| 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 | 46.5 | Very low | 49.6 | Very low | 231 Ų | 231 | 160.3 Ų | 160.3 | 100% | 1.138 | 80% | 0.801 | S | S | * | * | 0 | 113.3 | 0 | -69.5 | 154.3 | 125.9 | 0 | 0 | 104.7 | |||||
| 2 | L | 52.8 | Low | 48.4 | Very low | 159 Ų | 159 | 153.1 Ų | 153.1 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | 52.2 | 120.7 | 60.2 | -58.3 | 167 | 0 | 0 | 0 | 108.5 | |||||
| 3 | D | 47.8 | Very low | 49 | Very low | 125 Ų | 125 | 150.4 Ų | 150.4 | 67% | 0.668 | 80% | 0.795 | S | S | * | * | cis | -164.1 | 168.5 | 20.1 | -108.2 | 17 | 0 | 0 | 0 | 108.5 | ||||
| 4 | K | 47.5 | Very low | 48.6 | Very low | 181 Ų | 181 | 149.1 Ų | 149.1 | 79% | 0.787 | 80% | 0.796 | S | S | * | * | cis | 179.2 | 160.5 | -9.9 | 177.2 | -178.7 | 167 | -172.9 | 0 | 110.6 | ||||
| 5 | E | 58.2 | Low | 48.2 | Very low | 162 Ų | 162 | 147.3 Ų | 147.3 | 76% | 0.757 | 80% | 0.8 | S | S | * | * | trans | -78.7 | -174.8 | 169.9 | -85.3 | -83 | 141.2 | 0 | 0 | 112.1 | ||||
| 6 | P | 72.4 | Confident | 47.7 | Very low | 104 Ų | 104 | 153.8 Ų | 153.8 | 68% | 0.675 | 81% | 0.809 | S | S | * | * | cis | -137.5 | -179.5 | -0.1 | 38.3 | -17.9 | 0 | 0 | 0 | 116.8 | ||||
| 7 | E | 39 | Very low | 47.1 | Very low | 174 Ų | 174 | 151.5 Ų | 151.5 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | 170.8 | 117.6 | 123 | -89.6 | -153.2 | 135.9 | 0 | 0 | 110.4 | |||||
| 8 | S | 47.6 | Very low | 47 | Very low | 96 Ų | 96 | 149 Ų | 149 | 67% | 0.671 | 81% | 0.806 | S | S | * | * | 78.3 | 84.5 | 69.3 | -164.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 9 | Q | 50.6 | Low | 46.7 | Very low | 167 Ų | 167 | 146.6 Ų | 146.6 | 78% | 0.78 | 80% | 0.801 | S | S | * | * | 74.1 | 128.4 | 88.2 | -75.4 | -162.9 | 29.6 | 0 | 0 | 117.8 | |||||
| 10 | H | 38.4 | Very low | 46.1 | Very low | 177 Ų | 177 | 148.2 Ų | 148.2 | 82% | 0.819 | 80% | 0.8 | S | S | * | * | -173 | 147.5 | 120.5 | -112.2 | -78.8 | 0 | 0 | 0 | 114.2 | |||||
| 11 | H | 44.3 | Very low | 45.7 | Very low | 187 Ų | 187 | 145.3 Ų | 145.3 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | trans | -130.8 | 154.5 | 178.2 | -74.7 | -83.2 | 0 | 0 | 0 | 112.6 | ||||
| 12 | G | 35.4 | Very low | 45.5 | Very low | 74 Ų | 74 | 141.2 Ų | 141.2 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | 112.9 | 157.5 | 126.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 13 | P | 56.6 | Low | 44.9 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | -137.2 | 168 | -156.2 | 40.8 | -20.5 | 0 | 0 | 0 | 119.5 | ||||
| 14 | T | 43.5 | Very low | 44.3 | Very low | 132 Ų | 132 | 143.3 Ų | 143.3 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | 54.9 | 126.7 | 145.3 | 53.3 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 15 | S | 41.7 | Very low | 44.2 | Very low | 122 Ų | 122 | 142.6 Ų | 142.6 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | 76.7 | 133.6 | 137.6 | -146.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 16 | R | 40.3 | Very low | 43.6 | Very low | 251 Ų | 251 | 143.1 Ų | 143.1 | 95% | 0.947 | 79% | 0.789 | S | S | * | * | trans | -146.3 | 149.7 | 172.3 | -72.3 | 179.7 | 79 | 177.5 | 4.9 | 112.4 | ||||
| 17 | S | 38.3 | Very low | 41.7 | Very low | 116 Ų | 116 | 148.6 Ų | 148.6 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -148.8 | 138.4 | 172.5 | 175.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 18 | S | 45.8 | Very low | 41.2 | Very low | 106 Ų | 106 | 145.3 Ų | 145.3 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | 44.6 | 124.7 | 147.7 | -176.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 19 | S | 40.1 | Very low | 40.6 | Very low | 103 Ų | 103 | 147.3 Ų | 147.3 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | -169.4 | 140.9 | 130 | -155.2 | 0 | 0 | 0 | 0 | 115 | |||||
| 20 | F | 35.2 | Very low | 39.7 | Very low | 178 Ų | 178 | 150 Ų | 150 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | trans | 5.3 | 165.7 | 146.8 | -67.5 | -98.9 | 0 | 0 | 0 | 122 | ||||
| 21 | S | 37.3 | Very low | 39.4 | Very low | 88 Ų | 88 | 147.5 Ų | 147.5 | 62% | 0.615 | 80% | 0.802 | S | S | * | * | cis | -153.7 | 143.2 | 6.1 | -118.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 22 | I | 43.5 | Very low | 38.9 | Very low | 146 Ų | 146 | 145.7 Ų | 145.7 | 75% | 0.749 | 80% | 0.804 | S | S | * | * | 43.9 | 94.4 | 89.9 | -47.3 | 177.1 | 0 | 0 | 0 | 114.8 | |||||
| 23 | E | 39.3 | Very low | 38.6 | Very low | 193 Ų | 193 | 148.9 Ų | 148.9 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -138.3 | 164.6 | 146.3 | -140.9 | -177.7 | -162.7 | 0 | 0 | 110.1 | ||||
| 24 | N | 35.3 | Very low | 37.5 | Very low | 134 Ų | 134 | 153.8 Ų | 153.8 | 72% | 0.717 | 81% | 0.806 | S | S | * | * | trans | 75.9 | 35.7 | 177.9 | -143.1 | 12.5 | 0 | 0 | 0 | 118.1 | ||||
| 25 | L | 45.2 | Very low | 36.9 | Very low | 166 Ų | 166 | 159.4 Ų | 159.4 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | trans | -86.6 | 90.5 | 144.7 | -126.4 | 89.5 | 0 | 0 | 0 | 108 | ||||
| 26 | L | 44.9 | Very low | 36.6 | Very low | 173 Ų | 173 | 157.7 Ų | 157.7 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | trans | 163 | 63.2 | 156.4 | -89.5 | 160.3 | 0 | 0 | 0 | 111.9 | ||||
| 27 | R | 33.2 | Very low | 36.7 | Very low | 220 Ų | 220 | 151.6 Ų | 151.6 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -140.3 | 122.3 | 156.8 | -165.1 | 169.5 | -73.7 | -157.6 | 0.5 | 111.7 | ||
| 28 | S | 28.7 | Very low | 36.7 | Very low | 104 Ų | 104 | 152.4 Ų | 152.4 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | 66.6 | 77.8 | 167.7 | -59.3 | 0 | 0 | 0 | 0 | 118.3 | R30 | S28-R30 PolarHBondContact O-N 3.34Š| ||
| 29 | T | 35.5 | Very low | 36.4 | Very low | 138 Ų | 138 | 155.3 Ų | 155.3 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | -61.4 | 110.7 | 129.9 | 42.1 | 0 | 0 | 0 | 0 | 109 | |||||
| 30 | R | 30.3 | Very low | 36.3 | Very low | 224 Ų | 224 | 157.4 Ų | 157.4 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | -178.1 | 114.5 | 155.1 | -103.3 | 149.4 | -173.5 | 178 | 1.7 | 112.9 | S28 | S28-R30 PolarHBondContact O-N 3.34Š| ||
| 31 | T | 32.1 | Very low | 36.4 | Very low | 125 Ų | 125 | 157.3 Ų | 157.3 | 77% | 0.767 | 80% | 0.799 | S | S | * | * | trans | 36.2 | 119.3 | 133.2 | 60.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 32 | T | 35.2 | Very low | 36.3 | Very low | 148 Ų | 148 | 161.2 Ų | 161.2 | 91% | 0.908 | 81% | 0.805 | S | S | * | * | -153.8 | 140.4 | 123.8 | 31.1 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 33 | D | 29.1 | Very low | 35.9 | Very low | 141 Ų | 141 | 162.4 Ų | 162.4 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | trans | -81.3 | 165.9 | 169.6 | 173.5 | 33.7 | 0 | 0 | 0 | 110.8 | ||||
| 34 | R | 33.3 | Very low | 35.6 | Very low | 221 Ų | 221 | 159.2 Ų | 159.2 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | 68.7 | 106.3 | 150.1 | -152.2 | 170.3 | -176.3 | 172.1 | 0.2 | 120.2 | ||||
| 35 | R | 29.9 | Very low | 35.5 | Very low | 250 Ų | 250 | 161.9 Ų | 161.9 | 94% | 0.943 | 79% | 0.794 | S | S | * | * | -152.9 | 135.3 | 122.1 | -159.9 | 147.8 | -175.1 | 165.3 | -0.9 | 112.9 | |||||
| 36 | S | 35.3 | Very low | 35.3 | Very low | 87 Ų | 87 | 162 Ų | 162 | 61% | 0.608 | 79% | 0.79 | S | S | * | * | trans | -96.5 | 163.5 | 175.7 | 56.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 37 | T | 42.4 | Very low | 35.6 | Very low | 122 Ų | 122 | 158.3 Ų | 158.3 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | 54.8 | 101.3 | 152.9 | 52.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 38 | T | 38.3 | Very low | 35.8 | Very low | 134 Ų | 134 | 151.3 Ų | 151.3 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | 176.1 | 76.5 | 128.2 | 42.3 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 39 | E | 40.8 | Very low | 36.7 | Very low | 166 Ų | 166 | 150.6 Ų | 150.6 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | -130.6 | -13.8 | 171 | -68.7 | -71.2 | 140.9 | 0 | 0 | 112.9 | E41 F42 | E39-E41 VanDerWaalsContact C-N 3.29Å; E39-E41 PolarHBondContact O-N 2.67Å; E39-F42 PolarHBondContact O-N 3.45Å | ||
| 40 | D | 37.8 | Very low | 37.3 | Very low | 147 Ų | 147 | 147.1 Ų | 147.1 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -13.5 | -176.5 | -65.5 | -52.8 | 0 | 0 | 0 | 114.9 | ||
| 41 | E | 37.5 | Very low | 37.9 | Very low | 176 Ų | 176 | 143.7 Ų | 143.7 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -18.8 | 178.5 | -91.5 | -143.5 | 123.1 | 0 | 0 | 114.3 | E39 F43 | E39-E41 VanDerWaalsContact C-N 3.29Å; E39-E41 PolarHBondContact O-N 2.67Å; E41-F43 VanDerWaalsContact C-N 3.3Å; E41-F43 PolarHBondContact O-N 2.85Å |
| 42 | F | 34 | Very low | 38.5 | Very low | 170 Ų | 170 | 143.1 Ų | 143.1 | 75% | 0.746 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -75.2 | -22.7 | -179.9 | -150.7 | -93.1 | 0 | 0 | 0 | 112.4 | E39 | E39-F42 PolarHBondContact O-N 3.45Š|
| 43 | F | 36.6 | Very low | 39 | Very low | 172 Ų | 172 | 140.8 Ų | 140.8 | 75% | 0.754 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -74.6 | -26.3 | -174.3 | -159.8 | -99.9 | 0 | 0 | 0 | 114.1 | E41 | E41-F43 VanDerWaalsContact C-N 3.3Å; E41-F43 PolarHBondContact O-N 2.85Å |
| 44 | F | 31.5 | Very low | 40.1 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 55% | 0.548 | 69% | 0.692 | S | S | . | * | S | Bend | trans | -88.1 | -16.7 | -173.7 | -90.1 | -81 | 0 | 0 | 0 | 115.1 | ||
| 45 | K | 33.5 | Very low | 41 | Very low | 191 Ų | 191 | 129.8 Ų | 129.8 | 83% | 0.83 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -12.3 | -166.6 | -130.4 | 166.6 | -173.4 | 166.1 | 0 | 115.4 | ||
| 46 | E | 42.1 | Very low | 41.9 | Very low | 169 Ų | 169 | 122.9 Ų | 122.9 | 79% | 0.79 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | -9.8 | -170.5 | -158.4 | 168.2 | -169.1 | 0 | 0 | 114.6 | ||
| 47 | T | 50.4 | Low | 42.5 | Very low | 95 Ų | 95 | 123.3 Ų | 123.3 | 58% | 0.583 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | -21.9 | -180 | 57.2 | 0 | 0 | 0 | 0 | 114.9 | L49 | T47-L49 PolarHBondContact O-N 2.93Å; T47-L49 VanDerWaalsContact O-N 3.14Å |
| 48 | G | 37.8 | Very low | 42.7 | Very low | 73 Ų | 73 | 124.1 Ų | 124.1 | 75% | 0.753 | 64% | 0.644 | S | S | * | * | trans | 65.8 | 10.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 49 | L | 48.3 | Very low | 42.8 | Very low | 89 Ų | 89 | 122.3 Ų | 122.3 | 47% | 0.466 | 64% | 0.637 | S | S | . | * | trans | -107.3 | 135.9 | 180 | -53.9 | -175 | 0 | 0 | 0 | 110.9 | T47 Q53 | T47-L49 PolarHBondContact O-N 2.93Å; T47-L49 VanDerWaalsContact O-N 3.14Å; L49-Q53 HydrophobicContact CB-CB 4.4Å | ||
| 50 | S | 47.9 | Very low | 42.6 | Very low | 64 Ų | 64 | 123.5 Ų | 123.5 | 45% | 0.448 | 63% | 0.634 | S | S | . | * | trans | -70.3 | 152.6 | 179.8 | -178 | 0 | 0 | 0 | 0 | 111.8 | N52 Q53 | S50-N52 PolarHBondContact O-N 3.24Å; S50-N52 VanDerWaalsContact O-N 3.1Å; S50-N52 PolarHBondContact OG-ND2 3.48Å; S50-Q53 WeakPolarHBondContact O-CA 3.34Å; S50-Q53 WeakPolarHBondContact O-CB 3.41Å; S50-Q53 PolarHBondContact O-N 3Å | ||
| 51 | F | 42.1 | Very low | 42.7 | Very low | 152 Ų | 152 | 123.4 Ų | 123.4 | 67% | 0.667 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -45.9 | -39.4 | 170 | 179.7 | -100.2 | 0 | 0 | 0 | 113 | Q53 V54 A55 | F51-Q53 PolarHBondContact O-N 3.17Å; F51-V54 PolarHBondContact O-N 3.34Å; F51-A55 PolarHBondContact O-N 3.27Å |
| 52 | N | 43.9 | Very low | 42.6 | Very low | 113 Ų | 113 | 117.4 Ų | 117.4 | 60% | 0.604 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -63.9 | -26.2 | 177.4 | -62.7 | -70.7 | 0 | 0 | 0 | 113.7 | S50 V56 | S50-N52 PolarHBondContact O-N 3.24Å; S50-N52 VanDerWaalsContact O-N 3.1Å; S50-N52 PolarHBondContact OG-ND2 3.48Å; N52-V56 WeakPolarHBondContact O-CG2 3.24Å; N52-V56 PolarHBondContact O-N 2.84Å |
| 53 | Q | 47.2 | Very low | 42.8 | Very low | 100 Ų | 100 | 115.6 Ų | 115.6 | 47% | 0.467 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -79.7 | -26.4 | -178.4 | -155.6 | 161.1 | 5.6 | 0 | 0 | 112 | L49 S50 F51 L57 | L49-Q53 HydrophobicContact CB-CB 4.4Å; S50-Q53 WeakPolarHBondContact O-CA 3.34Å; S50-Q53 WeakPolarHBondContact O-CB 3.41Å; S50-Q53 PolarHBondContact O-N 3Å; F51-Q53 PolarHBondContact O-N 3.17Å; Q53-L57 PolarHBondContact O-N 2.96Å |
| 54 | V | 52.7 | Low | 42.9 | Very low | 90 Ų | 90 | 111.8 Ų | 111.8 | 55% | 0.545 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.2 | -43 | 169.8 | -175.9 | 0 | 0 | 0 | 0 | 110.4 | F51 V56 L57 E58 | F51-V54 PolarHBondContact O-N 3.34Å; V54-V56 VanDerWaalsContact C-N 3.34Å; V54-V56 PolarHBondContact O-N 3.4Å; V54-L57 WeakPolarHBondContact O-CB 3.48Å; V54-L57 PolarHBondContact O-N 2.96Å; V54-L57 VanDerWaalsContact O-N 3.14Å; V54-E58 PolarHBondContact O-N 3.48Å |
