PolarHBondContact O-ND2 3.24Å |
| 163 | E | 75.8 | Confident | 85.5 | Confident | 180 Ų | 180 | 75 Ų | 75 | 84% | 0.841 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 27.6 | 173.2 | -54.7 | -171.6 | 150.1 | 0 | 0 | 115.2 | ||
| 164 | M | 80.9 | Confident | 85.6 | Confident | 23 Ų | 23 | 71.6 Ų | 71.6 | 11% | 0.113 | 37% | 0.365 | C | S | . | . | trans | -90.3 | 107.4 | -179.7 | -169.7 | 166.8 | -169.9 | 0 | 0 | 112.7 | L152 I156 L161 L162 T166 F169 L197 | L152-M164 HydrophobicContact CD1-CE 3.47Å; L152-M164 VanDerWaalsContact CD1-CE 3.47Å; L152-M164 HydrophobicContact CD2-CE 3.92Å; L152-M164 HydrophobicContact CG-CE 3.6Å; L152-M164 HydrophobicContact CG-SD 4.33Å; I156-M164 HydrophobicContact CD1-CB 3.95Å; I156-M164 HydrophobicContact CD1-CG 3.89Å; I156-M164 HydrophobicContact CD1-SD 3.82Å; I156-M164 HydrophobicContact CG1-CB 3.98Å; I156-M164 HydrophobicContact CG1-CG 4.07Å; I156-M164 HydrophobicContact CG1-SD 3.53Å; I156-M164 VanDerWaalsContact CG1-SD 3.53Å; L161-M164 HydrophobicContact CD1-SD 3.94Å; L162-M164 PolarHBondContact O-N 2.93Å; L162-M164 VanDerWaalsContact O-N 3.11Å; M164-T166 PolarHBondContact O-N 3.21Å; M164-F169 HydrophobicContact CE-CD2 4.24Å; M164-F169 HydrophobicContact CE-CE2 3.68Å; M164-F169 HydrophobicContact CE-CZ 4.07Å; M164-L197 HydrophobicContact CE-CD1 3.35Å; M164-L197 HydrophobicContact CE-CD2 4.18Å; M164-L197 HydrophobicContact CE-CG 4.39Å; M164-L197 HydrophobicContact SD-CD1 4.07Å | ||
| 165 | D | 79.1 | Confident | 85.7 | Confident | 77 Ų | 77 | 73.3 Ų | 73.3 | 41% | 0.412 | 38% | 0.375 | S | S | . | . | trans | -78.7 | 108 | 172.2 | -176.5 | 11.7 | 0 | 0 | 0 | 112 | A167 M168 | D165-A167 PolarHBondContact O-N 3.1Å; D165-A167 VanDerWaalsContact OD1-CB 3.25Å; D165-A167 WeakPolarHBondContact OD1-CB 3.33Å; D165-A167 PolarHBondContact OD1-N 3.18Å; D165-M168 HydrophobicContact CB-CG 4.2Å; D165-M168 PolarHBondContact O-N 3.06Å | ||
| 166 | T | 82.6 | Confident | 85.8 | Confident | 39 Ų | 39 | 77.7 Ų | 77.7 | 24% | 0.239 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -66.5 | -19.4 | 175.9 | 64.2 | 0 | 0 | 0 | 0 | 114.1 | L152 I156 M164 M168 F169 | L152-T166 HydrophobicContact CD2-CG2 4.15Å; I156-T166 HydrophobicContact CD1-CG2 3.61Å; M164-T166 PolarHBondContact O-N 3.21Å; T166-M168 VanDerWaalsContact C-N 3.3Å; T166-M168 PolarHBondContact O-N 3.42Å; T166-F169 PolarHBondContact O-N 3.16Å |
| 167 | A | 83.9 | Confident | 85.9 | Confident | 51 Ų | 51 | 75.7 Ų | 75.7 | 42% | 0.421 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -67.5 | -31.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D165 F169 Q170 | D165-A167 PolarHBondContact O-N 3.1Å; D165-A167 VanDerWaalsContact OD1-CB 3.25Å; D165-A167 WeakPolarHBondContact OD1-CB 3.33Å; D165-A167 PolarHBondContact OD1-N 3.18Å; A167-F169 PolarHBondContact O-N 2.99Å; A167-F169 VanDerWaalsContact O-N 3.08Å; A167-Q170 VanDerWaalsContact O-CB 3.24Å; A167-Q170 WeakPolarHBondContact O-CB 3.33Å; A167-Q170 PolarHBondContact O-N 3.09Å |
| 168 | M | 84.5 | Confident | 86.1 | Confident | 106 Ų | 106 | 68.8 Ų | 68.8 | 52% | 0.522 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -59.3 | -21.2 | 176.2 | -65.8 | -63 | 177 | 0 | 0 | 113.6 | D165 T166 L188 | D165-M168 HydrophobicContact CB-CG 4.2Å; D165-M168 PolarHBondContact O-N 3.06Å; T166-M168 VanDerWaalsContact C-N 3.3Å; T166-M168 PolarHBondContact O-N 3.42Å; M168-L188 HydrophobicContact CB-CB 4.25Å; M168-L188 HydrophobicContact CB-CD2 4.32Å |
| 169 | F | 86.1 | Confident | 86.2 | Confident | 5 Ų | 5 | 70.5 Ų | 70.5 | 2% | 0.022 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -107.3 | 2.3 | -179.9 | -64.8 | -96.4 | 0 | 0 | 0 | 113.2 | L152 M164 T166 A167 N171 T172 L177 M180 F185 L188 | L152-F169 HydrophobicContact CD1-CD1 4.48Å; L152-F169 HydrophobicContact CD1-CG 4.41Å; L152-F169 HydrophobicContact CD2-CB 3.69Å; L152-F169 HydrophobicContact CD2-CD2 3.66Å; L152-F169 HydrophobicContact CD2-CE2 4.45Å; L152-F169 HydrophobicContact CD2-CG 3.71Å; M164-F169 HydrophobicContact CE-CD2 4.24Å; M164-F169 HydrophobicContact CE-CE2 3.68Å; M164-F169 HydrophobicContact CE-CZ 4.07Å; T166-F169 PolarHBondContact O-N 3.16Å; A167-F169 PolarHBondContact O-N 2.99Å; A167-F169 VanDerWaalsContact O-N 3.08Å; F169-N171 PolarHBondContact O-N 3.26Å; F169-N171 VanDerWaalsContact O-N 3.13Å; F169-T172 WeakPolarHBondContact O-CB 3.48Å; F169-T172 PolarHBondContact O-N 3.18Å; F169-L177 HydrophobicContact CD1-CD1 4.32Å; F169-L177 HydrophobicContact CE1-CD1 4.4Å; F169-M180 HydrophobicContact CE1-CE 4.24Å; F169-F185 HydrophobicContact CE1-CD1 4.13Å; F169-F185 AromaticContact CE1-CE1 3.89Å; F169-F185 HydrophobicContact CE1-CE1 3.89Å; F169-F185 HydrophobicContact CZ-CD1 4.23Å; F169-F185 HydrophobicContact CZ-CE1 4.38Å; F169-L188 HydrophobicContact CD1-CD1 4.12Å; F169-L188 HydrophobicContact CE1-CB 4.48Å; F169-L188 HydrophobicContact CE1-CD1 3.79Å; F169-L188 HydrophobicContact CE2-CB 3.86Å; F169-L188 HydrophobicContact CE2-CD1 4.24Å; F169-L188 HydrophobicContact CG-CD1 4.49Å; F169-L188 HydrophobicContact CZ-CB 3.72Å; F169-L188 HydrophobicContact CZ-CD1 3.86Å; F169-L188 HydrophobicContact CZ-CG 4.44Å |
| 170 | Q | 84.2 | Confident | 86.4 | Confident | 137 Ų | 137 | 67.3 Ų | 67.3 | 64% | 0.64 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -37.3 | -172.5 | 177.8 | 178.7 | -15.2 | 0 | 0 | 113.7 | A167 | A167-Q170 VanDerWaalsContact O-CB 3.24Å; A167-Q170 WeakPolarHBondContact O-CB 3.33Å; A167-Q170 PolarHBondContact O-N 3.09Å |
| 171 | N | 86.9 | Confident | 86.6 | Confident | 125 Ų | 125 | 67.3 Ų | 67.3 | 67% | 0.668 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -0.7 | -176.5 | -65.2 | -12.1 | 0 | 0 | 0 | 113.2 | Q145 F169 | Q145-N171 VanDerWaalsContact NE2-C 3.34Å; Q145-N171 PolarHBondContact NE2-O 2.87Å; F169-N171 PolarHBondContact O-N 3.26Å; F169-N171 VanDerWaalsContact O-N 3.13Å |
| 172 | T | 90.2 | Very high | 86.6 | Confident | 21 Ų | 21 | 71 Ų | 71 | 13% | 0.129 | 36% | 0.361 | C | S | . | . | trans | -85.2 | 120.9 | -174.9 | -51.7 | 0 | 0 | 0 | 0 | 110.2 | V148 F169 E176 L177 M180 | V148-T172 WeakPolarHBondContact CG2-O 3.47Å; F169-T172 WeakPolarHBondContact O-CB 3.48Å; F169-T172 PolarHBondContact O-N 3.18Å; T172-E176 HydrophobicContact CG2-CB 4.2Å; T172-L177 HydrophobicContact CG2-CB 3.97Å; T172-L177 HydrophobicContact CG2-CD1 4.19Å; T172-M180 HydrophobicContact CG2-SD 4.24Å | ||
| 173 | D | 90.9 | Very high | 87.2 | Confident | 49 Ų | 49 | 69.7 Ų | 69.7 | 26% | 0.262 | 36% | 0.355 | S | S | . | . | trans | -90.3 | 175.8 | 170 | 85.7 | -5.7 | 0 | 0 | 0 | 111.4 | Q145 K175 E176 L177 | Q145-D173 HydrophobicContact CG-CB 4.44Å; D173-K175 PolarHBondContact O-N 3.15Å; D173-K175 WeakPolarHBondContact OD1-CA 3.33Å; D173-K175 WeakPolarHBondContact OD1-CB 3.24Å; D173-K175 PolarHBondContact OD1-N 3.11Å; D173-E176 PolarHBondContact O-N 3.5Å; D173-E176 PolarHBondContact OD1-N 3.19Å; D173-L177 VanDerWaalsContact O-CB 3.25Å; D173-L177 WeakPolarHBondContact O-CB 3.45Å; D173-L177 PolarHBondContact O-N 3.45Å | ||
| 174 | G | 90.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.4 | -25.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | P140 W143 C178 | P140-G174 CarbonylContact O-C 3.46Å; P140-G174 WeakPolarHBondContact O-CA 3.43Å; W143-G174 PolarHBondContact O-N 3.39Å; G174-C178 VanDerWaalsContact O-CB 3.28Å; G174-C178 WeakPolarHBondContact O-CB 3.47Å; G174-C178 PolarHBondContact O-N 3.04Å; G174-C178 PolarHBondContact O-SG 3.26Å |
| 175 | K | 90.8 | Very high | 88.3 | Confident | 117 Ų | 117 | 62.1 Ų | 62.1 | 51% | 0.509 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -82 | -42.2 | -177.8 | -62.6 | 175.4 | -177.4 | 170.2 | 0 | 110.8 | S141 D173 K179 | S141-K175 WeakPolarHBondContact O-CE 3.49Å; S141-K175 VanDerWaalsContact O-CG 3.23Å; S141-K175 WeakPolarHBondContact O-CG 3.46Å; D173-K175 PolarHBondContact O-N 3.15Å; D173-K175 WeakPolarHBondContact OD1-CA 3.33Å; D173-K175 WeakPolarHBondContact OD1-CB 3.24Å; D173-K175 PolarHBondContact OD1-N 3.11Å; K175-K179 WeakPolarHBondContact O-CD 3.27Å; K175-K179 VanDerWaalsContact O-CG 3.25Å; K175-K179 WeakPolarHBondContact O-CG 3.38Å; K175-K179 PolarHBondContact O-N 2.56Å |
| 176 | E | 90.9 | Very high | 88.9 | Confident | 93 Ų | 93 | 61.4 Ų | 61.4 | 44% | 0.435 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69 | -40.8 | 171.8 | -58.2 | -43.5 | 125 | 0 | 0 | 111.1 | T172 D173 C178 K179 M180 | T172-E176 HydrophobicContact CG2-CB 4.2Å; D173-E176 PolarHBondContact O-N 3.5Å; D173-E176 PolarHBondContact OD1-N 3.19Å; E176-C178 VanDerWaalsContact C-N 3.29Å; E176-C178 PolarHBondContact O-N 3.05Å; E176-K179 VanDerWaalsContact CD-NZ 3.35Å; E176-K179 PolarHBondContact O-N 3.27Å; E176-K179 IonicContact OE1-NZ 2.81Å; E176-K179 PolarHBondContact OE1-NZ 2.99Å; E176-K179 WeakPolarHBondContact OE2-CD 3.4Å; E176-K179 IonicContact OE2-NZ 2.83Å; E176-K179 PolarHBondContact OE2-NZ 2.81Å; E176-M180 WeakPolarHBondContact O-CG 3.36Å; E176-M180 PolarHBondContact O-N 3.19Å |
| 177 | L | 91.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.3 | -41.3 | 173.9 | -168.1 | 74.9 | 0 | 0 | 0 | 112.1 | W143 V148 W151 F169 T172 D173 K179 M180 F185 L201 | W143-L177 HydrophobicContact CE3-CD2 3.99Å; W143-L177 HydrophobicContact CZ3-CD2 3.94Å; V148-L177 HydrophobicContact CG1-CD1 4.45Å; V148-L177 HydrophobicContact CG1-CD2 4.26Å; V148-L177 HydrophobicContact CG2-CD2 4.13Å; W151-L177 HydrophobicContact CE3-CD2 4.06Å; W151-L177 HydrophobicContact CH2-CD2 4.42Å; W151-L177 HydrophobicContact CZ3-CD1 4.29Å; W151-L177 HydrophobicContact CZ3-CD2 3.73Å; F169-L177 HydrophobicContact CD1-CD1 4.32Å; F169-L177 HydrophobicContact CE1-CD1 4.4Å; T172-L177 HydrophobicContact CG2-CB 3.97Å; T172-L177 HydrophobicContact CG2-CD1 4.19Å; D173-L177 VanDerWaalsContact O-CB 3.25Å; D173-L177 WeakPolarHBondContact O-CB 3.45Å; D173-L177 PolarHBondContact O-N 3.45Å; L177-K179 VanDerWaalsContact C-N 3.29Å; L177-K179 PolarHBondContact O-N 3.32Å; L177-M180 HydrophobicContact CD1-SD 4.24Å; L177-F185 HydrophobicContact CD1-CE1 4.03Å; L177-F185 HydrophobicContact CD1-CZ 3.64Å; L177-F185 HydrophobicContact CG-CZ 4.28Å; L177-L201 HydrophobicContact CD2-CD1 3.94Å; L177-L201 HydrophobicContact CD2-CD2 4.4Å; L177-L201 HydrophobicContact CG-CD1 4.41Å; L177-L201 HydrophobicContact CG-CD2 4.02Å; L177-L201 WeakPolarHBondContact O-CD2 3.14Å |
| 178 | C | 90.9 | Very high | 89.4 | Confident | 31 Ų | 31 | 68.2 Ų | 68.2 | 21% | 0.209 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -15.9 | 175.7 | -74.8 | 0 | 0 | 0 | 0 | 114.9 | G174 E176 | G174-C178 VanDerWaalsContact O-CB 3.28Å; G174-C178 WeakPolarHBondContact O-CB 3.47Å; G174-C178 PolarHBondContact O-N 3.04Å; G174-C178 PolarHBondContact O-SG 3.26Å; E176-C178 VanDerWaalsContact C-N 3.29Å; E176-C178 PolarHBondContact O-N 3.05Å |
| 179 | K | 90.2 | Very high | 89.6 | Confident | 138 Ų | 138 | 64 Ų | 64 | 60% | 0.6 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -24.5 | 176.4 | -70.6 | 164.7 | -172.5 | 173.6 | 0 | 113 | K175 E176 L177 S181 | K175-K179 WeakPolarHBondContact O-CD 3.27Å; K175-K179 VanDerWaalsContact O-CG 3.25Å; K175-K179 WeakPolarHBondContact O-CG 3.38Å; K175-K179 PolarHBondContact O-N 2.56Å; E176-K179 VanDerWaalsContact CD-NZ 3.35Å; E176-K179 PolarHBondContact O-N 3.27Å; E176-K179 IonicContact OE1-NZ 2.81Å; E176-K179 PolarHBondContact OE1-NZ 2.99Å; E176-K179 WeakPolarHBondContact OE2-CD 3.4Å; E176-K179 IonicContact OE2-NZ 2.83Å; E176-K179 PolarHBondContact OE2-NZ 2.81Å; L177-K179 VanDerWaalsContact C-N 3.29Å; L177-K179 PolarHBondContact O-N 3.32Å; K179-S181 PolarHBondContact O-N 2.61Å |
| 180 | M | 89.9 | Confident | 89.7 | Confident | 29 Ų | 29 | 66.6 Ų | 66.6 | 14% | 0.143 | 33% | 0.327 | C | S | . | . | trans | -55.4 | 124.5 | -178.2 | -79.4 | 176.5 | 65.7 | 0 | 0 | 111.4 | F169 T172 E176 L177 D184 F185 L188 | F169-M180 HydrophobicContact CE1-CE 4.24Å; T172-M180 HydrophobicContact CG2-SD 4.24Å; E176-M180 WeakPolarHBondContact O-CG 3.36Å; E176-M180 PolarHBondContact O-N 3.19Å; L177-M180 HydrophobicContact CD1-SD 4.24Å; M180-D184 HydrophobicContact CB-CB 3.93Å; M180-D184 HydrophobicContact CE-CB 3.94Å; M180-D184 HydrophobicContact CG-CB 3.97Å; M180-F185 HydrophobicContact CB-CD2 3.86Å; M180-F185 HydrophobicContact CB-CE2 3.55Å; M180-F185 HydrophobicContact CB-CZ 4.4Å; M180-F185 HydrophobicContact CE-CB 4.43Å; M180-F185 HydrophobicContact CE-CD1 4.01Å; M180-F185 HydrophobicContact CE-CD2 3.81Å; M180-F185 HydrophobicContact CE-CE1 4.19Å; M180-F185 HydrophobicContact CE-CE2 4Å; M180-F185 HydrophobicContact CE-CG 3.82Å; M180-F185 HydrophobicContact CE-CZ 4.19Å; M180-F185 HydrophobicContact SD-CE2 4.33Å; M180-F185 HydrophobicContact SD-CZ 4.36Å; M180-L188 HydrophobicContact CE-CD1 3.65Å; M180-L188 HydrophobicContact CE-CG 4.3Å; M180-L188 HydrophobicContact SD-CD1 4.45Å | ||
| 181 | S | 90.4 | Very high | 90 | Very high | 48 Ų | 48 | 65.9 Ų | 65.9 | 34% | 0.336 | 33% | 0.325 | S | S | . | . | trans | -71.5 | 169.3 | 170 | 68.7 | 0 | 0 | 0 | 0 | 111.2 | K179 D183 D184 F185 | K179-S181 PolarHBondContact O-N 2.61Å; S181-D183 PolarHBondContact O-N 3.07Å; S181-D183 PolarHBondContact OG-N 3.4Å; S181-D184 WeakPolarHBondContact CB-OD2 3.31Å; S181-D184 PolarHBondContact N-OD2 3.06Å; S181-D184 WeakPolarHBondContact O-CB 3.29Å; S181-D184 PolarHBondContact O-N 3.45Å; S181-D184 VanDerWaalsContact O-N 3.07Å; S181-D184 PolarHBondContact OG-N 3.02Å; S181-D184 PolarHBondContact OG-OD2 3.35Å; S181-F185 PolarHBondContact O-N 3.39Å | ||
| 182 | K | 89.1 | Confident | 90.1 | Very high | 83 Ų | 83 | 67 Ų | 67 | 36% | 0.361 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -56.2 | -40.5 | 171.8 | -174.5 | 175.2 | -179.5 | 177.3 | 0 | 111.1 | D184 F185 L186 E195 L198 | K182-D184 VanDerWaalsContact C-N 3.29Å; K182-D184 PolarHBondContact O-N 3.31Å; K182-F185 PolarHBondContact O-N 2.86Å; K182-L186 HydrophobicContact CG-CD1 4.18Å; K182-L186 HydrophobicContact CG-CG 4.47Å; K182-L186 VanDerWaalsContact O-CG 3.29Å; K182-L186 WeakPolarHBondContact O-CG 3.29Å; K182-L186 PolarHBondContact O-N 2.82Å; K182-E195 WeakPolarHBondContact CE-OE1 3.46Å; K182-E195 IonicContact NZ-OE1 3.5Å; K182-E195 PolarHBondContact NZ-OE1 3.12Å; K182-L198 HydrophobicContact CB-CD2 3.95Å; K182-L198 HydrophobicContact CG-CD2 4.28Å |
| 183 | D | 90.9 | Very high | 90 | Very high | 111 Ų | 111 | 66.1 Ų | 66.1 | 59% | 0.594 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -65.4 | -29.8 | 177.7 | -56.6 | -77.2 | 0 | 0 | 0 | 112.8 | S181 L186 R187 | S181-D183 PolarHBondContact O-N 3.07Å; S181-D183 PolarHBondContact OG-N 3.4Å; D183-L186 PolarHBondContact O-N 2.94Å; D183-R187 WeakPolarHBondContact O-CG 3.43Å; D183-R187 PolarHBondContact O-N 3.24Å; D183-R187 VanDerWaalsContact O-N 3.15Å |
| 184 | D | 91 | Very high | 90.1 | Very high | 44 Ų | 44 | 63.8 Ų | 63.8 | 24% | 0.235 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.6 | -42.1 | 173.5 | -59.6 | -50.9 | 0 | 0 | 0 | 111.8 | M180 S181 K182 L186 R187 L188 | M180-D184 HydrophobicContact CB-CB 3.93Å; M180-D184 HydrophobicContact CE-CB 3.94Å; M180-D184 HydrophobicContact CG-CB 3.97Å; S181-D184 WeakPolarHBondContact CB-OD2 3.31Å; S181-D184 PolarHBondContact N-OD2 3.06Å; S181-D184 WeakPolarHBondContact O-CB 3.29Å; S181-D184 PolarHBondContact O-N 3.45Å; S181-D184 VanDerWaalsContact O-N 3.07Å; S181-D184 PolarHBondContact OG-N 3.02Å; S181-D184 PolarHBondContact OG-OD2 3.35Å; K182-D184 VanDerWaalsContact C-N 3.29Å; K182-D184 PolarHBondContact O-N 3.31Å; D184-L186 VanDerWaalsContact C-N 3.33Å; D184-L186 PolarHBondContact O-N 3.47Å; D184-R187 PolarHBondContact O-N 3.34Å; D184-R187 IonicContact OD1-CZ 3.3Å; D184-R187 IonicContact OD1-NE 2.66Å; D184-R187 IonicContact OD1-NH2 3.56Å; D184-R187 PolarHBondContact OD1-NH2 3.34Å; D184-L188 PolarHBondContact O-N 3.35Å |
| 185 | F | 90.8 | Very high | 90 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 171.8 | -81.9 | -86.5 | 0 | 0 | 0 | 111.9 | F169 L177 M180 S181 K182 R187 L188 T189 A194 L197 L198 L201 | F169-F185 HydrophobicContact CE1-CD1 4.13Å; F169-F185 AromaticContact CE1-CE1 3.89Å; F169-F185 HydrophobicContact CE1-CE1 3.89Å; F169-F185 HydrophobicContact CZ-CD1 4.23Å; F169-F185 HydrophobicContact CZ-CE1 4.38Å; L177-F185 HydrophobicContact CD1-CE1 4.03Å; L177-F185 HydrophobicContact CD1-CZ 3.64Å; L177-F185 HydrophobicContact CG-CZ 4.28Å; M180-F185 HydrophobicContact CB-CD2 3.86Å; M180-F185 HydrophobicContact CB-CE2 3.55Å; M180-F185 HydrophobicContact CB-CZ 4.4Å; M180-F185 HydrophobicContact CE-CB 4.43Å; M180-F185 HydrophobicContact CE-CD1 4.01Å; M180-F185 HydrophobicContact CE-CD2 3.81Å; M180-F185 HydrophobicContact CE-CE1 4.19Å; M180-F185 HydrophobicContact CE-CE2 4Å; M180-F185 HydrophobicContact CE-CG 3.82Å; M180-F185 HydrophobicContact CE-CZ 4.19Å; M180-F185 HydrophobicContact SD-CE2 4.33Å; M180-F185 HydrophobicContact SD-CZ 4.36Å; S181-F185 PolarHBondContact O-N 3.39Å; K182-F185 PolarHBondContact O-N 2.86Å; F185-R187 PolarHBondContact O-N 2.98Å; F185-L188 PolarHBondContact O-N 3.13Å; F185-T189 PolarHBondContact O-N 3.11Å; F185-A194 HydrophobicContact CB-CB 3.76Å; F185-L197 HydrophobicContact CD1-CB 4.33Å; F185-L197 HydrophobicContact CD1-CD1 4.38Å; F185-L197 HydrophobicContact CE1-CB 4.11Å; F185-L198 HydrophobicContact CD2-CD1 4.39Å; F185-L198 HydrophobicContact CE2-CD1 4.14Å; F185-L201 HydrophobicContact CE2-CD2 4.47Å; F185-L201 HydrophobicContact CZ-CD2 4.21Å |
| 186 | L | 90.9 | Very high | 90.1 | Very high | 63 Ų | 63 | 64.1 Ų | 64.1 | 33% | 0.33 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.1 | -20.3 | 174.9 | -71.5 | 171.5 | 0 | 0 | 0 | 113.8 | K182 D183 D184 M191 A194 | K182-L186 HydrophobicContact CG-CD1 4.18Å; K182-L186 HydrophobicContact CG-CG 4.47Å; K182-L186 VanDerWaalsContact O-CG 3.29Å; K182-L186 WeakPolarHBondContact O-CG 3.29Å; K182-L186 PolarHBondContact O-N 2.82Å; D183-L186 PolarHBondContact O-N 2.94Å; D184-L186 VanDerWaalsContact C-N 3.33Å; D184-L186 PolarHBondContact O-N 3.47Å; L186-M191 VanDerWaalsContact CD2-CA 3.46Å; L186-M191 HydrophobicContact CD2-CB 3.6Å; L186-M191 HydrophobicContact CD2-CG 3.82Å; L186-M191 HydrophobicContact CD2-SD 4.4Å; L186-A194 HydrophobicContact CD2-CB 4.09Å; L186-A194 HydrophobicContact CG-CB 4.41Å |
| 187 | R | 89.1 | Confident | 90.1 | Very high | 186 Ų | 186 | 59.7 Ų | 59.7 | 70% | 0.702 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -84.4 | -15.9 | 172.4 | -70.4 | -175.6 | -55.1 | 122.1 | -7.9 | 113.6 | D183 D184 F185 | D183-R187 WeakPolarHBondContact O-CG 3.43Å; D183-R187 PolarHBondContact O-N 3.24Å; D183-R187 VanDerWaalsContact O-N 3.15Å; D184-R187 PolarHBondContact O-N 3.34Å; D184-R187 IonicContact OD1-CZ 3.3Å; D184-R187 IonicContact OD1-NE 2.66Å; D184-R187 IonicContact OD1-NH2 3.56Å; D184-R187 PolarHBondContact OD1-NH2 3.34Å; F185-R187 PolarHBondContact O-N 2.98Å |
