| 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 | 47.4 | Very low | 46 | Very low | 241 Ų | 241 | 157.2 Ų | 157.2 | 100% | 1.187 | 84% | 0.84 | S | S | * | * | 0 | 115.9 | 0 | -74.7 | 177.7 | -170.2 | 0 | 0 | 108.3 | |||||
| 2 | M | 43.4 | Very low | 46.6 | Very low | 194 Ų | 194 | 161.5 Ų | 161.5 | 96% | 0.956 | 84% | 0.836 | S | S | * | * | trans | -152.7 | 131 | 144.3 | -77.1 | -145.2 | -170 | 0 | 0 | 106.8 | ||||
| 3 | A | 42.2 | Very low | 46.1 | Very low | 92 Ų | 92 | 159.5 Ų | 159.5 | 76% | 0.76 | 83% | 0.828 | S | S | * | * | trans | -81.8 | 136.7 | -166.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 4 | N | 42.2 | Very low | 46.2 | Very low | 166 Ų | 166 | 157.4 Ų | 157.4 | 89% | 0.888 | 83% | 0.831 | S | S | * | * | trans | -81.3 | 114.8 | 171.2 | -67.4 | -50.2 | 0 | 0 | 0 | 109.4 | L6 | N4-L6 PolarHBondContact O-N 3.37Š| ||
| 5 | H | 48.7 | Very low | 46.7 | Very low | 180 Ų | 180 | 159.2 Ų | 159.2 | 83% | 0.833 | 83% | 0.829 | S | S | * | * | trans | -86 | 107.5 | 166.8 | -96.3 | -77.7 | 0 | 0 | 0 | 110 | V7 | H5-V7 PolarHBondContact O-N 2.9Š| ||
| 6 | L | 48.2 | Very low | 47.2 | Very low | 156 Ų | 156 | 164.8 Ų | 164.8 | 82% | 0.817 | 84% | 0.836 | S | S | * | * | trans | -72.2 | 110.7 | 169.9 | 179.9 | 70.8 | 0 | 0 | 0 | 109.5 | N4 | N4-L6 PolarHBondContact O-N 3.37Š| ||
| 7 | V | 50.6 | Low | 47.3 | Very low | 131 Ų | 131 | 162.8 Ų | 162.8 | 79% | 0.794 | 84% | 0.837 | S | S | * | * | trans | -97.3 | 116 | 170.3 | 178.3 | 0 | 0 | 0 | 0 | 108.7 | H5 | H5-V7 PolarHBondContact O-N 2.9Š| ||
| 8 | K | 46.7 | Very low | 47.4 | Very low | 179 Ų | 179 | 166.2 Ų | 166.2 | 78% | 0.778 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -74 | 145.7 | 171.1 | -83.3 | 179.5 | 173 | 178.1 | 0 | 110.5 | ||
| 9 | P | 44.5 | Very low | 47.2 | Very low | 128 Ų | 128 | 165.9 Ų | 165.9 | 83% | 0.831 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 132.3 | 170.3 | 30.9 | -30.2 | 0 | 0 | 0 | 111.4 | ||
| 10 | D | 41.9 | Very low | 47.3 | Very low | 125 Ų | 125 | 166.2 Ų | 166.2 | 67% | 0.668 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 123.3 | 174.7 | -167.3 | 10 | 0 | 0 | 0 | 110.1 | R12 | D10-R12 IonicContact OD2-NE 2.7Å; D10-R12 PolarHBondContact OD2-NE 2.75Å |
| 11 | N | 50.1 | Low | 46.8 | Very low | 137 Ų | 137 | 167.1 Ų | 167.1 | 73% | 0.733 | 84% | 0.837 | S | S | * | * | trans | -89.6 | 105.7 | 177.6 | 173 | 2 | 0 | 0 | 0 | 108.7 | ||||
| 12 | R | 53.8 | Low | 46.5 | Very low | 209 Ų | 209 | 160.8 Ų | 160.8 | 79% | 0.789 | 82% | 0.817 | S | S | * | * | trans | -122.6 | 98.7 | 173.7 | -69.5 | -175.5 | 159.9 | -149.8 | -12.6 | 111.1 | D10 | D10-R12 IonicContact OD2-NE 2.7Å; D10-R12 PolarHBondContact OD2-NE 2.75Å | ||
| 13 | N | 39.3 | Very low | 46.3 | Very low | 136 Ų | 136 | 157.5 Ų | 157.5 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -33.3 | 127.7 | 166.2 | -98.5 | -36.6 | 0 | 0 | 0 | 114.8 | ||||
| 14 | C | 47.8 | Very low | 46.5 | Very low | 130 Ų | 130 | 158.7 Ų | 158.7 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | trans | -77.8 | 115.1 | 161.4 | -56 | 0 | 0 | 0 | 0 | 110 | ||||
| 15 | K | 53.5 | Low | 46.7 | Very low | 184 Ų | 184 | 156.5 Ų | 156.5 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | -126.4 | 114.4 | 161.8 | -71.9 | -167.9 | 176.6 | -175.8 | 0 | 109.6 | ||||
| 16 | R | 55 | Low | 46.1 | Very low | 248 Ų | 248 | 155 Ų | 155 | 94% | 0.936 | 80% | 0.801 | S | S | * | * | trans | -76.9 | 140.3 | 165.8 | -67.9 | -175.8 | -160.2 | 109.7 | 3.1 | 109.4 | ||||
| 17 | P | 49 | Very low | 45.9 | Very low | 131 Ų | 131 | 152.6 Ų | 152.6 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | -94.5 | 140 | 157.5 | -3.9 | 23.9 | 0 | 0 | 0 | 110.9 | ||||
| 18 | R | 48.9 | Very low | 45.6 | Very low | 225 Ų | 225 | 152.4 Ų | 152.4 | 85% | 0.849 | 80% | 0.798 | S | S | * | * | trans | -113 | 148.6 | 174.6 | -155 | -165.4 | -161.3 | 163.8 | 4.3 | 108.8 | ||||
| 19 | E | 43.9 | Very low | 45.1 | Very low | 161 Ų | 161 | 152.3 Ų | 152.3 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | 85.2 | 120.6 | 158.5 | -51.4 | -159.4 | 167.3 | 0 | 0 | 119.5 | ||||
| 20 | L | 48.9 | Very low | 45.2 | Very low | 171 Ų | 171 | 155.1 Ų | 155.1 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | -173.2 | 132.9 | 101.9 | -161.5 | 67.3 | 0 | 0 | 0 | 110.6 | |||||
| 21 | E | 37.9 | Very low | 45.2 | Very low | 185 Ų | 185 | 154.5 Ų | 154.5 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | trans | -87.9 | 148.5 | 178.2 | -77.8 | -174.2 | 140.9 | 0 | 0 | 114.3 | ||||
| 22 | S | 40.5 | Very low | 44.8 | Very low | 109 Ų | 109 | 153.4 Ų | 153.4 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | trans | 61.8 | 144.5 | 148.4 | -124.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 23 | P | 39.6 | Very low | 44.7 | Very low | 124 Ų | 124 | 151.4 Ų | 151.4 | 81% | 0.805 | 82% | 0.821 | S | S | * | * | cis | -137.9 | 165.5 | 44.1 | 34.9 | -12.5 | 0 | 0 | 0 | 118.6 | ||||
| 24 | V | 45.3 | Very low | 44.6 | Very low | 118 Ų | 118 | 148 Ų | 148 | 72% | 0.715 | 82% | 0.817 | S | S | * | * | trans | -54.7 | 152.8 | 177.9 | -179.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 25 | P | 46.6 | Very low | 44.6 | Very low | 119 Ų | 119 | 150.2 Ų | 150.2 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | -130.7 | 156.8 | 134.1 | 36.6 | -24.5 | 0 | 0 | 0 | 114.1 | ||||