| 55 | A | 50.4 | Low | 43.3 | Very low | 40 Ų | 40 | 114.1 Ų | 114.1 | 33% | 0.331 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65 | -32 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | F51 E58 S59 | F51-A55 PolarHBondContact O-N 3.27Å; A55-E58 WeakPolarHBondContact O-CB 3.47Å; A55-E58 PolarHBondContact O-N 3.45Å; A55-S59 PolarHBondContact O-N 3.31Å; A55-S59 PolarHBondContact O-OG 3.11Å |
| 56 | V | 49.4 | Very low | 43.5 | Very low | 106 Ų | 106 | 114.3 Ų | 114.3 | 64% | 0.642 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.2 | -36 | 173 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | N52 V54 | N52-V56 WeakPolarHBondContact O-CG2 3.24Å; N52-V56 PolarHBondContact O-N 2.84Å; V54-V56 VanDerWaalsContact C-N 3.34Å; V54-V56 PolarHBondContact O-N 3.4Å |
| 57 | L | 49 | Very low | 43.1 | Very low | 95 Ų | 95 | 114.4 Ų | 114.4 | 50% | 0.497 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.8 | -49.4 | 169.2 | -96.7 | 158.5 | 0 | 0 | 0 | 110.4 | Q53 V54 S59 R60 W61 | Q53-L57 PolarHBondContact O-N 2.96Å; V54-L57 WeakPolarHBondContact O-CB 3.48Å; V54-L57 PolarHBondContact O-N 2.96Å; V54-L57 VanDerWaalsContact O-N 3.14Å; L57-S59 VanDerWaalsContact C-N 3.3Å; L57-S59 PolarHBondContact O-N 2.96Å; L57-R60 VanDerWaalsContact O-CB 3.31Å; L57-R60 WeakPolarHBondContact O-CB 3.44Å; L57-R60 PolarHBondContact O-N 3.1Å; L57-W61 PolarHBondContact O-NE1 3.44Å |
| 58 | E | 45.3 | Very low | 42.5 | Very low | 140 Ų | 140 | 116 Ų | 116 | 65% | 0.654 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -52 | -44.8 | 177.9 | -162.4 | 168.3 | -172.4 | 0 | 0 | 112.6 | V54 A55 R60 W61 | V54-E58 PolarHBondContact O-N 3.48Å; A55-E58 WeakPolarHBondContact O-CB 3.47Å; A55-E58 PolarHBondContact O-N 3.45Å; E58-R60 PolarHBondContact O-N 3.45Å; E58-W61 PolarHBondContact O-N 3.1Å |
| 59 | S | 40.8 | Very low | 42.7 | Very low | 96 Ų | 96 | 117 Ų | 117 | 67% | 0.671 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61.6 | -23.9 | 176.2 | -58.3 | 0 | 0 | 0 | 0 | 114.2 | A55 L57 | A55-S59 PolarHBondContact O-N 3.31Å; A55-S59 PolarHBondContact O-OG 3.11Å; L57-S59 VanDerWaalsContact C-N 3.3Å; L57-S59 PolarHBondContact O-N 2.96Å |
| 60 | R | 37 | Very low | 42 | Very low | 190 Ų | 190 | 121.5 Ų | 121.5 | 72% | 0.717 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -80.9 | -19.5 | -179.6 | -160.2 | 175.5 | 179.6 | -158.7 | -0.1 | 112.9 | L57 E58 Q63 | L57-R60 VanDerWaalsContact O-CB 3.31Å; L57-R60 WeakPolarHBondContact O-CB 3.44Å; L57-R60 PolarHBondContact O-N 3.1Å; E58-R60 PolarHBondContact O-N 3.45Å; R60-Q63 PolarHBondContact O-N 3.34Å |
| 61 | W | 39.3 | Very low | 41.6 | Very low | 145 Ų | 145 | 129.5 Ų | 129.5 | 55% | 0.549 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -71.5 | -35.7 | 179.1 | -61.9 | 86.4 | 0 | 0 | 0 | 112.4 | L57 E58 Q63 V64 M193 | L57-W61 PolarHBondContact O-NE1 3.44Å; E58-W61 PolarHBondContact O-N 3.1Å; W61-Q63 PolarHBondContact O-N 3.27Å; W61-Q63 VanDerWaalsContact O-N 3.16Å; W61-V64 PolarHBondContact O-N 3.11Å; W61-M193 HydrophobicContact CH2-CE 4.01Å; W61-M193 HydrophobicContact CH2-SD 3.37Å; W61-M193 WeakPolarHBondContact CH2-SD 3.43Å; W61-M193 HydrophobicContact CZ3-CE 4.07Å; W61-M193 HydrophobicContact CZ3-SD 3.32Å; W61-M193 WeakPolarHBondContact CZ3-SD 3.45Å |
| 62 | G | 36.6 | Very low | 41.2 | Very low | 51 Ų | 51 | 125 Ų | 125 | 53% | 0.526 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -66 | -13.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 63 | Q | 37.8 | Very low | 41.2 | Very low | 132 Ų | 132 | 128.1 Ų | 128.1 | 62% | 0.617 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -82.8 | -28.4 | 176 | -168 | 75.3 | 18.9 | 0 | 0 | 112.1 | R60 W61 | R60-Q63 PolarHBondContact O-N 3.34Å; W61-Q63 PolarHBondContact O-N 3.27Å; W61-Q63 VanDerWaalsContact O-N 3.16Å |
| 64 | V | 38 | Very low | 40.5 | Very low | 92 Ų | 92 | 130 Ų | 130 | 56% | 0.558 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -79 | -27.2 | -170.8 | -178.3 | 0 | 0 | 0 | 0 | 112.2 | W61 R66 Q67 | W61-V64 PolarHBondContact O-N 3.11Å; V64-R66 PolarHBondContact O-N 3.22Å; V64-R66 VanDerWaalsContact O-N 3.07Å; V64-Q67 PolarHBondContact O-N 3.09Å; V64-Q67 VanDerWaalsContact O-N 3.13Å |
| 65 | E | 40 | Very low | 39.9 | Very low | 173 Ų | 173 | 130.7 Ų | 130.7 | 81% | 0.808 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -63.3 | -12.8 | 177.6 | -73.9 | -167.7 | 134.9 | 0 | 0 | 114.7 | ||
| 66 | R | 36.9 | Very low | 39.2 | Very low | 196 Ų | 196 | 136.2 Ų | 136.2 | 74% | 0.74 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -85.5 | -4.8 | 174.3 | -68.8 | -159.7 | -167.7 | 104.6 | 2.4 | 115.3 | V64 | V64-R66 PolarHBondContact O-N 3.22Å; V64-R66 VanDerWaalsContact O-N 3.07Å |
| 67 | Q | 34.9 | Very low | 38.5 | Very low | 171 Ų | 171 | 143 Ų | 143 | 80% | 0.799 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -117.8 | 19.8 | -175.2 | -79.1 | -71.3 | -17.8 | 0 | 0 | 114 | V64 | V64-Q67 PolarHBondContact O-N 3.09Å; V64-Q67 VanDerWaalsContact O-N 3.13Å |
| 68 | V | 37.6 | Very low | 38 | Very low | 129 Ų | 129 | 145.8 Ų | 145.8 | 78% | 0.782 | 73% | 0.734 | S | S | * | * | trans | -124 | 60.7 | 171.5 | -164 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 69 | S | 42.6 | Very low | 37.6 | Very low | 92 Ų | 92 | 143.1 Ų | 143.1 | 64% | 0.643 | 74% | 0.736 | S | S | * | * | trans | -138.8 | 148.7 | 162.3 | -164.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 70 | Y | 32.7 | Very low | 37.2 | Very low | 184 Ų | 184 | 147.6 Ų | 147.6 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | trans | 73.8 | 65.7 | -175.1 | -55.7 | -75.2 | 0 | 0 | 0 | 118 | ||||
| 71 | F | 39.2 | Very low | 37.1 | Very low | 232 Ų | 232 | 143.6 Ų | 143.6 | 100% | 1.018 | 75% | 0.754 | S | S | * | * | -128.5 | 81.1 | 124.2 | -90.7 | -80 | 0 | 0 | 0 | 108.7 | |||||
| 72 | G | 33.2 | Very low | 36.9 | Very low | 58 Ų | 58 | 140.4 Ų | 140.4 | 60% | 0.598 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -155 | 124.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | N74 | G72-N74 PolarHBondContact O-N 3.49Š|
| 73 | L | 44.9 | Very low | 36.7 | Very low | 179 Ų | 179 | 143.6 Ų | 143.6 | 94% | 0.937 | 78% | 0.779 | S | S | * | * | trans | -72.1 | 121.4 | -175.7 | -65.6 | 158.8 | 0 | 0 | 0 | 111.1 | ||||
| 74 | N | 32.1 | Very low | 36.5 | Very low | 139 Ų | 139 | 144.7 Ų | 144.7 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | -93.5 | 95.9 | 166.1 | -92.9 | -15.6 | 0 | 0 | 0 | 110.4 | G72 Q76 | G72-N74 PolarHBondContact O-N 3.49Å; N74-Q76 VanDerWaalsContact C-N 3.33Å; N74-Q76 PolarHBondContact O-N 3.26Å; N74-Q76 VanDerWaalsContact O-N 3.15Å | ||
| 75 | A | 40.7 | Very low | 36.5 | Very low | 105 Ų | 105 | 144.9 Ų | 144.9 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | trans | -81.2 | 78.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | R77 | A75-R77 PolarHBondContact O-N 3.23Š| ||
| 76 | Q | 34.8 | Very low | 36.4 | Very low | 156 Ų | 156 | 143.3 Ų | 143.3 | 73% | 0.729 | 79% | 0.79 | S | S | * | * | trans | -83.2 | 100.2 | 176.8 | -165.7 | 108.5 | 16.7 | 0 | 0 | 110.6 | N74 L78 | N74-Q76 VanDerWaalsContact C-N 3.33Å; N74-Q76 PolarHBondContact O-N 3.26Å; N74-Q76 VanDerWaalsContact O-N 3.15Å; Q76-L78 PolarHBondContact O-N 3.46Å | ||
| 77 | R | 34.9 | Very low | 36.6 | Very low | 247 Ų | 247 | 147.1 Ų | 147.1 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | trans | -67.8 | 107.2 | 167.7 | -176.9 | -174.6 | -172.8 | -170.9 | 2.9 | 109.2 | A75 | A75-R77 PolarHBondContact O-N 3.23Š| ||
| 78 | L | 38.6 | Very low | 36.7 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | -114.5 | 144 | 161.8 | -91.9 | 168.5 | 0 | 0 | 0 | 109.6 | Q76 | Q76-L78 PolarHBondContact O-N 3.46Š| ||
| 79 | A | 36.6 | Very low | 36.5 | Very low | 83 Ų | 83 | 140.9 Ų | 140.9 | 69% | 0.686 | 79% | 0.794 | S | S | * | * | trans | -100.1 | 167.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 80 | E | 33.1 | Very low | 36.2 | Very low | 191 Ų | 191 | 143 Ų | 143 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | trans | 90.9 | 128.4 | 160.1 | -49.1 | -162.2 | 166.8 | 0 | 0 | 119.6 | ||||
| 81 | A | 34.7 | Very low | 36.7 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | trans | 67.2 | 83.1 | 151.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 82 | G | 34.6 | Very low | 37.3 | Very low | 79 Ų | 79 | 133.4 Ų | 133.4 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | 78.7 | 91.7 | 105.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 83 | C | 32.9 | Very low | 37.6 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | -176.9 | 112.4 | 127.2 | -112.5 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 84 | I | 34.3 | Very low | 37.3 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 80% | 0.795 | 80% | 0.798 | S | S | * | * | 64.8 | 109.4 | 85.1 | -62.5 | 174 | 0 | 0 | 0 | 112.9 | |||||
| 85 | S | 37 | Very low | 37.5 | Very low | 97 Ų | 97 | 137.5 Ų | 137.5 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | trans | 83.6 | 137.4 | 152.8 | -94.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 86 | D | 38.3 | Very low | 37.2 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | trans | 80.7 | 77.2 | 144.5 | -51.4 | -10.9 | 0 | 0 | 0 | 120.1 | C88 | D86-C88 VanDerWaalsContact C-N 3.31Å; D86-C88 PolarHBondContact O-N 3.09Å; D86-C88 VanDerWaalsContact O-N 3.12Å | ||
| 87 | W | 41.7 | Very low | 37.4 | Very low | 275 Ų | 275 | 135.7 Ų | 135.7 | 100% | 1.042 | 80% | 0.799 | S | S | * | * | trans | -73.3 | 85.7 | 146.8 | -85.2 | 73.9 | 0 | 0 | 0 | 110.7 | ||||
| 88 | C | 36.3 | Very low | 37.4 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | -109.3 | 126 | 152 | -159.4 | 0 | 0 | 0 | 0 | 105.2 | D86 | D86-C88 VanDerWaalsContact C-N 3.31Å; D86-C88 PolarHBondContact O-N 3.09Å; D86-C88 VanDerWaalsContact O-N 3.12Å | ||
| 89 | G | 33.1 | Very low | 37.4 | Very low | 59 Ų | 59 | 130.2 Ų | 130.2 | 61% | 0.608 | 79% | 0.788 | S | S | * | * | 90.5 | 123 | 50.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 90 | T | 37 | Very low | 37.3 | Very low | 138 Ų | 138 | 134.7 Ų | 134.7 | 85% | 0.847 | 80% | 0.795 | S | S | * | * | trans | 110.1 | 118.8 | 164.8 | -36.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 91 | S | 43 | Very low | 37.5 | Very low | 95 Ų | 95 | 130 Ų | 130 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | trans | -70 | 157.3 | 164.2 | 169 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 92 | P | 51.8 | Low | 38.2 | Very low | 118 Ų | 118 | 131 Ų | 131 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | trans | -125.3 | 113.8 | 146.5 | 32.4 | -20.7 | 0 | 0 | 0 | 112.4 | ||||
| 93 | N | 38.8 | Very low | 38.2 | Very low | 158 Ų | 158 | 134.7 Ų | 134.7 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | trans | -62.1 | 130.6 | 145.4 | -83.5 | -47 | 0 | 0 | 0 | 108.5 | ||||
| 94 | K | 39.4 | Very low | 38.1 | Very low | 205 Ų | 205 | 134.9 Ų | 134.9 | 89% | 0.891 | 78% | 0.778 | S | S | * | * | trans | -148.4 | 119.5 | 151.4 | -118.5 | -172.1 | -178.1 | -170.8 | 0 | 110.8 | ||||
| 95 | A | 36.2 | Very low | 38.2 | Very low | 100 Ų | 100 | 135.1 Ų | 135.1 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | trans | -73.3 | 151.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 96 | C | 33.8 | Very low | 38.1 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | -147.5 | 133.5 | 147.3 | -158.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 97 | S | 39.5 | Very low | 38 | Very low | 94 Ų | 94 | 134 Ų | 134 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | trans | -66.1 | 145.2 | 169.4 | -43 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 98 | D | 34.5 | Very low | 37.7 | Very low | 140 Ų | 140 | 128.9 Ų | 128.9 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | -179.3 | 140.5 | 100 | -97.4 | -30.9 | 0 | 0 | 0 | 114.4 | |||||
| 99 | L | 38 | Very low | 38.3 | Very low | 146 Ų | 146 | 129.2 Ų | 129.2 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | 24.8 | 115.6 | 145.4 | -56.5 | 169.1 | 0 | 0 | 0 | 120.1 | ||||
| 100 | Q | 36.1 | Very low | 38.7 | Very low | 178 Ų | 178 | 134 Ų | 134 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | -168.9 | 140 | 99.3 | -157.3 | 69 | -13.6 | 0 | 0 | 111.7 | |||||
| 101 | S | 36.1 | Very low | 39 | Very low | 91 Ų | 91 | 134.5 Ų | 134.5 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | trans | -83.2 | 163.3 | 175.5 | -160.3 | 0 | 0 | 0 | 0 | 111.9 | Q103 | S101-Q103 PolarHBondContact OG-N 3.14Š| ||
| 102 | P | 49.3 | Very low | 40 | Very low | 126 Ų | 126 | 135 Ų | 135 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | -139.9 | 113.7 | 98.5 | 34.9 | -20.4 | 0 | 0 | 0 | 115.5 | |||||
| 103 | Q | 35.4 | Very low | 39.1 | Very low | 157 Ų | 157 | 133.1 Ų | 133.1 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | 4.8 | 120 | 137.5 | -159.2 | 165.2 | 7.9 | 0 | 0 | 118.4 | S101 | S101-Q103 PolarHBondContact OG-N 3.14Š| ||