| 188 | L | 87.3 | Confident | 90.2 | Very high | 47 Ų | 47 | 61.3 Ų | 61.3 | 25% | 0.246 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -108.7 | -21.2 | -179.7 | -56.8 | -170 | 0 | 0 | 0 | 113.9 | M168 F169 M180 D184 F185 | M168-L188 HydrophobicContact CB-CB 4.25Å; M168-L188 HydrophobicContact CB-CD2 4.32Å; F169-L188 HydrophobicContact CD1-CD1 4.12Å; F169-L188 HydrophobicContact CE1-CB 4.48Å; F169-L188 HydrophobicContact CE1-CD1 3.79Å; F169-L188 HydrophobicContact CE2-CB 3.86Å; F169-L188 HydrophobicContact CE2-CD1 4.24Å; F169-L188 HydrophobicContact CG-CD1 4.49Å; F169-L188 HydrophobicContact CZ-CB 3.72Å; F169-L188 HydrophobicContact CZ-CD1 3.86Å; F169-L188 HydrophobicContact CZ-CG 4.44Å; M180-L188 HydrophobicContact CE-CD1 3.65Å; M180-L188 HydrophobicContact CE-CG 4.3Å; M180-L188 HydrophobicContact SD-CD1 4.45Å; D184-L188 PolarHBondContact O-N 3.35Å; F185-L188 PolarHBondContact O-N 3.13Å |
| 189 | T | 88.6 | Confident | 90.1 | Very high | 18 Ų | 18 | 63.8 Ų | 63.8 | 11% | 0.11 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -155.7 | 174.3 | -179.8 | -161.1 | 0 | 0 | 0 | 0 | 112.7 | F185 N193 A194 L197 | F185-T189 PolarHBondContact O-N 3.11Å; T189-N193 HydrophobicContact CG2-CB 3.65Å; T189-N193 WeakPolarHBondContact OG1-CB 3.27Å; T189-N193 PolarHBondContact OG1-ND2 3.09Å; T189-N193 VanDerWaalsContact OG1-ND2 3.13Å; T189-A194 HydrophobicContact CG2-CB 4.2Å; T189-L197 HydrophobicContact CG2-CD1 4.03Å |
| 190 | T | 89.6 | Confident | 90.1 | Very high | 58 Ų | 58 | 58.4 Ų | 58.4 | 36% | 0.356 | 29% | 0.291 | S | S | . | . | trans | -63.5 | 156.5 | -178.7 | 71.9 | 0 | 0 | 0 | 0 | 112 | Y192 N193 A194 | T190-Y192 VanDerWaalsContact C-N 3.26Å; T190-Y192 PolarHBondContact O-N 3.27Å; T190-N193 PolarHBondContact O-N 3.1Å; T190-N193 VanDerWaalsContact O-N 3.14Å; T190-N193 PolarHBondContact OG1-N 2.86Å; T190-N193 PolarHBondContact OG1-ND2 3.49Å; T190-N193 PolarHBondContact OG1-OD1 3.42Å; T190-A194 WeakPolarHBondContact O-CB 3.5Å; T190-A194 PolarHBondContact O-N 2.91Å | ||
| 191 | M | 88.9 | Confident | 90.2 | Very high | 122 Ų | 122 | 57.1 Ų | 57.1 | 60% | 0.601 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -59.1 | -34.4 | -179.1 | -177.3 | 157.1 | 61.2 | 0 | 0 | 113.9 | L186 E195 | L186-M191 VanDerWaalsContact CD2-CA 3.46Å; L186-M191 HydrophobicContact CD2-CB 3.6Å; L186-M191 HydrophobicContact CD2-CG 3.82Å; L186-M191 HydrophobicContact CD2-SD 4.4Å; M191-E195 WeakPolarHBondContact O-CG 3.43Å; M191-E195 PolarHBondContact O-N 2.93Å |
| 192 | Y | 89.1 | Confident | 90.1 | Very high | 149 Ų | 149 | 57.9 Ų | 57.9 | 58% | 0.584 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -65.1 | -51.4 | 173.7 | 177.8 | -104.9 | 0 | 0 | 0 | 111.7 | L161 T190 A194 E195 V196 | L161-Y192 HydrophobicContact CD2-CD1 4.47Å; L161-Y192 HydrophobicContact CD2-CE1 4.06Å; T190-Y192 VanDerWaalsContact C-N 3.26Å; T190-Y192 PolarHBondContact O-N 3.27Å; Y192-A194 VanDerWaalsContact C-N 3.32Å; Y192-A194 PolarHBondContact O-N 3.46Å; Y192-E195 PolarHBondContact O-N 3.4Å; Y192-V196 HydrophobicContact CE1-CG2 4.34Å; Y192-V196 HydrophobicContact CE2-CG2 4.32Å; Y192-V196 WeakPolarHBondContact O-CG2 3.5Å; Y192-V196 PolarHBondContact O-N 2.88Å; Y192-V196 VanDerWaalsContact O-N 3.17Å |
| 193 | N | 89.8 | Confident | 90 | Very high | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 179.2 | -65 | -5.3 | 0 | 0 | 0 | 110.8 | L162 T189 T190 E195 V196 L197 | L162-N193 PolarHBondContact O-ND2 3.24Å; T189-N193 HydrophobicContact CG2-CB 3.65Å; T189-N193 WeakPolarHBondContact OG1-CB 3.27Å; T189-N193 PolarHBondContact OG1-ND2 3.09Å; T189-N193 VanDerWaalsContact OG1-ND2 3.13Å; T190-N193 PolarHBondContact O-N 3.1Å; T190-N193 VanDerWaalsContact O-N 3.14Å; T190-N193 PolarHBondContact OG1-N 2.86Å; T190-N193 PolarHBondContact OG1-ND2 3.49Å; T190-N193 PolarHBondContact OG1-OD1 3.42Å; N193-E195 VanDerWaalsContact C-N 3.34Å; N193-E195 PolarHBondContact O-N 3.14Å; N193-V196 PolarHBondContact O-N 3.32Å; N193-L197 HydrophobicContact CB-CD1 4.42Å; N193-L197 WeakPolarHBondContact O-CB 3.29Å; N193-L197 VanDerWaalsContact O-CD1 3.27Å; N193-L197 WeakPolarHBondContact O-CD1 3.47Å; N193-L197 WeakPolarHBondContact O-CG 3.42Å; N193-L197 PolarHBondContact O-N 3.25Å |
| 194 | A | 91.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.6 | -42.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F185 L186 T189 T190 Y192 L198 | F185-A194 HydrophobicContact CB-CB 3.76Å; L186-A194 HydrophobicContact CD2-CB 4.09Å; L186-A194 HydrophobicContact CG-CB 4.41Å; T189-A194 HydrophobicContact CG2-CB 4.2Å; T190-A194 WeakPolarHBondContact O-CB 3.5Å; T190-A194 PolarHBondContact O-N 2.91Å; Y192-A194 VanDerWaalsContact C-N 3.32Å; Y192-A194 PolarHBondContact O-N 3.46Å; A194-L198 WeakPolarHBondContact O-CB 3.43Å; A194-L198 PolarHBondContact O-N 2.82Å |
| 195 | E | 89.6 | Confident | 89.4 | Confident | 96 Ų | 96 | 59.8 Ų | 59.8 | 45% | 0.449 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -69.8 | -41.1 | 178.1 | -73 | -175 | 166.6 | 0 | 0 | 112.7 | K182 M191 Y192 N193 S199 | K182-E195 WeakPolarHBondContact CE-OE1 3.46Å; K182-E195 IonicContact NZ-OE1 3.5Å; K182-E195 PolarHBondContact NZ-OE1 3.12Å; M191-E195 WeakPolarHBondContact O-CG 3.43Å; M191-E195 PolarHBondContact O-N 2.93Å; Y192-E195 PolarHBondContact O-N 3.4Å; N193-E195 VanDerWaalsContact C-N 3.34Å; N193-E195 PolarHBondContact O-N 3.14Å; E195-S199 WeakPolarHBondContact O-CB 3.41Å; E195-S199 PolarHBondContact O-N 3.48Å |
| 196 | V | 92.3 | Very high | 88.7 | Confident | 27 Ų | 27 | 66.9 Ų | 66.9 | 16% | 0.164 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.8 | -47.6 | 176.5 | 176 | 0 | 0 | 0 | 0 | 111.2 | Y159 L161 Y192 N193 S199 H200 | Y159-V196 HydrophobicContact CD1-CG1 4.05Å; Y159-V196 HydrophobicContact CD2-CG1 3.65Å; Y159-V196 HydrophobicContact CE2-CG1 4.18Å; Y159-V196 HydrophobicContact CG-CG1 3.58Å; L161-V196 HydrophobicContact CD2-CB 4.22Å; L161-V196 HydrophobicContact CD2-CG1 4.16Å; L161-V196 HydrophobicContact CD2-CG2 4.32Å; Y192-V196 HydrophobicContact CE1-CG2 4.34Å; Y192-V196 HydrophobicContact CE2-CG2 4.32Å; Y192-V196 WeakPolarHBondContact O-CG2 3.5Å; Y192-V196 PolarHBondContact O-N 2.88Å; Y192-V196 VanDerWaalsContact O-N 3.17Å; N193-V196 PolarHBondContact O-N 3.32Å; V196-S199 PolarHBondContact O-N 3.15Å; V196-H200 PolarHBondContact O-N 3.09Å |
| 197 | L | 92.1 | Very high | 87.8 | Confident | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.8 | -47.4 | -179 | -67.7 | 162.5 | 0 | 0 | 0 | 111.8 | W151 L152 A155 L161 M164 F185 T189 N193 H200 L201 | W151-L197 HydrophobicContact CH2-CB 3.98Å; W151-L197 HydrophobicContact CH2-CD2 3.63Å; W151-L197 HydrophobicContact CH2-CG 4.41Å; W151-L197 HydrophobicContact CZ2-CD2 3.98Å; W151-L197 HydrophobicContact CZ3-CD2 4.1Å; L152-L197 HydrophobicContact CD1-CD2 4.12Å; A155-L197 HydrophobicContact CB-CD2 4.05Å; L161-L197 HydrophobicContact CD1-CD2 4.08Å; L161-L197 HydrophobicContact CD1-CG 4.19Å; M164-L197 HydrophobicContact CE-CD1 3.35Å; M164-L197 HydrophobicContact CE-CD2 4.18Å; M164-L197 HydrophobicContact CE-CG 4.39Å; M164-L197 HydrophobicContact SD-CD1 4.07Å; F185-L197 HydrophobicContact CD1-CB 4.33Å; F185-L197 HydrophobicContact CD1-CD1 4.38Å; F185-L197 HydrophobicContact CE1-CB 4.11Å; T189-L197 HydrophobicContact CG2-CD1 4.03Å; N193-L197 HydrophobicContact CB-CD1 4.42Å; N193-L197 WeakPolarHBondContact O-CB 3.29Å; N193-L197 VanDerWaalsContact O-CD1 3.27Å; N193-L197 WeakPolarHBondContact O-CD1 3.47Å; N193-L197 WeakPolarHBondContact O-CG 3.42Å; N193-L197 PolarHBondContact O-N 3.25Å; L197-H200 PolarHBondContact O-N 2.78Å; L197-L201 VanDerWaalsContact O-CB 3.31Å; L197-L201 WeakPolarHBondContact O-CB 3.46Å; L197-L201 PolarHBondContact O-N 3.36Å |
| 198 | L | 91.9 | Very high | 86.5 | Confident | 34 Ų | 34 | 58 Ų | 58 | 18% | 0.178 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.1 | -35.9 | 179.8 | -174.6 | 62.7 | 0 | 0 | 0 | 112 | K182 F185 A194 N202 | K182-L198 HydrophobicContact CB-CD2 3.95Å; K182-L198 HydrophobicContact CG-CD2 4.28Å; F185-L198 HydrophobicContact CD2-CD1 4.39Å; F185-L198 HydrophobicContact CE2-CD1 4.14Å; A194-L198 WeakPolarHBondContact O-CB 3.43Å; A194-L198 PolarHBondContact O-N 2.82Å; L198-N202 WeakPolarHBondContact O-CB 3.18Å; L198-N202 PolarHBondContact O-N 2.99Å; L198-N202 PolarHBondContact O-ND2 3.03Å; L198-N202 VanDerWaalsContact O-ND2 3.08Å |
| 199 | S | 89.9 | Confident | 85 | Confident | 83 Ų | 83 | 59 Ų | 59 | 58% | 0.58 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -61.5 | -50.7 | 173.2 | -177.4 | 0 | 0 | 0 | 0 | 111.3 | E195 V196 L201 N202 Y203 | E195-S199 WeakPolarHBondContact O-CB 3.41Å; E195-S199 PolarHBondContact O-N 3.48Å; V196-S199 PolarHBondContact O-N 3.15Å; S199-L201 PolarHBondContact O-N 3.07Å; S199-N202 PolarHBondContact O-N 3.49Å; S199-Y203 PolarHBondContact O-N 3.2Å |
| 200 | H | 90.6 | Very high | 83.4 | Confident | 25 Ų | 25 | 62.2 Ų | 62.2 | 12% | 0.116 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.8 | -39.7 | 178.1 | -171.8 | -88.9 | 0 | 0 | 0 | 112.7 | W151 W154 Y159 V196 L197 N202 Y203 L204 | W151-H200 AromaticContact CE2-ND1 3.88Å; W151-H200 HydrophobicContact CZ2-CB 4.49Å; W151-H200 AromaticContact NE1-CE1 3.58Å; W151-H200 AromaticContact NE1-ND1 3.1Å; W151-H200 PolarHBondContact NE1-ND1 3.38Å; W154-H200 AromaticContact CH2-CD2 3.94Å; W154-H200 AromaticContact CH2-CE1 3.84Å; W154-H200 AromaticContact CH2-NE2 3.41Å; W154-H200 WeakPolarHBondContact CH2-NE2 3.42Å; W154-H200 AromaticContact CZ3-CE1 3.53Å; W154-H200 AromaticContact CZ3-NE2 3.58Å; Y159-H200 PolarHBondContact OH-CD2 3.43Å; V196-H200 PolarHBondContact O-N 3.09Å; L197-H200 PolarHBondContact O-N 2.78Å; H200-N202 VanDerWaalsContact C-N 3.33Å; H200-N202 PolarHBondContact O-N 3.46Å; H200-Y203 PolarHBondContact O-N 2.97Å; H200-L204 WeakPolarHBondContact O-CG 3.46Å; H200-L204 PolarHBondContact O-N 3.31Å |
| 201 | L | 90.8 | Very high | 81.6 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 176.3 | -174.6 | 66 | 0 | 0 | 0 | 111.7 | P140 W143 L177 F185 L197 S199 L204 R205 | P140-L201 HydrophobicContact CB-CD1 3.6Å; P140-L201 HydrophobicContact CG-CD1 3.96Å; W143-L201 HydrophobicContact CZ3-CD1 4.48Å; L177-L201 HydrophobicContact CD2-CD1 3.94Å; L177-L201 HydrophobicContact CD2-CD2 4.4Å; L177-L201 HydrophobicContact CG-CD1 4.41Å; L177-L201 HydrophobicContact CG-CD2 4.02Å; L177-L201 WeakPolarHBondContact O-CD2 3.14Å; F185-L201 HydrophobicContact CE2-CD2 4.47Å; F185-L201 HydrophobicContact CZ-CD2 4.21Å; L197-L201 VanDerWaalsContact O-CB 3.31Å; L197-L201 WeakPolarHBondContact O-CB 3.46Å; L197-L201 PolarHBondContact O-N 3.36Å; S199-L201 PolarHBondContact O-N 3.07Å; L201-L204 PolarHBondContact O-N 3.09Å; L201-R205 VanDerWaalsContact O-CG 3.29Å; L201-R205 WeakPolarHBondContact O-CG 3.1Å; L201-R205 PolarHBondContact O-N 3.07Å; L201-R205 VanDerWaalsContact O-N 3.09Å |
| 202 | N | 88.3 | Confident | 79.3 | Confident | 64 Ų | 64 | 63.8 Ų | 63.8 | 34% | 0.342 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -70.4 | -39.5 | 175.9 | -73.6 | -36.8 | 0 | 0 | 0 | 112.6 | L198 S199 H200 L204 R205 E206 | L198-N202 WeakPolarHBondContact O-CB 3.18Å; L198-N202 PolarHBondContact O-N 2.99Å; L198-N202 PolarHBondContact O-ND2 3.03Å; L198-N202 VanDerWaalsContact O-ND2 3.08Å; S199-N202 PolarHBondContact O-N 3.49Å; H200-N202 VanDerWaalsContact C-N 3.33Å; H200-N202 PolarHBondContact O-N 3.46Å; N202-L204 VanDerWaalsContact C-N 3.3Å; N202-L204 PolarHBondContact O-N 3.17Å; N202-R205 PolarHBondContact O-N 3.14Å; N202-R205 VanDerWaalsContact O-N 3.14Å; N202-R205 PolarHBondContact OD1-NH1 3.38Å; N202-E206 WeakPolarHBondContact O-CB 3.3Å; N202-E206 PolarHBondContact O-N 2.84Å |
| 203 | Y | 87 | Confident | 76.6 | Confident | 142 Ų | 142 | 66.8 Ų | 66.8 | 56% | 0.557 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -56.4 | -43.1 | 172.6 | 169.2 | -104.8 | 0 | 0 | 0 | 112.3 | S199 H200 S207 | S199-Y203 PolarHBondContact O-N 3.2Å; H200-Y203 PolarHBondContact O-N 2.97Å; Y203-S207 VanDerWaalsContact O-CB 3.29Å; Y203-S207 WeakPolarHBondContact O-CB 2.89Å; Y203-S207 PolarHBondContact O-N 3.01Å; Y203-S207 PolarHBondContact O-OG 3.45Å |
| 204 | L | 86.8 | Confident | 74.2 | Confident | 34 Ų | 34 | 73.8 Ų | 73.8 | 18% | 0.178 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 174.5 | -69.8 | 176.5 | 0 | 0 | 0 | 112.3 | P140 W143 H200 L201 N202 S207 S208 | P140-L204 HydrophobicContact CG-CB 3.59Å; P140-L204 HydrophobicContact CG-CD1 3.97Å; P140-L204 HydrophobicContact CG-CG 4.48Å; W143-L204 HydrophobicContact CH2-CD1 3.52Å; W143-L204 HydrophobicContact CZ2-CD1 3.59Å; H200-L204 WeakPolarHBondContact O-CG 3.46Å; H200-L204 PolarHBondContact O-N 3.31Å; L201-L204 PolarHBondContact O-N 3.09Å; N202-L204 VanDerWaalsContact C-N 3.3Å; N202-L204 PolarHBondContact O-N 3.17Å; L204-S207 PolarHBondContact O-N 3.39Å; L204-S208 WeakPolarHBondContact O-CB 3.44Å; L204-S208 PolarHBondContact O-N 3.28Å; L204-S208 PolarHBondContact O-OG 3.36Å |
| 205 | R | 83.6 | Confident | 71.4 | Confident | 102 Ų | 102 | 80.1 Ų | 80.1 | 39% | 0.385 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.2 | -37.6 | 178.9 | -71.7 | 170.8 | 66.5 | -141 | 2.3 | 113.1 | P140 L201 N202 S208 S209 | P140-R205 HydrophobicContact CG-CG 4.2Å; L201-R205 VanDerWaalsContact O-CG 3.29Å; L201-R205 WeakPolarHBondContact O-CG 3.1Å; L201-R205 PolarHBondContact O-N 3.07Å; L201-R205 VanDerWaalsContact O-N 3.09Å; N202-R205 PolarHBondContact O-N 3.14Å; N202-R205 VanDerWaalsContact O-N 3.14Å; N202-R205 PolarHBondContact OD1-NH1 3.38Å; R205-S208 PolarHBondContact O-OG 3.38Å; R205-S208 VanDerWaalsContact O-OG 3.12Å; R205-S209 VanDerWaalsContact O-CB 3.24Å; R205-S209 WeakPolarHBondContact O-CB 3.24Å; R205-S209 PolarHBondContact O-N 3.02Å; R205-S209 PolarHBondContact O-OG 2.74Å |
| 206 | E | 76.6 | Confident | 68.9 | Low | 149 Ų | 149 | 81.5 Ų | 81.5 | 70% | 0.696 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -70.4 | -40.4 | 175.8 | -170.8 | 166.3 | -142.3 | 0 | 0 | 110.7 | N202 S210 | N202-E206 WeakPolarHBondContact O-CB 3.3Å; N202-E206 PolarHBondContact O-N 2.84Å; E206-S210 PolarHBondContact O-N 3Å; E206-S210 VanDerWaalsContact O-N 3.12Å |
| 207 | S | 70.1 | Confident | 66 | Low | 41 Ų | 41 | 85.6 Ų | 85.6 | 29% | 0.287 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61 | -47.1 | 172.5 | -59.8 | 0 | 0 | 0 | 0 | 112 | Y203 L204 S210 | Y203-S207 VanDerWaalsContact O-CB 3.29Å; Y203-S207 WeakPolarHBondContact O-CB 2.89Å; Y203-S207 PolarHBondContact O-N 3.01Å; Y203-S207 PolarHBondContact O-OG 3.45Å; L204-S207 PolarHBondContact O-N 3.39Å; S207-S210 PolarHBondContact O-N 3.33Å; S207-S210 PolarHBondContact O-OG 3.33Å |
| 208 | S | 61.8 | Low | 63.7 | Low | 22 Ų | 22 | 94.7 Ų | 94.7 | 15% | 0.154 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -68.4 | -39.3 | 179.3 | 69.4 | 0 | 0 | 0 | 0 | 112.7 | L204 R205 S210 L211 | L204-S208 WeakPolarHBondContact O-CB 3.44Å; L204-S208 PolarHBondContact O-N 3.28Å; L204-S208 PolarHBondContact O-OG 3.36Å; R205-S208 PolarHBondContact O-OG 3.38Å; R205-S208 VanDerWaalsContact O-OG 3.12Å; S208-S210 PolarHBondContact O-N 2.94Å; S208-L211 PolarHBondContact O-N 3.45Å; S208-L211 VanDerWaalsContact O-N 3.13Å |
| 209 | S | 57.3 | Low | 61.2 | Low | 68 Ų | 68 | 99.1 Ų | 99.1 | 48% | 0.476 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.5 | -25.4 | 176.4 | -57.9 | 0 | 0 | 0 | 0 | 113 | R205 L211 S212 | R205-S209 VanDerWaalsContact O-CB 3.24Å; R205-S209 WeakPolarHBondContact O-CB 3.24Å; R205-S209 PolarHBondContact O-N 3.02Å; R205-S209 PolarHBondContact O-OG 2.74Å; S209-L211 PolarHBondContact O-N 3.29Å; S209-S212 PolarHBondContact O-OG 3.47Å; S209-S212 VanDerWaalsContact O-OG 3.09Å |
| 210 | S | 54.4 | Low | 58.4 | Low | 84 Ų | 84 | 102.3 Ų | 102.3 | 59% | 0.587 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -17.3 | 175.3 | 79.1 | 0 | 0 | 0 | 0 | 114 | E206 S207 S208 | E206-S210 PolarHBondContact O-N 3Å; E206-S210 VanDerWaalsContact O-N 3.12Å; S207-S210 PolarHBondContact O-N 3.33Å; S207-S210 PolarHBondContact O-OG 3.33Å; S208-S210 PolarHBondContact O-N 2.94Å |
| 211 | L | 51.9 | Low | 55.7 | Low | 130 Ų | 130 | 109.5 Ų | 109.5 | 68% | 0.681 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -13.8 | -175.8 | -70.4 | 161.3 | 0 | 0 | 0 | 113.7 | S208 S209 Y213 | S208-L211 PolarHBondContact O-N 3.45Å; S208-L211 VanDerWaalsContact O-N 3.13Å; S209-L211 PolarHBondContact O-N 3.29Å; L211-Y213 PolarHBondContact O-N 3.02Å |
| 212 | S | 40.4 | Very low | 52.7 | Low | 84 Ų | 84 | 114.3 Ų | 114.3 | 59% | 0.587 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | 5 | -167.4 | 53.1 | 0 | 0 | 0 | 0 | 116.1 | S209 | S209-S212 PolarHBondContact O-OG 3.47Å; S209-S212 VanDerWaalsContact O-OG 3.09Å |
| 213 | Y | 33.2 | Very low | 50.3 | Low | 211 Ų | 211 | 117.3 Ų | 117.3 | 83% | 0.827 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 14 | -176.3 | -83.8 | -74.4 | 0 | 0 | 0 | 115.7 | L211 | L211-Y213 PolarHBondContact O-N 3.02Š|
| 214 | N | 37.7 | Very low | 47.6 | Very low | 150 Ų | 150 | 122 Ų | 122 | 80% | 0.802 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -85.3 | 122.9 | 168.1 | -84.6 | -17.4 | 0 | 0 | 0 | 111 | ||
| 215 | T | 32.5 | Very low | 45.3 | Very low | 133 Ų | 133 | 128.6 Ų | 128.6 | 82% | 0.816 | 69% | 0.693 | S | S | * | * | trans | -65.3 | 128.3 | -179.9 | 18.9 | 0 | 0 | 0 | 0 | 112.1 | S217 | T215-S217 PolarHBondContact O-N 2.93Å; T215-S217 VanDerWaalsContact O-N 3.15Å | ||
| 216 | P | 38.5 | Very low | 42.8 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 81% | 0.812 | 71% | 0.711 | S | S | * | * | trans | -77.9 | 102.5 | -178.2 | 30.1 | -34.1 | 0 | 0 | 0 | 111.8 | ||||
| 217 | S | 31.6 | Very low | 40.6 | Very low | 114 Ų | 114 | 125.6 Ų | 125.6 | 80% | 0.797 | 72% | 0.715 | S | S | * | * | trans | -70.7 | 130.6 | 164.3 | -68.6 | 0 | 0 | 0 | 0 | 110.3 | T215 T219 | T215-S217 PolarHBondContact O-N 2.93Å; T215-S217 VanDerWaalsContact O-N 3.15Å; S217-T219 PolarHBondContact O-N 3.08Å; S217-T219 VanDerWaalsContact O-N 3.11Å | ||
| 218 | H | 43.7 | Very low | 38.8 | Very low | 191 Ų | 191 | 133.5 Ų | 133.5 | 88% | 0.884 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -47.2 | 107.5 | -171.3 | -83.5 | -93.2 | 0 | 0 | 0 | 116.2 | ||
| 219 | T | 38.8 | Very low | 37.6 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -150.3 | 83 | 143.4 | 47.1 | 0 | 0 | 0 | 0 | 109.9 | S217 | S217-T219 PolarHBondContact O-N 3.08Å; S217-T219 VanDerWaalsContact O-N 3.11Å | ||
| 220 | D | 30.1 | Very low | 36.3 | Very low | 149 Ų | 149 | 145.6 Ų | 145.6 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -82.3 | 119.4 | 173.3 | -160.6 | -30 | 0 | 0 | 0 | 109.6 | ||||
| 221 | Q | 34.1 | Very low | 35.4 | Very low | 177 Ų | 177 | 147.1 Ų | 147.1 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | -127.4 | 109.1 | 172.6 | -73.9 | -165 | 30.4 | 0 | 0 | 109.8 | ||||
| 222 | S | 28.7 | Very low | 34.4 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | trans | -67.9 | 132 | -179.1 | -44.4 | 0 | 0 | 0 | 0 | 111.8 | R224 | S222-R224 PolarHBondContact O-N 3.03Š| ||
