| 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 | 32 | Very low | 29.8 | Very low | 240 Ų | 240 | 158 Ų | 158 | 100% | 1.182 | 85% | 0.846 | S | S | * | * | 0 | 113.8 | 0 | -62.2 | 172.1 | -173.8 | 0 | 0 | 106.2 | |||||
| 2 | H | 34.2 | Very low | 29.7 | Very low | 172 Ų | 172 | 160.1 Ų | 160.1 | 80% | 0.796 | 84% | 0.842 | S | S | * | * | 75.9 | 105.3 | 86.4 | -139.7 | -64.3 | 0 | 0 | 0 | 112 | |||||
| 3 | L | 28.8 | Very low | 29.8 | Very low | 152 Ų | 152 | 160.1 Ų | 160.1 | 80% | 0.796 | 84% | 0.842 | S | S | * | * | 172.5 | 118.3 | 129 | -91.2 | 163.9 | 0 | 0 | 0 | 113.7 | |||||
| 4 | S | 30.7 | Very low | 29.8 | Very low | 106 Ų | 106 | 155.1 Ų | 155.1 | 74% | 0.741 | 84% | 0.835 | S | S | * | * | trans | 24.7 | 128.8 | 136.4 | -45.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 5 | T | 29.3 | Very low | 29.7 | Very low | 152 Ų | 152 | 151.7 Ų | 151.7 | 93% | 0.933 | 84% | 0.837 | S | S | * | * | trans | -93 | 152.9 | 163.8 | 48 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 6 | L | 29.2 | Very low | 29.9 | Very low | 164 Ų | 164 | 153.9 Ų | 153.9 | 86% | 0.859 | 84% | 0.839 | S | S | * | * | trans | -122.3 | 118.2 | -169.8 | -173.6 | 72.7 | 0 | 0 | 0 | 113.8 | ||||
| 7 | K | 31.6 | Very low | 29.8 | Very low | 178 Ų | 178 | 154.1 Ų | 154.1 | 77% | 0.774 | 84% | 0.839 | S | S | * | * | trans | 29.5 | 110 | 139.4 | -143.2 | 177.2 | -168.8 | 176.8 | 0 | 120.3 | ||||
| 8 | R | 28.2 | Very low | 29.9 | Very low | 219 Ų | 219 | 148.8 Ų | 148.8 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | trans | 47.9 | 132.1 | 142.4 | -79.1 | -173.7 | 173.3 | 155.9 | 0.4 | 122 | ||||
| 9 | S | 27.5 | Very low | 30 | Very low | 119 Ų | 119 | 145.2 Ų | 145.2 | 83% | 0.832 | 83% | 0.826 | S | S | * | * | -141.4 | 162.9 | 126.3 | 59.8 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 10 | N | 27.4 | Very low | 30 | Very low | 133 Ų | 133 | 148.9 Ų | 148.9 | 71% | 0.711 | 83% | 0.826 | S | S | * | * | trans | -110.7 | 152.9 | -176.1 | -73.7 | 1 | 0 | 0 | 0 | 111.9 | ||||
| 11 | A | 29.3 | Very low | 30 | Very low | 103 Ų | 103 | 150.4 Ų | 150.4 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | trans | -128.3 | 163.9 | 155.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 12 | F | 28.3 | Very low | 30 | Very low | 183 Ų | 183 | 147.8 Ų | 147.8 | 80% | 0.803 | 81% | 0.812 | S | S | * | * | trans | -139.5 | 158.8 | -167.6 | -130.1 | -86.5 | 0 | 0 | 0 | 112.2 | ||||
| 13 | L | 31.3 | Very low | 29.9 | Very low | 160 Ų | 160 | 144.4 Ų | 144.4 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | trans | 75.6 | 146.4 | 177.1 | -50.6 | 173.2 | 0 | 0 | 0 | 116.9 | ||||
| 14 | A | 29.1 | Very low | 29.9 | Very low | 91 Ų | 91 | 146.4 Ų | 146.4 | 75% | 0.752 | 82% | 0.819 | S | S | * | * | cis | -172.1 | 125.3 | -29.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 15 | A | 28.5 | Very low | 29.9 | Very low | 104 Ų | 104 | 145.8 Ų | 145.8 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | trans | -168 | 157.9 | 154.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 16 | Q | 33.1 | Very low | 30.1 | Very low | 186 Ų | 186 | 145.1 Ų | 145.1 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | trans | -104.3 | 176.6 | 178.8 | -57.4 | 165 | -27.8 | 0 | 0 | 109 | ||||
| 17 | D | 28.8 | Very low | 30.3 | Very low | 158 Ų | 158 | 143.9 Ų | 143.9 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | cis | -158.7 | 176.7 | 13.3 | -164.3 | 15.6 | 0 | 0 | 0 | 111.5 | ||||
| 18 | G | 30.4 | Very low | 30.3 | Very low | 59 Ų | 59 | 143.3 Ų | 143.3 | 61% | 0.608 | 82% | 0.82 | S | S | * | * | trans | 104.2 | 115.6 | 147.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 19 | G | 31.3 | Very low | 30.5 | Very low | 79 Ų | 79 | 135.9 Ų | 135.9 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | trans | -64.2 | 141.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 20 | R | 31.2 | Very low | 30.7 | Very low | 219 Ų | 219 | 137.9 Ų | 137.9 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | 89.2 | 107.5 | 58.3 | -169.5 | -177.2 | -161 | -82.1 | 2.1 | 111.4 | |||||
| 21 | E | 29.2 | Very low | 31.4 | Very low | 181 Ų | 181 | 140.4 Ų | 140.4 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | trans | -70.3 | 159.9 | 178.4 | -56 | 155.4 | 137.4 | 0 | 0 | 112.3 | ||||
| 22 | E | 31.6 | Very low | 31.9 | Very low | 186 Ų | 186 | 142.9 Ų | 142.9 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | trans | -138.8 | 149.1 | 155 | -154 | 158.7 | -112.9 | 0 | 0 | 108.9 | ||||
| 23 | A | 32.1 | Very low | 33 | Very low | 101 Ų | 101 | 143.7 Ų | 143.7 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | -92.5 | 150.7 | -149.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 24 | E | 29.3 | Very low | 33.4 | Very low | 194 Ų | 194 | 141.5 Ų | 141.5 | 91% | 0.907 | 81% | 0.81 | S | S | * | * | trans | -74.8 | 145.5 | 172.2 | -58.7 | -174.6 | 118.3 | 0 | 0 | 113 | ||||
| 25 | A | 31.4 | Very low | 34.2 | Very low | 92 Ų | 92 | 143.3 Ų | 143.3 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | trans | -153.1 | 71.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 26 | T | 32.9 | Very low | 35.3 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 85% | 0.847 | 81% | 0.81 | S | S | * | * | trans | 26.9 | 110.6 | 154.1 | 56.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 27 | V | 32.7 | Very low | 36.4 | Very low | 138 Ų | 138 | 143.1 Ų | 143.1 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | trans | -89 | 124.6 | 163.2 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 28 | N | 32.5 | Very low | 37.4 | Very low | 167 Ų | 167 | 139.5 Ų | 139.5 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | -95.7 | 120.3 | 157.5 | -86.7 | -21 | 0 | 0 | 0 | 108.6 | ||||
| 29 | G | 31.5 | Very low | 38.1 | Very low | 62 Ų | 62 | 142.5 Ų | 142.5 | 64% | 0.639 | 81% | 0.806 | S | S | * | * | trans | -99.3 | 108.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 30 | E | 32 | Very low | 38.7 | Very low | 161 Ų | 161 | 147.7 Ų | 147.7 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | -83 | 128.3 | 163.1 | -72.4 | -165.7 | 102.3 | 0 | 0 | 111 | H32 | E30-H32 PolarHBondContact O-N 2.96Å; E30-H32 IonicContact OE2-CE1 2.74Å | ||
| 31 | H | 42.7 | Very low | 39.2 | Very low | 187 Ų | 187 | 143 Ų | 143 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | trans | -81.5 | 78.6 | 179.1 | -66.2 | -64.3 | 0 | 0 | 0 | 112.2 | K33 | H31-K33 PolarHBondContact O-N 3.09Š| ||
| 32 | H | 39.1 | Very low | 40.3 | Very low | 155 Ų | 155 | 142.3 Ų | 142.3 | 72% | 0.718 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69 | 123.6 | 170.7 | -64.3 | -34.4 | 0 | 0 | 0 | 111.7 | E30 S34 | E30-H32 PolarHBondContact O-N 2.96Å; E30-H32 IonicContact OE2-CE1 2.74Å; H32-S34 PolarHBondContact O-N 3.24Å |
| 33 | K | 52.1 | Low | 40.9 | Very low | 200 Ų | 200 | 143.1 Ų | 143.1 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 116.9 | 176 | -61.9 | 170.6 | -176.4 | 173.3 | 0 | 109.4 | H31 | H31-K33 PolarHBondContact O-N 3.09Š|
| 34 | S | 39.4 | Very low | 41.6 | Very low | 114 Ų | 114 | 145.5 Ų | 145.5 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -77 | 135.1 | 175.3 | 46.1 | 0 | 0 | 0 | 0 | 111.5 | H32 | H32-S34 PolarHBondContact O-N 3.24Š|
| 35 | V | 47.2 | Very low | 42.6 | Very low | 129 Ų | 129 | 142.8 Ų | 142.8 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | trans | -104.6 | 112.8 | 173.5 | 177.2 | 0 | 0 | 0 | 0 | 108.7 | I37 | V35-I37 PolarHBondContact O-N 3.11Š| ||
| 36 | T | 50.2 | Low | 43.3 | Very low | 136 Ų | 136 | 144.8 Ų | 144.8 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 117.3 | 178 | -54 | 0 | 0 | 0 | 0 | 110.4 | ||
| 37 | I | 57.6 | Low | 44.2 | Very low | 149 Ų | 149 | 146.6 Ų | 146.6 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 135.3 | 170.8 | -61.1 | -179.6 | 0 | 0 | 0 | 108.8 | V35 | V35-I37 PolarHBondContact O-N 3.11Š|
| 38 | A | 48.3 | Very low | 44.9 | Very low | 83 Ų | 83 | 148 Ų | 148 | 69% | 0.686 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 143.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 39 | P | 45.5 | Very low | 45.4 | Very low | 121 Ų | 121 | 149.7 Ų | 149.7 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 143.6 | -179.9 | 28.7 | -35.1 | 0 | 0 | 0 | 112 | T41 | P39-T41 PolarHBondContact O-N 2.98Š|
| 40 | K | 43.4 | Very low | 46.6 | Very low | 188 Ų | 188 | 153.1 Ų | 153.1 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 121.8 | 175 | -71.1 | -178 | 176.9 | 179.3 | 0 | 110.6 | H42 | K40-H42 PolarHBondContact O-CD2 2.93Å; K40-H42 PolarHBondContact O-N 2.73Å |
| 41 | T | 42.3 | Very low | 47.4 | Very low | 121 Ų | 121 | 154.3 Ų | 154.3 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | -77.2 | 107.9 | 176.7 | 49.9 | 0 | 0 | 0 | 0 | 111.2 | P39 Y43 | P39-T41 PolarHBondContact O-N 2.98Å; T41-Y43 VanDerWaalsContact C-N 3.29Å; T41-Y43 PolarHBondContact O-N 3.01Å | ||
| 42 | H | 51.6 | Low | 47.8 | Very low | 166 Ų | 166 | 156.5 Ų | 156.5 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -79.8 | 69.4 | 177.8 | -75.1 | -95.3 | 0 | 0 | 0 | 112.3 | K40 | K40-H42 PolarHBondContact O-CD2 2.93Å; K40-H42 PolarHBondContact O-N 2.73Å | ||
| 43 | Y | 45 | Very low | 48.8 | Very low | 203 Ų | 203 | 158.1 Ų | 158.1 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | -130.1 | 64 | 178.4 | -75.6 | -73.2 | 0 | 0 | 0 | 112.8 | T41 | T41-Y43 VanDerWaalsContact C-N 3.29Å; T41-Y43 PolarHBondContact O-N 3.01Å | ||
| 44 | M | 46.6 | Very low | 48.7 | Very low | 152 Ų | 152 | 153.7 Ų | 153.7 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | -155.1 | 63.4 | 163.8 | -86.2 | -57.3 | 136.1 | 0 | 0 | 109.7 | ||||
| 45 | T | 51.5 | Low | 49.2 | Very low | 137 Ų | 137 | 156.1 Ų | 156.1 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | trans | -105 | -7.9 | -176.3 | -25 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 46 | D | 46 | Very low | 48.9 | Very low | 134 Ų | 134 | 159 Ų | 159 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | trans | -123.5 | 74 | -173.8 | -163.5 | 3.2 | 0 | 0 | 0 | 111.5 | H48 | D46-H48 IonicContact OD1-CD2 3.21Š| ||
| 47 | R | 50.5 | Low | 48.6 | Very low | 175 Ų | 175 | 159.1 Ų | 159.1 | 66% | 0.66 | 79% | 0.787 | S | S | * | * | trans | -138.4 | 90.5 | 168.2 | -74.9 | -167.7 | 177.8 | -165.3 | -1.3 | 109.4 | Y49 | R47-Y49 HydrophobicContact CB-CE2 4.38Å; R47-Y49 WeakPolarHBondContact O-CD2 3.34Å; R47-Y49 PolarHBondContact O-N 3.23Å | ||
| 48 | H | 48.2 | Very low | 48.4 | Very low | 168 Ų | 168 | 161.2 Ų | 161.2 | 78% | 0.778 | 79% | 0.793 | S | S | * | * | trans | -66.6 | 96.7 | 171.9 | -69.8 | -66.4 | 0 | 0 | 0 | 111 | D46 V50 | D46-H48 IonicContact OD1-CD2 3.21Å; H48-V50 PolarHBondContact O-N 3.1Å | ||
| 49 | Y | 42.3 | Very low | 48.5 | Very low | 203 Ų | 203 | 164.8 Ų | 164.8 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | trans | -68 | 98.8 | 170.8 | -74 | -84.9 | 0 | 0 | 0 | 110.4 | R47 Q51 | R47-Y49 HydrophobicContact CB-CE2 4.38Å; R47-Y49 WeakPolarHBondContact O-CD2 3.34Å; R47-Y49 PolarHBondContact O-N 3.23Å; Y49-Q51 PolarHBondContact O-N 3.12Å; Y49-Q51 VanDerWaalsContact O-N 3.08Å | ||
| 50 | V | 56.8 | Low | 48.3 | Very low | 133 Ų | 133 | 166.5 Ų | 166.5 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | trans | -68.8 | 105.4 | 170.6 | -179.9 | 0 | 0 | 0 | 0 | 108.8 | H48 R52 | H48-V50 PolarHBondContact O-N 3.1Å; V50-R52 PolarHBondContact O-N 3Å; V50-R52 VanDerWaalsContact O-N 3.13Å | ||
| 51 | Q | 48.6 | Very low | 48.1 | Very low | 186 Ų | 186 | 169.2 Ų | 169.2 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | trans | -67.5 | 109.1 | -177.8 | -159.5 | 173.9 | 28.3 | 0 | 0 | 110.1 | Y49 | Y49-Q51 PolarHBondContact O-N 3.12Å; Y49-Q51 VanDerWaalsContact O-N 3.08Å | ||
| 52 | R | 52.4 | Low | 47.8 | Very low | 234 Ų | 234 | 169.1 Ų | 169.1 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 133.3 | 176.5 | -72.2 | -176.9 | 172 | -179.3 | -3.1 | 109.8 | V50 | V50-R52 PolarHBondContact O-N 3Å; V50-R52 VanDerWaalsContact O-N 3.13Å |
| 53 | K | 59 | Low | 47.2 | Very low | 188 Ų | 188 | 166 Ų | 166 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 133.5 | 172.5 | -66.6 | -176.7 | 178.2 | -178 | 0 | 109.5 | ||
| 54 | P | 51.1 | Low | 47 | Very low | 107 Ų | 107 | 164.7 Ų | 164.7 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 133.1 | 171.5 | 28.2 | -33.2 | 0 | 0 | 0 | 109.9 | F56 | P54-F56 PolarHBondContact O-N 3.48Å; P54-F56 VanDerWaalsContact O-N 3.09Å |
| 55 | L | 49 | Very low | 46.6 | Very low | 166 Ų | 166 | 164.4 Ų | 164.4 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -86.2 | 47.6 | 179.5 | -68.6 | 174.9 | 0 | 0 | 0 | 112 | ||
| 56 | F | 41.8 | Very low | 45.9 | Very low | 190 Ų | 190 | 167.5 Ų | 167.5 | 83% | 0.833 | 80% | 0.802 | S | S | * | * | trans | -133.3 | 115.3 | 176 | -63.3 | -69.8 | 0 | 0 | 0 | 109.5 | P54 | P54-F56 PolarHBondContact O-N 3.48Å; P54-F56 VanDerWaalsContact O-N 3.09Å | ||
| 57 | T | 44 | Very low | 45.4 | Very low | 138 Ų | 138 | 171.4 Ų | 171.4 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | trans | -71.1 | 155.7 | 170.3 | 43.1 | 0 | 0 | 0 | 0 | 110.8 | E59 | T57-E59 PolarHBondContact O-N 3.3Š| ||
| 58 | E | 51.7 | Low | 44.5 | Very low | 192 Ų | 192 | 170.6 Ų | 170.6 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -81 | 77.6 | -168 | -171.9 | 159.2 | -156.6 | 0 | 0 | 113 | ||
| 59 | E | 50.7 | Low | 44 | Very low | 159 Ų | 159 | 168.3 Ų | 168.3 | 74% | 0.743 | 82% | 0.82 | S | S | * | * | trans | -144.5 | 152.2 | 167.7 | -147 | 161.1 | -161 | 0 | 0 | 111.5 | T57 | T57-E59 PolarHBondContact O-N 3.3Š| ||
| 60 | H | 41.8 | Very low | 43.3 | Very low | 156 Ų | 156 | 167.9 Ų | 167.9 | 72% | 0.722 | 83% | 0.825 | S | S | * | * | trans | 59.2 | 60.9 | 178.2 | -56.3 | -69.5 | 0 | 0 | 0 | 118.5 | V62 | H60-V62 HydrophobicContact CB-CG2 4.49Å; H60-V62 PolarHBondContact O-N 3.08Å; H60-V62 VanDerWaalsContact O-N 3.12Å | ||
| 61 | R | 39 | Very low | 42 | Very low | 245 Ų | 245 | 170.3 Ų | 170.3 | 93% | 0.925 | 83% | 0.83 | S | S | * | * | trans | -74.5 | 89.1 | 152.7 | -75.8 | -170.6 | 178.9 | -171.8 | 2.9 | 111 | ||||
| 62 | V | 37.4 | Very low | 41.2 | Very low | 119 Ų | 119 | 170.4 Ų | 170.4 | 72% | 0.721 | 83% | 0.831 | S | S | * | * | trans | -88.8 | 107.9 | 171.9 | -170.1 | 0 | 0 | 0 | 0 | 109.9 | H60 I64 | H60-V62 HydrophobicContact CB-CG2 4.49Å; H60-V62 PolarHBondContact O-N 3.08Å; H60-V62 VanDerWaalsContact O-N 3.12Å; V62-I64 PolarHBondContact O-N 3.13Å | ||
| 63 | S | 37.1 | Very low | 40.1 | Very low | 102 Ų | 102 | 167.4 Ų | 167.4 | 71% | 0.713 | 83% | 0.827 | S | S | * | * | trans | -75.8 | 111.6 | -177.9 | 54.8 | 0 | 0 | 0 | 0 | 112.4 | L65 | S63-L65 PolarHBondContact O-N 3.36Š| ||
| 64 | I | 42.6 | Very low | 39 | Very low | 174 Ų | 174 | 164.2 Ų | 164.2 | 89% | 0.892 | 83% | 0.825 | S | S | * | * | trans | -81.9 | 63.4 | 177.8 | -45.6 | 177.8 | 0 | 0 | 0 | 110.3 | V62 | V62-I64 PolarHBondContact O-N 3.13Š| ||
| 65 | L | 37.8 | Very low | 37.9 | Very low | 147 Ų | 147 | 163.8 Ų | 163.8 | 77% | 0.77 | 83% | 0.825 | S | S | * | * | trans | -149.4 | 129.8 | 175.8 | -111.9 | 167.6 | 0 | 0 | 0 | 111 | S63 | S63-L65 PolarHBondContact O-N 3.36Š| ||
| 66 | K | 37.1 | Very low | 36.8 | Very low | 202 Ų | 202 | 159.8 Ų | 159.8 | 88% | 0.878 | 82% | 0.824 | S | S | * | * | trans | 64 | 112.2 | -172.5 | -61.8 | -178.5 | 175.3 | -179.3 | 0 | 115.6 | ||||
| 67 | K | 33.9 | Very low | 36.2 | Very low | 215 Ų | 215 | 158.9 Ų | 158.9 | 94% | 0.935 | 83% | 0.826 | S | S | * | * | trans | -113.6 | 126.2 | 142 | -79.7 | -164.9 | 172.4 | -168.4 | 0 | 108.6 | ||||
| 68 | L | 32.4 | Very low | 35.3 | Very low | 158 Ų | 158 | 158.5 Ų | 158.5 | 83% | 0.827 | 82% | 0.824 | S | S | * | * | trans | -113.1 | 137.7 | 154.9 | -172.9 | 73.6 | 0 | 0 | 0 | 105 | E70 | L68-E70 PolarHBondContact O-N 3.28Š| ||
| 69 | P | 38.2 | Very low | 34.1 | Very low | 120 Ų | 120 | 157.2 Ų | 157.2 | 78% | 0.779 | 82% | 0.82 | S | S | * | * | trans | -76.2 | 121.5 | -179.1 | 29.5 | -32.5 | 0 | 0 | 0 | 110.6 | ||||
| 70 | E | 26.9 | Very low | 33.1 | Very low | 195 Ų | 195 | 157.8 Ų | 157.8 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | trans | -82.1 | 150.7 | 158.6 | -68.5 | -178.5 | 142.8 | 0 | 0 | 109.4 | L68 | L68-E70 PolarHBondContact O-N 3.28Š| ||
| 71 | M | 30.3 | Very low | 32.3 | Very low | 184 Ų | 184 | 157.9 Ų | 157.9 | 91% | 0.906 | 82% | 0.821 | S | S | * | * | trans | -114.1 | 133.6 | 172.9 | -174.6 | 178.3 | 75 | 0 | 0 | 107.3 | ||||
| 72 | E | 30.4 | Very low | 31.5 | Very low | 188 Ų | 188 | 156.7 Ų | 156.7 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | -68.1 | 153 | -171.4 | -63.1 | -175.7 | 129.2 | 0 | 0 | 113.4 | ||||
| 73 | E | 30.6 | Very low | 31 | Very low | 171 Ų | 171 | 156.6 Ų | 156.6 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | trans | -65.9 | 167.8 | 174.9 | -75.8 | -157.8 | 153.4 | 0 | 0 | 113.4 | S75 | E73-S75 PolarHBondContact OE2-N 2.66Š| ||
| 74 | P | 34.4 | Very low | 30.4 | Very low | 121 Ų | 121 | 158.5 Ų | 158.5 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | -128.5 | 105.9 | 114.4 | 35.3 | -29.6 | 0 | 0 | 0 | 115 | |||||
| 75 | S | 27.8 | Very low | 30.7 | Very low | 98 Ų | 98 | 155.8 Ų | 155.8 | 69% | 0.685 | 81% | 0.812 | S | S | * | * | trans | 29 | 114.6 | 130.3 | 53.3 | 0 | 0 | 0 | 0 | 119.7 | E73 | E73-S75 PolarHBondContact OE2-N 2.66Š| ||
| 76 | G | 26.7 | Very low | 30.7 | Very low | 82 Ų | 82 | 154.7 Ų | 154.7 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | -175.8 | 90.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 77 | L | 29.1 | Very low | 30.2 | Very low | 171 Ų | 171 | 153.2 Ų | 153.2 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | trans | -40.2 | 133.8 | 174.5 | -65.6 | 156.3 | 0 | 0 | 0 | 116.7 | ||||
| 78 | T | 25 | Very low | 29.8 | Very low | 129 Ų | 129 | 148.2 Ų | 148.2 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | 150.4 | 106.6 | 118.5 | -59.2 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 79 | M | 26 | Very low | 29.5 | Very low | 165 Ų | 165 | 149.6 Ų | 149.6 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | 26.8 | 134.4 | 139.2 | -141.5 | -164 | -168.1 | 0 | 0 | 123.7 | ||||
| 80 | K | 29.8 | Very low | 28.8 | Very low | 171 Ų | 171 | 147.6 Ų | 147.6 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | trans | 112.5 | 92.5 | 146.6 | -61.9 | -175.6 | -177.4 | 175.2 | 0 | 120.5 | ||||
| 81 | Q | 24.6 | Very low | 28.8 | Very low | 159 Ų | 159 | 146.8 Ų | 146.8 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | 52.5 | 129.7 | 110.6 | -158 | -175.9 | -11.7 | 0 | 0 | 122.5 | |||||
| 82 | W | 23.7 | Very low | 28.5 | Very low | 220 Ų | 220 | 142.9 Ų | 142.9 | 83% | 0.833 | 79% | 0.793 | S | S | * | * | trans | 84.6 | 123.7 | 153.9 | -131.4 | -109.4 | 0 | 0 | 0 | 120.6 | ||||
| 83 | V | 25.7 | Very low | 28.5 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 71% | 0.709 | 78% | 0.783 | S | S | * | * | trans | 122.8 | 111.8 | 138.3 | 177.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 84 | N | 25.3 | Very low | 28.4 | Very low | 141 Ų | 141 | 141.5 Ų | 141.5 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | trans | -82.9 | -173.9 | 162.4 | -57.2 | -63.1 | 0 | 0 | 0 | 111.3 | ||||
| 85 | P | 48.9 | Very low | 28.1 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | -109.3 | -174.3 | -111.5 | 37.7 | -18.4 | 0 | 0 | 0 | 112.9 | |||||
| 86 | P | 38.2 | Very low | 28.3 | Very low | 124 Ų | 124 | 143.7 Ų | 143.7 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | -152.6 | -167.3 | 93.9 | 41.4 | -22.2 | 0 | 0 | 0 | 115.6 | |||||
| 87 | Q | 27.1 | Very low | 28.5 | Very low | 171 Ų | 171 | 145.1 Ų | 145.1 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | trans | -60.1 | 154.6 | 178.5 | -55 | 160.2 | -15.1 | 0 | 0 | 114.5 | ||||
| 88 | T | 24.6 | Very low | 28.5 | Very low | 111 Ų | 111 | 144.6 Ų | 144.6 | 68% | 0.681 | 77% | 0.772 | S | S | * | * | 174.4 | 153.2 | 107.1 | 30.4 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 89 | H | 26.1 | Very low | 29 | Very low | 186 Ų | 186 | 144.5 Ų | 144.5 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | trans | 42.4 | 135.9 | 153.7 | -51.5 | -48.7 | 0 | 0 | 0 | 123.3 | ||||
| 90 | G | 23.6 | Very low | 29.1 | Very low | 79 Ų | 79 | 143.1 Ų | 143.1 | 81% | 0.814 | 77% | 0.774 | S | S | * | * | trans | 171.2 | 95.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 91 | L | 27.1 | Very low | 29.1 | Very low | 177 Ų | 177 | 139.3 Ų | 139.3 | 93% | 0.927 | 78% | 0.775 | S | S | * | * | trans | -50.2 | 158.5 | 169.5 | -46.2 | 163.4 | 0 | 0 | 0 | 111.6 | ||||
| 92 | S | 24.7 | Very low | 29.4 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | cis | -170.4 | -157.7 | 24.9 | -155.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 93 | L | 28.6 | Very low | 29.6 | Very low | 129 Ų | 129 | 130 Ų | 130 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | cis | -164.7 | 130.1 | 3 | -170.1 | 119.6 | 0 | 0 | 0 | 110.5 | ||||
| 94 | R | 30 | Very low | 29.7 | Very low | 201 Ų | 201 | 134.2 Ų | 134.2 | 76% | 0.758 | 78% | 0.782 | S | S | * | * | trans | 61.8 | 160.1 | 164.2 | -68.6 | -175 | -179.1 | -81.1 | -1.7 | 118.1 | ||||
| 95 | D | 28.1 | Very low | 30 | Very low | 106 Ų | 106 | 137 Ų | 137 | 57% | 0.567 | 79% | 0.787 | S | S | * | * | cis | -164.4 | 174.7 | -19.3 | -95.3 | -14.5 | 0 | 0 | 0 | 105.9 | ||||
| 96 | L | 32.1 | Very low | 29.9 | Very low | 159 Ų | 159 | 136.4 Ų | 136.4 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | cis | -118 | -125.4 | 7.7 | -76.5 | 168 | 0 | 0 | 0 | 111.2 | ||||
| 97 | S | 30.1 | Very low | 29.3 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -156.7 | 156.8 | -170.3 | -44 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 98 | L | 29.1 | Very low | 29.4 | Very low | 160 Ų | 160 | 133.5 Ų | 133.5 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | -93.7 | 157.2 | 144.6 | -106.2 | 76.6 | 0 | 0 | 0 | 109.3 | ||||
| 99 | P | 35.8 | Very low | 29.6 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | trans | -78.2 | 172.7 | -175.9 | 32.2 | -35.7 | 0 | 0 | 0 | 114.7 | ||||
| 100 | T | 28.1 | Very low | 29.6 | Very low | 136 Ų | 136 | 130.5 Ų | 130.5 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | -128.8 | 173.7 | -151 | -44.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 101 | A | 30.6 | Very low | 29.9 | Very low | 91 Ų | 91 | 133.7 Ų | 133.7 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | trans | 82.6 | 148.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 102 | S | 29.6 | Very low | 30.1 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | cis | -146.6 | 164.4 | -7.3 | -138.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 103 | G | 29.2 | Very low | 30.8 | Very low | 57 Ų | 57 | 131.7 Ų | 131.7 | 59% | 0.588 | 77% | 0.773 | S | S | * | * | cis | 146.3 | 137.4 | 10.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 104 | E | 27.6 | Very low | 30.7 | Very low | 205 Ų | 205 | 132.2 Ų | 132.2 | 96% | 0.958 | 77% | 0.772 | S | S | * | * | trans | 73 | 154.4 | 173.3 | -52.9 | -164.4 | 140.6 | 0 | 0 | 120.1 | ||||
| 105 | K | 31.6 | Very low | 30.5 | Very low | 200 Ų | 200 | 132.6 Ų | 132.6 | 87% | 0.87 | 77% | 0.773 | S | S | * | * | trans | -168.6 | 173.7 | -169.4 | -126.1 | -174.3 | -178.1 | 177.5 | 0 | 104.6 | ||||
| 106 | P | 46.5 | Very low | 30.4 | Very low | 104 Ų | 104 | 133.7 Ų | 133.7 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | cis | -129 | 177.9 | -18.2 | 40.1 | -25.7 | 0 | 0 | 0 | 112.1 | ||||
| 107 | S | 26.2 | Very low | 30.2 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | 166.5 | 154.7 | 120.4 | -75.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 108 | S | 28.8 | Very low | 30.1 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | -76 | 156.7 | 179.2 | -44 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 109 | T | 28.6 | Very low | 30.1 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | -167 | 152.8 | 118.9 | -76.3 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 110 | S | 26.3 | Very low | 30.5 | Very low | 98 Ų | 98 | 141.8 Ų | 141.8 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | trans | -63.5 | 152.2 | 176.2 | -177.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 111 | I | 29 | Very low | 31.1 | Very low | 147 Ų | 147 | 141 Ų | 141 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | 177.8 | 143.6 | 123.7 | -90.7 | 153.9 | 0 | 0 | 0 | 110.3 | |||||
| 112 | V | 32.3 | Very low | 31 | Very low | 139 Ų | 139 | 142.8 Ų | 142.8 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | trans | -125.8 | 130.9 | 167.4 | 167.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 113 | P | 38.1 | Very low | 30.9 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 64% | 0.643 | 79% | 0.793 | S | S | * | * | -148.7 | 150.7 | 123.4 | 35.4 | -18 | 0 | 0 | 0 | 117.1 | |||||
| 114 | E | 27.3 | Very low | 30.9 | Very low | 140 Ų | 140 | 146 Ų | 146 | 65% | 0.654 | 81% | 0.808 | S | S | * | * | trans | 60.1 | 122.5 | 142.4 | -67.5 | -160.2 | 93.1 | 0 | 0 | 125.2 | ||||
| 115 | R | 26.2 | Very low | 30.8 | Very low | 208 Ų | 208 | 142.7 Ų | 142.7 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | 41.9 | 127.8 | 124.7 | -59.6 | -177.9 | 170.7 | 140.1 | -13.6 | 120.2 | |||||
| 116 | C | 25 | Very low | 30.6 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | -168.8 | 162.8 | 100 | -94.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 117 | H | 29.1 | Very low | 29.8 | Very low | 190 Ų | 190 | 145.8 Ų | 145.8 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | trans | -81.6 | 144.1 | 176.1 | -67.6 | -103.9 | 0 | 0 | 0 | 112.4 | ||||
| 118 | R | 27.3 | Very low | 29.7 | Very low | 248 Ų | 248 | 143.7 Ų | 143.7 | 94% | 0.936 | 81% | 0.805 | S | S | * | * | trans | -164.1 | 124.1 | 142.2 | -123.3 | 179.1 | 175.4 | 157.4 | 0.8 | 114.5 | ||||
| 119 | E | 28.1 | Very low | 29.9 | Very low | 178 Ų | 178 | 150.3 Ų | 150.3 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -96.6 | 179.4 | 150.7 | -78.7 | -170.3 | 144.5 | 0 | 0 | 108.9 | ||||
| 120 | P | 44.8 | Very low | 30 | Very low | 112 Ų | 112 | 149.8 Ų | 149.8 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | cis | -120.4 | -144.6 | -14.6 | 41.9 | -25.1 | 0 | 0 | 0 | 108.3 | ||||
| 121 | P | 40 | Very low | 30.1 | Very low | 119 Ų | 119 | 150.3 Ų | 150.3 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | cis | -128.8 | -176.4 | -18.8 | 39.3 | -21 | 0 | 0 | 0 | 115.3 | ||||
| 122 | S | 29.7 | Very low | 30.2 | Very low | 129 Ų | 129 | 151.2 Ų | 151.2 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | trans | -56.7 | 146 | -174.5 | -44.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 123 | G | 27.5 | Very low | 30 | Very low | 79 Ų | 79 | 154.2 Ų | 154.2 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | trans | -156.2 | 130.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 124 | L | 28.1 | Very low | 29.5 | Very low | 173 Ų | 173 | 153.9 Ų | 153.9 | 91% | 0.906 | 82% | 0.821 | S | S | * | * | trans | -88.8 | 144.3 | -171.6 | -72.2 | 161.7 | 0 | 0 | 0 | 113.3 | ||||