| 104 | C | 30.9 | Very low | 39.4 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | -131.1 | 156 | 148.5 | 59.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 105 | H | 36.6 | Very low | 39.2 | Very low | 160 Ų | 160 | 132.4 Ų | 132.4 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | trans | -87.7 | 157.1 | -154.4 | -72.5 | -108.1 | 0 | 0 | 0 | 115.3 | ||||
| 106 | S | 34.3 | Very low | 39.6 | Very low | 106 Ų | 106 | 135.5 Ų | 135.5 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | -19.5 | 149.8 | 160.7 | -40 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 107 | S | 36.1 | Very low | 40.8 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | cis | -159 | 145.9 | 40.8 | -56 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 108 | N | 35 | Very low | 40.7 | Very low | 167 Ų | 167 | 135.6 Ų | 135.6 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | -130.6 | 140.7 | 156.7 | -81.5 | -31 | 0 | 0 | 0 | 107.5 | ||||
| 109 | S | 48.8 | Very low | 41.1 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -115.1 | 140.9 | 174.6 | -59.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 110 | D | 43.1 | Very low | 41.2 | Very low | 161 Ų | 161 | 133.6 Ų | 133.6 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | -61.8 | 129.8 | -179.3 | -54.9 | -83.7 | 0 | 0 | 0 | 112.7 | ||||
| 111 | D | 43.3 | Very low | 41.6 | Very low | 147 Ų | 147 | 136 Ų | 136 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | 101 | -176.6 | 93.7 | -152.9 | -140.6 | 0 | 0 | 0 | 110.6 | |||||
| 112 | P | 62.6 | Low | 41.5 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | -124.3 | 176.1 | -108.4 | 40.2 | -22.7 | 0 | 0 | 0 | 114.4 | |||||
| 113 | G | 32.5 | Very low | 41.3 | Very low | 78 Ų | 78 | 137.5 Ų | 137.5 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -173.7 | 118 | 172 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 114 | Y | 46.2 | Very low | 42.4 | Very low | 227 Ų | 227 | 136 Ų | 136 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | -80.6 | 143.8 | 169.6 | -72.1 | -108 | 0 | 0 | 0 | 110.9 | ||||
| 115 | S | 35.8 | Very low | 42.5 | Very low | 120 Ų | 120 | 135 Ų | 135 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | 157.5 | 126.4 | 127.2 | -69.3 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 116 | L | 43.3 | Very low | 42.7 | Very low | 165 Ų | 165 | 135 Ų | 135 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -93.7 | 171.8 | 141.3 | -74.4 | 163.2 | 0 | 0 | 0 | 107 | ||||
| 117 | P | 59.2 | Low | 43.4 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | cis | -140.3 | -160.8 | 10.6 | 32.4 | -7.1 | 0 | 0 | 0 | 115.1 | ||||
| 118 | T | 36.8 | Very low | 43.6 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 73% | 0.73 | 79% | 0.789 | S | S | * | * | trans | 116.3 | 118.1 | 142.4 | 73.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 119 | S | 43.6 | Very low | 44.1 | Very low | 103 Ų | 103 | 135.1 Ų | 135.1 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | 64.7 | 153.4 | 136.4 | -67.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 120 | D | 40.8 | Very low | 44.2 | Very low | 141 Ų | 141 | 134.7 Ų | 134.7 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | cis | -169.4 | 168.7 | -20.9 | -111.9 | -67.8 | 0 | 0 | 0 | 108.1 | ||||
| 121 | R | 44.2 | Very low | 44.3 | Very low | 227 Ų | 227 | 136.3 Ų | 136.3 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | trans | 75.5 | 146.8 | 174 | -54.8 | -171.6 | 171.8 | -176.3 | -6.1 | 116.9 | ||||
| 122 | D | 34.7 | Very low | 44.1 | Very low | 145 Ų | 145 | 135.5 Ų | 135.5 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | cis | -147.6 | 159.6 | 3.5 | -138.7 | 39.8 | 0 | 0 | 0 | 110.7 | ||||
| 123 | S | 45 | Very low | 43.5 | Very low | 105 Ų | 105 | 138 Ų | 138 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -120.8 | 176.9 | 168.6 | -65.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 124 | P | 58 | Low | 44.1 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | cis | -142.3 | -179.8 | 8.7 | 43 | -24.8 | 0 | 0 | 0 | 116.3 | ||||
| 125 | A | 32.4 | Very low | 44 | Very low | 101 Ų | 101 | 137.9 Ų | 137.9 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | trans | -168.1 | 132.3 | 140 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 126 | L | 41.2 | Very low | 44.2 | Very low | 158 Ų | 158 | 140.3 Ų | 140.3 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | trans | -93.7 | 173.7 | 166.7 | -90.4 | 168.3 | 0 | 0 | 0 | 109.3 | ||||
| 127 | P | 48.2 | Very low | 44 | Very low | 109 Ų | 109 | 136.5 Ų | 136.5 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | cis | -145.7 | 173.9 | 28.9 | 39.2 | -16.7 | 0 | 0 | 0 | 119.6 | ||||
| 128 | E | 41.2 | Very low | 43.3 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 67% | 0.668 | 75% | 0.752 | S | S | * | * | trans | 27.2 | 138.6 | 141.8 | -55.4 | -66.8 | 114.1 | 0 | 0 | 122.3 | ||||
| 129 | P | 46.3 | Very low | 43.6 | Very low | 131 Ų | 131 | 143.9 Ų | 143.9 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | trans | -112.1 | 124.8 | 145.6 | 34 | -22.2 | 0 | 0 | 0 | 112.1 | ||||
| 130 | V | 50 | Low | 43.5 | Very low | 108 Ų | 108 | 145.6 Ų | 145.6 | 66% | 0.655 | 76% | 0.757 | S | S | * | * | trans | -128.9 | 139.3 | 175.2 | -64.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 131 | E | 44.4 | Very low | 43.5 | Very low | 196 Ų | 196 | 147.8 Ų | 147.8 | 92% | 0.916 | 76% | 0.763 | S | S | * | * | trans | 59.5 | 160.1 | 163.9 | -49.4 | -163.5 | 166.1 | 0 | 0 | 116.7 | ||||
| 132 | D | 40.4 | Very low | 43.2 | Very low | 130 Ų | 130 | 140.6 Ų | 140.6 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | cis | 178.9 | 174.4 | -28.9 | -177.7 | -131.1 | 0 | 0 | 0 | 105.4 | ||||
| 133 | H | 50 | Low | 43.8 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 73% | 0.731 | 77% | 0.767 | S | S | * | * | trans | 82.9 | 134 | 161.8 | -94.5 | -50.1 | 0 | 0 | 0 | 123.7 | ||||
| 134 | D | 43.7 | Very low | 44 | Very low | 134 Ų | 134 | 142.1 Ų | 142.1 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | trans | -52 | 159.9 | 178.7 | -55.6 | -95.2 | 0 | 0 | 0 | 120.6 | ||||
| 135 | E | 45.1 | Very low | 43.6 | Very low | 170 Ų | 170 | 142.7 Ų | 142.7 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | 175.7 | 160.4 | 121.2 | -86.4 | -126.2 | 114.5 | 0 | 0 | 109.4 | |||||
| 136 | R | 39.8 | Very low | 44.5 | Very low | 171 Ų | 171 | 143.9 Ų | 143.9 | 65% | 0.645 | 76% | 0.759 | S | S | * | * | cis | -172.2 | 126.3 | -30.8 | 167.7 | 165.9 | -175.7 | -81.1 | 4.3 | 109.6 | ||||
| 137 | N | 38.7 | Very low | 44.9 | Very low | 85 Ų | 85 | 142.9 Ų | 142.9 | 46% | 0.455 | 75% | 0.754 | S | S | . | * | trans | 46.2 | 128.4 | 148.1 | 175.6 | 101.7 | 0 | 0 | 0 | 121.8 | R139 | N137-R139 WeakPolarHBondContact OD1-CG 3.4Å; N137-R139 PolarHBondContact OD1-NE 3.47Å | ||
| 138 | E | 44.5 | Very low | 45.2 | Very low | 194 Ų | 194 | 147.6 Ų | 147.6 | 91% | 0.907 | 76% | 0.764 | S | S | * | * | -132.9 | 153.5 | 129.4 | -82.5 | -116.9 | 113 | 0 | 0 | 109.6 | |||||
| 139 | R | 44.4 | Very low | 45.9 | Very low | 186 Ų | 186 | 147.9 Ų | 147.9 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | trans | -114 | 163.2 | -162.8 | -57.2 | 170.9 | 174.7 | 178.7 | -7.8 | 112.3 | N137 | N137-R139 WeakPolarHBondContact OD1-CG 3.4Å; N137-R139 PolarHBondContact OD1-NE 3.47Å | ||
| 140 | T | 41.6 | Very low | 46 | Very low | 140 Ų | 140 | 149.7 Ų | 149.7 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | trans | -159.2 | 145.5 | 132 | -69.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 141 | E | 40.7 | Very low | 46.3 | Very low | 187 Ų | 187 | 152.4 Ų | 152.4 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -76.2 | 167.9 | -175.4 | -57.9 | 157.2 | 150.7 | 0 | 0 | 112 | ||||
| 142 | G | 37.4 | Very low | 46.4 | Very low | 75 Ų | 75 | 149.7 Ų | 149.7 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | cis | 157.5 | 151.2 | -1.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 143 | S | 47.8 | Very low | 46.8 | Very low | 136 Ų | 136 | 146.4 Ų | 146.4 | 95% | 0.951 | 77% | 0.771 | S | S | * | * | trans | -168 | 156.4 | 157.3 | -148 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 144 | Q | 48.6 | Very low | 47 | Very low | 146 Ų | 146 | 145.2 Ų | 145.2 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | trans | -127.1 | 140 | -162.7 | 166.9 | -170 | -7.2 | 0 | 0 | 111.1 | D146 | Q144-D146 PolarHBondContact NE2-OD1 3.47Å; Q144-D146 PolarHBondContact NE2-OD2 2.88Å | ||
| 145 | T | 49.4 | Very low | 47.4 | Very low | 139 Ų | 139 | 143.5 Ų | 143.5 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | -150.8 | 135.2 | 154.3 | 51.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 146 | D | 52.3 | Low | 47.4 | Very low | 125 Ų | 125 | 141.3 Ų | 141.3 | 67% | 0.668 | 78% | 0.782 | S | S | * | * | trans | -86.7 | 177.1 | -163.5 | -50.3 | -108.7 | 0 | 0 | 0 | 116.4 | Q144 | Q144-D146 PolarHBondContact NE2-OD1 3.47Å; Q144-D146 PolarHBondContact NE2-OD2 2.88Å | ||
| 147 | D | 48.7 | Very low | 47.5 | Very low | 138 Ų | 138 | 143 Ų | 143 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | trans | -73.1 | 168.9 | -163.6 | -47.2 | -99.7 | 0 | 0 | 0 | 118.2 | ||||
| 148 | K | 54.7 | Low | 47.7 | Very low | 208 Ų | 208 | 144 Ų | 144 | 90% | 0.904 | 81% | 0.814 | S | S | * | * | -173.8 | 133.4 | 124.8 | -103.9 | 167 | -174.1 | -177 | 0 | 115.6 | |||||
| 149 | D | 55.9 | Low | 48.3 | Very low | 149 Ų | 149 | 146.4 Ų | 146.4 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | trans | -84.5 | 164.5 | 172.5 | -41.9 | -96.7 | 0 | 0 | 0 | 113.3 | ||||
| 150 | D | 48.1 | Very low | 48.3 | Very low | 168 Ų | 168 | 145.5 Ų | 145.5 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | trans | -159 | 148.9 | 136 | -132.1 | -39.8 | 0 | 0 | 0 | 113.3 | ||||
| 151 | E | 55.5 | Low | 49 | Very low | 165 Ų | 165 | 145.4 Ų | 145.4 | 77% | 0.771 | 82% | 0.818 | S | S | * | * | trans | -113.9 | 149.3 | -174.7 | -101.6 | -85 | 149.3 | 0 | 0 | 110 | ||||
| 152 | T | 48.2 | Very low | 49.3 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -167.8 | 120.1 | 152.4 | -72.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 153 | G | 48.5 | Very low | 49.8 | Very low | 61 Ų | 61 | 145.8 Ų | 145.8 | 63% | 0.629 | 82% | 0.818 | S | S | * | * | trans | -104.7 | 165.5 | 167 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 154 | S | 52.6 | Low | 49.7 | Very low | 133 Ų | 133 | 146 Ų | 146 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | trans | -160 | 157.8 | 158.4 | -135.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 155 | S | 52.4 | Low | 49.8 | Very low | 99 Ų | 99 | 144.6 Ų | 144.6 | 69% | 0.692 | 82% | 0.817 | S | S | * | * | trans | -130.3 | 156.3 | -177.4 | 71.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 156 | C | 45.1 | Very low | 49.9 | Very low | 124 Ų | 124 | 143 Ų | 143 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | 175.5 | 179.3 | 132.2 | 53.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 157 | F | 42.8 | Very low | 49.8 | Very low | 205 Ų | 205 | 143.7 Ų | 143.7 | 90% | 0.899 | 81% | 0.812 | S | S | * | * | trans | -113 | 149.8 | -163.2 | -57.6 | -106.6 | 0 | 0 | 0 | 112.4 | ||||
| 158 | A | 42.9 | Very low | 50.2 | Low | 106 Ų | 106 | 145.2 Ų | 145.2 | 88% | 0.876 | 81% | 0.812 | S | S | * | * | trans | -156.2 | 150.4 | 149.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 159 | R | 56.3 | Low | 50.3 | Low | 245 Ų | 245 | 139.9 Ų | 139.9 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | trans | -111.6 | 148.6 | 174.1 | -59.8 | 170.9 | 172.7 | 176.4 | -4.2 | 108.3 | ||||
| 160 | D | 44.1 | Very low | 50.6 | Low | 168 Ų | 168 | 136.9 Ų | 136.9 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | trans | -157.8 | 160.6 | 144.4 | -155.4 | -156.3 | 0 | 0 | 0 | 112.2 | ||||
| 161 | D | 56.3 | Low | 51.3 | Low | 138 Ų | 138 | 140.6 Ų | 140.6 | 74% | 0.738 | 80% | 0.804 | S | S | * | * | trans | -121.4 | 131.6 | -166.7 | 179.3 | -96.5 | 0 | 0 | 0 | 111.9 | ||||
| 162 | S | 46.9 | Very low | 52 | Low | 119 Ų | 119 | 142.6 Ų | 142.6 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -166 | 131.5 | 162.8 | -114.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 163 | D | 49.4 | Very low | 53.5 | Low | 151 Ų | 151 | 145.5 Ų | 145.5 | 81% | 0.807 | 81% | 0.812 | S | S | * | * | trans | -57.5 | 143.9 | 173.1 | -101.8 | -59.1 | 0 | 0 | 0 | 114.6 | ||||
| 164 | T | 45.8 | Very low | 55 | Low | 139 Ų | 139 | 152.6 Ų | 152.6 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | trans | 179.1 | 156.6 | 130.1 | 25.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 165 | P | 49.5 | Very low | 56.6 | Low | 117 Ų | 117 | 152.7 Ų | 152.7 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | trans | -100.8 | 148.7 | -148.1 | 37.1 | -37.4 | 0 | 0 | 0 | 118.6 | ||||