| 26 | D | 35.3 | Very low | 44.3 | Very low | 149 Ų | 149 | 146.8 Ų | 146.8 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -58.8 | 158.2 | -160 | -64 | -61.9 | 0 | 0 | 0 | 119.2 | ||||
| 27 | S | 44.8 | Very low | 44.1 | Very low | 106 Ų | 106 | 142.6 Ų | 142.6 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | -51.6 | 155.2 | 171 | 69.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 28 | P | 45 | Very low | 44.2 | Very low | 126 Ų | 126 | 141.3 Ų | 141.3 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -120 | 108.3 | 142.1 | 6.8 | 14.8 | 0 | 0 | 0 | 112 | ||||
| 29 | Q | 35.5 | Very low | 44.2 | Very low | 178 Ų | 178 | 135.2 Ų | 135.2 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | 21.5 | 119.7 | 146.5 | -57.8 | -163.8 | -8.6 | 0 | 0 | 120.4 | S31 | Q29-S31 PolarHBondContact O-N 2.68Š| ||
| 30 | L | 46.3 | Very low | 44.5 | Very low | 186 Ų | 186 | 137 Ų | 137 | 97% | 0.974 | 80% | 0.798 | S | S | * | * | trans | -65 | 117 | 157.9 | -68.9 | 164.5 | 0 | 0 | 0 | 110.8 | ||||
| 31 | S | 41.3 | Very low | 44.9 | Very low | 113 Ų | 113 | 133.4 Ų | 133.4 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -148.4 | 140.8 | 155.5 | 66.3 | 0 | 0 | 0 | 0 | 106 | Q29 | Q29-S31 PolarHBondContact O-N 2.68Š| ||
| 32 | S | 41.7 | Very low | 45.6 | Very low | 114 Ų | 114 | 133 Ų | 133 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | cis | -150 | 151.2 | 25 | 54.5 | 0 | 0 | 0 | 0 | 111 | G34 | S32-G34 PolarHBondContact O-N 3.36Š| ||
| 33 | L | 52.7 | Low | 46.2 | Very low | 167 Ų | 167 | 130.6 Ų | 130.6 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | -54.3 | 110.3 | 164 | 175.7 | 67.6 | 0 | 0 | 0 | 110.6 | ||||
| 34 | G | 36.3 | Very low | 46.9 | Very low | 63 Ų | 63 | 129.6 Ų | 129.6 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | trans | -125.8 | 103.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | S32 S36 | S32-G34 PolarHBondContact O-N 3.36Å; G34-S36 PolarHBondContact O-N 3.41Å | ||
| 35 | K | 49.5 | Very low | 47.3 | Very low | 178 Ų | 178 | 126.4 Ų | 126.4 | 77% | 0.774 | 76% | 0.756 | S | S | * | * | trans | -59.5 | 124.3 | 171.8 | -66.9 | 178.5 | 176.8 | -178.1 | 0 | 108.7 | ||||
| 36 | S | 45.3 | Very low | 47.7 | Very low | 111 Ų | 111 | 126.3 Ų | 126.3 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | trans | -122.3 | 86.2 | 160 | -65.2 | 0 | 0 | 0 | 0 | 107.3 | G34 S38 | G34-S36 PolarHBondContact O-N 3.41Å; S36-S38 PolarHBondContact O-N 2.78Å | ||
| 37 | D | 52 | Low | 48.6 | Very low | 161 Ų | 161 | 126.2 Ų | 126.2 | 86% | 0.861 | 74% | 0.741 | S | S | * | * | trans | -68.2 | 78.9 | 155.1 | -69.1 | -44 | 0 | 0 | 0 | 106.8 | ||||
| 38 | S | 51.4 | Low | 49.3 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | trans | -98.3 | 94.2 | 168.6 | 168.1 | 0 | 0 | 0 | 0 | 106.5 | S36 F40 | S36-S38 PolarHBondContact O-N 2.78Å; S38-F40 PolarHBondContact O-N 3.49Å | ||
| 39 | S | 48.1 | Very low | 50.2 | Low | 97 Ų | 97 | 131.1 Ų | 131.1 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | trans | -23.1 | 121.5 | 170.3 | 51 | 0 | 0 | 0 | 0 | 113.9 | S41 | S39-S41 VanDerWaalsContact C-N 3.28Å; S39-S41 PolarHBondContact O-N 3.33Å | ||
| 40 | F | 50.2 | Low | 52.4 | Low | 198 Ų | 198 | 127.2 Ų | 127.2 | 87% | 0.868 | 72% | 0.717 | S | S | * | * | trans | -55.4 | 90.4 | 162.4 | -152.3 | -94.1 | 0 | 0 | 0 | 108.7 | S38 | S38-F40 PolarHBondContact O-N 3.49Š| ||
| 41 | S | 57.1 | Low | 54.1 | Low | 96 Ų | 96 | 124.7 Ų | 124.7 | 67% | 0.671 | 70% | 0.701 | S | S | * | * | trans | -149 | 67.8 | -179.6 | 179.9 | 0 | 0 | 0 | 0 | 110 | S39 | S39-S41 VanDerWaalsContact C-N 3.28Å; S39-S41 PolarHBondContact O-N 3.33Å | ||
| 42 | E | 52.1 | Low | 56.5 | Low | 177 Ų | 177 | 121.6 Ų | 121.6 | 83% | 0.827 | 68% | 0.682 | S | S | * | * | trans | -174.2 | 44.8 | 154.4 | -111.5 | 177.8 | -167.4 | 0 | 0 | 111.7 | S44 | E42-S44 PolarHBondContact O-N 2.99Š| ||
| 43 | S | 53.4 | Low | 59 | Low | 59 Ų | 59 | 121.4 Ų | 121.4 | 41% | 0.413 | 67% | 0.671 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.6 | -6.8 | 177.4 | 60.7 | 0 | 0 | 0 | 0 | 113.8 | F47 | S43-F47 VanDerWaalsContact O-CD2 3.27Å; S43-F47 WeakPolarHBondContact O-CD2 3.41Å |
| 44 | S | 55 | Low | 60.9 | Low | 103 Ų | 103 | 119.8 Ų | 119.8 | 72% | 0.72 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -20.9 | -178.1 | -63.2 | 0 | 0 | 0 | 0 | 114.3 | E42 | E42-S44 PolarHBondContact O-N 2.99Š|
| 45 | G | 53 | Low | 63.7 | Low | 50 Ų | 50 | 122.9 Ų | 122.9 | 52% | 0.515 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94 | -11.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 46 | L | 54.9 | Low | 65.9 | Low | 117 Ų | 117 | 118.8 Ų | 118.8 | 61% | 0.613 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -78.3 | -38.3 | -175.3 | -158.6 | 159 | 0 | 0 | 0 | 111.6 | Y48 K49 D50 | L46-Y48 PolarHBondContact O-N 3.13Å; L46-K49 PolarHBondContact O-N 3.38Å; L46-D50 PolarHBondContact O-N 2.96Å; L46-D50 VanDerWaalsContact O-N 3.1Å |
| 47 | F | 54.6 | Low | 68.3 | Low | 147 Ų | 147 | 119.7 Ų | 119.7 | 65% | 0.645 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -62.7 | -36.9 | 179.2 | -73.7 | -77.6 | 0 | 0 | 0 | 113.8 | S43 K49 D50 E51 | S43-F47 VanDerWaalsContact O-CD2 3.27Å; S43-F47 WeakPolarHBondContact O-CD2 3.41Å; F47-K49 VanDerWaalsContact C-N 3.33Å; F47-K49 PolarHBondContact O-N 3.49Å; F47-D50 PolarHBondContact O-N 2.96Å; F47-E51 PolarHBondContact O-N 3.37Å; F47-E51 VanDerWaalsContact O-N 3.08Å |