| 125 | T | 26.2 | Very low | 29.4 | Very low | 134 Ų | 134 | 156.1 Ų | 156.1 | 82% | 0.822 | 83% | 0.829 | S | S | * | * | -167.3 | 153.6 | 129.5 | -75.1 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 126 | F | 27.3 | Very low | 29.6 | Very low | 184 Ų | 184 | 151.9 Ų | 151.9 | 81% | 0.807 | 83% | 0.831 | S | S | * | * | trans | -62.8 | 168.7 | 179.5 | -62.6 | -92.8 | 0 | 0 | 0 | 113.2 | ||||
| 127 | H | 29.6 | Very low | 29.6 | Very low | 185 Ų | 185 | 151.5 Ų | 151.5 | 86% | 0.856 | 83% | 0.83 | S | S | * | * | cis | -165.3 | 148.2 | 28 | -144.7 | 29.1 | 0 | 0 | 0 | 109.5 | ||||
| 128 | G | 25.2 | Very low | 29.5 | Very low | 74 Ų | 74 | 147.8 Ų | 147.8 | 76% | 0.763 | 83% | 0.825 | S | S | * | * | trans | 162.7 | 66.2 | 173 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 129 | R | 31.8 | Very low | 29.6 | Very low | 255 Ų | 255 | 143.7 Ų | 143.7 | 96% | 0.962 | 82% | 0.82 | S | S | * | * | trans | 16.6 | 104.1 | 156.5 | -60.4 | 179.7 | -179 | -130.6 | -0.5 | 120.1 | ||||
| 130 | S | 30.7 | Very low | 29.8 | Very low | 125 Ų | 125 | 142.5 Ų | 142.5 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | -166.4 | 115.3 | 129.2 | -171 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 131 | A | 28.1 | Very low | 28.9 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | trans | -109.5 | 103.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 132 | Q | 31.6 | Very low | 28.6 | Very low | 167 Ų | 167 | 145.5 Ų | 145.5 | 78% | 0.78 | 82% | 0.821 | S | S | * | * | trans | -97.1 | 163.5 | 169.7 | -164.4 | -171.3 | 14.8 | 0 | 0 | 109.6 | ||||
| 133 | R | 27.9 | Very low | 28.7 | Very low | 202 Ų | 202 | 148 Ų | 148 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | trans | 89.5 | 120.6 | 162.5 | -61.9 | -178.7 | 165.8 | 169.7 | -4.8 | 118.8 | ||||
| 134 | S | 28.8 | Very low | 29 | Very low | 91 Ų | 91 | 149.6 Ų | 149.6 | 64% | 0.636 | 82% | 0.817 | S | S | * | * | 63.4 | 161.9 | 120.1 | -44.6 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 135 | F | 25.3 | Very low | 29.3 | Very low | 187 Ų | 187 | 149 Ų | 149 | 82% | 0.82 | 81% | 0.813 | S | S | * | * | cis | -136.3 | -175.7 | 14.9 | -79.2 | -87.7 | 0 | 0 | 0 | 112.5 | ||||
| 136 | S | 30.3 | Very low | 29.7 | Very low | 119 Ų | 119 | 149.6 Ų | 149.6 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -53.5 | 145.3 | 175.2 | -37.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 137 | S | 23.9 | Very low | 30.4 | Very low | 123 Ų | 123 | 146 Ų | 146 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -161.4 | 143.7 | 141.7 | 53.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 138 | S | 27 | Very low | 30.7 | Very low | 111 Ų | 111 | 143.2 Ų | 143.2 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -98.4 | 139.2 | 163.5 | 172.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 139 | I | 29.6 | Very low | 31.3 | Very low | 162 Ų | 162 | 147.7 Ų | 147.7 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | trans | -173 | 157.2 | 131.7 | -100.6 | 160.7 | 0 | 0 | 0 | 110.7 | ||||
| 140 | L | 31.7 | Very low | 31.5 | Very low | 153 Ų | 153 | 146.9 Ų | 146.9 | 80% | 0.801 | 81% | 0.807 | S | S | * | * | trans | -64.4 | 144.8 | -176.5 | -60.9 | 158.1 | 0 | 0 | 0 | 113.7 | ||||
| 141 | E | 27.7 | Very low | 31.6 | Very low | 180 Ų | 180 | 146.3 Ų | 146.3 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | trans | -135.8 | 140.2 | 133.7 | -169.8 | 164.3 | -152.4 | 0 | 0 | 109.1 | ||||
| 142 | V | 33.2 | Very low | 31.8 | Very low | 115 Ų | 115 | 149.5 Ų | 149.5 | 70% | 0.697 | 80% | 0.797 | S | S | * | * | trans | -107.3 | 124.5 | -173.8 | 173.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 143 | Q | 32.2 | Very low | 31.8 | Very low | 181 Ų | 181 | 149.7 Ų | 149.7 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -127.1 | 120.4 | 156.7 | -68.7 | -164.6 | 8.4 | 0 | 0 | 110.1 | ||||
| 144 | S | 32.2 | Very low | 32.1 | Very low | 112 Ų | 112 | 145.7 Ų | 145.7 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | -85.2 | 122.7 | -175 | 53.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 145 | I | 35.8 | Very low | 32.1 | Very low | 160 Ų | 160 | 146.4 Ų | 146.4 | 82% | 0.821 | 81% | 0.806 | S | S | * | * | trans | -129.2 | 136.9 | 158.7 | -57.4 | -177.6 | 0 | 0 | 0 | 107.7 | ||||
| 146 | N | 35 | Very low | 32.6 | Very low | 148 Ų | 148 | 143 Ų | 143 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 147.7 | -160.1 | -53.7 | -78.1 | 0 | 0 | 0 | 114.6 | ||
| 147 | P | 41.2 | Very low | 32.9 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66 | 146.2 | 160.9 | 31 | -34.4 | 0 | 0 | 0 | 110.2 | L149 | P147-L149 PolarHBondContact O-N 3.08Š|
| 148 | P | 36.4 | Very low | 33.3 | Very low | 126 Ų | 126 | 145.7 Ų | 145.7 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -68 | 120.3 | 175.7 | 27.5 | -33.2 | 0 | 0 | 0 | 110.6 | R150 | P148-R150 PolarHBondContact O-N 2.99Š|
| 149 | L | 36.4 | Very low | 33.6 | Very low | 168 Ų | 168 | 146.7 Ų | 146.7 | 88% | 0.88 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 128.2 | 174.9 | -72 | 163.8 | 0 | 0 | 0 | 110.5 | P147 | P147-L149 PolarHBondContact O-N 3.08Š|
| 150 | R | 36.5 | Very low | 33.7 | Very low | 237 Ų | 237 | 145.1 Ų | 145.1 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 129.2 | 171 | -66.7 | 179.5 | 179.9 | 168.1 | -0.3 | 109.2 | P148 Q152 | P148-R150 PolarHBondContact O-N 2.99Å; R150-Q152 PolarHBondContact O-N 3.22Å |
| 151 | P | 32.9 | Very low | 33.7 | Very low | 113 Ų | 113 | 143.4 Ų | 143.4 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 122.5 | 169.7 | 27.5 | -32.3 | 0 | 0 | 0 | 109.8 | L153 | P151-L153 PolarHBondContact O-N 3.39Š|
| 152 | Q | 33.1 | Very low | 33.7 | Very low | 175 Ų | 175 | 144.6 Ų | 144.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -66 | 109.3 | 169.7 | -73.2 | -82 | 6.6 | 0 | 0 | 108.9 | R150 T154 | R150-Q152 PolarHBondContact O-N 3.22Å; Q152-T154 VanDerWaalsContact C-N 3.3Å; Q152-T154 PolarHBondContact O-N 2.92Å | ||
| 153 | L | 30.9 | Very low | 33.6 | Very low | 172 Ų | 172 | 146 Ų | 146 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | trans | -81.2 | 74.3 | 178.6 | -74.9 | 176.5 | 0 | 0 | 0 | 111.5 | P151 | P151-L153 PolarHBondContact O-N 3.39Š| ||
| 154 | T | 34.1 | Very low | 33.4 | Very low | 117 Ų | 117 | 141.8 Ų | 141.8 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | trans | -85.9 | 141.5 | 165.7 | 54.5 | 0 | 0 | 0 | 0 | 111.4 | Q152 | Q152-T154 VanDerWaalsContact C-N 3.3Å; Q152-T154 PolarHBondContact O-N 2.92Å | ||
| 155 | S | 28.3 | Very low | 33.3 | Very low | 107 Ų | 107 | 148.1 Ų | 148.1 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | 80.1 | 99.7 | 164.7 | -128.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 156 | T | 36 | Very low | 33.1 | Very low | 116 Ų | 116 | 144.7 Ų | 144.7 | 71% | 0.712 | 78% | 0.776 | S | S | * | * | 32.9 | 121.9 | 127.6 | 59.9 | 0 | 0 | 0 | 0 | 121 | |||||
| 157 | V | 36.9 | Very low | 33 | Very low | 131 Ų | 131 | 149.1 Ų | 149.1 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | 58 | 106.3 | 143.1 | -173.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 158 | L | 32.3 | Very low | 32.4 | Very low | 167 Ų | 167 | 151.2 Ų | 151.2 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -153.2 | 151.6 | 142.7 | -107.5 | 172.3 | 0 | 0 | 0 | 110.3 | ||||
| 159 | N | 32.4 | Very low | 32.2 | Very low | 131 Ų | 131 | 150.8 Ų | 150.8 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | -82.5 | 146.3 | -167.7 | -55.2 | -68.6 | 0 | 0 | 0 | 113.3 | T161 | N159-T161 PolarHBondContact O-N 3.36Š| ||
| 160 | P | 33.6 | Very low | 31.9 | Very low | 129 Ų | 129 | 154.3 Ų | 154.3 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -75.9 | 101 | 168.8 | 30.9 | -32.9 | 0 | 0 | 0 | 111.1 | Y162 | P160-Y162 PolarHBondContact O-N 3.49Å; P160-Y162 VanDerWaalsContact O-N 3.07Å | ||
| 161 | T | 30.9 | Very low | 31.5 | Very low | 118 Ų | 118 | 151 Ų | 151 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | trans | -72.4 | 97.7 | 174.9 | -53.1 | 0 | 0 | 0 | 0 | 111.3 | N159 M163 | N159-T161 PolarHBondContact O-N 3.36Å; T161-M163 HydrophobicContact CG2-CE 4.36Å; T161-M163 HydrophobicContact CG2-CG 4.28Å; T161-M163 PolarHBondContact O-N 3.04Å | ||
| 162 | Y | 28.5 | Very low | 31.4 | Very low | 204 Ų | 204 | 150.7 Ų | 150.7 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | -78.3 | 109.5 | 176 | -167.4 | -99.5 | 0 | 0 | 0 | 111.4 | P160 P164 | P160-Y162 PolarHBondContact O-N 3.49Å; P160-Y162 VanDerWaalsContact O-N 3.07Å; Y162-P164 HydrophobicContact CE1-CB 4.35Å; Y162-P164 WeakPolarHBondContact O-CD 3.22Å | ||
| 163 | M | 29.5 | Very low | 31.3 | Very low | 145 Ų | 145 | 151.8 Ų | 151.8 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | trans | -106.1 | 100.2 | 176.5 | -80.1 | -74.3 | 106.4 | 0 | 0 | 111.1 | T161 R165 | T161-M163 HydrophobicContact CG2-CE 4.36Å; T161-M163 HydrophobicContact CG2-CG 4.28Å; T161-M163 PolarHBondContact O-N 3.04Å; M163-R165 PolarHBondContact O-N 3.26Å | ||
| 164 | P | 29.5 | Very low | 31.2 | Very low | 92 Ų | 92 | 148 Ų | 148 | 60% | 0.597 | 78% | 0.778 | S | S | * | * | trans | -70.3 | 121.2 | 175 | 28.3 | -33 | 0 | 0 | 0 | 110.8 | Y162 S166 | Y162-P164 HydrophobicContact CE1-CB 4.35Å; Y162-P164 WeakPolarHBondContact O-CD 3.22Å; P164-S166 PolarHBondContact O-N 2.99Å | ||
| 165 | R | 30.2 | Very low | 30.9 | Very low | 246 Ų | 246 | 151.3 Ų | 151.3 | 93% | 0.928 | 79% | 0.785 | S | S | * | * | trans | -74.4 | 86.9 | 178.4 | -75.2 | -174.7 | 169.8 | -164.6 | -2.1 | 111.8 | M163 R167 | M163-R165 PolarHBondContact O-N 3.26Å; R165-R167 PolarHBondContact O-N 3.19Å; R165-R167 VanDerWaalsContact O-N 3.09Å | ||
| 166 | S | 30.3 | Very low | 31 | Very low | 87 Ų | 87 | 154.2 Ų | 154.2 | 61% | 0.608 | 79% | 0.791 | S | S | * | * | trans | -71.6 | 97.5 | 175.5 | 50.8 | 0 | 0 | 0 | 0 | 112.5 | P164 H168 | P164-S166 PolarHBondContact O-N 2.99Å; S166-H168 PolarHBondContact O-N 3.45Å; S166-H168 VanDerWaalsContact O-N 3.07Å; S166-H168 PolarHBondContact O-ND1 3.02Å; S166-H168 PolarHBondContact OG-CE1 3.11Å | ||
| 167 | R | 32.2 | Very low | 30.6 | Very low | 241 Ų | 241 | 160.3 Ų | 160.3 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | -64.9 | 105.3 | 168.1 | -81.8 | -171.2 | 174.5 | -168.9 | 0.9 | 109.8 | R165 P169 | R165-R167 PolarHBondContact O-N 3.19Å; R165-R167 VanDerWaalsContact O-N 3.09Å; R167-P169 WeakPolarHBondContact O-CD 3.24Å | ||
| 168 | H | 30.6 | Very low | 30.4 | Very low | 153 Ų | 153 | 159.6 Ų | 159.6 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | trans | -92.8 | 117 | 170.8 | -72 | 74.5 | 0 | 0 | 0 | 110.7 | S166 | S166-H168 PolarHBondContact O-N 3.45Å; S166-H168 VanDerWaalsContact O-N 3.07Å; S166-H168 PolarHBondContact O-ND1 3.02Å; S166-H168 PolarHBondContact OG-CE1 3.11Å | ||
| 169 | P | 31.1 | Very low | 30.2 | Very low | 117 Ų | 117 | 161.7 Ų | 161.7 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | trans | -68.7 | 129.3 | 159.5 | -10.9 | 27.7 | 0 | 0 | 0 | 108.6 | R167 I171 | R167-P169 WeakPolarHBondContact O-CD 3.24Å; P169-I171 PolarHBondContact O-N 2.94Å | ||
| 170 | R | 30.3 | Very low | 30.1 | Very low | 243 Ų | 243 | 164.5 Ų | 164.5 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | trans | -77 | 112.3 | 174 | -62.8 | -176.3 | -170.4 | 174.3 | 3.1 | 109.2 | S172 | R170-S172 PolarHBondContact O-N 3.39Š| ||
| 171 | I | 28.8 | Very low | 29.9 | Very low | 166 Ų | 166 | 161.9 Ų | 161.9 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | -73.9 | 104.1 | 167.6 | -66.9 | 174.5 | 0 | 0 | 0 | 107.8 | P169 Q173 | P169-I171 PolarHBondContact O-N 2.94Å; I171-Q173 PolarHBondContact O-N 2.94Å | ||
| 172 | S | 29.8 | Very low | 29.9 | Very low | 108 Ų | 108 | 162.6 Ų | 162.6 | 76% | 0.755 | 82% | 0.82 | S | S | * | * | trans | -82.5 | 109.8 | 176.1 | 54 | 0 | 0 | 0 | 0 | 110.6 | R170 A174 | R170-S172 PolarHBondContact O-N 3.39Å; S172-A174 PolarHBondContact O-N 3.24Å | ||
| 173 | Q | 32.2 | Very low | 29.8 | Very low | 197 Ų | 197 | 155.9 Ų | 155.9 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -65.2 | 121 | 176.3 | -170.5 | 179.1 | 24.8 | 0 | 0 | 111 | I171 | I171-Q173 PolarHBondContact O-N 2.94Š| ||
| 174 | A | 27.1 | Very low | 30 | Very low | 93 Ų | 93 | 155.2 Ų | 155.2 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -143.9 | 154.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S172 | S172-A174 PolarHBondContact O-N 3.24Š| ||
| 175 | H | 28.4 | Very low | 30.1 | Very low | 186 Ų | 186 | 159.6 Ų | 159.6 | 86% | 0.861 | 83% | 0.828 | S | S | * | * | trans | -76.4 | 148.4 | -161.3 | -72.4 | -31.6 | 0 | 0 | 0 | 117.1 | ||||
| 176 | L | 31.5 | Very low | 30.1 | Very low | 168 Ų | 168 | 151.2 Ų | 151.2 | 88% | 0.88 | 82% | 0.819 | S | S | * | * | trans | -6.5 | 117.9 | 138 | -72.4 | 159.6 | 0 | 0 | 0 | 116.3 | ||||
| 177 | R | 26.8 | Very low | 30.2 | Very low | 245 Ų | 245 | 154.1 Ų | 154.1 | 93% | 0.925 | 83% | 0.833 | S | S | * | * | trans | -158.3 | 122.9 | 135.4 | -159.2 | 175 | -173.3 | -179 | 3.7 | 112.2 | ||||
| 178 | S | 31.5 | Very low | 30.3 | Very low | 115 Ų | 115 | 152.3 Ų | 152.3 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | trans | -73.6 | 136.5 | 168.9 | -46.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 179 | K | 29.9 | Very low | 30.4 | Very low | 211 Ų | 211 | 151.9 Ų | 151.9 | 92% | 0.917 | 84% | 0.84 | S | S | * | * | trans | -153.4 | 145.7 | 142.1 | -138.6 | -176.5 | 179 | -169.4 | 0 | 112.4 | ||||
| 180 | E | 30.2 | Very low | 30.2 | Very low | 191 Ų | 191 | 151.6 Ų | 151.6 | 89% | 0.893 | 84% | 0.841 | S | S | * | * | trans | -93.8 | 145.5 | 179.4 | -179.4 | 177.2 | -162.4 | 0 | 0 | 110 | ||||
| 181 | G | 29.6 | Very low | 30.2 | Very low | 74 Ų | 74 | 146 Ų | 146 | 76% | 0.763 | 84% | 0.839 | S | S | * | * | trans | 173.1 | 102.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 182 | S | 30.2 | Very low | 30.3 | Very low | 133 Ų | 133 | 143.1 Ų | 143.1 | 93% | 0.93 | 83% | 0.834 | S | S | * | * | trans | -34.3 | 148.5 | 165.6 | -176.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 183 | G | 27.1 | Very low | 30.6 | Very low | 62 Ų | 62 | 142.7 Ų | 142.7 | 64% | 0.639 | 84% | 0.837 | S | S | * | * | trans | 143.3 | 105.9 | 135.9 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 184 | V | 33.7 | Very low | 31 | Very low | 131 Ų | 131 | 138.6 Ų | 138.6 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | trans | 66.9 | 121.1 | 138.8 | -176.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 185 | E | 30.8 | Very low | 31.9 | Very low | 184 Ų | 184 | 139.8 Ų | 139.8 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | 32 | 112.3 | 147.6 | -58.9 | -179.6 | 111.2 | 0 | 0 | 122.3 | ||||
| 186 | G | 29.3 | Very low | 32.5 | Very low | 71 Ų | 71 | 136.4 Ų | 136.4 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | 92.2 | 94.9 | 83.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 187 | T | 32.9 | Very low | 33.4 | Very low | 147 Ų | 147 | 134.5 Ų | 134.5 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -152.9 | 138.5 | 140.6 | -14.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 188 | K | 34.4 | Very low | 34.3 | Very low | 204 Ų | 204 | 126 Ų | 126 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | trans | -111.6 | 123.3 | 176.7 | -69.3 | 178 | -179.3 | 173.6 | 0 | 110.1 | ||||
| 189 | T | 31.8 | Very low | 35 | Very low | 143 Ų | 143 | 128 Ų | 128 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | trans | -136.1 | 106.2 | 161.7 | 51.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 190 | S | 28.1 | Very low | 36 | Very low | 111 Ų | 111 | 125.3 Ų | 125.3 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | -112.8 | 112.2 | -173.3 | 53.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 191 | S | 29.6 | Very low | 37.7 | Very low | 126 Ų | 126 | 122 Ų | 122 | 88% | 0.881 | 74% | 0.739 | S | S | * | * | trans | -179.1 | 104.1 | 146.5 | 33.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 192 | S | 31.4 | Very low | 39.2 | Very low | 106 Ų | 106 | 122 Ų | 122 | 74% | 0.741 | 73% | 0.725 | S | S | * | * | trans | -156.8 | 58.1 | 160.4 | -169.9 | 0 | 0 | 0 | 0 | 108.9 | V194 | S192-V194 PolarHBondContact O-N 3.47Š| ||
| 193 | A | 36.8 | Very low | 40.8 | Very low | 99 Ų | 99 | 119.3 Ų | 119.3 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | trans | -78.5 | 61.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 194 | V | 39.4 | Very low | 42.7 | Very low | 111 Ų | 111 | 124 Ų | 124 | 67% | 0.673 | 70% | 0.699 | S | S | * | * | trans | -94.8 | 118.1 | 172.8 | -177.6 | 0 | 0 | 0 | 0 | 107.6 | S192 | S192-V194 PolarHBondContact O-N 3.47Š| ||
| 195 | N | 45.8 | Very low | 43.9 | Very low | 117 Ų | 117 | 125.2 Ų | 125.2 | 63% | 0.626 | 69% | 0.69 | S | S | * | * | trans | 52.8 | 63.1 | 173.5 | -63.8 | 32.1 | 0 | 0 | 0 | 114.9 | E197 | N195-E197 HydrophobicContact CB-CG 4.32Å; N195-E197 PolarHBondContact ND2-OE1 3.45Å; N195-E197 PolarHBondContact O-N 3.38Å | ||
| 196 | S | 41.8 | Very low | 45.3 | Very low | 116 Ų | 116 | 118.7 Ų | 118.7 | 81% | 0.811 | 67% | 0.667 | S | S | * | * | trans | -69.5 | 63.2 | 151.1 | -62.9 | 0 | 0 | 0 | 0 | 110 | C198 | S196-C198 PolarHBondContact O-N 2.88Š| ||
| 197 | E | 49.7 | Very low | 46.8 | Very low | 127 Ų | 127 | 120.8 Ų | 120.8 | 59% | 0.593 | 67% | 0.669 | S | S | * | * | trans | -56.3 | 123.6 | 166.7 | -75.3 | 167.7 | -149.8 | 0 | 0 | 107.5 | N195 W199 | N195-E197 HydrophobicContact CB-CG 4.32Å; N195-E197 PolarHBondContact ND2-OE1 3.45Å; N195-E197 PolarHBondContact O-N 3.38Å; E197-W199 PolarHBondContact O-N 2.74Å | ||
| 198 | C | 45.7 | Very low | 48.1 | Very low | 66 Ų | 66 | 116.1 Ų | 116.1 | 45% | 0.446 | 65% | 0.645 | S | S | . | * | trans | -67.4 | 113.1 | -174.9 | -163.4 | 0 | 0 | 0 | 0 | 107.9 | S196 Y200 Q201 | S196-C198 PolarHBondContact O-N 2.88Å; C198-Y200 PolarHBondContact O-N 2.98Å; C198-Y200 VanDerWaalsContact O-N 3.12Å; C198-Q201 HydrophobicContact CB-CB 4.35Å; C198-Q201 WeakPolarHBondContact O-CA 3.46Å; C198-Q201 WeakPolarHBondContact O-CB 3.29Å; C198-Q201 PolarHBondContact O-N 2.89Å | ||
| 199 | W | 46.5 | Very low | 49.4 | Very low | 158 Ų | 158 | 111.6 Ų | 111.6 | 60% | 0.598 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -53.9 | -39.3 | -169.5 | 72.4 | -67.2 | 0 | 0 | 0 | 113.3 | E197 Q201 V202 D203 | E197-W199 PolarHBondContact O-N 2.74Å; W199-Q201 PolarHBondContact O-N 2.91Å; W199-Q201 VanDerWaalsContact O-N 3.1Å; W199-V202 PolarHBondContact O-N 3.09Å; W199-D203 WeakPolarHBondContact CZ3-OD2 3.41Å; W199-D203 PolarHBondContact O-N 3.19Å |
| 200 | Y | 52.3 | Low | 50.9 | Low | 154 Ų | 154 | 106.7 Ų | 106.7 | 60% | 0.604 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -50 | -33.6 | 170.9 | -57.2 | -62.3 | 0 | 0 | 0 | 114.4 | C198 Y204 | C198-Y200 PolarHBondContact O-N 2.98Å; C198-Y200 VanDerWaalsContact O-N 3.12Å; Y200-Y204 WeakPolarHBondContact O-CB 3.41Å; Y200-Y204 PolarHBondContact O-N 3.19Å |
| 201 | Q | 65.1 | Low | 52.6 | Low | 121 Ų | 121 | 110.9 Ų | 110.9 | 57% | 0.565 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -76.7 | -35.3 | -179.6 | -160.9 | 172.5 | 16.2 | 0 | 0 | 111.6 | C198 W199 W205 | C198-Q201 HydrophobicContact CB-CB 4.35Å; C198-Q201 WeakPolarHBondContact O-CA 3.46Å; C198-Q201 WeakPolarHBondContact O-CB 3.29Å; C198-Q201 PolarHBondContact O-N 2.89Å; W199-Q201 PolarHBondContact O-N 2.91Å; W199-Q201 VanDerWaalsContact O-N 3.1Å; Q201-W205 PolarHBondContact O-N 3.07Å |
| 202 | V | 60.1 | Low | 54.4 | Low | 76 Ų | 76 | 108.2 Ų | 108.2 | 46% | 0.461 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.8 | -46.2 | 172.2 | -179.2 | 0 | 0 | 0 | 0 | 109.9 | W199 Y204 W205 A206 | W199-V202 PolarHBondContact O-N 3.09Å; V202-Y204 PolarHBondContact O-N 2.76Å; V202-W205 PolarHBondContact O-N 2.71Å; V202-A206 WeakPolarHBondContact O-CB 3.29Å; V202-A206 PolarHBondContact O-N 3.31Å |
| 203 | D | 65.1 | Low | 56.2 | Low | 76 Ų | 76 | 110.4 Ų | 110.4 | 41% | 0.406 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.2 | -37.7 | 178.5 | -72.3 | -23 | 0 | 0 | 0 | 112.4 | W199 W205 A206 C207 | W199-D203 WeakPolarHBondContact CZ3-OD2 3.41Å; W199-D203 PolarHBondContact O-N 3.19Å; D203-W205 PolarHBondContact O-N 3.43Å; D203-A206 PolarHBondContact O-N 3.2Å; D203-C207 PolarHBondContact O-N 3.05Å; D203-C207 PolarHBondContact O-SG 2.93Å; D203-C207 VanDerWaalsContact O-SG 3.38Å |
| 204 | Y | 67 | Low | 58 | Low | 161 Ų | 161 | 108 Ų | 108 | 63% | 0.631 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -57.1 | -49 | 173.9 | -179.8 | -96.5 | 0 | 0 | 0 | 112 | Y200 V202 C207 A208 | Y200-Y204 WeakPolarHBondContact O-CB 3.41Å; Y200-Y204 PolarHBondContact O-N 3.19Å; V202-Y204 PolarHBondContact O-N 2.76Å; Y204-C207 PolarHBondContact O-N 2.69Å; Y204-A208 PolarHBondContact O-N 3.5Å |
| 205 | W | 57.7 | Low | 59.6 | Low | 156 Ų | 156 | 105 Ų | 105 | 59% | 0.591 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -71.6 | -30.8 | 176.6 | -69.8 | 116.6 | 0 | 0 | 0 | 113 | Q201 V202 D203 C207 A208 I209 | Q201-W205 PolarHBondContact O-N 3.07Å; V202-W205 PolarHBondContact O-N 2.71Å; D203-W205 PolarHBondContact O-N 3.43Å; W205-C207 PolarHBondContact O-N 3.28Å; W205-A208 HydrophobicContact CE3-CB 4.1Å; W205-A208 PolarHBondContact O-N 2.83Å; W205-I209 PolarHBondContact O-N 2.79Å |
| 206 | A | 61.4 | Low | 60.6 | Low | 46 Ų | 46 | 104.3 Ų | 104.3 | 38% | 0.38 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69.3 | -17.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V202 D203 | V202-A206 WeakPolarHBondContact O-CB 3.29Å; V202-A206 PolarHBondContact O-N 3.31Å; D203-A206 PolarHBondContact O-N 3.2Å |
| 207 | C | 59.7 | Low | 62.2 | Low | 115 Ų | 115 | 101.7 Ų | 101.7 | 78% | 0.777 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -92.9 | -21.2 | 170.1 | -70.7 | 0 | 0 | 0 | 0 | 113.3 | D203 Y204 W205 | D203-C207 PolarHBondContact O-N 3.05Å; D203-C207 PolarHBondContact O-SG 2.93Å; D203-C207 VanDerWaalsContact O-SG 3.38Å; Y204-C207 PolarHBondContact O-N 2.69Å; W205-C207 PolarHBondContact O-N 3.28Å |
| 208 | A | 60.5 | Low | 63.6 | Low | 49 Ų | 49 | 100.4 Ų | 100.4 | 41% | 0.405 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -81.9 | -20.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y204 W205 | Y204-A208 PolarHBondContact O-N 3.5Å; W205-A208 HydrophobicContact CE3-CB 4.1Å; W205-A208 PolarHBondContact O-N 2.83Å |
| 209 | I | 63 | Low | 65.4 | Low | 110 Ų | 110 | 104.7 Ų | 104.7 | 56% | 0.564 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -114.8 | 124.7 | -178.4 | -55.9 | 176.8 | 0 | 0 | 0 | 109.1 | W205 K211 | W205-I209 PolarHBondContact O-N 2.79Å; I209-K211 PolarHBondContact O-N 3.29Å |
| 210 | P | 63.4 | Low | 66.8 | Low | 39 Ų | 39 | 106.2 Ų | 106.2 | 25% | 0.253 | 55% | 0.551 | S | S | . | * | trans | -58 | 138.7 | 173.1 | -21.2 | 30.9 | 0 | 0 | 0 | 111.7 | A212 Y236 P239 | P210-A212 VanDerWaalsContact C-N 3.25Å; P210-A212 PolarHBondContact O-N 2.96Å; P210-Y236 HydrophobicContact CB-CD2 4.14Å; P210-Y236 HydrophobicContact CB-CE2 3.71Å; P210-Y236 HydrophobicContact CG-CD2 4.05Å; P210-Y236 HydrophobicContact CG-CE1 4.49Å; P210-Y236 HydrophobicContact CG-CE2 3.92Å; P210-Y236 HydrophobicContact CG-CG 4.4Å; P210-Y236 WeakPolarHBondContact CG-O 3.47Å; P210-P239 HydrophobicContact CG-CG 4.1Å | ||
| 211 | K | 62.1 | Low | 68.1 | Low | 199 Ų | 199 | 101.6 Ų | 101.6 | 87% | 0.865 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -78.8 | -9.1 | 178 | -63.1 | 176 | -176.2 | 172 | 0 | 113.4 | I209 | I209-K211 PolarHBondContact O-N 3.29Š|
| 212 | A | 68.4 | Low | 68.6 | Low | 70 Ų | 70 | 101.4 Ų | 101.4 | 58% | 0.579 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -81.6 | 167 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111 | P210 Y236 | P210-A212 VanDerWaalsContact C-N 3.25Å; P210-A212 PolarHBondContact O-N 2.96Å; A212-Y236 PolarHBondContact O-OH 2.89Å; A212-Y236 VanDerWaalsContact O-OH 3.05Å |
| 213 | L | 69.1 | Low | 69.5 | Low | 152 Ų | 152 | 102 Ų | 102 | 80% | 0.796 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 154.6 | 166.8 | -69.6 | 172.4 | 0 | 0 | 0 | 110.4 | ||
| 214 | P | 73.4 | Confident | 70.5 | Confident | 50 Ų | 50 | 102.9 Ų | 102.9 | 33% | 0.325 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -62.4 | 142 | 175.5 | 25.5 | -34.2 | 0 | 0 | 0 | 111.4 | S216 L233 Y236 | P214-S216 PolarHBondContact O-N 2.9Å; P214-S216 VanDerWaalsContact O-N 3.13Å; P214-S216 PolarHBondContact O-OG 2.83Å; P214-S216 VanDerWaalsContact O-OG 3.08Å; P214-L233 HydrophobicContact CB-CD2 3.96Å; P214-Y236 HydrophobicContact CB-CD1 3.98Å; P214-Y236 HydrophobicContact CB-CD2 4.39Å; P214-Y236 HydrophobicContact CB-CE1 3.85Å; P214-Y236 HydrophobicContact CB-CE2 4.23Å; P214-Y236 HydrophobicContact CB-CG 4.26Å |
| 215 | P | 73.6 | Confident | 71.2 | Confident | 48 Ų | 48 | 98.5 Ų | 98.5 | 31% | 0.312 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 120 | 177.8 | 24.9 | -32.8 | 0 | 0 | 0 | 109.6 | A232 L233 | P215-A232 HydrophobicContact CB-CB 4.21Å; P215-A232 HydrophobicContact CG-CB 3.7Å; P215-A232 WeakPolarHBondContact CG-O 3.36Å; P215-L233 HydrophobicContact CG-CD2 4.42Å |
| 216 | S | 66.3 | Low | 72.5 | Confident | 101 Ų | 101 | 94.3 Ų | 94.3 | 71% | 0.706 | 55% | 0.551 | S | S | * | * | trans | -128.7 | 77.8 | -175.9 | 27.9 | 0 | 0 | 0 | 0 | 109.7 | P214 | P214-S216 PolarHBondContact O-N 2.9Å; P214-S216 VanDerWaalsContact O-N 3.13Å; P214-S216 PolarHBondContact O-OG 2.83Å; P214-S216 VanDerWaalsContact O-OG 3.08Å | ||
| 217 | P | 77.1 | Confident | 73.5 | Confident | 62 Ų | 62 | 97.9 Ų | 97.9 | 40% | 0.403 | 56% | 0.564 | S | S | . | * | trans | -63.3 | 151.2 | 179.2 | -18 | 32.1 | 0 | 0 | 0 | 111.5 | R219 E229 | P217-R219 PolarHBondContact O-N 3.25Å; P217-E229 HydrophobicContact CG-CB 4.47Å; P217-E229 HydrophobicContact CG-CG 4.29Å | ||
| 218 | D | 78.8 | Confident | 74.7 | Confident | 99 Ų | 99 | 99.9 Ų | 99.9 | 53% | 0.529 | 56% | 0.559 | S | S | . | * | trans | -67.6 | 107.4 | 171.4 | 179.2 | 18.9 | 0 | 0 | 0 | 110.5 | K220 S221 | D218-K220 PolarHBondContact O-N 3.49Å; D218-K220 VanDerWaalsContact O-N 3.09Å; D218-K220 WeakPolarHBondContact OD1-CB 3.28Å; D218-K220 PolarHBondContact OD1-N 2.85Å; D218-S221 VanDerWaalsContact O-CB 3.24Å; D218-S221 WeakPolarHBondContact O-CB 3.47Å; D218-S221 PolarHBondContact O-N 3.45Å | ||
| 219 | R | 82.3 | Confident | 75.9 | Confident | 157 Ų | 157 | 98.3 Ų | 98.3 | 59% | 0.592 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -5.3 | 177.5 | -53.8 | -166.3 | 177.4 | 154.2 | 2 | 113.9 | P217 W224 E229 | P217-R219 PolarHBondContact O-N 3.25Å; R219-W224 HydrophobicContact CB-CD2 4.04Å; R219-W224 HydrophobicContact CB-CE3 4.42Å; R219-W224 HydrophobicContact CB-CG 4.39Å; R219-W224 HydrophobicContact CB-CZ2 4.22Å; R219-W224 HydrophobicContact CG-CD2 4.28Å; R219-W224 HydrophobicContact CG-CZ2 3.89Å; R219-E229 IonicContact CZ-OE1 3.27Å; R219-E229 VanDerWaalsContact CZ-OE1 3.27Å; R219-E229 IonicContact CZ-OE2 3.82Å; R219-E229 IonicContact NE-OE1 3.08Å; R219-E229 PolarHBondContact NE-OE1 3.19Å; R219-E229 VanDerWaalsContact NE-OE1 3.08Å; R219-E229 IonicContact NE-OE2 2.99Å; R219-E229 PolarHBondContact NE-OE2 3.32Å; R219-E229 IonicContact NH2-OE1 2.66Å; R219-E229 PolarHBondContact NH2-OE1 2.83Å; R219-E229 IonicContact NH2-OE2 3.86Å |