| 166 | D | 51.3 | Low | 58.3 | Low | 106 Ų | 106 | 158.6 Ų | 158.6 | 57% | 0.567 | 83% | 0.827 | S | S | * | * | trans | 25.9 | 97.2 | 149.3 | -149.4 | -57.1 | 0 | 0 | 0 | 119.4 | K168 | D166-K168 WeakPolarHBondContact OD1-CD 3.49Å; D166-K168 WeakPolarHBondContact OD1-CG 3.37Å; D166-K168 PolarHBondContact OD1-N 3.3Å; D166-K168 IonicContact OD1-NZ 3.56Å; D166-K168 VanDerWaalsContact OD2-CE 3.24Å; D166-K168 WeakPolarHBondContact OD2-CE 3.38Å; D166-K168 IonicContact OD2-NZ 2.67Å; D166-K168 PolarHBondContact OD2-NZ 2.88Å | ||
| 167 | T | 50.6 | Low | 60.4 | Low | 139 Ų | 139 | 157.7 Ų | 157.7 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | trans | -125.1 | 88.3 | 149.5 | 51.1 | 0 | 0 | 0 | 0 | 111 | A169 | T167-A169 PolarHBondContact O-N 3.04Š| ||
| 168 | K | 57.5 | Low | 62.9 | Low | 170 Ų | 170 | 154.2 Ų | 154.2 | 74% | 0.739 | 81% | 0.813 | S | S | * | * | trans | -61.6 | 91.3 | 174.8 | -76.8 | 160.2 | -178.9 | 135 | 0 | 112.6 | D166 A170 | D166-K168 WeakPolarHBondContact OD1-CD 3.49Å; D166-K168 WeakPolarHBondContact OD1-CG 3.37Å; D166-K168 PolarHBondContact OD1-N 3.3Å; D166-K168 IonicContact OD1-NZ 3.56Å; D166-K168 VanDerWaalsContact OD2-CE 3.24Å; D166-K168 WeakPolarHBondContact OD2-CE 3.38Å; D166-K168 IonicContact OD2-NZ 2.67Å; D166-K168 PolarHBondContact OD2-NZ 2.88Å; K168-A170 PolarHBondContact O-N 2.97Å | ||
| 169 | A | 57.5 | Low | 65.5 | Low | 96 Ų | 96 | 152 Ų | 152 | 79% | 0.793 | 78% | 0.784 | S | S | * | * | trans | -64.5 | 96.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T167 R171 | T167-A169 PolarHBondContact O-N 3.04Å; A169-R171 PolarHBondContact O-N 3.29Å | ||
| 170 | A | 60.8 | Low | 67.6 | Low | 86 Ų | 86 | 143.6 Ų | 143.6 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | trans | -60.6 | 120.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | K168 K172 | K168-A170 PolarHBondContact O-N 2.97Å; A170-K172 PolarHBondContact O-N 3.48Å | ||
| 171 | R | 63.3 | Low | 70.1 | Confident | 246 Ų | 246 | 145.5 Ų | 145.5 | 93% | 0.928 | 76% | 0.757 | S | S | * | * | trans | -61.8 | 106.7 | 179.3 | -61 | -177.1 | -132.5 | -170.2 | 3.3 | 110.1 | A169 K173 | A169-R171 PolarHBondContact O-N 3.29Å; R171-K173 PolarHBondContact O-N 3.45Å; R171-K173 VanDerWaalsContact O-N 3.17Å | ||
| 172 | K | 71.1 | Confident | 72.1 | Confident | 208 Ų | 208 | 142.1 Ų | 142.1 | 90% | 0.904 | 75% | 0.745 | S | S | * | * | trans | -61.8 | 114.9 | -178.5 | -64.5 | 178.8 | -178.5 | 176.7 | 0 | 110.3 | A170 | A170-K172 PolarHBondContact O-N 3.48Š| ||
| 173 | K | 79.1 | Confident | 74.6 | Confident | 200 Ų | 200 | 138.3 Ų | 138.3 | 87% | 0.87 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 135.2 | 175.6 | -70.3 | 175.3 | 178.7 | 173.2 | 0 | 109.5 | R171 T175 | R171-K173 PolarHBondContact O-N 3.45Å; R171-K173 VanDerWaalsContact O-N 3.17Å; K173-T175 PolarHBondContact O-N 3.27Å |
| 174 | K | 79.4 | Confident | 76.9 | Confident | 210 Ų | 210 | 132.9 Ų | 132.9 | 91% | 0.913 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 118.9 | 175 | -70.5 | 160.8 | 175.9 | 173.9 | 0 | 109.3 | ||
| 175 | T | 85.6 | Confident | 79.4 | Confident | 134 Ų | 134 | 132.8 Ų | 132.8 | 82% | 0.822 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 137.2 | 175.5 | -56.5 | 0 | 0 | 0 | 0 | 110.3 | K173 T177 | K173-T175 PolarHBondContact O-N 3.27Å; T175-T177 PolarHBondContact O-N 3.15Å |
| 176 | R | 90.1 | Very high | 81.8 | Confident | 224 Ų | 224 | 130.4 Ų | 130.4 | 85% | 0.845 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 126.5 | 179.1 | -173.2 | 179.6 | -178.5 | -162.6 | 0.6 | 110.1 | ||
| 177 | T | 88.9 | Confident | 84 | Confident | 104 Ų | 104 | 125.4 Ų | 125.4 | 64% | 0.638 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 152.2 | 172.8 | 51.7 | 0 | 0 | 0 | 0 | 111.6 | T175 | T175-T177 PolarHBondContact O-N 3.15Š|
| 178 | V | 95.3 | Very high | 86.3 | Confident | 133 Ų | 133 | 121.6 Ų | 121.6 | 81% | 0.806 | 60% | 0.598 | S | S | * | * | trans | -118.8 | 145.2 | 173.4 | -66.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 179 | F | 97.8 | Very high | 88.3 | Confident | 59 Ų | 59 | 116.3 Ų | 116.3 | 26% | 0.259 | 58% | 0.582 | S | S | . | * | trans | -88.2 | 149 | 176.5 | -58 | -39.4 | 0 | 0 | 0 | 110.9 | Q183 V184 L187 L211 Q215 W219 | F179-Q183 HydrophobicContact CB-CB 4.28Å; F179-V184 HydrophobicContact CB-CG2 4Å; F179-L187 HydrophobicContact CD2-CD1 4.36Å; F179-L211 HydrophobicContact CD1-CD1 4.47Å; F179-L211 HydrophobicContact CD1-CD2 3.81Å; F179-L211 HydrophobicContact CE1-CD1 4.41Å; F179-L211 HydrophobicContact CE1-CD2 3.72Å; F179-Q215 HydrophobicContact CE1-CB 4.42Å; F179-Q215 HydrophobicContact CE1-CG 4.41Å; F179-Q215 HydrophobicContact CZ-CB 3.97Å; F179-Q215 HydrophobicContact CZ-CG 4.23Å; F179-W219 AromaticContact CD2-CD1 3.84Å; F179-W219 HydrophobicContact CE2-CB 4.33Å; F179-W219 AromaticContact CE2-CD1 3.76Å; F179-W219 HydrophobicContact CE2-CG 4.39Å | ||
| 180 | S | 98.4 | Very high | 90.2 | Very high | 69 Ų | 69 | 113.1 Ų | 113.1 | 48% | 0.483 | 55% | 0.553 | S | S | . | * | trans | -63.1 | 153.4 | 174.3 | 175.3 | 0 | 0 | 0 | 0 | 111.4 | S182 Q183 V184 | S180-S182 PolarHBondContact O-N 2.89Å; S180-Q183 WeakPolarHBondContact O-CB 3.37Å; S180-Q183 PolarHBondContact O-N 2.76Å; S180-Q183 VanDerWaalsContact O-N 3.11Å; S180-V184 WeakPolarHBondContact O-CG2 3.37Å; S180-V184 PolarHBondContact O-N 2.97Å | ||
| 181 | R | 98.2 | Very high | 92 | Very high | 208 Ų | 208 | 109 Ų | 109 | 79% | 0.785 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.4 | -36.5 | 177.8 | -175.2 | 59.2 | 177.1 | -87.6 | 1 | 112.4 | V184 F185 | R181-V184 PolarHBondContact O-N 3.47Å; R181-F185 WeakPolarHBondContact O-CB 3.19Å; R181-F185 PolarHBondContact O-N 3.13Å |
| 182 | S | 98.3 | Very high | 93.7 | Very high | 67 Ų | 67 | 101.5 Ų | 101.5 | 47% | 0.469 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.6 | -43.4 | 175.4 | 175.9 | 0 | 0 | 0 | 0 | 112 | S180 V184 F185 Q186 | S180-S182 PolarHBondContact O-N 2.89Å; S182-V184 PolarHBondContact O-N 3.31Å; S182-F185 PolarHBondContact O-N 3.46Å; S182-Q186 PolarHBondContact O-N 3.07Å; S182-Q186 VanDerWaalsContact O-N 3.1Å; S182-Q186 PolarHBondContact OG-NE2 3.16Å |
| 183 | Q | 98.5 | Very high | 94.9 | Very high | 39 Ų | 39 | 96.6 Ų | 96.6 | 18% | 0.182 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 175.4 | -68.5 | 171.1 | -39.7 | 0 | 0 | 111.1 | F179 S180 Q186 L187 L209 | F179-Q183 HydrophobicContact CB-CB 4.28Å; S180-Q183 WeakPolarHBondContact O-CB 3.37Å; S180-Q183 PolarHBondContact O-N 2.76Å; S180-Q183 VanDerWaalsContact O-N 3.11Å; Q183-Q186 PolarHBondContact O-N 3.38Å; Q183-L187 WeakPolarHBondContact O-CB 3.28Å; Q183-L187 WeakPolarHBondContact O-CD1 3.43Å; Q183-L187 WeakPolarHBondContact O-CG 3.14Å; Q183-L187 PolarHBondContact O-N 2.91Å; Q183-L209 HydrophobicContact CG-CB 4.5Å; Q183-L209 PolarHBondContact NE2-O 3.19Å |
| 184 | V | 98.6 | Very high | 95.8 | Very high | 36 Ų | 36 | 91.3 Ų | 91.3 | 22% | 0.218 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -62 | -44 | 177 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | F179 S180 R181 S182 Q186 L187 E188 | F179-V184 HydrophobicContact CB-CG2 4Å; S180-V184 WeakPolarHBondContact O-CG2 3.37Å; S180-V184 PolarHBondContact O-N 2.97Å; R181-V184 PolarHBondContact O-N 3.47Å; S182-V184 PolarHBondContact O-N 3.31Å; V184-Q186 PolarHBondContact O-N 2.89Å; V184-L187 PolarHBondContact O-N 2.97Å; V184-E188 HydrophobicContact CG1-CG 4.25Å; V184-E188 WeakPolarHBondContact O-CG 3.39Å; V184-E188 PolarHBondContact O-N 3.17Å |
| 185 | F | 98.5 | Very high | 96.7 | Very high | 138 Ų | 138 | 85.9 Ų | 85.9 | 61% | 0.605 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -58.9 | -47.4 | 178.7 | 174.8 | -101.3 | 0 | 0 | 0 | 112.5 | R181 S182 E188 S189 | R181-F185 WeakPolarHBondContact O-CB 3.19Å; R181-F185 PolarHBondContact O-N 3.13Å; S182-F185 PolarHBondContact O-N 3.46Å; F185-E188 PolarHBondContact O-N 3.14Å; F185-S189 WeakPolarHBondContact O-CB 3.38Å; F185-S189 PolarHBondContact O-N 3.19Å |
| 186 | Q | 98.6 | Very high | 97.3 | Very high | 67 Ų | 67 | 86.6 Ų | 86.6 | 31% | 0.313 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.1 | -36.8 | 178.6 | -68.7 | -177 | 64.2 | 0 | 0 | 112.4 | S182 Q183 V184 T190 L209 | S182-Q186 PolarHBondContact O-N 3.07Å; S182-Q186 VanDerWaalsContact O-N 3.1Å; S182-Q186 PolarHBondContact OG-NE2 3.16Å; Q183-Q186 PolarHBondContact O-N 3.38Å; V184-Q186 PolarHBondContact O-N 2.89Å; Q186-T190 WeakPolarHBondContact O-CB 3.41Å; Q186-T190 PolarHBondContact O-N 3.4Å; Q186-T190 PolarHBondContact O-OG1 3.24Å; Q186-L209 HydrophobicContact CB-CD1 4.41Å; Q186-L209 HydrophobicContact CB-CD2 3.72Å; Q186-L209 VanDerWaalsContact CD-CD2 3.4Å; Q186-L209 HydrophobicContact CG-CD2 4.15Å |
| 187 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 172.7 | -72.5 | 165.1 | 0 | 0 | 0 | 112.1 | F179 Q183 V184 F191 L205 L209 L211 V216 W219 F220 | F179-L187 HydrophobicContact CD2-CD1 4.36Å; Q183-L187 WeakPolarHBondContact O-CB 3.28Å; Q183-L187 WeakPolarHBondContact O-CD1 3.43Å; Q183-L187 WeakPolarHBondContact O-CG 3.14Å; Q183-L187 PolarHBondContact O-N 2.91Å; V184-L187 PolarHBondContact O-N 2.97Å; L187-F191 WeakPolarHBondContact O-CB 3.49Å; L187-F191 PolarHBondContact O-N 3.4Å; L187-L205 HydrophobicContact CD2-CD2 3.95Å; L187-L209 HydrophobicContact CD1-CD1 4.35Å; L187-L209 HydrophobicContact CD2-CD1 3.78Å; L187-L209 HydrophobicContact CG-CD1 3.65Å; L187-L211 HydrophobicContact CD1-CD1 4.19Å; L187-V216 HydrophobicContact CD2-CG1 4.23Å; L187-W219 VanDerWaalsContact C-CH2 3.46Å; L187-W219 HydrophobicContact CB-CD2 3.9Å; L187-W219 HydrophobicContact CB-CE3 3.87Å; L187-W219 HydrophobicContact CB-CH2 3.72Å; L187-W219 HydrophobicContact CB-CZ2 3.71Å; L187-W219 HydrophobicContact CB-CZ3 3.79Å; L187-W219 HydrophobicContact CD1-CD2 3.94Å; L187-W219 HydrophobicContact CD1-CG 3.91Å; L187-W219 HydrophobicContact CD2-CD2 4.33Å; L187-W219 HydrophobicContact CD2-CE3 4.19Å; L187-W219 HydrophobicContact CG-CD2 4.28Å; L187-W219 HydrophobicContact CG-CE3 4.43Å; L187-W219 WeakPolarHBondContact O-CH2 3.43Å; L187-W219 WeakPolarHBondContact O-CZ3 3.48Å; L187-F220 HydrophobicContact CD2-CE2 3.99Å |
| 188 | E | 98.6 | Very high | 98.2 | Very high | 60 Ų | 60 | 74.9 Ų | 74.9 | 28% | 0.28 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.2 | -49 | 176.3 | -71.4 | -173.1 | 132.5 | 0 | 0 | 111.8 | V184 F185 T190 F191 D192 W219 R223 | V184-E188 HydrophobicContact CG1-CG 4.25Å; V184-E188 WeakPolarHBondContact O-CG 3.39Å; V184-E188 PolarHBondContact O-N 3.17Å; F185-E188 PolarHBondContact O-N 3.14Å; E188-T190 VanDerWaalsContact C-N 3.31Å; E188-T190 PolarHBondContact O-N 2.85Å; E188-F191 WeakPolarHBondContact O-CB 3.33Å; E188-F191 PolarHBondContact O-N 3.23Å; E188-D192 VanDerWaalsContact O-CG 3.32Å; E188-D192 PolarHBondContact O-N 3.26Å; E188-W219 HydrophobicContact CB-CH2 4.44Å; E188-W219 HydrophobicContact CG-CH2 3.74Å; E188-W219 HydrophobicContact CG-CZ2 3.68Å; E188-R223 IonicContact OE1-CZ 3.48Å; E188-R223 IonicContact OE1-NH1 2.62Å; E188-R223 PolarHBondContact OE1-NH1 2.72Å; E188-R223 IonicContact OE1-NH2 3.76Å |
| 189 | S | 98.4 | Very high | 98.3 | Very high | 58 Ų | 58 | 71.9 Ų | 71.9 | 41% | 0.406 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -54.2 | -46.2 | 174.4 | 176.5 | 0 | 0 | 0 | 0 | 112 | F185 F191 D192 M193 | F185-S189 WeakPolarHBondContact O-CB 3.38Å; F185-S189 PolarHBondContact O-N 3.19Å; S189-F191 VanDerWaalsContact C-N 3.34Å; S189-F191 PolarHBondContact O-N 2.91Å; S189-D192 PolarHBondContact O-N 3.26Å; S189-M193 PolarHBondContact O-N 3.43Å |
| 190 | T | 98.4 | Very high | 98.3 | Very high | 29 Ų | 29 | 74.7 Ų | 74.7 | 18% | 0.178 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.1 | -37 | 177.3 | -51.2 | 0 | 0 | 0 | 0 | 112.5 | Q186 E188 K194 L197 L205 F220 | Q186-T190 WeakPolarHBondContact O-CB 3.41Å; Q186-T190 PolarHBondContact O-N 3.4Å; Q186-T190 PolarHBondContact O-OG1 3.24Å; E188-T190 VanDerWaalsContact C-N 3.31Å; E188-T190 PolarHBondContact O-N 2.85Å; T190-K194 PolarHBondContact O-N 3.39Å; T190-L197 HydrophobicContact CG2-CD1 4.38Å; T190-L197 HydrophobicContact CG2-CD2 4.13Å; T190-L205 HydrophobicContact CG2-CD2 4Å; T190-F220 HydrophobicContact CG2-CZ 4.13Å |