| 48 | Y | 59.8 | Low | 70.5 | Confident | 178 Ų | 178 | 115.9 Ų | 115.9 | 70% | 0.698 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.2 | -31.2 | 176.2 | -80.9 | -76 | 0 | 0 | 0 | 113.1 | L46 A52 | L46-Y48 PolarHBondContact O-N 3.13Å; Y48-A52 WeakPolarHBondContact O-CB 3.37Å; Y48-A52 PolarHBondContact O-N 3.43Å |
| 49 | K | 64.1 | Low | 72.7 | Confident | 158 Ų | 158 | 113.6 Ų | 113.6 | 69% | 0.687 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -72.9 | -35.5 | 173.9 | -96.4 | -172.1 | 171.4 | -177.7 | 0 | 111.8 | L46 F47 L53 | L46-K49 PolarHBondContact O-N 3.38Å; F47-K49 VanDerWaalsContact C-N 3.33Å; F47-K49 PolarHBondContact O-N 3.49Å; K49-L53 WeakPolarHBondContact O-CB 3.43Å; K49-L53 VanDerWaalsContact O-CG 3.22Å; K49-L53 WeakPolarHBondContact O-CG 3.5Å; K49-L53 PolarHBondContact O-N 3.23Å |
| 50 | D | 80.9 | Confident | 75.1 | Confident | 96 Ų | 96 | 112.6 Ų | 112.6 | 51% | 0.513 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67 | -46.1 | 178.6 | -159.6 | 41.9 | 0 | 0 | 0 | 111.3 | L46 F47 A52 L53 E54 | L46-D50 PolarHBondContact O-N 2.96Å; L46-D50 VanDerWaalsContact O-N 3.1Å; F47-D50 PolarHBondContact O-N 2.96Å; D50-A52 PolarHBondContact O-N 3.15Å; D50-L53 PolarHBondContact O-N 3Å; D50-E54 WeakPolarHBondContact O-CB 3.37Å; D50-E54 PolarHBondContact O-N 2.96Å |
| 51 | E | 83.1 | Confident | 77.4 | Confident | 133 Ų | 133 | 105.7 Ų | 105.7 | 62% | 0.621 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.9 | -37.8 | 176.7 | -170 | 175.6 | -161.9 | 0 | 0 | 112.5 | F47 K55 | F47-E51 PolarHBondContact O-N 3.37Å; F47-E51 VanDerWaalsContact O-N 3.08Å; E51-K55 WeakPolarHBondContact O-CB 3.5Å; E51-K55 PolarHBondContact O-N 3Å |
| 52 | A | 90.8 | Very high | 79.3 | Confident | 48 Ų | 48 | 106.2 Ų | 106.2 | 40% | 0.397 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.3 | -42.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y48 D50 K55 D56 | Y48-A52 WeakPolarHBondContact O-CB 3.37Å; Y48-A52 PolarHBondContact O-N 3.43Å; D50-A52 PolarHBondContact O-N 3.15Å; A52-K55 PolarHBondContact O-N 3.01Å; A52-D56 PolarHBondContact O-N 3.47Å |
| 53 | L | 93.8 | Very high | 81.6 | Confident | 110 Ų | 110 | 104 Ų | 104 | 58% | 0.576 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.7 | -36.8 | 177 | -72.3 | 172.7 | 0 | 0 | 0 | 112.3 | K49 D50 K55 D56 L57 | K49-L53 WeakPolarHBondContact O-CB 3.43Å; K49-L53 VanDerWaalsContact O-CG 3.22Å; K49-L53 WeakPolarHBondContact O-CG 3.5Å; K49-L53 PolarHBondContact O-N 3.23Å; D50-L53 PolarHBondContact O-N 3Å; L53-K55 VanDerWaalsContact C-N 3.33Å; L53-D56 PolarHBondContact O-N 3.47Å; L53-L57 WeakPolarHBondContact O-CB 3.45Å; L53-L57 PolarHBondContact O-N 2.88Å |
| 54 | E | 93.3 | Very high | 83.7 | Confident | 133 Ų | 133 | 105.1 Ų | 105.1 | 62% | 0.621 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.8 | -40.7 | 174 | -174.1 | 176.7 | -170.5 | 0 | 0 | 111.1 | D50 L57 N58 | D50-E54 WeakPolarHBondContact O-CB 3.37Å; D50-E54 PolarHBondContact O-N 2.96Å; E54-L57 PolarHBondContact O-N 3.25Å; E54-N58 WeakPolarHBondContact O-CB 3.49Å; E54-N58 PolarHBondContact O-N 3.45Å |
| 55 | K | 95.1 | Very high | 85.8 | Confident | 128 Ų | 128 | 104.8 Ų | 104.8 | 56% | 0.557 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.3 | -48.9 | 172.9 | -174.9 | -165.1 | 167.6 | -153.3 | 0 | 111.5 | E51 A52 L53 L57 N58 D59 | E51-K55 WeakPolarHBondContact O-CB 3.5Å; E51-K55 PolarHBondContact O-N 3Å; A52-K55 PolarHBondContact O-N 3.01Å; L53-K55 VanDerWaalsContact C-N 3.33Å; K55-L57 VanDerWaalsContact C-N 3.3Å; K55-L57 PolarHBondContact O-N 3.35Å; K55-N58 WeakPolarHBondContact O-CB 3.37Å; K55-N58 PolarHBondContact O-N 3.19Å; K55-N58 VanDerWaalsContact O-N 3.16Å; K55-D59 PolarHBondContact O-N 2.97Å |
| 56 | D | 95.5 | Very high | 88 | Confident | 91 Ų | 91 | 107.7 Ų | 107.7 | 49% | 0.487 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.3 | -41.1 | 178.3 | -72.2 | -12.2 | 0 | 0 | 0 | 111 | A52 L53 D59 V60 | A52-D56 PolarHBondContact O-N 3.47Å; L53-D56 PolarHBondContact O-N 3.47Å; D56-D59 PolarHBondContact O-N 3Å; D56-V60 WeakPolarHBondContact O-CB 3.23Å; D56-V60 VanDerWaalsContact O-CG2 3.27Å; D56-V60 WeakPolarHBondContact O-CG2 3.45Å; D56-V60 PolarHBondContact O-N 3.36Å |
| 57 | L | 96.8 | Very high | 90 | Very high | 130 Ų | 130 | 108.5 Ų | 108.5 | 68% | 0.681 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.2 | -44.7 | 174.4 | -172.7 | 99.2 | 0 | 0 | 0 | 111.7 | L53 E54 K55 S61 | L53-L57 WeakPolarHBondContact O-CB 3.45Å; L53-L57 PolarHBondContact O-N 2.88Å; E54-L57 PolarHBondContact O-N 3.25Å; K55-L57 VanDerWaalsContact C-N 3.3Å; K55-L57 PolarHBondContact O-N 3.35Å; L57-S61 VanDerWaalsContact O-CB 3.28Å; L57-S61 WeakPolarHBondContact O-CB 3.42Å; L57-S61 PolarHBondContact O-N 3.26Å |
| 58 | N | 97.3 | Very high | 92.1 | Very high | 81 Ų | 81 | 106.5 Ų | 106.5 | 43% | 0.433 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 177.5 | -177.6 | 32.8 | 0 | 0 | 0 | 111.7 | E54 K55 S61 K62 | E54-N58 WeakPolarHBondContact O-CB 3.49Å; E54-N58 PolarHBondContact O-N 3.45Å; K55-N58 WeakPolarHBondContact O-CB 3.37Å; K55-N58 PolarHBondContact O-N 3.19Å; K55-N58 VanDerWaalsContact O-N 3.16Å; N58-S61 WeakPolarHBondContact O-CB 3.36Å; N58-S61 PolarHBondContact O-N 2.97Å; N58-K62 WeakPolarHBondContact ND2-CE 3.37Å; N58-K62 PolarHBondContact ND2-NZ 2.96Å; N58-K62 VanDerWaalsContact ND2-NZ 3.19Å; N58-K62 WeakPolarHBondContact O-CG 3.36Å; N58-K62 PolarHBondContact O-N 3.41Å; N58-K62 WeakPolarHBondContact OD1-CE 3.31Å |