| 220 | K | 76.7 | Confident | 76.9 | Confident | 190 Ų | 190 | 99.9 Ų | 99.9 | 83% | 0.826 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -8.4 | 171.3 | -56.9 | 177.1 | -178 | 176.8 | 0 | 113.2 | D218 | D218-K220 PolarHBondContact O-N 3.49Å; D218-K220 VanDerWaalsContact O-N 3.09Å; D218-K220 WeakPolarHBondContact OD1-CB 3.28Å; D218-K220 PolarHBondContact OD1-N 2.85Å |
| 221 | S | 80.4 | Confident | 77.8 | Confident | 57 Ų | 57 | 101.8 Ų | 101.8 | 40% | 0.399 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -69.9 | 136.2 | 176 | -179.6 | 0 | 0 | 0 | 0 | 111.4 | D218 A223 W224 | D218-S221 VanDerWaalsContact O-CB 3.24Å; D218-S221 WeakPolarHBondContact O-CB 3.47Å; D218-S221 PolarHBondContact O-N 3.45Å; S221-A223 PolarHBondContact O-N 2.99Å; S221-A223 VanDerWaalsContact O-N 3.11Å; S221-A223 PolarHBondContact OG-N 3.15Å; S221-W224 WeakPolarHBondContact O-CB 3.5Å; S221-W224 PolarHBondContact O-N 3.44Å |
| 222 | A | 74.9 | Confident | 78.7 | Confident | 116 Ų | 116 | 94 Ų | 94 | 96% | 0.959 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -11.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 223 | A | 77.9 | Confident | 79.5 | Confident | 88 Ų | 88 | 93.4 Ų | 93.4 | 73% | 0.727 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 1.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S221 | S221-A223 PolarHBondContact O-N 2.99Å; S221-A223 VanDerWaalsContact O-N 3.11Å; S221-A223 PolarHBondContact OG-N 3.15Å |
| 224 | W | 86.6 | Confident | 80.1 | Confident | 95 Ų | 95 | 88 Ų | 88 | 36% | 0.36 | 48% | 0.48 | S | S | . | . | trans | -65.6 | 137.9 | 177.7 | 179.6 | 63.9 | 0 | 0 | 0 | 111.5 | R219 S221 P226 E229 | R219-W224 HydrophobicContact CB-CD2 4.04Å; R219-W224 HydrophobicContact CB-CE3 4.42Å; R219-W224 HydrophobicContact CB-CG 4.39Å; R219-W224 HydrophobicContact CB-CZ2 4.22Å; R219-W224 HydrophobicContact CG-CD2 4.28Å; R219-W224 HydrophobicContact CG-CZ2 3.89Å; S221-W224 WeakPolarHBondContact O-CB 3.5Å; S221-W224 PolarHBondContact O-N 3.44Å; W224-P226 HydrophobicContact CE3-CG 4.36Å; W224-P226 HydrophobicContact CH2-CB 4.29Å; W224-P226 HydrophobicContact CH2-CG 3.69Å; W224-P226 HydrophobicContact CZ2-CB 4.2Å; W224-P226 HydrophobicContact CZ2-CG 3.96Å; W224-P226 HydrophobicContact CZ3-CG 3.9Å; W224-E229 PolarHBondContact NE1-OE2 3.27Å | ||
| 225 | N | 82.6 | Confident | 80.5 | Confident | 69 Ų | 69 | 87.9 Ų | 87.9 | 37% | 0.369 | 48% | 0.476 | S | S | . | . | trans | -136.8 | 114.3 | 178.3 | -179.1 | -42.6 | 0 | 0 | 0 | 108.6 | N227 K228 E229 | N225-N227 VanDerWaalsContact C-N 3.25Å; N225-N227 PolarHBondContact O-N 3.39Å; N225-N227 WeakPolarHBondContact OD1-CB 3.49Å; N225-N227 PolarHBondContact OD1-N 3.48Å; N225-K228 HydrophobicContact CB-CB 4.11Å; N225-K228 HydrophobicContact CB-CD 4.34Å; N225-K228 HydrophobicContact CB-CG 4.12Å; N225-K228 PolarHBondContact O-N 3.35Å; N225-K228 VanDerWaalsContact O-N 3.12Å; N225-K228 PolarHBondContact OD1-N 3.42Å; N225-E229 PolarHBondContact O-N 3.34Å; N225-E229 VanDerWaalsContact O-N 3.1Å | ||
| 226 | P | 83.8 | Confident | 80.8 | Confident | 69 Ų | 69 | 88.3 Ų | 88.3 | 45% | 0.448 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -55.7 | -38.6 | -177.3 | -24.7 | 31.1 | 0 | 0 | 0 | 113.5 | W224 E229 Y230 | W224-P226 HydrophobicContact CE3-CG 4.36Å; W224-P226 HydrophobicContact CH2-CB 4.29Å; W224-P226 HydrophobicContact CH2-CG 3.69Å; W224-P226 HydrophobicContact CZ2-CB 4.2Å; W224-P226 HydrophobicContact CZ2-CG 3.96Å; W224-P226 HydrophobicContact CZ3-CG 3.9Å; P226-E229 PolarHBondContact O-N 3.46Å; P226-Y230 WeakPolarHBondContact O-CB 3.2Å; P226-Y230 PolarHBondContact O-N 3.11Å |
| 227 | N | 83.1 | Confident | 81.3 | Confident | 120 Ų | 120 | 87.1 Ų | 87.1 | 64% | 0.642 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -71.5 | -33.8 | -177.2 | -60.2 | 3.9 | 0 | 0 | 0 | 111 | N225 Y230 E231 | N225-N227 VanDerWaalsContact C-N 3.25Å; N225-N227 PolarHBondContact O-N 3.39Å; N225-N227 WeakPolarHBondContact OD1-CB 3.49Å; N225-N227 PolarHBondContact OD1-N 3.48Å; N227-Y230 PolarHBondContact O-N 3.18Å; N227-E231 WeakPolarHBondContact O-CG 3.48Å; N227-E231 PolarHBondContact O-N 2.73Å |
| 228 | K | 84.8 | Confident | 81.4 | Confident | 157 Ų | 157 | 91.2 Ų | 91.2 | 68% | 0.683 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -70.3 | -38.3 | 173.4 | -72.4 | -166.6 | 170.9 | -166.4 | 0 | 112.4 | N225 A232 | N225-K228 HydrophobicContact CB-CB 4.11Å; N225-K228 HydrophobicContact CB-CD 4.34Å; N225-K228 HydrophobicContact CB-CG 4.12Å; N225-K228 PolarHBondContact O-N 3.35Å; N225-K228 VanDerWaalsContact O-N 3.12Å; N225-K228 PolarHBondContact OD1-N 3.42Å; K228-A232 VanDerWaalsContact O-CB 3.29Å; K228-A232 WeakPolarHBondContact O-CB 3.35Å; K228-A232 PolarHBondContact O-N 3.19Å |
| 229 | E | 85.9 | Confident | 80.6 | Confident | 16 Ų | 16 | 90.5 Ų | 90.5 | 8% | 0.075 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 172.9 | -173.5 | -179.7 | 164.8 | 0 | 0 | 110.7 | P217 R219 W224 N225 P226 A232 L233 | P217-E229 HydrophobicContact CG-CB 4.47Å; P217-E229 HydrophobicContact CG-CG 4.29Å; R219-E229 IonicContact CZ-OE1 3.27Å; R219-E229 VanDerWaalsContact CZ-OE1 3.27Å; R219-E229 IonicContact CZ-OE2 3.82Å; R219-E229 IonicContact NE-OE1 3.08Å; R219-E229 PolarHBondContact NE-OE1 3.19Å; R219-E229 VanDerWaalsContact NE-OE1 3.08Å; R219-E229 IonicContact NE-OE2 2.99Å; R219-E229 PolarHBondContact NE-OE2 3.32Å; R219-E229 IonicContact NH2-OE1 2.66Å; R219-E229 PolarHBondContact NH2-OE1 2.83Å; R219-E229 IonicContact NH2-OE2 3.86Å; W224-E229 PolarHBondContact NE1-OE2 3.27Å; N225-E229 PolarHBondContact O-N 3.34Å; N225-E229 VanDerWaalsContact O-N 3.1Å; P226-E229 PolarHBondContact O-N 3.46Å; E229-A232 PolarHBondContact O-N 3.16Å; E229-L233 HydrophobicContact CG-CD1 4.07Å; E229-L233 WeakPolarHBondContact O-CB 3.44Å; E229-L233 VanDerWaalsContact O-CG 3.29Å; E229-L233 WeakPolarHBondContact O-CG 3.38Å; E229-L233 PolarHBondContact O-N 3.48Å |
| 230 | Y | 83.9 | Confident | 79.6 | Confident | 144 Ų | 144 | 90.7 Ų | 90.7 | 57% | 0.565 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61 | -48.5 | 177.4 | -177.4 | -105 | 0 | 0 | 0 | 112.9 | P226 N227 A232 L233 L234 | P226-Y230 WeakPolarHBondContact O-CB 3.2Å; P226-Y230 PolarHBondContact O-N 3.11Å; N227-Y230 PolarHBondContact O-N 3.18Å; Y230-A232 PolarHBondContact O-N 3.19Å; Y230-L233 PolarHBondContact O-N 2.9Å; Y230-L234 HydrophobicContact CD1-CD1 4.05Å; Y230-L234 HydrophobicContact CD1-CG 4.46Å; Y230-L234 HydrophobicContact CE1-CD1 3.48Å; Y230-L234 VanDerWaalsContact CE1-CD1 3.48Å; Y230-L234 HydrophobicContact CE1-CG 4.11Å; Y230-L234 WeakPolarHBondContact O-CG 3.41Å; Y230-L234 PolarHBondContact O-N 2.85Å |
| 231 | E | 83 | Confident | 78.8 | Confident | 79 Ų | 79 | 85.3 Ų | 85.3 | 37% | 0.369 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 176.7 | -71.7 | -59 | 151.1 | 0 | 0 | 112.3 | N227 L233 L234 D235 R241 | N227-E231 WeakPolarHBondContact O-CG 3.48Å; N227-E231 PolarHBondContact O-N 2.73Å; E231-L233 VanDerWaalsContact C-N 3.3Å; E231-L233 PolarHBondContact O-N 3.24Å; E231-L234 WeakPolarHBondContact O-CB 3.32Å; E231-L234 PolarHBondContact O-N 3.29Å; E231-L234 VanDerWaalsContact O-N 3.11Å; E231-D235 PolarHBondContact O-N 3.08Å; E231-R241 PolarHBondContact O-NH2 3.4Å; E231-R241 IonicContact OE2-CZ 2.88Å; E231-R241 IonicContact OE2-NH1 3.99Å; E231-R241 PolarHBondContact OE2-NH1 2.89Å; E231-R241 IonicContact OE2-NH2 2.65Å; E231-R241 PolarHBondContact OE2-NH2 3.48Å |
| 232 | A | 80.6 | Confident | 77.3 | Confident | 35 Ų | 35 | 89.3 Ų | 89.3 | 29% | 0.289 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.3 | -32.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P215 K228 E229 Y230 Y236 | P215-A232 HydrophobicContact CB-CB 4.21Å; P215-A232 HydrophobicContact CG-CB 3.7Å; P215-A232 WeakPolarHBondContact CG-O 3.36Å; K228-A232 VanDerWaalsContact O-CB 3.29Å; K228-A232 WeakPolarHBondContact O-CB 3.35Å; K228-A232 PolarHBondContact O-N 3.19Å; E229-A232 PolarHBondContact O-N 3.16Å; Y230-A232 PolarHBondContact O-N 3.19Å; A232-Y236 VanDerWaalsContact O-CB 3.28Å; A232-Y236 WeakPolarHBondContact O-CB 3.5Å; A232-Y236 PolarHBondContact O-N 3.39Å |
| 233 | L | 84.7 | Confident | 76.2 | Confident | 58 Ų | 58 | 87 Ų | 87 | 30% | 0.304 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -71.7 | -33.4 | 171.4 | -72.1 | 169.6 | 0 | 0 | 0 | 112.2 | P214 P215 E229 Y230 E231 T237 | P214-L233 HydrophobicContact CB-CD2 3.96Å; P215-L233 HydrophobicContact CG-CD2 4.42Å; E229-L233 HydrophobicContact CG-CD1 4.07Å; E229-L233 WeakPolarHBondContact O-CB 3.44Å; E229-L233 VanDerWaalsContact O-CG 3.29Å; E229-L233 WeakPolarHBondContact O-CG 3.38Å; E229-L233 PolarHBondContact O-N 3.48Å; Y230-L233 PolarHBondContact O-N 2.9Å; E231-L233 VanDerWaalsContact C-N 3.3Å; E231-L233 PolarHBondContact O-N 3.24Å; L233-T237 WeakPolarHBondContact O-CB 3.12Å; L233-T237 PolarHBondContact O-N 3.19Å; L233-T237 PolarHBondContact O-OG1 3.27Å |
| 234 | L | 81.8 | Confident | 74.8 | Confident | 39 Ų | 39 | 89.3 Ų | 89.3 | 20% | 0.204 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -69.1 | -43.7 | 172.7 | -71.5 | -176.4 | 0 | 0 | 0 | 112.2 | Y230 E231 Y236 T237 Y238 | Y230-L234 HydrophobicContact CD1-CD1 4.05Å; Y230-L234 HydrophobicContact CD1-CG 4.46Å; Y230-L234 HydrophobicContact CE1-CD1 3.48Å; Y230-L234 VanDerWaalsContact CE1-CD1 3.48Å; Y230-L234 HydrophobicContact CE1-CG 4.11Å; Y230-L234 WeakPolarHBondContact O-CG 3.41Å; Y230-L234 PolarHBondContact O-N 2.85Å; E231-L234 WeakPolarHBondContact O-CB 3.32Å; E231-L234 PolarHBondContact O-N 3.29Å; E231-L234 VanDerWaalsContact O-N 3.11Å; L234-Y236 VanDerWaalsContact C-N 3.33Å; L234-Y236 PolarHBondContact O-N 2.9Å; L234-T237 PolarHBondContact O-N 2.96Å; L234-Y238 HydrophobicContact CD2-CD2 4.45Å; L234-Y238 HydrophobicContact CD2-CE2 4.4Å; L234-Y238 WeakPolarHBondContact O-CB 3.39Å; L234-Y238 PolarHBondContact O-N 3.47Å |
| 235 | D | 80.9 | Confident | 72.7 | Confident | 46 Ų | 46 | 91.9 Ų | 91.9 | 25% | 0.246 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -64.2 | -37.9 | 174.4 | -75.9 | -41 | 0 | 0 | 0 | 112 | E231 Y238 P239 R241 | E231-D235 PolarHBondContact O-N 3.08Å; D235-Y238 CarbonylContact O-C 3.38Å; D235-P239 WeakPolarHBondContact O-CA 3.38Å; D235-R241 IonicContact OD1-CZ 2.71Å; D235-R241 IonicContact OD1-NE 2.76Å; D235-R241 PolarHBondContact OD1-NE 3.26Å; D235-R241 IonicContact OD1-NH2 3.08Å; D235-R241 PolarHBondContact OD1-NH2 2.99Å; D235-R241 IonicContact OD2-CZ 2.91Å; D235-R241 IonicContact OD2-NH2 3.2Å; D235-R241 PolarHBondContact OD2-NH2 3.45Å |
| 236 | Y | 80.3 | Confident | 70.7 | Confident | 58 Ų | 58 | 91.4 Ų | 91.4 | 23% | 0.227 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 172.5 | 177.1 | -87.9 | 0 | 0 | 0 | 112.2 | P210 A212 P214 A232 L234 | P210-Y236 HydrophobicContact CB-CD2 4.14Å; P210-Y236 HydrophobicContact CB-CE2 3.71Å; P210-Y236 HydrophobicContact CG-CD2 4.05Å; P210-Y236 HydrophobicContact CG-CE1 4.49Å; P210-Y236 HydrophobicContact CG-CE2 3.92Å; P210-Y236 HydrophobicContact CG-CG 4.4Å; P210-Y236 WeakPolarHBondContact CG-O 3.47Å; A212-Y236 PolarHBondContact O-OH 2.89Å; A212-Y236 VanDerWaalsContact O-OH 3.05Å; P214-Y236 HydrophobicContact CB-CD1 3.98Å; P214-Y236 HydrophobicContact CB-CD2 4.39Å; P214-Y236 HydrophobicContact CB-CE1 3.85Å; P214-Y236 HydrophobicContact CB-CE2 4.23Å; P214-Y236 HydrophobicContact CB-CG 4.26Å; A232-Y236 VanDerWaalsContact O-CB 3.28Å; A232-Y236 WeakPolarHBondContact O-CB 3.5Å; A232-Y236 PolarHBondContact O-N 3.39Å; L234-Y236 VanDerWaalsContact C-N 3.33Å; L234-Y236 PolarHBondContact O-N 2.9Å |
| 237 | T | 78.2 | Confident | 68.5 | Low | 76 Ų | 76 | 98.8 Ų | 98.8 | 47% | 0.466 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -76.4 | -26.3 | -177.5 | -51.4 | 0 | 0 | 0 | 0 | 112.3 | L233 L234 | L233-T237 WeakPolarHBondContact O-CB 3.12Å; L233-T237 PolarHBondContact O-N 3.19Å; L233-T237 PolarHBondContact O-OG1 3.27Å; L234-T237 PolarHBondContact O-N 2.96Å |
| 238 | Y | 78.4 | Confident | 66.4 | Low | 147 Ų | 147 | 101 Ų | 101 | 58% | 0.576 | 52% | 0.517 | S | S | * | . | trans | -134.4 | 73.9 | -177.8 | -57 | -74.2 | 0 | 0 | 0 | 111.6 | L234 D235 L240 R241 | L234-Y238 HydrophobicContact CD2-CD2 4.45Å; L234-Y238 HydrophobicContact CD2-CE2 4.4Å; L234-Y238 WeakPolarHBondContact O-CB 3.39Å; L234-Y238 PolarHBondContact O-N 3.47Å; D235-Y238 CarbonylContact O-C 3.38Å; Y238-L240 PolarHBondContact O-N 3.31Å; Y238-R241 WeakPolarHBondContact O-CG 3.39Å; Y238-R241 PolarHBondContact O-N 3.16Å | ||
| 239 | P | 62.5 | Low | 64.1 | Low | 84 Ų | 84 | 104.6 Ų | 104.6 | 55% | 0.545 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -0.6 | -174.2 | -25.2 | 36.1 | 0 | 0 | 0 | 116.7 | P210 D235 | P210-P239 HydrophobicContact CG-CG 4.1Å; D235-P239 WeakPolarHBondContact O-CA 3.38Å |
| 240 | L | 59.8 | Low | 61.7 | Low | 162 Ų | 162 | 110.5 Ų | 110.5 | 85% | 0.848 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | 13.4 | -176.2 | -57.2 | 177.9 | 0 | 0 | 0 | 113.4 | Y238 P242 | Y238-L240 PolarHBondContact O-N 3.31Å; L240-P242 WeakPolarHBondContact O-CD 3.31Å |
| 241 | R | 60.2 | Low | 59.2 | Low | 77 Ų | 77 | 108 Ų | 108 | 29% | 0.291 | 56% | 0.562 | S | S | . | * | trans | -61.7 | 113.4 | 178.9 | -64.2 | -154.3 | -61.5 | 173.1 | 2 | 111.4 | E231 D235 Y238 G243 | E231-R241 PolarHBondContact O-NH2 3.4Å; E231-R241 IonicContact OE2-CZ 2.88Å; E231-R241 IonicContact OE2-NH1 3.99Å; E231-R241 PolarHBondContact OE2-NH1 2.89Å; E231-R241 IonicContact OE2-NH2 2.65Å; E231-R241 PolarHBondContact OE2-NH2 3.48Å; D235-R241 IonicContact OD1-CZ 2.71Å; D235-R241 IonicContact OD1-NE 2.76Å; D235-R241 PolarHBondContact OD1-NE 3.26Å; D235-R241 IonicContact OD1-NH2 3.08Å; D235-R241 PolarHBondContact OD1-NH2 2.99Å; D235-R241 IonicContact OD2-CZ 2.91Å; D235-R241 IonicContact OD2-NH2 3.2Å; D235-R241 PolarHBondContact OD2-NH2 3.45Å; Y238-R241 WeakPolarHBondContact O-CG 3.39Å; Y238-R241 PolarHBondContact O-N 3.16Å; R241-G243 PolarHBondContact O-N 3.17Å | ||
| 242 | P | 49 | Very low | 57.2 | Low | 141 Ų | 141 | 110.9 Ų | 110.9 | 92% | 0.916 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 93.1 | 178.4 | -10 | 28.4 | 0 | 0 | 0 | 109.6 | L240 | L240-P242 WeakPolarHBondContact O-CD 3.31Š|
| 243 | G | 51.2 | Low | 55.1 | Low | 66 Ų | 66 | 118.2 Ų | 118.2 | 68% | 0.68 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 162.9 | -12.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | R241 | R241-G243 PolarHBondContact O-N 3.17Š|
| 244 | H | 49.4 | Very low | 52.7 | Low | 137 Ų | 137 | 123.6 Ų | 123.6 | 63% | 0.634 | 64% | 0.642 | S | S | * | * | trans | -128.4 | 76.3 | 178.6 | -105 | 36.9 | 0 | 0 | 0 | 113 | S246 | H244-S246 PolarHBondContact O-N 3.46Å; H244-S246 VanDerWaalsContact O-N 3.09Å | ||
| 245 | V | 43.1 | Very low | 50.5 | Low | 149 Ų | 149 | 130.7 Ų | 130.7 | 90% | 0.903 | 67% | 0.674 | S | S | * | * | trans | -71.6 | 98.8 | 161.6 | -170.1 | 0 | 0 | 0 | 0 | 107.4 | R247 | V245-R247 PolarHBondContact O-N 3.3Š| ||
| 246 | S | 39.7 | Very low | 48.3 | Very low | 59 Ų | 59 | 137.2 Ų | 137.2 | 41% | 0.413 | 70% | 0.703 | S | S | . | * | trans | -60.3 | 121.7 | -178.2 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | H244 E248 | H244-S246 PolarHBondContact O-N 3.46Å; H244-S246 VanDerWaalsContact O-N 3.09Å; S246-E248 PolarHBondContact O-N 2.99Å; S246-E248 PolarHBondContact OG-N 3.42Å | ||
| 247 | R | 37.8 | Very low | 46.4 | Very low | 225 Ų | 225 | 141.4 Ų | 141.4 | 85% | 0.849 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -68.2 | -12.9 | 179.2 | -174.7 | 172.3 | -74.7 | -174.1 | -3.6 | 112.9 | V245 | V245-R247 PolarHBondContact O-N 3.3Š|
| 248 | E | 39.5 | Very low | 44.3 | Very low | 167 Ų | 167 | 148.5 Ų | 148.5 | 78% | 0.78 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -85.2 | -6.5 | -173.9 | -93.2 | 159.2 | 176.3 | 0 | 0 | 115.2 | S246 N250 | S246-E248 PolarHBondContact O-N 2.99Å; S246-E248 PolarHBondContact OG-N 3.42Å; E248-N250 PolarHBondContact O-N 3.09Å |
| 249 | W | 36.3 | Very low | 42.6 | Very low | 232 Ų | 232 | 149.4 Ų | 149.4 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -71 | -8.8 | 169 | -79.1 | 81.7 | 0 | 0 | 0 | 113.6 | S251 | W249-S251 PolarHBondContact O-N 3.02Š|
| 250 | N | 34.5 | Very low | 41.4 | Very low | 139 Ų | 139 | 153 Ų | 153 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | trans | -95 | 66 | 177.3 | -65.7 | -29.2 | 0 | 0 | 0 | 111.2 | E248 | E248-N250 PolarHBondContact O-N 3.09Š| ||
| 251 | S | 31.3 | Very low | 40.2 | Very low | 92 Ų | 92 | 155 Ų | 155 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -150.2 | 84.4 | 175.2 | -76.3 | 0 | 0 | 0 | 0 | 112.9 | W249 | W249-S251 PolarHBondContact O-N 3.02Š|
| 252 | T | 42.4 | Very low | 39 | Very low | 139 Ų | 139 | 158.1 Ų | 158.1 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 42.6 | 77.6 | 150 | 49.2 | 0 | 0 | 0 | 0 | 118.1 | ||
| 253 | E | 35.5 | Very low | 38.3 | Very low | 189 Ų | 189 | 155.7 Ų | 155.7 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | S | Bend | -165 | 160.6 | 125.8 | -105.5 | 165.3 | -162.7 | 0 | 0 | 108.9 | Q255 | E253-Q255 PolarHBondContact O-N 3.07Š| |
| 254 | L | 35.5 | Very low | 38.1 | Very low | 171 Ų | 171 | 158.7 Ų | 158.7 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | trans | 61.8 | 31.6 | -174.4 | -63.8 | 173.5 | 0 | 0 | 0 | 117.2 | E256 | L254-E256 PolarHBondContact O-N 3.17Š| ||
| 255 | Q | 34.6 | Very low | 37.7 | Very low | 189 Ų | 189 | 157.4 Ų | 157.4 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -84.3 | 84.9 | 158.5 | -176.3 | 174.2 | -7 | 0 | 0 | 110.5 | E253 | E253-Q255 PolarHBondContact O-N 3.07Š| ||
| 256 | E | 35.2 | Very low | 37.6 | Very low | 182 Ų | 182 | 159 Ų | 159 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -159.7 | -39.6 | 157.7 | -120 | 161 | -144.2 | 0 | 0 | 115 | L254 Y258 | L254-E256 PolarHBondContact O-N 3.17Å; E256-Y258 PolarHBondContact O-N 3.18Å |
| 257 | D | 39.4 | Very low | 38 | Very low | 146 Ų | 146 | 165.5 Ų | 165.5 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -88.6 | 2.2 | -161.4 | -86.4 | -36 | 0 | 0 | 0 | 118.9 | ||
| 258 | Y | 34.9 | Very low | 37.8 | Very low | 225 Ų | 225 | 161.8 Ų | 161.8 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | -114 | 31.9 | -173.3 | -84.8 | -79.6 | 0 | 0 | 0 | 116 | E256 L260 | E256-Y258 PolarHBondContact O-N 3.18Å; Y258-L260 VanDerWaalsContact C-N 3.28Å; Y258-L260 PolarHBondContact O-N 3.35Å | ||
| 259 | L | 41.9 | Very low | 38.3 | Very low | 166 Ų | 166 | 159.5 Ų | 159.5 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | trans | -85 | 30.8 | 179.7 | -109.7 | 174.5 | 0 | 0 | 0 | 115.3 | ||||
| 260 | L | 37.8 | Very low | 38.5 | Very low | 159 Ų | 159 | 150.8 Ų | 150.8 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -135.9 | 125.4 | 179.6 | -71.8 | 176.2 | 0 | 0 | 0 | 114.2 | Y258 | Y258-L260 VanDerWaalsContact C-N 3.28Å; Y258-L260 PolarHBondContact O-N 3.35Å |
| 261 | R | 34.6 | Very low | 39.2 | Very low | 205 Ų | 205 | 151.6 Ų | 151.6 | 77% | 0.774 | 79% | 0.788 | S | S | * | * | trans | 57.5 | 88.6 | 167.6 | -68.5 | -170.6 | 112.5 | -171 | 6.1 | 118.2 | E263 | R261-E263 IonicContact CZ-OE1 3.91Å; R261-E263 IonicContact NE-OE1 2.89Å; R261-E263 PolarHBondContact NE-OE1 3.33Å; R261-E263 IonicContact NH2-OE1 3.88Å; R261-E263 PolarHBondContact NH2-OE1 3Å | ||
| 262 | T | 34.8 | Very low | 39.8 | Very low | 143 Ų | 143 | 155.9 Ų | 155.9 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | -95.9 | 107.9 | 140.5 | -50.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 263 | E | 34.4 | Very low | 39.8 | Very low | 90 Ų | 90 | 155.4 Ų | 155.4 | 42% | 0.421 | 79% | 0.789 | S | S | . | * | trans | -82.2 | 124.3 | 177.7 | -76.8 | -72.7 | 163.9 | 0 | 0 | 110.7 | R261 N265 | R261-E263 IonicContact CZ-OE1 3.91Å; R261-E263 IonicContact NE-OE1 2.89Å; R261-E263 PolarHBondContact NE-OE1 3.33Å; R261-E263 IonicContact NH2-OE1 3.88Å; R261-E263 PolarHBondContact NH2-OE1 3Å; E263-N265 PolarHBondContact O-N 3.23Å | ||
| 264 | P | 46.6 | Very low | 40 | Very low | 128 Ų | 128 | 154 Ų | 154 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | 38.9 | -170.3 | 36.3 | -38.4 | 0 | 0 | 0 | 113.4 | ||
| 265 | N | 41 | Very low | 40.2 | Very low | 111 Ų | 111 | 153.9 Ų | 153.9 | 59% | 0.594 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.7 | 0.6 | -169.7 | 70.3 | 6.9 | 0 | 0 | 0 | 116.6 | E263 K267 | E263-N265 PolarHBondContact O-N 3.23Å; N265-K267 VanDerWaalsContact C-N 3.33Å; N265-K267 PolarHBondContact O-N 2.88Å |
| 266 | M | 42.8 | Very low | 40.2 | Very low | 183 Ų | 183 | 152.6 Ų | 152.6 | 90% | 0.901 | 78% | 0.781 | S | S | * | * | trans | -71.8 | 88.2 | 171.2 | -76.4 | -171.7 | 65.6 | 0 | 0 | 110.8 | D268 | M266-D268 PolarHBondContact O-N 3.38Š| ||
| 267 | K | 46.6 | Very low | 40 | Very low | 194 Ų | 194 | 150 Ų | 150 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -71 | 116 | 164.5 | -69.1 | -167.8 | 174.4 | -166.4 | 0 | 109.1 | N265 | N265-K267 VanDerWaalsContact C-N 3.33Å; N265-K267 PolarHBondContact O-N 2.88Å | ||
| 268 | D | 34.8 | Very low | 39.6 | Very low | 147 Ų | 147 | 148.1 Ų | 148.1 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -60.4 | 143.5 | 166.5 | -172.4 | 15 | 0 | 0 | 0 | 109.8 | M266 G270 | M266-D268 PolarHBondContact O-N 3.38Å; D268-G270 VanDerWaalsContact C-N 3.26Å; D268-G270 PolarHBondContact OD1-N 2.65Å | ||
| 269 | S | 50 | Low | 39.4 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -99.1 | 40.2 | 174.5 | -61.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 270 | G | 41.1 | Very low | 38.6 | Very low | 50 Ų | 50 | 139.4 Ų | 139.4 | 52% | 0.515 | 77% | 0.771 | S | S | . | * | trans | -67.7 | 144.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D268 E272 | D268-G270 VanDerWaalsContact C-N 3.26Å; D268-G270 PolarHBondContact OD1-N 2.65Å; G270-E272 PolarHBondContact O-N 3.33Å; G270-E272 VanDerWaalsContact O-N 3.15Å | ||
| 271 | I | 47.3 | Very low | 38.1 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 80% | 0.795 | 77% | 0.768 | S | S | * | * | trans | -71.3 | 105 | 173.4 | 45.2 | 164.2 | 0 | 0 | 0 | 110 | L273 | I271-L273 PolarHBondContact O-N 2.99Å; I271-L273 VanDerWaalsContact O-N 3.11Å | ||
| 272 | E | 45.1 | Very low | 37.8 | Very low | 182 Ų | 182 | 135 Ų | 135 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | -64.8 | 110 | 171.3 | -170.1 | 167 | -161.3 | 0 | 0 | 108.8 | G270 | G270-E272 PolarHBondContact O-N 3.33Å; G270-E272 VanDerWaalsContact O-N 3.15Å | ||
| 273 | L | 41.9 | Very low | 37.5 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 68% | 0.681 | 77% | 0.766 | S | S | * | * | trans | -77.9 | 120.3 | 175.9 | -71.5 | 170.9 | 0 | 0 | 0 | 108.3 | I271 H275 | I271-L273 PolarHBondContact O-N 2.99Å; I271-L273 VanDerWaalsContact O-N 3.11Å; L273-H275 PolarHBondContact O-CD2 3.38Å; L273-H275 PolarHBondContact O-N 3.41Å | ||
| 274 | D | 40.8 | Very low | 37.1 | Very low | 160 Ų | 160 | 132.2 Ų | 132.2 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | -52 | 96.1 | -179.4 | -74.4 | -59.1 | 0 | 0 | 0 | 112.1 | L276 | D274-L276 PolarHBondContact O-N 3.45Š| ||
| 275 | H | 39.1 | Very low | 36.4 | Very low | 168 Ų | 168 | 136.6 Ų | 136.6 | 78% | 0.778 | 79% | 0.785 | S | S | * | * | trans | -68.7 | 114.4 | 172.4 | -75.7 | -70.8 | 0 | 0 | 0 | 108.7 | L273 C277 | L273-H275 PolarHBondContact O-CD2 3.38Å; L273-H275 PolarHBondContact O-N 3.41Å; H275-C277 PolarHBondContact O-N 2.95Å | ||
| 276 | L | 34 | Very low | 36 | Very low | 161 Ų | 161 | 138.1 Ų | 138.1 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -53.1 | 97.1 | -174.1 | -68.9 | 170.7 | 0 | 0 | 0 | 112.2 | D274 S278 | D274-L276 PolarHBondContact O-N 3.45Å; L276-S278 PolarHBondContact O-N 3.32Å; L276-S278 PolarHBondContact O-OG 2.84Å | ||
| 277 | C | 31.1 | Very low | 35.5 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | trans | -72.3 | 87.1 | -168.1 | -165 | 0 | 0 | 0 | 0 | 112.1 | H275 | H275-C277 PolarHBondContact O-N 2.95Š| ||
| 278 | S | 31 | Very low | 34.7 | Very low | 106 Ų | 106 | 130.8 Ų | 130.8 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | -106.6 | 76 | -177.1 | -59.4 | 0 | 0 | 0 | 0 | 112 | L276 | L276-S278 PolarHBondContact O-N 3.32Å; L276-S278 PolarHBondContact O-OG 2.84Å | ||
| 279 | S | 31.6 | Very low | 34.4 | Very low | 119 Ų | 119 | 133 Ų | 133 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -167.7 | 152.6 | 148.5 | -86.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 280 | A | 25.3 | Very low | 33.4 | Very low | 89 Ų | 89 | 132.9 Ų | 132.9 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | -92.1 | 175.3 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 281 | S | 26.6 | Very low | 32.8 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | 79 | 110.6 | 156.8 | -56.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 282 | L | 28.2 | Very low | 32 | Very low | 160 Ų | 160 | 130.9 Ų | 130.9 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | -170 | 102 | 114.4 | -91.9 | 164 | 0 | 0 | 0 | 106.4 | |||||
| 283 | S | 28.1 | Very low | 31.2 | Very low | 108 Ų | 108 | 126 Ų | 126 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | 67.1 | 115.3 | 95.2 | 75.3 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 284 | G | 27 | Very low | 30.7 | Very low | 67 Ų | 67 | 131.6 Ų | 131.6 | 69% | 0.691 | 81% | 0.809 | S | S | * | * | trans | 170.3 | 71 | 174 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 285 | F | 31.4 | Very low | 30.2 | Very low | 219 Ų | 219 | 129.4 Ų | 129.4 | 96% | 0.961 | 81% | 0.807 | S | S | * | * | trans | -172.1 | 150.6 | 132.1 | -96.2 | -61.8 | 0 | 0 | 0 | 110.5 | ||||
| 286 | E | 31.3 | Very low | 29.9 | Very low | 144 Ų | 144 | 131.7 Ų | 131.7 | 67% | 0.673 | 81% | 0.808 | S | S | * | * | trans | -62.6 | 152 | -179.7 | -78.6 | -92.6 | -170.4 | 0 | 0 | 112.9 | S288 | E286-S288 WeakPolarHBondContact OE2-CA 3.37Å; E286-S288 PolarHBondContact OE2-N 3.04Å; E286-S288 PolarHBondContact OE2-OG 2.68Å | ||
| 287 | P | 34.1 | Very low | 29.7 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | -132 | 146.5 | 87.3 | 38 | -29.1 | 0 | 0 | 0 | 115 | |||||
| 288 | S | 28.3 | Very low | 29.7 | Very low | 94 Ų | 94 | 133.5 Ų | 133.5 | 66% | 0.657 | 80% | 0.795 | S | S | * | * | trans | -84.9 | 136.2 | -179.9 | -32.5 | 0 | 0 | 0 | 0 | 112.3 | E286 | E286-S288 WeakPolarHBondContact OE2-CA 3.37Å; E286-S288 PolarHBondContact OE2-N 3.04Å; E286-S288 PolarHBondContact OE2-OG 2.68Å | ||
| 289 | E | 30.1 | Very low | 29.5 | Very low | 193 Ų | 193 | 133.5 Ų | 133.5 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -146.3 | 167.4 | 151.9 | -132.1 | -176.7 | 132.8 | 0 | 0 | 112.7 | ||||
| 290 | S | 28.3 | Very low | 29.2 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -64.2 | 170.8 | -163.2 | 72.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 291 | G | 29.2 | Very low | 29.4 | Very low | 75 Ų | 75 | 132.8 Ų | 132.8 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -175.8 | -57 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 292 | G | 28.6 | Very low | 30 | Very low | 88 Ų | 88 | 133.6 Ų | 133.6 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | trans | 69.1 | -175.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 293 | G | 29.3 | Very low | 29.8 | Very low | 79 Ų | 79 | 132.9 Ų | 132.9 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | trans | 126.6 | 90.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 294 | R | 31.3 | Very low | 30.6 | Very low | 247 Ų | 247 | 132 Ų | 132 | 93% | 0.932 | 79% | 0.788 | S | S | * | * | trans | -50.5 | 145.2 | 170.6 | -60.8 | 150.3 | 151.8 | -114 | -0.9 | 112.9 | ||||