| 191 | F | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68.2 | -39.3 | 179 | 177.1 | -93.3 | 0 | 0 | 0 | 113.3 | L187 E188 S189 M193 K194 R195 W219 F220 R223 R224 W227 | L187-F191 WeakPolarHBondContact O-CB 3.49Å; L187-F191 PolarHBondContact O-N 3.4Å; E188-F191 WeakPolarHBondContact O-CB 3.33Å; E188-F191 PolarHBondContact O-N 3.23Å; S189-F191 VanDerWaalsContact C-N 3.34Å; S189-F191 PolarHBondContact O-N 2.91Å; F191-M193 VanDerWaalsContact C-N 3.26Å; F191-M193 PolarHBondContact O-N 3.43Å; F191-K194 CarbonylContact O-C 3.27Å; F191-K194 VanDerWaalsContact O-C 3.27Å; F191-K194 PolarHBondContact O-N 3.31Å; F191-R195 HydrophobicContact CE1-CG 4.21Å; F191-R195 HydrophobicContact CE2-CB 3.96Å; F191-R195 HydrophobicContact CE2-CG 4.01Å; F191-R195 HydrophobicContact CZ-CB 4.2Å; F191-R195 HydrophobicContact CZ-CG 3.78Å; F191-R195 PolarHBondContact O-N 2.94Å; F191-W219 HydrophobicContact CB-CH2 4.31Å; F191-W219 HydrophobicContact CB-CZ3 4.03Å; F191-F220 HydrophobicContact CB-CE1 4.02Å; F191-F220 HydrophobicContact CB-CZ 4.22Å; F191-F220 AromaticContact CD2-CD1 3.87Å; F191-F220 HydrophobicContact CD2-CD1 3.87Å; F191-F220 AromaticContact CD2-CE1 3.86Å; F191-F220 HydrophobicContact CD2-CE1 3.86Å; F191-F220 HydrophobicContact CG-CE1 4.46Å; F191-R223 HydrophobicContact CB-CG 4.26Å; F191-R223 HydrophobicContact CD1-CG 3.54Å; F191-R223 HydrophobicContact CD2-CB 4.13Å; F191-R223 HydrophobicContact CD2-CG 3.48Å; F191-R223 VanDerWaalsContact CD2-CG 3.48Å; F191-R223 HydrophobicContact CE1-CG 3.64Å; F191-R223 HydrophobicContact CE2-CB 4.16Å; F191-R223 HydrophobicContact CE2-CG 3.6Å; F191-R223 HydrophobicContact CG-CG 3.45Å; F191-R223 VanDerWaalsContact CG-CG 3.45Å; F191-R223 HydrophobicContact CZ-CG 3.67Å; F191-R224 HydrophobicContact CE2-CG 3.74Å; F191-R224 HydrophobicContact CZ-CG 4.28Å; F191-W227 HydrophobicContact CE1-CD2 4.36Å; F191-W227 AromaticContact CE1-CE3 3.97Å; F191-W227 HydrophobicContact CE1-CE3 3.97Å; F191-W227 HydrophobicContact CZ-CB 4.32Å; F191-W227 HydrophobicContact CZ-CG 4.44Å |
| 192 | D | 98.2 | Very high | 98.4 | Very high | 88 Ų | 88 | 67.3 Ų | 67.3 | 47% | 0.471 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.4 | -31.8 | -178.1 | -65.4 | -20.3 | 0 | 0 | 0 | 110.7 | E188 S189 R223 | E188-D192 VanDerWaalsContact O-CG 3.32Å; E188-D192 PolarHBondContact O-N 3.26Å; S189-D192 PolarHBondContact O-N 3.26Å; D192-R223 IonicContact OD1-NH2 3.55Å |
| 193 | M | 97.5 | Very high | 98.4 | Very high | 105 Ų | 105 | 66 Ų | 66 | 52% | 0.517 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -69.9 | -52.3 | 166.1 | -62.3 | -170.5 | -75.3 | 0 | 0 | 113.2 | W61 S189 F191 | W61-M193 HydrophobicContact CH2-CE 4.01Å; W61-M193 HydrophobicContact CH2-SD 3.37Å; W61-M193 WeakPolarHBondContact CH2-SD 3.43Å; W61-M193 HydrophobicContact CZ3-CE 4.07Å; W61-M193 HydrophobicContact CZ3-SD 3.32Å; W61-M193 WeakPolarHBondContact CZ3-SD 3.45Å; S189-M193 PolarHBondContact O-N 3.43Å; F191-M193 VanDerWaalsContact C-N 3.26Å; F191-M193 PolarHBondContact O-N 3.43Å |
| 194 | K | 97.9 | Very high | 98.4 | Very high | 89 Ų | 89 | 66.4 Ų | 66.4 | 39% | 0.387 | 35% | 0.352 | S | S | . | . | trans | -139 | 107.1 | -172 | -156.9 | -175.1 | -173.9 | -175.8 | 0 | 111.7 | T190 F191 Y196 L197 E201 F220 | T190-K194 PolarHBondContact O-N 3.39Å; F191-K194 CarbonylContact O-C 3.27Å; F191-K194 VanDerWaalsContact O-C 3.27Å; F191-K194 PolarHBondContact O-N 3.31Å; K194-Y196 VanDerWaalsContact CD-O 3.26Å; K194-Y196 WeakPolarHBondContact CD-O 3.23Å; K194-Y196 WeakPolarHBondContact CE-O 3.41Å; K194-Y196 WeakPolarHBondContact CG-O 3.5Å; K194-Y196 PolarHBondContact O-N 2.94Å; K194-Y196 VanDerWaalsContact O-N 3.12Å; K194-L197 HydrophobicContact CB-CD2 4.25Å; K194-L197 HydrophobicContact CD-CD2 4.16Å; K194-E201 IonicContact NZ-OE1 2.62Å; K194-E201 PolarHBondContact NZ-OE1 3.37Å; K194-E201 IonicContact NZ-OE2 2.72Å; K194-E201 PolarHBondContact NZ-OE2 2.82Å; K194-F220 WeakPolarHBondContact O-CE1 3.26Å | ||
| 195 | R | 98 | Very high | 98.4 | Very high | 96 Ų | 96 | 65.7 Ų | 65.7 | 36% | 0.362 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -65.7 | -16.3 | -177.8 | -66 | 176.9 | 172.7 | 70.2 | 6 | 114.5 | F191 R224 | F191-R195 HydrophobicContact CE1-CG 4.21Å; F191-R195 HydrophobicContact CE2-CB 3.96Å; F191-R195 HydrophobicContact CE2-CG 4.01Å; F191-R195 HydrophobicContact CZ-CB 4.2Å; F191-R195 HydrophobicContact CZ-CG 3.78Å; F191-R195 PolarHBondContact O-N 2.94Å; R195-R224 VanDerWaalsContact O-CD 3.28Å; R195-R224 WeakPolarHBondContact O-CD 3.43Å |
| 196 | Y | 98.3 | Very high | 98.4 | Very high | 150 Ų | 150 | 59.4 Ų | 59.4 | 59% | 0.588 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -139.5 | 122.3 | -177.2 | -65.7 | -99.8 | 0 | 0 | 0 | 110.3 | K194 R224 | K194-Y196 VanDerWaalsContact CD-O 3.26Å; K194-Y196 WeakPolarHBondContact CD-O 3.23Å; K194-Y196 WeakPolarHBondContact CE-O 3.41Å; K194-Y196 WeakPolarHBondContact CG-O 3.5Å; K194-Y196 PolarHBondContact O-N 2.94Å; K194-Y196 VanDerWaalsContact O-N 3.12Å; Y196-R224 VanDerWaalsContact CE1-CD 3.44Å |
| 197 | L | 98.3 | Very high | 98.4 | Very high | 29 Ų | 29 | 59.8 Ų | 59.8 | 15% | 0.152 | 34% | 0.335 | C | S | . | . | trans | -99.8 | 140.2 | 177.4 | -57.8 | -174.4 | 0 | 0 | 0 | 112.1 | T190 K194 E201 R202 L205 V216 F220 | T190-L197 HydrophobicContact CG2-CD1 4.38Å; T190-L197 HydrophobicContact CG2-CD2 4.13Å; K194-L197 HydrophobicContact CB-CD2 4.25Å; K194-L197 HydrophobicContact CD-CD2 4.16Å; L197-E201 WeakPolarHBondContact CA-OE2 3.42Å; L197-E201 HydrophobicContact CB-CB 4.08Å; L197-E201 HydrophobicContact CD2-CB 4.28Å; L197-R202 PolarHBondContact O-NH2 3.49Å; L197-L205 HydrophobicContact CD1-CD2 3.82Å; L197-V216 HydrophobicContact CD1-CG1 4.42Å; L197-F220 HydrophobicContact CD1-CD1 4.48Å; L197-F220 HydrophobicContact CD1-CD2 4.25Å; L197-F220 HydrophobicContact CD1-CE1 3.95Å; L197-F220 HydrophobicContact CD1-CE2 3.69Å; L197-F220 HydrophobicContact CD1-CZ 3.53Å; L197-F220 HydrophobicContact CD2-CE1 4.2Å; L197-F220 HydrophobicContact CD2-CZ 4.34Å; L197-F220 HydrophobicContact CG-CD1 4.15Å; L197-F220 HydrophobicContact CG-CE1 3.71Å; L197-F220 HydrophobicContact CG-CE2 4.36Å; L197-F220 HydrophobicContact CG-CZ 3.84Å | ||
| 198 | S | 98.4 | Very high | 98.3 | Very high | 53 Ų | 53 | 63.7 Ų | 63.7 | 37% | 0.371 | 36% | 0.363 | S | S | . | . | trans | -63.9 | 177.5 | 166.2 | 80.6 | 0 | 0 | 0 | 0 | 111 | T200 E201 R202 | S198-T200 PolarHBondContact OG-N 2.62Å; S198-E201 PolarHBondContact N-OE2 3.23Å; S198-E201 WeakPolarHBondContact OG-CG 3.4Å; S198-E201 PolarHBondContact OG-N 2.9Å; S198-E201 VanDerWaalsContact OG-N 3.16Å; S198-E201 PolarHBondContact OG-OE2 2.89Å; S198-R202 WeakPolarHBondContact O-CB 3.43Å; S198-R202 PolarHBondContact O-N 2.8Å; S198-R202 PolarHBondContact O-NH2 3.5Å | ||
| 199 | S | 98.3 | Very high | 98.3 | Very high | 70 Ų | 70 | 61.2 Ų | 61.2 | 49% | 0.49 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.8 | -46.6 | 175 | -130.5 | 0 | 0 | 0 | 0 | 111.7 | E201 R202 A203 | S199-E201 PolarHBondContact O-N 3.46Å; S199-R202 WeakPolarHBondContact O-CB 3.23Å; S199-R202 PolarHBondContact O-N 3.29Å; S199-R202 VanDerWaalsContact O-N 3.11Å; S199-R202 PolarHBondContact OG-NH1 2.93Å; S199-R202 VanDerWaalsContact OG-NH1 3.11Å; S199-A203 PolarHBondContact O-N 3.11Å |
| 200 | T | 98.4 | Very high | 98.3 | Very high | 117 Ų | 117 | 67 Ų | 67 | 72% | 0.718 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -60.6 | -44.5 | 179.2 | -38.3 | 0 | 0 | 0 | 0 | 112.4 | S198 R202 A203 G204 | S198-T200 PolarHBondContact OG-N 2.62Å; T200-R202 VanDerWaalsContact C-N 3.26Å; T200-R202 PolarHBondContact O-N 3.28Å; T200-A203 PolarHBondContact O-N 3.26Å; T200-G204 PolarHBondContact O-N 3.45Å |
| 201 | E | 98.4 | Very high | 98.3 | Very high | 77 Ų | 77 | 66.7 Ų | 66.7 | 36% | 0.36 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.4 | -36.7 | 176 | -70.6 | 171.2 | 148.9 | 0 | 0 | 111.9 | K194 L197 S198 S199 L205 | K194-E201 IonicContact NZ-OE1 2.62Å; K194-E201 PolarHBondContact NZ-OE1 3.37Å; K194-E201 IonicContact NZ-OE2 2.72Å; K194-E201 PolarHBondContact NZ-OE2 2.82Å; L197-E201 WeakPolarHBondContact CA-OE2 3.42Å; L197-E201 HydrophobicContact CB-CB 4.08Å; L197-E201 HydrophobicContact CD2-CB 4.28Å; S198-E201 PolarHBondContact N-OE2 3.23Å; S198-E201 WeakPolarHBondContact OG-CG 3.4Å; S198-E201 PolarHBondContact OG-N 2.9Å; S198-E201 VanDerWaalsContact OG-N 3.16Å; S198-E201 PolarHBondContact OG-OE2 2.89Å; S199-E201 PolarHBondContact O-N 3.46Å; E201-L205 WeakPolarHBondContact O-CB 3.32Å; E201-L205 PolarHBondContact O-N 3.49Å; E201-L205 VanDerWaalsContact O-N 3.13Å |
| 202 | R | 98.7 | Very high | 98.3 | Very high | 46 Ų | 46 | 70.3 Ų | 70.3 | 17% | 0.174 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -71 | -40.4 | 177.9 | -164 | -170.5 | -45.7 | 110.1 | 10.6 | 112 | L197 S198 S199 T200 L205 A206 E213 V216 | L197-R202 PolarHBondContact O-NH2 3.49Å; S198-R202 WeakPolarHBondContact O-CB 3.43Å; S198-R202 PolarHBondContact O-N 2.8Å; S198-R202 PolarHBondContact O-NH2 3.5Å; S199-R202 WeakPolarHBondContact O-CB 3.23Å; S199-R202 PolarHBondContact O-N 3.29Å; S199-R202 VanDerWaalsContact O-N 3.11Å; S199-R202 PolarHBondContact OG-NH1 2.93Å; S199-R202 VanDerWaalsContact OG-NH1 3.11Å; T200-R202 VanDerWaalsContact C-N 3.26Å; T200-R202 PolarHBondContact O-N 3.28Å; R202-L205 PolarHBondContact O-N 3.04Å; R202-A206 WeakPolarHBondContact O-CB 3.36Å; R202-A206 PolarHBondContact O-N 3.41Å; R202-E213 VanDerWaalsContact CD-O 3.23Å; R202-E213 WeakPolarHBondContact CD-O 3.38Å; R202-E213 HydrophobicContact CG-CB 4.42Å; R202-E213 HydrophobicContact CG-CG 4.24Å; R202-E213 IonicContact CZ-OE2 2.98Å; R202-E213 IonicContact NH1-OE2 3.97Å; R202-E213 PolarHBondContact NH1-OE2 3.27Å; R202-V216 HydrophobicContact CG-CB 3.87Å; R202-V216 HydrophobicContact CG-CG1 3.73Å |
| 203 | A | 98.6 | Very high | 98.3 | Very high | 40 Ų | 40 | 69.7 Ų | 69.7 | 33% | 0.331 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S199 T200 L205 A206 A207 E213 | S199-A203 PolarHBondContact O-N 3.11Å; T200-A203 PolarHBondContact O-N 3.26Å; A203-L205 PolarHBondContact O-N 3.35Å; A203-A206 PolarHBondContact O-N 3.04Å; A203-A207 PolarHBondContact O-N 3.33Å; A203-E213 HydrophobicContact CB-CG 4.39Å |
| 204 | G | 98.5 | Very high | 98.3 | Very high | 46 Ų | 46 | 68.9 Ų | 68.9 | 47% | 0.474 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T200 A207 S208 | T200-G204 PolarHBondContact O-N 3.45Å; G204-A207 PolarHBondContact O-N 3.38Å; G204-S208 PolarHBondContact O-N 3.42Å; G204-S208 VanDerWaalsContact O-N 3.09Å |
| 205 | L | 98.4 | Very high | 98.3 | Very high | 21 Ų | 21 | 67.6 Ų | 67.6 | 11% | 0.11 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.2 | -36 | 177.3 | -170.5 | 64.4 | 0 | 0 | 0 | 112.5 | L187 T190 L197 E201 R202 A203 L209 V216 F220 | L187-L205 HydrophobicContact CD2-CD2 3.95Å; T190-L205 HydrophobicContact CG2-CD2 4Å; L197-L205 HydrophobicContact CD1-CD2 3.82Å; E201-L205 WeakPolarHBondContact O-CB 3.32Å; E201-L205 PolarHBondContact O-N 3.49Å; E201-L205 VanDerWaalsContact O-N 3.13Å; R202-L205 PolarHBondContact O-N 3.04Å; A203-L205 PolarHBondContact O-N 3.35Å; L205-L209 HydrophobicContact CD1-CD1 3.89Å; L205-L209 HydrophobicContact CD1-CG 4.16Å; L205-L209 HydrophobicContact CG-CD1 3.94Å; L205-L209 HydrophobicContact CG-CG 4.43Å; L205-L209 WeakPolarHBondContact O-CB 3.42Å; L205-L209 VanDerWaalsContact O-CG 3.28Å; L205-L209 WeakPolarHBondContact O-CG 3.34Å; L205-L209 PolarHBondContact O-N 2.97Å; L205-L209 VanDerWaalsContact O-N 3.11Å; L205-V216 HydrophobicContact CD2-CG1 4.02Å; L205-F220 HydrophobicContact CD2-CE2 3.92Å; L205-F220 HydrophobicContact CD2-CZ 4.32Å |
| 206 | A | 98.6 | Very high | 98.3 | Very high | 6 Ų | 6 | 63.1 Ų | 63.1 | 5% | 0.05 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R202 A203 L209 Q210 L211 E213 V216 | R202-A206 WeakPolarHBondContact O-CB 3.36Å; R202-A206 PolarHBondContact O-N 3.41Å; A203-A206 PolarHBondContact O-N 3.04Å; A206-L209 PolarHBondContact O-N 3.04Å; A206-Q210 PolarHBondContact O-N 3.26Å; A206-Q210 VanDerWaalsContact O-N 3.1Å; A206-L211 CarbonylContact C-O 3.47Å; A206-L211 WeakPolarHBondContact CB-O 3.44Å; A206-L211 PolarHBondContact O-N 3.32Å; A206-L211 VanDerWaalsContact O-O 3.1Å; A206-E213 HydrophobicContact CB-CG 4.14Å; A206-V216 HydrophobicContact CB-CG2 4.01Å |
| 207 | A | 98.4 | Very high | 98.3 | Very high | 76 Ų | 76 | 62.2 Ų | 62.2 | 63% | 0.628 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.3 | -50.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A203 G204 L209 Q210 | A203-A207 PolarHBondContact O-N 3.33Å; G204-A207 PolarHBondContact O-N 3.38Å; A207-L209 VanDerWaalsContact C-N 3.32Å; A207-L209 PolarHBondContact O-N 3.13Å; A207-Q210 PolarHBondContact O-N 2.93Å |
| 208 | S | 98.1 | Very high | 98.4 | Very high | 82 Ų | 82 | 65.2 Ų | 65.2 | 57% | 0.573 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -57.9 | -41.2 | 178.9 | 178.8 | 0 | 0 | 0 | 0 | 112.9 | G204 | G204-S208 PolarHBondContact O-N 3.42Å; G204-S208 VanDerWaalsContact O-N 3.09Å |