| 59 | D | 97.9 | Very high | 94 | Very high | 55 Ų | 55 | 101.2 Ų | 101.2 | 29% | 0.294 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.1 | -43.7 | 178.7 | -70.7 | -18.3 | 0 | 0 | 0 | 111 | K55 D56 S61 K62 E63 | K55-D59 PolarHBondContact O-N 2.97Å; D56-D59 PolarHBondContact O-N 3Å; D59-S61 VanDerWaalsContact C-N 3.32Å; D59-S61 PolarHBondContact O-N 3.02Å; D59-K62 WeakPolarHBondContact O-CB 3.4Å; D59-K62 PolarHBondContact O-N 3.08Å; D59-K62 IonicContact OD1-NZ 3.18Å; D59-K62 PolarHBondContact OD1-NZ 3.03Å; D59-E63 PolarHBondContact O-N 3.37Å |
| 60 | V | 98.2 | Very high | 95.6 | Very high | 76 Ų | 76 | 97.5 Ų | 97.5 | 46% | 0.461 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 171.2 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | D56 K62 E63 I64 | D56-V60 WeakPolarHBondContact O-CB 3.23Å; D56-V60 VanDerWaalsContact O-CG2 3.27Å; D56-V60 WeakPolarHBondContact O-CG2 3.45Å; D56-V60 PolarHBondContact O-N 3.36Å; V60-K62 VanDerWaalsContact C-N 3.34Å; V60-K62 PolarHBondContact O-N 3.48Å; V60-E63 PolarHBondContact O-N 3.33Å; V60-I64 HydrophobicContact CG1-CD1 3.8Å; V60-I64 HydrophobicContact CG1-CG1 4.31Å; V60-I64 VanDerWaalsContact O-CG1 3.3Å; V60-I64 WeakPolarHBondContact O-CG1 3.3Å; V60-I64 PolarHBondContact O-N 3.44Å |
| 61 | S | 98.3 | Very high | 96.5 | Very high | 54 Ų | 54 | 99.7 Ų | 99.7 | 38% | 0.378 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 176.2 | -173.5 | 0 | 0 | 0 | 0 | 111.9 | L57 N58 D59 I64 N65 | L57-S61 VanDerWaalsContact O-CB 3.28Å; L57-S61 WeakPolarHBondContact O-CB 3.42Å; L57-S61 PolarHBondContact O-N 3.26Å; N58-S61 WeakPolarHBondContact O-CB 3.36Å; N58-S61 PolarHBondContact O-N 2.97Å; D59-S61 VanDerWaalsContact C-N 3.32Å; D59-S61 PolarHBondContact O-N 3.02Å; S61-I64 PolarHBondContact O-N 3.28Å; S61-N65 WeakPolarHBondContact O-CB 3.37Å; S61-N65 VanDerWaalsContact O-CG 3.32Å; S61-N65 PolarHBondContact O-N 2.79Å; S61-N65 PolarHBondContact O-ND2 2.92Å |
| 62 | K | 98.4 | Very high | 97.2 | Very high | 106 Ų | 106 | 95.8 Ų | 95.8 | 46% | 0.461 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 174.2 | -68.3 | 168.3 | -158.8 | 152.2 | 0 | 111.5 | N58 D59 V60 N65 L66 | N58-K62 WeakPolarHBondContact ND2-CE 3.37Å; N58-K62 PolarHBondContact ND2-NZ 2.96Å; N58-K62 VanDerWaalsContact ND2-NZ 3.19Å; N58-K62 WeakPolarHBondContact O-CG 3.36Å; N58-K62 PolarHBondContact O-N 3.41Å; N58-K62 WeakPolarHBondContact OD1-CE 3.31Å; D59-K62 WeakPolarHBondContact O-CB 3.4Å; D59-K62 PolarHBondContact O-N 3.08Å; D59-K62 IonicContact OD1-NZ 3.18Å; D59-K62 PolarHBondContact OD1-NZ 3.03Å; V60-K62 VanDerWaalsContact C-N 3.34Å; V60-K62 PolarHBondContact O-N 3.48Å; K62-N65 PolarHBondContact O-N 2.88Å; K62-L66 WeakPolarHBondContact O-CB 3.36Å; K62-L66 PolarHBondContact O-N 3.37Å |
| 63 | E | 98.4 | Very high | 97.6 | Very high | 130 Ų | 130 | 99.7 Ų | 99.7 | 61% | 0.607 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.3 | -42.1 | 177.3 | -73.1 | -175.7 | -169 | 0 | 0 | 112.1 | D59 V60 L66 M67 | D59-E63 PolarHBondContact O-N 3.37Å; V60-E63 PolarHBondContact O-N 3.33Å; E63-L66 PolarHBondContact O-N 2.91Å; E63-M67 WeakPolarHBondContact O-CB 3.45Å; E63-M67 PolarHBondContact O-N 3.43Å |
| 64 | I | 98.6 | Very high | 97.9 | Very high | 84 Ų | 84 | 99.1 Ų | 99.1 | 43% | 0.431 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.5 | -48.1 | 174.6 | -70.3 | 168 | 0 | 0 | 0 | 110.1 | V60 S61 L66 M67 L68 | V60-I64 HydrophobicContact CG1-CD1 3.8Å; V60-I64 HydrophobicContact CG1-CG1 4.31Å; V60-I64 VanDerWaalsContact O-CG1 3.3Å; V60-I64 WeakPolarHBondContact O-CG1 3.3Å; V60-I64 PolarHBondContact O-N 3.44Å; S61-I64 PolarHBondContact O-N 3.28Å; I64-L66 VanDerWaalsContact C-N 3.32Å; I64-L66 PolarHBondContact O-N 3.49Å; I64-M67 PolarHBondContact O-N 3.45Å; I64-L68 HydrophobicContact CG2-CD1 3.83Å; I64-L68 HydrophobicContact CG2-CG 4.28Å; I64-L68 WeakPolarHBondContact O-CB 3.5Å; I64-L68 VanDerWaalsContact O-CG 3.28Å; I64-L68 WeakPolarHBondContact O-CG 3.26Å; I64-L68 PolarHBondContact O-N 2.9Å |
| 65 | N | 98.6 | Very high | 98.1 | Very high | 95 Ų | 95 | 96.7 Ų | 96.7 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -39 | 178.6 | -74.4 | -37.6 | 0 | 0 | 0 | 112.2 | S61 K62 S69 | S61-N65 WeakPolarHBondContact O-CB 3.37Å; S61-N65 VanDerWaalsContact O-CG 3.32Å; S61-N65 PolarHBondContact O-N 2.79Å; S61-N65 PolarHBondContact O-ND2 2.92Å; K62-N65 PolarHBondContact O-N 2.88Å; N65-S69 WeakPolarHBondContact O-CB 3.45Å; N65-S69 PolarHBondContact O-N 3.27Å; N65-S69 PolarHBondContact O-OG 3.37Å |
| 66 | L | 98.7 | Very high | 98.3 | Very high | 112 Ų | 112 | 94.5 Ų | 94.5 | 59% | 0.586 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.8 | -44.6 | 174.7 | 179.8 | 61.7 | 0 | 0 | 0 | 111.2 | K62 E63 I64 S69 T70 | K62-L66 WeakPolarHBondContact O-CB 3.36Å; K62-L66 PolarHBondContact O-N 3.37Å; E63-L66 PolarHBondContact O-N 2.91Å; I64-L66 VanDerWaalsContact C-N 3.32Å; I64-L66 PolarHBondContact O-N 3.49Å; L66-S69 WeakPolarHBondContact CA-OG 3.32Å; L66-S69 PolarHBondContact O-OG 2.99Å; L66-T70 VanDerWaalsContact O-CB 3.24Å; L66-T70 WeakPolarHBondContact O-CB 3.35Å; L66-T70 PolarHBondContact O-N 2.82Å; L66-T70 PolarHBondContact O-OG1 3.04Å |
| 67 | M | 98.8 | Very high | 98.5 | Very high | 133 Ų | 133 | 94.4 Ų | 94.4 | 66% | 0.655 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.7 | -47.1 | 177.9 | -170.6 | -169.8 | -51.7 | 0 | 0 | 111.3 | E63 I64 T70 Y71 | E63-M67 WeakPolarHBondContact O-CB 3.45Å; E63-M67 PolarHBondContact O-N 3.43Å; I64-M67 PolarHBondContact O-N 3.45Å; M67-T70 PolarHBondContact O-N 3.5Å; M67-Y71 WeakPolarHBondContact O-CB 3.09Å; M67-Y71 PolarHBondContact O-N 3.04Å |