| 223 | P | 37.3 | Very low | 34.1 | Very low | 126 Ų | 126 | 152 Ų | 152 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -75.3 | 88.8 | -177.6 | 30.1 | -35.4 | 0 | 0 | 0 | 112.2 | ||||
| 224 | R | 31.3 | Very low | 34.1 | Very low | 242 Ų | 242 | 149.5 Ų | 149.5 | 91% | 0.913 | 82% | 0.819 | S | S | * | * | trans | -97 | 72.2 | 164.6 | -92.4 | -169.3 | 172 | -118.5 | 0.6 | 111.5 | S222 A226 | S222-R224 PolarHBondContact O-N 3.03Å; R224-A226 PolarHBondContact O-N 3.2Å | ||
| 225 | L | 37.2 | Very low | 33.9 | Very low | 172 Ų | 172 | 146.4 Ų | 146.4 | 90% | 0.901 | 81% | 0.814 | S | S | * | * | trans | -87 | 88.6 | 163.4 | -66.3 | -179 | 0 | 0 | 0 | 109.5 | A227 | L225-A227 PolarHBondContact O-N 2.61Š| ||
| 226 | A | 31.1 | Very low | 34.2 | Very low | 92 Ų | 92 | 146.4 Ų | 146.4 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | trans | -72 | 119.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | R224 K228 | R224-A226 PolarHBondContact O-N 3.2Å; A226-K228 PolarHBondContact O-N 3.49Å | ||
| 227 | A | 31.7 | Very low | 34.1 | Very low | 96 Ų | 96 | 151.4 Ų | 151.4 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | trans | -61.6 | 127.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | L225 | L225-A227 PolarHBondContact O-N 2.61Š| ||
| 228 | K | 31.2 | Very low | 34.3 | Very low | 207 Ų | 207 | 157.5 Ų | 157.5 | 90% | 0.9 | 82% | 0.822 | S | S | * | * | trans | -87.3 | 105.3 | 164.6 | -76.3 | -173.3 | 174.7 | -176.3 | 0 | 107.8 | A226 | A226-K228 PolarHBondContact O-N 3.49Š| ||
| 229 | E | 37.9 | Very low | 33.8 | Very low | 184 Ų | 184 | 155 Ų | 155 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 134.2 | 161.2 | -62.4 | -177.2 | 135.6 | 0 | 0 | 108.5 | ||
| 230 | D | 28.9 | Very low | 33.3 | Very low | 159 Ų | 159 | 151.4 Ų | 151.4 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 137.4 | 173.6 | -118.7 | -26.1 | 0 | 0 | 0 | 109.3 | S232 | D230-S232 PolarHBondContact O-N 3.4Š|
| 231 | P | 35.9 | Very low | 33.2 | Very low | 116 Ų | 116 | 156.5 Ų | 156.5 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 118 | -171.2 | 28.8 | -33.1 | 0 | 0 | 0 | 112.2 | ||
| 232 | S | 31.5 | Very low | 33 | Very low | 104 Ų | 104 | 153.6 Ų | 153.6 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 155.2 | 169 | -168.9 | 0 | 0 | 0 | 0 | 112 | D230 D234 | D230-S232 PolarHBondContact O-N 3.4Å; S232-D234 VanDerWaalsContact C-N 3.27Å; S232-D234 PolarHBondContact O-N 3.13Å |
| 233 | Y | 33.7 | Very low | 33 | Very low | 214 Ų | 214 | 156.4 Ų | 156.4 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | G | 310 helix | trans | -75.3 | 2.3 | -157 | -162.2 | -106.1 | 0 | 0 | 0 | 116.4 | A235 | Y233-A235 PolarHBondContact O-N 3.31Š|
| 234 | D | 33.5 | Very low | 32.7 | Very low | 157 Ų | 157 | 157.5 Ų | 157.5 | 84% | 0.84 | 82% | 0.823 | S | S | * | * | G | 310 helix | trans | -94.7 | 15.8 | -167.4 | -88.4 | -66 | 0 | 0 | 0 | 116.2 | S232 | S232-D234 VanDerWaalsContact C-N 3.27Å; S232-D234 PolarHBondContact O-N 3.13Å |
| 235 | A | 32.3 | Very low | 32.7 | Very low | 86 Ų | 86 | 153.5 Ų | 153.5 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | G | 310 helix | trans | -85.7 | -4.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y233 R237 | Y233-A235 PolarHBondContact O-N 3.31Å; A235-R237 VanDerWaalsContact C-N 3.26Å; A235-R237 PolarHBondContact O-N 3.35Å |
| 236 | V | 39.2 | Very low | 32.7 | Very low | 133 Ų | 133 | 154.2 Ų | 154.2 | 81% | 0.806 | 81% | 0.814 | S | S | * | * | trans | -86.6 | 52.1 | -173.5 | -165.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 237 | R | 36.4 | Very low | 32.7 | Very low | 230 Ų | 230 | 155.5 Ų | 155.5 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -164.8 | 124.3 | 163.2 | -117.5 | 167.4 | 180 | 178.7 | 0.2 | 113 | A235 | A235-R237 VanDerWaalsContact C-N 3.26Å; A235-R237 PolarHBondContact O-N 3.35Å |
| 238 | R | 35.8 | Very low | 32.6 | Very low | 241 Ų | 241 | 154.5 Ų | 154.5 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | trans | 69.6 | 137.5 | -169.4 | -43.2 | 178.7 | -126.9 | -117.6 | 5.7 | 111.3 | ||||
| 239 | T | 33.2 | Very low | 32.6 | Very low | 138 Ų | 138 | 154.6 Ų | 154.6 | 85% | 0.847 | 82% | 0.818 | S | S | * | * | cis | -124.4 | 154.1 | 5.7 | 42.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 240 | G | 28 | Very low | 32.2 | Very low | 54 Ų | 54 | 149.9 Ų | 149.9 | 56% | 0.557 | 82% | 0.818 | S | S | * | * | trans | -112.1 | 160.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 241 | W | 28.4 | Very low | 32.4 | Very low | 256 Ų | 256 | 147.4 Ų | 147.4 | 97% | 0.97 | 81% | 0.813 | S | S | * | * | trans | 68.3 | 133.8 | -179.9 | -37.5 | -40.5 | 0 | 0 | 0 | 113.1 | ||||
| 242 | S | 29.3 | Very low | 32.7 | Very low | 115 Ų | 115 | 147.6 Ų | 147.6 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | cis | -150.1 | 165.4 | 34.4 | -66.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 243 | N | 29.4 | Very low | 32.7 | Very low | 162 Ų | 162 | 148.2 Ų | 148.2 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | -74.2 | 154.8 | 171 | -55.3 | -36.4 | 0 | 0 | 0 | 111.9 | ||||
| 244 | N | 31.3 | Very low | 32.6 | Very low | 150 Ų | 150 | 144.4 Ų | 144.4 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | -149 | 149.6 | 121.8 | -156 | 2.7 | 0 | 0 | 0 | 110.8 | |||||
| 245 | M | 31.7 | Very low | 32.6 | Very low | 157 Ų | 157 | 142.5 Ų | 142.5 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -93.2 | 170 | 174.2 | -57 | -159.9 | 82.1 | 0 | 0 | 111.2 | ||||
| 246 | H | 36.3 | Very low | 32.6 | Very low | 187 Ų | 187 | 147 Ų | 147 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | -155.7 | 167 | 126.4 | -99 | 86.3 | 0 | 0 | 0 | 108.9 | |||||
| 247 | S | 31.4 | Very low | 32.2 | Very low | 120 Ų | 120 | 147.5 Ų | 147.5 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | -106.2 | 153 | -161.3 | -172.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 248 | G | 29.3 | Very low | 32 | Very low | 75 Ų | 75 | 143.7 Ų | 143.7 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | -176.1 | 54.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 249 | K | 31.7 | Very low | 31.8 | Very low | 209 Ų | 209 | 137.1 Ų | 137.1 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | -3.3 | 137.1 | 164.5 | -58.9 | 174.6 | 179 | 177.9 | 0 | 119.9 | ||||
| 250 | G | 28.3 | Very low | 31.5 | Very low | 84 Ų | 84 | 139.5 Ų | 139.5 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | trans | 131.3 | 125.1 | 136.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 251 | S | 33.1 | Very low | 31.4 | Very low | 107 Ų | 107 | 142.7 Ų | 142.7 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | trans | -125.1 | 158.1 | 161.4 | -155.4 | 0 | 0 | 0 | 0 | 107.4 | V253 | S251-V253 PolarHBondContact OG-N 3.12Š| ||
| 252 | P | 42.3 | Very low | 31.8 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | -136.1 | 145.9 | 78 | 34.1 | -18.8 | 0 | 0 | 0 | 115.9 | |||||
| 253 | V | 32.9 | Very low | 31.9 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 71% | 0.709 | 81% | 0.811 | S | S | * | * | trans | -6.8 | 127.5 | 147.4 | -176.6 | 0 | 0 | 0 | 0 | 116.7 | S251 | S251-V253 PolarHBondContact OG-N 3.12Š| ||
| 254 | V | 31.8 | Very low | 32.1 | Very low | 134 Ų | 134 | 140.7 Ų | 140.7 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | -121.2 | 124.6 | 149.3 | 174.4 | 0 | 0 | 0 | 0 | 108.1 | Q256 | V254-Q256 PolarHBondContact O-N 2.96Š| ||
| 255 | T | 33.5 | Very low | 32.6 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 72% | 0.718 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 125.3 | -178.8 | -40.5 | 0 | 0 | 0 | 0 | 110.7 | ||
| 256 | Q | 31.9 | Very low | 32.7 | Very low | 180 Ų | 180 | 141.9 Ų | 141.9 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 137.9 | 166.6 | -72.3 | -166.2 | -17.2 | 0 | 0 | 110.6 | V254 | V254-Q256 PolarHBondContact O-N 2.96Š|
| 257 | N | 29.6 | Very low | 33.2 | Very low | 145 Ų | 145 | 139 Ų | 139 | 78% | 0.775 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 136.7 | -175.5 | -70.4 | -18 | 0 | 0 | 0 | 111.6 | S259 | N257-S259 VanDerWaalsContact C-N 3.33Å; N257-S259 PolarHBondContact O-N 2.7Å |
| 258 | V | 33.4 | Very low | 34.2 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -74.8 | 87.3 | 169.5 | 179.7 | 0 | 0 | 0 | 0 | 109.2 | K260 | V258-K260 PolarHBondContact O-N 2.67Š| ||
| 259 | S | 30.3 | Very low | 35.8 | Very low | 103 Ų | 103 | 141 Ų | 141 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | -79.8 | 103.2 | 168.4 | -70.8 | 0 | 0 | 0 | 0 | 109.6 | N257 S261 | N257-S259 VanDerWaalsContact C-N 3.33Å; N257-S259 PolarHBondContact O-N 2.7Å; S259-S261 PolarHBondContact O-N 2.97Å | ||
| 260 | K | 28.2 | Very low | 38 | Very low | 188 Ų | 188 | 133.9 Ų | 133.9 | 82% | 0.817 | 76% | 0.761 | S | S | * | * | trans | -45.3 | 113.1 | -179.8 | -171.9 | 178.7 | -174.7 | 179.6 | 0 | 112.7 | V258 T262 | V258-K260 PolarHBondContact O-N 2.67Å; K260-T262 PolarHBondContact O-N 2.85Å | ||
| 261 | S | 26.3 | Very low | 40.6 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 85% | 0.846 | 74% | 0.736 | S | S | * | * | trans | -65.6 | 111.5 | 175.5 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | S259 | S259-S261 PolarHBondContact O-N 2.97Š| ||
| 262 | T | 36.2 | Very low | 43 | Very low | 125 Ų | 125 | 128.5 Ų | 128.5 | 77% | 0.767 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 121.8 | 164 | -55 | 0 | 0 | 0 | 0 | 108.3 | K260 Q264 | K260-T262 PolarHBondContact O-N 2.85Å; T262-Q264 PolarHBondContact O-N 2.6Å |
| 263 | E | 31.7 | Very low | 44.9 | Very low | 191 Ų | 191 | 129.6 Ų | 129.6 | 89% | 0.893 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 116.3 | 179.8 | -162.3 | 174 | 141 | 0 | 0 | 110.3 | ||
| 264 | Q | 32.1 | Very low | 47.1 | Very low | 174 Ų | 174 | 128.7 Ų | 128.7 | 81% | 0.813 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 136.9 | 175.9 | -84.2 | -162.7 | -14.6 | 0 | 0 | 111.4 | T262 | T262-Q264 PolarHBondContact O-N 2.6Š|
| 265 | P | 42 | Very low | 49.6 | Very low | 121 Ų | 121 | 123.5 Ų | 123.5 | 79% | 0.786 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 143.8 | 172.2 | -22.8 | 33.9 | 0 | 0 | 0 | 112.5 | ||
| 266 | R | 34.4 | Very low | 51.8 | Low | 212 Ų | 212 | 118.1 Ų | 118.1 | 80% | 0.8 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 134.8 | 169.4 | -167.2 | -173.3 | -53.8 | 156.4 | 5.8 | 109.9 | Q268 | R266-Q268 PolarHBondContact O-N 2.69Š|
| 267 | P | 46.6 | Very low | 54.1 | Low | 125 Ų | 125 | 113.1 Ų | 113.1 | 81% | 0.812 | 61% | 0.609 | S | S | * | * | trans | -67.1 | 97.3 | 179.7 | 27.2 | -34.3 | 0 | 0 | 0 | 110.4 | ||||
| 268 | Q | 52.3 | Low | 56.4 | Low | 157 Ų | 157 | 109.2 Ų | 109.2 | 73% | 0.734 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 133.1 | 161.5 | -71.4 | -71.3 | 4.9 | 0 | 0 | 107.7 | R266 D270 | R266-Q268 PolarHBondContact O-N 2.69Å; Q268-D270 PolarHBondContact O-N 2.69Å |
| 269 | P | 63.9 | Low | 58.8 | Low | 80 Ų | 80 | 102.1 Ų | 102.1 | 52% | 0.519 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 137.3 | 173.7 | 28.6 | -34.3 | 0 | 0 | 0 | 109.4 | I274 | P269-I274 HydrophobicContact CB-CD1 3.79Å; P269-I274 HydrophobicContact CG-CD1 3.63Å |
| 270 | D | 78.3 | Confident | 61.3 | Low | 61 Ų | 61 | 100.4 Ų | 100.4 | 33% | 0.326 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 121.5 | 179.4 | 174.4 | 3.1 | 0 | 0 | 0 | 110.3 | Q268 Y272 Q273 I274 | Q268-D270 PolarHBondContact O-N 2.69Å; D270-Y272 PolarHBondContact O-N 3.46Å; D270-Y272 VanDerWaalsContact O-N 3.16Å; D270-Y272 WeakPolarHBondContact OD1-CB 3.31Å; D270-Y272 WeakPolarHBondContact OD1-CD2 3.3Å; D270-Y272 PolarHBondContact OD1-N 3.16Å; D270-Q273 HydrophobicContact CB-CB 4.3Å; D270-Q273 HydrophobicContact CB-CG 3.93Å; D270-Q273 VanDerWaalsContact CB-NE2 3.33Å; D270-Q273 WeakPolarHBondContact O-CB 3.28Å; D270-Q273 PolarHBondContact O-N 3.11Å; D270-Q273 PolarHBondContact OD2-NE2 2.73Å; D270-Q273 VanDerWaalsContact OD2-NE2 3.11Å; D270-I274 PolarHBondContact O-N 2.94Å |
| 271 | P | 81.1 | Confident | 63.8 | Low | 50 Ų | 50 | 101.4 Ų | 101.4 | 33% | 0.325 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63 | -23.3 | -177.9 | 27.4 | -36 | 0 | 0 | 0 | 112.6 | I274 L275 W311 | P271-I274 PolarHBondContact O-N 2.84Å; P271-L275 VanDerWaalsContact O-CB 3.27Å; P271-L275 WeakPolarHBondContact O-CB 2.92Å; P271-L275 PolarHBondContact O-N 3.49Å; P271-W311 HydrophobicContact CB-CB 3.66Å; P271-W311 HydrophobicContact CB-CG 4.26Å; P271-W311 HydrophobicContact CG-CB 3.87Å |
| 272 | Y | 84.1 | Confident | 66.3 | Low | 27 Ų | 27 | 97.1 Ų | 97.1 | 11% | 0.106 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -70.7 | -30 | 173.5 | -69.4 | -85.4 | 0 | 0 | 0 | 112.5 | D270 G276 L300 S303 A306 I309 T310 W311 | D270-Y272 PolarHBondContact O-N 3.46Å; D270-Y272 VanDerWaalsContact O-N 3.16Å; D270-Y272 WeakPolarHBondContact OD1-CB 3.31Å; D270-Y272 WeakPolarHBondContact OD1-CD2 3.3Å; D270-Y272 PolarHBondContact OD1-N 3.16Å; Y272-G276 WeakPolarHBondContact O-CA 3.46Å; Y272-G276 PolarHBondContact O-N 3.42Å; Y272-L300 WeakPolarHBondContact CD1-O 3.43Å; Y272-L300 WeakPolarHBondContact CE1-O 3.16Å; Y272-S303 VanDerWaalsContact CE1-CA 3.49Å; Y272-A306 WeakPolarHBondContact OH-CB 3.5Å; Y272-I309 PolarHBondContact OH-O 3.35Å; Y272-T310 VanDerWaalsContact OH-CA 3.31Å; Y272-T310 WeakPolarHBondContact OH-CA 3.34Å; Y272-T310 VanDerWaalsContact OH-CB 3.3Å; Y272-T310 WeakPolarHBondContact OH-CB 3.35Å; Y272-T310 PolarHBondContact OH-OG1 2.98Å; Y272-W311 AromaticContact CD1-CD1 3.79Å; Y272-W311 AromaticContact CE1-CD1 3.8Å |
| 273 | Q | 81.7 | Confident | 68.3 | Low | 143 Ų | 143 | 91.3 Ų | 91.3 | 67% | 0.668 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -72.6 | -34.1 | 175.9 | -66.6 | 173 | 39.5 | 0 | 0 | 111.8 | D270 | D270-Q273 HydrophobicContact CB-CB 4.3Å; D270-Q273 HydrophobicContact CB-CG 3.93Å; D270-Q273 VanDerWaalsContact CB-NE2 3.33Å; D270-Q273 WeakPolarHBondContact O-CB 3.28Å; D270-Q273 PolarHBondContact O-N 3.11Å; D270-Q273 PolarHBondContact OD2-NE2 2.73Å; D270-Q273 VanDerWaalsContact OD2-NE2 3.11Å |
| 274 | I | 80.7 | Confident | 70.1 | Confident | 98 Ų | 98 | 86.9 Ų | 86.9 | 50% | 0.503 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -82 | -46.8 | 178.1 | -61.8 | 176.5 | 0 | 0 | 0 | 111.8 | P269 D270 P271 | P269-I274 HydrophobicContact CB-CD1 3.79Å; P269-I274 HydrophobicContact CG-CD1 3.63Å; D270-I274 PolarHBondContact O-N 2.94Å; P271-I274 PolarHBondContact O-N 2.84Å |
| 275 | L | 82.4 | Confident | 71.8 | Confident | 25 Ų | 25 | 83.3 Ų | 83.3 | 13% | 0.131 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -99 | -21 | -170.5 | -58.8 | 176.1 | 0 | 0 | 0 | 113.4 | P271 T278 S279 W311 | P271-L275 VanDerWaalsContact O-CB 3.27Å; P271-L275 WeakPolarHBondContact O-CB 2.92Å; P271-L275 PolarHBondContact O-N 3.49Å; L275-T278 PolarHBondContact O-N 3.39Å; L275-S279 VanDerWaalsContact O-CB 3.28Å; L275-S279 WeakPolarHBondContact O-CB 3.27Å; L275-S279 PolarHBondContact O-N 3.41Å; L275-S279 PolarHBondContact O-OG 2.87Å; L275-W311 HydrophobicContact CB-CD2 4.18Å; L275-W311 HydrophobicContact CB-CZ2 4.13Å; L275-W311 HydrophobicContact CD1-CD2 3.58Å; L275-W311 HydrophobicContact CD1-CE3 3.53Å; L275-W311 HydrophobicContact CD1-CG 4.06Å; L275-W311 HydrophobicContact CD1-CZ3 4.04Å |
| 276 | G | 80.3 | Confident | 72.9 | Confident | 5 Ų | 5 | 81 Ų | 81 | 5% | 0.052 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -57.7 | -52.7 | 180 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y272 T278 S279 S280 | Y272-G276 WeakPolarHBondContact O-CA 3.46Å; Y272-G276 PolarHBondContact O-N 3.42Å; G276-T278 VanDerWaalsContact C-N 3.32Å; G276-T278 PolarHBondContact O-N 3.16Å; G276-S279 PolarHBondContact O-N 3.34Å; G276-S280 WeakPolarHBondContact O-CB 3.5Å; G276-S280 PolarHBondContact O-N 2.98Å |
| 277 | P | 79.8 | Confident | 74.5 | Confident | 75 Ų | 75 | 73.5 Ų | 73.5 | 49% | 0.487 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59 | -41.2 | 178.2 | -25.5 | 35.1 | 0 | 0 | 0 | 113.1 | R281 | P277-R281 WeakPolarHBondContact O-CG 3.3Å; P277-R281 PolarHBondContact O-N 2.88Å; P277-R281 VanDerWaalsContact O-N 3.14Å |
| 278 | T | 79.3 | Confident | 75.5 | Confident | 63 Ų | 63 | 70.2 Ų | 70.2 | 39% | 0.387 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 176.4 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | L275 G276 R281 L282 F371 | L275-T278 PolarHBondContact O-N 3.39Å; G276-T278 VanDerWaalsContact C-N 3.32Å; G276-T278 PolarHBondContact O-N 3.16Å; T278-R281 PolarHBondContact O-N 2.95Å; T278-L282 HydrophobicContact CG2-CD1 3.85Å; T278-L282 WeakPolarHBondContact O-CG 3.12Å; T278-L282 PolarHBondContact O-N 3.04Å; T278-L282 VanDerWaalsContact O-N 3.09Å; T278-F371 HydrophobicContact CG2-CE1 4.46Å |
| 279 | S | 82.7 | Confident | 77.1 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -69.8 | -38.9 | -178.1 | -54.6 | 0 | 0 | 0 | 0 | 112.1 | L275 G276 L282 A283 W311 | L275-S279 VanDerWaalsContact O-CB 3.28Å; L275-S279 WeakPolarHBondContact O-CB 3.27Å; L275-S279 PolarHBondContact O-N 3.41Å; L275-S279 PolarHBondContact O-OG 2.87Å; G276-S279 PolarHBondContact O-N 3.34Å; S279-L282 PolarHBondContact O-N 2.99Å; S279-A283 VanDerWaalsContact O-CB 3.27Å; S279-A283 WeakPolarHBondContact O-CB 3.21Å; S279-A283 PolarHBondContact O-N 2.8Å; S279-W311 WeakPolarHBondContact OG-CZ2 3.37Å |
| 280 | S | 82.7 | Confident | 78.4 | Confident | 68 Ų | 68 | 67.2 Ų | 67.2 | 48% | 0.476 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 171.8 | 179.4 | 0 | 0 | 0 | 0 | 111.8 | G276 L282 | G276-S280 WeakPolarHBondContact O-CB 3.5Å; G276-S280 PolarHBondContact O-N 2.98Å; S280-L282 PolarHBondContact O-N 2.67Å |
| 281 | R | 81.4 | Confident | 79.1 | Confident | 209 Ų | 209 | 68.1 Ų | 68.1 | 79% | 0.789 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -67.4 | -29.7 | 176 | -72.5 | 174 | -177.1 | -101.7 | 8.2 | 114.2 | P277 T278 | P277-R281 WeakPolarHBondContact O-CG 3.3Å; P277-R281 PolarHBondContact O-N 2.88Å; P277-R281 VanDerWaalsContact O-N 3.14Å; T278-R281 PolarHBondContact O-N 2.95Å |
| 282 | L | 79.3 | Confident | 79.8 | Confident | 30 Ų | 30 | 65.9 Ų | 65.9 | 16% | 0.157 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -88.6 | -22.1 | -178.4 | -66.1 | 170 | 0 | 0 | 0 | 113.1 | T278 S279 S280 L297 F371 I374 L378 | T278-L282 HydrophobicContact CG2-CD1 3.85Å; T278-L282 WeakPolarHBondContact O-CG 3.12Å; T278-L282 PolarHBondContact O-N 3.04Å; T278-L282 VanDerWaalsContact O-N 3.09Å; S279-L282 PolarHBondContact O-N 2.99Å; S280-L282 PolarHBondContact O-N 2.67Å; L282-L297 HydrophobicContact CB-CD1 3.76Å; L282-L297 HydrophobicContact CD1-CD1 4.22Å; L282-F371 HydrophobicContact CD1-CD1 4.04Å; L282-F371 HydrophobicContact CD1-CE1 4.01Å; L282-I374 HydrophobicContact CD1-CG2 4.33Å; L282-I374 HydrophobicContact CD2-CG2 4.06Å; L282-L378 HydrophobicContact CD2-CD1 3.41Å; L282-L378 VanDerWaalsContact CD2-CD1 3.41Å |