| 295 | S | 30.3 | Very low | 30.8 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | 165.4 | 152 | 105.6 | -171.5 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 296 | R | 33.1 | Very low | 30.6 | Very low | 215 Ų | 215 | 131.1 Ų | 131.1 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | trans | -39.3 | 163.8 | 145.1 | -82.9 | 174 | 177.8 | 177 | -0.7 | 114.4 | ||||
| 297 | D | 29.2 | Very low | 30.3 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 65% | 0.647 | 78% | 0.781 | S | S | * | * | cis | -158.9 | 173.3 | 25.2 | -133.2 | -37.4 | 0 | 0 | 0 | 116.2 | ||||
| 298 | R | 31.1 | Very low | 30.1 | Very low | 208 Ų | 208 | 134 Ų | 134 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | 15.2 | 121.8 | 151.2 | -86.2 | 171.1 | 178.7 | -96.7 | 0.8 | 123.8 | ||||
| 299 | S | 28.2 | Very low | 29.9 | Very low | 105 Ų | 105 | 133.2 Ų | 133.2 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | 36 | 130.1 | 120 | 68.8 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 300 | G | 25.3 | Very low | 29.7 | Very low | 79 Ų | 79 | 129.8 Ų | 129.8 | 81% | 0.814 | 78% | 0.775 | S | S | * | * | trans | 159.1 | 121.2 | 148.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 301 | S | 29 | Very low | 29.7 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -80.5 | 154.6 | 153.2 | 56 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 302 | P | 38 | Very low | 29.5 | Very low | 127 Ų | 127 | 132 Ų | 132 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | -149 | -175.3 | 51.2 | 42.2 | -20.9 | 0 | 0 | 0 | 117.8 | |||||
| 303 | D | 24.9 | Very low | 29.6 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | trans | -82.2 | 177.3 | 169.2 | -162.1 | 39.4 | 0 | 0 | 0 | 111 | ||||
| 304 | P | 45.6 | Very low | 30.1 | Very low | 90 Ų | 90 | 135.9 Ų | 135.9 | 58% | 0.584 | 76% | 0.76 | S | S | * | * | cis | -130.2 | -170.2 | -11.5 | 14.1 | 13.4 | 0 | 0 | 0 | 115.9 | ||||
| 305 | Q | 29.3 | Very low | 30.8 | Very low | 177 Ų | 177 | 129.3 Ų | 129.3 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | trans | 88.1 | 149.1 | 160.9 | -48.8 | -160.4 | 14.5 | 0 | 0 | 117.1 | ||||
| 306 | V | 27.6 | Very low | 30.8 | Very low | 91 Ų | 91 | 129.5 Ų | 129.5 | 55% | 0.552 | 75% | 0.749 | S | S | * | * | cis | -156.7 | 151.6 | 10 | 88.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 307 | F | 26.1 | Very low | 30.3 | Very low | 180 Ų | 180 | 125.1 Ų | 125.1 | 79% | 0.789 | 75% | 0.751 | S | S | * | * | trans | 53.8 | 157.3 | 159.1 | -57.1 | -37.5 | 0 | 0 | 0 | 120 | ||||
| 308 | L | 28.6 | Very low | 30.5 | Very low | 153 Ų | 153 | 125.7 Ų | 125.7 | 80% | 0.801 | 76% | 0.759 | S | S | * | * | cis | -168.9 | 165.1 | -14.8 | -104.7 | 169.3 | 0 | 0 | 0 | 105.6 | ||||
| 309 | A | 25.4 | Very low | 31.1 | Very low | 77 Ų | 77 | 121.1 Ų | 121.1 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | cis | -154.7 | 167.7 | 11.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 310 | S | 25.2 | Very low | 30.9 | Very low | 121 Ų | 121 | 124 Ų | 124 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | trans | 65.2 | 146.4 | 167.1 | -65 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 311 | S | 27.6 | Very low | 31 | Very low | 92 Ų | 92 | 125 Ų | 125 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | cis | -140.9 | 153.4 | 4.3 | -151.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 312 | D | 26 | Very low | 31.1 | Very low | 148 Ų | 148 | 127.9 Ų | 127.9 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | trans | 65.2 | 144.3 | 162.3 | -58.8 | -66.1 | 0 | 0 | 0 | 120.1 | ||||
| 313 | V | 30 | Very low | 30.5 | Very low | 135 Ų | 135 | 125.7 Ų | 125.7 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -130.8 | 139.4 | -163.7 | 172.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 314 | P | 40.1 | Very low | 30.8 | Very low | 113 Ų | 113 | 125.6 Ų | 125.6 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | trans | -89.9 | -143.3 | 175.9 | 37.3 | -33.9 | 0 | 0 | 0 | 112.6 | ||||
| 315 | P | 46.5 | Very low | 30.2 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | -120.7 | 176.3 | -108.5 | 40 | -23.7 | 0 | 0 | 0 | 116.3 | |||||
| 316 | C | 29 | Very low | 30.4 | Very low | 118 Ų | 118 | 125.8 Ų | 125.8 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | trans | 68.1 | 120.5 | 161.2 | -64 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 317 | S | 23.3 | Very low | 30.3 | Very low | 124 Ų | 124 | 126.4 Ų | 126.4 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | -174.1 | 135.9 | 127.2 | -81.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 318 | T | 33.5 | Very low | 30.6 | Very low | 132 Ų | 132 | 125.6 Ų | 125.6 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | trans | -68.8 | 166.1 | 156.9 | 43.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 319 | P | 43.6 | Very low | 30.5 | Very low | 112 Ų | 112 | 122.3 Ų | 122.3 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | cis | -155.7 | -158 | 39.2 | 41.2 | -16.1 | 0 | 0 | 0 | 117.4 | ||||
| 320 | L | 24.6 | Very low | 30.7 | Very low | 165 Ų | 165 | 124.4 Ų | 124.4 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | 99.7 | 139.4 | 152.8 | -80.2 | 162.4 | 0 | 0 | 0 | 121.4 | ||||
| 321 | S | 27.2 | Very low | 30.7 | Very low | 102 Ų | 102 | 125.2 Ų | 125.2 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | -105.4 | 163.4 | -166.1 | -32.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 322 | I | 30.2 | Very low | 30.7 | Very low | 175 Ų | 175 | 125.3 Ų | 125.3 | 90% | 0.897 | 76% | 0.761 | S | S | * | * | trans | -176.4 | 146.9 | 153.3 | -99.8 | 147.3 | 0 | 0 | 0 | 108 | ||||
| 323 | A | 27.1 | Very low | 31 | Very low | 81 Ų | 81 | 125.8 Ų | 125.8 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | cis | -162 | 167.7 | -27.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 324 | N | 30.7 | Very low | 30.8 | Very low | 142 Ų | 142 | 126 Ų | 126 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | trans | -38.7 | 148.1 | 179.1 | -48.2 | -37.8 | 0 | 0 | 0 | 119.7 | ||||
| 325 | L | 32.6 | Very low | 30.2 | Very low | 166 Ų | 166 | 125.1 Ų | 125.1 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | -145.1 | 100.2 | 121.5 | -76.8 | -177.8 | 0 | 0 | 0 | 108.1 | |||||
| 326 | T | 33.3 | Very low | 29.5 | Very low | 106 Ų | 106 | 126.5 Ų | 126.5 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | 46.8 | 110.5 | 96 | 55.6 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 327 | S | 26.4 | Very low | 29.7 | Very low | 103 Ų | 103 | 131.9 Ų | 131.9 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | 94.2 | 138.6 | 83.9 | -160.3 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 328 | L | 31.6 | Very low | 30 | Very low | 163 Ų | 163 | 132 Ų | 132 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | cis | -144.6 | -165 | 45.2 | -72.2 | 157.2 | 0 | 0 | 0 | 110.9 | ||||
| 329 | S | 25.9 | Very low | 29.9 | Very low | 84 Ų | 84 | 136.5 Ų | 136.5 | 59% | 0.587 | 76% | 0.757 | S | S | * | * | 166.1 | 145.3 | -52.5 | -168 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 330 | V | 31.4 | Very low | 29.4 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | 56 | 157.4 | 171.7 | -68.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 331 | D | 24.9 | Very low | 29.5 | Very low | 138 Ų | 138 | 131.2 Ų | 131.2 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | cis | -149.4 | 147.1 | -10.3 | -110.7 | -32.3 | 0 | 0 | 0 | 106.6 | ||||
| 332 | S | 27.6 | Very low | 30.1 | Very low | 95 Ų | 95 | 132.3 Ų | 132.3 | 66% | 0.664 | 76% | 0.761 | S | S | * | * | 72.9 | 150.8 | 76.9 | -158 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 333 | L | 30.8 | Very low | 30.2 | Very low | 157 Ų | 157 | 131 Ų | 131 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | trans | 74.8 | 149.8 | 176.6 | -56.5 | -179.2 | 0 | 0 | 0 | 118.3 | ||||
| 334 | D | 26.8 | Very low | 30.7 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | cis | -162.8 | -175.3 | -29.9 | -153.2 | -5.3 | 0 | 0 | 0 | 111.9 | ||||
| 335 | C | 27.7 | Very low | 30.7 | Very low | 95 Ų | 95 | 134.2 Ų | 134.2 | 64% | 0.642 | 76% | 0.764 | S | S | * | * | trans | -42.7 | 144.3 | -175.8 | -69.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 336 | T | 30.7 | Very low | 30.7 | Very low | 137 Ų | 137 | 136 Ų | 136 | 84% | 0.84 | 76% | 0.759 | S | S | * | * | trans | 33.4 | 136.5 | 135.2 | 67.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 337 | R | 33.4 | Very low | 30.6 | Very low | 232 Ų | 232 | 137.2 Ų | 137.2 | 88% | 0.875 | 76% | 0.762 | S | S | * | * | -160.1 | 158.9 | 118.7 | -149.4 | 159 | -170.9 | 167.3 | 6.1 | 115 | |||||
| 338 | D | 30.1 | Very low | 30.8 | Very low | 127 Ų | 127 | 135.4 Ų | 135.4 | 68% | 0.679 | 76% | 0.759 | S | S | * | * | trans | -78.4 | 162.6 | 173.2 | 0.2 | -124.9 | 0 | 0 | 0 | 114 | ||||
| 339 | R | 32.2 | Very low | 30.8 | Very low | 225 Ų | 225 | 135 Ų | 135 | 85% | 0.849 | 76% | 0.757 | S | S | * | * | 150.4 | 125.9 | 107 | -179.2 | 168.4 | -73.4 | -142.6 | -4.7 | 114.8 | |||||
| 340 | A | 31.8 | Very low | 31.2 | Very low | 99 Ų | 99 | 137.4 Ų | 137.4 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | 60.1 | 154.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 341 | G | 27.9 | Very low | 31.4 | Very low | 67 Ų | 67 | 140.8 Ų | 140.8 | 69% | 0.691 | 77% | 0.765 | S | S | * | * | cis | 119 | 107.5 | -4.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 342 | S | 39.6 | Very low | 31.9 | Very low | 125 Ų | 125 | 141 Ų | 141 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | trans | -166.6 | 132.1 | 158.6 | -78.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 343 | D | 32.6 | Very low | 32.1 | Very low | 149 Ų | 149 | 144.1 Ų | 144.1 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | -77.1 | -175.1 | 171.4 | -59.2 | -82.3 | 0 | 0 | 0 | 112.2 | ||||
| 344 | Q | 36.2 | Very low | 32.2 | Very low | 190 Ų | 190 | 144.7 Ų | 144.7 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | trans | 87.6 | 149.1 | 161.8 | -59.6 | 175.6 | 83.4 | 0 | 0 | 117.8 | ||||
| 345 | S | 30.3 | Very low | 32.4 | Very low | 100 Ų | 100 | 142.6 Ų | 142.6 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | cis | -173.8 | 174.7 | -23.9 | -170.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 346 | R | 33.6 | Very low | 32.5 | Very low | 203 Ų | 203 | 147.8 Ų | 147.8 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | trans | 76.5 | 130.4 | 159.7 | -57.4 | -179.8 | 82.5 | 169.8 | 4.7 | 119.4 | ||||
| 347 | N | 31.5 | Very low | 32.5 | Very low | 132 Ų | 132 | 146.2 Ų | 146.2 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | 46.7 | 140.4 | 127 | -50.1 | 28.5 | 0 | 0 | 0 | 120.1 | |||||
| 348 | G | 29.9 | Very low | 32.3 | Very low | 64 Ų | 64 | 140.1 Ų | 140.1 | 66% | 0.66 | 78% | 0.78 | S | S | * | * | cis | 157.4 | -172.3 | -1.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 349 | D | 31.8 | Very low | 32.3 | Very low | 154 Ų | 154 | 139.5 Ų | 139.5 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | 75 | 140 | 159.7 | -48.4 | -29.9 | 0 | 0 | 0 | 119.9 | ||||
| 350 | D | 35.1 | Very low | 32.2 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | -77.4 | 169.6 | -177.4 | -89.5 | -62.9 | 0 | 0 | 0 | 113.8 | ||||
| 351 | Y | 34.5 | Very low | 32.1 | Very low | 192 Ų | 192 | 135 Ų | 135 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | 167.1 | 132.1 | 103.7 | -83.9 | -60.6 | 0 | 0 | 0 | 116.4 | |||||
| 352 | Q | 34.8 | Very low | 32.2 | Very low | 142 Ų | 142 | 136.1 Ų | 136.1 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | trans | 54.3 | 107.6 | 141.4 | -72.2 | 164.5 | -70.3 | 0 | 0 | 123.2 | ||||
| 353 | H | 32 | Very low | 31.8 | Very low | 162 Ų | 162 | 133.9 Ų | 133.9 | 75% | 0.75 | 77% | 0.774 | S | S | * | * | 50.3 | 156.3 | 106.3 | -67.2 | -67.9 | 0 | 0 | 0 | 124.1 | |||||
| 354 | H | 33.4 | Very low | 31.8 | Very low | 169 Ų | 169 | 136.9 Ų | 136.9 | 78% | 0.782 | 78% | 0.781 | S | S | * | * | trans | 79.4 | 117.1 | 171.1 | -47.2 | -74.6 | 0 | 0 | 0 | 114.8 | ||||
| 355 | A | 31.1 | Very low | 31.7 | Very low | 96 Ų | 96 | 135.8 Ų | 135.8 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | cis | 93.4 | 113 | 21.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 356 | E | 29.7 | Very low | 31.6 | Very low | 203 Ų | 203 | 142.1 Ų | 142.1 | 95% | 0.949 | 79% | 0.788 | S | S | * | * | trans | -160.8 | 163.1 | 158.8 | -122.9 | 172.1 | -143.1 | 0 | 0 | 110.2 | ||||
| 357 | A | 30.9 | Very low | 31.5 | Very low | 105 Ų | 105 | 137.9 Ų | 137.9 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | trans | -155.6 | 142.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 358 | A | 28.6 | Very low | 31.5 | Very low | 103 Ų | 103 | 135.6 Ų | 135.6 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -168 | 163.5 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 359 | S | 30.1 | Very low | 31.8 | Very low | 114 Ų | 114 | 140 Ų | 140 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | cis | -179.2 | 156.3 | -34.1 | -175.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 360 | S | 29.8 | Very low | 31.9 | Very low | 117 Ų | 117 | 139.1 Ų | 139.1 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | 74.1 | 136.9 | -179.7 | -160.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 361 | S | 30.1 | Very low | 31.8 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | cis | -162.7 | -157.7 | -16.6 | -170.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 362 | A | 29.9 | Very low | 31.9 | Very low | 90 Ų | 90 | 136.9 Ų | 136.9 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | trans | -68.5 | 161.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 363 | A | 31 | Very low | 31.8 | Very low | 77 Ų | 77 | 142.1 Ų | 142.1 | 64% | 0.636 | 82% | 0.818 | S | S | * | * | cis | -166.9 | 159.9 | 35.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 364 | F | 33.5 | Very low | 31.9 | Very low | 213 Ų | 213 | 139.5 Ų | 139.5 | 93% | 0.934 | 82% | 0.817 | S | S | * | * | trans | 61.7 | 132.1 | 167.8 | -65.1 | -72.6 | 0 | 0 | 0 | 119.5 | ||||
| 365 | I | 34.7 | Very low | 32 | Very low | 166 Ų | 166 | 142 Ų | 142 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | trans | -105.1 | 134.7 | -170.7 | -61.8 | 167.8 | 0 | 0 | 0 | 110.9 | ||||
| 366 | R | 27.5 | Very low | 31.9 | Very low | 233 Ų | 233 | 148.9 Ų | 148.9 | 88% | 0.879 | 83% | 0.826 | S | S | * | * | trans | -155 | 136.3 | 147.6 | -132.6 | 171.8 | -173.7 | 145.4 | 2.6 | 112.3 | ||||
| 367 | S | 30.8 | Very low | 32 | Very low | 115 Ų | 115 | 145 Ų | 145 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | 87.9 | 150.2 | 169.7 | -50 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 368 | A | 32.9 | Very low | 32 | Very low | 84 Ų | 84 | 143.8 Ų | 143.8 | 69% | 0.694 | 81% | 0.813 | S | S | * | * | trans | 72 | 94.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 369 | N | 35.5 | Very low | 32.2 | Very low | 155 Ų | 155 | 142.4 Ų | 142.4 | 83% | 0.829 | 81% | 0.809 | S | S | * | * | 59.2 | 157.5 | 119.7 | -56.1 | -6.8 | 0 | 0 | 0 | 122.8 | |||||
| 370 | V | 33.9 | Very low | 32.7 | Very low | 136 Ų | 136 | 146.6 Ų | 146.6 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | trans | 72.6 | 92.7 | 167.6 | -164.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 371 | L | 33.2 | Very low | 33.5 | Very low | 164 Ų | 164 | 147.3 Ų | 147.3 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | trans | -82.4 | 149.2 | 148.7 | -78.2 | 172 | 0 | 0 | 0 | 109.9 | ||||
| 372 | P | 35.7 | Very low | 34.1 | Very low | 117 Ų | 117 | 147.6 Ų | 147.6 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | trans | -77.2 | 136 | -169.9 | 30.1 | -35.4 | 0 | 0 | 0 | 113.3 | S374 | P372-S374 PolarHBondContact O-N 2.83Š| ||
| 373 | R | 33.7 | Very low | 35.2 | Very low | 251 Ų | 251 | 151.3 Ų | 151.3 | 95% | 0.947 | 81% | 0.81 | S | S | * | * | trans | -85.1 | 108.6 | 173.9 | -171.1 | 174.6 | -173.7 | 167.3 | 2.1 | 110.1 | ||||
| 374 | S | 33.3 | Very low | 36.6 | Very low | 107 Ų | 107 | 155.3 Ų | 155.3 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | trans | -69.6 | 149.3 | 174 | 50.2 | 0 | 0 | 0 | 0 | 111.8 | P372 | P372-S374 PolarHBondContact O-N 2.83Š| ||
| 375 | R | 35.7 | Very low | 37.5 | Very low | 223 Ų | 223 | 152.8 Ų | 152.8 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | trans | -103.5 | 103 | -172.2 | 176.4 | -161.1 | -98.5 | -164.5 | -6 | 111.7 | V377 | R375-V377 HydrophobicContact CG-CG2 3.96Š| ||
| 376 | W | 29.7 | Very low | 38.7 | Very low | 239 Ų | 239 | 154.8 Ų | 154.8 | 91% | 0.905 | 80% | 0.801 | S | S | * | * | trans | -141.7 | 118.6 | 153.5 | -67.2 | 87.2 | 0 | 0 | 0 | 105.1 | ||||
| 377 | V | 31.2 | Very low | 40 | Very low | 121 Ų | 121 | 149.2 Ų | 149.2 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | cis | 80.9 | 95.7 | 39.3 | -174.4 | 0 | 0 | 0 | 0 | 112.7 | R375 | R375-V377 HydrophobicContact CG-CG2 3.96Š| ||
| 378 | G | 31.2 | Very low | 40.8 | Very low | 80 Ų | 80 | 151.2 Ų | 151.2 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | 116.5 | 113.2 | 154.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 379 | G | 33.5 | Very low | 42.1 | Very low | 74 Ų | 74 | 152.2 Ų | 152.2 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 105.5 | 126.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 380 | E | 39.1 | Very low | 43.3 | Very low | 202 Ų | 202 | 154.1 Ų | 154.1 | 94% | 0.944 | 80% | 0.8 | S | S | * | * | trans | 20.8 | 108.4 | 161.4 | -63.9 | 179.3 | 161.3 | 0 | 0 | 118.6 | ||||
| 381 | V | 46.5 | Very low | 44.6 | Very low | 132 Ų | 132 | 154 Ų | 154 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | trans | -100.5 | 138.2 | 154.9 | 175.7 | 0 | 0 | 0 | 0 | 107.1 | E383 | V381-E383 PolarHBondContact O-N 3.41Š| ||
| 382 | D | 43.2 | Very low | 46.1 | Very low | 121 Ų | 121 | 152 Ų | 152 | 65% | 0.647 | 78% | 0.779 | S | S | * | * | trans | -61.5 | 124.4 | 178.3 | -62.9 | -65.8 | 0 | 0 | 0 | 112.2 | E384 F385 | D382-E384 PolarHBondContact O-N 3.45Å; D382-F385 PolarHBondContact O-N 2.95Å | ||
| 383 | E | 53.1 | Low | 47.7 | Very low | 168 Ų | 168 | 152.4 Ų | 152.4 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 3.3 | 174.6 | -65 | -78.7 | -177.5 | 0 | 0 | 113.6 | V381 | V381-E383 PolarHBondContact O-N 3.41Š|
| 384 | E | 60.9 | Low | 49.5 | Very low | 160 Ų | 160 | 148.6 Ų | 148.6 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -22.1 | 179.8 | -169 | 159.7 | -133 | 0 | 0 | 112.8 | D382 | D382-E384 PolarHBondContact O-N 3.45Š|
| 385 | F | 51.4 | Low | 51.4 | Low | 160 Ų | 160 | 148.7 Ų | 148.7 | 70% | 0.702 | 75% | 0.754 | S | S | * | * | trans | -106.7 | 75.4 | -175.4 | -71 | -80.1 | 0 | 0 | 0 | 113.8 | D382 | D382-F385 PolarHBondContact O-N 2.95Š| ||
| 386 | W | 60.9 | Low | 53.3 | Low | 209 Ų | 209 | 143.9 Ų | 143.9 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 125.4 | 163.6 | -68.1 | 86.2 | 0 | 0 | 0 | 110.3 | L388 | W386-L388 PolarHBondContact O-N 3.34Š|
| 387 | P | 53.6 | Low | 55.8 | Low | 116 Ų | 116 | 138.4 Ų | 138.4 | 75% | 0.753 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 133.2 | 176.5 | 26.2 | -33.2 | 0 | 0 | 0 | 110.5 | ||
| 388 | L | 49 | Very low | 58 | Low | 157 Ų | 157 | 137.3 Ų | 137.3 | 82% | 0.822 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 135 | -177.6 | -70.8 | 168.1 | 0 | 0 | 0 | 111.4 | W386 E390 | W386-L388 PolarHBondContact O-N 3.34Å; L388-E390 PolarHBondContact O-N 3.48Å |
| 389 | P | 60.6 | Low | 60.4 | Low | 105 Ų | 105 | 136.1 Ų | 136.1 | 68% | 0.682 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -60 | 119.1 | 176.9 | -25.3 | 34.8 | 0 | 0 | 0 | 112.4 | Q391 | P389-Q391 PolarHBondContact O-N 2.9Š|
| 390 | E | 59.9 | Low | 62.8 | Low | 195 Ų | 195 | 140.3 Ų | 140.3 | 91% | 0.911 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -68.2 | 4.3 | -169.5 | -60.1 | -171.6 | 138 | 0 | 0 | 115.8 | L388 | L388-E390 PolarHBondContact O-N 3.48Š|
| 391 | Q | 60.5 | Low | 65 | Low | 134 Ų | 134 | 135.6 Ų | 135.6 | 63% | 0.626 | 67% | 0.665 | S | S | * | * | trans | -137.6 | 69.4 | -175.1 | -64.7 | -166.4 | 8.1 | 0 | 0 | 114.4 | P389 K393 | P389-Q391 PolarHBondContact O-N 2.9Å; Q391-K393 PolarHBondContact O-N 3.48Å | ||
| 392 | L | 64.6 | Low | 66.9 | Low | 120 Ų | 120 | 133.9 Ų | 133.9 | 63% | 0.628 | 65% | 0.654 | S | S | * | * | trans | -72.2 | 63.9 | 166.4 | -64.9 | 178.5 | 0 | 0 | 0 | 112.3 | E394 L395 Q396 | L392-E394 PolarHBondContact O-N 2.9Å; L392-L395 HydrophobicContact CB-CB 4.1Å; L392-L395 HydrophobicContact CD1-CD2 4.41Å; L392-L395 PolarHBondContact O-N 3.35Å; L392-Q396 PolarHBondContact O-N 2.9Å; L392-Q396 VanDerWaalsContact O-N 3.11Å | ||
| 393 | K | 69.3 | Low | 68.8 | Low | 127 Ų | 127 | 136.9 Ų | 136.9 | 55% | 0.552 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -54.7 | -37 | 177.3 | -76.3 | 165.1 | 171.4 | 150.7 | 0 | 112.3 | Q391 Q396 Q397 | Q391-K393 PolarHBondContact O-N 3.48Å; K393-Q396 WeakPolarHBondContact O-CB 3.47Å; K393-Q396 PolarHBondContact O-N 3.43Å; K393-Q397 WeakPolarHBondContact O-CB 3.37Å; K393-Q397 PolarHBondContact O-N 2.8Å |
| 394 | E | 71.8 | Confident | 70.3 | Confident | 170 Ų | 170 | 134.3 Ų | 134.3 | 79% | 0.794 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -62.9 | -46.3 | 177.9 | -66 | 172.2 | -167.8 | 0 | 0 | 112.1 | L392 Q396 Q397 L398 | L392-E394 PolarHBondContact O-N 2.9Å; E394-Q396 VanDerWaalsContact C-N 3.32Å; E394-Q396 PolarHBondContact O-N 3.5Å; E394-Q397 PolarHBondContact O-N 3.18Å; E394-L398 WeakPolarHBondContact O-CB 3.25Å; E394-L398 PolarHBondContact O-N 3.01Å |
| 395 | L | 73.6 | Confident | 71.3 | Confident | 110 Ų | 110 | 130.8 Ų | 130.8 | 58% | 0.576 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -66.1 | -37.1 | 176.6 | -168.4 | 70.5 | 0 | 0 | 0 | 111.3 | L392 L398 S399 | L392-L395 HydrophobicContact CB-CB 4.1Å; L392-L395 HydrophobicContact CD1-CD2 4.41Å; L392-L395 PolarHBondContact O-N 3.35Å; L395-L398 PolarHBondContact O-N 3.1Å; L395-S399 WeakPolarHBondContact O-CB 3.47Å; L395-S399 PolarHBondContact O-N 3.06Å |
| 396 | Q | 75.6 | Confident | 72.6 | Confident | 122 Ų | 122 | 125.5 Ų | 125.5 | 57% | 0.57 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.9 | -40.3 | 173.4 | -166.2 | -176.3 | 16.6 | 0 | 0 | 111.6 | L392 K393 E394 S399 R400 | L392-Q396 PolarHBondContact O-N 2.9Å; L392-Q396 VanDerWaalsContact O-N 3.11Å; K393-Q396 WeakPolarHBondContact O-CB 3.47Å; K393-Q396 PolarHBondContact O-N 3.43Å; E394-Q396 VanDerWaalsContact C-N 3.32Å; E394-Q396 PolarHBondContact O-N 3.5Å; Q396-S399 PolarHBondContact O-N 3.15Å; Q396-S399 PolarHBondContact O-OG 3.12Å; Q396-R400 PolarHBondContact O-N 3.11Å; Q396-R400 VanDerWaalsContact O-N 3.08Å |
| 397 | Q | 81.3 | Confident | 73.1 | Confident | 123 Ų | 123 | 118.7 Ų | 118.7 | 58% | 0.575 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69.8 | -40.7 | 177.6 | -173.2 | 159.3 | -18.4 | 0 | 0 | 112 | K393 E394 S399 R400 Q401 | K393-Q397 WeakPolarHBondContact O-CB 3.37Å; K393-Q397 PolarHBondContact O-N 2.8Å; E394-Q397 PolarHBondContact O-N 3.18Å; Q397-S399 VanDerWaalsContact C-N 3.34Å; Q397-S399 PolarHBondContact O-N 2.77Å; Q397-R400 WeakPolarHBondContact O-CB 3.45Å; Q397-R400 PolarHBondContact O-N 2.83Å; Q397-R400 VanDerWaalsContact O-N 3.15Å; Q397-Q401 PolarHBondContact O-N 3.05Å |
| 398 | L | 78.1 | Confident | 73.6 | Confident | 98 Ų | 98 | 120.4 Ų | 120.4 | 51% | 0.513 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -60.5 | -43.6 | 171.4 | -159.3 | 77.9 | 0 | 0 | 0 | 111 | E394 L395 R400 Q401 V402 | E394-L398 WeakPolarHBondContact O-CB 3.25Å; E394-L398 PolarHBondContact O-N 3.01Å; L395-L398 PolarHBondContact O-N 3.1Å; L398-R400 PolarHBondContact O-N 2.81Å; L398-Q401 PolarHBondContact O-N 3.26Å; L398-V402 WeakPolarHBondContact O-CG2 3.02Å; L398-V402 PolarHBondContact O-N 2.85Å |
| 399 | S | 82.6 | Confident | 74.4 | Confident | 55 Ų | 55 | 119.4 Ų | 119.4 | 39% | 0.385 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.8 | -28.1 | 176.4 | 83.9 | 0 | 0 | 0 | 0 | 113.4 | L395 Q396 Q397 R403 | L395-S399 WeakPolarHBondContact O-CB 3.47Å; L395-S399 PolarHBondContact O-N 3.06Å; Q396-S399 PolarHBondContact O-N 3.15Å; Q396-S399 PolarHBondContact O-OG 3.12Å; Q397-S399 VanDerWaalsContact C-N 3.34Å; Q397-S399 PolarHBondContact O-N 2.77Å; S399-R403 VanDerWaalsContact O-CB 3.31Å; S399-R403 WeakPolarHBondContact O-CB 3.43Å; S399-R403 PolarHBondContact O-N 3.16Å |
| 400 | R | 83.5 | Confident | 74.1 | Confident | 163 Ų | 163 | 117.9 Ų | 117.9 | 62% | 0.615 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -73 | -48.4 | 173.9 | -172.1 | -174.4 | -60.8 | -98 | 1.1 | 110.5 | Q396 Q397 L398 V402 R403 E404 | Q396-R400 PolarHBondContact O-N 3.11Å; Q396-R400 VanDerWaalsContact O-N 3.08Å; Q397-R400 WeakPolarHBondContact O-CB 3.45Å; Q397-R400 PolarHBondContact O-N 2.83Å; Q397-R400 VanDerWaalsContact O-N 3.15Å; L398-R400 PolarHBondContact O-N 2.81Å; R400-V402 PolarHBondContact O-N 3.15Å; R400-R403 PolarHBondContact O-N 3.34Å; R400-R403 VanDerWaalsContact O-N 3.16Å; R400-E404 WeakPolarHBondContact O-CB 3.34Å; R400-E404 PolarHBondContact O-N 2.85Å |
| 401 | Q | 84.3 | Confident | 73.7 | Confident | 103 Ų | 103 | 114.2 Ų | 114.2 | 48% | 0.481 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -59.4 | -45.4 | 176.7 | -71.9 | 173.9 | -28.6 | 0 | 0 | 111.8 | Q397 L398 R403 E404 V405 | Q397-Q401 PolarHBondContact O-N 3.05Å; L398-Q401 PolarHBondContact O-N 3.26Å; Q401-R403 VanDerWaalsContact C-N 3.31Å; Q401-R403 PolarHBondContact O-N 2.84Å; Q401-E404 PolarHBondContact O-N 2.72Å; Q401-V405 WeakPolarHBondContact O-CG2 3.49Å; Q401-V405 PolarHBondContact O-N 2.75Å |
| 402 | V | 86.6 | Confident | 73 | Confident | 95 Ų | 95 | 113.7 Ų | 113.7 | 58% | 0.576 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61.3 | -39 | 175.8 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | L398 R400 A406 | L398-V402 WeakPolarHBondContact O-CG2 3.02Å; L398-V402 PolarHBondContact O-N 2.85Å; R400-V402 PolarHBondContact O-N 3.15Å; V402-A406 VanDerWaalsContact O-CB 3.25Å; V402-A406 WeakPolarHBondContact O-CB 3.41Å; V402-A406 PolarHBondContact O-N 2.97Å |
| 403 | R | 84.5 | Confident | 71.7 | Confident | 185 Ų | 185 | 113 Ų | 113 | 70% | 0.698 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.7 | -36.1 | 177.1 | -168.8 | 179.6 | -56.3 | -177.4 | 3.1 | 112.9 | S399 R400 Q401 A406 A407 | S399-R403 VanDerWaalsContact O-CB 3.31Å; S399-R403 WeakPolarHBondContact O-CB 3.43Å; S399-R403 PolarHBondContact O-N 3.16Å; R400-R403 PolarHBondContact O-N 3.34Å; R400-R403 VanDerWaalsContact O-N 3.16Å; Q401-R403 VanDerWaalsContact C-N 3.31Å; Q401-R403 PolarHBondContact O-N 2.84Å; R403-A406 PolarHBondContact O-N 2.83Å; R403-A407 WeakPolarHBondContact O-CB 3.17Å; R403-A407 PolarHBondContact O-N 3.44Å |