| 68 | L | 98.8 | Very high | 98.6 | Very high | 105 Ų | 105 | 96 Ų | 96 | 55% | 0.55 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 179.5 | -70.2 | 175.3 | 0 | 0 | 0 | 111.8 | I64 Y71 A72 | I64-L68 HydrophobicContact CG2-CD1 3.83Å; I64-L68 HydrophobicContact CG2-CG 4.28Å; I64-L68 WeakPolarHBondContact O-CB 3.5Å; I64-L68 VanDerWaalsContact O-CG 3.28Å; I64-L68 WeakPolarHBondContact O-CG 3.26Å; I64-L68 PolarHBondContact O-N 2.9Å; L68-Y71 PolarHBondContact O-N 3.36Å; L68-A72 WeakPolarHBondContact O-CB 3.36Å; L68-A72 PolarHBondContact O-N 3.43Å |
| 69 | S | 98.8 | Very high | 98.6 | Very high | 67 Ų | 67 | 95 Ų | 95 | 47% | 0.469 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 177.9 | 56.3 | 0 | 0 | 0 | 0 | 112.2 | N65 L66 A72 K73 | N65-S69 WeakPolarHBondContact O-CB 3.45Å; N65-S69 PolarHBondContact O-N 3.27Å; N65-S69 PolarHBondContact O-OG 3.37Å; L66-S69 WeakPolarHBondContact CA-OG 3.32Å; L66-S69 PolarHBondContact O-OG 2.99Å; S69-A72 PolarHBondContact O-N 2.98Å; S69-K73 WeakPolarHBondContact O-CB 3.42Å; S69-K73 PolarHBondContact O-N 3.37Å |
| 70 | T | 98.8 | Very high | 98.7 | Very high | 80 Ų | 80 | 95.3 Ų | 95.3 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 174.9 | -58.5 | 0 | 0 | 0 | 0 | 111 | L66 M67 K73 L74 | L66-T70 VanDerWaalsContact O-CB 3.24Å; L66-T70 WeakPolarHBondContact O-CB 3.35Å; L66-T70 PolarHBondContact O-N 2.82Å; L66-T70 PolarHBondContact O-OG1 3.04Å; M67-T70 PolarHBondContact O-N 3.5Å; T70-K73 WeakPolarHBondContact O-CB 3.4Å; T70-K73 PolarHBondContact O-N 3.29Å; T70-L74 PolarHBondContact O-N 3Å |
| 71 | Y | 98.8 | Very high | 98.7 | Very high | 142 Ų | 142 | 95.1 Ų | 95.1 | 56% | 0.557 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68 | -40.5 | 178.6 | -169.4 | -107.7 | 0 | 0 | 0 | 112.3 | M67 L68 K73 L74 L75 | M67-Y71 WeakPolarHBondContact O-CB 3.09Å; M67-Y71 PolarHBondContact O-N 3.04Å; L68-Y71 PolarHBondContact O-N 3.36Å; Y71-K73 VanDerWaalsContact C-N 3.29Å; Y71-K73 PolarHBondContact O-N 2.9Å; Y71-L74 HydrophobicContact CD2-CD2 4.25Å; Y71-L74 HydrophobicContact CE2-CD2 4.39Å; Y71-L74 WeakPolarHBondContact O-CB 3.31Å; Y71-L74 PolarHBondContact O-N 3.49Å; Y71-L75 HydrophobicContact CD1-CD1 3.87Å; Y71-L75 HydrophobicContact CD1-CG 4.18Å; Y71-L75 HydrophobicContact CE1-CD1 3.55Å; Y71-L75 HydrophobicContact CE1-CD2 4.16Å; Y71-L75 HydrophobicContact CE1-CG 3.88Å; Y71-L75 WeakPolarHBondContact O-CG 3.46Å; Y71-L75 PolarHBondContact O-N 3.47Å |
| 72 | A | 98.8 | Very high | 98.7 | Very high | 52 Ų | 52 | 96.3 Ų | 96.3 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.2 | -39.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | L68 S69 L75 S76 | L68-A72 WeakPolarHBondContact O-CB 3.36Å; L68-A72 PolarHBondContact O-N 3.43Å; S69-A72 PolarHBondContact O-N 2.98Å; A72-L75 PolarHBondContact O-N 2.85Å; A72-S76 PolarHBondContact O-N 2.92Å; A72-S76 VanDerWaalsContact O-N 3.09Å; A72-S76 PolarHBondContact O-OG 3.36Å |
| 73 | K | 98.8 | Very high | 98.7 | Very high | 130 Ų | 130 | 93.5 Ų | 93.5 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.8 | -47.8 | 173.3 | -167.8 | -173.6 | -174.4 | -113.3 | 0 | 111.5 | S69 T70 Y71 L75 S76 E77 | S69-K73 WeakPolarHBondContact O-CB 3.42Å; S69-K73 PolarHBondContact O-N 3.37Å; T70-K73 WeakPolarHBondContact O-CB 3.4Å; T70-K73 PolarHBondContact O-N 3.29Å; Y71-K73 VanDerWaalsContact C-N 3.29Å; Y71-K73 PolarHBondContact O-N 2.9Å; K73-L75 VanDerWaalsContact C-N 3.32Å; K73-L75 PolarHBondContact O-N 3.28Å; K73-S76 WeakPolarHBondContact O-CB 3.46Å; K73-S76 PolarHBondContact O-N 2.61Å; K73-S76 VanDerWaalsContact O-N 3.09Å; K73-E77 WeakPolarHBondContact CE-OE1 3.24Å; K73-E77 IonicContact NZ-OE1 2.86Å; K73-E77 PolarHBondContact NZ-OE1 2.97Å; K73-E77 WeakPolarHBondContact O-CG 3.48Å; K73-E77 PolarHBondContact O-N 3.36Å |
| 74 | L | 98.8 | Very high | 98.8 | Very high | 97 Ų | 97 | 90.7 Ų | 90.7 | 51% | 0.508 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.9 | -43.3 | 178 | -178.6 | 69.8 | 0 | 0 | 0 | 112 | T70 Y71 S76 E77 R78 | T70-L74 PolarHBondContact O-N 3Å; Y71-L74 HydrophobicContact CD2-CD2 4.25Å; Y71-L74 HydrophobicContact CE2-CD2 4.39Å; Y71-L74 WeakPolarHBondContact O-CB 3.31Å; Y71-L74 PolarHBondContact O-N 3.49Å; L74-S76 VanDerWaalsContact C-N 3.31Å; L74-S76 PolarHBondContact O-N 3.03Å; L74-E77 PolarHBondContact O-N 3.49Å; L74-R78 WeakPolarHBondContact O-CB 3.43Å; L74-R78 PolarHBondContact O-N 3.31Å |
| 75 | L | 98.9 | Very high | 98.8 | Very high | 83 Ų | 83 | 93.3 Ų | 93.3 | 44% | 0.435 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63 | -39.3 | 176.1 | -71 | 178 | 0 | 0 | 0 | 112 | Y71 A72 K73 R78 A79 | Y71-L75 HydrophobicContact CD1-CD1 3.87Å; Y71-L75 HydrophobicContact CD1-CG 4.18Å; Y71-L75 HydrophobicContact CE1-CD1 3.55Å; Y71-L75 HydrophobicContact CE1-CD2 4.16Å; Y71-L75 HydrophobicContact CE1-CG 3.88Å; Y71-L75 WeakPolarHBondContact O-CG 3.46Å; Y71-L75 PolarHBondContact O-N 3.47Å; A72-L75 PolarHBondContact O-N 2.85Å; K73-L75 VanDerWaalsContact C-N 3.32Å; K73-L75 PolarHBondContact O-N 3.28Å; L75-R78 PolarHBondContact O-N 2.94Å; L75-A79 PolarHBondContact O-N 3.13Å |