| 283 | A | 77.4 | Confident | 80.3 | Confident | 3 Ų | 3 | 64.6 Ų | 64.6 | 3% | 0.025 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -90.2 | 100 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | S279 P285 Q294 L297 E298 | S279-A283 VanDerWaalsContact O-CB 3.27Å; S279-A283 WeakPolarHBondContact O-CB 3.21Å; S279-A283 PolarHBondContact O-N 2.8Å; A283-P285 WeakPolarHBondContact O-CD 3.42Å; A283-P285 VanDerWaalsContact O-CG 3.31Å; A283-P285 WeakPolarHBondContact O-CG 3.23Å; A283-P285 VanDerWaalsContact O-N 3.12Å; A283-Q294 WeakPolarHBondContact CB-O 3.5Å; A283-L297 HydrophobicContact CB-CB 4.13Å; A283-E298 HydrophobicContact CB-CB 3.82Å; A283-E298 HydrophobicContact CB-CG 4.37Å |
| 284 | N | 70.6 | Confident | 81 | Confident | 98 Ų | 98 | 58.5 Ų | 58.5 | 52% | 0.524 | 34% | 0.341 | S | S | . | . | trans | -65.3 | 105.4 | 171.2 | -78.7 | -17.1 | 0 | 0 | 0 | 110.2 | ||||
| 285 | P | 67.4 | Low | 81.7 | Confident | 100 Ų | 100 | 54 Ų | 54 | 65% | 0.649 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | 160.4 | -167.8 | -13.4 | 31.1 | 0 | 0 | 0 | 112.4 | A283 S287 | A283-P285 WeakPolarHBondContact O-CD 3.42Å; A283-P285 VanDerWaalsContact O-CG 3.31Å; A283-P285 WeakPolarHBondContact O-CG 3.23Å; A283-P285 VanDerWaalsContact O-N 3.12Å; P285-S287 PolarHBondContact O-N 2.94Å |
| 286 | G | 64.6 | Low | 82.4 | Confident | 72 Ų | 72 | 52.8 Ų | 52.8 | 74% | 0.742 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | -12.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 287 | S | 68.9 | Low | 83.1 | Confident | 55 Ų | 55 | 52.5 Ų | 52.5 | 39% | 0.385 | 31% | 0.309 | S | S | . | . | trans | -77.1 | 125.4 | 177.8 | -178.8 | 0 | 0 | 0 | 0 | 112.6 | P285 Q289 I290 | P285-S287 PolarHBondContact O-N 2.94Å; S287-Q289 PolarHBondContact O-N 2.86Å; S287-Q289 VanDerWaalsContact O-N 3.11Å; S287-Q289 PolarHBondContact OG-N 2.93Å; S287-Q289 VanDerWaalsContact OG-N 3.11Å; S287-I290 WeakPolarHBondContact O-CB 3.32Å; S287-I290 WeakPolarHBondContact O-CG2 3.39Å; S287-I290 PolarHBondContact O-N 2.86Å | ||
| 288 | G | 67.4 | Low | 83.8 | Confident | 56 Ų | 56 | 50.6 Ų | 50.6 | 58% | 0.577 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -17 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | K334 | G288-K334 PolarHBondContact O-NZ 3.39Š|
| 289 | Q | 84.7 | Confident | 84.5 | Confident | 170 Ų | 170 | 48.1 Ų | 48.1 | 79% | 0.794 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -7.6 | 176.3 | -164.7 | 164.3 | -10.4 | 0 | 0 | 113.5 | S287 K334 | S287-Q289 PolarHBondContact O-N 2.86Å; S287-Q289 VanDerWaalsContact O-N 3.11Å; S287-Q289 PolarHBondContact OG-N 2.93Å; S287-Q289 VanDerWaalsContact OG-N 3.11Å; Q289-K334 VanDerWaalsContact C-NZ 3.27Å; Q289-K334 PolarHBondContact O-NZ 2.97Å |
| 290 | I | 90.8 | Very high | 85.1 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | trans | -44.1 | 138.3 | -177.9 | -166.3 | 170.9 | 0 | 0 | 0 | 114.3 | S287 Q294 F295 E298 W330 R333 K334 | S287-I290 WeakPolarHBondContact O-CB 3.32Å; S287-I290 WeakPolarHBondContact O-CG2 3.39Å; S287-I290 PolarHBondContact O-N 2.86Å; I290-Q294 HydrophobicContact CD1-CB 4Å; I290-Q294 HydrophobicContact CG1-CB 3.6Å; I290-F295 HydrophobicContact CD1-CB 4.11Å; I290-F295 HydrophobicContact CG1-CB 4.39Å; I290-E298 WeakPolarHBondContact CD1-OE2 3.3Å; I290-W330 HydrophobicContact CG2-CZ3 4.31Å; I290-W330 WeakPolarHBondContact O-CH2 3.33Å; I290-R333 HydrophobicContact CG2-CG 3.74Å; I290-K334 HydrophobicContact CG2-CD 4.38Å; I290-K334 PolarHBondContact O-NZ 3.08Å | ||
| 291 | Q | 93.9 | Very high | 85.6 | Confident | 80 Ų | 80 | 46.6 Ų | 46.6 | 37% | 0.374 | 27% | 0.267 | S | S | . | . | trans | -81.4 | 158.2 | 176.5 | -59.8 | -176.8 | 56.7 | 0 | 0 | 111.7 | W293 Q294 F295 | Q291-W293 VanDerWaalsContact C-N 3.33Å; Q291-W293 VanDerWaalsContact CD-NE1 3.34Å; Q291-W293 PolarHBondContact O-N 3.37Å; Q291-Q294 HydrophobicContact CB-CG 4.3Å; Q291-Q294 PolarHBondContact O-N 3.26Å; Q291-F295 PolarHBondContact O-N 2.79Å | ||
| 292 | L | 95.7 | Very high | 86 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.8 | -39.6 | -178.5 | 175.2 | 60.1 | 0 | 0 | 0 | 112.1 | Q294 F295 L296 W330 L344 A347 L348 Y351 | L292-Q294 PolarHBondContact O-N 3.07Å; L292-F295 HydrophobicContact CD1-CD1 4.17Å; L292-F295 PolarHBondContact O-N 3.24Å; L292-L296 HydrophobicContact CD1-CD1 4.08Å; L292-L296 HydrophobicContact CD1-CD2 4.41Å; L292-L296 HydrophobicContact CD1-CG 4.02Å; L292-L296 HydrophobicContact CG-CD1 4.16Å; L292-L296 VanDerWaalsContact O-CG 3.27Å; L292-L296 WeakPolarHBondContact O-CG 3.37Å; L292-L296 PolarHBondContact O-N 3.17Å; L292-W330 HydrophobicContact CB-CH2 3.9Å; L292-W330 HydrophobicContact CB-CZ2 3.75Å; L292-W330 HydrophobicContact CB-CZ3 4.43Å; L292-W330 HydrophobicContact CD1-CD2 3.76Å; L292-W330 HydrophobicContact CD1-CE3 4.12Å; L292-W330 HydrophobicContact CD1-CG 4.02Å; L292-W330 HydrophobicContact CD1-CZ2 4.33Å; L292-L344 HydrophobicContact CD1-CD1 4.09Å; L292-L344 HydrophobicContact CD1-CD2 4.33Å; L292-L344 HydrophobicContact CD1-CG 3.99Å; L292-L344 HydrophobicContact CD2-CD2 4.19Å; L292-L344 HydrophobicContact CD2-CG 4.04Å; L292-A347 HydrophobicContact CD2-CB 3.64Å; L292-L348 HydrophobicContact CD2-CD2 3.53Å; L292-L348 HydrophobicContact CD2-CG 4.13Å; L292-L348 HydrophobicContact CG-CD2 3.97Å; L292-Y351 HydrophobicContact CB-CE2 4.02Å; L292-Y351 HydrophobicContact CD2-CE2 4.37Å; L292-Y351 HydrophobicContact CG-CE2 4.31Å; L292-Y351 PolarHBondContact N-OH 2.81Å |
| 293 | W | 95.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.1 | -39.2 | 177.5 | 70.2 | -97.8 | 0 | 0 | 0 | 112.6 | Q291 L296 L297 Y351 I356 M357 F369 I374 A377 L378 | Q291-W293 VanDerWaalsContact C-N 3.33Å; Q291-W293 VanDerWaalsContact CD-NE1 3.34Å; Q291-W293 PolarHBondContact O-N 3.37Å; W293-L296 PolarHBondContact O-N 2.82Å; W293-L297 HydrophobicContact CE3-CD1 3.77Å; W293-L297 HydrophobicContact CZ3-CD1 3.85Å; W293-L297 PolarHBondContact O-N 2.66Å; W293-L297 VanDerWaalsContact O-N 3.13Å; W293-Y351 HydrophobicContact CB-CD2 4.47Å; W293-Y351 HydrophobicContact CB-CE2 3.99Å; W293-Y351 AromaticContact CD1-CE1 3.85Å; W293-Y351 AromaticContact CD1-CZ 3.71Å; W293-I356 HydrophobicContact CB-CG2 3.68Å; W293-I356 HydrophobicContact CD2-CG2 4.35Å; W293-I356 HydrophobicContact CG-CG2 3.76Å; W293-M357 HydrophobicContact CB-CE 4.04Å; W293-F369 HydrophobicContact CB-CE1 4.25Å; W293-I374 HydrophobicContact CE3-CG1 4.34Å; W293-I374 HydrophobicContact CE3-CG2 4.32Å; W293-I374 HydrophobicContact CH2-CG2 3.94Å; W293-I374 HydrophobicContact CZ3-CG1 4.45Å; W293-I374 HydrophobicContact CZ3-CG2 3.62Å; W293-A377 HydrophobicContact CZ2-CB 4.36Å; W293-L378 HydrophobicContact CH2-CD1 4.43Å; W293-L378 HydrophobicContact CH2-CD2 3.86Å; W293-L378 HydrophobicContact CH2-CG 3.9Å; W293-L378 HydrophobicContact CZ2-CD2 4.46Å |
| 294 | Q | 94.6 | Very high | 87.5 | Confident | 15 Ų | 15 | 46.7 Ų | 46.7 | 7% | 0.07 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.4 | -44.6 | 175.7 | -64.3 | 175 | -60.8 | 0 | 0 | 111.4 | A283 I290 Q291 L292 L296 L297 E298 | A283-Q294 WeakPolarHBondContact CB-O 3.5Å; I290-Q294 HydrophobicContact CD1-CB 4Å; I290-Q294 HydrophobicContact CG1-CB 3.6Å; Q291-Q294 HydrophobicContact CB-CG 4.3Å; Q291-Q294 PolarHBondContact O-N 3.26Å; L292-Q294 PolarHBondContact O-N 3.07Å; Q294-L296 VanDerWaalsContact C-N 3.3Å; Q294-L296 PolarHBondContact O-N 2.92Å; Q294-L297 PolarHBondContact O-N 2.84Å; Q294-E298 PolarHBondContact O-N 3.17Å |
| 295 | F | 96 | Very high | 88.6 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.009 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.4 | -36.7 | 176.8 | 167.4 | -98 | 0 | 0 | 0 | 112.8 | I290 Q291 L292 E298 L299 R329 W330 R333 | I290-F295 HydrophobicContact CD1-CB 4.11Å; I290-F295 HydrophobicContact CG1-CB 4.39Å; Q291-F295 PolarHBondContact O-N 2.79Å; L292-F295 HydrophobicContact CD1-CD1 4.17Å; L292-F295 PolarHBondContact O-N 3.24Å; F295-E298 WeakPolarHBondContact O-CB 3.34Å; F295-E298 PolarHBondContact O-N 3.03Å; F295-L299 HydrophobicContact CD1-CD1 4.5Å; F295-L299 HydrophobicContact CE1-CD1 3.74Å; F295-L299 HydrophobicContact CE1-CG 4.42Å; F295-L299 HydrophobicContact CE2-CD1 4.35Å; F295-L299 HydrophobicContact CE2-CG 4.34Å; F295-L299 HydrophobicContact CZ-CD1 3.65Å; F295-L299 HydrophobicContact CZ-CD2 4.49Å; F295-L299 HydrophobicContact CZ-CG 4.13Å; F295-L299 PolarHBondContact O-N 3.09Å; F295-L299 VanDerWaalsContact O-N 3.11Å; F295-R329 HydrophobicContact CE2-CB 4.48Å; F295-R329 HydrophobicContact CZ-CB 3.77Å; F295-W330 HydrophobicContact CB-CE3 3.9Å; F295-W330 HydrophobicContact CB-CZ3 3.74Å; F295-W330 HydrophobicContact CD1-CB 4.27Å; F295-W330 HydrophobicContact CD1-CD2 4.26Å; F295-W330 AromaticContact CD1-CE3 3.55Å; F295-W330 HydrophobicContact CD1-CE3 3.55Å; F295-W330 HydrophobicContact CD1-CZ3 4.27Å; F295-W330 HydrophobicContact CD2-CE3 4.17Å; F295-W330 HydrophobicContact CE1-CB 3.69Å; F295-W330 HydrophobicContact CE1-CE3 4.09Å; F295-W330 HydrophobicContact CE1-CG 4.44Å; F295-W330 AromaticContact CG-CE3 3.59Å; F295-W330 HydrophobicContact CG-CE3 3.59Å; F295-W330 AromaticContact CG-CZ3 3.96Å; F295-W330 HydrophobicContact CG-CZ3 3.96Å; F295-W330 HydrophobicContact CZ-CB 4.12Å; F295-R333 HydrophobicContact CD2-CB 4.23Å; F295-R333 HydrophobicContact CD2-CG 3.93Å; F295-R333 HydrophobicContact CE2-CB 4.02Å; F295-R333 HydrophobicContact CE2-CG 4.2Å |
| 296 | L | 96.9 | Very high | 90 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.3 | -38.2 | 175.6 | -66.7 | 174.3 | 0 | 0 | 0 | 111.9 | L292 W293 Q294 E298 L300 I309 F318 M320 V326 L348 M357 F369 | L292-L296 HydrophobicContact CD1-CD1 4.08Å; L292-L296 HydrophobicContact CD1-CD2 4.41Å; L292-L296 HydrophobicContact CD1-CG 4.02Å; L292-L296 HydrophobicContact CG-CD1 4.16Å; L292-L296 VanDerWaalsContact O-CG 3.27Å; L292-L296 WeakPolarHBondContact O-CG 3.37Å; L292-L296 PolarHBondContact O-N 3.17Å; W293-L296 PolarHBondContact O-N 2.82Å; Q294-L296 VanDerWaalsContact C-N 3.3Å; Q294-L296 PolarHBondContact O-N 2.92Å; L296-E298 VanDerWaalsContact C-N 3.32Å; L296-L300 VanDerWaalsContact O-CB 3.24Å; L296-L300 WeakPolarHBondContact O-CB 3.31Å; L296-L300 WeakPolarHBondContact O-CD1 3.37Å; L296-L300 VanDerWaalsContact O-CG 3.28Å; L296-L300 WeakPolarHBondContact O-CG 3.17Å; L296-L300 PolarHBondContact O-N 2.85Å; L296-I309 HydrophobicContact CB-CD1 4.39Å; L296-I309 HydrophobicContact CD2-CD1 3.59Å; L296-F318 HydrophobicContact CD1-CE2 4.41Å; L296-F318 HydrophobicContact CD1-CZ 4.19Å; L296-M320 HydrophobicContact CD1-CE 3.95Å; L296-M320 HydrophobicContact CD2-CE 3.8Å; L296-V326 HydrophobicContact CD2-CG1 3.72Å; L296-L348 HydrophobicContact CD1-CD2 3.66Å; L296-M357 HydrophobicContact CD1-CE 4.32Å; L296-F369 HydrophobicContact CB-CZ 4.06Å |
| 297 | L | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.9 | -34.6 | 170.6 | -70.5 | 173.3 | 0 | 0 | 0 | 112.3 | L282 A283 W293 Q294 L300 S301 W311 F369 I374 | L282-L297 HydrophobicContact CB-CD1 3.76Å; L282-L297 HydrophobicContact CD1-CD1 4.22Å; A283-L297 HydrophobicContact CB-CB 4.13Å; W293-L297 HydrophobicContact CE3-CD1 3.77Å; W293-L297 HydrophobicContact CZ3-CD1 3.85Å; W293-L297 PolarHBondContact O-N 2.66Å; W293-L297 VanDerWaalsContact O-N 3.13Å; Q294-L297 PolarHBondContact O-N 2.84Å; L297-L300 CarbonylContact O-C 3.42Å; L297-L300 PolarHBondContact O-N 2.87Å; L297-S301 WeakPolarHBondContact O-CB 3.44Å; L297-S301 PolarHBondContact O-N 2.99Å; L297-W311 HydrophobicContact CD2-CH2 3.84Å; L297-W311 HydrophobicContact CD2-CZ2 4.2Å; L297-F369 HydrophobicContact CD1-CE1 4.5Å; L297-F369 HydrophobicContact CD2-CD2 3.82Å; L297-F369 HydrophobicContact CD2-CE1 4.21Å; L297-F369 HydrophobicContact CD2-CE2 3.43Å; L297-F369 VanDerWaalsContact CD2-CE2 3.43Å; L297-F369 HydrophobicContact CD2-CG 4.37Å; L297-F369 HydrophobicContact CD2-CZ 3.63Å; L297-F369 HydrophobicContact CG-CE1 4.03Å; L297-F369 HydrophobicContact CG-CE2 4.02Å; L297-F369 HydrophobicContact CG-CZ 3.66Å; L297-I374 HydrophobicContact CD1-CD1 4.44Å |
| 298 | E | 94.2 | Very high | 92.8 | Very high | 35 Ų | 35 | 37.2 Ų | 37.2 | 16% | 0.164 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.3 | -54 | 175.1 | -162.7 | -169.6 | 103.6 | 0 | 0 | 110.6 | A283 I290 Q294 F295 L296 L300 S301 R333 | A283-E298 HydrophobicContact CB-CB 3.82Å; A283-E298 HydrophobicContact CB-CG 4.37Å; I290-E298 WeakPolarHBondContact CD1-OE2 3.3Å; Q294-E298 PolarHBondContact O-N 3.17Å; F295-E298 WeakPolarHBondContact O-CB 3.34Å; F295-E298 PolarHBondContact O-N 3.03Å; L296-E298 VanDerWaalsContact C-N 3.32Å; E298-L300 VanDerWaalsContact C-N 3.32Å; E298-L300 PolarHBondContact O-N 3.28Å; E298-S301 WeakPolarHBondContact O-CB 3.43Å; E298-S301 PolarHBondContact O-N 3Å; E298-S301 VanDerWaalsContact O-N 3.17Å; E298-S301 PolarHBondContact O-OG 3.39Å; E298-R333 IonicContact OE1-CZ 2.67Å; E298-R333 VanDerWaalsContact OE1-CZ 3.23Å; E298-R333 IonicContact OE1-NH1 3.4Å; E298-R333 PolarHBondContact OE1-NH1 3.1Å; E298-R333 IonicContact OE1-NH2 3.58Å; E298-R333 PolarHBondContact OE1-NH2 3.44Å; E298-R333 IonicContact OE2-CZ 2.79Å; E298-R333 IonicContact OE2-NH1 3.27Å; E298-R333 PolarHBondContact OE2-NH1 3.4Å; E298-R333 IonicContact OE2-NH2 2.7Å |
| 299 | L | 95.5 | Very high | 94.3 | Very high | 10 Ų | 10 | 34.6 Ų | 34.6 | 5% | 0.052 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.2 | -41.8 | 176.1 | -65.5 | -179.6 | 0 | 0 | 0 | 112.2 | F295 S301 D302 N305 I309 | F295-L299 HydrophobicContact CD1-CD1 4.5Å; F295-L299 HydrophobicContact CE1-CD1 3.74Å; F295-L299 HydrophobicContact CE1-CG 4.42Å; F295-L299 HydrophobicContact CE2-CD1 4.35Å; F295-L299 HydrophobicContact CE2-CG 4.34Å; F295-L299 HydrophobicContact CZ-CD1 3.65Å; F295-L299 HydrophobicContact CZ-CD2 4.49Å; F295-L299 HydrophobicContact CZ-CG 4.13Å; F295-L299 PolarHBondContact O-N 3.09Å; F295-L299 VanDerWaalsContact O-N 3.11Å; L299-S301 PolarHBondContact O-N 3.32Å; L299-D302 PolarHBondContact O-N 3.35Å; L299-D302 VanDerWaalsContact O-O 3.12Å; L299-N305 HydrophobicContact CB-CB 4.42Å; L299-N305 WeakPolarHBondContact O-CB 3.47Å; L299-N305 PolarHBondContact O-ND2 3.14Å; L299-I309 HydrophobicContact CB-CG2 3.56Å; L299-I309 HydrophobicContact CD1-CG2 4Å; L299-I309 HydrophobicContact CG-CG2 4.44Å |
| 300 | L | 95.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -73.5 | -10 | 179.9 | -78.5 | 166.7 | 0 | 0 | 0 | 114.2 | Y272 L296 L297 E298 D302 I309 T310 W311 F318 F369 | Y272-L300 WeakPolarHBondContact CD1-O 3.43Å; Y272-L300 WeakPolarHBondContact CE1-O 3.16Å; L296-L300 VanDerWaalsContact O-CB 3.24Å; L296-L300 WeakPolarHBondContact O-CB 3.31Å; L296-L300 WeakPolarHBondContact O-CD1 3.37Å; L296-L300 VanDerWaalsContact O-CG 3.28Å; L296-L300 WeakPolarHBondContact O-CG 3.17Å; L296-L300 PolarHBondContact O-N 2.85Å; L297-L300 CarbonylContact O-C 3.42Å; L297-L300 PolarHBondContact O-N 2.87Å; E298-L300 VanDerWaalsContact C-N 3.32Å; E298-L300 PolarHBondContact O-N 3.28Å; L300-D302 VanDerWaalsContact C-N 3.28Å; L300-I309 HydrophobicContact CD1-CD1 4.03Å; L300-I309 HydrophobicContact CD1-CG1 4.33Å; L300-I309 HydrophobicContact CD2-CD1 4.44Å; L300-I309 HydrophobicContact CD2-CG1 3.91Å; L300-I309 HydrophobicContact CG-CD1 3.97Å; L300-I309 HydrophobicContact CG-CG1 3.99Å; L300-I309 HydrophobicContact CG-CG2 4.45Å; L300-T310 VanDerWaalsContact CD2-C 3.43Å; L300-W311 HydrophobicContact CB-CH2 4.32Å; L300-W311 HydrophobicContact CB-CZ2 3.5Å; L300-W311 HydrophobicContact CD1-CH2 3.86Å; L300-W311 HydrophobicContact CD1-CZ2 3.87Å; L300-W311 HydrophobicContact CD1-CZ3 4.2Å; L300-W311 HydrophobicContact CD2-CD2 4.09Å; L300-W311 HydrophobicContact CD2-CG 4.19Å; L300-W311 HydrophobicContact CD2-CZ2 4.42Å; L300-W311 HydrophobicContact CG-CZ2 4.14Å; L300-W311 PolarHBondContact O-NE1 2.93Å; L300-F318 HydrophobicContact CD1-CB 3.74Å; L300-F318 HydrophobicContact CD1-CD1 4.09Å; L300-F318 HydrophobicContact CD1-CD2 3.82Å; L300-F318 HydrophobicContact CD1-CE2 4.4Å; L300-F318 HydrophobicContact CD1-CG 3.63Å; L300-F318 HydrophobicContact CD2-CB 4.1Å; L300-F369 HydrophobicContact CD1-CE2 3.84Å; L300-F369 HydrophobicContact CD1-CZ 4.5Å |
| 301 | S | 91.8 | Very high | 95 | Very high | 37 Ų | 37 | 27.8 Ų | 27.8 | 26% | 0.259 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -19 | 175.8 | 72.2 | 0 | 0 | 0 | 0 | 113.1 | L297 E298 L299 | L297-S301 WeakPolarHBondContact O-CB 3.44Å; L297-S301 PolarHBondContact O-N 2.99Å; E298-S301 WeakPolarHBondContact O-CB 3.43Å; E298-S301 PolarHBondContact O-N 3Å; E298-S301 VanDerWaalsContact O-N 3.17Å; E298-S301 PolarHBondContact O-OG 3.39Å; L299-S301 PolarHBondContact O-N 3.32Å |
| 302 | D | 90.6 | Very high | 94.8 | Very high | 67 Ų | 67 | 26.7 Ų | 26.7 | 36% | 0.358 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -121.8 | 128.6 | -179.5 | 173.7 | 16 | 0 | 0 | 0 | 111.3 | L299 L300 T304 N305 | L299-D302 PolarHBondContact O-N 3.35Å; L299-D302 VanDerWaalsContact O-O 3.12Å; L300-D302 VanDerWaalsContact C-N 3.28Å; D302-T304 VanDerWaalsContact C-N 3.28Å; D302-T304 VanDerWaalsContact CG-OG1 3.27Å; D302-T304 PolarHBondContact O-N 2.89Å; D302-T304 WeakPolarHBondContact OD1-CG2 3.21Å; D302-T304 PolarHBondContact OD1-N 3.13Å; D302-T304 PolarHBondContact OD1-OG1 3.39Å; D302-T304 PolarHBondContact OD2-OG1 3.05Å; D302-N305 PolarHBondContact O-N 3.36Å; D302-N305 PolarHBondContact O-ND2 3.09Å |
| 303 | S | 92.4 | Very high | 94 | Very high | 67 Ų | 67 | 29.4 Ų | 29.4 | 47% | 0.469 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -71.1 | -15.8 | -180 | 60.6 | 0 | 0 | 0 | 0 | 114.1 | Y272 N305 A306 | Y272-S303 VanDerWaalsContact CE1-CA 3.49Å; S303-N305 PolarHBondContact O-N 3.16Å; S303-A306 WeakPolarHBondContact O-CB 3.28Å; S303-A306 PolarHBondContact O-N 3.19Å; S303-A306 VanDerWaalsContact O-N 3.08Å |
| 304 | T | 94.9 | Very high | 93.1 | Very high | 109 Ų | 109 | 33.3 Ų | 33.3 | 67% | 0.669 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -60.6 | -25.3 | 171.4 | 74.2 | 0 | 0 | 0 | 0 | 112.4 | D302 A306 | D302-T304 VanDerWaalsContact C-N 3.28Å; D302-T304 VanDerWaalsContact CG-OG1 3.27Å; D302-T304 PolarHBondContact O-N 2.89Å; D302-T304 WeakPolarHBondContact OD1-CG2 3.21Å; D302-T304 PolarHBondContact OD1-N 3.13Å; D302-T304 PolarHBondContact OD1-OG1 3.39Å; D302-T304 PolarHBondContact OD2-OG1 3.05Å; T304-A306 VanDerWaalsContact C-N 3.28Å; T304-A306 PolarHBondContact O-N 3.37Å |
| 305 | N | 95.1 | Very high | 92.3 | Very high | 20 Ų | 20 | 37.4 Ų | 37.4 | 11% | 0.107 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -80.4 | -3 | 178.8 | -59.8 | -58.5 | 0 | 0 | 0 | 114 | L299 D302 S303 G307 C308 I309 R329 | L299-N305 HydrophobicContact CB-CB 4.42Å; L299-N305 WeakPolarHBondContact O-CB 3.47Å; L299-N305 PolarHBondContact O-ND2 3.14Å; D302-N305 PolarHBondContact O-N 3.36Å; D302-N305 PolarHBondContact O-ND2 3.09Å; S303-N305 PolarHBondContact O-N 3.16Å; N305-G307 PolarHBondContact O-N 2.89Å; N305-C308 PolarHBondContact O-N 2.94Å; N305-I309 CarbonylContact C-O 3.58Å; N305-I309 HydrophobicContact CB-CG2 4.28Å; N305-I309 PolarHBondContact O-N 2.97Å; N305-I309 VanDerWaalsContact O-O 3.08Å; N305-R329 PolarHBondContact OD1-NH1 3.13Å |