| 209 | L | 97.9 | Very high | 98.4 | Very high | 8 Ų | 8 | 64.3 Ų | 64.3 | 4% | 0.042 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -88.4 | -1.2 | -176.2 | -60.5 | -175.6 | 0 | 0 | 0 | 114.8 | Q183 Q186 L187 L205 A206 A207 L211 | Q183-L209 HydrophobicContact CG-CB 4.5Å; Q183-L209 PolarHBondContact NE2-O 3.19Å; Q186-L209 HydrophobicContact CB-CD1 4.41Å; Q186-L209 HydrophobicContact CB-CD2 3.72Å; Q186-L209 VanDerWaalsContact CD-CD2 3.4Å; Q186-L209 HydrophobicContact CG-CD2 4.15Å; L187-L209 HydrophobicContact CD1-CD1 4.35Å; L187-L209 HydrophobicContact CD2-CD1 3.78Å; L187-L209 HydrophobicContact CG-CD1 3.65Å; L205-L209 HydrophobicContact CD1-CD1 3.89Å; L205-L209 HydrophobicContact CD1-CG 4.16Å; L205-L209 HydrophobicContact CG-CD1 3.94Å; L205-L209 HydrophobicContact CG-CG 4.43Å; L205-L209 WeakPolarHBondContact O-CB 3.42Å; L205-L209 VanDerWaalsContact O-CG 3.28Å; L205-L209 WeakPolarHBondContact O-CG 3.34Å; L205-L209 PolarHBondContact O-N 2.97Å; L205-L209 VanDerWaalsContact O-N 3.11Å; A206-L209 PolarHBondContact O-N 3.04Å; A207-L209 VanDerWaalsContact C-N 3.32Å; A207-L209 PolarHBondContact O-N 3.13Å; L209-L211 VanDerWaalsContact C-N 3.25Å; L209-L211 HydrophobicContact CB-CB 4.48Å; L209-L211 HydrophobicContact CB-CD1 4.01Å; L209-L211 HydrophobicContact CB-CG 3.97Å; L209-L211 HydrophobicContact CD1-CD1 4.28Å; L209-L211 PolarHBondContact O-N 2.82Å |
| 210 | Q | 98.2 | Very high | 98.4 | Very high | 180 Ų | 180 | 61.3 Ų | 61.3 | 84% | 0.841 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 42.9 | -171 | -55.4 | 178.6 | 4.8 | 0 | 0 | 112.3 | A206 A207 | A206-Q210 PolarHBondContact O-N 3.26Å; A206-Q210 VanDerWaalsContact O-N 3.1Å; A207-Q210 PolarHBondContact O-N 2.93Å |
| 211 | L | 97.9 | Very high | 98.4 | Very high | 22 Ų | 22 | 59.6 Ų | 59.6 | 12% | 0.115 | 33% | 0.33 | C | S | . | . | trans | -115.9 | 162.5 | 176.6 | -64.4 | 179.9 | 0 | 0 | 0 | 109.9 | F179 L187 A206 L209 Q215 V216 | F179-L211 HydrophobicContact CD1-CD1 4.47Å; F179-L211 HydrophobicContact CD1-CD2 3.81Å; F179-L211 HydrophobicContact CE1-CD1 4.41Å; F179-L211 HydrophobicContact CE1-CD2 3.72Å; L187-L211 HydrophobicContact CD1-CD1 4.19Å; A206-L211 CarbonylContact C-O 3.47Å; A206-L211 WeakPolarHBondContact CB-O 3.44Å; A206-L211 PolarHBondContact O-N 3.32Å; A206-L211 VanDerWaalsContact O-O 3.1Å; L209-L211 VanDerWaalsContact C-N 3.25Å; L209-L211 HydrophobicContact CB-CB 4.48Å; L209-L211 HydrophobicContact CB-CD1 4.01Å; L209-L211 HydrophobicContact CB-CG 3.97Å; L209-L211 HydrophobicContact CD1-CD1 4.28Å; L209-L211 PolarHBondContact O-N 2.82Å; L211-Q215 HydrophobicContact CB-CB 4.42Å; L211-V216 HydrophobicContact CB-CG2 4.21Å; L211-V216 HydrophobicContact CD1-CG2 4.49Å | ||
| 212 | T | 98.4 | Very high | 98.4 | Very high | 76 Ų | 76 | 60.3 Ų | 60.3 | 47% | 0.466 | 34% | 0.336 | S | S | . | . | trans | -81.8 | 150.2 | 168.7 | 68 | 0 | 0 | 0 | 0 | 110.7 | T214 Q215 V216 | T212-T214 PolarHBondContact O-N 3.1Å; T212-T214 VanDerWaalsContact O-N 3.14Å; T212-Q215 WeakPolarHBondContact O-CA 3.47Å; T212-Q215 WeakPolarHBondContact O-CB 3.32Å; T212-Q215 PolarHBondContact O-N 3.25Å; T212-Q215 WeakPolarHBondContact OG1-CG 3.37Å; T212-Q215 PolarHBondContact OG1-N 3.26Å; T212-Q215 PolarHBondContact OG1-OE1 3.3Å; T212-V216 PolarHBondContact O-N 3.13Å; T212-V216 VanDerWaalsContact O-N 3.09Å | ||
| 213 | E | 98.4 | Very high | 98.4 | Very high | 74 Ų | 74 | 59.9 Ų | 59.9 | 35% | 0.346 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -50.7 | -38.7 | 171.6 | -86.6 | -161.6 | -112.5 | 0 | 0 | 112.7 | R202 A203 A206 Q215 V216 K217 | R202-E213 VanDerWaalsContact CD-O 3.23Å; R202-E213 WeakPolarHBondContact CD-O 3.38Å; R202-E213 HydrophobicContact CG-CB 4.42Å; R202-E213 HydrophobicContact CG-CG 4.24Å; R202-E213 IonicContact CZ-OE2 2.98Å; R202-E213 IonicContact NH1-OE2 3.97Å; R202-E213 PolarHBondContact NH1-OE2 3.27Å; A203-E213 HydrophobicContact CB-CG 4.39Å; A206-E213 HydrophobicContact CB-CG 4.14Å; E213-Q215 PolarHBondContact O-N 3.23Å; E213-V216 PolarHBondContact O-N 3.15Å; E213-K217 VanDerWaalsContact O-CB 3.32Å; E213-K217 WeakPolarHBondContact O-CB 3.34Å; E213-K217 PolarHBondContact O-N 2.87Å |
| 214 | T | 98.3 | Very high | 98.4 | Very high | 89 Ų | 89 | 60.6 Ų | 60.6 | 55% | 0.546 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.2 | -38.5 | 177.2 | -64.7 | 0 | 0 | 0 | 0 | 112 | T212 K217 I218 | T212-T214 PolarHBondContact O-N 3.1Å; T212-T214 VanDerWaalsContact O-N 3.14Å; T214-K217 PolarHBondContact O-N 2.91Å; T214-I218 HydrophobicContact CG2-CD1 3.82Å; T214-I218 HydrophobicContact CG2-CG1 4.47Å; T214-I218 WeakPolarHBondContact O-CB 3.22Å; T214-I218 WeakPolarHBondContact O-CD1 3.38Å; T214-I218 VanDerWaalsContact O-CG1 3.23Å; T214-I218 WeakPolarHBondContact O-CG1 3.47Å; T214-I218 PolarHBondContact O-N 3.14Å |
| 215 | Q | 98.1 | Very high | 98.3 | Very high | 62 Ų | 62 | 61.2 Ų | 61.2 | 29% | 0.29 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 173.6 | -76.1 | 166.9 | -27.3 | 0 | 0 | 111.5 | F179 L211 T212 E213 I218 W219 | F179-Q215 HydrophobicContact CE1-CB 4.42Å; F179-Q215 HydrophobicContact CE1-CG 4.41Å; F179-Q215 HydrophobicContact CZ-CB 3.97Å; F179-Q215 HydrophobicContact CZ-CG 4.23Å; L211-Q215 HydrophobicContact CB-CB 4.42Å; T212-Q215 WeakPolarHBondContact O-CA 3.47Å; T212-Q215 WeakPolarHBondContact O-CB 3.32Å; T212-Q215 PolarHBondContact O-N 3.25Å; T212-Q215 WeakPolarHBondContact OG1-CG 3.37Å; T212-Q215 PolarHBondContact OG1-N 3.26Å; T212-Q215 PolarHBondContact OG1-OE1 3.3Å; E213-Q215 PolarHBondContact O-N 3.23Å; Q215-I218 PolarHBondContact O-N 3.5Å; Q215-W219 WeakPolarHBondContact O-CB 3.45Å; Q215-W219 PolarHBondContact O-N 3.02Å |
| 216 | V | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.006 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 175.7 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | L187 L197 R202 L205 A206 L211 T212 E213 I218 W219 F220 | L187-V216 HydrophobicContact CD2-CG1 4.23Å; L197-V216 HydrophobicContact CD1-CG1 4.42Å; R202-V216 HydrophobicContact CG-CB 3.87Å; R202-V216 HydrophobicContact CG-CG1 3.73Å; L205-V216 HydrophobicContact CD2-CG1 4.02Å; A206-V216 HydrophobicContact CB-CG2 4.01Å; L211-V216 HydrophobicContact CB-CG2 4.21Å; L211-V216 HydrophobicContact CD1-CG2 4.49Å; T212-V216 PolarHBondContact O-N 3.13Å; T212-V216 VanDerWaalsContact O-N 3.09Å; E213-V216 PolarHBondContact O-N 3.15Å; V216-I218 PolarHBondContact O-N 2.9Å; V216-W219 PolarHBondContact O-N 3.41Å; V216-F220 HydrophobicContact CG1-CD2 3.81Å; V216-F220 HydrophobicContact CG1-CE2 3.97Å; V216-F220 WeakPolarHBondContact O-CD2 3.31Å; V216-F220 PolarHBondContact O-N 3.11Å |
| 217 | K | 98.3 | Very high | 98.2 | Very high | 131 Ų | 131 | 69.4 Ų | 69.4 | 57% | 0.57 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -55.8 | -48.7 | 175.5 | -178.7 | 177.8 | 177.5 | 177.7 | 0 | 111.9 | E213 T214 Q221 | E213-K217 VanDerWaalsContact O-CB 3.32Å; E213-K217 WeakPolarHBondContact O-CB 3.34Å; E213-K217 PolarHBondContact O-N 2.87Å; T214-K217 PolarHBondContact O-N 2.91Å; K217-Q221 WeakPolarHBondContact O-CB 3.33Å; K217-Q221 PolarHBondContact O-N 3.49Å |
| 218 | I | 98.4 | Very high | 98.1 | Very high | 92 Ų | 92 | 72.3 Ų | 72.3 | 47% | 0.472 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.7 | -43 | 178.4 | -70.9 | 167.3 | 0 | 0 | 0 | 110.7 | T214 Q215 V216 Q221 N222 | T214-I218 HydrophobicContact CG2-CD1 3.82Å; T214-I218 HydrophobicContact CG2-CG1 4.47Å; T214-I218 WeakPolarHBondContact O-CB 3.22Å; T214-I218 WeakPolarHBondContact O-CD1 3.38Å; T214-I218 VanDerWaalsContact O-CG1 3.23Å; T214-I218 WeakPolarHBondContact O-CG1 3.47Å; T214-I218 PolarHBondContact O-N 3.14Å; Q215-I218 PolarHBondContact O-N 3.5Å; V216-I218 PolarHBondContact O-N 2.9Å; I218-Q221 PolarHBondContact O-N 3.4Å; I218-N222 WeakPolarHBondContact O-CB 3.33Å; I218-N222 VanDerWaalsContact O-CG 3.26Å; I218-N222 PolarHBondContact O-N 2.97Å; I218-N222 PolarHBondContact O-ND2 2.95Å |
| 219 | W | 98.4 | Very high | 97.9 | Very high | 34 Ų | 34 | 77.5 Ų | 77.5 | 13% | 0.129 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.1 | -48.2 | 178.2 | -170.7 | 99 | 0 | 0 | 0 | 111.5 | F179 L187 E188 F191 Q215 V216 Q221 N222 R223 | F179-W219 AromaticContact CD2-CD1 3.84Å; F179-W219 HydrophobicContact CE2-CB 4.33Å; F179-W219 AromaticContact CE2-CD1 3.76Å; F179-W219 HydrophobicContact CE2-CG 4.39Å; L187-W219 VanDerWaalsContact C-CH2 3.46Å; L187-W219 HydrophobicContact CB-CD2 3.9Å; L187-W219 HydrophobicContact CB-CE3 3.87Å; L187-W219 HydrophobicContact CB-CH2 3.72Å; L187-W219 HydrophobicContact CB-CZ2 3.71Å; L187-W219 HydrophobicContact CB-CZ3 3.79Å; L187-W219 HydrophobicContact CD1-CD2 3.94Å; L187-W219 HydrophobicContact CD1-CG 3.91Å; L187-W219 HydrophobicContact CD2-CD2 4.33Å; L187-W219 HydrophobicContact CD2-CE3 4.19Å; L187-W219 HydrophobicContact CG-CD2 4.28Å; L187-W219 HydrophobicContact CG-CE3 4.43Å; L187-W219 WeakPolarHBondContact O-CH2 3.43Å; L187-W219 WeakPolarHBondContact O-CZ3 3.48Å; E188-W219 HydrophobicContact CB-CH2 4.44Å; E188-W219 HydrophobicContact CG-CH2 3.74Å; E188-W219 HydrophobicContact CG-CZ2 3.68Å; F191-W219 HydrophobicContact CB-CH2 4.31Å; F191-W219 HydrophobicContact CB-CZ3 4.03Å; Q215-W219 WeakPolarHBondContact O-CB 3.45Å; Q215-W219 PolarHBondContact O-N 3.02Å; V216-W219 PolarHBondContact O-N 3.41Å; W219-Q221 VanDerWaalsContact C-N 3.31Å; W219-Q221 PolarHBondContact O-N 2.98Å; W219-N222 PolarHBondContact O-N 3.42Å; W219-N222 VanDerWaalsContact O-N 3.15Å; W219-R223 HydrophobicContact CE3-CB 4.05Å; W219-R223 HydrophobicContact CH2-CB 4Å; W219-R223 HydrophobicContact CH2-CG 3.75Å; W219-R223 HydrophobicContact CZ3-CB 3.72Å; W219-R223 HydrophobicContact CZ3-CG 3.78Å; W219-R223 WeakPolarHBondContact O-CB 3.39Å; W219-R223 PolarHBondContact O-N 3.43Å |
| 220 | F | 98.8 | Very high | 97.7 | Very high | 8 Ų | 8 | 81.1 Ų | 81.1 | 4% | 0.035 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.5 | -35.9 | 176.4 | -91.4 | -101 | 0 | 0 | 0 | 112.6 | L187 T190 F191 K194 L197 L205 V216 R224 | L187-F220 HydrophobicContact CD2-CE2 3.99Å; T190-F220 HydrophobicContact CG2-CZ 4.13Å; F191-F220 HydrophobicContact CB-CE1 4.02Å; F191-F220 HydrophobicContact CB-CZ 4.22Å; F191-F220 AromaticContact CD2-CD1 3.87Å; F191-F220 HydrophobicContact CD2-CD1 3.87Å; F191-F220 AromaticContact CD2-CE1 3.86Å; F191-F220 HydrophobicContact CD2-CE1 3.86Å; F191-F220 HydrophobicContact CG-CE1 4.46Å; K194-F220 WeakPolarHBondContact O-CE1 3.26Å; L197-F220 HydrophobicContact CD1-CD1 4.48Å; L197-F220 HydrophobicContact CD1-CD2 4.25Å; L197-F220 HydrophobicContact CD1-CE1 3.95Å; L197-F220 HydrophobicContact CD1-CE2 3.69Å; L197-F220 HydrophobicContact CD1-CZ 3.53Å; L197-F220 HydrophobicContact CD2-CE1 4.2Å; L197-F220 HydrophobicContact CD2-CZ 4.34Å; L197-F220 HydrophobicContact CG-CD1 4.15Å; L197-F220 HydrophobicContact CG-CE1 3.71Å; L197-F220 HydrophobicContact CG-CE2 4.36Å; L197-F220 HydrophobicContact CG-CZ 3.84Å; L205-F220 HydrophobicContact CD2-CE2 3.92Å; L205-F220 HydrophobicContact CD2-CZ 4.32Å; V216-F220 HydrophobicContact CG1-CD2 3.81Å; V216-F220 HydrophobicContact CG1-CE2 3.97Å; V216-F220 WeakPolarHBondContact O-CD2 3.31Å; V216-F220 PolarHBondContact O-N 3.11Å; F220-R224 WeakPolarHBondContact O-CG 3.41Å; F220-R224 PolarHBondContact O-N 3.36Å; F220-R224 PolarHBondContact O-NE 2.98Å |
| 221 | Q | 98.6 | Very high | 97.4 | Very high | 80 Ų | 80 | 76.4 Ų | 76.4 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.7 | -40.3 | 174.1 | -171.6 | 58.6 | 67.6 | 0 | 0 | 112 | K217 I218 W219 N225 | K217-Q221 WeakPolarHBondContact O-CB 3.33Å; K217-Q221 PolarHBondContact O-N 3.49Å; I218-Q221 PolarHBondContact O-N 3.4Å; W219-Q221 VanDerWaalsContact C-N 3.31Å; W219-Q221 PolarHBondContact O-N 2.98Å; Q221-N225 PolarHBondContact NE2-ND2 2.62Å; Q221-N225 VanDerWaalsContact NE2-ND2 3.18Å; Q221-N225 PolarHBondContact O-N 3.38Å; Q221-N225 VanDerWaalsContact O-N 3.14Å; Q221-N225 PolarHBondContact O-ND2 3.43Å |
| 222 | N | 98.3 | Very high | 97.1 | Very high | 92 Ų | 92 | 78.1 Ų | 78.1 | 49% | 0.492 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.9 | -41.9 | 175.5 | -71.2 | -27.9 | 0 | 0 | 0 | 111.7 | I218 W219 N225 K226 | I218-N222 WeakPolarHBondContact O-CB 3.33Å; I218-N222 VanDerWaalsContact O-CG 3.26Å; I218-N222 PolarHBondContact O-N 2.97Å; I218-N222 PolarHBondContact O-ND2 2.95Å; W219-N222 PolarHBondContact O-N 3.42Å; W219-N222 VanDerWaalsContact O-N 3.15Å; N222-N225 PolarHBondContact O-N 3.26Å; N222-K226 PolarHBondContact O-N 3.16Å |
| 223 | R | 98.4 | Very high | 96.7 | Very high | 37 Ų | 37 | 77 Ų | 77 | 14% | 0.14 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 177.4 | -175.9 | 63.7 | 176.7 | -161.4 | -4.7 | 111.7 | E188 F191 D192 W219 N225 K226 W227 | E188-R223 IonicContact OE1-CZ 3.48Å; E188-R223 IonicContact OE1-NH1 2.62Å; E188-R223 PolarHBondContact OE1-NH1 2.72Å; E188-R223 IonicContact OE1-NH2 3.76Å; F191-R223 HydrophobicContact CB-CG 4.26Å; F191-R223 HydrophobicContact CD1-CG 3.54Å; F191-R223 HydrophobicContact CD2-CB 4.13Å; F191-R223 HydrophobicContact CD2-CG 3.48Å; F191-R223 VanDerWaalsContact CD2-CG 3.48Å; F191-R223 HydrophobicContact CE1-CG 3.64Å; F191-R223 HydrophobicContact CE2-CB 4.16Å; F191-R223 HydrophobicContact CE2-CG 3.6Å; F191-R223 HydrophobicContact CG-CG 3.45Å; F191-R223 VanDerWaalsContact CG-CG 3.45Å; F191-R223 HydrophobicContact CZ-CG 3.67Å; D192-R223 IonicContact OD1-NH2 3.55Å; W219-R223 HydrophobicContact CE3-CB 4.05Å; W219-R223 HydrophobicContact CH2-CB 4Å; W219-R223 HydrophobicContact CH2-CG 3.75Å; W219-R223 HydrophobicContact CZ3-CB 3.72Å; W219-R223 HydrophobicContact CZ3-CG 3.78Å; W219-R223 WeakPolarHBondContact O-CB 3.39Å; W219-R223 PolarHBondContact O-N 3.43Å; R223-N225 VanDerWaalsContact C-N 3.33Å; R223-N225 PolarHBondContact O-N 2.78Å; R223-K226 PolarHBondContact O-N 3.48Å; R223-W227 WeakPolarHBondContact O-CB 3.32Å; R223-W227 PolarHBondContact O-N 2.77Å |