| 76 | S | 98.8 | Very high | 98.8 | Very high | 81 Ų | 81 | 94.3 Ų | 94.3 | 57% | 0.566 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.5 | -44.4 | 177.9 | -56 | 0 | 0 | 0 | 0 | 111.6 | A72 K73 L74 R78 A79 A80 | A72-S76 PolarHBondContact O-N 2.92Å; A72-S76 VanDerWaalsContact O-N 3.09Å; A72-S76 PolarHBondContact O-OG 3.36Å; K73-S76 WeakPolarHBondContact O-CB 3.46Å; K73-S76 PolarHBondContact O-N 2.61Å; K73-S76 VanDerWaalsContact O-N 3.09Å; L74-S76 VanDerWaalsContact C-N 3.31Å; L74-S76 PolarHBondContact O-N 3.03Å; S76-R78 VanDerWaalsContact C-N 3.32Å; S76-R78 PolarHBondContact O-N 2.95Å; S76-A79 PolarHBondContact O-N 3.4Å; S76-A80 PolarHBondContact O-N 2.93Å; S76-A80 VanDerWaalsContact O-N 3.12Å |
| 77 | E | 98.8 | Very high | 98.8 | Very high | 89 Ų | 89 | 93.9 Ų | 93.9 | 42% | 0.416 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 174.7 | -70.7 | 171.4 | -175.4 | 0 | 0 | 110.8 | K73 L74 A79 A80 V81 | K73-E77 WeakPolarHBondContact CE-OE1 3.24Å; K73-E77 IonicContact NZ-OE1 2.86Å; K73-E77 PolarHBondContact NZ-OE1 2.97Å; K73-E77 WeakPolarHBondContact O-CG 3.48Å; K73-E77 PolarHBondContact O-N 3.36Å; L74-E77 PolarHBondContact O-N 3.49Å; E77-A79 PolarHBondContact O-N 2.96Å; E77-A80 PolarHBondContact O-N 3.45Å; E77-V81 WeakPolarHBondContact O-CG2 3.33Å; E77-V81 PolarHBondContact O-N 2.98Å |
| 78 | R | 98.8 | Very high | 98.8 | Very high | 164 Ų | 164 | 92.6 Ų | 92.6 | 62% | 0.619 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.5 | -42.4 | 177.3 | -172.1 | 173.3 | -173.5 | 170.5 | 4.2 | 112.5 | L74 L75 S76 A80 V81 D82 | L74-R78 WeakPolarHBondContact O-CB 3.43Å; L74-R78 PolarHBondContact O-N 3.31Å; L75-R78 PolarHBondContact O-N 2.94Å; S76-R78 VanDerWaalsContact C-N 3.32Å; S76-R78 PolarHBondContact O-N 2.95Å; R78-A80 VanDerWaalsContact C-N 3.3Å; R78-A80 PolarHBondContact O-N 2.89Å; R78-V81 PolarHBondContact O-N 3.41Å; R78-D82 WeakPolarHBondContact O-CB 3.41Å; R78-D82 PolarHBondContact O-N 3.18Å |
| 79 | A | 98.8 | Very high | 98.8 | Very high | 59 Ų | 59 | 91.6 Ų | 91.6 | 49% | 0.488 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.9 | -38.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L75 S76 E77 A83 | L75-A79 PolarHBondContact O-N 3.13Å; S76-A79 PolarHBondContact O-N 3.4Å; E77-A79 PolarHBondContact O-N 2.96Å; A79-A83 WeakPolarHBondContact O-CB 3.29Å; A79-A83 PolarHBondContact O-N 3.31Å |
| 80 | A | 98.8 | Very high | 98.8 | Very high | 63 Ų | 63 | 92 Ų | 92 | 52% | 0.521 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.6 | -41.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S76 E77 R78 A83 S84 | S76-A80 PolarHBondContact O-N 2.93Å; S76-A80 VanDerWaalsContact O-N 3.12Å; E77-A80 PolarHBondContact O-N 3.45Å; R78-A80 VanDerWaalsContact C-N 3.3Å; R78-A80 PolarHBondContact O-N 2.89Å; A80-A83 PolarHBondContact O-N 3.18Å; A80-S84 PolarHBondContact O-N 3.36Å |
| 81 | V | 98.8 | Very high | 98.8 | Very high | 72 Ų | 72 | 94.4 Ų | 94.4 | 44% | 0.436 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -47 | 175.1 | 169.5 | 0 | 0 | 0 | 0 | 111 | E77 R78 A83 S84 Y85 | E77-V81 WeakPolarHBondContact O-CG2 3.33Å; E77-V81 PolarHBondContact O-N 2.98Å; R78-V81 PolarHBondContact O-N 3.41Å; V81-A83 VanDerWaalsContact C-N 3.32Å; V81-A83 PolarHBondContact O-N 3.37Å; V81-S84 WeakPolarHBondContact O-CB 3.36Å; V81-S84 PolarHBondContact O-N 3.45Å; V81-S84 VanDerWaalsContact O-N 3.16Å; V81-Y85 HydrophobicContact CG1-CD2 3.54Å; V81-Y85 HydrophobicContact CG1-CE2 3.39Å; V81-Y85 VanDerWaalsContact O-CD2 3.25Å; V81-Y85 WeakPolarHBondContact O-CD2 3.17Å; V81-Y85 PolarHBondContact O-N 3.18Å |
| 82 | D | 98.8 | Very high | 98.8 | Very high | 79 Ų | 79 | 92.2 Ų | 92.2 | 42% | 0.422 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 178.7 | -70.1 | -17.5 | 0 | 0 | 0 | 111.2 | R78 Y85 I86 | R78-D82 WeakPolarHBondContact O-CB 3.41Å; R78-D82 PolarHBondContact O-N 3.18Å; D82-Y85 PolarHBondContact O-N 3.43Å; D82-I86 WeakPolarHBondContact O-CG1 3.41Å; D82-I86 PolarHBondContact O-N 3.27Å |
| 83 | A | 98.8 | Very high | 98.8 | Very high | 47 Ų | 47 | 96.5 Ų | 96.5 | 39% | 0.388 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A79 A80 V81 Y85 I86 D87 | A79-A83 WeakPolarHBondContact O-CB 3.29Å; A79-A83 PolarHBondContact O-N 3.31Å; A80-A83 PolarHBondContact O-N 3.18Å; V81-A83 VanDerWaalsContact C-N 3.32Å; V81-A83 PolarHBondContact O-N 3.37Å; A83-Y85 VanDerWaalsContact C-N 3.31Å; A83-Y85 PolarHBondContact O-N 3.05Å; A83-I86 PolarHBondContact O-N 2.99Å; A83-D87 PolarHBondContact O-N 3.47Å |
| 84 | S | 98.8 | Very high | 98.8 | Very high | 70 Ų | 70 | 96 Ų | 96 | 49% | 0.49 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.3 | -40.2 | 177 | -174.1 | 0 | 0 | 0 | 0 | 112.7 | A80 V81 D87 E88 | A80-S84 PolarHBondContact O-N 3.36Å; V81-S84 WeakPolarHBondContact O-CB 3.36Å; V81-S84 PolarHBondContact O-N 3.45Å; V81-S84 VanDerWaalsContact O-N 3.16Å; S84-D87 PolarHBondContact O-N 3.42Å; S84-E88 WeakPolarHBondContact O-CB 3.44Å; S84-E88 PolarHBondContact O-N 3.48Å |
| 85 | Y | 98.8 | Very high | 98.8 | Very high | 139 Ų | 139 | 97 Ų | 97 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 176.7 | -88.3 | -70.2 | 0 | 0 | 0 | 112.1 | V81 D82 A83 D87 I89 | V81-Y85 HydrophobicContact CG1-CD2 3.54Å; V81-Y85 HydrophobicContact CG1-CE2 3.39Å; V81-Y85 VanDerWaalsContact O-CD2 3.25Å; V81-Y85 WeakPolarHBondContact O-CD2 3.17Å; V81-Y85 PolarHBondContact O-N 3.18Å; D82-Y85 PolarHBondContact O-N 3.43Å; A83-Y85 VanDerWaalsContact C-N 3.31Å; A83-Y85 PolarHBondContact O-N 3.05Å; Y85-D87 VanDerWaalsContact C-N 3.33Å; Y85-I89 VanDerWaalsContact O-CB 3.29Å; Y85-I89 WeakPolarHBondContact O-CB 3.43Å; Y85-I89 WeakPolarHBondContact O-CD1 3.43Å; Y85-I89 WeakPolarHBondContact O-CG1 3.25Å; Y85-I89 PolarHBondContact O-N 2.97Å |