| 404 | E | 84 | Confident | 70 | Confident | 114 Ų | 114 | 113.7 Ų | 113.7 | 53% | 0.533 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -68.5 | -44.2 | 176.4 | -173.6 | 172.7 | 176.7 | 0 | 0 | 111.3 | R400 Q401 A407 Q408 | R400-E404 WeakPolarHBondContact O-CB 3.34Å; R400-E404 PolarHBondContact O-N 2.85Å; Q401-E404 PolarHBondContact O-N 2.72Å; E404-A407 PolarHBondContact O-N 2.99Å; E404-Q408 WeakPolarHBondContact O-CG 3.16Å; E404-Q408 PolarHBondContact O-N 3.11Å; E404-Q408 VanDerWaalsContact O-N 3.16Å |
| 405 | V | 82.3 | Confident | 68.2 | Low | 86 Ų | 86 | 109.9 Ų | 109.9 | 52% | 0.521 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -60.8 | -46.4 | 170.2 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | Q401 A407 Q408 I409 | Q401-V405 WeakPolarHBondContact O-CG2 3.49Å; Q401-V405 PolarHBondContact O-N 2.75Å; V405-A407 VanDerWaalsContact C-N 3.26Å; V405-A407 PolarHBondContact O-N 3.27Å; V405-Q408 WeakPolarHBondContact O-CB 3.42Å; V405-Q408 PolarHBondContact O-N 3.45Å; V405-I409 HydrophobicContact CG1-CD1 4.38Å; V405-I409 WeakPolarHBondContact O-CG1 3.18Å; V405-I409 PolarHBondContact O-N 2.93Å |
| 406 | A | 78.2 | Confident | 67.1 | Low | 48 Ų | 48 | 110 Ų | 110 | 40% | 0.397 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -58 | -36.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V402 R403 Q408 I409 S410 | V402-A406 VanDerWaalsContact O-CB 3.25Å; V402-A406 WeakPolarHBondContact O-CB 3.41Å; V402-A406 PolarHBondContact O-N 2.97Å; R403-A406 PolarHBondContact O-N 2.83Å; A406-Q408 VanDerWaalsContact C-N 3.35Å; A406-I409 PolarHBondContact O-N 3.06Å; A406-S410 PolarHBondContact O-OG 3.5Å |
| 407 | A | 71.1 | Confident | 64.7 | Low | 66 Ų | 66 | 110 Ų | 110 | 55% | 0.545 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -70.4 | -27.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R403 E404 V405 S410 | R403-A407 WeakPolarHBondContact O-CB 3.17Å; R403-A407 PolarHBondContact O-N 3.44Å; E404-A407 PolarHBondContact O-N 2.99Å; V405-A407 VanDerWaalsContact C-N 3.26Å; V405-A407 PolarHBondContact O-N 3.27Å; A407-S410 PolarHBondContact O-OG 3.02Å |
| 408 | Q | 63.8 | Low | 61.9 | Low | 152 Ų | 152 | 108.3 Ų | 108.3 | 71% | 0.71 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -77.4 | -24.4 | 175.3 | -68.1 | 174.7 | 38 | 0 | 0 | 113.2 | E404 V405 A406 | E404-Q408 WeakPolarHBondContact O-CG 3.16Å; E404-Q408 PolarHBondContact O-N 3.11Å; E404-Q408 VanDerWaalsContact O-N 3.16Å; V405-Q408 WeakPolarHBondContact O-CB 3.42Å; V405-Q408 PolarHBondContact O-N 3.45Å; A406-Q408 VanDerWaalsContact C-N 3.35Å |
| 409 | I | 66.2 | Low | 59.6 | Low | 137 Ų | 137 | 108.5 Ų | 108.5 | 70% | 0.703 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -88.3 | -1.7 | 175.8 | 4.8 | 170.9 | 0 | 0 | 0 | 114.2 | V405 A406 | V405-I409 HydrophobicContact CG1-CD1 4.38Å; V405-I409 WeakPolarHBondContact O-CG1 3.18Å; V405-I409 PolarHBondContact O-N 2.93Å; A406-I409 PolarHBondContact O-N 3.06Å |
| 410 | S | 53.2 | Low | 57.1 | Low | 72 Ų | 72 | 112.8 Ų | 112.8 | 50% | 0.503 | 67% | 0.671 | S | S | . | * | S | Bend | trans | -112.8 | 111.1 | -178.3 | 35.6 | 0 | 0 | 0 | 0 | 111.9 | A406 A407 | A406-S410 PolarHBondContact O-OG 3.5Å; A407-S410 PolarHBondContact O-OG 3.02Å |
| 411 | P | 52.3 | Low | 54.4 | Low | 118 Ų | 118 | 110.5 Ų | 110.5 | 77% | 0.766 | 67% | 0.671 | S | S | * | * | trans | -63.3 | 144.5 | 178.2 | -23.5 | 34.3 | 0 | 0 | 0 | 112.8 | A413 | P411-A413 PolarHBondContact O-N 3.32Š| ||
| 412 | P | 46.4 | Very low | 51.8 | Low | 124 Ų | 124 | 114.6 Ų | 114.6 | 81% | 0.805 | 68% | 0.682 | S | S | * | * | trans | -75.5 | 121.8 | -175.7 | 29.5 | -34.5 | 0 | 0 | 0 | 112.4 | ||||
| 413 | A | 36.1 | Very low | 49 | Very low | 105 Ų | 105 | 115.5 Ų | 115.5 | 87% | 0.868 | 68% | 0.684 | S | S | * | * | trans | -92.3 | 94.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | P411 | P411-A413 PolarHBondContact O-N 3.32Š| ||
| 414 | T | 35.4 | Very low | 46.3 | Very low | 141 Ų | 141 | 112.9 Ų | 112.9 | 87% | 0.865 | 69% | 0.688 | S | S | * | * | trans | -81.9 | 123.3 | 164.4 | 26.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 415 | A | 33.4 | Very low | 43.7 | Very low | 91 Ų | 91 | 113.4 Ų | 113.4 | 75% | 0.752 | 70% | 0.7 | S | S | * | * | trans | -87.9 | -170.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 416 | P | 49.3 | Very low | 40.9 | Very low | 111 Ų | 111 | 114.1 Ų | 114.1 | 72% | 0.721 | 71% | 0.708 | S | S | * | * | cis | -133.2 | -152.4 | -5.3 | 40.4 | -20 | 0 | 0 | 0 | 112.8 | ||||
| 417 | C | 25.3 | Very low | 38.5 | Very low | 124 Ų | 124 | 118 Ų | 118 | 84% | 0.838 | 73% | 0.727 | S | S | * | * | trans | 74.5 | 152.4 | 171.5 | -65 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 418 | A | 24.3 | Very low | 36.5 | Very low | 87 Ų | 87 | 121.5 Ų | 121.5 | 72% | 0.719 | 74% | 0.736 | S | S | * | * | cis | -170 | 178 | -21.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 419 | S | 28.3 | Very low | 35.2 | Very low | 102 Ų | 102 | 120.2 Ų | 120.2 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | trans | 72.8 | 112 | 149.2 | -165.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 420 | L | 31.1 | Very low | 33.5 | Very low | 144 Ų | 144 | 118.3 Ų | 118.3 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | trans | 42.4 | 141.1 | 130.8 | -67.5 | 163.9 | 0 | 0 | 0 | 122.7 | ||||
| 421 | D | 27.5 | Very low | 32.2 | Very low | 116 Ų | 116 | 122.3 Ų | 122.3 | 62% | 0.62 | 75% | 0.754 | S | S | * | * | trans | 66.9 | 158.2 | 146.8 | -77.5 | -54.5 | 0 | 0 | 0 | 116.9 | ||||
| 422 | R | 28.6 | Very low | 31.1 | Very low | 188 Ų | 188 | 122.9 Ų | 122.9 | 71% | 0.709 | 76% | 0.755 | S | S | * | * | cis | -173.7 | 149.8 | -17.8 | 173.4 | 171.5 | -149.1 | 119.6 | -3.4 | 112.1 | ||||
| 423 | D | 28.3 | Very low | 30.3 | Very low | 115 Ų | 115 | 121.7 Ų | 121.7 | 62% | 0.615 | 75% | 0.75 | S | S | * | * | trans | 43.3 | 128.4 | 157.3 | -59.8 | -27 | 0 | 0 | 0 | 122.2 | ||||
| 424 | T | 28.1 | Very low | 29.9 | Very low | 129 Ų | 129 | 121.3 Ų | 121.3 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | trans | 67.6 | 136.4 | 147.7 | 64.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 425 | T | 28.1 | Very low | 29.7 | Very low | 126 Ų | 126 | 123.2 Ų | 123.2 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | -160.1 | 154.8 | 51 | 31.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 426 | S | 24.4 | Very low | 29.3 | Very low | 101 Ų | 101 | 127.7 Ų | 127.7 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | 26.9 | 137.9 | 131.6 | -158.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 427 | T | 26.7 | Very low | 28.2 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 80% | 0.798 | 74% | 0.744 | S | S | * | * | -163.2 | 153.3 | 55.1 | -49 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 428 | L | 29.4 | Very low | 28.9 | Very low | 139 Ų | 139 | 126.8 Ų | 126.8 | 73% | 0.728 | 73% | 0.733 | S | S | * | * | trans | -72.6 | -178.5 | 171.9 | -91.7 | 168.2 | 0 | 0 | 0 | 112.3 | ||||
| 429 | P | 37.8 | Very low | 29.2 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 81% | 0.812 | 74% | 0.736 | S | S | * | * | cis | -144.2 | 173.3 | 28.4 | 42.6 | -21.8 | 0 | 0 | 0 | 120.3 | ||||
| 430 | S | 28.7 | Very low | 29.1 | Very low | 97 Ų | 97 | 132.3 Ų | 132.3 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | trans | -108.1 | 162.6 | 176.3 | -21.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 431 | I | 27.2 | Very low | 29.3 | Very low | 155 Ų | 155 | 129.8 Ų | 129.8 | 80% | 0.795 | 74% | 0.742 | S | S | * | * | trans | -160.4 | 113 | 155.1 | 28.1 | 178.6 | 0 | 0 | 0 | 108.8 | ||||
| 432 | T | 29.2 | Very low | 29.4 | Very low | 130 Ų | 130 | 134.1 Ų | 134.1 | 80% | 0.798 | 76% | 0.755 | S | S | * | * | 68.1 | 147.4 | 82.8 | 61.5 | 0 | 0 | 0 | 0 | 115 | |||||
| 433 | S | 29.2 | Very low | 29.5 | Very low | 99 Ų | 99 | 130.3 Ų | 130.3 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | cis | -171.5 | 155 | -3.7 | 161.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 434 | S | 28.7 | Very low | 29.8 | Very low | 97 Ų | 97 | 132.6 Ų | 132.6 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | 169.1 | 132.7 | 98.2 | -65.5 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 435 | Q | 30.7 | Very low | 30 | Very low | 182 Ų | 182 | 134.2 Ų | 134.2 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | 73.2 | 138.6 | 91 | -129.8 | 180 | 14.7 | 0 | 0 | 113.9 | |||||
| 436 | K | 24.7 | Very low | 30 | Very low | 184 Ų | 184 | 135.8 Ų | 135.8 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | cis | -162 | 164.3 | 33 | -170.8 | -179.3 | 174.3 | -177.2 | 0 | 113.3 | ||||
| 437 | T | 26 | Very low | 30.1 | Very low | 124 Ų | 124 | 134 Ų | 134 | 76% | 0.761 | 75% | 0.753 | S | S | * | * | trans | -102.4 | -161.7 | 178.5 | 50.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 438 | P | 40.1 | Very low | 30.2 | Very low | 92 Ų | 92 | 134 Ų | 134 | 60% | 0.597 | 76% | 0.757 | S | S | * | * | cis | -148.1 | -179.6 | 3.5 | 45.9 | -25.3 | 0 | 0 | 0 | 120.4 | ||||
| 439 | E | 30.3 | Very low | 30.2 | Very low | 170 Ų | 170 | 136.6 Ų | 136.6 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | trans | 61.4 | 164.8 | 144.2 | -77.7 | 163.2 | -122.1 | 0 | 0 | 122.5 | ||||
| 440 | T | 27.2 | Very low | 29.7 | Very low | 136 Ų | 136 | 134.1 Ų | 134.1 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | cis | -143.4 | -168.8 | 10.5 | -16.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 441 | A | 34.8 | Very low | 29.7 | Very low | 91 Ų | 91 | 135.1 Ų | 135.1 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | trans | -134.1 | 170.7 | -165.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 442 | K | 30.4 | Very low | 29.9 | Very low | 207 Ų | 207 | 135.5 Ų | 135.5 | 90% | 0.9 | 76% | 0.763 | S | S | * | * | trans | 165.8 | 165.6 | 158.4 | -95.3 | 179.7 | -179.6 | -179.1 | 0 | 110.8 | ||||
| 443 | D | 30.3 | Very low | 29.8 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 58% | 0.578 | 77% | 0.765 | S | S | * | * | cis | -171.1 | 142.9 | -29.4 | -174.4 | 32.4 | 0 | 0 | 0 | 110.4 | ||||
| 444 | K | 34.6 | Very low | 29.7 | Very low | 163 Ų | 163 | 139.4 Ų | 139.4 | 71% | 0.709 | 77% | 0.774 | S | S | * | * | trans | 52.5 | 174.8 | 165 | -76.2 | 170.9 | -163 | 106.1 | 0 | 122 | ||||
| 445 | Q | 31.4 | Very low | 29.5 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | cis | 167.5 | 151.5 | -45.4 | -176.7 | 178 | -11.1 | 0 | 0 | 109.6 | ||||
| 446 | D | 29.3 | Very low | 29.3 | Very low | 158 Ų | 158 | 135.1 Ų | 135.1 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | trans | 101.6 | 152.9 | 150 | -140.9 | -1.4 | 0 | 0 | 0 | 119.9 | ||||
| 447 | G | 26 | Very low | 29.4 | Very low | 64 Ų | 64 | 135 Ų | 135 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | trans | 129.5 | 96.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 448 | C | 27.7 | Very low | 29.4 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | trans | -86.6 | 177.9 | 150.5 | -63.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 449 | E | 29.5 | Very low | 28.7 | Very low | 194 Ų | 194 | 135.5 Ų | 135.5 | 91% | 0.907 | 79% | 0.789 | S | S | * | * | cis | -167.9 | 166.1 | 29 | -171.3 | 173.6 | -140.6 | 0 | 0 | 108.3 | ||||
| 450 | G | 27.6 | Very low | 28.6 | Very low | 73 Ų | 73 | 131.6 Ų | 131.6 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | 169.1 | 137.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 451 | T | 29.9 | Very low | 28.7 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | trans | -137.4 | 135.5 | -161.8 | -62.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 452 | Q | 30.4 | Very low | 28.3 | Very low | 164 Ų | 164 | 130.5 Ų | 130.5 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | trans | 44.2 | 130.9 | 158.9 | -64.8 | 167.2 | 9.1 | 0 | 0 | 120.3 | ||||
| 453 | H | 27 | Very low | 28.1 | Very low | 180 Ų | 180 | 124.3 Ų | 124.3 | 83% | 0.833 | 79% | 0.787 | S | S | * | * | -170.9 | 165.9 | 103.9 | -112.8 | -90.8 | 0 | 0 | 0 | 112.2 | |||||
| 454 | C | 27.3 | Very low | 28.3 | Very low | 130 Ų | 130 | 130.9 Ų | 130.9 | 88% | 0.878 | 80% | 0.803 | S | S | * | * | trans | -109.3 | 132.4 | -179.7 | -62.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 455 | A | 24.9 | Very low | 28.1 | Very low | 95 Ų | 95 | 133.8 Ų | 133.8 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -151.7 | 122.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 456 | A | 25.6 | Very low | 28.2 | Very low | 94 Ų | 94 | 130.8 Ų | 130.8 | 78% | 0.777 | 81% | 0.807 | S | S | * | * | 93 | 136.1 | 51.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 457 | E | 26.6 | Very low | 28.1 | Very low | 181 Ų | 181 | 133 Ų | 133 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | 75.5 | 102.1 | 168.4 | -49.2 | -152.3 | 133.1 | 0 | 0 | 120.6 | ||||
| 458 | T | 25.7 | Very low | 28.2 | Very low | 134 Ų | 134 | 134.1 Ų | 134.1 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | 53.2 | 110.3 | 113.8 | -46.7 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 459 | A | 27.1 | Very low | 28.6 | Very low | 93 Ų | 93 | 134.8 Ų | 134.8 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | -171.8 | 138.9 | 115 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 460 | A | 27.6 | Very low | 28.6 | Very low | 88 Ų | 88 | 136.1 Ų | 136.1 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | 36.3 | 136.1 | 141.9 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 461 | S | 28.7 | Very low | 28.6 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | 57.3 | 131.2 | 152.5 | 54.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 462 | G | 26.2 | Very low | 28.8 | Very low | 83 Ų | 83 | 138.6 Ų | 138.6 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | cis | 112.2 | 110.5 | 11.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 463 | G | 26.8 | Very low | 28.8 | Very low | 78 Ų | 78 | 134.6 Ų | 134.6 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | 172.7 | 127.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 464 | R | 35.6 | Very low | 28.9 | Very low | 246 Ų | 246 | 129.7 Ų | 129.7 | 93% | 0.928 | 82% | 0.817 | S | S | * | * | trans | -82 | 161.7 | 158.4 | -45.2 | 176.5 | -149.7 | -133 | 1.9 | 105.4 | ||||
| 465 | R | 29.2 | Very low | 29.6 | Very low | 224 Ų | 224 | 130.9 Ų | 130.9 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | cis | -173.3 | 166 | 37 | -151.7 | -178.5 | -173.9 | 162.4 | -1.2 | 108.3 | ||||
| 466 | S | 33.6 | Very low | 30.1 | Very low | 100 Ų | 100 | 138 Ų | 138 | 70% | 0.699 | 83% | 0.827 | S | S | * | * | trans | 31.8 | 118.8 | 152.1 | -60.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 467 | E | 27.6 | Very low | 30.8 | Very low | 205 Ų | 205 | 137.2 Ų | 137.2 | 96% | 0.958 | 83% | 0.827 | S | S | * | * | -132 | 158.5 | 122.3 | -76.7 | -147.3 | 136.6 | 0 | 0 | 109.6 | |||||
| 468 | A | 28.2 | Very low | 31.2 | Very low | 87 Ų | 87 | 137.6 Ų | 137.6 | 72% | 0.719 | 83% | 0.829 | S | S | * | * | trans | -131.9 | 151.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 469 | L | 35.3 | Very low | 31.7 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 75% | 0.749 | 83% | 0.829 | S | S | * | * | trans | 170.6 | 138.3 | 133.2 | -90.3 | 159.4 | 0 | 0 | 0 | 111.7 | ||||
| 470 | R | 29.7 | Very low | 32.3 | Very low | 221 Ų | 221 | 137.9 Ų | 137.9 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | trans | 55.5 | 110.9 | 148.4 | -61.1 | 170.3 | -172.9 | 174.5 | 6.9 | 119.1 | ||||
| 471 | S | 28.1 | Very low | 33.2 | Very low | 131 Ų | 131 | 137.8 Ų | 137.8 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | -118.6 | 160.5 | 120.2 | -169.8 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 472 | S | 33.8 | Very low | 34.3 | Very low | 113 Ų | 113 | 137 Ų | 137 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -138.4 | 144.3 | -163 | -174.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 473 | G | 30.2 | Very low | 35.1 | Very low | 79 Ų | 79 | 134.2 Ų | 134.2 | 81% | 0.814 | 77% | 0.77 | S | S | * | * | trans | 66.3 | 92.6 | 151.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 474 | G | 28.7 | Very low | 36.3 | Very low | 77 Ų | 77 | 134.4 Ų | 134.4 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | trans | -156.7 | 85.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R476 | G474-R476 PolarHBondContact O-N 3.43Š| ||
| 475 | V | 42.9 | Very low | 37.3 | Very low | 155 Ų | 155 | 126 Ų | 126 | 94% | 0.939 | 72% | 0.723 | S | S | * | * | trans | -86.2 | 104.7 | -178.3 | 179 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 476 | R | 34.3 | Very low | 38.5 | Very low | 246 Ų | 246 | 122.6 Ų | 122.6 | 93% | 0.928 | 72% | 0.717 | S | S | * | * | trans | -148.1 | 143.2 | 148.2 | -135.8 | 176 | -172.1 | -155.2 | -0.5 | 110.1 | G474 | G474-R476 PolarHBondContact O-N 3.43Š| ||
| 477 | G | 41.2 | Very low | 39.3 | Very low | 76 Ų | 76 | 127.3 Ų | 127.3 | 78% | 0.784 | 72% | 0.719 | S | S | * | * | trans | -83.6 | 122.5 | -160.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 478 | Q | 34.5 | Very low | 40.7 | Very low | 189 Ų | 189 | 119.5 Ų | 119.5 | 88% | 0.883 | 68% | 0.684 | S | S | * | * | -133.2 | 116.2 | 127.4 | -80.6 | -170.9 | -4.2 | 0 | 0 | 107.7 | S480 | Q478-S480 PolarHBondContact O-N 2.88Š| |||
| 479 | L | 37.5 | Very low | 42.1 | Very low | 157 Ų | 157 | 118 Ų | 118 | 82% | 0.822 | 66% | 0.664 | S | S | * | * | trans | -77.8 | 101.1 | 169.4 | -81.7 | 165.2 | 0 | 0 | 0 | 107.8 | V481 | L479-V481 PolarHBondContact O-N 2.86Š| ||
| 480 | S | 38.6 | Very low | 43.1 | Very low | 76 Ų | 76 | 118.8 Ų | 118.8 | 53% | 0.531 | 66% | 0.661 | S | S | . | * | trans | -66.5 | 106.5 | 172.4 | 48.1 | 0 | 0 | 0 | 0 | 109.3 | Q478 T482 G483 V484 | Q478-S480 PolarHBondContact O-N 2.88Å; S480-T482 PolarHBondContact O-N 3.29Å; S480-T482 VanDerWaalsContact O-N 3.09Å; S480-G483 PolarHBondContact O-N 3Å; S480-V484 PolarHBondContact O-N 3.24Å | ||
| 481 | V | 47.7 | Very low | 44.4 | Very low | 87 Ų | 87 | 115.7 Ų | 115.7 | 53% | 0.527 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -52.4 | -34.7 | -178.6 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | L479 V484 R485 | L479-V481 PolarHBondContact O-N 2.86Å; V481-V484 PolarHBondContact O-N 2.9Å; V481-R485 VanDerWaalsContact O-CG 3.28Å; V481-R485 WeakPolarHBondContact O-CG 3.3Å; V481-R485 PolarHBondContact O-N 3.39Å |
| 482 | T | 50.8 | Low | 45.6 | Very low | 104 Ų | 104 | 110.3 Ų | 110.3 | 64% | 0.638 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -58 | -44.1 | 172.4 | 45.2 | 0 | 0 | 0 | 0 | 114 | S480 V484 R485 E486 | S480-T482 PolarHBondContact O-N 3.29Å; S480-T482 VanDerWaalsContact O-N 3.09Å; T482-V484 VanDerWaalsContact C-N 3.31Å; T482-V484 PolarHBondContact O-N 3.49Å; T482-R485 PolarHBondContact O-N 2.88Å; T482-E486 PolarHBondContact O-N 3.32Å; T482-E486 VanDerWaalsContact O-N 3.1Å |
| 483 | G | 43.2 | Very low | 46.4 | Very low | 25 Ų | 25 | 109.1 Ų | 109.1 | 26% | 0.258 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -72.2 | -22.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S480 R487 | S480-G483 PolarHBondContact O-N 3Å; G483-R487 WeakPolarHBondContact O-CG 3.37Å |
| 484 | V | 52.8 | Low | 47.1 | Very low | 81 Ų | 81 | 111 Ų | 111 | 49% | 0.491 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -76.7 | -46.8 | 170.2 | -177.5 | 0 | 0 | 0 | 0 | 110 | S480 V481 T482 E486 R487 L488 | S480-V484 PolarHBondContact O-N 3.24Å; V481-V484 PolarHBondContact O-N 2.9Å; T482-V484 VanDerWaalsContact C-N 3.31Å; T482-V484 PolarHBondContact O-N 3.49Å; V484-E486 PolarHBondContact O-N 3.23Å; V484-R487 PolarHBondContact O-N 3.24Å; V484-L488 WeakPolarHBondContact O-CB 3.4Å; V484-L488 PolarHBondContact O-N 3.04Å |
| 485 | R | 56.4 | Low | 48 | Very low | 71 Ų | 71 | 110.9 Ų | 110.9 | 27% | 0.268 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -55.2 | -46.7 | 179.2 | -71.7 | 177.7 | 176 | -159.1 | -3.4 | 112.8 | V481 T482 R487 L488 L489 L515 | V481-R485 VanDerWaalsContact O-CG 3.28Å; V481-R485 WeakPolarHBondContact O-CG 3.3Å; V481-R485 PolarHBondContact O-N 3.39Å; T482-R485 PolarHBondContact O-N 2.88Å; R485-R487 PolarHBondContact O-N 3.4Å; R485-L488 PolarHBondContact O-N 2.95Å; R485-L489 WeakPolarHBondContact O-CB 3.35Å; R485-L489 WeakPolarHBondContact O-CG 3.41Å; R485-L489 PolarHBondContact O-N 3.47Å; R485-L515 HydrophobicContact CG-CD1 3.49Å; R485-L515 VanDerWaalsContact CG-CD1 3.49Å; R485-L515 HydrophobicContact CG-CD2 4.11Å; R485-L515 HydrophobicContact CG-CG 4.47Å |
| 486 | E | 54.4 | Low | 48.2 | Very low | 151 Ų | 151 | 109.5 Ų | 109.5 | 71% | 0.706 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.2 | -34.1 | -177.4 | -168.7 | 175.3 | -151.4 | 0 | 0 | 113 | T482 V484 K490 | T482-E486 PolarHBondContact O-N 3.32Å; T482-E486 VanDerWaalsContact O-N 3.1Å; V484-E486 PolarHBondContact O-N 3.23Å; E486-K490 PolarHBondContact O-N 3.42Å |
| 487 | R | 50.8 | Low | 49.1 | Very low | 199 Ų | 199 | 107 Ų | 107 | 75% | 0.751 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.9 | -44 | 172.3 | -69.9 | -178.5 | -173.8 | 178.7 | 4 | 111.7 | G483 V484 R485 K490 Q491 | G483-R487 WeakPolarHBondContact O-CG 3.37Å; V484-R487 PolarHBondContact O-N 3.24Å; R485-R487 PolarHBondContact O-N 3.4Å; R487-K490 PolarHBondContact O-N 3.01Å; R487-Q491 PolarHBondContact O-N 2.92Å |
| 488 | L | 56.5 | Low | 49.6 | Very low | 41 Ų | 41 | 109.3 Ų | 109.3 | 22% | 0.215 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -60.5 | -52.6 | 178.2 | -156 | 78.5 | 0 | 0 | 0 | 110 | V484 R485 K490 Q491 L492 L515 | V484-L488 WeakPolarHBondContact O-CB 3.4Å; V484-L488 PolarHBondContact O-N 3.04Å; R485-L488 PolarHBondContact O-N 2.95Å; L488-K490 PolarHBondContact O-N 3.45Å; L488-K490 VanDerWaalsContact O-N 3.08Å; L488-Q491 CarbonylContact O-C 3.49Å; L488-Q491 WeakPolarHBondContact O-CA 3.46Å; L488-Q491 PolarHBondContact O-N 3.41Å; L488-L492 HydrophobicContact CB-CD1 4.47Å; L488-L492 HydrophobicContact CD2-CD1 4.08Å; L488-L492 HydrophobicContact CG-CD1 3.88Å; L488-L492 HydrophobicContact CG-CG 4.26Å; L488-L492 WeakPolarHBondContact O-CB 3.45Å; L488-L492 WeakPolarHBondContact O-CG 3.4Å; L488-L492 PolarHBondContact O-N 2.93Å; L488-L515 HydrophobicContact CD2-CD2 3.99Å |
| 489 | L | 56.6 | Low | 50.4 | Low | 57 Ų | 57 | 106.3 Ų | 106.3 | 30% | 0.298 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -53.6 | -32.7 | 177.2 | -76.6 | 168.8 | 0 | 0 | 0 | 113.6 | R485 L560 | R485-L489 WeakPolarHBondContact O-CB 3.35Å; R485-L489 WeakPolarHBondContact O-CG 3.41Å; R485-L489 PolarHBondContact O-N 3.47Å; L489-L560 HydrophobicContact CD2-CB 4.25Å; L489-L560 HydrophobicContact CD2-CD1 4.29Å |
| 490 | K | 56.9 | Low | 51.5 | Low | 159 Ų | 159 | 102.7 Ų | 102.7 | 69% | 0.691 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -75.1 | -41.5 | 175.8 | -163.3 | 158 | -170.2 | 163.5 | 0 | 112.6 | E486 R487 L488 L492 | E486-K490 PolarHBondContact O-N 3.42Å; R487-K490 PolarHBondContact O-N 3.01Å; L488-K490 PolarHBondContact O-N 3.45Å; L488-K490 VanDerWaalsContact O-N 3.08Å; K490-L492 PolarHBondContact O-N 3.38Å |
| 491 | Q | 56.3 | Low | 53.6 | Low | 155 Ų | 155 | 101.3 Ų | 101.3 | 72% | 0.724 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -72.8 | -12.6 | 175.8 | -161.4 | 169.9 | -3.3 | 0 | 0 | 113.3 | R487 L488 | R487-Q491 PolarHBondContact O-N 2.92Å; L488-Q491 CarbonylContact O-C 3.49Å; L488-Q491 WeakPolarHBondContact O-CA 3.46Å; L488-Q491 PolarHBondContact O-N 3.41Å |
| 492 | L | 54 | Low | 55.3 | Low | 18 Ų | 18 | 101 Ų | 101 | 9% | 0.094 | 54% | 0.537 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -13.5 | 179.5 | -74.1 | 171.7 | 0 | 0 | 0 | 114.9 | L488 K490 L508 Q512 L560 | L488-L492 HydrophobicContact CB-CD1 4.47Å; L488-L492 HydrophobicContact CD2-CD1 4.08Å; L488-L492 HydrophobicContact CG-CD1 3.88Å; L488-L492 HydrophobicContact CG-CG 4.26Å; L488-L492 WeakPolarHBondContact O-CB 3.45Å; L488-L492 WeakPolarHBondContact O-CG 3.4Å; L488-L492 PolarHBondContact O-N 2.93Å; K490-L492 PolarHBondContact O-N 3.38Å; L492-L508 HydrophobicContact CD2-CD1 4Å; L492-Q512 HydrophobicContact CD1-CG 4.06Å; L492-Q512 HydrophobicContact CD2-CG 3.51Å; L492-Q512 HydrophobicContact CG-CG 4.46Å; L492-L560 HydrophobicContact CD1-CD1 3.94Å |
| 493 | C | 49.8 | Very low | 57 | Low | 89 Ų | 89 | 100.4 Ų | 100.4 | 60% | 0.601 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -26.8 | 178.5 | -71.8 | 0 | 0 | 0 | 0 | 113.1 | G495 | C493-G495 PolarHBondContact O-N 3.16Š|
| 494 | D | 45.1 | Very low | 58.9 | Low | 117 Ų | 117 | 103.7 Ų | 103.7 | 63% | 0.626 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -80 | 99.6 | 176.5 | -69.7 | -31.1 | 0 | 0 | 0 | 109.5 | Q496 | D494-Q496 PolarHBondContact O-N 3.38Š|
| 495 | G | 48.3 | Very low | 60.4 | Low | 75 Ų | 75 | 102 Ų | 102 | 77% | 0.773 | 52% | 0.524 | S | S | * | . | trans | -71.2 | 68.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | C493 E497 | C493-G495 PolarHBondContact O-N 3.16Å; G495-E497 PolarHBondContact O-N 3.28Å; G495-E497 VanDerWaalsContact O-N 3.14Å | ||
| 496 | Q | 45.9 | Very low | 61.9 | Low | 127 Ų | 127 | 101.3 Ų | 101.3 | 59% | 0.593 | 53% | 0.525 | S | S | * | . | trans | -83.9 | 84.3 | -178 | -172.9 | 163.3 | -29.4 | 0 | 0 | 111.3 | D494 Q498 | D494-Q496 PolarHBondContact O-N 3.38Å; Q496-Q498 VanDerWaalsContact C-N 3.26Å; Q496-Q498 HydrophobicContact CG-CB 4.13Å; Q496-Q498 HydrophobicContact CG-CG 3.76Å; Q496-Q498 PolarHBondContact O-N 3.47Å | ||
| 497 | E | 53.9 | Low | 63.5 | Low | 194 Ų | 194 | 99.9 Ų | 99.9 | 91% | 0.907 | 52% | 0.519 | S | S | * | . | trans | -65.2 | 76 | 173.1 | -62.8 | 179.5 | 157.9 | 0 | 0 | 111.8 | G495 | G495-E497 PolarHBondContact O-N 3.28Å; G495-E497 VanDerWaalsContact O-N 3.14Å | ||
| 498 | Q | 52.2 | Low | 65.2 | Low | 123 Ų | 123 | 93.5 Ų | 93.5 | 58% | 0.575 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -128 | 62.3 | -176.9 | -70.9 | -169.9 | -2.8 | 0 | 0 | 113.8 | Q496 D500 | Q496-Q498 VanDerWaalsContact C-N 3.26Å; Q496-Q498 HydrophobicContact CG-CB 4.13Å; Q496-Q498 HydrophobicContact CG-CG 3.76Å; Q496-Q498 PolarHBondContact O-N 3.47Å; Q498-D500 VanDerWaalsContact C-N 3.28Å; Q498-D500 PolarHBondContact O-N 3.43Å |
| 499 | S | 50.7 | Low | 66.8 | Low | 127 Ų | 127 | 92.2 Ų | 92.2 | 89% | 0.888 | 49% | 0.492 | S | S | * | . | trans | 60.9 | 26.2 | 162.4 | 57.2 | 0 | 0 | 0 | 0 | 116.7 | S501 | S499-S501 PolarHBondContact O-N 2.86Š| ||
| 500 | D | 60.1 | Low | 68.4 | Low | 80 Ų | 80 | 92.8 Ų | 92.8 | 43% | 0.428 | 50% | 0.5 | S | S | . | . | trans | -55.1 | 134.5 | 170.8 | -69.6 | -13.5 | 0 | 0 | 0 | 110.8 | Q498 E504 H505 | Q498-D500 VanDerWaalsContact C-N 3.28Å; Q498-D500 PolarHBondContact O-N 3.43Å; D500-E504 HydrophobicContact CB-CB 4.19Å; D500-H505 PolarHBondContact O-CE1 3.16Å; D500-H505 PolarHBondContact O-ND1 2.85Å | ||
| 501 | S | 82.4 | Confident | 69.9 | Low | 47 Ų | 47 | 87.3 Ų | 87.3 | 33% | 0.329 | 48% | 0.482 | S | S | . | . | trans | -67.8 | 163.9 | 178.3 | 68 | 0 | 0 | 0 | 0 | 111.9 | S499 I503 E504 H505 | S499-S501 PolarHBondContact O-N 2.86Å; S501-I503 PolarHBondContact O-N 3.41Å; S501-I503 WeakPolarHBondContact OG-CG2 3.2Å; S501-E504 WeakPolarHBondContact CB-OE2 3.33Å; S501-E504 PolarHBondContact N-OE2 2.95Å; S501-E504 PolarHBondContact O-N 2.91Å; S501-E504 VanDerWaalsContact O-N 3.15Å; S501-E504 PolarHBondContact OG-N 2.96Å; S501-E504 PolarHBondContact OG-OE2 3.26Å; S501-H505 PolarHBondContact O-N 3.29Å; S501-H505 PolarHBondContact O-ND1 2.85Å | ||