| 224 | R | 98.4 | Very high | 96.1 | Very high | 56 Ų | 56 | 78 Ų | 78 | 21% | 0.211 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.3 | -39.9 | 172.9 | -75.9 | -175.7 | -78.7 | 130 | 2.3 | 113 | F191 R195 Y196 F220 W227 K228 | F191-R224 HydrophobicContact CE2-CG 3.74Å; F191-R224 HydrophobicContact CZ-CG 4.28Å; R195-R224 VanDerWaalsContact O-CD 3.28Å; R195-R224 WeakPolarHBondContact O-CD 3.43Å; Y196-R224 VanDerWaalsContact CE1-CD 3.44Å; F220-R224 WeakPolarHBondContact O-CG 3.41Å; F220-R224 PolarHBondContact O-N 3.36Å; F220-R224 PolarHBondContact O-NE 2.98Å; R224-W227 PolarHBondContact O-N 3.09Å; R224-K228 WeakPolarHBondContact O-CB 3.47Å; R224-K228 PolarHBondContact O-N 3.45Å |
| 225 | N | 98.1 | Very high | 95.3 | Very high | 58 Ų | 58 | 80.3 Ų | 80.3 | 31% | 0.31 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 176.3 | -83.9 | -61.9 | 0 | 0 | 0 | 112.6 | Q221 N222 R223 R229 | Q221-N225 PolarHBondContact NE2-ND2 2.62Å; Q221-N225 VanDerWaalsContact NE2-ND2 3.18Å; Q221-N225 PolarHBondContact O-N 3.38Å; Q221-N225 VanDerWaalsContact O-N 3.14Å; Q221-N225 PolarHBondContact O-ND2 3.43Å; N222-N225 PolarHBondContact O-N 3.26Å; R223-N225 VanDerWaalsContact C-N 3.33Å; R223-N225 PolarHBondContact O-N 2.78Å; N225-R229 WeakPolarHBondContact O-CG 3.46Å; N225-R229 PolarHBondContact O-N 2.96Å; N225-R229 VanDerWaalsContact O-N 3.15Å |
| 226 | K | 97.2 | Very high | 94.5 | Very high | 112 Ų | 112 | 79.3 Ų | 79.3 | 49% | 0.487 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.2 | -49.4 | 173.2 | -173.7 | -172.6 | 174.7 | -172.1 | 0 | 110.8 | N222 R223 K228 R229 Q230 | N222-K226 PolarHBondContact O-N 3.16Å; R223-K226 PolarHBondContact O-N 3.48Å; K226-K228 PolarHBondContact O-N 3.14Å; K226-R229 WeakPolarHBondContact O-CB 3.38Å; K226-R229 PolarHBondContact O-N 3.43Å; K226-R229 VanDerWaalsContact O-N 3.08Å; K226-Q230 WeakPolarHBondContact O-CG 3.37Å; K226-Q230 PolarHBondContact O-N 3.48Å |
| 227 | W | 96.6 | Very high | 93.1 | Very high | 88 Ų | 88 | 82.1 Ų | 82.1 | 33% | 0.333 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -54.3 | -48.4 | 177.1 | 179.8 | -84.4 | 0 | 0 | 0 | 112.3 | F191 R223 R224 R229 Q230 I231 | F191-W227 HydrophobicContact CE1-CD2 4.36Å; F191-W227 AromaticContact CE1-CE3 3.97Å; F191-W227 HydrophobicContact CE1-CE3 3.97Å; F191-W227 HydrophobicContact CZ-CB 4.32Å; F191-W227 HydrophobicContact CZ-CG 4.44Å; R223-W227 WeakPolarHBondContact O-CB 3.32Å; R223-W227 PolarHBondContact O-N 2.77Å; R224-W227 PolarHBondContact O-N 3.09Å; W227-R229 VanDerWaalsContact C-N 3.3Å; W227-R229 PolarHBondContact O-N 2.97Å; W227-Q230 PolarHBondContact O-N 3.15Å; W227-Q230 VanDerWaalsContact O-N 3.17Å; W227-I231 HydrophobicContact CZ2-CD1 4.48Å; W227-I231 VanDerWaalsContact NE1-CD1 3.25Å; W227-I231 PolarHBondContact O-N 3.08Å; W227-I231 VanDerWaalsContact O-N 3.13Å |
| 228 | K | 96.2 | Very high | 91.3 | Very high | 137 Ų | 137 | 80 Ų | 80 | 60% | 0.596 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -60.3 | -38.2 | 176.7 | -172.6 | 176.3 | 68.4 | 170.9 | 0 | 112.6 | R224 K226 A232 | R224-K228 WeakPolarHBondContact O-CB 3.47Å; R224-K228 PolarHBondContact O-N 3.45Å; K226-K228 PolarHBondContact O-N 3.14Å; K228-A232 WeakPolarHBondContact O-CB 3.48Å; K228-A232 PolarHBondContact O-N 3.23Å; K228-A232 VanDerWaalsContact O-N 3.14Å |
| 229 | R | 95.3 | Very high | 89.3 | Confident | 191 Ų | 191 | 79 Ų | 79 | 72% | 0.721 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -69.6 | -34 | 176.5 | -71.9 | 175.6 | -178.2 | -175.3 | -0.2 | 112.6 | N225 K226 W227 A233 | N225-R229 WeakPolarHBondContact O-CG 3.46Å; N225-R229 PolarHBondContact O-N 2.96Å; N225-R229 VanDerWaalsContact O-N 3.15Å; K226-R229 WeakPolarHBondContact O-CB 3.38Å; K226-R229 PolarHBondContact O-N 3.43Å; K226-R229 VanDerWaalsContact O-N 3.08Å; W227-R229 VanDerWaalsContact C-N 3.3Å; W227-R229 PolarHBondContact O-N 2.97Å; R229-A233 WeakPolarHBondContact O-CB 3.2Å; R229-A233 PolarHBondContact O-N 3.18Å |
| 230 | Q | 93.5 | Very high | 87.3 | Confident | 84 Ų | 84 | 82.1 Ų | 82.1 | 39% | 0.393 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.2 | -53.4 | 175.4 | -69.7 | 171.1 | -73.6 | 0 | 0 | 110.2 | K226 W227 A232 A233 D234 | K226-Q230 WeakPolarHBondContact O-CG 3.37Å; K226-Q230 PolarHBondContact O-N 3.48Å; W227-Q230 PolarHBondContact O-N 3.15Å; W227-Q230 VanDerWaalsContact O-N 3.17Å; Q230-A232 VanDerWaalsContact C-N 3.3Å; Q230-A232 PolarHBondContact O-N 3.36Å; Q230-A233 WeakPolarHBondContact O-CA 3.28Å; Q230-A233 WeakPolarHBondContact O-CB 3.41Å; Q230-A233 PolarHBondContact O-N 3.42Å; Q230-D234 PolarHBondContact O-N 3.24Å |
| 231 | I | 91.6 | Very high | 85 | Confident | 80 Ų | 80 | 86.1 Ų | 86.1 | 41% | 0.41 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -53.9 | -46 | 175.7 | -65.7 | 174.9 | 0 | 0 | 0 | 111.9 | W227 A233 D234 M235 | W227-I231 HydrophobicContact CZ2-CD1 4.48Å; W227-I231 VanDerWaalsContact NE1-CD1 3.25Å; W227-I231 PolarHBondContact O-N 3.08Å; W227-I231 VanDerWaalsContact O-N 3.13Å; I231-A233 VanDerWaalsContact C-N 3.32Å; I231-A233 PolarHBondContact O-N 3.25Å; I231-D234 PolarHBondContact O-N 3.17Å; I231-M235 HydrophobicContact CG2-SD 4.33Å; I231-M235 WeakPolarHBondContact O-CG 3.19Å; I231-M235 PolarHBondContact O-N 3.14Å; I231-M235 VanDerWaalsContact O-N 3.09Å |
| 232 | A | 90.7 | Very high | 82.7 | Confident | 58 Ų | 58 | 91.3 Ų | 91.3 | 48% | 0.479 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.8 | -34.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | K228 Q230 A236 | K228-A232 WeakPolarHBondContact O-CB 3.48Å; K228-A232 PolarHBondContact O-N 3.23Å; K228-A232 VanDerWaalsContact O-N 3.14Å; Q230-A232 VanDerWaalsContact C-N 3.3Å; Q230-A232 PolarHBondContact O-N 3.36Å; A232-A236 WeakPolarHBondContact O-CB 3.39Å; A232-A236 PolarHBondContact O-N 2.97Å |
| 233 | A | 89.8 | Confident | 80.4 | Confident | 54 Ų | 54 | 89.6 Ų | 89.6 | 45% | 0.446 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.9 | -41.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R229 Q230 I231 M235 A236 S237 | R229-A233 WeakPolarHBondContact O-CB 3.2Å; R229-A233 PolarHBondContact O-N 3.18Å; Q230-A233 WeakPolarHBondContact O-CA 3.28Å; Q230-A233 WeakPolarHBondContact O-CB 3.41Å; Q230-A233 PolarHBondContact O-N 3.42Å; I231-A233 VanDerWaalsContact C-N 3.32Å; I231-A233 PolarHBondContact O-N 3.25Å; A233-M235 VanDerWaalsContact C-N 3.34Å; A233-M235 PolarHBondContact O-N 2.96Å; A233-A236 CarbonylContact O-C 3.53Å; A233-A236 PolarHBondContact O-N 3.33Å; A233-A236 VanDerWaalsContact O-N 3.09Å; A233-S237 PolarHBondContact O-N 2.88Å; A233-S237 PolarHBondContact O-OG 3.13Å |
| 234 | D | 86.3 | Confident | 78.1 | Confident | 95 Ų | 95 | 91.8 Ų | 91.8 | 51% | 0.508 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.4 | -37.8 | -179.6 | -57.5 | -27.3 | 0 | 0 | 0 | 111.5 | Q230 I231 S237 T238 | Q230-D234 PolarHBondContact O-N 3.24Å; I231-D234 PolarHBondContact O-N 3.17Å; D234-S237 WeakPolarHBondContact CA-OG 3.45Å; D234-S237 PolarHBondContact O-OG 3.32Å; D234-T238 PolarHBondContact O-N 2.85Å; D234-T238 PolarHBondContact O-OG1 3.14Å |
| 235 | M | 82.6 | Confident | 76 | Confident | 136 Ų | 136 | 98 Ų | 98 | 67% | 0.67 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.5 | -40.5 | 170.6 | -68.1 | -178.3 | 76.7 | 0 | 0 | 112.1 | I231 A233 T238 S239 | I231-M235 HydrophobicContact CG2-SD 4.33Å; I231-M235 WeakPolarHBondContact O-CG 3.19Å; I231-M235 PolarHBondContact O-N 3.14Å; I231-M235 VanDerWaalsContact O-N 3.09Å; A233-M235 VanDerWaalsContact C-N 3.34Å; A233-M235 PolarHBondContact O-N 2.96Å; M235-T238 PolarHBondContact O-N 2.96Å; M235-S239 PolarHBondContact O-N 2.91Å |
| 236 | A | 80.3 | Confident | 74.1 | Confident | 41 Ų | 41 | 105.4 Ų | 105.4 | 34% | 0.339 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -72 | -37.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | A232 A233 T238 S239 I240 | A232-A236 WeakPolarHBondContact O-CB 3.39Å; A232-A236 PolarHBondContact O-N 2.97Å; A233-A236 CarbonylContact O-C 3.53Å; A233-A236 PolarHBondContact O-N 3.33Å; A233-A236 VanDerWaalsContact O-N 3.09Å; A236-T238 VanDerWaalsContact C-N 3.26Å; A236-T238 PolarHBondContact O-N 3.12Å; A236-S239 PolarHBondContact O-N 3.15Å; A236-S239 PolarHBondContact O-OG 3.21Å; A236-I240 WeakPolarHBondContact O-CB 3.28Å; A236-I240 WeakPolarHBondContact O-CD1 3.34Å; A236-I240 WeakPolarHBondContact O-CG1 3.36Å; A236-I240 PolarHBondContact O-N 3.41Å |
| 237 | S | 70.4 | Confident | 72.1 | Confident | 60 Ų | 60 | 107 Ų | 107 | 42% | 0.42 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.7 | -34.2 | 174.8 | 51.3 | 0 | 0 | 0 | 0 | 111.7 | A233 D234 I240 S241 | A233-S237 PolarHBondContact O-N 2.88Å; A233-S237 PolarHBondContact O-OG 3.13Å; D234-S237 WeakPolarHBondContact CA-OG 3.45Å; D234-S237 PolarHBondContact O-OG 3.32Å; S237-I240 PolarHBondContact O-N 2.86Å; S237-S241 PolarHBondContact O-N 3.23Å; S237-S241 VanDerWaalsContact O-N 3.14Å; S237-S241 PolarHBondContact O-OG 3.29Å |
| 238 | T | 60.5 | Low | 69.8 | Low | 88 Ų | 88 | 108.9 Ų | 108.9 | 54% | 0.54 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.3 | -37.4 | 175.3 | -53.8 | 0 | 0 | 0 | 0 | 111.7 | D234 M235 A236 F242 | D234-T238 PolarHBondContact O-N 2.85Å; D234-T238 PolarHBondContact O-OG1 3.14Å; M235-T238 PolarHBondContact O-N 2.96Å; A236-T238 VanDerWaalsContact C-N 3.26Å; A236-T238 PolarHBondContact O-N 3.12Å; T238-F242 VanDerWaalsContact O-CD2 3.28Å; T238-F242 WeakPolarHBondContact O-CD2 3.46Å |
| 239 | S | 56.4 | Low | 68 | Low | 69 Ų | 69 | 112.6 Ų | 112.6 | 48% | 0.483 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -80.9 | -27.4 | 175.3 | 66.8 | 0 | 0 | 0 | 0 | 114 | M235 A236 F242 S243 | M235-S239 PolarHBondContact O-N 2.91Å; A236-S239 PolarHBondContact O-N 3.15Å; A236-S239 PolarHBondContact O-OG 3.21Å; S239-F242 PolarHBondContact O-N 3.03Å; S239-S243 PolarHBondContact O-OG 3.4Å |
| 240 | I | 55.1 | Low | 65.9 | Low | 100 Ų | 100 | 109.4 Ų | 109.4 | 51% | 0.513 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.9 | -35.5 | 174.5 | -73 | 163.2 | 0 | 0 | 0 | 111.4 | A236 S237 F242 S243 A244 | A236-I240 WeakPolarHBondContact O-CB 3.28Å; A236-I240 WeakPolarHBondContact O-CD1 3.34Å; A236-I240 WeakPolarHBondContact O-CG1 3.36Å; A236-I240 PolarHBondContact O-N 3.41Å; S237-I240 PolarHBondContact O-N 2.86Å; I240-F242 PolarHBondContact O-N 3.23Å; I240-F242 VanDerWaalsContact O-N 3.15Å; I240-S243 WeakPolarHBondContact CA-OG 3.46Å; I240-S243 CarbonylContact O-C 3.5Å; I240-S243 PolarHBondContact O-N 3.32Å; I240-S243 PolarHBondContact O-OG 3.17Å; I240-A244 PolarHBondContact O-N 2.81Å |
| 241 | S | 50.2 | Low | 63.9 | Low | 93 Ų | 93 | 110.9 Ų | 110.9 | 65% | 0.65 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | -28.7 | 173.7 | -66.5 | 0 | 0 | 0 | 0 | 113.9 | S237 | S237-S241 PolarHBondContact O-N 3.23Å; S237-S241 VanDerWaalsContact O-N 3.14Å; S237-S241 PolarHBondContact O-OG 3.29Å |
| 242 | F | 50.2 | Low | 62.4 | Low | 188 Ų | 188 | 112.7 Ų | 112.7 | 83% | 0.825 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -8.7 | 174.6 | -66.7 | -78.1 | 0 | 0 | 0 | 114.2 | T238 S239 I240 | T238-F242 VanDerWaalsContact O-CD2 3.28Å; T238-F242 WeakPolarHBondContact O-CD2 3.46Å; S239-F242 PolarHBondContact O-N 3.03Å; I240-F242 PolarHBondContact O-N 3.23Å; I240-F242 VanDerWaalsContact O-N 3.15Å |
| 243 | S | 51.3 | Low | 60.9 | Low | 57 Ų | 57 | 117.3 Ų | 117.3 | 40% | 0.399 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -119 | 5 | -179.4 | 55.5 | 0 | 0 | 0 | 0 | 114.3 | S239 I240 Q245 R246 | S239-S243 PolarHBondContact O-OG 3.4Å; I240-S243 WeakPolarHBondContact CA-OG 3.46Å; I240-S243 CarbonylContact O-C 3.5Å; I240-S243 PolarHBondContact O-N 3.32Å; I240-S243 PolarHBondContact O-OG 3.17Å; S243-Q245 PolarHBondContact O-N 3.49Å; S243-R246 WeakPolarHBondContact O-CG 3.12Å; S243-R246 PolarHBondContact O-N 3.19Å |
| 244 | A | 49.9 | Very low | 59.1 | Low | 82 Ų | 82 | 123.9 Ų | 123.9 | 68% | 0.678 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 7.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | I240 R246 | I240-A244 PolarHBondContact O-N 2.81Å; A244-R246 VanDerWaalsContact C-N 3.34Å |