| 86 | I | 98.8 | Very high | 98.8 | Very high | 117 Ų | 117 | 95.8 Ų | 95.8 | 60% | 0.6 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62 | -45.2 | 177.4 | -70.7 | 167.1 | 0 | 0 | 0 | 110.1 | D82 A83 I89 D90 | D82-I86 WeakPolarHBondContact O-CG1 3.41Å; D82-I86 PolarHBondContact O-N 3.27Å; A83-I86 PolarHBondContact O-N 2.99Å; I86-I89 PolarHBondContact O-N 3.01Å; I86-D90 WeakPolarHBondContact O-CB 3.44Å; I86-D90 PolarHBondContact O-N 3.23Å |
| 87 | D | 98.8 | Very high | 98.8 | Very high | 102 Ų | 102 | 95.8 Ų | 95.8 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -48 | 179.5 | -69 | -18.8 | 0 | 0 | 0 | 111.4 | A83 S84 Y85 I89 D90 E91 | A83-D87 PolarHBondContact O-N 3.47Å; S84-D87 PolarHBondContact O-N 3.42Å; Y85-D87 VanDerWaalsContact C-N 3.33Å; D87-I89 PolarHBondContact O-N 3.49Å; D87-D90 PolarHBondContact O-N 3.02Å; D87-E91 WeakPolarHBondContact O-CG 3.36Å; D87-E91 PolarHBondContact O-N 3.47Å |
| 88 | E | 98.8 | Very high | 98.8 | Very high | 106 Ų | 106 | 96 Ų | 96 | 50% | 0.495 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 178.6 | -175.8 | 175.6 | -169.3 | 0 | 0 | 111.9 | S84 E91 L92 | S84-E88 WeakPolarHBondContact O-CB 3.44Å; S84-E88 PolarHBondContact O-N 3.48Å; E88-E91 PolarHBondContact O-N 3.33Å; E88-L92 HydrophobicContact CG-CD1 4.5Å; E88-L92 WeakPolarHBondContact O-CG 3.38Å; E88-L92 PolarHBondContact O-N 3.41Å |
| 89 | I | 98.8 | Very high | 98.8 | Very high | 84 Ų | 84 | 92.3 Ų | 92.3 | 43% | 0.431 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.4 | -41.4 | 177.8 | -71.7 | 168.7 | 0 | 0 | 0 | 110.9 | Y85 I86 D87 E91 L92 F93 | Y85-I89 VanDerWaalsContact O-CB 3.29Å; Y85-I89 WeakPolarHBondContact O-CB 3.43Å; Y85-I89 WeakPolarHBondContact O-CD1 3.43Å; Y85-I89 WeakPolarHBondContact O-CG1 3.25Å; Y85-I89 PolarHBondContact O-N 2.97Å; I86-I89 PolarHBondContact O-N 3.01Å; D87-I89 PolarHBondContact O-N 3.49Å; I89-E91 VanDerWaalsContact C-N 3.34Å; I89-E91 PolarHBondContact O-N 2.82Å; I89-L92 PolarHBondContact O-N 2.98Å; I89-F93 HydrophobicContact CG2-CD2 3.6Å; I89-F93 HydrophobicContact CG2-CE2 3.55Å; I89-F93 VanDerWaalsContact O-CD2 3.24Å; I89-F93 WeakPolarHBondContact O-CD2 3.38Å; I89-F93 PolarHBondContact O-N 3.42Å |
| 90 | D | 98.8 | Very high | 98.8 | Very high | 75 Ų | 75 | 94.8 Ų | 94.8 | 40% | 0.401 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -41 | 176.6 | -180 | 64.6 | 0 | 0 | 0 | 111.8 | I86 D87 F93 K94 | I86-D90 WeakPolarHBondContact O-CB 3.44Å; I86-D90 PolarHBondContact O-N 3.23Å; D87-D90 PolarHBondContact O-N 3.02Å; D90-F93 PolarHBondContact O-N 3.12Å; D90-K94 WeakPolarHBondContact O-CG 3.41Å; D90-K94 PolarHBondContact O-N 3.03Å; D90-K94 WeakPolarHBondContact OD2-CE 3.47Å; D90-K94 IonicContact OD2-NZ 2.61Å; D90-K94 PolarHBondContact OD2-NZ 2.95Å |
| 91 | E | 98.8 | Very high | 98.8 | Very high | 132 Ų | 132 | 95 Ų | 95 | 62% | 0.617 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.6 | -46 | 174 | -71.6 | -174.9 | 162.5 | 0 | 0 | 112.1 | D87 E88 I89 F93 K94 E95 | D87-E91 WeakPolarHBondContact O-CG 3.36Å; D87-E91 PolarHBondContact O-N 3.47Å; E88-E91 PolarHBondContact O-N 3.33Å; I89-E91 VanDerWaalsContact C-N 3.34Å; I89-E91 PolarHBondContact O-N 2.82Å; E91-F93 VanDerWaalsContact C-N 3.32Å; E91-F93 PolarHBondContact O-N 3.24Å; E91-K94 WeakPolarHBondContact O-CB 3.39Å; E91-K94 PolarHBondContact O-N 3.16Å; E91-E95 PolarHBondContact O-N 2.86Å |
| 92 | L | 98.9 | Very high | 98.8 | Very high | 96 Ų | 96 | 97.3 Ų | 97.3 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61 | -39.7 | 175.8 | -71 | 173.4 | 0 | 0 | 0 | 112.1 | E88 I89 E95 A96 | E88-L92 HydrophobicContact CG-CD1 4.5Å; E88-L92 WeakPolarHBondContact O-CG 3.38Å; E88-L92 PolarHBondContact O-N 3.41Å; I89-L92 PolarHBondContact O-N 2.98Å; L92-E95 PolarHBondContact O-N 3.41Å; L92-A96 VanDerWaalsContact O-CB 3.31Å; L92-A96 WeakPolarHBondContact O-CB 3.22Å; L92-A96 PolarHBondContact O-N 3.4Å |
| 93 | F | 98.8 | Very high | 98.8 | Very high | 142 Ų | 142 | 98.1 Ų | 98.1 | 62% | 0.623 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.2 | -41.1 | 175.2 | -91.1 | -68.7 | 0 | 0 | 0 | 112.1 | I89 D90 E91 A96 N97 | I89-F93 HydrophobicContact CG2-CD2 3.6Å; I89-F93 HydrophobicContact CG2-CE2 3.55Å; I89-F93 VanDerWaalsContact O-CD2 3.24Å; I89-F93 WeakPolarHBondContact O-CD2 3.38Å; I89-F93 PolarHBondContact O-N 3.42Å; D90-F93 PolarHBondContact O-N 3.12Å; E91-F93 VanDerWaalsContact C-N 3.32Å; E91-F93 PolarHBondContact O-N 3.24Å; F93-A96 PolarHBondContact O-N 2.92Å; F93-N97 VanDerWaalsContact O-CB 3.26Å; F93-N97 WeakPolarHBondContact O-CB 3.33Å; F93-N97 PolarHBondContact O-N 2.89Å |
| 94 | K | 98.8 | Very high | 98.8 | Very high | 120 Ų | 120 | 99.1 Ų | 99.1 | 52% | 0.522 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 176.1 | -74.6 | 166.2 | 175.6 | 164 | 0 | 111.6 | D90 E91 T98 | D90-K94 WeakPolarHBondContact O-CG 3.41Å; D90-K94 PolarHBondContact O-N 3.03Å; D90-K94 WeakPolarHBondContact OD2-CE 3.47Å; D90-K94 IonicContact OD2-NZ 2.61Å; D90-K94 PolarHBondContact OD2-NZ 2.95Å; E91-K94 WeakPolarHBondContact O-CB 3.39Å; E91-K94 PolarHBondContact O-N 3.16Å; K94-T98 WeakPolarHBondContact O-CB 3.48Å; K94-T98 PolarHBondContact O-N 3.09Å; K94-T98 PolarHBondContact O-OG1 2.91Å |