| 306 | A | 95.1 | Very high | 92 | Very high | 36 Ų | 36 | 37.3 Ų | 37.3 | 30% | 0.298 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -54.3 | -24.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y272 S303 T304 C308 I309 T321 | Y272-A306 WeakPolarHBondContact OH-CB 3.5Å; S303-A306 WeakPolarHBondContact O-CB 3.28Å; S303-A306 PolarHBondContact O-N 3.19Å; S303-A306 VanDerWaalsContact O-N 3.08Å; T304-A306 VanDerWaalsContact C-N 3.28Å; T304-A306 PolarHBondContact O-N 3.37Å; A306-C308 VanDerWaalsContact C-N 3.26Å; A306-C308 PolarHBondContact O-N 2.86Å; A306-I309 WeakPolarHBondContact CA-O 3.46Å; A306-T321 PolarHBondContact O-OG1 3.08Å |
| 307 | G | 96.3 | Very high | 92 | Very high | 67 Ų | 67 | 39.1 Ų | 39.1 | 69% | 0.691 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -60.1 | -29.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | N305 T321 | N305-G307 PolarHBondContact O-N 2.89Å; G307-T321 PolarHBondContact O-OG1 3.18Å |
| 308 | C | 97.2 | Very high | 92.1 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 3% | 0.027 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | -27.2 | 177 | 68 | 0 | 0 | 0 | 0 | 114.8 | N305 A306 M320 T321 D322 E325 V326 | N305-C308 PolarHBondContact O-N 2.94Å; A306-C308 VanDerWaalsContact C-N 3.26Å; A306-C308 PolarHBondContact O-N 2.86Å; C308-M320 CarbonylContact O-C 3.6Å; C308-M320 WeakPolarHBondContact O-CA 3.43Å; C308-T321 VanDerWaalsContact CA-OG1 3.29Å; C308-T321 WeakPolarHBondContact CA-OG1 3.21Å; C308-T321 PolarHBondContact N-OG1 3.3Å; C308-T321 PolarHBondContact O-N 3.4Å; C308-T321 PolarHBondContact O-OG1 3.46Å; C308-D322 HydrophobicContact CB-CB 3.86Å; C308-D322 PolarHBondContact O-N 2.92Å; C308-D322 VanDerWaalsContact O-N 3.1Å; C308-E325 HydrophobicContact CB-CB 3.96Å; C308-E325 HydrophobicContact CB-CG 3.72Å; C308-V326 HydrophobicContact CB-CG2 4Å; C308-V326 WeakPolarHBondContact O-CG2 3.2Å |
| 309 | I | 98 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 133.5 | 176.8 | -165.4 | 175.4 | 0 | 0 | 0 | 112.3 | Y272 L296 L299 L300 N305 A306 F318 K319 M320 T321 V326 | Y272-I309 PolarHBondContact OH-O 3.35Å; L296-I309 HydrophobicContact CB-CD1 4.39Å; L296-I309 HydrophobicContact CD2-CD1 3.59Å; L299-I309 HydrophobicContact CB-CG2 3.56Å; L299-I309 HydrophobicContact CD1-CG2 4Å; L299-I309 HydrophobicContact CG-CG2 4.44Å; L300-I309 HydrophobicContact CD1-CD1 4.03Å; L300-I309 HydrophobicContact CD1-CG1 4.33Å; L300-I309 HydrophobicContact CD2-CD1 4.44Å; L300-I309 HydrophobicContact CD2-CG1 3.91Å; L300-I309 HydrophobicContact CG-CD1 3.97Å; L300-I309 HydrophobicContact CG-CG1 3.99Å; L300-I309 HydrophobicContact CG-CG2 4.45Å; N305-I309 CarbonylContact C-O 3.58Å; N305-I309 HydrophobicContact CB-CG2 4.28Å; N305-I309 PolarHBondContact O-N 2.97Å; N305-I309 VanDerWaalsContact O-O 3.08Å; A306-I309 WeakPolarHBondContact CA-O 3.46Å; I309-F318 HydrophobicContact CD1-CD2 3.95Å; I309-F318 HydrophobicContact CD1-CE2 3.98Å; I309-F318 HydrophobicContact CG1-CD2 4.07Å; I309-K319 WeakPolarHBondContact CA-O 3.38Å; I309-K319 WeakPolarHBondContact CG1-O 3.29Å; I309-M320 HydrophobicContact CD1-CG 4.24Å; I309-M320 HydrophobicContact CG1-CG 4.21Å; I309-T321 PolarHBondContact N-OG1 3.38Å; I309-V326 HydrophobicContact CB-CG2 3.86Å; I309-V326 HydrophobicContact CG2-CG2 4.4Å |
| 310 | T | 96.4 | Very high | 92.3 | Very high | 21 Ų | 21 | 40.2 Ų | 40.2 | 13% | 0.129 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 150.2 | -174.4 | -166.7 | 0 | 0 | 0 | 0 | 113.5 | Y272 L300 F318 K319 T321 | Y272-T310 VanDerWaalsContact OH-CA 3.31Å; Y272-T310 WeakPolarHBondContact OH-CA 3.34Å; Y272-T310 VanDerWaalsContact OH-CB 3.3Å; Y272-T310 WeakPolarHBondContact OH-CB 3.35Å; Y272-T310 PolarHBondContact OH-OG1 2.98Å; L300-T310 VanDerWaalsContact CD2-C 3.43Å; T310-F318 CarbonylContact O-C 3.43Å; T310-F318 WeakPolarHBondContact O-CA 3.4Å; T310-F318 WeakPolarHBondContact O-CB 3.39Å; T310-K319 HydrophobicContact CG2-CD 4.22Å; T310-K319 VanDerWaalsContact CG2-CE 3.42Å; T310-K319 HydrophobicContact CG2-CG 3.74Å; T310-K319 PolarHBondContact N-O 3.34Å; T310-K319 PolarHBondContact O-N 2.9Å; T310-T321 HydrophobicContact CG2-CG2 4.15Å |
| 311 | W | 95.3 | Very high | 92.4 | Very high | 10 Ų | 10 | 43.4 Ų | 43.4 | 4% | 0.038 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 142.2 | 168.9 | -64.4 | 109.9 | 0 | 0 | 0 | 110.6 | P271 Y272 L275 S279 L297 L300 F318 F369 | P271-W311 HydrophobicContact CB-CB 3.66Å; P271-W311 HydrophobicContact CB-CG 4.26Å; P271-W311 HydrophobicContact CG-CB 3.87Å; Y272-W311 AromaticContact CD1-CD1 3.79Å; Y272-W311 AromaticContact CE1-CD1 3.8Å; L275-W311 HydrophobicContact CB-CD2 4.18Å; L275-W311 HydrophobicContact CB-CZ2 4.13Å; L275-W311 HydrophobicContact CD1-CD2 3.58Å; L275-W311 HydrophobicContact CD1-CE3 3.53Å; L275-W311 HydrophobicContact CD1-CG 4.06Å; L275-W311 HydrophobicContact CD1-CZ3 4.04Å; S279-W311 WeakPolarHBondContact OG-CZ2 3.37Å; L297-W311 HydrophobicContact CD2-CH2 3.84Å; L297-W311 HydrophobicContact CD2-CZ2 4.2Å; L300-W311 HydrophobicContact CB-CH2 4.32Å; L300-W311 HydrophobicContact CB-CZ2 3.5Å; L300-W311 HydrophobicContact CD1-CH2 3.86Å; L300-W311 HydrophobicContact CD1-CZ2 3.87Å; L300-W311 HydrophobicContact CD1-CZ3 4.2Å; L300-W311 HydrophobicContact CD2-CD2 4.09Å; L300-W311 HydrophobicContact CD2-CG 4.19Å; L300-W311 HydrophobicContact CD2-CZ2 4.42Å; L300-W311 HydrophobicContact CG-CZ2 4.14Å; L300-W311 PolarHBondContact O-NE1 2.93Å; W311-F318 HydrophobicContact CE3-CB 3.92Å; W311-F318 HydrophobicContact CZ3-CB 4.12Å; W311-F318 HydrophobicContact CZ3-CD1 4.4Å; W311-F369 AromaticContact CH2-CD2 3.76Å; W311-F369 HydrophobicContact CH2-CD2 3.76Å; W311-F369 AromaticContact CH2-CE2 3.8Å; W311-F369 HydrophobicContact CH2-CE2 3.8Å; W311-F369 AromaticContact CZ3-CD2 3.88Å; W311-F369 HydrophobicContact CZ3-CD2 3.88Å; W311-F369 HydrophobicContact CZ3-CE2 4.16Å |
| 312 | E | 89.2 | Confident | 92.7 | Very high | 57 Ų | 57 | 44.9 Ų | 44.9 | 27% | 0.266 | 28% | 0.284 | S | S | . | . | trans | -150.4 | 135.9 | 176.1 | -171.1 | -165.6 | 100.1 | 0 | 0 | 110.3 | E317 K319 K363 | E312-E317 PolarHBondContact N-O 3.44Å; E312-E317 CarbonylContact O-C 3.35Å; E312-E317 WeakPolarHBondContact O-CB 3.27Å; E312-K319 HydrophobicContact CB-CG 4.43Å; E312-K319 VanDerWaalsContact OE2-CD 3.23Å; E312-K319 WeakPolarHBondContact OE2-CD 3.35Å; E312-K319 WeakPolarHBondContact OE2-CE 3.38Å; E312-K319 IonicContact OE2-NZ 2.69Å; E312-K319 PolarHBondContact OE2-NZ 3.34Å; E312-K363 VanDerWaalsContact OE1-CD 3.31Å; E312-K363 WeakPolarHBondContact OE1-CD 3.33Å; E312-K363 VanDerWaalsContact OE1-CE 3.28Å; E312-K363 WeakPolarHBondContact OE1-CE 3.49Å; E312-K363 IonicContact OE1-NZ 3.67Å; E312-K363 PolarHBondContact OE1-NZ 2.89Å | ||
| 313 | G | 78.9 | Confident | 93.1 | Very high | 60 Ų | 60 | 42.3 Ų | 42.3 | 62% | 0.619 | 27% | 0.271 | S | S | * | . | S | Bend | trans | 85.2 | -129.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 314 | T | 76.6 | Confident | 93.4 | Very high | 82 Ų | 82 | 43.8 Ų | 43.8 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -130.1 | 145.4 | -171.6 | 66.7 | 0 | 0 | 0 | 0 | 113.1 | E317 K368 | T314-E317 PolarHBondContact O-N 2.99Å; T314-K368 PolarHBondContact O-NZ 2.86Å |
| 315 | N | 78.6 | Confident | 93.5 | Very high | 102 Ų | 102 | 40.6 Ų | 40.6 | 55% | 0.545 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 38.4 | 79.7 | 169.8 | -61.5 | 33.7 | 0 | 0 | 0 | 114.1 | E317 K368 | N315-E317 PolarHBondContact O-N 3.08Å; N315-K368 VanDerWaalsContact O-CE 3.3Å; N315-K368 WeakPolarHBondContact O-CE 3.28Å; N315-K368 PolarHBondContact O-NZ 2.84Å; N315-K368 VanDerWaalsContact O-NZ 3.16Å |
| 316 | G | 89.1 | Confident | 93.7 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 5.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | K368 F369 | G316-K368 WeakPolarHBondContact O-CA 3.45Å; G316-F369 PolarHBondContact O-N 2.88Å |
| 317 | E | 95.6 | Very high | 93.8 | Very high | 38 Ų | 38 | 38 Ų | 38 | 18% | 0.178 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 132.3 | 169.9 | -80.2 | 170.1 | -139.2 | 0 | 0 | 111.8 | E312 T314 N315 V360 K363 Y367 K368 | E312-E317 PolarHBondContact N-O 3.44Å; E312-E317 CarbonylContact O-C 3.35Å; E312-E317 WeakPolarHBondContact O-CB 3.27Å; T314-E317 PolarHBondContact O-N 2.99Å; N315-E317 PolarHBondContact O-N 3.08Å; E317-V360 HydrophobicContact CG-CG2 4Å; E317-K363 IonicContact OE2-NZ 2.61Å; E317-Y367 CarbonylContact C-O 3.56Å; E317-Y367 WeakPolarHBondContact CA-O 3.27Å; E317-K368 HydrophobicContact CG-CB 3.82Å; E317-K368 HydrophobicContact CG-CD 3.72Å; E317-K368 HydrophobicContact CG-CG 3.67Å; E317-K368 IonicContact OE1-NZ 3.51Å; E317-K368 PolarHBondContact OE1-NZ 2.99Å |
| 318 | F | 97.2 | Very high | 93.9 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.009 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 163.3 | 178.5 | 71.9 | -87.2 | 0 | 0 | 0 | 111.3 | L296 L300 I309 T310 W311 M320 A366 Y367 F369 | L296-F318 HydrophobicContact CD1-CE2 4.41Å; L296-F318 HydrophobicContact CD1-CZ 4.19Å; L300-F318 HydrophobicContact CD1-CB 3.74Å; L300-F318 HydrophobicContact CD1-CD1 4.09Å; L300-F318 HydrophobicContact CD1-CD2 3.82Å; L300-F318 HydrophobicContact CD1-CE2 4.4Å; L300-F318 HydrophobicContact CD1-CG 3.63Å; L300-F318 HydrophobicContact CD2-CB 4.1Å; I309-F318 HydrophobicContact CD1-CD2 3.95Å; I309-F318 HydrophobicContact CD1-CE2 3.98Å; I309-F318 HydrophobicContact CG1-CD2 4.07Å; T310-F318 CarbonylContact O-C 3.43Å; T310-F318 WeakPolarHBondContact O-CA 3.4Å; T310-F318 WeakPolarHBondContact O-CB 3.39Å; W311-F318 HydrophobicContact CE3-CB 3.92Å; W311-F318 HydrophobicContact CZ3-CB 4.12Å; W311-F318 HydrophobicContact CZ3-CD1 4.4Å; F318-M320 HydrophobicContact CE2-CE 4.08Å; F318-A366 CarbonylContact O-C 3.55Å; F318-A366 VanDerWaalsContact O-CA 3.27Å; F318-A366 WeakPolarHBondContact O-CA 3.21Å; F318-Y367 WeakPolarHBondContact CD1-O 3.22Å; F318-Y367 HydrophobicContact CE2-CD2 4.38Å; F318-Y367 VanDerWaalsContact CZ-CB 3.49Å; F318-Y367 HydrophobicContact CZ-CD2 4.47Å; F318-Y367 HydrophobicContact CZ-CG 4.24Å; F318-Y367 PolarHBondContact N-O 3.1Å; F318-Y367 PolarHBondContact O-N 3.29Å; F318-Y367 VanDerWaalsContact O-O 3.13Å; F318-F369 AromaticContact CD1-CD2 3.61Å; F318-F369 HydrophobicContact CD1-CD2 3.61Å; F318-F369 AromaticContact CD1-CE2 3.44Å; F318-F369 HydrophobicContact CD1-CE2 3.44Å; F318-F369 VanDerWaalsContact CD1-CE2 3.44Å; F318-F369 HydrophobicContact CD1-CZ 4.28Å; F318-F369 HydrophobicContact CE1-CD1 4.46Å; F318-F369 AromaticContact CE1-CD2 3.54Å; F318-F369 HydrophobicContact CE1-CD2 3.54Å; F318-F369 HydrophobicContact CE1-CE1 4.24Å; F318-F369 AromaticContact CE1-CE2 3.23Å; F318-F369 HydrophobicContact CE1-CE2 3.23Å; F318-F369 HydrophobicContact CE1-CG 4.17Å; F318-F369 AromaticContact CE1-CZ 3.64Å; F318-F369 HydrophobicContact CE1-CZ 3.64Å; F318-F369 HydrophobicContact CG-CE2 4.34Å; F318-F369 HydrophobicContact CZ-CE2 4.01Å; F318-F369 HydrophobicContact CZ-CZ 4.03Å |
| 319 | K | 97.1 | Very high | 93.9 | Very high | 62 Ų | 62 | 43.2 Ų | 43.2 | 27% | 0.27 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 153 | 171.1 | 62.9 | 171.6 | 167.6 | -153.4 | 0 | 111.7 | I309 T310 E312 T321 Y365 A366 | I309-K319 WeakPolarHBondContact CA-O 3.38Å; I309-K319 WeakPolarHBondContact CG1-O 3.29Å; T310-K319 HydrophobicContact CG2-CD 4.22Å; T310-K319 VanDerWaalsContact CG2-CE 3.42Å; T310-K319 HydrophobicContact CG2-CG 3.74Å; T310-K319 PolarHBondContact N-O 3.34Å; T310-K319 PolarHBondContact O-N 2.9Å; E312-K319 HydrophobicContact CB-CG 4.43Å; E312-K319 VanDerWaalsContact OE2-CD 3.23Å; E312-K319 WeakPolarHBondContact OE2-CD 3.35Å; E312-K319 WeakPolarHBondContact OE2-CE 3.38Å; E312-K319 IonicContact OE2-NZ 2.69Å; E312-K319 PolarHBondContact OE2-NZ 3.34Å; K319-T321 HydrophobicContact CD-CG2 4.05Å; K319-T321 HydrophobicContact CG-CG2 4.41Å; K319-Y365 WeakPolarHBondContact CA-O 3.17Å; K319-A366 HydrophobicContact CB-CB 4.28Å |
| 320 | M | 98.1 | Very high | 93.9 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.02 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 113.1 | 162.1 | -53.9 | 172.9 | -175.6 | 0 | 0 | 107.8 | L296 C308 I309 F318 P323 V326 Y341 L344 L348 Y365 | L296-M320 HydrophobicContact CD1-CE 3.95Å; L296-M320 HydrophobicContact CD2-CE 3.8Å; C308-M320 CarbonylContact O-C 3.6Å; C308-M320 WeakPolarHBondContact O-CA 3.43Å; I309-M320 HydrophobicContact CD1-CG 4.24Å; I309-M320 HydrophobicContact CG1-CG 4.21Å; F318-M320 HydrophobicContact CE2-CE 4.08Å; M320-P323 HydrophobicContact CB-CB 4.17Å; M320-V326 HydrophobicContact CB-CG2 4.35Å; M320-V326 HydrophobicContact CE-CG1 4.08Å; M320-V326 HydrophobicContact CG-CG1 4.4Å; M320-V326 HydrophobicContact CG-CG2 4.24Å; M320-V326 HydrophobicContact SD-CB 4.29Å; M320-V326 HydrophobicContact SD-CG1 3.89Å; M320-Y341 HydrophobicContact SD-CD2 4.36Å; M320-Y341 HydrophobicContact SD-CE2 4.05Å; M320-L344 HydrophobicContact CE-CD2 3.96Å; M320-L344 HydrophobicContact SD-CD2 4.37Å; M320-L348 HydrophobicContact CE-CD1 3.89Å; M320-Y365 PolarHBondContact N-O 2.73Å; M320-Y365 WeakPolarHBondContact O-CB 3.36Å |
| 321 | T | 97.8 | Very high | 93.9 | Very high | 66 Ų | 66 | 43.6 Ų | 43.6 | 41% | 0.405 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -75.3 | -38.4 | 174.2 | 31.2 | 0 | 0 | 0 | 0 | 110.8 | A306 G307 C308 I309 T310 K319 | A306-T321 PolarHBondContact O-OG1 3.08Å; G307-T321 PolarHBondContact O-OG1 3.18Å; C308-T321 VanDerWaalsContact CA-OG1 3.29Å; C308-T321 WeakPolarHBondContact CA-OG1 3.21Å; C308-T321 PolarHBondContact N-OG1 3.3Å; C308-T321 PolarHBondContact O-N 3.4Å; C308-T321 PolarHBondContact O-OG1 3.46Å; I309-T321 PolarHBondContact N-OG1 3.38Å; T310-T321 HydrophobicContact CG2-CG2 4.15Å; K319-T321 HydrophobicContact CD-CG2 4.05Å; K319-T321 HydrophobicContact CG-CG2 4.41Å |
| 322 | D | 98.1 | Very high | 93.9 | Very high | 69 Ų | 69 | 49.1 Ų | 49.1 | 37% | 0.369 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -121.6 | 94.2 | 166.7 | -172.8 | -23.8 | 0 | 0 | 0 | 108.9 | C308 D324 E325 V326 | C308-D322 HydrophobicContact CB-CB 3.86Å; C308-D322 PolarHBondContact O-N 2.92Å; C308-D322 VanDerWaalsContact O-N 3.1Å; D322-D324 PolarHBondContact O-N 3.46Å; D322-D324 PolarHBondContact OD1-N 3.17Å; D322-E325 HydrophobicContact CB-CB 4.02Å; D322-E325 VanDerWaalsContact CG-CB 3.48Å; D322-E325 PolarHBondContact OD1-N 2.91Å; D322-V326 WeakPolarHBondContact O-CG2 3.24Å; D322-V326 PolarHBondContact O-N 3.34Å |
| 323 | P | 98 | Very high | 94.2 | Very high | 12 Ų | 12 | 50 Ų | 50 | 8% | 0.078 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.9 | -20.3 | -179 | 28 | -34.8 | 0 | 0 | 0 | 113.6 | M320 A327 Y341 Y365 | M320-P323 HydrophobicContact CB-CB 4.17Å; P323-A327 WeakPolarHBondContact O-CB 3.34Å; P323-A327 PolarHBondContact O-N 3.46Å; P323-A327 VanDerWaalsContact O-N 3.15Å; P323-Y341 HydrophobicContact CB-CD2 3.46Å; P323-Y341 VanDerWaalsContact CB-CD2 3.46Å; P323-Y341 HydrophobicContact CB-CE2 3.97Å; P323-Y341 HydrophobicContact CB-CG 3.86Å; P323-Y365 HydrophobicContact CB-CD1 3.89Å; P323-Y365 HydrophobicContact CB-CE1 4.13Å; P323-Y365 HydrophobicContact CB-CG 4.26Å; P323-Y365 HydrophobicContact CG-CD1 3.99Å; P323-Y365 HydrophobicContact CG-CD2 4.24Å; P323-Y365 HydrophobicContact CG-CE1 3.88Å; P323-Y365 HydrophobicContact CG-CE2 4.14Å; P323-Y365 HydrophobicContact CG-CG 4.18Å |
| 324 | D | 98.3 | Very high | 94.8 | Very high | 98 Ų | 98 | 49.5 Ų | 49.5 | 52% | 0.524 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -89 | -35.5 | -177.9 | -72.1 | -51.5 | 0 | 0 | 0 | 111.4 | D322 A327 R328 | D322-D324 PolarHBondContact O-N 3.46Å; D322-D324 PolarHBondContact OD1-N 3.17Å; D324-A327 CarbonylContact O-C 3.47Å; D324-A327 PolarHBondContact O-N 3.4Å; D324-R328 WeakPolarHBondContact O-CB 3.35Å; D324-R328 PolarHBondContact O-N 3.38Å |
| 325 | E | 98.3 | Very high | 95.7 | Very high | 42 Ų | 42 | 50.9 Ų | 50.9 | 20% | 0.196 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.8 | -39.7 | 167.2 | 173.1 | 59.4 | -173.1 | 0 | 0 | 111.7 | C308 D322 A327 R328 R329 | C308-E325 HydrophobicContact CB-CB 3.96Å; C308-E325 HydrophobicContact CB-CG 3.72Å; D322-E325 HydrophobicContact CB-CB 4.02Å; D322-E325 VanDerWaalsContact CG-CB 3.48Å; D322-E325 PolarHBondContact OD1-N 2.91Å; E325-A327 VanDerWaalsContact C-N 3.29Å; E325-A327 PolarHBondContact O-N 2.93Å; E325-R328 PolarHBondContact O-N 3.27Å; E325-R328 IonicContact OE1-CZ 2.89Å; E325-R328 IonicContact OE1-NE 3.96Å; E325-R328 IonicContact OE1-NH2 3.55Å; E325-R328 PolarHBondContact OE1-NH2 2.67Å; E325-R328 IonicContact OE2-CZ 3.79Å; E325-R328 IonicContact OE2-NE 3.23Å; E325-R328 PolarHBondContact OE2-NE 3.45Å; E325-R328 IonicContact OE2-NH2 2.68Å; E325-R328 PolarHBondContact OE2-NH2 2.62Å; E325-R329 WeakPolarHBondContact O-CG 3.41Å; E325-R329 PolarHBondContact O-N 3.01Å; E325-R329 WeakPolarHBondContact OE1-CG 3.28Å; E325-R329 IonicContact OE1-CZ 2.74Å; E325-R329 IonicContact OE1-NE 2.73Å; E325-R329 PolarHBondContact OE1-NE 2.95Å; E325-R329 IonicContact OE1-NH2 3.53Å; E325-R329 PolarHBondContact OE1-NH2 3.27Å |
| 326 | V | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 171.7 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | L296 C308 I309 M320 D322 W330 L344 | L296-V326 HydrophobicContact CD2-CG1 3.72Å; C308-V326 HydrophobicContact CB-CG2 4Å; C308-V326 WeakPolarHBondContact O-CG2 3.2Å; I309-V326 HydrophobicContact CB-CG2 3.86Å; I309-V326 HydrophobicContact CG2-CG2 4.4Å; M320-V326 HydrophobicContact CB-CG2 4.35Å; M320-V326 HydrophobicContact CE-CG1 4.08Å; M320-V326 HydrophobicContact CG-CG1 4.4Å; M320-V326 HydrophobicContact CG-CG2 4.24Å; M320-V326 HydrophobicContact SD-CB 4.29Å; M320-V326 HydrophobicContact SD-CG1 3.89Å; D322-V326 WeakPolarHBondContact O-CG2 3.24Å; D322-V326 PolarHBondContact O-N 3.34Å; V326-W330 WeakPolarHBondContact O-CB 3.24Å; V326-W330 PolarHBondContact O-N 3.46Å; V326-L344 HydrophobicContact CG1-CD1 4.06Å |
| 327 | A | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.1 | -36.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | P323 D324 E325 W330 G331 M339 L344 | P323-A327 WeakPolarHBondContact O-CB 3.34Å; P323-A327 PolarHBondContact O-N 3.46Å; P323-A327 VanDerWaalsContact O-N 3.15Å; D324-A327 CarbonylContact O-C 3.47Å; D324-A327 PolarHBondContact O-N 3.4Å; E325-A327 VanDerWaalsContact C-N 3.29Å; E325-A327 PolarHBondContact O-N 2.93Å; A327-W330 PolarHBondContact O-N 3.45Å; A327-G331 PolarHBondContact O-N 3.08Å; A327-M339 HydrophobicContact CB-CG 4.44Å; A327-M339 WeakPolarHBondContact O-CG 3.49Å; A327-L344 HydrophobicContact CB-CB 4.46Å; A327-L344 HydrophobicContact CB-CD1 4.14Å |