| 245 | Q | 54.5 | Low | 57.4 | Low | 186 Ų | 186 | 126.8 Ų | 126.8 | 87% | 0.869 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 3.1 | 170.6 | -67.1 | -173.5 | -8.6 | 0 | 0 | 113.8 | S243 I247 | S243-Q245 PolarHBondContact O-N 3.49Å; Q245-I247 PolarHBondContact O-N 3.09Å |
| 246 | R | 57.4 | Low | 55.7 | Low | 215 Ų | 215 | 128.8 Ų | 128.8 | 81% | 0.811 | 67% | 0.67 | S | S | * | * | trans | -87 | 88.3 | -178.7 | -56.4 | -68.7 | 172.9 | 142.5 | 0.8 | 111.1 | S243 A244 V248 | S243-R246 WeakPolarHBondContact O-CG 3.12Å; S243-R246 PolarHBondContact O-N 3.19Å; A244-R246 VanDerWaalsContact C-N 3.34Å; R246-V248 PolarHBondContact O-N 3.12Å | ||
| 247 | I | 56.5 | Low | 54 | Low | 144 Ų | 144 | 133.6 Ų | 133.6 | 74% | 0.738 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 119 | 175.1 | -61.3 | 163.7 | 0 | 0 | 0 | 110.4 | Q245 | Q245-I247 PolarHBondContact O-N 3.09Š|
| 248 | V | 47.2 | Very low | 52.5 | Low | 129 Ų | 129 | 134.7 Ų | 134.7 | 78% | 0.782 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 120.1 | 174.6 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | R246 | R246-V248 PolarHBondContact O-N 3.12Š|
| 249 | R | 58.9 | Low | 51.6 | Low | 215 Ų | 215 | 136 Ų | 136 | 81% | 0.811 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 131.5 | 170.8 | -69.7 | -172.6 | 170.6 | 91.6 | 0.3 | 109.8 | ||
| 250 | V | 50 | Low | 51.6 | Low | 124 Ų | 124 | 138.8 Ų | 138.8 | 75% | 0.752 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 125.5 | 177.3 | 179.2 | 0 | 0 | 0 | 0 | 109.6 | I252 | V250-I252 PolarHBondContact O-N 3.35Š|
| 251 | P | 52.1 | Low | 50.9 | Low | 114 Ų | 114 | 136.9 Ų | 136.9 | 74% | 0.74 | 74% | 0.737 | S | S | * | * | trans | -70.2 | 115.8 | 168.9 | -14.7 | 30 | 0 | 0 | 0 | 109.7 | I253 | P251-I253 PolarHBondContact O-N 3.27Š| ||
| 252 | I | 59.8 | Low | 50.5 | Low | 119 Ų | 119 | 138.8 Ų | 138.8 | 61% | 0.61 | 74% | 0.744 | S | S | * | * | trans | -79.7 | 104.4 | 171.2 | -55.5 | 177.5 | 0 | 0 | 0 | 107.4 | V250 Y254 | V250-I252 PolarHBondContact O-N 3.35Å; I252-Y254 HydrophobicContact CB-CD2 4.34Å; I252-Y254 HydrophobicContact CB-CE2 3.89Å; I252-Y254 HydrophobicContact CG2-CD2 3.82Å; I252-Y254 HydrophobicContact CG2-CE1 4.2Å; I252-Y254 HydrophobicContact CG2-CE2 3.43Å; I252-Y254 VanDerWaalsContact CG2-CE2 3.43Å; I252-Y254 HydrophobicContact CG2-CG 4.36Å; I252-Y254 PolarHBondContact O-N 3.28Å; I252-Y254 VanDerWaalsContact O-N 3.13Å | ||
| 253 | I | 60.6 | Low | 50.5 | Low | 155 Ų | 155 | 137.2 Ų | 137.2 | 80% | 0.795 | 74% | 0.744 | S | S | * | * | trans | -76.2 | 97.3 | 170.8 | -56.3 | 178.9 | 0 | 0 | 0 | 107.5 | P251 | P251-I253 PolarHBondContact O-N 3.27Š| ||
| 254 | Y | 50.5 | Low | 50.1 | Low | 192 Ų | 192 | 142 Ų | 142 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 129.1 | 162.9 | -68.8 | -83.8 | 0 | 0 | 0 | 108.5 | I252 | I252-Y254 HydrophobicContact CB-CD2 4.34Å; I252-Y254 HydrophobicContact CB-CE2 3.89Å; I252-Y254 HydrophobicContact CG2-CD2 3.82Å; I252-Y254 HydrophobicContact CG2-CE1 4.2Å; I252-Y254 HydrophobicContact CG2-CE2 3.43Å; I252-Y254 VanDerWaalsContact CG2-CE2 3.43Å; I252-Y254 HydrophobicContact CG2-CG 4.36Å; I252-Y254 PolarHBondContact O-N 3.28Å; I252-Y254 VanDerWaalsContact O-N 3.13Å |
| 255 | H | 50.4 | Low | 49.8 | Very low | 155 Ų | 155 | 142.4 Ų | 142.4 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 120.1 | 170.3 | 58.6 | 89.8 | 0 | 0 | 0 | 108.5 | N257 | H255-N257 PolarHBondContact ND1-OD1 3.49Š|
| 256 | E | 48.4 | Very low | 49.4 | Very low | 179 Ų | 179 | 140.9 Ų | 140.9 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 120.1 | 173.5 | -171.6 | -166.5 | 139.8 | 0 | 0 | 109.3 | ||
| 257 | N | 43.8 | Very low | 48.6 | Very low | 141 Ų | 141 | 138.3 Ų | 138.3 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | trans | -107.9 | 90.7 | 173.1 | -74.1 | 41.5 | 0 | 0 | 0 | 109.6 | H255 | H255-N257 PolarHBondContact ND1-OD1 3.49Š| ||
| 258 | A | 39.1 | Very low | 48.1 | Very low | 83 Ų | 83 | 135.1 Ų | 135.1 | 69% | 0.686 | 76% | 0.763 | S | S | * | * | trans | -140.8 | 142.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 259 | S | 41 | Very low | 48 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -120.3 | -167.3 | -176.7 | -156.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 260 | P | 56.4 | Low | 47.3 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | -102.5 | 157.1 | -107.1 | 36.8 | -24.1 | 0 | 0 | 0 | 114.5 | |||||
| 261 | G | 40.4 | Very low | 47.1 | Very low | 60 Ų | 60 | 133 Ų | 133 | 62% | 0.619 | 77% | 0.767 | S | S | * | * | trans | -169 | 107.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 262 | T | 41.7 | Very low | 47.1 | Very low | 133 Ų | 133 | 133.3 Ų | 133.3 | 82% | 0.816 | 77% | 0.769 | S | S | * | * | 85.4 | 109.4 | 87.9 | 44.4 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 263 | L | 50.2 | Low | 47 | Very low | 154 Ų | 154 | 133.6 Ų | 133.6 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | trans | 73.2 | 108.3 | 148.8 | -49.7 | 178 | 0 | 0 | 0 | 120 | ||||
| 264 | N | 43.9 | Very low | 46.7 | Very low | 159 Ų | 159 | 133.9 Ų | 133.9 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | 173.3 | 118 | 115.3 | -86.6 | -17.4 | 0 | 0 | 0 | 109.1 | |||||
| 265 | A | 43.9 | Very low | 46.7 | Very low | 89 Ų | 89 | 131.4 Ų | 131.4 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | 83 | 78.4 | 70.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 266 | N | 44.5 | Very low | 46.2 | Very low | 155 Ų | 155 | 127.6 Ų | 127.6 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | 51.5 | 109.6 | 129.2 | -154.4 | -13.8 | 0 | 0 | 0 | 119.8 | |||||
| 267 | L | 42.4 | Very low | 46.1 | Very low | 160 Ų | 160 | 129.3 Ų | 129.3 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -147.3 | 124.2 | 138.4 | -174 | 58.8 | 0 | 0 | 0 | 110.5 | ||||
| 268 | A | 45.6 | Very low | 46.2 | Very low | 78 Ų | 78 | 128.1 Ų | 128.1 | 65% | 0.645 | 80% | 0.796 | S | S | * | * | trans | -90 | 140.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 269 | Q | 45.3 | Very low | 46.2 | Very low | 170 Ų | 170 | 130 Ų | 130 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | -152.1 | 107.2 | 160.4 | -112.8 | 176.7 | -16.1 | 0 | 0 | 112.7 | ||||
| 270 | V | 42.5 | Very low | 46.5 | Very low | 139 Ų | 139 | 130.7 Ų | 130.7 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | trans | 36.9 | 146.1 | 141.6 | -56 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 271 | S | 45.9 | Very low | 46.2 | Very low | 114 Ų | 114 | 131 Ų | 131 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 162.9 | -174.6 | -49.8 | 0 | 0 | 0 | 0 | 117.3 | ||
| 272 | P | 53.6 | Low | 46.2 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 159.5 | -177.7 | 37.2 | -36.3 | 0 | 0 | 0 | 114.1 | ||
| 273 | P | 56.7 | Low | 46.2 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 149.9 | 158.2 | 34.9 | -29.7 | 0 | 0 | 0 | 112.6 | ||
| 274 | L | 53.7 | Low | 46.6 | Very low | 160 Ų | 160 | 136.2 Ų | 136.2 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -80 | 172 | 174.3 | -159.7 | 76.2 | 0 | 0 | 0 | 111.3 | ||
| 275 | V | 50.6 | Low | 46.9 | Very low | 141 Ų | 141 | 136.3 Ų | 136.3 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | 76.2 | 126.6 | 167.1 | -51.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 276 | G | 40 | Very low | 46.9 | Very low | 75 Ų | 75 | 136.8 Ų | 136.8 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | 159.1 | 79.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 277 | F | 47.1 | Very low | 47.3 | Very low | 215 Ų | 215 | 137.5 Ų | 137.5 | 94% | 0.943 | 81% | 0.806 | S | S | * | * | trans | -77.7 | 154.1 | 172.9 | -88.4 | -92.9 | 0 | 0 | 0 | 111.7 | ||||
| 278 | S | 46.7 | Very low | 47.3 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | 80.8 | 110.2 | 171.7 | -152.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 279 | S | 37.2 | Very low | 47.4 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -139 | 123.8 | 164.5 | -65.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 280 | T | 48.3 | Very low | 47.6 | Very low | 130 Ų | 130 | 140.7 Ų | 140.7 | 80% | 0.798 | 81% | 0.809 | S | S | * | * | trans | -69.7 | 153.3 | 173.3 | 39.5 | 0 | 0 | 0 | 0 | 111.6 | N282 | T280-N282 PolarHBondContact O-N 3.38Š| ||
| 281 | V | 50.3 | Low | 48.3 | Very low | 134 Ų | 134 | 139.9 Ų | 139.9 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | -61.2 | 126.4 | 177 | -81.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 282 | N | 39.5 | Very low | 48.5 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | trans | -142.2 | 125.8 | 171.7 | -165.8 | 21.4 | 0 | 0 | 0 | 109.6 | T280 | T280-N282 PolarHBondContact O-N 3.38Š| ||
| 283 | F | 42.8 | Very low | 48.1 | Very low | 179 Ų | 179 | 142.5 Ų | 142.5 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -119.3 | 119.8 | -178.7 | -69.5 | -81.5 | 0 | 0 | 0 | 110.2 | ||||
| 284 | P | 58.5 | Low | 47.9 | Very low | 126 Ų | 126 | 146.5 Ų | 146.5 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -86.1 | 123.5 | 173.5 | 31.7 | -30.8 | 0 | 0 | 0 | 111.7 | ||||
| 285 | I | 48.9 | Very low | 47.8 | Very low | 161 Ų | 161 | 146.8 Ų | 146.8 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | -78.7 | 134.9 | 164.6 | -65.8 | 168.3 | 0 | 0 | 0 | 107.9 | ||||
| 286 | S | 44.6 | Very low | 48.3 | Very low | 99 Ų | 99 | 150.4 Ų | 150.4 | 69% | 0.692 | 82% | 0.815 | S | S | * | * | trans | -118.1 | 131.6 | 174.8 | -157.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 287 | Q | 52.3 | Low | 48.4 | Very low | 170 Ų | 170 | 152.1 Ų | 152.1 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | -109.3 | 134.7 | 177.2 | -61.5 | 174.4 | -14.5 | 0 | 0 | 108.2 | ||||
| 288 | F | 43.2 | Very low | 48.6 | Very low | 180 Ų | 180 | 148.8 Ų | 148.8 | 79% | 0.789 | 80% | 0.802 | S | S | * | * | trans | -139.3 | 129.9 | 166 | -92.4 | -80.1 | 0 | 0 | 0 | 111.8 | ||||
| 289 | T | 48.6 | Very low | 49 | Very low | 126 Ų | 126 | 152.1 Ų | 152.1 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -120.2 | 117.6 | 179.4 | 45.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 290 | H | 49.2 | Very low | 49.8 | Very low | 168 Ų | 168 | 153 Ų | 153 | 78% | 0.778 | 81% | 0.808 | S | S | * | * | trans | -144.4 | 144.3 | 163.1 | -72.8 | -57 | 0 | 0 | 0 | 111.6 | ||||
| 291 | P | 56.4 | Low | 50.5 | Low | 122 Ų | 122 | 150.3 Ų | 150.3 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | trans | -89.7 | 150.9 | -178.8 | 36 | -34.1 | 0 | 0 | 0 | 112.3 | ||||
| 292 | M | 50.1 | Low | 50.3 | Low | 178 Ų | 178 | 152.5 Ų | 152.5 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | trans | -107.2 | 128.3 | 171.2 | -94.4 | -75.1 | -174.4 | 0 | 0 | 110.8 | ||||
| 293 | S | 45.8 | Very low | 51.1 | Low | 112 Ų | 112 | 155.3 Ų | 155.3 | 78% | 0.783 | 83% | 0.834 | S | S | * | * | trans | -79.6 | 133 | 173.8 | -57.2 | 0 | 0 | 0 | 0 | 110.8 | I295 | S293-I295 PolarHBondContact O-N 2.93Š| ||
| 294 | F | 53.1 | Low | 51.5 | Low | 210 Ų | 210 | 154.1 Ų | 154.1 | 92% | 0.921 | 84% | 0.836 | S | S | * | * | trans | -76.5 | 122.6 | 177.1 | -63.4 | -88.3 | 0 | 0 | 0 | 111.3 | ||||
| 295 | I | 50.8 | Low | 51.2 | Low | 166 Ų | 166 | 155.6 Ų | 155.6 | 85% | 0.851 | 84% | 0.837 | S | S | * | * | trans | -117.2 | 119.4 | 160.2 | -65.1 | -173.3 | 0 | 0 | 0 | 109.2 | S293 | S293-I295 PolarHBondContact O-N 2.93Š| ||
| 296 | R | 60.3 | Low | 51.3 | Low | 216 Ų | 216 | 155.3 Ų | 155.3 | 82% | 0.815 | 84% | 0.838 | S | S | * | * | trans | -92.4 | 129.3 | 179.5 | 171.1 | -171.1 | 177.6 | -147.3 | 0.6 | 109.2 | ||||
| 297 | S | 43.3 | Very low | 51.7 | Low | 111 Ų | 111 | 158.6 Ų | 158.6 | 78% | 0.776 | 85% | 0.847 | S | S | * | * | trans | -138.4 | 101 | 165.2 | -151.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 298 | Q | 50.8 | Low | 51.6 | Low | 145 Ų | 145 | 157.9 Ų | 157.9 | 68% | 0.678 | 85% | 0.85 | S | S | * | * | 69 | 109.8 | 88.2 | -66.1 | -71.8 | 71.9 | 0 | 0 | 112.3 | |||||
| 299 | M | 54.5 | Low | 52.2 | Low | 186 Ų | 186 | 156.4 Ų | 156.4 | 92% | 0.916 | 85% | 0.854 | S | S | * | * | trans | -85.7 | 139.1 | 177.2 | -62.4 | 177.4 | 65.8 | 0 | 0 | 110.3 | ||||
| 300 | T | 55.2 | Low | 52.5 | Low | 142 Ų | 142 | 158.6 Ų | 158.6 | 87% | 0.871 | 86% | 0.86 | S | S | * | * | trans | -131.7 | 121.9 | 159.5 | 50.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 301 | G | 61.6 | Low | 52.7 | Low | 74 Ų | 74 | 157.8 Ų | 157.8 | 76% | 0.763 | 87% | 0.866 | S | S | * | * | trans | -88.2 | 173.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 302 | L | 46.8 | Very low | 52.4 | Low | 180 Ų | 180 | 160.8 Ų | 160.8 | 94% | 0.942 | 87% | 0.872 | S | S | * | * | trans | -137.5 | 154.1 | 168 | -99.7 | 166.2 | 0 | 0 | 0 | 110.5 | ||||
| 303 | V | 56.8 | Low | 52.6 | Low | 210 Ų | 210 | 159.3 Ų | 159.3 | 100% | 1.273 | 87% | 0.872 | S | S | * | * | trans | -77.9 | 0 | -173.9 | 170.4 | 0 | 0 | 0 | 0 | 111.6 |
Retrieved 303 of 303 residues in 41.1 ms
(Link to these results)