| 502 | L | 85.3 | Confident | 71.4 | Confident | 80 Ų | 80 | 80.2 Ų | 80.2 | 42% | 0.419 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.2 | -33.6 | 174.7 | 178 | 58.1 | 0 | 0 | 0 | 112.2 | H505 I506 L571 C574 I575 | L502-H505 PolarHBondContact O-N 3.01Å; L502-I506 HydrophobicContact CD1-CD1 4.39Å; L502-I506 HydrophobicContact CD1-CG1 4.49Å; L502-I506 HydrophobicContact CG-CD1 4.1Å; L502-I506 VanDerWaalsContact O-CG1 3.27Å; L502-I506 WeakPolarHBondContact O-CG1 3.13Å; L502-I506 PolarHBondContact O-N 2.8Å; L502-L571 HydrophobicContact CD1-CD1 3.73Å; L502-C574 HydrophobicContact CD1-CB 3.72Å; L502-I575 HydrophobicContact CD1-CD1 4.26Å; L502-I575 HydrophobicContact CD1-CG1 3.92Å; L502-I575 HydrophobicContact CD2-CG1 4.33Å |
| 503 | I | 84.7 | Confident | 73.1 | Confident | 93 Ų | 93 | 81.3 Ų | 81.3 | 48% | 0.477 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -72.4 | -34.2 | 178.8 | -175 | 60.8 | 0 | 0 | 0 | 112 | S501 I506 Q507 | S501-I503 PolarHBondContact O-N 3.41Å; S501-I503 WeakPolarHBondContact OG-CG2 3.2Å; I503-I506 PolarHBondContact O-N 2.88Å; I503-Q507 HydrophobicContact CD1-CG 4.46Å; I503-Q507 WeakPolarHBondContact O-CB 3.36Å; I503-Q507 VanDerWaalsContact O-CG 3.29Å; I503-Q507 WeakPolarHBondContact O-CG 3.19Å; I503-Q507 PolarHBondContact O-N 3.06Å |
| 504 | E | 84.9 | Confident | 75.1 | Confident | 94 Ų | 94 | 82.7 Ų | 82.7 | 44% | 0.439 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.9 | -40.8 | 172.3 | -75.7 | 153.2 | 143.2 | 0 | 0 | 111.3 | D500 S501 I506 Q507 L508 | D500-E504 HydrophobicContact CB-CB 4.19Å; S501-E504 WeakPolarHBondContact CB-OE2 3.33Å; S501-E504 PolarHBondContact N-OE2 2.95Å; S501-E504 PolarHBondContact O-N 2.91Å; S501-E504 VanDerWaalsContact O-N 3.15Å; S501-E504 PolarHBondContact OG-N 2.96Å; S501-E504 PolarHBondContact OG-OE2 3.26Å; E504-I506 PolarHBondContact O-N 3.28Å; E504-Q507 PolarHBondContact O-N 3.15Å; E504-L508 WeakPolarHBondContact O-CB 3.44Å; E504-L508 PolarHBondContact O-N 3.44Å |
| 505 | H | 83.2 | Confident | 77.3 | Confident | 44 Ų | 44 | 77.8 Ų | 77.8 | 20% | 0.204 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.3 | -41.4 | 171.8 | -73.7 | 90.4 | 0 | 0 | 0 | 113.1 | D500 S501 L502 F509 H570 L571 | D500-H505 PolarHBondContact O-CE1 3.16Å; D500-H505 PolarHBondContact O-ND1 2.85Å; S501-H505 PolarHBondContact O-N 3.29Å; S501-H505 PolarHBondContact O-ND1 2.85Å; L502-H505 PolarHBondContact O-N 3.01Å; H505-F509 VanDerWaalsContact O-CB 3.3Å; H505-F509 WeakPolarHBondContact O-CB 3.47Å; H505-F509 PolarHBondContact O-N 3.43Å; H505-H570 AromaticContact CD2-CE1 3.59Å; H505-H570 AromaticContact CD2-ND1 3.28Å; H505-H570 PolarHBondContact CD2-ND1 3.16Å; H505-H570 VanDerWaalsContact CD2-ND1 3.28Å; H505-H570 AromaticContact CE1-CE1 3.95Å; H505-H570 AromaticContact NE2-CE1 3.16Å; H505-H570 PolarHBondContact NE2-CE1 2.58Å; H505-H570 AromaticContact NE2-ND1 3.38Å; H505-H570 PolarHBondContact NE2-ND1 3.16Å; H505-L571 HydrophobicContact CB-CD1 4.39Å |
| 506 | I | 87.4 | Confident | 79.3 | Confident | 57 Ų | 57 | 74.2 Ų | 74.2 | 29% | 0.292 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.6 | -48.9 | 174.8 | -69.5 | 164 | 0 | 0 | 0 | 110.6 | L502 I503 E504 L508 F509 C510 L571 I575 | L502-I506 HydrophobicContact CD1-CD1 4.39Å; L502-I506 HydrophobicContact CD1-CG1 4.49Å; L502-I506 HydrophobicContact CG-CD1 4.1Å; L502-I506 VanDerWaalsContact O-CG1 3.27Å; L502-I506 WeakPolarHBondContact O-CG1 3.13Å; L502-I506 PolarHBondContact O-N 2.8Å; I503-I506 PolarHBondContact O-N 2.88Å; E504-I506 PolarHBondContact O-N 3.28Å; I506-L508 PolarHBondContact O-N 2.88Å; I506-F509 PolarHBondContact O-N 3.43Å; I506-C510 WeakPolarHBondContact O-CB 3.26Å; I506-C510 PolarHBondContact O-N 2.82Å; I506-C510 PolarHBondContact O-SG 3.23Å; I506-L571 HydrophobicContact CG1-CD1 3.58Å; I506-L571 HydrophobicContact CG1-CD2 4.32Å; I506-I575 HydrophobicContact CD1-CD1 4.38Å |
| 507 | Q | 88.6 | Confident | 81.4 | Confident | 121 Ų | 121 | 71.8 Ų | 71.8 | 57% | 0.565 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.8 | -43.2 | -179.7 | -73.2 | 176.1 | 13.3 | 0 | 0 | 111.7 | I503 E504 C510 S511 | I503-Q507 HydrophobicContact CD1-CG 4.46Å; I503-Q507 WeakPolarHBondContact O-CB 3.36Å; I503-Q507 VanDerWaalsContact O-CG 3.29Å; I503-Q507 WeakPolarHBondContact O-CG 3.19Å; I503-Q507 PolarHBondContact O-N 3.06Å; E504-Q507 PolarHBondContact O-N 3.15Å; Q507-C510 PolarHBondContact O-N 3.29Å; Q507-S511 WeakPolarHBondContact O-CB 3.49Å; Q507-S511 PolarHBondContact O-N 2.91Å; Q507-S511 PolarHBondContact O-OG 2.8Å |
| 508 | L | 87.3 | Confident | 83.1 | Confident | 65 Ų | 65 | 66.1 Ų | 66.1 | 34% | 0.34 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.1 | -52.6 | 176.1 | -177.4 | 63.1 | 0 | 0 | 0 | 110.5 | L492 E504 I506 C510 S511 Q512 | L492-L508 HydrophobicContact CD2-CD1 4Å; E504-L508 WeakPolarHBondContact O-CB 3.44Å; E504-L508 PolarHBondContact O-N 3.44Å; I506-L508 PolarHBondContact O-N 2.88Å; L508-C510 PolarHBondContact O-N 3.3Å; L508-S511 PolarHBondContact O-N 3.3Å; L508-S511 PolarHBondContact O-OG 3.4Å; L508-Q512 VanDerWaalsContact O-CG 3.32Å; L508-Q512 WeakPolarHBondContact O-CG 3.31Å; L508-Q512 PolarHBondContact O-N 2.92Å |
| 509 | F | 89.6 | Confident | 84.8 | Confident | 15 Ų | 15 | 61.4 Ų | 61.4 | 7% | 0.066 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -55.6 | -48.5 | 176.3 | 173 | -106.5 | 0 | 0 | 0 | 112.4 | H505 I506 S511 Q512 L513 V564 A567 L571 L582 L586 | H505-F509 VanDerWaalsContact O-CB 3.3Å; H505-F509 WeakPolarHBondContact O-CB 3.47Å; H505-F509 PolarHBondContact O-N 3.43Å; I506-F509 PolarHBondContact O-N 3.43Å; F509-S511 VanDerWaalsContact C-N 3.34Å; F509-S511 PolarHBondContact O-N 3.41Å; F509-Q512 PolarHBondContact O-N 2.97Å; F509-L513 HydrophobicContact CE1-CD2 3.99Å; F509-L513 HydrophobicContact CZ-CD2 3.99Å; F509-L513 VanDerWaalsContact O-CB 3.29Å; F509-L513 WeakPolarHBondContact O-CB 3.29Å; F509-L513 PolarHBondContact O-N 3.49Å; F509-V564 HydrophobicContact CE2-CG1 3.91Å; F509-A567 HydrophobicContact CD2-CB 4.25Å; F509-L571 HydrophobicContact CB-CD2 4.11Å; F509-L571 HydrophobicContact CD1-CD2 3.72Å; F509-L571 HydrophobicContact CE1-CD2 4.38Å; F509-L571 HydrophobicContact CG-CD2 3.96Å; F509-L582 HydrophobicContact CE1-CD1 3.83Å; F509-L582 HydrophobicContact CZ-CD1 3.66Å; F509-L586 HydrophobicContact CE2-CD2 3.98Å; F509-L586 HydrophobicContact CZ-CD2 4.27Å |
| 510 | C | 89.1 | Confident | 86.6 | Confident | 68 Ų | 68 | 57 Ų | 57 | 46% | 0.459 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.4 | -41 | 177.9 | -71.5 | 0 | 0 | 0 | 0 | 112.4 | I506 Q507 L508 L513 E514 | I506-C510 WeakPolarHBondContact O-CB 3.26Å; I506-C510 PolarHBondContact O-N 2.82Å; I506-C510 PolarHBondContact O-SG 3.23Å; Q507-C510 PolarHBondContact O-N 3.29Å; L508-C510 PolarHBondContact O-N 3.3Å; C510-L513 PolarHBondContact O-N 3.3Å; C510-E514 WeakPolarHBondContact O-CB 3.43Å; C510-E514 PolarHBondContact O-N 3.47Å |
| 511 | S | 88.8 | Confident | 87.9 | Confident | 45 Ų | 45 | 60.7 Ų | 60.7 | 32% | 0.315 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.2 | -36.9 | 178.3 | 74.5 | 0 | 0 | 0 | 0 | 113.3 | Q507 L508 F509 L515 | Q507-S511 WeakPolarHBondContact O-CB 3.49Å; Q507-S511 PolarHBondContact O-N 2.91Å; Q507-S511 PolarHBondContact O-OG 2.8Å; L508-S511 PolarHBondContact O-N 3.3Å; L508-S511 PolarHBondContact O-OG 3.4Å; F509-S511 VanDerWaalsContact C-N 3.34Å; F509-S511 PolarHBondContact O-N 3.41Å; S511-L515 WeakPolarHBondContact O-CB 3.27Å; S511-L515 PolarHBondContact O-N 2.9Å |
| 512 | Q | 88.1 | Confident | 88.2 | Confident | 6 Ų | 6 | 59.3 Ų | 59.3 | 3% | 0.028 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.8 | -43.7 | 172.8 | -64.7 | 170.7 | 17 | 0 | 0 | 111 | L492 L508 F509 L515 L516 C563 V564 A567 | L492-Q512 HydrophobicContact CD1-CG 4.06Å; L492-Q512 HydrophobicContact CD2-CG 3.51Å; L492-Q512 HydrophobicContact CG-CG 4.46Å; L508-Q512 VanDerWaalsContact O-CG 3.32Å; L508-Q512 WeakPolarHBondContact O-CG 3.31Å; L508-Q512 PolarHBondContact O-N 2.92Å; F509-Q512 PolarHBondContact O-N 2.97Å; Q512-L515 PolarHBondContact O-N 3.44Å; Q512-L516 WeakPolarHBondContact O-CB 3.15Å; Q512-L516 PolarHBondContact O-N 3.36Å; Q512-C563 VanDerWaalsContact OE1-C 3.3Å; Q512-C563 PolarHBondContact OE1-O 3.12Å; Q512-V564 HydrophobicContact CB-CG2 3.59Å; Q512-A567 VanDerWaalsContact OE1-CB 3.25Å |
| 513 | L | 90.4 | Very high | 88.3 | Confident | 41 Ų | 41 | 55.6 Ų | 55.6 | 22% | 0.215 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.8 | -42.3 | -178.3 | 178.1 | 60.7 | 0 | 0 | 0 | 111.9 | F509 C510 L515 L516 I517 V564 I589 | F509-L513 HydrophobicContact CE1-CD2 3.99Å; F509-L513 HydrophobicContact CZ-CD2 3.99Å; F509-L513 VanDerWaalsContact O-CB 3.29Å; F509-L513 WeakPolarHBondContact O-CB 3.29Å; F509-L513 PolarHBondContact O-N 3.49Å; C510-L513 PolarHBondContact O-N 3.3Å; L513-L515 VanDerWaalsContact C-N 3.32Å; L513-L515 PolarHBondContact O-N 2.55Å; L513-L516 WeakPolarHBondContact O-CB 3.18Å; L513-L516 PolarHBondContact O-N 2.94Å; L513-I517 HydrophobicContact CD1-CD1 4.09Å; L513-I517 HydrophobicContact CD1-CG1 4.34Å; L513-I517 HydrophobicContact CG-CD1 4Å; L513-I517 VanDerWaalsContact O-CG1 3.28Å; L513-I517 WeakPolarHBondContact O-CG1 3.47Å; L513-I517 PolarHBondContact O-N 3.26Å; L513-V564 HydrophobicContact CD1-CG1 4.22Å; L513-I589 HydrophobicContact CD1-CD1 3.58Å |
| 514 | E | 91.3 | Very high | 88.4 | Confident | 118 Ų | 118 | 53.6 Ų | 53.6 | 55% | 0.551 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -59.8 | -45.3 | 173.4 | -166.1 | -162.9 | 148.1 | 0 | 0 | 110.7 | C510 L516 I517 Q518 | C510-E514 WeakPolarHBondContact O-CB 3.43Å; C510-E514 PolarHBondContact O-N 3.47Å; E514-L516 VanDerWaalsContact C-N 3.33Å; E514-L516 PolarHBondContact O-N 2.94Å; E514-I517 PolarHBondContact O-N 3.03Å; E514-Q518 WeakPolarHBondContact O-CG 3.25Å; E514-Q518 PolarHBondContact O-N 3.39Å; E514-Q518 PolarHBondContact OE1-NE2 3.41Å |
| 515 | L | 90.5 | Very high | 88.5 | Confident | 13 Ų | 13 | 54.3 Ų | 54.3 | 7% | 0.068 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.8 | -39.5 | 176.9 | 179 | 55.5 | 0 | 0 | 0 | 112.4 | R485 L488 S511 Q512 L513 Q518 Q519 L560 | R485-L515 HydrophobicContact CG-CD1 3.49Å; R485-L515 VanDerWaalsContact CG-CD1 3.49Å; R485-L515 HydrophobicContact CG-CD2 4.11Å; R485-L515 HydrophobicContact CG-CG 4.47Å; L488-L515 HydrophobicContact CD2-CD2 3.99Å; S511-L515 WeakPolarHBondContact O-CB 3.27Å; S511-L515 PolarHBondContact O-N 2.9Å; Q512-L515 PolarHBondContact O-N 3.44Å; L513-L515 VanDerWaalsContact C-N 3.32Å; L513-L515 PolarHBondContact O-N 2.55Å; L515-Q518 PolarHBondContact O-N 3.44Å; L515-Q519 HydrophobicContact CD1-CG 4.49Å; L515-Q519 PolarHBondContact O-N 3.4Å; L515-L560 HydrophobicContact CB-CD2 4.14Å; L515-L560 HydrophobicContact CD2-CD1 4.25Å; L515-L560 HydrophobicContact CD2-CD2 3.97Å; L515-L560 HydrophobicContact CG-CD2 3.6Å |
| 516 | L | 91.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.6 | -48.5 | 176.2 | -167.1 | 85.3 | 0 | 0 | 0 | 110.7 | Q512 L513 E514 Q518 Q519 L520 H557 L560 V564 I589 | Q512-L516 WeakPolarHBondContact O-CB 3.15Å; Q512-L516 PolarHBondContact O-N 3.36Å; L513-L516 WeakPolarHBondContact O-CB 3.18Å; L513-L516 PolarHBondContact O-N 2.94Å; E514-L516 VanDerWaalsContact C-N 3.33Å; E514-L516 PolarHBondContact O-N 2.94Å; L516-Q518 VanDerWaalsContact C-N 3.32Å; L516-Q518 PolarHBondContact O-N 3.43Å; L516-Q519 PolarHBondContact O-N 3.33Å; L516-L520 HydrophobicContact CD2-CD1 4.38Å; L516-L520 HydrophobicContact CG-CD1 4.31Å; L516-L520 WeakPolarHBondContact O-CG 3.45Å; L516-L520 PolarHBondContact O-N 3.37Å; L516-H557 WeakPolarHBondContact CD1-NE2 3.39Å; L516-L560 HydrophobicContact CB-CD2 4.1Å; L516-L560 HydrophobicContact CB-CG 4.46Å; L516-L560 HydrophobicContact CD1-CB 4.19Å; L516-L560 HydrophobicContact CD1-CD2 3.95Å; L516-L560 HydrophobicContact CD1-CG 3.79Å; L516-V564 HydrophobicContact CB-CG2 4.05Å; L516-V564 HydrophobicContact CD1-CG2 4.25Å; L516-V564 HydrophobicContact CD2-CB 4.28Å; L516-V564 HydrophobicContact CD2-CG1 4.18Å; L516-V564 HydrophobicContact CD2-CG2 4.13Å; L516-V564 HydrophobicContact CG-CG2 4.39Å; L516-I589 HydrophobicContact CD2-CD1 4.29Å; L516-I589 HydrophobicContact CD2-CG1 4.36Å; L516-I589 HydrophobicContact CD2-CG2 3.59Å |
| 517 | I | 89.9 | Confident | 88.2 | Confident | 77 Ų | 77 | 52.7 Ų | 52.7 | 40% | 0.395 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.7 | -44.2 | 176.4 | -68.8 | 164.1 | 0 | 0 | 0 | 110.6 | L513 E514 Q519 L520 Y521 | L513-I517 HydrophobicContact CD1-CD1 4.09Å; L513-I517 HydrophobicContact CD1-CG1 4.34Å; L513-I517 HydrophobicContact CG-CD1 4Å; L513-I517 VanDerWaalsContact O-CG1 3.28Å; L513-I517 WeakPolarHBondContact O-CG1 3.47Å; L513-I517 PolarHBondContact O-N 3.26Å; E514-I517 PolarHBondContact O-N 3.03Å; I517-Q519 VanDerWaalsContact C-N 3.3Å; I517-Q519 PolarHBondContact O-N 2.98Å; I517-L520 PolarHBondContact O-N 3.25Å; I517-Y521 HydrophobicContact CG2-CD2 3.82Å; I517-Y521 HydrophobicContact CG2-CE2 3.53Å; I517-Y521 WeakPolarHBondContact O-CD2 3.37Å; I517-Y521 PolarHBondContact O-N 3.49Å |
| 518 | Q | 88.8 | Confident | 87.9 | Confident | 75 Ų | 75 | 54.8 Ų | 54.8 | 35% | 0.35 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.5 | -31.5 | 175.7 | -68.6 | 176.7 | 17.7 | 0 | 0 | 113.3 | E514 L515 L516 G522 | E514-Q518 WeakPolarHBondContact O-CG 3.25Å; E514-Q518 PolarHBondContact O-N 3.39Å; E514-Q518 PolarHBondContact OE1-NE2 3.41Å; L515-Q518 PolarHBondContact O-N 3.44Å; L516-Q518 VanDerWaalsContact C-N 3.32Å; L516-Q518 PolarHBondContact O-N 3.43Å; Q518-G522 PolarHBondContact O-N 3.22Å |
| 519 | Q | 88.6 | Confident | 87.5 | Confident | 24 Ų | 24 | 59.1 Ų | 59.1 | 11% | 0.112 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -79 | -37.3 | 174.1 | -74.2 | -162.5 | -76.3 | 0 | 0 | 112.6 | L515 L516 I517 Y521 G522 L523 | L515-Q519 HydrophobicContact CD1-CG 4.49Å; L515-Q519 PolarHBondContact O-N 3.4Å; L516-Q519 PolarHBondContact O-N 3.33Å; I517-Q519 VanDerWaalsContact C-N 3.3Å; I517-Q519 PolarHBondContact O-N 2.98Å; Q519-Y521 VanDerWaalsContact C-N 3.3Å; Q519-Y521 PolarHBondContact O-N 3Å; Q519-G522 WeakPolarHBondContact O-CA 3.35Å; Q519-G522 PolarHBondContact O-N 3.32Å; Q519-L523 PolarHBondContact O-N 3.38Å |
| 520 | L | 87.8 | Confident | 86.9 | Confident | 33 Ų | 33 | 59.1 Ų | 59.1 | 17% | 0.173 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.8 | -39.1 | 174.1 | -75.3 | 171 | 0 | 0 | 0 | 111.9 | L516 I517 G522 L523 S524 H557 | L516-L520 HydrophobicContact CD2-CD1 4.38Å; L516-L520 HydrophobicContact CG-CD1 4.31Å; L516-L520 WeakPolarHBondContact O-CG 3.45Å; L516-L520 PolarHBondContact O-N 3.37Å; I517-L520 PolarHBondContact O-N 3.25Å; L520-G522 VanDerWaalsContact C-N 3.34Å; L520-L523 PolarHBondContact O-N 3.05Å; L520-S524 PolarHBondContact O-N 2.99Å; L520-S524 PolarHBondContact O-OG 3.04Å; L520-H557 VanDerWaalsContact CD2-CE1 3.42Å; L520-H557 WeakPolarHBondContact CD2-CE1 3.46Å |
| 521 | Y | 88.5 | Confident | 85.9 | Confident | 158 Ų | 158 | 59.3 Ų | 59.3 | 62% | 0.62 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -68 | -30.2 | 172.6 | -77.6 | -60 | 0 | 0 | 0 | 113.7 | I517 Q519 S524 Q525 | I517-Y521 HydrophobicContact CG2-CD2 3.82Å; I517-Y521 HydrophobicContact CG2-CE2 3.53Å; I517-Y521 WeakPolarHBondContact O-CD2 3.37Å; I517-Y521 PolarHBondContact O-N 3.49Å; Q519-Y521 VanDerWaalsContact C-N 3.3Å; Q519-Y521 PolarHBondContact O-N 3Å; Y521-S524 WeakPolarHBondContact CA-OG 3.37Å; Y521-S524 PolarHBondContact O-OG 3.49Å; Y521-Q525 WeakPolarHBondContact O-CG 3.29Å; Y521-Q525 PolarHBondContact O-N 3.35Å |
| 522 | G | 88.1 | Confident | 85.1 | Confident | 19 Ų | 19 | 60.9 Ų | 60.9 | 20% | 0.196 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.5 | -48.8 | 170 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q518 Q519 L520 S524 Q525 S526 | Q518-G522 PolarHBondContact O-N 3.22Å; Q519-G522 WeakPolarHBondContact O-CA 3.35Å; Q519-G522 PolarHBondContact O-N 3.32Å; L520-G522 VanDerWaalsContact C-N 3.34Å; G522-S524 PolarHBondContact O-N 3.35Å; G522-Q525 WeakPolarHBondContact O-CB 3.45Å; G522-Q525 PolarHBondContact O-N 2.97Å; G522-Q525 VanDerWaalsContact O-N 3.11Å; G522-S526 PolarHBondContact O-N 3.19Å; G522-S526 PolarHBondContact O-OG 2.87Å |
| 523 | L | 87.6 | Confident | 84.3 | Confident | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.5 | -36.6 | 177.5 | -79 | 164.3 | 0 | 0 | 0 | 113.7 | Q519 L520 Q525 S526 M527 F550 E553 L554 H557 L596 | Q519-L523 PolarHBondContact O-N 3.38Å; L520-L523 PolarHBondContact O-N 3.05Å; L523-Q525 VanDerWaalsContact C-N 3.34Å; L523-S526 WeakPolarHBondContact CA-OG 3.2Å; L523-S526 PolarHBondContact O-N 3.44Å; L523-S526 PolarHBondContact O-OG 3.41Å; L523-M527 VanDerWaalsContact O-CB 3.23Å; L523-M527 WeakPolarHBondContact O-CB 3.29Å; L523-M527 PolarHBondContact O-N 3.02Å; L523-F550 HydrophobicContact CD2-CD2 4.03Å; L523-F550 HydrophobicContact CD2-CE2 3.87Å; L523-E553 HydrophobicContact CD2-CB 3.75Å; L523-E553 HydrophobicContact CD2-CG 3.61Å; L523-E553 HydrophobicContact CG-CG 3.98Å; L523-L554 HydrophobicContact CD2-CG 4.21Å; L523-H557 HydrophobicContact CD1-CB 3.65Å; L523-L596 HydrophobicContact CB-CD2 4.05Å; L523-L596 HydrophobicContact CD1-CD2 3.87Å; L523-L596 HydrophobicContact CD2-CD2 4.36Å; L523-L596 HydrophobicContact CG-CD2 4.33Å |
| 524 | S | 87.2 | Confident | 83.4 | Confident | 51 Ų | 51 | 63.2 Ų | 63.2 | 36% | 0.357 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.5 | -35.8 | 174.3 | 62.8 | 0 | 0 | 0 | 0 | 112 | L520 Y521 G522 E528 | L520-S524 PolarHBondContact O-N 2.99Å; L520-S524 PolarHBondContact O-OG 3.04Å; Y521-S524 WeakPolarHBondContact CA-OG 3.37Å; Y521-S524 PolarHBondContact O-OG 3.49Å; G522-S524 PolarHBondContact O-N 3.35Å; S524-E528 WeakPolarHBondContact O-CB 3.3Å; S524-E528 PolarHBondContact O-N 3.08Å |
| 525 | Q | 86.5 | Confident | 82.5 | Confident | 108 Ų | 108 | 59.5 Ų | 59.5 | 51% | 0.505 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -74.8 | -29.8 | 176.5 | -68.5 | 175.2 | 19.8 | 0 | 0 | 113.1 | Y521 G522 L523 R529 | Y521-Q525 WeakPolarHBondContact O-CG 3.29Å; Y521-Q525 PolarHBondContact O-N 3.35Å; G522-Q525 WeakPolarHBondContact O-CB 3.45Å; G522-Q525 PolarHBondContact O-N 2.97Å; G522-Q525 VanDerWaalsContact O-N 3.11Å; L523-Q525 VanDerWaalsContact C-N 3.34Å; Q525-R529 WeakPolarHBondContact O-CG 3.47Å; Q525-R529 VanDerWaalsContact O-CZ 3.24Å; Q525-R529 PolarHBondContact O-NE 3.32Å; Q525-R529 PolarHBondContact O-NH2 3.32Å |
| 526 | S | 82.8 | Confident | 82.2 | Confident | 4 Ų | 4 | 64.1 Ų | 64.1 | 3% | 0.028 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -76.2 | -37.8 | 171.4 | 50.3 | 0 | 0 | 0 | 0 | 111.3 | G522 L523 E528 R529 I530 E553 | G522-S526 PolarHBondContact O-N 3.19Å; G522-S526 PolarHBondContact O-OG 2.87Å; L523-S526 WeakPolarHBondContact CA-OG 3.2Å; L523-S526 PolarHBondContact O-N 3.44Å; L523-S526 PolarHBondContact O-OG 3.41Å; S526-E528 PolarHBondContact O-N 3.32Å; S526-R529 PolarHBondContact O-N 3.1Å; S526-R529 VanDerWaalsContact O-N 3.16Å; S526-I530 WeakPolarHBondContact O-CG1 3.42Å; S526-E553 VanDerWaalsContact CB-OE2 3.26Å; S526-E553 WeakPolarHBondContact CB-OE2 3.3Å; S526-E553 PolarHBondContact OG-OE2 3.22Å |
| 527 | M | 81.7 | Confident | 81.9 | Confident | 64 Ų | 64 | 71.3 Ų | 71.3 | 32% | 0.315 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -56.4 | -45.8 | 170.5 | -172.7 | -176.4 | 76.7 | 0 | 0 | 112.3 | L523 R529 I530 F550 L596 H599 | L523-M527 VanDerWaalsContact O-CB 3.23Å; L523-M527 WeakPolarHBondContact O-CB 3.29Å; L523-M527 PolarHBondContact O-N 3.02Å; M527-R529 PolarHBondContact O-N 2.97Å; M527-I530 PolarHBondContact O-N 2.91Å; M527-I530 VanDerWaalsContact O-N 3.09Å; M527-F550 HydrophobicContact CB-CE2 4.04Å; M527-F550 HydrophobicContact CB-CZ 4.38Å; M527-L596 HydrophobicContact SD-CD1 3.88Å; M527-H599 VanDerWaalsContact CG-CD2 3.49Å; M527-H599 WeakPolarHBondContact CG-CD2 3.19Å; M527-H599 WeakPolarHBondContact CG-NE2 3.4Å; M527-H599 VanDerWaalsContact SD-CD2 3.56Å |
| 528 | E | 82 | Confident | 81.7 | Confident | 164 Ų | 164 | 73 Ų | 73 | 77% | 0.766 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -59.9 | -26.7 | 178 | -174 | 175.2 | -159.9 | 0 | 0 | 113.5 | S524 S526 | S524-E528 WeakPolarHBondContact O-CB 3.3Å; S524-E528 PolarHBondContact O-N 3.08Å; S526-E528 PolarHBondContact O-N 3.32Å |
| 529 | R | 78.8 | Confident | 81.6 | Confident | 157 Ų | 157 | 70.9 Ų | 70.9 | 59% | 0.592 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -78.3 | -21.7 | 177.5 | -67.3 | 172.9 | -131 | 133.9 | 4.1 | 113.4 | Q525 S526 M527 A531 | Q525-R529 WeakPolarHBondContact O-CG 3.47Å; Q525-R529 VanDerWaalsContact O-CZ 3.24Å; Q525-R529 PolarHBondContact O-NE 3.32Å; Q525-R529 PolarHBondContact O-NH2 3.32Å; S526-R529 PolarHBondContact O-N 3.1Å; S526-R529 VanDerWaalsContact O-N 3.16Å; M527-R529 PolarHBondContact O-N 2.97Å; R529-A531 PolarHBondContact O-N 3.1Å |
| 530 | I | 76.9 | Confident | 81.5 | Confident | 14 Ų | 14 | 70 Ų | 70 | 7% | 0.072 | 39% | 0.392 | C | S | . | . | trans | -86.6 | 69.8 | -175.8 | -44.3 | 156.8 | 0 | 0 | 0 | 109.4 | S526 M527 D546 F550 V603 | S526-I530 WeakPolarHBondContact O-CG1 3.42Å; M527-I530 PolarHBondContact O-N 2.91Å; M527-I530 VanDerWaalsContact O-N 3.09Å; I530-D546 HydrophobicContact CG1-CB 4.37Å; I530-F550 HydrophobicContact CD1-CB 3.49Å; I530-F550 VanDerWaalsContact CD1-CB 3.49Å; I530-F550 HydrophobicContact CD1-CD1 3.58Å; I530-F550 HydrophobicContact CD1-CD2 4.07Å; I530-F550 HydrophobicContact CD1-CE1 4.26Å; I530-F550 HydrophobicContact CD1-CG 3.46Å; I530-F550 VanDerWaalsContact CD1-CG 3.46Å; I530-V603 HydrophobicContact CG2-CG1 3.58Å | ||
| 531 | A | 68.4 | Low | 81.5 | Confident | 72 Ų | 72 | 75.5 Ų | 75.5 | 60% | 0.595 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -61 | 150 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | R529 S543 | R529-A531 PolarHBondContact O-N 3.1Å; A531-S543 PolarHBondContact O-OG 2.82Å |
| 532 | A | 71.4 | Confident | 81.5 | Confident | 78 Ų | 78 | 70.6 Ų | 70.6 | 65% | 0.645 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 132.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | A534 | A532-A534 PolarHBondContact O-N 3.44Š|
| 533 | P | 72.5 | Confident | 81.5 | Confident | 18 Ų | 18 | 70 Ų | 70 | 12% | 0.117 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -65 | 130.7 | -173.9 | 24.8 | -33.8 | 0 | 0 | 0 | 111.6 | G535 V540 I607 A610 | P533-G535 PolarHBondContact O-N 3.05Å; P533-V540 HydrophobicContact CB-CG2 3.77Å; P533-V540 HydrophobicContact CG-CG2 4.44Å; P533-I607 HydrophobicContact CG-CG1 4.27Å; P533-A610 HydrophobicContact CB-CB 4.32Å; P533-A610 HydrophobicContact CG-CB 3.66Å |
| 534 | A | 70.6 | Confident | 81.5 | Confident | 78 Ų | 78 | 72.2 Ų | 72.2 | 65% | 0.645 | 41% | 0.408 | S | S | * | . | trans | -78.6 | 26.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | A532 D536 S539 | A532-A534 PolarHBondContact O-N 3.44Å; A534-D536 PolarHBondContact O-N 3.18Å; A534-D536 VanDerWaalsContact O-N 3.14Å; A534-S539 PolarHBondContact N-OG 2.77Å | ||
| 535 | G | 73 | Confident | 81.6 | Confident | 40 Ų | 40 | 72.4 Ų | 72.4 | 41% | 0.412 | 41% | 0.413 | S | S | . | . | S | Bend | trans | 75.8 | -16.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | P533 L614 | P533-G535 PolarHBondContact O-N 3.05Å; G535-L614 WeakPolarHBondContact O-CD1 3.5Å; G535-L614 WeakPolarHBondContact O-CD2 3.4Å; G535-L614 WeakPolarHBondContact O-CG 3.46Å |
| 536 | D | 83.3 | Confident | 81.7 | Confident | 110 Ų | 110 | 70.5 Ų | 70.5 | 59% | 0.588 | 41% | 0.406 | S | S | * | . | trans | -77.3 | 138.9 | 176 | -75.1 | -42.8 | 0 | 0 | 0 | 112.9 | A534 V538 S539 V540 | A534-D536 PolarHBondContact O-N 3.18Å; A534-D536 VanDerWaalsContact O-N 3.14Å; D536-V538 PolarHBondContact O-N 3.19Å; D536-V538 VanDerWaalsContact O-N 3.16Å; D536-S539 WeakPolarHBondContact O-CA 3.28Å; D536-S539 WeakPolarHBondContact O-CB 3.48Å; D536-S539 PolarHBondContact O-N 3.33Å; D536-V540 WeakPolarHBondContact O-CG2 3.44Å; D536-V540 PolarHBondContact O-N 3.19Å | ||
| 537 | F | 86 | Confident | 82.1 | Confident | 151 Ų | 151 | 70.7 Ų | 70.7 | 66% | 0.662 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -54.5 | -35.4 | 174.4 | 177.2 | -101.7 | 0 | 0 | 0 | 113.3 | K541 L614 | F537-K541 WeakPolarHBondContact O-CB 3.19Å; F537-K541 PolarHBondContact O-N 3.02Å; F537-L614 HydrophobicContact CB-CD1 4.27Å |
| 538 | V | 85.6 | Confident | 82.5 | Confident | 113 Ų | 113 | 72.2 Ų | 72.2 | 69% | 0.685 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -71.4 | -39.8 | 176.6 | -177.3 | 0 | 0 | 0 | 0 | 111.3 | D536 K541 S542 | D536-V538 PolarHBondContact O-N 3.19Å; D536-V538 VanDerWaalsContact O-N 3.16Å; V538-K541 PolarHBondContact O-N 2.87Å; V538-S542 PolarHBondContact O-N 3.46Å; V538-S542 PolarHBondContact O-OG 3.37Å |
| 539 | S | 85.8 | Confident | 82.8 | Confident | 30 Ų | 30 | 67.3 Ų | 67.3 | 21% | 0.21 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.3 | -41.3 | 176.8 | 178.9 | 0 | 0 | 0 | 0 | 111.9 | A534 D536 K541 S542 S543 | A534-S539 PolarHBondContact N-OG 2.77Å; D536-S539 WeakPolarHBondContact O-CA 3.28Å; D536-S539 WeakPolarHBondContact O-CB 3.48Å; D536-S539 PolarHBondContact O-N 3.33Å; S539-K541 VanDerWaalsContact C-N 3.33Å; S539-K541 PolarHBondContact O-N 3.42Å; S539-S542 PolarHBondContact O-N 3.06Å; S539-S542 PolarHBondContact O-OG 2.87Å; S539-S543 WeakPolarHBondContact O-CB 3.28Å; S539-S543 PolarHBondContact O-N 3.41Å |
| 540 | V | 87 | Confident | 83.3 | Confident | 7 Ų | 7 | 59.8 Ų | 59.8 | 4% | 0.042 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 171.9 | 169.6 | 0 | 0 | 0 | 0 | 110.8 | P533 D536 L544 I607 A610 M611 L614 | P533-V540 HydrophobicContact CB-CG2 3.77Å; P533-V540 HydrophobicContact CG-CG2 4.44Å; D536-V540 WeakPolarHBondContact O-CG2 3.44Å; D536-V540 PolarHBondContact O-N 3.19Å; V540-L544 VanDerWaalsContact O-CB 3.31Å; V540-L544 WeakPolarHBondContact O-CB 3.48Å; V540-L544 PolarHBondContact O-N 2.98Å; V540-I607 HydrophobicContact CG1-CG2 4.49Å; V540-A610 HydrophobicContact CG2-CB 3.95Å; V540-M611 HydrophobicContact CG1-CG 3.4Å; V540-M611 VanDerWaalsContact CG1-CG 3.4Å; V540-M611 HydrophobicContact CG1-SD 4.26Å; V540-L614 HydrophobicContact CG2-CD1 3.96Å |
| 541 | K | 88.3 | Confident | 83.9 | Confident | 147 Ų | 147 | 63.4 Ų | 63.4 | 64% | 0.639 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -67.5 | -37.7 | 178.4 | -173.7 | 179.1 | 176.8 | -175.6 | 0 | 113.3 | F537 V538 S539 A545 | F537-K541 WeakPolarHBondContact O-CB 3.19Å; F537-K541 PolarHBondContact O-N 3.02Å; V538-K541 PolarHBondContact O-N 2.87Å; S539-K541 VanDerWaalsContact C-N 3.33Å; S539-K541 PolarHBondContact O-N 3.42Å; K541-A545 PolarHBondContact O-N 3.35Å |