| 328 | R | 98.2 | Very high | 96.7 | Very high | 110 Ų | 110 | 62 Ų | 62 | 42% | 0.415 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.6 | -50.2 | 174.9 | -168.7 | -160.5 | 63.2 | 67.9 | 7 | 110.7 | D324 E325 W330 G331 E332 | D324-R328 WeakPolarHBondContact O-CB 3.35Å; D324-R328 PolarHBondContact O-N 3.38Å; E325-R328 PolarHBondContact O-N 3.27Å; E325-R328 IonicContact OE1-CZ 2.89Å; E325-R328 IonicContact OE1-NE 3.96Å; E325-R328 IonicContact OE1-NH2 3.55Å; E325-R328 PolarHBondContact OE1-NH2 2.67Å; E325-R328 IonicContact OE2-CZ 3.79Å; E325-R328 IonicContact OE2-NE 3.23Å; E325-R328 PolarHBondContact OE2-NE 3.45Å; E325-R328 IonicContact OE2-NH2 2.68Å; E325-R328 PolarHBondContact OE2-NH2 2.62Å; R328-W330 VanDerWaalsContact C-N 3.31Å; R328-W330 PolarHBondContact O-N 2.87Å; R328-G331 CarbonylContact O-C 3.42Å; R328-G331 WeakPolarHBondContact O-CA 3.44Å; R328-G331 PolarHBondContact O-N 3.12Å; R328-G331 VanDerWaalsContact O-N 3.09Å; R328-E332 IonicContact CZ-OE2 3.79Å; R328-E332 IonicContact NH1-OE1 2.72Å; R328-E332 IonicContact NH1-OE2 3.72Å; R328-E332 PolarHBondContact NH1-OE2 3.25Å; R328-E332 IonicContact NH2-OE2 3.88Å; R328-E332 WeakPolarHBondContact O-CB 3.27Å; R328-E332 PolarHBondContact O-N 3.19Å |
| 329 | R | 97.4 | Very high | 96.7 | Very high | 72 Ų | 72 | 63.5 Ų | 63.5 | 27% | 0.272 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.8 | -36.4 | 176.4 | -69.2 | -176.2 | -175.2 | -160 | 5.9 | 112.6 | F295 N305 E325 R333 | F295-R329 HydrophobicContact CE2-CB 4.48Å; F295-R329 HydrophobicContact CZ-CB 3.77Å; N305-R329 PolarHBondContact OD1-NH1 3.13Å; E325-R329 WeakPolarHBondContact O-CG 3.41Å; E325-R329 PolarHBondContact O-N 3.01Å; E325-R329 WeakPolarHBondContact OE1-CG 3.28Å; E325-R329 IonicContact OE1-CZ 2.74Å; E325-R329 IonicContact OE1-NE 2.73Å; E325-R329 PolarHBondContact OE1-NE 2.95Å; E325-R329 IonicContact OE1-NH2 3.53Å; E325-R329 PolarHBondContact OE1-NH2 3.27Å; R329-R333 VanDerWaalsContact O-CB 3.28Å; R329-R333 WeakPolarHBondContact O-CB 3.39Å; R329-R333 PolarHBondContact O-N 3.46Å |
| 330 | W | 96.8 | Very high | 96.8 | Very high | 26 Ų | 26 | 62.9 Ų | 62.9 | 10% | 0.098 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.3 | -37.7 | 172.5 | 177.6 | -123.7 | 0 | 0 | 0 | 112.4 | I290 L292 F295 V326 A327 R328 K334 L344 | I290-W330 HydrophobicContact CG2-CZ3 4.31Å; I290-W330 WeakPolarHBondContact O-CH2 3.33Å; L292-W330 HydrophobicContact CB-CH2 3.9Å; L292-W330 HydrophobicContact CB-CZ2 3.75Å; L292-W330 HydrophobicContact CB-CZ3 4.43Å; L292-W330 HydrophobicContact CD1-CD2 3.76Å; L292-W330 HydrophobicContact CD1-CE3 4.12Å; L292-W330 HydrophobicContact CD1-CG 4.02Å; L292-W330 HydrophobicContact CD1-CZ2 4.33Å; F295-W330 HydrophobicContact CB-CE3 3.9Å; F295-W330 HydrophobicContact CB-CZ3 3.74Å; F295-W330 HydrophobicContact CD1-CB 4.27Å; F295-W330 HydrophobicContact CD1-CD2 4.26Å; F295-W330 AromaticContact CD1-CE3 3.55Å; F295-W330 HydrophobicContact CD1-CE3 3.55Å; F295-W330 HydrophobicContact CD1-CZ3 4.27Å; F295-W330 HydrophobicContact CD2-CE3 4.17Å; F295-W330 HydrophobicContact CE1-CB 3.69Å; F295-W330 HydrophobicContact CE1-CE3 4.09Å; F295-W330 HydrophobicContact CE1-CG 4.44Å; F295-W330 AromaticContact CG-CE3 3.59Å; F295-W330 HydrophobicContact CG-CE3 3.59Å; F295-W330 AromaticContact CG-CZ3 3.96Å; F295-W330 HydrophobicContact CG-CZ3 3.96Å; F295-W330 HydrophobicContact CZ-CB 4.12Å; V326-W330 WeakPolarHBondContact O-CB 3.24Å; V326-W330 PolarHBondContact O-N 3.46Å; A327-W330 PolarHBondContact O-N 3.45Å; R328-W330 VanDerWaalsContact C-N 3.31Å; R328-W330 PolarHBondContact O-N 2.87Å; W330-K334 HydrophobicContact CD2-CG 3.93Å; W330-K334 HydrophobicContact CE3-CD 4.27Å; W330-K334 HydrophobicContact CE3-CG 3.79Å; W330-K334 HydrophobicContact CH2-CD 3.58Å; W330-K334 HydrophobicContact CH2-CG 3.6Å; W330-K334 HydrophobicContact CZ2-CD 4.17Å; W330-K334 HydrophobicContact CZ2-CG 3.73Å; W330-K334 HydrophobicContact CZ3-CD 3.65Å; W330-K334 HydrophobicContact CZ3-CG 3.64Å; W330-K334 WeakPolarHBondContact O-CG 3.39Å; W330-K334 PolarHBondContact O-N 3Å; W330-L344 HydrophobicContact CB-CD1 3.77Å; W330-L344 HydrophobicContact CG-CD1 3.97Å |
| 331 | G | 96.5 | Very high | 96.8 | Very high | 2 Ų | 2 | 64.5 Ų | 64.5 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.6 | -52 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A327 R328 K334 S335 K336 M339 | A327-G331 PolarHBondContact O-N 3.08Å; R328-G331 CarbonylContact O-C 3.42Å; R328-G331 WeakPolarHBondContact O-CA 3.44Å; R328-G331 PolarHBondContact O-N 3.12Å; R328-G331 VanDerWaalsContact O-N 3.09Å; G331-K334 CarbonylContact O-C 3.54Å; G331-K334 PolarHBondContact O-N 3.13Å; G331-S335 PolarHBondContact O-N 3.01Å; G331-K336 WeakPolarHBondContact CA-O 3.44Å; G331-K336 PolarHBondContact O-N 3.33Å; G331-M339 VanDerWaalsContact CA-CB 3.47Å |
| 332 | E | 95.6 | Very high | 96.8 | Very high | 127 Ų | 127 | 66.4 Ų | 66.4 | 59% | 0.593 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -54.1 | -52.7 | 174.1 | 179.9 | 165.6 | -128.9 | 0 | 0 | 111.7 | R328 K334 S335 | R328-E332 IonicContact CZ-OE2 3.79Å; R328-E332 IonicContact NH1-OE1 2.72Å; R328-E332 IonicContact NH1-OE2 3.72Å; R328-E332 PolarHBondContact NH1-OE2 3.25Å; R328-E332 IonicContact NH2-OE2 3.88Å; R328-E332 WeakPolarHBondContact O-CB 3.27Å; R328-E332 PolarHBondContact O-N 3.19Å; E332-K334 PolarHBondContact O-N 3.22Å; E332-S335 PolarHBondContact O-N 3.47Å |
| 333 | R | 94.6 | Very high | 96.8 | Very high | 75 Ų | 75 | 68.6 Ų | 68.6 | 28% | 0.283 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.8 | -22.8 | 178.4 | -175.7 | 57.7 | 64.6 | 84.7 | 5.8 | 114.4 | I290 F295 E298 R329 | I290-R333 HydrophobicContact CG2-CG 3.74Å; F295-R333 HydrophobicContact CD2-CB 4.23Å; F295-R333 HydrophobicContact CD2-CG 3.93Å; F295-R333 HydrophobicContact CE2-CB 4.02Å; F295-R333 HydrophobicContact CE2-CG 4.2Å; E298-R333 IonicContact OE1-CZ 2.67Å; E298-R333 VanDerWaalsContact OE1-CZ 3.23Å; E298-R333 IonicContact OE1-NH1 3.4Å; E298-R333 PolarHBondContact OE1-NH1 3.1Å; E298-R333 IonicContact OE1-NH2 3.58Å; E298-R333 PolarHBondContact OE1-NH2 3.44Å; E298-R333 IonicContact OE2-CZ 2.79Å; E298-R333 IonicContact OE2-NH1 3.27Å; E298-R333 PolarHBondContact OE2-NH1 3.4Å; E298-R333 IonicContact OE2-NH2 2.7Å; R329-R333 VanDerWaalsContact O-CB 3.28Å; R329-R333 WeakPolarHBondContact O-CB 3.39Å; R329-R333 PolarHBondContact O-N 3.46Å |
| 334 | K | 92.9 | Very high | 96.8 | Very high | 49 Ų | 49 | 68 Ų | 68 | 21% | 0.213 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | 14.9 | -177.6 | -53.2 | -60.8 | -73.6 | -170.8 | 0 | 113.5 | G288 Q289 I290 W330 G331 E332 K336 | G288-K334 PolarHBondContact O-NZ 3.39Å; Q289-K334 VanDerWaalsContact C-NZ 3.27Å; Q289-K334 PolarHBondContact O-NZ 2.97Å; I290-K334 HydrophobicContact CG2-CD 4.38Å; I290-K334 PolarHBondContact O-NZ 3.08Å; W330-K334 HydrophobicContact CD2-CG 3.93Å; W330-K334 HydrophobicContact CE3-CD 4.27Å; W330-K334 HydrophobicContact CE3-CG 3.79Å; W330-K334 HydrophobicContact CH2-CD 3.58Å; W330-K334 HydrophobicContact CH2-CG 3.6Å; W330-K334 HydrophobicContact CZ2-CD 4.17Å; W330-K334 HydrophobicContact CZ2-CG 3.73Å; W330-K334 HydrophobicContact CZ3-CD 3.65Å; W330-K334 HydrophobicContact CZ3-CG 3.64Å; W330-K334 WeakPolarHBondContact O-CG 3.39Å; W330-K334 PolarHBondContact O-N 3Å; G331-K334 CarbonylContact O-C 3.54Å; G331-K334 PolarHBondContact O-N 3.13Å; E332-K334 PolarHBondContact O-N 3.22Å; K334-K336 VanDerWaalsContact C-N 3.26Å; K334-K336 HydrophobicContact CB-CD 4.25Å; K334-K336 WeakPolarHBondContact O-CG 3.45Å; K334-K336 PolarHBondContact O-N 3.23Å |
| 335 | S | 94.1 | Very high | 96.8 | Very high | 111 Ų | 111 | 63.4 Ų | 63.4 | 78% | 0.776 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 40.2 | -176.8 | -54 | 0 | 0 | 0 | 0 | 114.4 | G331 E332 P337 | G331-S335 PolarHBondContact O-N 3.01Å; E332-S335 PolarHBondContact O-N 3.47Å; S335-P337 WeakPolarHBondContact O-CD 3.33Å |
| 336 | K | 95.1 | Very high | 96.7 | Very high | 121 Ų | 121 | 66.8 Ų | 66.8 | 53% | 0.526 | 32% | 0.322 | S | S | . | . | trans | -118 | 84.2 | -178.6 | -76.4 | 170.3 | -175.1 | -177 | 0 | 109.8 | G331 K334 N338 M339 | G331-K336 WeakPolarHBondContact CA-O 3.44Å; G331-K336 PolarHBondContact O-N 3.33Å; K334-K336 VanDerWaalsContact C-N 3.26Å; K334-K336 HydrophobicContact CB-CD 4.25Å; K334-K336 WeakPolarHBondContact O-CG 3.45Å; K334-K336 PolarHBondContact O-N 3.23Å; K336-N338 PolarHBondContact O-N 3.37Å; K336-M339 HydrophobicContact CB-CE 4.03Å; K336-M339 HydrophobicContact CD-CE 3.87Å; K336-M339 VanDerWaalsContact O-CB 3.32Å; K336-M339 WeakPolarHBondContact O-CB 3.36Å; K336-M339 PolarHBondContact O-N 3.2Å; K336-M339 VanDerWaalsContact O-N 3.16Å | ||
| 337 | P | 93.1 | Very high | 96.6 | Very high | 119 Ų | 119 | 68.2 Ų | 68.2 | 77% | 0.773 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -31.3 | -175.8 | 24.3 | -34.2 | 0 | 0 | 0 | 112.9 | S335 M339 | S335-P337 WeakPolarHBondContact O-CD 3.33Å; P337-M339 PolarHBondContact O-N 2.97Å; P337-M339 VanDerWaalsContact O-N 3.14Å |
| 338 | N | 96.2 | Very high | 96.5 | Very high | 134 Ų | 134 | 68.1 Ų | 68.1 | 72% | 0.717 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | 31.2 | 177 | -63.2 | -29 | 0 | 0 | 0 | 113.1 | K336 K343 | K336-N338 PolarHBondContact O-N 3.37Å; N338-K343 WeakPolarHBondContact O-CD 3.41Å; N338-K343 PolarHBondContact O-NZ 2.85Å |
| 339 | M | 98.1 | Very high | 96.5 | Very high | 33 Ų | 33 | 68.3 Ų | 68.3 | 16% | 0.163 | 34% | 0.335 | C | S | . | . | trans | -80 | 143.4 | 172.5 | -169.7 | 61.6 | 68.4 | 0 | 0 | 110.3 | A327 G331 K336 P337 K343 | A327-M339 HydrophobicContact CB-CG 4.44Å; A327-M339 WeakPolarHBondContact O-CG 3.49Å; G331-M339 VanDerWaalsContact CA-CB 3.47Å; K336-M339 HydrophobicContact CB-CE 4.03Å; K336-M339 HydrophobicContact CD-CE 3.87Å; K336-M339 VanDerWaalsContact O-CB 3.32Å; K336-M339 WeakPolarHBondContact O-CB 3.36Å; K336-M339 PolarHBondContact O-N 3.2Å; K336-M339 VanDerWaalsContact O-N 3.16Å; P337-M339 PolarHBondContact O-N 2.97Å; P337-M339 VanDerWaalsContact O-N 3.14Å; M339-K343 HydrophobicContact SD-CB 3.8Å | ||
| 340 | N | 98.3 | Very high | 96.4 | Very high | 50 Ų | 50 | 71.6 Ų | 71.6 | 27% | 0.267 | 35% | 0.348 | S | S | . | . | trans | -150.3 | 171.2 | 174.9 | 74.1 | -20.3 | 0 | 0 | 0 | 110.1 | D342 K343 L344 | N340-D342 VanDerWaalsContact C-N 3.28Å; N340-D342 PolarHBondContact ND2-OD2 2.89Å; N340-D342 PolarHBondContact O-N 2.86Å; N340-K343 PolarHBondContact O-N 3.02Å; N340-K343 WeakPolarHBondContact OD1-CB 3.27Å; N340-K343 VanDerWaalsContact OD1-CD 3.27Å; N340-K343 WeakPolarHBondContact OD1-CD 3.37Å; N340-K343 VanDerWaalsContact OD1-CG 3.22Å; N340-K343 WeakPolarHBondContact OD1-CG 3.38Å; N340-K343 PolarHBondContact OD1-N 2.71Å; N340-K343 VanDerWaalsContact OD1-N 3.1Å; N340-L344 PolarHBondContact O-N 3.24Å | ||
| 341 | Y | 98.3 | Very high | 96.5 | Very high | 38 Ų | 38 | 71.7 Ų | 71.7 | 15% | 0.149 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.1 | -32.2 | -177.9 | 177 | -99.2 | 0 | 0 | 0 | 113.8 | M320 P323 K343 L344 S345 Y365 Y367 | M320-Y341 HydrophobicContact SD-CD2 4.36Å; M320-Y341 HydrophobicContact SD-CE2 4.05Å; P323-Y341 HydrophobicContact CB-CD2 3.46Å; P323-Y341 VanDerWaalsContact CB-CD2 3.46Å; P323-Y341 HydrophobicContact CB-CE2 3.97Å; P323-Y341 HydrophobicContact CB-CG 3.86Å; Y341-K343 PolarHBondContact O-N 3.11Å; Y341-L344 PolarHBondContact O-N 3.26Å; Y341-S345 WeakPolarHBondContact O-CB 3.16Å; Y341-S345 PolarHBondContact O-N 3.37Å; Y341-S345 PolarHBondContact O-OG 3.15Å; Y341-Y365 HydrophobicContact CD1-CE1 4.09Å; Y341-Y365 AromaticContact CE1-CD1 3.87Å; Y341-Y365 HydrophobicContact CE1-CD1 3.87Å; Y341-Y365 AromaticContact CE1-CE1 3.68Å; Y341-Y365 HydrophobicContact CE1-CE1 3.68Å; Y341-Y365 AromaticContact CE2-CD1 3.87Å; Y341-Y365 HydrophobicContact CE2-CD1 3.87Å; Y341-Y365 HydrophobicContact CE2-CE1 4.38Å; Y341-Y365 AromaticContact CZ-CD1 3.5Å; Y341-Y365 AromaticContact CZ-CE1 3.84Å; Y341-Y367 PolarHBondContact OH-OH 3.35Å; Y341-Y367 VanDerWaalsContact OH-OH 3.08Å |
| 342 | D | 97.8 | Very high | 96.4 | Very high | 106 Ų | 106 | 74.7 Ų | 74.7 | 57% | 0.567 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.7 | -45.3 | 176.2 | -63 | -62.6 | 0 | 0 | 0 | 112.3 | N340 S345 R346 | N340-D342 VanDerWaalsContact C-N 3.28Å; N340-D342 PolarHBondContact ND2-OD2 2.89Å; N340-D342 PolarHBondContact O-N 2.86Å; D342-S345 PolarHBondContact O-OG 2.87Å; D342-R346 WeakPolarHBondContact O-CB 3.35Å; D342-R346 PolarHBondContact O-N 2.77Å |
| 343 | K | 97.7 | Very high | 96.3 | Very high | 114 Ų | 114 | 75.6 Ų | 75.6 | 50% | 0.496 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.9 | -42.5 | 177.5 | -69.3 | 161.9 | -171.7 | 157.5 | 0 | 111.5 | N338 M339 N340 Y341 R346 A347 | N338-K343 WeakPolarHBondContact O-CD 3.41Å; N338-K343 PolarHBondContact O-NZ 2.85Å; M339-K343 HydrophobicContact SD-CB 3.8Å; N340-K343 PolarHBondContact O-N 3.02Å; N340-K343 WeakPolarHBondContact OD1-CB 3.27Å; N340-K343 VanDerWaalsContact OD1-CD 3.27Å; N340-K343 WeakPolarHBondContact OD1-CD 3.37Å; N340-K343 VanDerWaalsContact OD1-CG 3.22Å; N340-K343 WeakPolarHBondContact OD1-CG 3.38Å; N340-K343 PolarHBondContact OD1-N 2.71Å; N340-K343 VanDerWaalsContact OD1-N 3.1Å; Y341-K343 PolarHBondContact O-N 3.11Å; K343-R346 PolarHBondContact O-N 3.07Å; K343-A347 PolarHBondContact O-N 3Å |
| 344 | L | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.6 | -50.6 | 176.5 | -172.3 | 154.3 | 0 | 0 | 0 | 110.8 | L292 M320 V326 A327 W330 N340 Y341 R346 A347 L348 | L292-L344 HydrophobicContact CD1-CD1 4.09Å; L292-L344 HydrophobicContact CD1-CD2 4.33Å; L292-L344 HydrophobicContact CD1-CG 3.99Å; L292-L344 HydrophobicContact CD2-CD2 4.19Å; L292-L344 HydrophobicContact CD2-CG 4.04Å; M320-L344 HydrophobicContact CE-CD2 3.96Å; M320-L344 HydrophobicContact SD-CD2 4.37Å; V326-L344 HydrophobicContact CG1-CD1 4.06Å; A327-L344 HydrophobicContact CB-CB 4.46Å; A327-L344 HydrophobicContact CB-CD1 4.14Å; W330-L344 HydrophobicContact CB-CD1 3.77Å; W330-L344 HydrophobicContact CG-CD1 3.97Å; N340-L344 PolarHBondContact O-N 3.24Å; Y341-L344 PolarHBondContact O-N 3.26Å; L344-R346 PolarHBondContact O-N 2.97Å; L344-A347 WeakPolarHBondContact O-CA 2.99Å; L344-A347 WeakPolarHBondContact O-CB 3.31Å; L344-A347 PolarHBondContact O-N 3.27Å; L344-L348 HydrophobicContact CD2-CD1 3.72Å; L344-L348 HydrophobicContact CD2-CD2 4.21Å; L344-L348 HydrophobicContact CD2-CG 3.9Å; L344-L348 PolarHBondContact O-N 2.94Å |
| 345 | S | 98 | Very high | 96.2 | Very high | 1 Ų | 1 | 79.8 Ų | 79.8 | 1% | 0.007 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.3 | -25.7 | 178.5 | 71.7 | 0 | 0 | 0 | 0 | 112.6 | Y341 D342 A347 L348 R349 | Y341-S345 WeakPolarHBondContact O-CB 3.16Å; Y341-S345 PolarHBondContact O-N 3.37Å; Y341-S345 PolarHBondContact O-OG 3.15Å; D342-S345 PolarHBondContact O-OG 2.87Å; S345-A347 VanDerWaalsContact C-N 3.27Å; S345-A347 PolarHBondContact O-N 3.5Å; S345-L348 PolarHBondContact O-N 2.98Å; S345-R349 WeakPolarHBondContact O-CG 3.43Å; S345-R349 PolarHBondContact O-N 2.76Å; S345-R349 VanDerWaalsContact O-N 3.12Å; S345-R349 PolarHBondContact O-NH1 3.43Å; S345-R349 PolarHBondContact OG-NH1 3.4Å |
| 346 | R | 97.8 | Very high | 96.3 | Very high | 113 Ų | 113 | 74.5 Ų | 74.5 | 43% | 0.426 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.8 | -32.3 | 171.4 | -176.3 | 61.8 | -167.6 | 93 | -12.3 | 111.8 | D342 K343 L344 Y350 | D342-R346 WeakPolarHBondContact O-CB 3.35Å; D342-R346 PolarHBondContact O-N 2.77Å; K343-R346 PolarHBondContact O-N 3.07Å; L344-R346 PolarHBondContact O-N 2.97Å; R346-Y350 VanDerWaalsContact NH2-CE1 3.25Å; R346-Y350 PolarHBondContact NH2-OH 3.45Å; R346-Y350 WeakPolarHBondContact O-CD2 3.45Å |
| 347 | A | 94.8 | Very high | 96.3 | Very high | 30 Ų | 30 | 68.8 Ų | 68.8 | 25% | 0.248 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -73.3 | -41 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L292 K343 L344 S345 R349 Y350 | L292-A347 HydrophobicContact CD2-CB 3.64Å; K343-A347 PolarHBondContact O-N 3Å; L344-A347 WeakPolarHBondContact O-CA 2.99Å; L344-A347 WeakPolarHBondContact O-CB 3.31Å; L344-A347 PolarHBondContact O-N 3.27Å; S345-A347 VanDerWaalsContact C-N 3.27Å; S345-A347 PolarHBondContact O-N 3.5Å; A347-R349 VanDerWaalsContact C-N 3.25Å; A347-R349 PolarHBondContact O-N 3.23Å; A347-Y350 WeakPolarHBondContact O-CB 3.44Å; A347-Y350 PolarHBondContact O-N 3.37Å |
| 348 | L | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.7 | -38.6 | 174.9 | -57.3 | 179 | 0 | 0 | 0 | 112.5 | L292 L296 M320 L344 S345 Y350 Y351 Y352 M357 Y367 | L292-L348 HydrophobicContact CD2-CD2 3.53Å; L292-L348 HydrophobicContact CD2-CG 4.13Å; L292-L348 HydrophobicContact CG-CD2 3.97Å; L296-L348 HydrophobicContact CD1-CD2 3.66Å; M320-L348 HydrophobicContact CE-CD1 3.89Å; L344-L348 HydrophobicContact CD2-CD1 3.72Å; L344-L348 HydrophobicContact CD2-CD2 4.21Å; L344-L348 HydrophobicContact CD2-CG 3.9Å; L344-L348 PolarHBondContact O-N 2.94Å; S345-L348 PolarHBondContact O-N 2.98Å; L348-Y350 PolarHBondContact O-N 3.49Å; L348-Y351 HydrophobicContact CD2-CD2 4.46Å; L348-Y351 WeakPolarHBondContact O-CB 3.47Å; L348-Y351 PolarHBondContact O-N 3.37Å; L348-Y352 WeakPolarHBondContact O-CD1 3.39Å; L348-Y352 WeakPolarHBondContact O-CE1 3.5Å; L348-M357 HydrophobicContact CB-SD 4.26Å; L348-M357 HydrophobicContact CD2-CE 4.11Å; L348-M357 HydrophobicContact CD2-SD 3.68Å; L348-M357 HydrophobicContact CG-SD 4.47Å; L348-Y367 HydrophobicContact CB-CE1 4.12Å; L348-Y367 HydrophobicContact CD1-CD1 4.38Å; L348-Y367 HydrophobicContact CD1-CD2 4.18Å; L348-Y367 HydrophobicContact CD1-CE1 3.85Å; L348-Y367 HydrophobicContact CD1-CE2 3.63Å; L348-Y367 VanDerWaalsContact CD1-CZ 3.45Å |
| 349 | R | 97.3 | Very high | 96.5 | Very high | 114 Ų | 114 | 64.4 Ų | 64.4 | 43% | 0.43 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -60.5 | -26.5 | 175.5 | -70.5 | 172.9 | -173.2 | 88.9 | -17.3 | 113.8 | S345 A347 Y351 Y352 | S345-R349 WeakPolarHBondContact O-CG 3.43Å; S345-R349 PolarHBondContact O-N 2.76Å; S345-R349 VanDerWaalsContact O-N 3.12Å; S345-R349 PolarHBondContact O-NH1 3.43Å; S345-R349 PolarHBondContact OG-NH1 3.4Å; A347-R349 VanDerWaalsContact C-N 3.25Å; A347-R349 PolarHBondContact O-N 3.23Å; R349-Y351 PolarHBondContact O-N 3.15Å; R349-Y352 HydrophobicContact CB-CE2 4.22Å; R349-Y352 HydrophobicContact CG-CE2 3.97Å |
| 350 | Y | 96.8 | Very high | 96.4 | Very high | 141 Ų | 141 | 63.9 Ų | 63.9 | 55% | 0.553 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -77.6 | -6.4 | 175 | -67.6 | -56.4 | 0 | 0 | 0 | 113.5 | R346 A347 L348 | R346-Y350 VanDerWaalsContact NH2-CE1 3.25Å; R346-Y350 PolarHBondContact NH2-OH 3.45Å; R346-Y350 WeakPolarHBondContact O-CD2 3.45Å; A347-Y350 WeakPolarHBondContact O-CB 3.44Å; A347-Y350 PolarHBondContact O-N 3.37Å; L348-Y350 PolarHBondContact O-N 3.49Å |