| 542 | S | 88.2 | Confident | 84.9 | Confident | 56 Ų | 56 | 66.8 Ų | 66.8 | 39% | 0.392 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -70.1 | -50 | 174.1 | 60.9 | 0 | 0 | 0 | 0 | 111 | V538 S539 L544 A545 D546 | V538-S542 PolarHBondContact O-N 3.46Å; V538-S542 PolarHBondContact O-OG 3.37Å; S539-S542 PolarHBondContact O-N 3.06Å; S539-S542 PolarHBondContact O-OG 2.87Å; S542-L544 PolarHBondContact O-N 3.32Å; S542-A545 CarbonylContact O-C 3.58Å; S542-A545 WeakPolarHBondContact O-CA 3.32Å; S542-A545 WeakPolarHBondContact O-CB 3.49Å; S542-A545 PolarHBondContact O-N 3.38Å; S542-D546 PolarHBondContact O-N 3.07Å; S542-D546 VanDerWaalsContact O-OD2 3.04Å |
| 543 | S | 87.3 | Confident | 85.7 | Confident | 6 Ų | 6 | 66 Ų | 66 | 4% | 0.042 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -54.3 | -38.8 | 177.7 | -173.3 | 0 | 0 | 0 | 0 | 112.3 | A531 S539 Y547 | A531-S543 PolarHBondContact O-OG 2.82Å; S539-S543 WeakPolarHBondContact O-CB 3.28Å; S539-S543 PolarHBondContact O-N 3.41Å; S543-Y547 WeakPolarHBondContact O-CB 3.17Å; S543-Y547 PolarHBondContact O-N 3.4Å |
| 544 | L | 89.4 | Confident | 86.5 | Confident | 49 Ų | 49 | 65.3 Ų | 65.3 | 26% | 0.257 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.1 | -35.7 | 173 | -179 | 61 | 0 | 0 | 0 | 113.7 | V540 S542 Q548 I607 | V540-L544 VanDerWaalsContact O-CB 3.31Å; V540-L544 WeakPolarHBondContact O-CB 3.48Å; V540-L544 PolarHBondContact O-N 2.98Å; S542-L544 PolarHBondContact O-N 3.32Å; L544-Q548 WeakPolarHBondContact O-CB 3.34Å; L544-Q548 VanDerWaalsContact O-CG 3.27Å; L544-Q548 WeakPolarHBondContact O-CG 3.44Å; L544-Q548 PolarHBondContact O-N 2.82Å; L544-I607 HydrophobicContact CB-CG2 4.32Å; L544-I607 HydrophobicContact CD1-CG2 4.4Å |
| 545 | A | 89.2 | Confident | 87.3 | Confident | 55 Ų | 55 | 65.3 Ų | 65.3 | 46% | 0.455 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -72.6 | -40.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K541 S542 Q548 S549 | K541-A545 PolarHBondContact O-N 3.35Å; S542-A545 CarbonylContact O-C 3.58Å; S542-A545 WeakPolarHBondContact O-CA 3.32Å; S542-A545 WeakPolarHBondContact O-CB 3.49Å; S542-A545 PolarHBondContact O-N 3.38Å; A545-Q548 PolarHBondContact O-N 3.33Å; A545-S549 PolarHBondContact O-N 3.23Å |
| 546 | D | 88.4 | Confident | 87.9 | Confident | 67 Ų | 67 | 66 Ų | 66 | 36% | 0.358 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 174.6 | -62.4 | -44.1 | 0 | 0 | 0 | 110.3 | I530 S542 Q548 S549 F550 | I530-D546 HydrophobicContact CG1-CB 4.37Å; S542-D546 PolarHBondContact O-N 3.07Å; S542-D546 VanDerWaalsContact O-OD2 3.04Å; D546-Q548 PolarHBondContact O-N 3.44Å; D546-S549 WeakPolarHBondContact O-CA 3.45Å; D546-S549 WeakPolarHBondContact O-CB 3.49Å; D546-S549 PolarHBondContact O-N 2.98Å; D546-S549 PolarHBondContact O-OG 3.35Å; D546-F550 PolarHBondContact O-N 3.11Å |
| 547 | Y | 90 | Very high | 88.1 | Confident | 9 Ų | 9 | 60.7 Ų | 60.7 | 4% | 0.035 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -55.3 | -45.7 | 171 | 176.1 | -96.8 | 0 | 0 | 0 | 112.6 | S543 S549 F550 Q551 S600 V603 F604 I607 | S543-Y547 WeakPolarHBondContact O-CB 3.17Å; S543-Y547 PolarHBondContact O-N 3.4Å; Y547-S549 PolarHBondContact O-N 3.34Å; Y547-F550 PolarHBondContact O-N 2.94Å; Y547-Q551 WeakPolarHBondContact O-CB 3.32Å; Y547-Q551 PolarHBondContact O-N 3.01Å; Y547-S600 WeakPolarHBondContact CE2-O 3.36Å; Y547-S600 WeakPolarHBondContact CE2-OG 3.39Å; Y547-S600 PolarHBondContact OH-OG 3.09Å; Y547-V603 HydrophobicContact CD2-CB 4.49Å; Y547-V603 HydrophobicContact CD2-CG1 3.81Å; Y547-V603 HydrophobicContact CE2-CG1 4.49Å; Y547-F604 HydrophobicContact CD1-CD2 4.27Å; Y547-F604 HydrophobicContact CE1-CB 4.37Å; Y547-F604 AromaticContact CE1-CD2 3.67Å; Y547-F604 HydrophobicContact CE1-CD2 3.67Å; Y547-F604 HydrophobicContact CE1-CE2 4.41Å; Y547-F604 HydrophobicContact CE1-CG 4.33Å; Y547-F604 HydrophobicContact CE2-CB 3.94Å; Y547-F604 AromaticContact CZ-CD2 3.93Å; Y547-I607 HydrophobicContact CG-CD1 4.2Å |
| 548 | Q | 90.1 | Very high | 88.2 | Confident | 95 Ų | 95 | 57.5 Ų | 57.5 | 44% | 0.444 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.1 | -23.1 | 175.5 | -76.5 | 176.2 | 30 | 0 | 0 | 113.6 | L544 A545 D546 K552 | L544-Q548 WeakPolarHBondContact O-CB 3.34Å; L544-Q548 VanDerWaalsContact O-CG 3.27Å; L544-Q548 WeakPolarHBondContact O-CG 3.44Å; L544-Q548 PolarHBondContact O-N 2.82Å; A545-Q548 PolarHBondContact O-N 3.33Å; D546-Q548 PolarHBondContact O-N 3.44Å; Q548-K552 VanDerWaalsContact O-CD 3.31Å; Q548-K552 WeakPolarHBondContact O-CD 3.43Å; Q548-K552 WeakPolarHBondContact O-CE 3.46Å; Q548-K552 WeakPolarHBondContact O-CG 3.42Å |
| 549 | S | 88.4 | Confident | 88.3 | Confident | 61 Ų | 61 | 54.8 Ų | 54.8 | 43% | 0.427 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -77.2 | -45.8 | 172.9 | 82.6 | 0 | 0 | 0 | 0 | 111 | A545 D546 Y547 K552 E553 | A545-S549 PolarHBondContact O-N 3.23Å; D546-S549 WeakPolarHBondContact O-CA 3.45Å; D546-S549 WeakPolarHBondContact O-CB 3.49Å; D546-S549 PolarHBondContact O-N 2.98Å; D546-S549 PolarHBondContact O-OG 3.35Å; Y547-S549 PolarHBondContact O-N 3.34Å; S549-K552 WeakPolarHBondContact O-CB 3.49Å; S549-K552 PolarHBondContact O-N 3.48Å; S549-E553 PolarHBondContact O-N 3.13Å; S549-E553 VanDerWaalsContact O-N 3.16Å |
| 550 | F | 89.6 | Confident | 88.5 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 176.8 | 172.3 | -111.8 | 0 | 0 | 0 | 112.6 | L523 M527 I530 D546 Y547 K552 E553 L554 L596 | L523-F550 HydrophobicContact CD2-CD2 4.03Å; L523-F550 HydrophobicContact CD2-CE2 3.87Å; M527-F550 HydrophobicContact CB-CE2 4.04Å; M527-F550 HydrophobicContact CB-CZ 4.38Å; I530-F550 HydrophobicContact CD1-CB 3.49Å; I530-F550 VanDerWaalsContact CD1-CB 3.49Å; I530-F550 HydrophobicContact CD1-CD1 3.58Å; I530-F550 HydrophobicContact CD1-CD2 4.07Å; I530-F550 HydrophobicContact CD1-CE1 4.26Å; I530-F550 HydrophobicContact CD1-CG 3.46Å; I530-F550 VanDerWaalsContact CD1-CG 3.46Å; D546-F550 PolarHBondContact O-N 3.11Å; Y547-F550 PolarHBondContact O-N 2.94Å; F550-K552 PolarHBondContact O-N 2.87Å; F550-E553 WeakPolarHBondContact O-CB 3.42Å; F550-E553 PolarHBondContact O-N 3.08Å; F550-L554 HydrophobicContact CD1-CD1 4.11Å; F550-L554 HydrophobicContact CE1-CD1 3.52Å; F550-L554 HydrophobicContact CE1-CG 4.47Å; F550-L554 HydrophobicContact CE2-CD1 4.37Å; F550-L554 HydrophobicContact CZ-CD1 3.68Å; F550-L554 HydrophobicContact CZ-CG 4.27Å; F550-L554 WeakPolarHBondContact O-CB 3.2Å; F550-L554 PolarHBondContact O-N 2.99Å; F550-L596 HydrophobicContact CE2-CD1 4.15Å; F550-L596 HydrophobicContact CZ-CD1 3.8Å; F550-L596 HydrophobicContact CZ-CG 4.18Å |
| 551 | Q | 90.3 | Very high | 88.7 | Confident | 89 Ų | 89 | 53.2 Ų | 53.2 | 42% | 0.416 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.4 | -31.2 | 177.5 | -165.2 | 179.3 | 21.3 | 0 | 0 | 112.4 | Y547 S555 | Y547-Q551 WeakPolarHBondContact O-CB 3.32Å; Y547-Q551 PolarHBondContact O-N 3.01Å; Q551-S555 WeakPolarHBondContact O-CB 3.32Å; Q551-S555 PolarHBondContact O-N 2.73Å; Q551-S555 PolarHBondContact O-OG 2.82Å |
| 552 | K | 89.6 | Confident | 88.7 | Confident | 143 Ų | 143 | 48.6 Ų | 48.6 | 62% | 0.622 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -73 | -39.5 | 172.7 | -68 | 165.8 | -171.8 | 164.9 | 0 | 111.9 | Q548 S549 F550 S555 S556 | Q548-K552 VanDerWaalsContact O-CD 3.31Å; Q548-K552 WeakPolarHBondContact O-CD 3.43Å; Q548-K552 WeakPolarHBondContact O-CE 3.46Å; Q548-K552 WeakPolarHBondContact O-CG 3.42Å; S549-K552 WeakPolarHBondContact O-CB 3.49Å; S549-K552 PolarHBondContact O-N 3.48Å; F550-K552 PolarHBondContact O-N 2.87Å; K552-S555 PolarHBondContact O-N 2.87Å; K552-S556 PolarHBondContact O-N 2.81Å |
| 553 | E | 88.3 | Confident | 88.8 | Confident | 63 Ų | 63 | 46.3 Ų | 46.3 | 29% | 0.294 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.8 | -46.1 | 174.8 | -161.7 | 174.3 | -159.5 | 0 | 0 | 110.9 | L523 S526 S549 F550 S555 S556 H557 | L523-E553 HydrophobicContact CD2-CB 3.75Å; L523-E553 HydrophobicContact CD2-CG 3.61Å; L523-E553 HydrophobicContact CG-CG 3.98Å; S526-E553 VanDerWaalsContact CB-OE2 3.26Å; S526-E553 WeakPolarHBondContact CB-OE2 3.3Å; S526-E553 PolarHBondContact OG-OE2 3.22Å; S549-E553 PolarHBondContact O-N 3.13Å; S549-E553 VanDerWaalsContact O-N 3.16Å; F550-E553 WeakPolarHBondContact O-CB 3.42Å; F550-E553 PolarHBondContact O-N 3.08Å; E553-S555 VanDerWaalsContact C-N 3.34Å; E553-S555 PolarHBondContact O-N 3.14Å; E553-S556 WeakPolarHBondContact O-CB 3.33Å; E553-S556 PolarHBondContact O-N 2.89Å; E553-S556 PolarHBondContact O-OG 3.41Å; E553-H557 PolarHBondContact O-N 3.19Å; E553-H557 VanDerWaalsContact O-N 3.12Å |
| 554 | L | 88.8 | Confident | 89 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.1 | -47.2 | 172.5 | -109.3 | 170.4 | 0 | 0 | 0 | 111.7 | L523 F550 S556 H557 Q558 L596 | L523-L554 HydrophobicContact CD2-CG 4.21Å; F550-L554 HydrophobicContact CD1-CD1 4.11Å; F550-L554 HydrophobicContact CE1-CD1 3.52Å; F550-L554 HydrophobicContact CE1-CG 4.47Å; F550-L554 HydrophobicContact CE2-CD1 4.37Å; F550-L554 HydrophobicContact CZ-CD1 3.68Å; F550-L554 HydrophobicContact CZ-CG 4.27Å; F550-L554 WeakPolarHBondContact O-CB 3.2Å; F550-L554 PolarHBondContact O-N 2.99Å; L554-S556 VanDerWaalsContact C-N 3.26Å; L554-S556 PolarHBondContact O-N 3.02Å; L554-H557 PolarHBondContact O-N 3.26Å; L554-H557 VanDerWaalsContact O-N 3.12Å; L554-Q558 PolarHBondContact O-N 3.31Å; L554-Q558 VanDerWaalsContact O-N 3.14Å; L554-L596 HydrophobicContact CD2-CD2 3.75Å; L554-L596 HydrophobicContact CD2-CG 4.05Å; L554-L596 HydrophobicContact CG-CD2 4.22Å; L554-L596 HydrophobicContact CG-CG 4.43Å |
| 555 | S | 87.8 | Confident | 89.1 | Confident | 78 Ų | 78 | 45.1 Ų | 45.1 | 55% | 0.545 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.3 | -31.9 | 177.1 | -60.1 | 0 | 0 | 0 | 0 | 112.6 | Q551 K552 E553 P559 | Q551-S555 WeakPolarHBondContact O-CB 3.32Å; Q551-S555 PolarHBondContact O-N 2.73Å; Q551-S555 PolarHBondContact O-OG 2.82Å; K552-S555 PolarHBondContact O-N 2.87Å; E553-S555 VanDerWaalsContact C-N 3.34Å; E553-S555 PolarHBondContact O-N 3.14Å; S555-P559 VanDerWaalsContact O-CD 3.32Å; S555-P559 WeakPolarHBondContact O-CD 3.45Å |
| 556 | S | 85.6 | Confident | 89.1 | Confident | 53 Ų | 53 | 49 Ų | 49 | 37% | 0.371 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -75.8 | -23.8 | 176.1 | 81.7 | 0 | 0 | 0 | 0 | 113.6 | K552 E553 L554 P559 | K552-S556 PolarHBondContact O-N 2.81Å; E553-S556 WeakPolarHBondContact O-CB 3.33Å; E553-S556 PolarHBondContact O-N 2.89Å; E553-S556 PolarHBondContact O-OG 3.41Å; L554-S556 VanDerWaalsContact C-N 3.26Å; L554-S556 PolarHBondContact O-N 3.02Å; S556-P559 WeakPolarHBondContact O-CG 3.5Å |
| 557 | H | 86.4 | Confident | 89.1 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -87.6 | -32.3 | -177.2 | -179.7 | -102.8 | 0 | 0 | 0 | 113.5 | L516 L520 L523 E553 L554 L560 T561 | L516-H557 WeakPolarHBondContact CD1-NE2 3.39Å; L520-H557 VanDerWaalsContact CD2-CE1 3.42Å; L520-H557 WeakPolarHBondContact CD2-CE1 3.46Å; L523-H557 HydrophobicContact CD1-CB 3.65Å; E553-H557 PolarHBondContact O-N 3.19Å; E553-H557 VanDerWaalsContact O-N 3.12Å; L554-H557 PolarHBondContact O-N 3.26Å; L554-H557 VanDerWaalsContact O-N 3.12Å; H557-L560 PolarHBondContact O-N 3.49Å; H557-T561 PolarHBondContact CE1-OG1 3.25Å; H557-T561 PolarHBondContact ND1-OG1 3.48Å; H557-T561 PolarHBondContact O-N 3Å; H557-T561 PolarHBondContact O-OG1 2.72Å |
| 558 | Q | 88.3 | Confident | 89 | Confident | 84 Ų | 84 | 46.2 Ų | 46.2 | 39% | 0.393 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -47 | -52.4 | 174.7 | -83.1 | -69.2 | -8.8 | 0 | 0 | 114.8 | L554 L560 T561 S562 | L554-Q558 PolarHBondContact O-N 3.31Å; L554-Q558 VanDerWaalsContact O-N 3.14Å; Q558-L560 PolarHBondContact O-N 3.28Å; Q558-T561 WeakPolarHBondContact O-CB 3.38Å; Q558-T561 PolarHBondContact O-N 2.92Å; Q558-S562 PolarHBondContact O-N 2.94Å |
| 559 | P | 88.3 | Confident | 89 | Confident | 56 Ų | 56 | 47.7 Ų | 47.7 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.5 | -42 | 179.9 | 22.9 | -33.7 | 0 | 0 | 0 | 112.4 | S555 S556 T561 S562 C563 | S555-P559 VanDerWaalsContact O-CD 3.32Å; S555-P559 WeakPolarHBondContact O-CD 3.45Å; S556-P559 WeakPolarHBondContact O-CG 3.5Å; P559-T561 PolarHBondContact O-N 3.45Å; P559-S562 WeakPolarHBondContact O-CB 3.49Å; P559-S562 PolarHBondContact O-N 3.4Å; P559-S562 PolarHBondContact O-OG 3.32Å; P559-C563 PolarHBondContact O-N 3.12Å; P559-C563 PolarHBondContact O-SG 2.9Å |
| 560 | L | 89.2 | Confident | 88.8 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 177.6 | -176.6 | 65.7 | 0 | 0 | 0 | 111.8 | L489 L492 L515 L516 H557 Q558 S562 C563 V564 | L489-L560 HydrophobicContact CD2-CB 4.25Å; L489-L560 HydrophobicContact CD2-CD1 4.29Å; L492-L560 HydrophobicContact CD1-CD1 3.94Å; L515-L560 HydrophobicContact CB-CD2 4.14Å; L515-L560 HydrophobicContact CD2-CD1 4.25Å; L515-L560 HydrophobicContact CD2-CD2 3.97Å; L515-L560 HydrophobicContact CG-CD2 3.6Å; L516-L560 HydrophobicContact CB-CD2 4.1Å; L516-L560 HydrophobicContact CB-CG 4.46Å; L516-L560 HydrophobicContact CD1-CB 4.19Å; L516-L560 HydrophobicContact CD1-CD2 3.95Å; L516-L560 HydrophobicContact CD1-CG 3.79Å; H557-L560 PolarHBondContact O-N 3.49Å; Q558-L560 PolarHBondContact O-N 3.28Å; L560-S562 VanDerWaalsContact C-N 3.29Å; L560-S562 PolarHBondContact O-N 3.21Å; L560-C563 PolarHBondContact O-N 2.98Å; L560-C563 VanDerWaalsContact O-N 3.1Å; L560-V564 PolarHBondContact O-N 3.39Å |
| 561 | T | 90.8 | Very high | 88.8 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 3% | 0.025 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.3 | -47.1 | 174.1 | -47.8 | 0 | 0 | 0 | 0 | 110.3 | H557 Q558 P559 C563 V564 L565 I589 T593 | H557-T561 PolarHBondContact CE1-OG1 3.25Å; H557-T561 PolarHBondContact ND1-OG1 3.48Å; H557-T561 PolarHBondContact O-N 3Å; H557-T561 PolarHBondContact O-OG1 2.72Å; Q558-T561 WeakPolarHBondContact O-CB 3.38Å; Q558-T561 PolarHBondContact O-N 2.92Å; P559-T561 PolarHBondContact O-N 3.45Å; T561-C563 VanDerWaalsContact C-N 3.27Å; T561-C563 PolarHBondContact O-N 3Å; T561-V564 PolarHBondContact O-N 3.02Å; T561-L565 HydrophobicContact CG2-CD1 4.12Å; T561-L565 WeakPolarHBondContact O-CG 3.38Å; T561-L565 PolarHBondContact O-N 3.14Å; T561-I589 HydrophobicContact CG2-CG2 4.1Å; T561-T593 HydrophobicContact CG2-CG2 4.13Å |
| 562 | S | 89.8 | Confident | 88.7 | Confident | 50 Ų | 50 | 46.6 Ų | 46.6 | 35% | 0.35 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.1 | -33.2 | 177.8 | 86.6 | 0 | 0 | 0 | 0 | 113.1 | Q558 P559 L560 R566 | Q558-S562 PolarHBondContact O-N 2.94Å; P559-S562 WeakPolarHBondContact O-CB 3.49Å; P559-S562 PolarHBondContact O-N 3.4Å; P559-S562 PolarHBondContact O-OG 3.32Å; L560-S562 VanDerWaalsContact C-N 3.29Å; L560-S562 PolarHBondContact O-N 3.21Å; S562-R566 VanDerWaalsContact O-CB 3.28Å; S562-R566 WeakPolarHBondContact O-CB 3.37Å; S562-R566 PolarHBondContact O-N 3.38Å |
| 563 | C | 88.4 | Confident | 88.5 | Confident | 8 Ų | 8 | 44.3 Ų | 44.3 | 5% | 0.054 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -73.4 | -45.2 | 176.8 | -66.2 | 0 | 0 | 0 | 0 | 111.8 | Q512 P559 L560 T561 L565 R566 A567 | Q512-C563 VanDerWaalsContact OE1-C 3.3Å; Q512-C563 PolarHBondContact OE1-O 3.12Å; P559-C563 PolarHBondContact O-N 3.12Å; P559-C563 PolarHBondContact O-SG 2.9Å; L560-C563 PolarHBondContact O-N 2.98Å; L560-C563 VanDerWaalsContact O-N 3.1Å; T561-C563 VanDerWaalsContact C-N 3.27Å; T561-C563 PolarHBondContact O-N 3Å; C563-L565 VanDerWaalsContact C-N 3.33Å; C563-L565 PolarHBondContact O-N 3.34Å; C563-R566 PolarHBondContact O-N 2.88Å; C563-A567 VanDerWaalsContact O-CB 3.32Å; C563-A567 WeakPolarHBondContact O-CB 3.48Å; C563-A567 PolarHBondContact O-N 3.39Å |
| 564 | V | 91.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.2 | -44.6 | 175 | 173 | 0 | 0 | 0 | 0 | 111.1 | F509 Q512 L513 L516 L560 T561 G568 L586 I589 | F509-V564 HydrophobicContact CE2-CG1 3.91Å; Q512-V564 HydrophobicContact CB-CG2 3.59Å; L513-V564 HydrophobicContact CD1-CG1 4.22Å; L516-V564 HydrophobicContact CB-CG2 4.05Å; L516-V564 HydrophobicContact CD1-CG2 4.25Å; L516-V564 HydrophobicContact CD2-CB 4.28Å; L516-V564 HydrophobicContact CD2-CG1 4.18Å; L516-V564 HydrophobicContact CD2-CG2 4.13Å; L516-V564 HydrophobicContact CG-CG2 4.39Å; L560-V564 PolarHBondContact O-N 3.39Å; T561-V564 PolarHBondContact O-N 3.02Å; V564-G568 PolarHBondContact O-N 3.48Å; V564-L586 HydrophobicContact CG1-CD2 4.47Å; V564-I589 HydrophobicContact CG1-CD1 4.18Å |
| 565 | L | 91.3 | Very high | 87.7 | Confident | 29 Ų | 29 | 47.4 Ų | 47.4 | 15% | 0.152 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 177.3 | -68 | 174.9 | 0 | 0 | 0 | 111.6 | T561 C563 Q569 L586 I589 E590 | T561-L565 HydrophobicContact CG2-CD1 4.12Å; T561-L565 WeakPolarHBondContact O-CG 3.38Å; T561-L565 PolarHBondContact O-N 3.14Å; C563-L565 VanDerWaalsContact C-N 3.33Å; C563-L565 PolarHBondContact O-N 3.34Å; L565-Q569 WeakPolarHBondContact O-CB 3.34Å; L565-Q569 WeakPolarHBondContact O-CG 3.2Å; L565-Q569 PolarHBondContact O-N 3.09Å; L565-L586 HydrophobicContact CD2-CB 4.08Å; L565-L586 HydrophobicContact CD2-CD2 4.05Å; L565-L586 WeakPolarHBondContact CD2-O 3.34Å; L565-I589 HydrophobicContact CD2-CG2 4.34Å; L565-E590 HydrophobicContact CD1-CB 4.41Å; L565-E590 HydrophobicContact CD2-CB 4.49Å |
| 566 | R | 90.4 | Very high | 86.7 | Confident | 136 Ų | 136 | 49.9 Ų | 49.9 | 51% | 0.513 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 177.2 | -169.4 | -173.7 | -53.7 | 117.2 | 13.8 | 112.5 | S562 C563 Q569 H570 | S562-R566 VanDerWaalsContact O-CB 3.28Å; S562-R566 WeakPolarHBondContact O-CB 3.37Å; S562-R566 PolarHBondContact O-N 3.38Å; C563-R566 PolarHBondContact O-N 2.88Å; R566-Q569 PolarHBondContact O-N 3.19Å; R566-H570 WeakPolarHBondContact O-CB 3.44Å; R566-H570 PolarHBondContact O-N 3.45Å |
| 567 | A | 87.9 | Confident | 85.7 | Confident | 19 Ų | 19 | 50.3 Ų | 50.3 | 16% | 0.157 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67 | -39.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F509 Q512 C563 H570 L571 | F509-A567 HydrophobicContact CD2-CB 4.25Å; Q512-A567 VanDerWaalsContact OE1-CB 3.25Å; C563-A567 VanDerWaalsContact O-CB 3.32Å; C563-A567 WeakPolarHBondContact O-CB 3.48Å; C563-A567 PolarHBondContact O-N 3.39Å; A567-H570 PolarHBondContact O-N 2.89Å; A567-L571 VanDerWaalsContact O-CB 3.25Å; A567-L571 WeakPolarHBondContact O-CB 3.47Å; A567-L571 PolarHBondContact O-N 3.3Å |
| 568 | G | 89.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V564 L571 L572 | V564-G568 PolarHBondContact O-N 3.48Å; G568-L571 PolarHBondContact O-N 2.97Å; G568-L572 WeakPolarHBondContact O-CB 3.12Å; G568-L572 PolarHBondContact O-N 3.46Å |
| 569 | Q | 88.3 | Confident | 83.7 | Confident | 126 Ų | 126 | 53.6 Ų | 53.6 | 59% | 0.589 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -63.1 | -41.6 | 173.5 | -74.4 | 168.9 | 7.9 | 0 | 0 | 112.1 | L565 R566 L572 S573 | L565-Q569 WeakPolarHBondContact O-CB 3.34Å; L565-Q569 WeakPolarHBondContact O-CG 3.2Å; L565-Q569 PolarHBondContact O-N 3.09Å; R566-Q569 PolarHBondContact O-N 3.19Å; Q569-L572 PolarHBondContact O-N 2.89Å; Q569-S573 PolarHBondContact O-N 3.09Å |
| 570 | H | 86.2 | Confident | 83.2 | Confident | 92 Ų | 92 | 54.9 Ų | 54.9 | 43% | 0.426 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.3 | -48.7 | 174.7 | -170.5 | -89.5 | 0 | 0 | 0 | 111.3 | H505 R566 A567 L572 S573 C574 | H505-H570 AromaticContact CD2-CE1 3.59Å; H505-H570 AromaticContact CD2-ND1 3.28Å; H505-H570 PolarHBondContact CD2-ND1 3.16Å; H505-H570 VanDerWaalsContact CD2-ND1 3.28Å; H505-H570 AromaticContact CE1-CE1 3.95Å; H505-H570 AromaticContact NE2-CE1 3.16Å; H505-H570 PolarHBondContact NE2-CE1 2.58Å; H505-H570 AromaticContact NE2-ND1 3.38Å; H505-H570 PolarHBondContact NE2-ND1 3.16Å; R566-H570 WeakPolarHBondContact O-CB 3.44Å; R566-H570 PolarHBondContact O-N 3.45Å; A567-H570 PolarHBondContact O-N 2.89Å; H570-L572 VanDerWaalsContact C-N 3.28Å; H570-L572 PolarHBondContact O-N 3.05Å; H570-S573 WeakPolarHBondContact O-CA 3.38Å; H570-S573 WeakPolarHBondContact O-CB 3.23Å; H570-S573 PolarHBondContact O-N 3Å; H570-C574 PolarHBondContact O-N 3.32Å; H570-C574 PolarHBondContact O-SG 2.71Å |
| 571 | L | 87.9 | Confident | 83.1 | Confident | 9 Ų | 9 | 62.1 Ų | 62.1 | 5% | 0.047 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.7 | -39.1 | 176.9 | -177.2 | 61.8 | 0 | 0 | 0 | 112.4 | L502 H505 I506 F509 A567 G568 S573 C574 I575 L582 | L502-L571 HydrophobicContact CD1-CD1 3.73Å; H505-L571 HydrophobicContact CB-CD1 4.39Å; I506-L571 HydrophobicContact CG1-CD1 3.58Å; I506-L571 HydrophobicContact CG1-CD2 4.32Å; F509-L571 HydrophobicContact CB-CD2 4.11Å; F509-L571 HydrophobicContact CD1-CD2 3.72Å; F509-L571 HydrophobicContact CE1-CD2 4.38Å; F509-L571 HydrophobicContact CG-CD2 3.96Å; A567-L571 VanDerWaalsContact O-CB 3.25Å; A567-L571 WeakPolarHBondContact O-CB 3.47Å; A567-L571 PolarHBondContact O-N 3.3Å; G568-L571 PolarHBondContact O-N 2.97Å; L571-S573 VanDerWaalsContact C-N 3.32Å; L571-S573 PolarHBondContact O-N 2.95Å; L571-C574 PolarHBondContact O-N 3.23Å; L571-I575 HydrophobicContact CD1-CD1 3.63Å; L571-I575 HydrophobicContact CD1-CG1 4.11Å; L571-I575 HydrophobicContact CG-CD1 3.98Å; L571-I575 WeakPolarHBondContact O-CG1 3.5Å; L571-I575 PolarHBondContact O-N 3.3Å; L571-L582 HydrophobicContact CB-CD2 4.38Å; L571-L582 HydrophobicContact CD2-CD2 4.12Å; L571-L582 HydrophobicContact CG-CD2 4.1Å |
| 572 | L | 88.1 | Confident | 83 | Confident | 26 Ų | 26 | 62.7 Ų | 62.7 | 14% | 0.136 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.7 | -31.5 | 175.5 | -175.9 | 70.3 | 0 | 0 | 0 | 112.8 | G568 Q569 H570 S577 L582 K583 | G568-L572 WeakPolarHBondContact O-CB 3.12Å; G568-L572 PolarHBondContact O-N 3.46Å; Q569-L572 PolarHBondContact O-N 2.89Å; H570-L572 VanDerWaalsContact C-N 3.28Å; H570-L572 PolarHBondContact O-N 3.05Å; L572-S577 WeakPolarHBondContact O-CA 3.42Å; L572-S577 PolarHBondContact O-N 2.99Å; L572-L582 HydrophobicContact CB-CD2 4.01Å; L572-L582 HydrophobicContact CD1-CB 4.3Å; L572-L582 HydrophobicContact CD1-CD2 4.19Å; L572-L582 HydrophobicContact CD1-CG 4.4Å; L572-K583 HydrophobicContact CD1-CD 4.4Å; L572-K583 HydrophobicContact CD1-CG 3.9Å; L572-K583 HydrophobicContact CD2-CD 4.28Å; L572-K583 HydrophobicContact CD2-CG 3.49Å; L572-K583 VanDerWaalsContact CD2-CG 3.49Å; L572-K583 HydrophobicContact CG-CG 4.33Å |
| 573 | S | 85.3 | Confident | 82.9 | Confident | 94 Ų | 94 | 64.8 Ų | 64.8 | 66% | 0.657 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -66.6 | -46.9 | 169.5 | -163.6 | 0 | 0 | 0 | 0 | 110.8 | Q569 H570 L571 N576 | Q569-S573 PolarHBondContact O-N 3.09Å; H570-S573 WeakPolarHBondContact O-CA 3.38Å; H570-S573 WeakPolarHBondContact O-CB 3.23Å; H570-S573 PolarHBondContact O-N 3Å; L571-S573 VanDerWaalsContact C-N 3.32Å; L571-S573 PolarHBondContact O-N 2.95Å; S573-N576 PolarHBondContact O-N 2.98Å |
| 574 | C | 81.6 | Confident | 83 | Confident | 59 Ų | 59 | 69 Ų | 69 | 40% | 0.399 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 179.3 | -56 | 0 | 0 | 0 | 0 | 113.6 | L502 H570 L571 N576 | L502-C574 HydrophobicContact CD1-CB 3.72Å; H570-C574 PolarHBondContact O-N 3.32Å; H570-C574 PolarHBondContact O-SG 2.71Å; L571-C574 PolarHBondContact O-N 3.23Å; C574-N576 PolarHBondContact O-N 3.36Å; C574-N576 VanDerWaalsContact O-N 3.16Å |
| 575 | I | 80.3 | Confident | 82.9 | Confident | 72 Ų | 72 | 70.8 Ų | 70.8 | 37% | 0.369 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 31.6 | 179.1 | -54.4 | -179.3 | 0 | 0 | 0 | 110.7 | L502 I506 L571 S577 | L502-I575 HydrophobicContact CD1-CD1 4.26Å; L502-I575 HydrophobicContact CD1-CG1 3.92Å; L502-I575 HydrophobicContact CD2-CG1 4.33Å; I506-I575 HydrophobicContact CD1-CD1 4.38Å; L571-I575 HydrophobicContact CD1-CD1 3.63Å; L571-I575 HydrophobicContact CD1-CG1 4.11Å; L571-I575 HydrophobicContact CG-CD1 3.98Å; L571-I575 WeakPolarHBondContact O-CG1 3.5Å; L571-I575 PolarHBondContact O-N 3.3Å; I575-S577 VanDerWaalsContact C-N 3.3Å; I575-S577 PolarHBondContact O-N 3.39Å; I575-S577 VanDerWaalsContact O-N 3.15Å |
| 576 | N | 67.1 | Low | 82.9 | Confident | 131 Ų | 131 | 70 Ų | 70 | 70% | 0.701 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 39.4 | 166.5 | -149.4 | 5.9 | 0 | 0 | 0 | 114.4 | S573 C574 T578 | S573-N576 PolarHBondContact O-N 2.98Å; C574-N576 PolarHBondContact O-N 3.36Å; C574-N576 VanDerWaalsContact O-N 3.16Å; N576-T578 PolarHBondContact O-N 2.96Å; N576-T578 PolarHBondContact O-OG1 2.96Å |
| 577 | S | 62.8 | Low | 82.9 | Confident | 62 Ų | 62 | 68.3 Ų | 68.3 | 43% | 0.434 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | -6.7 | 171.5 | 81.7 | 0 | 0 | 0 | 0 | 119 | L572 I575 K583 | L572-S577 WeakPolarHBondContact O-CA 3.42Å; L572-S577 PolarHBondContact O-N 2.99Å; I575-S577 VanDerWaalsContact C-N 3.3Å; I575-S577 PolarHBondContact O-N 3.39Å; I575-S577 VanDerWaalsContact O-N 3.15Å; S577-K583 WeakPolarHBondContact O-CE 3.42Å; S577-K583 PolarHBondContact O-NZ 2.94Å |
| 578 | T | 58.2 | Low | 83.2 | Confident | 117 Ų | 117 | 71.5 Ų | 71.5 | 72% | 0.718 | 39% | 0.391 | S | S | * | . | trans | -103.6 | 22.8 | -163.5 | -40.7 | 0 | 0 | 0 | 0 | 113.3 | N576 P580 | N576-T578 PolarHBondContact O-N 2.96Å; N576-T578 PolarHBondContact O-OG1 2.96Å; T578-P580 WeakPolarHBondContact O-CD 3.26Å | ||
| 579 | S | 74.7 | Confident | 83.3 | Confident | 35 Ų | 35 | 72.2 Ų | 72.2 | 25% | 0.245 | 39% | 0.394 | C | S | . | . | trans | -96.6 | 96.3 | 163.5 | -177.5 | 0 | 0 | 0 | 0 | 109.2 | F581 L582 K583 | S579-F581 VanDerWaalsContact C-N 3.32Å; S579-L582 PolarHBondContact O-N 2.68Å; S579-L582 WeakPolarHBondContact OG-CB 3.37Å; S579-L582 PolarHBondContact OG-N 2.94Å; S579-K583 PolarHBondContact O-N 3.36Å | ||
| 580 | P | 79 | Confident | 83.4 | Confident | 83 Ų | 83 | 72 Ų | 72 | 54% | 0.539 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 173.3 | 24.7 | -32.1 | 0 | 0 | 0 | 110.1 | T578 L582 K583 D584 | T578-P580 WeakPolarHBondContact O-CD 3.26Å; P580-L582 VanDerWaalsContact C-N 3.26Å; P580-L582 PolarHBondContact O-N 2.94Å; P580-L582 VanDerWaalsContact O-N 3.11Å; P580-K583 CarbonylContact O-C 3.57Å; P580-K583 WeakPolarHBondContact O-CA 3.28Å; P580-K583 VanDerWaalsContact O-CB 3.3Å; P580-K583 WeakPolarHBondContact O-CB 3.34Å; P580-K583 PolarHBondContact O-N 3.12Å; P580-D584 VanDerWaalsContact C-OD2 3.22Å; P580-D584 PolarHBondContact O-N 2.85Å; P580-D584 VanDerWaalsContact O-OD2 3.05Å |
| 581 | F | 86.3 | Confident | 83.7 | Confident | 153 Ų | 153 | 74.7 Ų | 74.7 | 67% | 0.671 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -51.7 | -39.1 | 177.6 | -176.8 | -97.2 | 0 | 0 | 0 | 114 | S579 T585 | S579-F581 VanDerWaalsContact C-N 3.32Å; F581-T585 HydrophobicContact CD1-CG2 4.37Å; F581-T585 HydrophobicContact CE1-CG2 3.97Å; F581-T585 HydrophobicContact CE2-CG2 4.14Å; F581-T585 HydrophobicContact CZ-CG2 3.85Å; F581-T585 WeakPolarHBondContact O-CB 3.46Å; F581-T585 WeakPolarHBondContact O-CG2 3.5Å; F581-T585 PolarHBondContact O-N 3.44Å; F581-T585 PolarHBondContact O-OG1 3.25Å |