| 351 | Y | 97.1 | Very high | 96.2 | Very high | 28 Ų | 28 | 69 Ų | 69 | 11% | 0.11 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -92.9 | -9.3 | 177.8 | -67.4 | -42 | 0 | 0 | 0 | 114.1 | L292 W293 L348 R349 K354 N355 I356 M357 | L292-Y351 HydrophobicContact CB-CE2 4.02Å; L292-Y351 HydrophobicContact CD2-CE2 4.37Å; L292-Y351 HydrophobicContact CG-CE2 4.31Å; L292-Y351 PolarHBondContact N-OH 2.81Å; W293-Y351 HydrophobicContact CB-CD2 4.47Å; W293-Y351 HydrophobicContact CB-CE2 3.99Å; W293-Y351 AromaticContact CD1-CE1 3.85Å; W293-Y351 AromaticContact CD1-CZ 3.71Å; L348-Y351 HydrophobicContact CD2-CD2 4.46Å; L348-Y351 WeakPolarHBondContact O-CB 3.47Å; L348-Y351 PolarHBondContact O-N 3.37Å; R349-Y351 PolarHBondContact O-N 3.15Å; Y351-K354 PolarHBondContact O-N 2.7Å; Y351-N355 PolarHBondContact O-N 2.91Å; Y351-I356 HydrophobicContact CD1-CB 4.16Å; Y351-I356 HydrophobicContact CD1-CD1 3.81Å; Y351-I356 HydrophobicContact CD1-CG2 4.07Å; Y351-I356 HydrophobicContact CD2-CG2 4.44Å; Y351-I356 HydrophobicContact CE1-CD1 4.15Å; Y351-I356 HydrophobicContact CG-CB 4.23Å; Y351-I356 HydrophobicContact CG-CG2 3.99Å; Y351-I356 PolarHBondContact O-N 3.27Å; Y351-I356 VanDerWaalsContact O-N 3.13Å; Y351-M357 CarbonylContact C-O 3.6Å; Y351-M357 HydrophobicContact CD2-CE 3.85Å; Y351-M357 HydrophobicContact CD2-CG 4.19Å; Y351-M357 HydrophobicContact CD2-SD 3.96Å; Y351-M357 HydrophobicContact CE2-CE 4.39Å; Y351-M357 HydrophobicContact CG-CG 4.3Å; Y351-M357 PolarHBondContact O-N 2.72Å |
| 352 | Y | 96.3 | Very high | 96 | Very high | 65 Ų | 65 | 71.7 Ų | 71.7 | 26% | 0.255 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -56.8 | 179.6 | -55.7 | -9.3 | 0 | 0 | 0 | 110.3 | L348 R349 K354 N355 M357 K359 Y367 | L348-Y352 WeakPolarHBondContact O-CD1 3.39Å; L348-Y352 WeakPolarHBondContact O-CE1 3.5Å; R349-Y352 HydrophobicContact CB-CE2 4.22Å; R349-Y352 HydrophobicContact CG-CE2 3.97Å; Y352-K354 PolarHBondContact O-N 3.4Å; Y352-K354 VanDerWaalsContact O-N 3.09Å; Y352-N355 PolarHBondContact O-N 3.02Å; Y352-N355 VanDerWaalsContact O-N 3.13Å; Y352-M357 WeakPolarHBondContact CA-O 3.4Å; Y352-M357 WeakPolarHBondContact CD1-O 3.42Å; Y352-K359 HydrophobicContact CE1-CB 4.35Å; Y352-Y367 HydrophobicContact CE1-CE1 4.31Å |
| 353 | D | 92.8 | Very high | 95.8 | Very high | 145 Ų | 145 | 70.3 Ų | 70.3 | 78% | 0.775 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -5.2 | 179.4 | -42.7 | -37.3 | 0 | 0 | 0 | 113.1 | ||
| 354 | K | 91.1 | Very high | 95.7 | Very high | 120 Ų | 120 | 74 Ų | 74 | 52% | 0.522 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 4.6 | 176.3 | -69.9 | -155.6 | 71.1 | 179.7 | 0 | 113.6 | Y351 Y352 I356 | Y351-K354 PolarHBondContact O-N 2.7Å; Y352-K354 PolarHBondContact O-N 3.4Å; Y352-K354 VanDerWaalsContact O-N 3.09Å; K354-I356 HydrophobicContact CB-CD1 4.1Å; K354-I356 HydrophobicContact CB-CG1 4.39Å; K354-I356 PolarHBondContact O-N 3.4Å |
| 355 | N | 94.6 | Very high | 95.7 | Very high | 92 Ų | 92 | 77.3 Ų | 77.3 | 49% | 0.492 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 23.8 | -177.4 | -63.6 | 86.4 | 0 | 0 | 0 | 114.6 | Y351 Y352 D370 G373 | Y351-N355 PolarHBondContact O-N 2.91Å; Y352-N355 PolarHBondContact O-N 3.02Å; Y352-N355 VanDerWaalsContact O-N 3.13Å; N355-D370 WeakPolarHBondContact O-CB 3.41Å; N355-G373 VanDerWaalsContact O-CA 3.24Å; N355-G373 WeakPolarHBondContact O-CA 3.41Å |
| 356 | I | 95.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 77.4 Ų | 77.4 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -88.4 | -37.4 | 179.2 | -74.8 | 164.5 | 0 | 0 | 0 | 110.5 | W293 Y351 K354 D370 I374 A377 | W293-I356 HydrophobicContact CB-CG2 3.68Å; W293-I356 HydrophobicContact CD2-CG2 4.35Å; W293-I356 HydrophobicContact CG-CG2 3.76Å; Y351-I356 HydrophobicContact CD1-CB 4.16Å; Y351-I356 HydrophobicContact CD1-CD1 3.81Å; Y351-I356 HydrophobicContact CD1-CG2 4.07Å; Y351-I356 HydrophobicContact CD2-CG2 4.44Å; Y351-I356 HydrophobicContact CE1-CD1 4.15Å; Y351-I356 HydrophobicContact CG-CB 4.23Å; Y351-I356 HydrophobicContact CG-CG2 3.99Å; Y351-I356 PolarHBondContact O-N 3.27Å; Y351-I356 VanDerWaalsContact O-N 3.13Å; K354-I356 HydrophobicContact CB-CD1 4.1Å; K354-I356 HydrophobicContact CB-CG1 4.39Å; K354-I356 PolarHBondContact O-N 3.4Å; I356-D370 PolarHBondContact O-N 3.09Å; I356-D370 VanDerWaalsContact O-N 3.07Å; I356-I374 HydrophobicContact CG2-CG1 4.35Å; I356-A377 HydrophobicContact CD1-CB 3.9Å; I356-A377 HydrophobicContact CG1-CB 4.09Å |
| 357 | M | 96.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 160 | 172.2 | 59.9 | 175.1 | 69.4 | 0 | 0 | 111.2 | W293 L296 L348 Y351 Y352 Y367 K368 F369 | W293-M357 HydrophobicContact CB-CE 4.04Å; L296-M357 HydrophobicContact CD1-CE 4.32Å; L348-M357 HydrophobicContact CB-SD 4.26Å; L348-M357 HydrophobicContact CD2-CE 4.11Å; L348-M357 HydrophobicContact CD2-SD 3.68Å; L348-M357 HydrophobicContact CG-SD 4.47Å; Y351-M357 CarbonylContact C-O 3.6Å; Y351-M357 HydrophobicContact CD2-CE 3.85Å; Y351-M357 HydrophobicContact CD2-CG 4.19Å; Y351-M357 HydrophobicContact CD2-SD 3.96Å; Y351-M357 HydrophobicContact CE2-CE 4.39Å; Y351-M357 HydrophobicContact CG-CG 4.3Å; Y351-M357 PolarHBondContact O-N 2.72Å; Y352-M357 WeakPolarHBondContact CA-O 3.4Å; Y352-M357 WeakPolarHBondContact CD1-O 3.42Å; M357-Y367 HydrophobicContact SD-CD1 4.46Å; M357-K368 CarbonylContact C-O 3.58Å; M357-K368 WeakPolarHBondContact CA-O 3.32Å; M357-K368 VanDerWaalsContact CB-O 3.3Å; M357-K368 WeakPolarHBondContact CB-O 3.16Å; M357-F369 HydrophobicContact CB-CD1 4.26Å; M357-F369 HydrophobicContact CE-CD1 3.96Å; M357-F369 HydrophobicContact CE-CE1 3.49Å; M357-F369 VanDerWaalsContact CE-CE1 3.49Å; M357-F369 HydrophobicContact CE-CZ 4.26Å |
| 358 | T | 96.6 | Very high | 95.7 | Very high | 68 Ų | 68 | 73 Ų | 73 | 42% | 0.417 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 165.1 | 171.8 | 56.1 | 0 | 0 | 0 | 0 | 110.6 | Y367 K368 | T358-Y367 CarbonylContact O-C 3.57Å; T358-Y367 WeakPolarHBondContact O-CA 3.39Å; T358-K368 PolarHBondContact N-O 3.44Å; T358-K368 PolarHBondContact O-N 3.21Å |
| 359 | K | 96.4 | Very high | 95.6 | Very high | 93 Ų | 93 | 73.3 Ų | 73.3 | 40% | 0.404 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 136.4 | 172.6 | -174 | -177.8 | 176 | -172 | 0 | 110.1 | Y352 H361 Y367 | Y352-K359 HydrophobicContact CE1-CB 4.35Å; K359-H361 PolarHBondContact O-CD2 2.8Å; K359-H361 PolarHBondContact O-N 2.78Å; K359-Y367 HydrophobicContact CB-CD1 4.37Å; K359-Y367 HydrophobicContact CB-CE1 4.27Å; K359-Y367 HydrophobicContact CG-CE1 4.24Å |
| 360 | V | 96.1 | Very high | 95.5 | Very high | 23 Ų | 23 | 70 Ų | 70 | 14% | 0.139 | 34% | 0.344 | C | S | . | . | trans | -81.3 | 114.2 | 167.8 | -177.1 | 0 | 0 | 0 | 0 | 108.5 | E317 K363 A366 K368 | E317-V360 HydrophobicContact CG-CG2 4Å; V360-K363 HydrophobicContact CG1-CB 4.21Å; V360-K363 HydrophobicContact CG1-CD 3.84Å; V360-K363 HydrophobicContact CG1-CG 4.08Å; V360-A366 HydrophobicContact CB-CB 3.93Å; V360-A366 HydrophobicContact CG2-CB 4.42Å; V360-A366 PolarHBondContact N-O 3.25Å; V360-K368 HydrophobicContact CG2-CB 4.13Å | ||
| 361 | H | 94.5 | Very high | 95.1 | Very high | 158 Ų | 158 | 66.3 Ų | 66.3 | 73% | 0.731 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -74.3 | 156.5 | 177.3 | -73.8 | -112.8 | 0 | 0 | 0 | 110.9 | K359 K363 | K359-H361 PolarHBondContact O-CD2 2.8Å; K359-H361 PolarHBondContact O-N 2.78Å; H361-K363 PolarHBondContact O-N 2.68Å |
| 362 | G | 93.5 | Very high | 94.7 | Very high | 93 Ų | 93 | 71.1 Ų | 71.1 | 96% | 0.959 | 35% | 0.353 | S | S | * | . | S | Bend | trans | 76.3 | -28.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 363 | K | 93.3 | Very high | 94.4 | Very high | 77 Ų | 77 | 68.1 Ų | 68.1 | 34% | 0.335 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -96.4 | 145.8 | 177.2 | -63.1 | -173.1 | -171.9 | 178.3 | 0 | 112.3 | E312 E317 V360 H361 A366 | E312-K363 VanDerWaalsContact OE1-CD 3.31Å; E312-K363 WeakPolarHBondContact OE1-CD 3.33Å; E312-K363 VanDerWaalsContact OE1-CE 3.28Å; E312-K363 WeakPolarHBondContact OE1-CE 3.49Å; E312-K363 IonicContact OE1-NZ 3.67Å; E312-K363 PolarHBondContact OE1-NZ 2.89Å; E317-K363 IonicContact OE2-NZ 2.61Å; V360-K363 HydrophobicContact CG1-CB 4.21Å; V360-K363 HydrophobicContact CG1-CD 3.84Å; V360-K363 HydrophobicContact CG1-CG 4.08Å; H361-K363 PolarHBondContact O-N 2.68Å; K363-A366 HydrophobicContact CB-CB 3.56Å; K363-A366 HydrophobicContact CD-CB 4.16Å |
| 364 | R | 95.9 | Very high | 94.3 | Very high | 192 Ų | 192 | 61.2 Ų | 61.2 | 73% | 0.725 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -81.6 | 140 | 171.2 | -73.4 | -178.1 | 67.3 | -176.4 | 1 | 110.1 | A366 | R364-A366 PolarHBondContact O-N 3Š|
| 365 | Y | 97.8 | Very high | 94.1 | Very high | 69 Ų | 69 | 58 Ų | 58 | 27% | 0.271 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 52.9 | 23 | 174.4 | -47.2 | -67.1 | 0 | 0 | 0 | 115.7 | K319 M320 P323 Y341 | K319-Y365 WeakPolarHBondContact CA-O 3.17Å; M320-Y365 PolarHBondContact N-O 2.73Å; M320-Y365 WeakPolarHBondContact O-CB 3.36Å; P323-Y365 HydrophobicContact CB-CD1 3.89Å; P323-Y365 HydrophobicContact CB-CE1 4.13Å; P323-Y365 HydrophobicContact CB-CG 4.26Å; P323-Y365 HydrophobicContact CG-CD1 3.99Å; P323-Y365 HydrophobicContact CG-CD2 4.24Å; P323-Y365 HydrophobicContact CG-CE1 3.88Å; P323-Y365 HydrophobicContact CG-CE2 4.14Å; P323-Y365 HydrophobicContact CG-CG 4.18Å; Y341-Y365 HydrophobicContact CD1-CE1 4.09Å; Y341-Y365 AromaticContact CE1-CD1 3.87Å; Y341-Y365 HydrophobicContact CE1-CD1 3.87Å; Y341-Y365 AromaticContact CE1-CE1 3.68Å; Y341-Y365 HydrophobicContact CE1-CE1 3.68Å; Y341-Y365 AromaticContact CE2-CD1 3.87Å; Y341-Y365 HydrophobicContact CE2-CD1 3.87Å; Y341-Y365 HydrophobicContact CE2-CE1 4.38Å; Y341-Y365 AromaticContact CZ-CD1 3.5Å; Y341-Y365 AromaticContact CZ-CE1 3.84Å |
| 366 | A | 97.2 | Very high | 93.7 | Very high | 4 Ų | 4 | 60 Ų | 60 | 3% | 0.033 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 140.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F318 K319 V360 K363 R364 | F318-A366 CarbonylContact O-C 3.55Å; F318-A366 VanDerWaalsContact O-CA 3.27Å; F318-A366 WeakPolarHBondContact O-CA 3.21Å; K319-A366 HydrophobicContact CB-CB 4.28Å; V360-A366 HydrophobicContact CB-CB 3.93Å; V360-A366 HydrophobicContact CG2-CB 4.42Å; V360-A366 PolarHBondContact N-O 3.25Å; K363-A366 HydrophobicContact CB-CB 3.56Å; K363-A366 HydrophobicContact CD-CB 4.16Å; R364-A366 PolarHBondContact O-N 3Å |
| 367 | Y | 97.7 | Very high | 93.2 | Very high | 5 Ų | 5 | 61.3 Ų | 61.3 | 2% | 0.02 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 158.9 | -169.2 | -68.6 | -84.1 | 0 | 0 | 0 | 109.7 | E317 F318 Y341 L348 Y352 M357 T358 K359 | E317-Y367 CarbonylContact C-O 3.56Å; E317-Y367 WeakPolarHBondContact CA-O 3.27Å; F318-Y367 WeakPolarHBondContact CD1-O 3.22Å; F318-Y367 HydrophobicContact CE2-CD2 4.38Å; F318-Y367 VanDerWaalsContact CZ-CB 3.49Å; F318-Y367 HydrophobicContact CZ-CD2 4.47Å; F318-Y367 HydrophobicContact CZ-CG 4.24Å; F318-Y367 PolarHBondContact N-O 3.1Å; F318-Y367 PolarHBondContact O-N 3.29Å; F318-Y367 VanDerWaalsContact O-O 3.13Å; Y341-Y367 PolarHBondContact OH-OH 3.35Å; Y341-Y367 VanDerWaalsContact OH-OH 3.08Å; L348-Y367 HydrophobicContact CB-CE1 4.12Å; L348-Y367 HydrophobicContact CD1-CD1 4.38Å; L348-Y367 HydrophobicContact CD1-CD2 4.18Å; L348-Y367 HydrophobicContact CD1-CE1 3.85Å; L348-Y367 HydrophobicContact CD1-CE2 3.63Å; L348-Y367 VanDerWaalsContact CD1-CZ 3.45Å; Y352-Y367 HydrophobicContact CE1-CE1 4.31Å; M357-Y367 HydrophobicContact SD-CD1 4.46Å; T358-Y367 CarbonylContact O-C 3.57Å; T358-Y367 WeakPolarHBondContact O-CA 3.39Å; K359-Y367 HydrophobicContact CB-CD1 4.37Å; K359-Y367 HydrophobicContact CB-CE1 4.27Å; K359-Y367 HydrophobicContact CG-CE1 4.24Å |
| 368 | K | 96.1 | Very high | 92.6 | Very high | 46 Ų | 46 | 64.7 Ų | 64.7 | 20% | 0.2 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 119.8 | 178.4 | -172.8 | 176.4 | -169.2 | 93.4 | 0 | 109.8 | T314 N315 G316 E317 M357 T358 V360 | T314-K368 PolarHBondContact O-NZ 2.86Å; N315-K368 VanDerWaalsContact O-CE 3.3Å; N315-K368 WeakPolarHBondContact O-CE 3.28Å; N315-K368 PolarHBondContact O-NZ 2.84Å; N315-K368 VanDerWaalsContact O-NZ 3.16Å; G316-K368 WeakPolarHBondContact O-CA 3.45Å; E317-K368 HydrophobicContact CG-CB 3.82Å; E317-K368 HydrophobicContact CG-CD 3.72Å; E317-K368 HydrophobicContact CG-CG 3.67Å; E317-K368 IonicContact OE1-NZ 3.51Å; E317-K368 PolarHBondContact OE1-NZ 2.99Å; M357-K368 CarbonylContact C-O 3.58Å; M357-K368 WeakPolarHBondContact CA-O 3.32Å; M357-K368 VanDerWaalsContact CB-O 3.3Å; M357-K368 WeakPolarHBondContact CB-O 3.16Å; T358-K368 PolarHBondContact N-O 3.44Å; T358-K368 PolarHBondContact O-N 3.21Å; V360-K368 HydrophobicContact CG2-CB 4.13Å |
| 369 | F | 96.2 | Very high | 91.7 | Very high | 5 Ų | 5 | 67.4 Ų | 67.4 | 2% | 0.022 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 143.4 | 170 | -70.6 | -71.6 | 0 | 0 | 0 | 110.8 | W293 L296 L297 L300 W311 G316 F318 M357 F371 I374 | W293-F369 HydrophobicContact CB-CE1 4.25Å; L296-F369 HydrophobicContact CB-CZ 4.06Å; L297-F369 HydrophobicContact CD1-CE1 4.5Å; L297-F369 HydrophobicContact CD2-CD2 3.82Å; L297-F369 HydrophobicContact CD2-CE1 4.21Å; L297-F369 HydrophobicContact CD2-CE2 3.43Å; L297-F369 VanDerWaalsContact CD2-CE2 3.43Å; L297-F369 HydrophobicContact CD2-CG 4.37Å; L297-F369 HydrophobicContact CD2-CZ 3.63Å; L297-F369 HydrophobicContact CG-CE1 4.03Å; L297-F369 HydrophobicContact CG-CE2 4.02Å; L297-F369 HydrophobicContact CG-CZ 3.66Å; L300-F369 HydrophobicContact CD1-CE2 3.84Å; L300-F369 HydrophobicContact CD1-CZ 4.5Å; W311-F369 AromaticContact CH2-CD2 3.76Å; W311-F369 HydrophobicContact CH2-CD2 3.76Å; W311-F369 AromaticContact CH2-CE2 3.8Å; W311-F369 HydrophobicContact CH2-CE2 3.8Å; W311-F369 AromaticContact CZ3-CD2 3.88Å; W311-F369 HydrophobicContact CZ3-CD2 3.88Å; W311-F369 HydrophobicContact CZ3-CE2 4.16Å; G316-F369 PolarHBondContact O-N 2.88Å; F318-F369 AromaticContact CD1-CD2 3.61Å; F318-F369 HydrophobicContact CD1-CD2 3.61Å; F318-F369 AromaticContact CD1-CE2 3.44Å; F318-F369 HydrophobicContact CD1-CE2 3.44Å; F318-F369 VanDerWaalsContact CD1-CE2 3.44Å; F318-F369 HydrophobicContact CD1-CZ 4.28Å; F318-F369 HydrophobicContact CE1-CD1 4.46Å; F318-F369 AromaticContact CE1-CD2 3.54Å; F318-F369 HydrophobicContact CE1-CD2 3.54Å; F318-F369 HydrophobicContact CE1-CE1 4.24Å; F318-F369 AromaticContact CE1-CE2 3.23Å; F318-F369 HydrophobicContact CE1-CE2 3.23Å; F318-F369 HydrophobicContact CE1-CG 4.17Å; F318-F369 AromaticContact CE1-CZ 3.64Å; F318-F369 HydrophobicContact CE1-CZ 3.64Å; F318-F369 HydrophobicContact CG-CE2 4.34Å; F318-F369 HydrophobicContact CZ-CE2 4.01Å; F318-F369 HydrophobicContact CZ-CZ 4.03Å; M357-F369 HydrophobicContact CB-CD1 4.26Å; M357-F369 HydrophobicContact CE-CD1 3.96Å; M357-F369 HydrophobicContact CE-CE1 3.49Å; M357-F369 VanDerWaalsContact CE-CE1 3.49Å; M357-F369 HydrophobicContact CE-CZ 4.26Å; F369-F371 HydrophobicContact CB-CZ 4.47Å; F369-I374 HydrophobicContact CB-CD1 3.85Å; F369-I374 HydrophobicContact CD1-CD1 3.73Å; F369-I374 HydrophobicContact CG-CD1 4.07Å |
| 370 | D | 94.3 | Very high | 90.3 | Very high | 46 Ų | 46 | 68.4 Ų | 68.4 | 25% | 0.246 | 36% | 0.361 | C | S | . | . | trans | -109.3 | 107.7 | 166.7 | 175.2 | 9.3 | 0 | 0 | 0 | 108.3 | N355 I356 H372 G373 I374 | N355-D370 WeakPolarHBondContact O-CB 3.41Å; I356-D370 PolarHBondContact O-N 3.09Å; I356-D370 VanDerWaalsContact O-N 3.07Å; D370-H372 PolarHBondContact O-N 3.18Å; D370-H372 IonicContact OD1-CE1 2.6Å; D370-H372 IonicContact OD1-CG 2.69Å; D370-H372 PolarHBondContact OD1-N 2.95Å; D370-H372 VanDerWaalsContact OD1-N 3.17Å; D370-H372 IonicContact OD1-ND1 3.78Å; D370-H372 PolarHBondContact OD1-ND1 2.92Å; D370-G373 PolarHBondContact O-N 3.21Å; D370-I374 WeakPolarHBondContact O-CG1 3.43Å; D370-I374 PolarHBondContact O-N 3.07Å; D370-I374 VanDerWaalsContact O-N 3.08Å | ||
| 371 | F | 89 | Confident | 88.1 | Confident | 62 Ų | 62 | 74.6 Ų | 74.6 | 27% | 0.272 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.9 | -21.1 | -173.2 | -67.5 | -76.4 | 0 | 0 | 0 | 113.1 | T278 L282 F369 I374 A375 | T278-F371 HydrophobicContact CG2-CE1 4.46Å; L282-F371 HydrophobicContact CD1-CD1 4.04Å; L282-F371 HydrophobicContact CD1-CE1 4.01Å; F369-F371 HydrophobicContact CB-CZ 4.47Å; F371-I374 HydrophobicContact CD1-CD1 4.17Å; F371-A375 WeakPolarHBondContact O-CB 3.46Å; F371-A375 PolarHBondContact O-N 2.79Å |
| 372 | H | 88.8 | Confident | 85.7 | Confident | 129 Ų | 129 | 71.9 Ų | 71.9 | 60% | 0.597 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -71.4 | -47.3 | 177 | -47 | 88.9 | 0 | 0 | 0 | 110.8 | D370 I374 A375 Q376 | D370-H372 PolarHBondContact O-N 3.18Å; D370-H372 IonicContact OD1-CE1 2.6Å; D370-H372 IonicContact OD1-CG 2.69Å; D370-H372 PolarHBondContact OD1-N 2.95Å; D370-H372 VanDerWaalsContact OD1-N 3.17Å; D370-H372 IonicContact OD1-ND1 3.78Å; D370-H372 PolarHBondContact OD1-ND1 2.92Å; H372-I374 VanDerWaalsContact C-N 3.33Å; H372-A375 PolarHBondContact O-N 2.75Å; H372-Q376 WeakPolarHBondContact O-CG 3.22Å; H372-Q376 PolarHBondContact O-N 3.3Å |
| 373 | G | 89.4 | Confident | 83.3 | Confident | 2 Ų | 2 | 73.8 Ų | 73.8 | 2% | 0.021 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -72.1 | -24.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | N355 D370 A377 | N355-G373 VanDerWaalsContact O-CA 3.24Å; N355-G373 WeakPolarHBondContact O-CA 3.41Å; D370-G373 PolarHBondContact O-N 3.21Å; G373-A377 WeakPolarHBondContact O-CB 3.38Å; G373-A377 PolarHBondContact O-N 2.74Å |
| 374 | I | 90.2 | Very high | 80.6 | Confident | 1 Ų | 1 | 78.5 Ų | 78.5 | 1% | 0.005 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.2 | -46.4 | 165.8 | -69.6 | 167 | 0 | 0 | 0 | 111.1 | L282 W293 L297 I356 F369 D370 F371 H372 Q376 A377 L378 | L282-I374 HydrophobicContact CD1-CG2 4.33Å; L282-I374 HydrophobicContact CD2-CG2 4.06Å; W293-I374 HydrophobicContact CE3-CG1 4.34Å; W293-I374 HydrophobicContact CE3-CG2 4.32Å; W293-I374 HydrophobicContact CH2-CG2 3.94Å; W293-I374 HydrophobicContact CZ3-CG1 4.45Å; W293-I374 HydrophobicContact CZ3-CG2 3.62Å; L297-I374 HydrophobicContact CD1-CD1 4.44Å; I356-I374 HydrophobicContact CG2-CG1 4.35Å; F369-I374 HydrophobicContact CB-CD1 3.85Å; F369-I374 HydrophobicContact CD1-CD1 3.73Å; F369-I374 HydrophobicContact CG-CD1 4.07Å; D370-I374 WeakPolarHBondContact O-CG1 3.43Å; D370-I374 PolarHBondContact O-N 3.07Å; D370-I374 VanDerWaalsContact O-N 3.08Å; F371-I374 HydrophobicContact CD1-CD1 4.17Å; H372-I374 VanDerWaalsContact C-N 3.33Å; I374-Q376 PolarHBondContact O-N 3.05Å; I374-A377 CarbonylContact O-C 3.5Å; I374-A377 PolarHBondContact O-N 2.72Å; I374-A377 VanDerWaalsContact O-N 3.08Å; I374-L378 HydrophobicContact CG2-CD1 4.13Å; I374-L378 PolarHBondContact O-N 3.11Å |
| 375 | A | 86.9 | Confident | 77.9 | Confident | 52 Ų | 52 | 73.9 Ų | 73.9 | 43% | 0.43 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.1 | -33.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F371 H372 Q379 | F371-A375 WeakPolarHBondContact O-CB 3.46Å; F371-A375 PolarHBondContact O-N 2.79Å; H372-A375 PolarHBondContact O-N 2.75Å; A375-Q379 PolarHBondContact O-NE2 3.11Å |
| 376 | Q | 87 | Confident | 75.2 | Confident | 133 Ų | 133 | 76.5 Ų | 76.5 | 62% | 0.621 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -69.7 | -43.6 | 169.4 | -67.4 | 175.6 | 15.8 | 0 | 0 | 112.3 | H372 I374 L378 Q379 | H372-Q376 WeakPolarHBondContact O-CG 3.22Å; H372-Q376 PolarHBondContact O-N 3.3Å; I374-Q376 PolarHBondContact O-N 3.05Å; Q376-L378 PolarHBondContact O-N 3.14Å; Q376-Q379 WeakPolarHBondContact O-CB 3.48Å; Q376-Q379 PolarHBondContact O-N 3.16Å |
| 377 | A | 84.2 | Confident | 72.3 | Confident | 30 Ų | 30 | 84.3 Ų | 84.3 | 25% | 0.248 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -69.7 | -9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | W293 I356 G373 I374 | W293-A377 HydrophobicContact CZ2-CB 4.36Å; I356-A377 HydrophobicContact CD1-CB 3.9Å; I356-A377 HydrophobicContact CG1-CB 4.09Å; G373-A377 WeakPolarHBondContact O-CB 3.38Å; G373-A377 PolarHBondContact O-N 2.74Å; I374-A377 CarbonylContact O-C 3.5Å; I374-A377 PolarHBondContact O-N 2.72Å; I374-A377 VanDerWaalsContact O-N 3.08Å |
| 378 | L | 83.3 | Confident | 69.4 | Low | 70 Ų | 70 | 94.3 Ų | 94.3 | 37% | 0.366 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -11.4 | 169.8 | -77.6 | 170.6 | 0 | 0 | 0 | 113.7 | L282 W293 I374 Q376 | L282-L378 HydrophobicContact CD2-CD1 3.41Å; L282-L378 VanDerWaalsContact CD2-CD1 3.41Å; W293-L378 HydrophobicContact CH2-CD1 4.43Å; W293-L378 HydrophobicContact CH2-CD2 3.86Å; W293-L378 HydrophobicContact CH2-CG 3.9Å; W293-L378 HydrophobicContact CZ2-CD2 4.46Å; I374-L378 HydrophobicContact CG2-CD1 4.13Å; I374-L378 PolarHBondContact O-N 3.11Å; Q376-L378 PolarHBondContact O-N 3.14Å |
| 379 | Q | 78.6 | Confident | 66.4 | Low | 125 Ų | 125 | 101.9 Ų | 101.9 | 58% | 0.584 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -67.4 | 139.4 | 175.4 | -63.2 | -56.1 | -47.9 | 0 | 0 | 110.5 | A375 Q376 H381 | A375-Q379 PolarHBondContact O-NE2 3.11Å; Q376-Q379 WeakPolarHBondContact O-CB 3.48Å; Q376-Q379 PolarHBondContact O-N 3.16Å; Q379-H381 PolarHBondContact O-N 3.25Å |
| 380 | P | 65.6 | Low | 63.5 | Low | 115 Ų | 115 | 110.8 Ų | 110.8 | 75% | 0.747 | 57% | 0.571 | S | S | * | * | trans | -68.8 | 100.7 | 171.5 | 29 | -32.7 | 0 | 0 | 0 | 108.9 | ||||
| 381 | H | 50.8 | Low | 60.8 | Low | 152 Ų | 152 | 114 Ų | 114 | 70% | 0.704 | 59% | 0.594 | S | S | * | * | trans | -57.1 | 129.5 | 166.1 | -75.2 | -58 | 0 | 0 | 0 | 108.7 | Q379 | Q379-H381 PolarHBondContact O-N 3.25Š| ||
| 382 | P | 43.8 | Very low | 58.3 | Low | 101 Ų | 101 | 116.4 Ų | 116.4 | 66% | 0.656 | 62% | 0.619 | S | S | * | * | trans | -59 | 147 | 169.6 | 27.2 | -34 | 0 | 0 | 0 | 108.9 | E384 | P382-E384 PolarHBondContact O-N 3.45Š| ||
| 383 | T | 43.1 | Very low | 56 | Low | 134 Ų | 134 | 117.6 Ų | 117.6 | 82% | 0.822 | 63% | 0.63 | S | S | * | * | trans | -74.2 | 78.8 | -178.8 | 52.5 | 0 | 0 | 0 | 0 | 110.6 | S385 | T383-S385 PolarHBondContact O-N 2.74Š| ||
| 384 | E | 37.2 | Very low | 53.5 | Low | 175 Ų | 175 | 125.7 Ų | 125.7 | 82% | 0.818 | 67% | 0.672 | S | S | * | * | trans | -55.7 | 99.7 | 162.8 | -80.3 | -67.9 | 131.6 | 0 | 0 | 108.2 | P382 S386 | P382-E384 PolarHBondContact O-N 3.45Å; E384-S386 PolarHBondContact O-N 3.26Å | ||
| 385 | S | 38.2 | Very low | 51.1 | Low | 95 Ų | 95 | 130.4 Ų | 130.4 | 66% | 0.664 | 71% | 0.71 | S | S | * | * | trans | -57.9 | 134.3 | -176.7 | -66.1 | 0 | 0 | 0 | 0 | 110.7 | T383 M387 | T383-S385 PolarHBondContact O-N 2.74Å; S385-M387 PolarHBondContact O-N 3.19Å | ||
| 386 | S | 40.8 | Very low | 48.7 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 87% | 0.874 | 73% | 0.728 | S | S | * | * | trans | -70.1 | 46.7 | 167.4 | -58.2 | 0 | 0 | 0 | 0 | 112.4 | E384 | E384-S386 PolarHBondContact O-N 3.26Š| ||
| 387 | M | 36.9 | Very low | 46.5 | Very low | 168 Ų | 168 | 137 Ų | 137 | 83% | 0.828 | 73% | 0.733 | S | S | * | * | trans | -79.3 | 118.6 | 178.6 | -174.1 | 164.3 | 162.3 | 0 | 0 | 108.5 | S385 K389 | S385-M387 PolarHBondContact O-N 3.19Å; M387-K389 PolarHBondContact O-N 3.25Å | ||
| 388 | Y | 37.7 | Very low | 44.4 | Very low | 215 Ų | 215 | 140.8 Ų | 140.8 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | trans | -49.5 | 119.9 | -169.5 | -82.9 | -104.3 | 0 | 0 | 0 | 113.1 | Y390 | Y388-Y390 PolarHBondContact O-N 2.87Š| ||
| 389 | K | 33.5 | Very low | 41.9 | Very low | 204 Ų | 204 | 143.1 Ų | 143.1 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | trans | -72.9 | 79.5 | 170.6 | -171.6 | 173.5 | -177.9 | 174.4 | 0 | 110.2 | M387 | M387-K389 PolarHBondContact O-N 3.25Š| ||
| 390 | Y | 33.4 | Very low | 39.7 | Very low | 193 Ų | 193 | 148.5 Ų | 148.5 | 76% | 0.757 | 79% | 0.793 | S | S | * | * | trans | -64.9 | 130.3 | 169.5 | -129 | -86.2 | 0 | 0 | 0 | 109.4 | Y388 S392 | Y388-Y390 PolarHBondContact O-N 2.87Å; Y390-S392 PolarHBondContact O-N 3.2Å | ||
| 391 | P | 37.8 | Very low | 38.4 | Very low | 113 Ų | 113 | 152 Ų | 152 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | -75.5 | 108.7 | 175.9 | -14 | 29.8 | 0 | 0 | 0 | 110.6 | ||||
| 392 | S | 36.2 | Very low | 37.5 | Very low | 113 Ų | 113 | 149.1 Ų | 149.1 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | -100.4 | 74.3 | 178 | -64 | 0 | 0 | 0 | 0 | 111.2 | Y390 | Y390-S392 PolarHBondContact O-N 3.2Š| ||
| 393 | D | 42 | Very low | 36.9 | Very low | 154 Ų | 154 | 153.2 Ų | 153.2 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | -122.1 | 99.9 | 175.6 | -99 | -53.4 | 0 | 0 | 0 | 111.2 | ||||
| 394 | L | 35.8 | Very low | 36.5 | Very low | 172 Ų | 172 | 153.9 Ų | 153.9 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | trans | -161.5 | 105.3 | 160.8 | -125.3 | 159.9 | 0 | 0 | 0 | 110.6 | ||||
| 395 | A | 40.2 | Very low | 36.3 | Very low | 99 Ų | 99 | 152.9 Ų | 152.9 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -108.2 | 102 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 396 | Y | 37.4 | Very low | 36.1 | Very low | 207 Ų | 207 | 157 Ų | 157 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | -161.1 | 139.3 | 164 | -135.3 | -122.8 | 0 | 0 | 0 | 105.3 | ||||
| 397 | V | 40.1 | Very low | 35.9 | Very low | 118 Ų | 118 | 157 Ų | 157 | 72% | 0.715 | 80% | 0.802 | S | S | * | * | cis | -147.3 | 160.9 | 35.8 | -149.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 398 | P | 40.6 | Very low | 36.1 | Very low | 108 Ų | 108 | 155.9 Ų | 155.9 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | trans | -72.8 | 156.4 | -173.4 | -21.7 | 35.6 | 0 | 0 | 0 | 116.7 | ||||
| 399 | S | 29.9 | Very low | 36 | Very low | 120 Ų | 120 | 155.6 Ų | 155.6 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | -69.2 | 136.6 | 177 | -51.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 400 | Y | 32 | Very low | 36.1 | Very low | 237 Ų | 237 | 152.1 Ų | 152.1 | 93% | 0.929 | 80% | 0.798 | S | S | * | * | trans | -113.8 | 150.5 | 156.2 | -86.5 | -88.7 | 0 | 0 | 0 | 110.4 | ||||
| 401 | H | 39.7 | Very low | 36.4 | Very low | 189 Ų | 189 | 147.3 Ų | 147.3 | 88% | 0.875 | 79% | 0.793 | S | S | * | * | trans | -136 | 122 | -164.8 | -176.4 | 31.8 | 0 | 0 | 0 | 109.8 | ||||
| 402 | A | 30.7 | Very low | 37 | Very low | 92 Ų | 92 | 148 Ų | 148 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | 177.3 | 149.4 | 148.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 403 | H | 31.5 | Very low | 37 | Very low | 186 Ų | 186 | 150.6 Ų | 150.6 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | 77.4 | 165.1 | 148.5 | -126.4 | 68.2 | 0 | 0 | 0 | 121.8 | ||||
| 404 | Q | 34.3 | Very low | 38.1 | Very low | 149 Ų | 149 | 148.9 Ų | 148.9 | 70% | 0.696 | 79% | 0.794 | S | S | * | * | trans | -141.1 | 174.1 | -157.2 | -65.3 | -174.4 | -7.1 | 0 | 0 | 114 | ||||
| 405 | Q | 33.9 | Very low | 39.1 | Very low | 154 Ų | 154 | 146.6 Ų | 146.6 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | 95.7 | 99.5 | 147.7 | -51.6 | -148.9 | 8.7 | 0 | 0 | 121.4 | ||||
| 406 | K | 33.3 | Very low | 38.7 | Very low | 182 Ų | 182 | 147.1 Ų | 147.1 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | 82.5 | 146.5 | 111.5 | -154.8 | -163.9 | 177.3 | -176 | 0 | 120.7 | |||||
| 407 | V | 36.8 | Very low | 38.6 | Very low | 124 Ų | 124 | 145.5 Ų | 145.5 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | 96.1 | 139.3 | 162.5 | -43.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 408 | N | 40.5 | Very low | 39.1 | Very low | 144 Ų | 144 | 144.6 Ų | 144.6 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -88.7 | 166.1 | 174.5 | -53.5 | -3 | 0 | 0 | 0 | 110.9 | ||||
| 409 | F | 35.6 | Very low | 38.8 | Very low | 210 Ų | 210 | 145.6 Ų | 145.6 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | -166.7 | -169.8 | 120 | -108.3 | -69.2 | 0 | 0 | 0 | 111.7 | |||||
| 410 | V | 37.2 | Very low | 39.1 | Very low | 131 Ų | 131 | 145.6 Ų | 145.6 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | -116.3 | 156.1 | -152.5 | 176.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 411 | S | 38.5 | Very low | 39.3 | Very low | 92 Ų | 92 | 138.8 Ų | 138.8 | 64% | 0.643 | 77% | 0.771 | S | S | * | * | trans | -63 | 171 | 177.4 | -39.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 412 | P | 51.8 | Low | 39.1 | Very low | 126 Ų | 126 | 134.1 Ų | 134.1 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | -138.2 | 175.5 | 114.6 | 33.8 | -19 | 0 | 0 | 0 | 115.7 | |||||
| 413 | H | 35.9 | Very low | 39.4 | Very low | 169 Ų | 169 | 136.5 Ų | 136.5 | 78% | 0.782 | 76% | 0.76 | S | S | * | * | trans | -105.2 | -148.5 | -178.6 | -43.2 | -101.4 | 0 | 0 | 0 | 109.9 | ||||
| 414 | P | 64.1 | Low | 39.6 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | cis | -109.8 | -150.1 | -38.5 | 30.6 | -8.6 | 0 | 0 | 0 | 108 | ||||
| 415 | P | 56.2 | Low | 39.7 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | cis | -109.5 | -158.7 | -15.5 | 40.2 | -22.5 | 0 | 0 | 0 | 110.8 | ||||
| 416 | S | 32.9 | Very low | 39.5 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | cis | -149.1 | -171.3 | 13.2 | 66.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 417 | M | 35.9 | Very low | 40.6 | Very low | 173 Ų | 173 | 130.5 Ų | 130.5 | 85% | 0.852 | 76% | 0.758 | S | S | * | * | trans | -145.6 | -174.1 | -173.9 | -69.3 | -137.3 | -55.3 | 0 | 0 | 107.5 | ||||
| 418 | P | 49.2 | Very low | 40.3 | Very low | 100 Ų | 100 | 131.1 Ų | 131.1 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | cis | -152.8 | 176.4 | 18.5 | 42.1 | -18.8 | 0 | 0 | 0 | 121 | ||||
| 419 | V | 35.4 | Very low | 40.1 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | 53.7 | 160.9 | 150.4 | -68.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 420 | T | 35.3 | Very low | 41.1 | Very low | 121 Ų | 121 | 123.7 Ų | 123.7 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | cis | -168.6 | 164.4 | -13.1 | 27 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 421 | S | 35.6 | Very low | 40.8 | Very low | 94 Ų | 94 | 125.8 Ų | 125.8 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | cis | -176.1 | 164.1 | -31.6 | 60.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 422 | S | 37.1 | Very low | 40.6 | Very low | 91 Ų | 91 | 131.4 Ų | 131.4 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | trans | 50.6 | 109.4 | 145.6 | 62.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 423 | N | 36.3 | Very low | 39.6 | Very low | 141 Ų | 141 | 129.8 Ų | 129.8 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | 63.8 | 158.2 | 128.5 | -64.6 | 28.3 | 0 | 0 | 0 | 124.3 | |||||
| 424 | F | 35.9 | Very low | 39.6 | Very low | 167 Ų | 167 | 126.9 Ų | 126.9 | 73% | 0.732 | 74% | 0.742 | S | S | * | * | trans | 101.4 | 133.1 | 148.4 | -78.8 | -73.8 | 0 | 0 | 0 | 121.1 | ||||
| 425 | F | 37.1 | Very low | 38.9 | Very low | 196 Ų | 196 | 126.9 Ų | 126.9 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | trans | 68.4 | 145.1 | 169.2 | -55.7 | -70.4 | 0 | 0 | 0 | 120.4 | ||||
| 426 | G | 28.6 | Very low | 37.9 | Very low | 65 Ų | 65 | 127.6 Ų | 127.6 | 67% | 0.67 | 75% | 0.745 | S | S | * | * | trans | -127.4 | -156.3 | 151.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 427 | P | 57.1 | Low | 37.8 | Very low | 118 Ų | 118 | 126.5 Ų | 126.5 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | cis | -126.9 | -142.3 | -1 | 42.3 | -25.6 | 0 | 0 | 0 | 111.7 | ||||
| 428 | T | 30 | Very low | 37.7 | Very low | 137 Ų | 137 | 121.5 Ų | 121.5 | 84% | 0.84 | 74% | 0.743 | S | S | * | * | trans | 95 | 148.5 | 166.8 | 76.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 429 | A | 37.2 | Very low | 36.8 | Very low | 86 Ų | 86 | 125.1 Ų | 125.1 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | -117.7 | -176 | 166.3 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 430 | P | 55.3 | Low | 36.8 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | cis | -147 | -144 | 16.1 | 43.8 | -20.7 | 0 | 0 | 0 | 114.1 | ||||
| 431 | Y | 31.5 | Very low | 37.6 | Very low | 174 Ų | 174 | 129.8 Ų | 129.8 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | trans | 110.7 | 141.1 | 142.4 | -124.9 | -64 | 0 | 0 | 0 | 119.7 | ||||
| 432 | W | 34.8 | Very low | 37.5 | Very low | 211 Ų | 211 | 132.1 Ų | 132.1 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | trans | 77.6 | 152 | 167.4 | -52.4 | 97.2 | 0 | 0 | 0 | 118.2 | ||||
| 433 | S | 30.6 | Very low | 37.3 | Very low | 91 Ų | 91 | 135.9 Ų | 135.9 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | 178.8 | 163 | -74.1 | 57.1 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 434 | S | 35.4 | Very low | 37.2 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | -27.2 | 159.8 | 173.9 | -43.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 435 | P | 48.7 | Very low | 37.4 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | -145.8 | 128.8 | 100.8 | 35.9 | -19.4 | 0 | 0 | 0 | 118.7 | |||||
| 436 | T | 35.4 | Very low | 38.1 | Very low | 139 Ų | 139 | 129.3 Ų | 129.3 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | 29.5 | 137.8 | 135.9 | 59.1 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 437 | G | 31.1 | Very low | 38.4 | Very low | 86 Ų | 86 | 136.7 Ų | 136.7 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | trans | 107.8 | 148.2 | 142.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 438 | G | 33.2 | Very low | 37.4 | Very low | 68 Ų | 68 | 139 Ų | 139 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | cis | 160.9 | 173.7 | -5.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 439 | I | 32.1 | Very low | 38.5 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | trans | 92.1 | 134.1 | 167.5 | -53.3 | 164.8 | 0 | 0 | 0 | 118.2 | ||||
| 440 | Y | 34.6 | Very low | 38.4 | Very low | 217 Ų | 217 | 140.1 Ų | 140.1 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | trans | -116.6 | 169.9 | 169.6 | -81.5 | -91.3 | 0 | 0 | 0 | 110.4 | ||||
| 441 | P | 52.3 | Low | 37.4 | Very low | 130 Ų | 130 | 140.4 Ų | 140.4 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | -138.9 | -178 | 107.3 | 34.1 | -18.6 | 0 | 0 | 0 | 115.3 | |||||
| 442 | N | 32.6 | Very low | 37.7 | Very low | 143 Ų | 143 | 139.8 Ų | 139.8 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | trans | -123 | 153.3 | -162.5 | 171.9 | 5.2 | 0 | 0 | 0 | 111.7 | ||||
| 443 | H | 33.7 | Very low | 38 | Very low | 171 Ų | 171 | 135.9 Ų | 135.9 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | -149.6 | 127.8 | 157.3 | -119.5 | 64.1 | 0 | 0 | 0 | 117.7 | ||||
| 444 | S | 33.9 | Very low | 38.9 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | 65 | 139 | 148 | 55 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 445 | V | 40 | Very low | 39.1 | Very low | 138 Ų | 138 | 137.2 Ų | 137.2 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | -125.6 | 154.6 | -179.7 | -151.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 446 | P | 51.6 | Low | 38.7 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | -152.3 | 177.3 | 114.5 | 37.8 | -20.7 | 0 | 0 | 0 | 116 | |||||
| 447 | R | 35.5 | Very low | 39.1 | Very low | 221 Ų | 221 | 140.3 Ų | 140.3 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | cis | -174.1 | 92.4 | -40.8 | -173.2 | 177.7 | -177.5 | -170.7 | -0.2 | 112.4 | ||||
| 448 | H | 35.9 | Very low | 39.4 | Very low | 165 Ų | 165 | 140 Ų | 140 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | trans | 62.7 | 174.3 | 165.3 | -69 | -82.4 | 0 | 0 | 0 | 118.5 | ||||
| 449 | P | 52.8 | Low | 40 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | cis | -111.9 | 166.8 | -13.9 | 25.7 | -5 | 0 | 0 | 0 | 112.8 | ||||
| 450 | N | 35.2 | Very low | 40.7 | Very low | 129 Ų | 129 | 142.9 Ų | 142.9 | 69% | 0.69 | 78% | 0.784 | S | S | * | * | cis | 87.2 | 106.3 | 27.1 | -165.8 | 79.7 | 0 | 0 | 0 | 116.9 | ||||
| 451 | S | 34.7 | Very low | 41.5 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -162.9 | 170.1 | 149.3 | -158 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 452 | H | 37.1 | Very low | 41 | Very low | 160 Ų | 160 | 147.2 Ų | 147.2 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -115.4 | 171 | -166.5 | -87.4 | -117 | 0 | 0 | 0 | 115.4 | ||||
| 453 | V | 41.7 | Very low | 41.4 | Very low | 129 Ų | 129 | 147.4 Ų | 147.4 | 78% | 0.782 | 80% | 0.796 | S | S | * | * | trans | -46.9 | 158.6 | 163.3 | -58.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 454 | P | 49.3 | Very low | 41.9 | Very low | 127 Ų | 127 | 146.1 Ų | 146.1 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | -150.3 | 178.9 | 80.1 | 40.6 | -21.1 | 0 | 0 | 0 | 116.8 | |||||
| 455 | S | 39.2 | Very low | 42.3 | Very low | 102 Ų | 102 | 148.5 Ų | 148.5 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | trans | -97.8 | 158.5 | 175.1 | 38.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 456 | H | 41.3 | Very low | 42.5 | Very low | 163 Ų | 163 | 149.2 Ų | 149.2 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | 175.1 | 151.7 | 128.2 | -110.7 | -99.2 | 0 | 0 | 0 | 115.7 | |||||
| 457 | L | 42.9 | Very low | 41.9 | Very low | 159 Ų | 159 | 150.9 Ų | 150.9 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | 61.4 | 145.4 | 148.1 | -81.2 | 157.3 | 0 | 0 | 0 | 122.8 | ||||
| 458 | G | 38 | Very low | 42.3 | Very low | 80 Ų | 80 | 145.9 Ų | 145.9 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | 171.4 | 77.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 459 | S | 45.4 | Very low | 42.8 | Very low | 96 Ų | 96 | 144.5 Ų | 144.5 | 67% | 0.671 | 80% | 0.798 | S | S | * | * | trans | -117.1 | -168.2 | 176.6 | -165.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 460 | Y | 46.6 | Very low | 42 | Very low | 207 Ų | 207 | 146.6 Ų | 146.6 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | 76.7 | 136.1 | -170.7 | -48.3 | -73.4 | 0 | 0 | 0 | 113.6 | ||||
| 461 | Y | 52.2 | Low | 42.6 | Very low | 289 Ų | 289 | 148.2 Ų | 148.2 | 100% | 1.133 | 81% | 0.81 | S | S | * | * | cis | -118.7 | 0 | 5.3 | -112.1 | -83 | 0 | 0 | 0 | 112.6 |
Retrieved 461 of 461 residues in 917.6 ms
(Link to these results)