| 582 | L | 87.8 | Confident | 83.8 | Confident | 16 Ų | 16 | 78.7 Ų | 78.7 | 8% | 0.084 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -71 | -35.2 | 175.2 | -176.6 | 59.2 | 0 | 0 | 0 | 112.3 | F509 L571 L572 S579 P580 T585 L586 | F509-L582 HydrophobicContact CE1-CD1 3.83Å; F509-L582 HydrophobicContact CZ-CD1 3.66Å; L571-L582 HydrophobicContact CB-CD2 4.38Å; L571-L582 HydrophobicContact CD2-CD2 4.12Å; L571-L582 HydrophobicContact CG-CD2 4.1Å; L572-L582 HydrophobicContact CB-CD2 4.01Å; L572-L582 HydrophobicContact CD1-CB 4.3Å; L572-L582 HydrophobicContact CD1-CD2 4.19Å; L572-L582 HydrophobicContact CD1-CG 4.4Å; S579-L582 PolarHBondContact O-N 2.68Å; S579-L582 WeakPolarHBondContact OG-CB 3.37Å; S579-L582 PolarHBondContact OG-N 2.94Å; P580-L582 VanDerWaalsContact C-N 3.26Å; P580-L582 PolarHBondContact O-N 2.94Å; P580-L582 VanDerWaalsContact O-N 3.11Å; L582-T585 WeakPolarHBondContact CA-OG1 3.43Å; L582-T585 PolarHBondContact O-OG1 3.03Å; L582-L586 HydrophobicContact CD1-CD1 4.13Å; L582-L586 HydrophobicContact CD1-CG 4.27Å; L582-L586 HydrophobicContact CG-CD1 4.1Å; L582-L586 WeakPolarHBondContact O-CB 3.32Å; L582-L586 VanDerWaalsContact O-CD1 3.29Å; L582-L586 WeakPolarHBondContact O-CD1 3.49Å; L582-L586 WeakPolarHBondContact O-CG 3.44Å; L582-L586 PolarHBondContact O-N 3.41Å |
| 583 | K | 88.1 | Confident | 83.8 | Confident | 94 Ų | 94 | 77.8 Ų | 77.8 | 41% | 0.409 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.7 | -47.7 | 171.8 | -71 | 163.3 | 168.2 | 168.3 | 0 | 111 | L572 S577 S579 P580 T585 L586 L587 | L572-K583 HydrophobicContact CD1-CD 4.4Å; L572-K583 HydrophobicContact CD1-CG 3.9Å; L572-K583 HydrophobicContact CD2-CD 4.28Å; L572-K583 HydrophobicContact CD2-CG 3.49Å; L572-K583 VanDerWaalsContact CD2-CG 3.49Å; L572-K583 HydrophobicContact CG-CG 4.33Å; S577-K583 WeakPolarHBondContact O-CE 3.42Å; S577-K583 PolarHBondContact O-NZ 2.94Å; S579-K583 PolarHBondContact O-N 3.36Å; P580-K583 CarbonylContact O-C 3.57Å; P580-K583 WeakPolarHBondContact O-CA 3.28Å; P580-K583 VanDerWaalsContact O-CB 3.3Å; P580-K583 WeakPolarHBondContact O-CB 3.34Å; P580-K583 PolarHBondContact O-N 3.12Å; K583-T585 PolarHBondContact O-N 3.28Å; K583-L586 PolarHBondContact O-N 3.38Å; K583-L587 WeakPolarHBondContact O-CB 3.46Å; K583-L587 PolarHBondContact O-N 2.83Å |
| 584 | D | 90.3 | Very high | 83.9 | Confident | 96 Ų | 96 | 74.9 Ų | 74.9 | 51% | 0.513 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.2 | -39 | -174.9 | -56 | -33.7 | 0 | 0 | 0 | 111.6 | P580 L588 | P580-D584 VanDerWaalsContact C-OD2 3.22Å; P580-D584 PolarHBondContact O-N 2.85Å; P580-D584 VanDerWaalsContact O-OD2 3.05Å; D584-L588 WeakPolarHBondContact O-CB 3.2Å; D584-L588 PolarHBondContact O-N 3.24Å |
| 585 | T | 89.8 | Confident | 84.2 | Confident | 38 Ų | 38 | 74.8 Ų | 74.8 | 23% | 0.233 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -69.8 | -37.7 | 175.4 | 47.2 | 0 | 0 | 0 | 0 | 113.1 | F581 L582 K583 L588 I589 | F581-T585 HydrophobicContact CD1-CG2 4.37Å; F581-T585 HydrophobicContact CE1-CG2 3.97Å; F581-T585 HydrophobicContact CE2-CG2 4.14Å; F581-T585 HydrophobicContact CZ-CG2 3.85Å; F581-T585 WeakPolarHBondContact O-CB 3.46Å; F581-T585 WeakPolarHBondContact O-CG2 3.5Å; F581-T585 PolarHBondContact O-N 3.44Å; F581-T585 PolarHBondContact O-OG1 3.25Å; L582-T585 WeakPolarHBondContact CA-OG1 3.43Å; L582-T585 PolarHBondContact O-OG1 3.03Å; K583-T585 PolarHBondContact O-N 3.28Å; T585-L588 PolarHBondContact O-N 3.23Å; T585-I589 WeakPolarHBondContact O-CD1 3.47Å; T585-I589 VanDerWaalsContact O-CG1 3.31Å; T585-I589 WeakPolarHBondContact O-CG1 3.4Å; T585-I589 PolarHBondContact O-N 3.27Å |
| 586 | L | 91.1 | Very high | 84.6 | Confident | 12 Ų | 12 | 72.3 Ų | 72.3 | 6% | 0.063 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.6 | -42 | 173.9 | -66.5 | 168.1 | 0 | 0 | 0 | 111.7 | F509 V564 L565 L582 K583 L588 I589 E590 | F509-L586 HydrophobicContact CE2-CD2 3.98Å; F509-L586 HydrophobicContact CZ-CD2 4.27Å; V564-L586 HydrophobicContact CG1-CD2 4.47Å; L565-L586 HydrophobicContact CD2-CB 4.08Å; L565-L586 HydrophobicContact CD2-CD2 4.05Å; L565-L586 WeakPolarHBondContact CD2-O 3.34Å; L582-L586 HydrophobicContact CD1-CD1 4.13Å; L582-L586 HydrophobicContact CD1-CG 4.27Å; L582-L586 HydrophobicContact CG-CD1 4.1Å; L582-L586 WeakPolarHBondContact O-CB 3.32Å; L582-L586 VanDerWaalsContact O-CD1 3.29Å; L582-L586 WeakPolarHBondContact O-CD1 3.49Å; L582-L586 WeakPolarHBondContact O-CG 3.44Å; L582-L586 PolarHBondContact O-N 3.41Å; K583-L586 PolarHBondContact O-N 3.38Å; L586-L588 VanDerWaalsContact C-N 3.33Å; L586-L588 PolarHBondContact O-N 2.67Å; L586-I589 PolarHBondContact O-N 3.05Å; L586-E590 PolarHBondContact O-N 2.98Å |
| 587 | L | 92.2 | Very high | 85.7 | Confident | 101 Ų | 101 | 69.1 Ų | 69.1 | 53% | 0.529 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.5 | -39.3 | 174.7 | -160.3 | 169.2 | 0 | 0 | 0 | 110.9 | K583 E590 K591 | K583-L587 WeakPolarHBondContact O-CB 3.46Å; K583-L587 PolarHBondContact O-N 2.83Å; L587-E590 PolarHBondContact O-N 3.04Å; L587-K591 VanDerWaalsContact O-CB 3.26Å; L587-K591 WeakPolarHBondContact O-CB 3.36Å; L587-K591 PolarHBondContact O-N 3.16Å |
| 588 | L | 92.8 | Very high | 87 | Confident | 86 Ų | 86 | 71.4 Ų | 71.4 | 45% | 0.45 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 174 | -178.8 | 62.4 | 0 | 0 | 0 | 112.2 | D584 T585 L586 K591 Q592 | D584-L588 WeakPolarHBondContact O-CB 3.2Å; D584-L588 PolarHBondContact O-N 3.24Å; T585-L588 PolarHBondContact O-N 3.23Å; L586-L588 VanDerWaalsContact C-N 3.33Å; L586-L588 PolarHBondContact O-N 2.67Å; L588-K591 PolarHBondContact O-N 3.25Å; L588-Q592 HydrophobicContact CD1-CG 4.28Å; L588-Q592 WeakPolarHBondContact O-CB 3.39Å; L588-Q592 VanDerWaalsContact O-CG 3.3Å; L588-Q592 WeakPolarHBondContact O-CG 3.47Å; L588-Q592 PolarHBondContact O-N 2.95Å |
| 589 | I | 91 | Very high | 88.5 | Confident | 14 Ų | 14 | 69.1 Ų | 69.1 | 7% | 0.072 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 176.6 | -71.9 | 162 | 0 | 0 | 0 | 111.3 | L513 L516 T561 V564 L565 T585 L586 Q592 T593 | L513-I589 HydrophobicContact CD1-CD1 3.58Å; L516-I589 HydrophobicContact CD2-CD1 4.29Å; L516-I589 HydrophobicContact CD2-CG1 4.36Å; L516-I589 HydrophobicContact CD2-CG2 3.59Å; T561-I589 HydrophobicContact CG2-CG2 4.1Å; V564-I589 HydrophobicContact CG1-CD1 4.18Å; L565-I589 HydrophobicContact CD2-CG2 4.34Å; T585-I589 WeakPolarHBondContact O-CD1 3.47Å; T585-I589 VanDerWaalsContact O-CG1 3.31Å; T585-I589 WeakPolarHBondContact O-CG1 3.4Å; T585-I589 PolarHBondContact O-N 3.27Å; L586-I589 PolarHBondContact O-N 3.05Å; I589-Q592 PolarHBondContact O-N 3.14Å; I589-T593 WeakPolarHBondContact O-CB 3.45Å; I589-T593 PolarHBondContact O-N 3.01Å; I589-T593 PolarHBondContact O-OG1 2.88Å |
| 590 | E | 91.9 | Very high | 89.2 | Confident | 121 Ų | 121 | 67.5 Ų | 67.5 | 57% | 0.565 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -60.6 | -47.7 | 175.5 | -176.7 | 173.3 | -154 | 0 | 0 | 111 | L565 L586 L587 Q592 T593 G594 | L565-E590 HydrophobicContact CD1-CB 4.41Å; L565-E590 HydrophobicContact CD2-CB 4.49Å; L586-E590 PolarHBondContact O-N 2.98Å; L587-E590 PolarHBondContact O-N 3.04Å; E590-Q592 PolarHBondContact O-N 3Å; E590-T593 PolarHBondContact O-N 3.04Å; E590-G594 PolarHBondContact O-N 3.08Å |
| 591 | K | 92.1 | Very high | 89.7 | Confident | 150 Ų | 150 | 67 Ų | 67 | 65% | 0.652 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.7 | -42.1 | 177.3 | -175.5 | 179.4 | 180 | -178.6 | 0 | 112.8 | L587 L588 A595 | L587-K591 VanDerWaalsContact O-CB 3.26Å; L587-K591 WeakPolarHBondContact O-CB 3.36Å; L587-K591 PolarHBondContact O-N 3.16Å; L588-K591 PolarHBondContact O-N 3.25Å; K591-A595 WeakPolarHBondContact O-CB 3.33Å; K591-A595 PolarHBondContact O-N 3.31Å |
| 592 | Q | 89.1 | Confident | 89.9 | Confident | 92 Ų | 92 | 65.9 Ų | 65.9 | 43% | 0.43 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.6 | -42 | 176.2 | -77.8 | 177.8 | -8 | 0 | 0 | 111.6 | L588 I589 E590 A595 L596 | L588-Q592 HydrophobicContact CD1-CG 4.28Å; L588-Q592 WeakPolarHBondContact O-CB 3.39Å; L588-Q592 VanDerWaalsContact O-CG 3.3Å; L588-Q592 WeakPolarHBondContact O-CG 3.47Å; L588-Q592 PolarHBondContact O-N 2.95Å; I589-Q592 PolarHBondContact O-N 3.14Å; E590-Q592 PolarHBondContact O-N 3Å; Q592-A595 PolarHBondContact O-N 2.92Å; Q592-L596 PolarHBondContact O-N 2.86Å |
| 593 | T | 88.4 | Confident | 89.9 | Confident | 8 Ų | 8 | 65.8 Ų | 65.8 | 5% | 0.049 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.4 | -41.4 | 178.2 | -51.8 | 0 | 0 | 0 | 0 | 111.3 | T561 I589 E590 L596 Q597 | T561-T593 HydrophobicContact CG2-CG2 4.13Å; I589-T593 WeakPolarHBondContact O-CB 3.45Å; I589-T593 PolarHBondContact O-N 3.01Å; I589-T593 PolarHBondContact O-OG1 2.88Å; E590-T593 PolarHBondContact O-N 3.04Å; T593-L596 PolarHBondContact O-N 2.99Å; T593-Q597 PolarHBondContact O-N 3Å; T593-Q597 VanDerWaalsContact O-N 3.08Å |
| 594 | G | 87.4 | Confident | 90.1 | Very high | 33 Ų | 33 | 65.3 Ų | 65.3 | 34% | 0.34 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | E590 L596 Q597 N598 | E590-G594 PolarHBondContact O-N 3.08Å; G594-L596 VanDerWaalsContact C-N 3.35Å; G594-L596 PolarHBondContact O-N 2.68Å; G594-Q597 PolarHBondContact O-N 3.1Å; G594-N598 PolarHBondContact O-N 3.38Å; G594-N598 PolarHBondContact O-ND2 3.27Å |
| 595 | A | 88.4 | Confident | 90.1 | Very high | 57 Ų | 57 | 64 Ų | 64 | 47% | 0.471 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.5 | -39 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K591 Q592 N598 H599 | K591-A595 WeakPolarHBondContact O-CB 3.33Å; K591-A595 PolarHBondContact O-N 3.31Å; Q592-A595 PolarHBondContact O-N 2.92Å; A595-N598 PolarHBondContact O-N 3.33Å; A595-H599 PolarHBondContact O-N 3.3Å |
| 596 | L | 89.1 | Confident | 90.1 | Very high | 20 Ų | 20 | 64.2 Ų | 64.2 | 11% | 0.105 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.9 | -39.5 | 176.2 | -171.2 | 67.4 | 0 | 0 | 0 | 112.1 | L523 M527 F550 L554 Q592 T593 G594 H599 S600 | L523-L596 HydrophobicContact CB-CD2 4.05Å; L523-L596 HydrophobicContact CD1-CD2 3.87Å; L523-L596 HydrophobicContact CD2-CD2 4.36Å; L523-L596 HydrophobicContact CG-CD2 4.33Å; M527-L596 HydrophobicContact SD-CD1 3.88Å; F550-L596 HydrophobicContact CE2-CD1 4.15Å; F550-L596 HydrophobicContact CZ-CD1 3.8Å; F550-L596 HydrophobicContact CZ-CG 4.18Å; L554-L596 HydrophobicContact CD2-CD2 3.75Å; L554-L596 HydrophobicContact CD2-CG 4.05Å; L554-L596 HydrophobicContact CG-CD2 4.22Å; L554-L596 HydrophobicContact CG-CG 4.43Å; Q592-L596 PolarHBondContact O-N 2.86Å; T593-L596 PolarHBondContact O-N 2.99Å; G594-L596 VanDerWaalsContact C-N 3.35Å; G594-L596 PolarHBondContact O-N 2.68Å; L596-H599 PolarHBondContact O-N 3.17Å; L596-S600 PolarHBondContact O-N 3.43Å |
| 597 | Q | 90.3 | Very high | 90.1 | Very high | 63 Ų | 63 | 63.7 Ų | 63.7 | 29% | 0.294 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.1 | -48.4 | 173.7 | -175.5 | 59.7 | 56.5 | 0 | 0 | 111.4 | T593 G594 H599 S600 D601 | T593-Q597 PolarHBondContact O-N 3Å; T593-Q597 VanDerWaalsContact O-N 3.08Å; G594-Q597 PolarHBondContact O-N 3.1Å; Q597-H599 PolarHBondContact O-N 3.41Å; Q597-S600 WeakPolarHBondContact O-CA 3.47Å; Q597-S600 WeakPolarHBondContact O-CB 3.36Å; Q597-S600 PolarHBondContact O-N 3.46Å; Q597-D601 PolarHBondContact NE2-OD1 3.19Å; Q597-D601 VanDerWaalsContact O-CG 3.3Å; Q597-D601 PolarHBondContact O-N 3.05Å |
| 598 | N | 90.3 | Very high | 89.9 | Confident | 111 Ų | 111 | 62.2 Ų | 62.2 | 59% | 0.594 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -58.2 | -34.7 | 176.9 | -67 | -19.2 | 0 | 0 | 0 | 112.2 | G594 A595 D601 H602 | G594-N598 PolarHBondContact O-N 3.38Å; G594-N598 PolarHBondContact O-ND2 3.27Å; A595-N598 PolarHBondContact O-N 3.33Å; N598-D601 PolarHBondContact O-N 3.48Å; N598-H602 WeakPolarHBondContact O-CB 3.4Å; N598-H602 PolarHBondContact O-N 2.95Å |
| 599 | H | 87.7 | Confident | 89.8 | Confident | 68 Ų | 68 | 61.4 Ų | 61.4 | 32% | 0.315 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.5 | -41.8 | 173.9 | -174.7 | 81.5 | 0 | 0 | 0 | 112.2 | M527 A595 L596 Q597 D601 H602 V603 | M527-H599 VanDerWaalsContact CG-CD2 3.49Å; M527-H599 WeakPolarHBondContact CG-CD2 3.19Å; M527-H599 WeakPolarHBondContact CG-NE2 3.4Å; M527-H599 VanDerWaalsContact SD-CD2 3.56Å; A595-H599 PolarHBondContact O-N 3.3Å; L596-H599 PolarHBondContact O-N 3.17Å; Q597-H599 PolarHBondContact O-N 3.41Å; H599-D601 VanDerWaalsContact C-N 3.29Å; H599-D601 PolarHBondContact O-N 3.23Å; H599-H602 PolarHBondContact O-N 2.92Å; H599-V603 WeakPolarHBondContact NE2-CG2 3.48Å; H599-V603 WeakPolarHBondContact O-CG2 3.49Å; H599-V603 PolarHBondContact O-N 3.12Å |
| 600 | S | 90 | Very high | 89.6 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.007 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -53.8 | -47.2 | 171.6 | -167 | 0 | 0 | 0 | 0 | 111.3 | Y547 L596 Q597 H602 V603 F604 | Y547-S600 WeakPolarHBondContact CE2-O 3.36Å; Y547-S600 WeakPolarHBondContact CE2-OG 3.39Å; Y547-S600 PolarHBondContact OH-OG 3.09Å; L596-S600 PolarHBondContact O-N 3.43Å; Q597-S600 WeakPolarHBondContact O-CA 3.47Å; Q597-S600 WeakPolarHBondContact O-CB 3.36Å; Q597-S600 PolarHBondContact O-N 3.46Å; S600-H602 PolarHBondContact O-N 2.73Å; S600-V603 PolarHBondContact O-N 2.89Å; S600-F604 WeakPolarHBondContact O-CB 3.49Å; S600-F604 PolarHBondContact O-N 2.88Å |
| 601 | D | 90.8 | Very high | 89.4 | Confident | 72 Ų | 72 | 59.7 Ų | 59.7 | 39% | 0.385 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -69.6 | -34.5 | -177.1 | -56.6 | -22.9 | 0 | 0 | 0 | 111.8 | Q597 N598 H599 S605 | Q597-D601 PolarHBondContact NE2-OD1 3.19Å; Q597-D601 VanDerWaalsContact O-CG 3.3Å; Q597-D601 PolarHBondContact O-N 3.05Å; N598-D601 PolarHBondContact O-N 3.48Å; H599-D601 VanDerWaalsContact C-N 3.29Å; H599-D601 PolarHBondContact O-N 3.23Å; D601-S605 WeakPolarHBondContact O-CB 3.33Å; D601-S605 PolarHBondContact O-N 3.41Å; D601-S605 PolarHBondContact O-OG 2.85Å |
| 602 | H | 90.1 | Very high | 89.2 | Confident | 130 Ų | 130 | 57.2 Ų | 57.2 | 60% | 0.602 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -65.9 | -45.2 | 171.4 | 179.5 | -81.6 | 0 | 0 | 0 | 112.3 | N598 H599 S600 S605 S606 | N598-H602 WeakPolarHBondContact O-CB 3.4Å; N598-H602 PolarHBondContact O-N 2.95Å; H599-H602 PolarHBondContact O-N 2.92Å; S600-H602 PolarHBondContact O-N 2.73Å; H602-S605 PolarHBondContact O-N 2.94Å; H602-S606 WeakPolarHBondContact O-CB 3.48Å; H602-S606 PolarHBondContact O-N 3.19Å |
| 603 | V | 87.6 | Confident | 89.1 | Confident | 15 Ų | 15 | 56.9 Ų | 56.9 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 176.2 | 166.7 | 0 | 0 | 0 | 0 | 110.7 | I530 Y547 H599 S600 S605 S606 I607 | I530-V603 HydrophobicContact CG2-CG1 3.58Å; Y547-V603 HydrophobicContact CD2-CB 4.49Å; Y547-V603 HydrophobicContact CD2-CG1 3.81Å; Y547-V603 HydrophobicContact CE2-CG1 4.49Å; H599-V603 WeakPolarHBondContact NE2-CG2 3.48Å; H599-V603 WeakPolarHBondContact O-CG2 3.49Å; H599-V603 PolarHBondContact O-N 3.12Å; S600-V603 PolarHBondContact O-N 2.89Å; V603-S605 VanDerWaalsContact C-N 3.35Å; V603-S605 PolarHBondContact O-N 3.41Å; V603-S606 WeakPolarHBondContact O-CB 3.43Å; V603-S606 PolarHBondContact O-N 3.06Å; V603-I607 HydrophobicContact CG1-CD1 3.93Å; V603-I607 WeakPolarHBondContact O-CG1 3.48Å; V603-I607 PolarHBondContact O-N 3.03Å |
| 604 | F | 90.9 | Very high | 88.8 | Confident | 83 Ų | 83 | 60.4 Ų | 60.4 | 36% | 0.364 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.2 | -44.8 | 174.6 | -175.5 | -113.7 | 0 | 0 | 0 | 112.2 | Y547 S600 S606 I607 L608 | Y547-F604 HydrophobicContact CD1-CD2 4.27Å; Y547-F604 HydrophobicContact CE1-CB 4.37Å; Y547-F604 AromaticContact CE1-CD2 3.67Å; Y547-F604 HydrophobicContact CE1-CD2 3.67Å; Y547-F604 HydrophobicContact CE1-CE2 4.41Å; Y547-F604 HydrophobicContact CE1-CG 4.33Å; Y547-F604 HydrophobicContact CE2-CB 3.94Å; Y547-F604 AromaticContact CZ-CD2 3.93Å; S600-F604 WeakPolarHBondContact O-CB 3.49Å; S600-F604 PolarHBondContact O-N 2.88Å; F604-S606 VanDerWaalsContact C-N 3.31Å; F604-S606 PolarHBondContact O-N 3.11Å; F604-I607 PolarHBondContact O-N 3.48Å; F604-L608 HydrophobicContact CD1-CD1 4.04Å; F604-L608 HydrophobicContact CE1-CD1 3.57Å; F604-L608 HydrophobicContact CE1-CG 4.27Å; F604-L608 HydrophobicContact CZ-CD1 3.9Å; F604-L608 HydrophobicContact CZ-CD2 4.35Å; F604-L608 HydrophobicContact CZ-CG 4.22Å; F604-L608 WeakPolarHBondContact O-CG 3.37Å; F604-L608 PolarHBondContact O-N 3.42Å |
| 605 | S | 91.5 | Very high | 88.4 | Confident | 70 Ų | 70 | 62.4 Ų | 62.4 | 49% | 0.49 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.4 | -36.9 | 176.3 | -57.5 | 0 | 0 | 0 | 0 | 112.6 | D601 H602 V603 S609 | D601-S605 WeakPolarHBondContact O-CB 3.33Å; D601-S605 PolarHBondContact O-N 3.41Å; D601-S605 PolarHBondContact O-OG 2.85Å; H602-S605 PolarHBondContact O-N 2.94Å; V603-S605 VanDerWaalsContact C-N 3.35Å; V603-S605 PolarHBondContact O-N 3.41Å; S605-S609 WeakPolarHBondContact O-CB 3.27Å; S605-S609 PolarHBondContact O-N 2.87Å |
| 606 | S | 90.4 | Very high | 87.6 | Confident | 42 Ų | 42 | 65.7 Ų | 65.7 | 29% | 0.294 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -67.5 | -41.4 | 174.8 | -178.9 | 0 | 0 | 0 | 0 | 112.2 | H602 V603 F604 S609 A610 | H602-S606 WeakPolarHBondContact O-CB 3.48Å; H602-S606 PolarHBondContact O-N 3.19Å; V603-S606 WeakPolarHBondContact O-CB 3.43Å; V603-S606 PolarHBondContact O-N 3.06Å; F604-S606 VanDerWaalsContact C-N 3.31Å; F604-S606 PolarHBondContact O-N 3.11Å; S606-S609 PolarHBondContact O-N 2.98Å; S606-A610 WeakPolarHBondContact O-CB 3.5Å; S606-A610 PolarHBondContact O-N 2.88Å |
| 607 | I | 89.3 | Confident | 86.1 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.005 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 175.1 | -67 | 164.7 | 0 | 0 | 0 | 110.8 | P533 V540 L544 Y547 V603 F604 A610 M611 | P533-I607 HydrophobicContact CG-CG1 4.27Å; V540-I607 HydrophobicContact CG1-CG2 4.49Å; L544-I607 HydrophobicContact CB-CG2 4.32Å; L544-I607 HydrophobicContact CD1-CG2 4.4Å; Y547-I607 HydrophobicContact CG-CD1 4.2Å; V603-I607 HydrophobicContact CG1-CD1 3.93Å; V603-I607 WeakPolarHBondContact O-CG1 3.48Å; V603-I607 PolarHBondContact O-N 3.03Å; F604-I607 PolarHBondContact O-N 3.48Å; I607-A610 PolarHBondContact O-N 3.41Å; I607-M611 HydrophobicContact CG2-SD 4.36Å; I607-M611 WeakPolarHBondContact O-CG 3.46Å; I607-M611 PolarHBondContact O-N 3.28Å |
| 608 | L | 89.9 | Confident | 84.2 | Confident | 69 Ų | 69 | 72.9 Ų | 72.9 | 36% | 0.361 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.5 | -47.3 | 174.7 | -70.4 | 179.6 | 0 | 0 | 0 | 111.9 | F604 A610 M611 D612 | F604-L608 HydrophobicContact CD1-CD1 4.04Å; F604-L608 HydrophobicContact CE1-CD1 3.57Å; F604-L608 HydrophobicContact CE1-CG 4.27Å; F604-L608 HydrophobicContact CZ-CD1 3.9Å; F604-L608 HydrophobicContact CZ-CD2 4.35Å; F604-L608 HydrophobicContact CZ-CG 4.22Å; F604-L608 WeakPolarHBondContact O-CG 3.37Å; F604-L608 PolarHBondContact O-N 3.42Å; L608-A610 VanDerWaalsContact C-N 3.27Å; L608-A610 PolarHBondContact O-N 2.94Å; L608-M611 WeakPolarHBondContact O-CA 3.31Å; L608-M611 WeakPolarHBondContact O-CB 3.42Å; L608-M611 PolarHBondContact O-N 3.3Å; L608-D612 PolarHBondContact O-N 3.31Å |
| 609 | S | 89.5 | Confident | 82.2 | Confident | 70 Ų | 70 | 75.5 Ų | 75.5 | 49% | 0.49 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.4 | -34.8 | 178.4 | -175.7 | 0 | 0 | 0 | 0 | 112.9 | S605 S606 S613 | S605-S609 WeakPolarHBondContact O-CB 3.27Å; S605-S609 PolarHBondContact O-N 2.87Å; S606-S609 PolarHBondContact O-N 2.98Å; S609-S613 WeakPolarHBondContact O-CB 3.46Å; S609-S613 PolarHBondContact O-N 3.16Å; S609-S613 PolarHBondContact O-OG 3.03Å |
| 610 | A | 87.3 | Confident | 80.1 | Confident | 16 Ų | 16 | 80.6 Ų | 80.6 | 13% | 0.132 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -70.9 | -37 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P533 V540 S606 I607 L608 L614 | P533-A610 HydrophobicContact CB-CB 4.32Å; P533-A610 HydrophobicContact CG-CB 3.66Å; V540-A610 HydrophobicContact CG2-CB 3.95Å; S606-A610 WeakPolarHBondContact O-CB 3.5Å; S606-A610 PolarHBondContact O-N 2.88Å; I607-A610 PolarHBondContact O-N 3.41Å; L608-A610 VanDerWaalsContact C-N 3.27Å; L608-A610 PolarHBondContact O-N 2.94Å; A610-L614 PolarHBondContact O-N 3.42Å; A610-L614 VanDerWaalsContact O-N 3.11Å |
| 611 | M | 87.5 | Confident | 77.8 | Confident | 82 Ų | 82 | 85.8 Ų | 85.8 | 40% | 0.404 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 171.3 | -75.2 | 178 | 58.5 | 0 | 0 | 111.9 | V540 I607 L608 S613 L614 A615 | V540-M611 HydrophobicContact CG1-CG 3.4Å; V540-M611 VanDerWaalsContact CG1-CG 3.4Å; V540-M611 HydrophobicContact CG1-SD 4.26Å; I607-M611 HydrophobicContact CG2-SD 4.36Å; I607-M611 WeakPolarHBondContact O-CG 3.46Å; I607-M611 PolarHBondContact O-N 3.28Å; L608-M611 WeakPolarHBondContact O-CA 3.31Å; L608-M611 WeakPolarHBondContact O-CB 3.42Å; L608-M611 PolarHBondContact O-N 3.3Å; M611-S613 VanDerWaalsContact C-N 3.34Å; M611-S613 PolarHBondContact O-N 2.97Å; M611-L614 CarbonylContact O-C 3.59Å; M611-L614 WeakPolarHBondContact O-CB 3.31Å; M611-L614 PolarHBondContact O-N 3.49Å; M611-A615 WeakPolarHBondContact O-CB 3.34Å; M611-A615 PolarHBondContact O-N 2.85Å |
| 612 | D | 87.5 | Confident | 75.7 | Confident | 99 Ų | 99 | 88.2 Ų | 88.2 | 53% | 0.529 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.6 | -38.1 | 179.2 | -68.2 | -27.6 | 0 | 0 | 0 | 111.4 | L608 L614 A615 L616 | L608-D612 PolarHBondContact O-N 3.31Å; D612-L614 VanDerWaalsContact C-N 3.29Å; D612-L614 PolarHBondContact O-N 3.04Å; D612-A615 PolarHBondContact O-N 2.85Å; D612-A615 VanDerWaalsContact O-N 3.12Å; D612-L616 WeakPolarHBondContact O-CD1 3.4Å; D612-L616 PolarHBondContact O-N 3.18Å |
| 613 | S | 86.3 | Confident | 73.5 | Confident | 85 Ų | 85 | 88 Ų | 88 | 59% | 0.594 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.9 | -30.4 | 174.5 | -59.1 | 0 | 0 | 0 | 0 | 113.1 | S609 M611 | S609-S613 WeakPolarHBondContact O-CB 3.46Å; S609-S613 PolarHBondContact O-N 3.16Å; S609-S613 PolarHBondContact O-OG 3.03Å; M611-S613 VanDerWaalsContact C-N 3.34Å; M611-S613 PolarHBondContact O-N 2.97Å |
| 614 | L | 83.6 | Confident | 71.5 | Confident | 82 Ų | 82 | 96.6 Ų | 96.6 | 43% | 0.429 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -80.2 | -25.9 | 171 | -84.3 | 171.4 | 0 | 0 | 0 | 113.3 | G535 F537 V540 A610 M611 D612 | G535-L614 WeakPolarHBondContact O-CD1 3.5Å; G535-L614 WeakPolarHBondContact O-CD2 3.4Å; G535-L614 WeakPolarHBondContact O-CG 3.46Å; F537-L614 HydrophobicContact CB-CD1 4.27Å; V540-L614 HydrophobicContact CG2-CD1 3.96Å; A610-L614 PolarHBondContact O-N 3.42Å; A610-L614 VanDerWaalsContact O-N 3.11Å; M611-L614 CarbonylContact O-C 3.59Å; M611-L614 WeakPolarHBondContact O-CB 3.31Å; M611-L614 PolarHBondContact O-N 3.49Å; D612-L614 VanDerWaalsContact C-N 3.29Å; D612-L614 PolarHBondContact O-N 3.04Å |
| 615 | A | 78.5 | Confident | 69.5 | Low | 74 Ų | 74 | 100.7 Ų | 100.7 | 61% | 0.612 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -83.4 | -23.8 | -180 | 0 | 0 | 0 | 0 | 0 | 112.9 | M611 D612 P617 | M611-A615 WeakPolarHBondContact O-CB 3.34Å; M611-A615 PolarHBondContact O-N 2.85Å; D612-A615 PolarHBondContact O-N 2.85Å; D612-A615 VanDerWaalsContact O-N 3.12Å; A615-P617 VanDerWaalsContact O-CD 3.28Å; A615-P617 WeakPolarHBondContact O-CD 3.28Å |
| 616 | L | 71.7 | Confident | 67.3 | Low | 127 Ų | 127 | 108.9 Ų | 108.9 | 67% | 0.665 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -66.7 | 115.9 | 168.3 | -100.9 | 74.1 | 0 | 0 | 0 | 109.9 | D612 | D612-L616 WeakPolarHBondContact O-CD1 3.4Å; D612-L616 PolarHBondContact O-N 3.18Å |
| 617 | P | 56.8 | Low | 65 | Low | 95 Ų | 95 | 115.4 Ų | 115.4 | 62% | 0.617 | 63% | 0.626 | S | S | * | * | trans | -65.6 | 139.7 | 175.4 | 27.5 | -34.3 | 0 | 0 | 0 | 110.5 | A615 H619 | A615-P617 VanDerWaalsContact O-CD 3.28Å; A615-P617 WeakPolarHBondContact O-CD 3.28Å; P617-H619 PolarHBondContact O-N 3.06Å | ||
| 618 | T | 51.5 | Low | 63.1 | Low | 139 Ų | 139 | 124.7 Ų | 124.7 | 85% | 0.853 | 67% | 0.67 | S | S | * | * | trans | -70 | 59.8 | -174.7 | -34.8 | 0 | 0 | 0 | 0 | 113.7 | H620 | T618-H620 PolarHBondContact O-N 3.39Š| ||
| 619 | H | 47.5 | Very low | 61.3 | Low | 166 Ų | 166 | 130 Ų | 130 | 77% | 0.769 | 69% | 0.69 | S | S | * | * | trans | -78.9 | 51.5 | 178.1 | -88.4 | -68.5 | 0 | 0 | 0 | 113.3 | P617 | P617-H619 PolarHBondContact O-N 3.06Š| ||
| 620 | H | 44.1 | Very low | 59.3 | Low | 175 Ų | 175 | 133.9 Ų | 133.9 | 81% | 0.81 | 71% | 0.705 | S | S | * | * | trans | -117.4 | 93 | 162.4 | -83.6 | -66.3 | 0 | 0 | 0 | 110 | T618 P622 | T618-H620 PolarHBondContact O-N 3.39Å; H620-P622 WeakPolarHBondContact O-CD 3.34Å | ||
| 621 | S | 42.2 | Very low | 57.5 | Low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | trans | -71.3 | 116.1 | 174.6 | 33.5 | 0 | 0 | 0 | 0 | 111.4 | T623 | S621-T623 PolarHBondContact O-N 3.32Š| ||
| 622 | P | 46.3 | Very low | 56 | Low | 123 Ų | 123 | 139.8 Ų | 139.8 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | trans | -93.4 | 65.7 | -172.9 | 37.2 | -34.6 | 0 | 0 | 0 | 112.3 | H620 | H620-P622 WeakPolarHBondContact O-CD 3.34Š| ||
| 623 | T | 42.8 | Very low | 54.4 | Low | 126 Ų | 126 | 138.5 Ų | 138.5 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -151.5 | 42.2 | -179.7 | -3.7 | 0 | 0 | 0 | 0 | 117.5 | S621 | S621-T623 PolarHBondContact O-N 3.32Š| ||
| 624 | Q | 45.8 | Very low | 52.4 | Low | 195 Ų | 195 | 145.1 Ų | 145.1 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | trans | -143.7 | 70.9 | 159.9 | -77.3 | -156.6 | 4.7 | 0 | 0 | 113.2 | ||||
| 625 | L | 49 | Very low | 50.9 | Low | 169 Ų | 169 | 148.3 Ų | 148.3 | 89% | 0.885 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -157.4 | 45.6 | 163.7 | -136.7 | 160.7 | 0 | 0 | 0 | 115.1 | ||
| 626 | R | 45.4 | Very low | 49.4 | Very low | 243 Ų | 243 | 152.2 Ų | 152.2 | 92% | 0.917 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -167.7 | 99.4 | 158.2 | -122.2 | 178.9 | 177.8 | -132.6 | 1.3 | 112.8 | ||
| 627 | E | 43.6 | Very low | 48.2 | Very low | 179 Ų | 179 | 153.6 Ų | 153.6 | 84% | 0.836 | 85% | 0.846 | S | S | * | * | 174.2 | 68.1 | 122.8 | -92.5 | -169.6 | 138.2 | 0 | 0 | 110.2 | |||||
| 628 | E | 49.3 | Very low | 47.7 | Very low | 196 Ų | 196 | 157 Ų | 157 | 92% | 0.916 | 86% | 0.86 | S | S | * | * | trans | -106.4 | 73.6 | 160.7 | -165.6 | -166.6 | 147 | 0 | 0 | 109.4 | ||||
| 629 | K | 52.2 | Low | 47.4 | Very low | 180 Ų | 180 | 158.1 Ų | 158.1 | 78% | 0.783 | 86% | 0.86 | S | S | * | * | trans | -173.9 | 156.4 | 159.1 | -108.8 | 157.6 | -174.4 | 171.2 | 0 | 109.1 | ||||
| 630 | N | 46.8 | Very low | 47.4 | Very low | 151 Ų | 151 | 157.6 Ų | 157.6 | 81% | 0.807 | 87% | 0.866 | S | S | * | * | trans | 71.4 | 124.4 | -168.6 | -36.9 | -34.2 | 0 | 0 | 0 | 112 | ||||
| 631 | S | 49.1 | Very low | 47.7 | Very low | 123 Ų | 123 | 156.4 Ų | 156.4 | 86% | 0.86 | 87% | 0.87 | S | S | * | * | cis | -152.7 | 147.6 | -14.2 | -166.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 632 | A | 55 | Low | 48.1 | Very low | 99 Ų | 99 | 160 Ų | 160 | 82% | 0.818 | 88% | 0.879 | S | S | * | * | trans | -134.9 | 121.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 633 | G | 54.3 | Low | 48.3 | Very low | 72 Ų | 72 | 163.1 Ų | 163.1 | 74% | 0.742 | 89% | 0.885 | S | S | * | * | trans | 80.3 | 93.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 634 | T | 45.6 | Very low | 48.8 | Very low | 224 Ų | 224 | 166.5 Ų | 166.5 | 100% | 1.374 | 90% | 0.895 | S | S | * | * | -157 | 0 | 110.9 | 1.6 | 0 | 0 | 0 | 0 | 110.5 |
Retrieved 634 of 634 residues in 473 ms
(Link to these results)