| 95 | E | 98.8 | Very high | 98.8 | Very high | 118 Ų | 118 | 102.2 Ų | 102.2 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.4 | -49.7 | 175.5 | -173.4 | -179.6 | 173.3 | 0 | 0 | 111.2 | E91 L92 N97 T98 I99 | E91-E95 PolarHBondContact O-N 2.86Å; L92-E95 PolarHBondContact O-N 3.41Å; E95-N97 VanDerWaalsContact C-N 3.33Å; E95-N97 PolarHBondContact O-N 3.09Å; E95-T98 WeakPolarHBondContact O-CA 3.45Å; E95-T98 WeakPolarHBondContact O-CB 3.46Å; E95-T98 PolarHBondContact O-N 3.48Å; E95-I99 HydrophobicContact CG-CD1 4.03Å; E95-I99 WeakPolarHBondContact O-CG1 3.28Å; E95-I99 PolarHBondContact O-N 3.33Å |
| 96 | A | 98.9 | Very high | 98.8 | Very high | 56 Ų | 56 | 101.6 Ų | 101.6 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.8 | -45.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L92 F93 T98 I99 E100 | L92-A96 VanDerWaalsContact O-CB 3.31Å; L92-A96 WeakPolarHBondContact O-CB 3.22Å; L92-A96 PolarHBondContact O-N 3.4Å; F93-A96 PolarHBondContact O-N 2.92Å; A96-T98 VanDerWaalsContact C-N 3.31Å; A96-T98 PolarHBondContact O-N 3.38Å; A96-I99 PolarHBondContact O-N 3.4Å; A96-E100 WeakPolarHBondContact O-CB 3.45Å; A96-E100 PolarHBondContact O-N 2.96Å |
| 97 | N | 98.8 | Very high | 98.8 | Very high | 82 Ų | 82 | 104.2 Ų | 104.2 | 44% | 0.439 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.3 | -36.6 | 175.8 | 179.4 | 58.4 | 0 | 0 | 0 | 112.1 | F93 E95 E100 N101 | F93-N97 VanDerWaalsContact O-CB 3.26Å; F93-N97 WeakPolarHBondContact O-CB 3.33Å; F93-N97 PolarHBondContact O-N 2.89Å; E95-N97 VanDerWaalsContact C-N 3.33Å; E95-N97 PolarHBondContact O-N 3.09Å; N97-E100 PolarHBondContact O-N 3.48Å; N97-N101 PolarHBondContact ND2-ND2 3.4Å; N97-N101 WeakPolarHBondContact O-CB 3.36Å; N97-N101 PolarHBondContact O-N 2.93Å; N97-N101 PolarHBondContact O-ND2 2.91Å; N97-N101 PolarHBondContact OD1-ND2 2.99Å; N97-N101 VanDerWaalsContact OD1-ND2 3.08Å |
| 98 | T | 98.8 | Very high | 98.8 | Very high | 94 Ų | 94 | 102.5 Ų | 102.5 | 58% | 0.577 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.4 | -45.4 | 175.9 | -61.5 | 0 | 0 | 0 | 0 | 110.9 | K94 E95 A96 N101 F102 | K94-T98 WeakPolarHBondContact O-CB 3.48Å; K94-T98 PolarHBondContact O-N 3.09Å; K94-T98 PolarHBondContact O-OG1 2.91Å; E95-T98 WeakPolarHBondContact O-CA 3.45Å; E95-T98 WeakPolarHBondContact O-CB 3.46Å; E95-T98 PolarHBondContact O-N 3.48Å; A96-T98 VanDerWaalsContact C-N 3.31Å; A96-T98 PolarHBondContact O-N 3.38Å; T98-N101 PolarHBondContact O-N 3.49Å; T98-F102 WeakPolarHBondContact O-CB 3.3Å; T98-F102 PolarHBondContact O-N 2.92Å |
| 99 | I | 98.8 | Very high | 98.8 | Very high | 85 Ų | 85 | 103 Ų | 103 | 44% | 0.436 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | 177 | -65.9 | 168.7 | 0 | 0 | 0 | 110.7 | E95 A96 N101 F102 L103 | E95-I99 HydrophobicContact CG-CD1 4.03Å; E95-I99 WeakPolarHBondContact O-CG1 3.28Å; E95-I99 PolarHBondContact O-N 3.33Å; A96-I99 PolarHBondContact O-N 3.4Å; I99-N101 PolarHBondContact O-N 3.44Å; I99-F102 PolarHBondContact O-N 3.36Å; I99-L103 HydrophobicContact CG2-CD1 4Å; I99-L103 HydrophobicContact CG2-CG 4.35Å; I99-L103 VanDerWaalsContact O-CG 3.32Å; I99-L103 WeakPolarHBondContact O-CG 3.24Å; I99-L103 PolarHBondContact O-N 3.21Å |
| 100 | E | 98.8 | Very high | 98.8 | Very high | 111 Ų | 111 | 103.3 Ų | 103.3 | 52% | 0.519 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.5 | -51.2 | 177.8 | 179.2 | 175.7 | -155.7 | 0 | 0 | 111.3 | A96 N97 F102 L103 I104 | A96-E100 WeakPolarHBondContact O-CB 3.45Å; A96-E100 PolarHBondContact O-N 2.96Å; N97-E100 PolarHBondContact O-N 3.48Å; E100-F102 VanDerWaalsContact C-N 3.31Å; E100-F102 PolarHBondContact O-N 2.94Å; E100-L103 PolarHBondContact O-N 2.7Å; E100-L103 VanDerWaalsContact O-N 3.13Å; E100-I104 HydrophobicContact CG-CD1 3.89Å; E100-I104 WeakPolarHBondContact O-CG1 3.46Å; E100-I104 PolarHBondContact O-N 2.88Å |
| 101 | N | 98.8 | Very high | 98.8 | Very high | 69 Ų | 69 | 106.6 Ų | 106.6 | 37% | 0.369 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.1 | -42 | 179.2 | -76.5 | -55 | 0 | 0 | 0 | 111.8 | N97 T98 I99 L103 I104 Q105 | N97-N101 PolarHBondContact ND2-ND2 3.4Å; N97-N101 WeakPolarHBondContact O-CB 3.36Å; N97-N101 PolarHBondContact O-N 2.93Å; N97-N101 PolarHBondContact O-ND2 2.91Å; N97-N101 PolarHBondContact OD1-ND2 2.99Å; N97-N101 VanDerWaalsContact OD1-ND2 3.08Å; T98-N101 PolarHBondContact O-N 3.49Å; I99-N101 PolarHBondContact O-N 3.44Å; N101-L103 PolarHBondContact O-N 3.44Å; N101-I104 PolarHBondContact O-N 2.79Å; N101-Q105 WeakPolarHBondContact O-CG 3.43Å; N101-Q105 PolarHBondContact O-N 2.94Å |
| 102 | F | 98.8 | Very high | 98.8 | Very high | 120 Ų | 120 | 104.9 Ų | 104.9 | 53% | 0.526 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 175 | 175.8 | -100.3 | 0 | 0 | 0 | 112.1 | T98 I99 E100 Q105 K106 | T98-F102 WeakPolarHBondContact O-CB 3.3Å; T98-F102 PolarHBondContact O-N 2.92Å; I99-F102 PolarHBondContact O-N 3.36Å; E100-F102 VanDerWaalsContact C-N 3.31Å; E100-F102 PolarHBondContact O-N 2.94Å; F102-Q105 PolarHBondContact O-N 3.23Å; F102-K106 HydrophobicContact CE1-CD 4.1Å; F102-K106 HydrophobicContact CZ-CD 4.33Å; F102-K106 WeakPolarHBondContact O-CB 3.35Å; F102-K106 PolarHBondContact O-N 3.32Å |
| 103 | L | 98.9 | Very high | 98.7 | Very high | 95 Ų | 95 | 107.1 Ų | 107.1 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.8 | -39 | 178.8 | -70.9 | 176.2 | 0 | 0 | 0 | 112.2 | I99 E100 N101 K106 R107 | I99-L103 HydrophobicContact CG2-CD1 4Å; I99-L103 HydrophobicContact CG2-CG 4.35Å; I99-L103 VanDerWaalsContact O-CG 3.32Å; I99-L103 WeakPolarHBondContact O-CG 3.24Å; I99-L103 PolarHBondContact O-N 3.21Å; E100-L103 PolarHBondContact O-N 2.7Å; E100-L103 VanDerWaalsContact O-N 3.13Å; N101-L103 PolarHBondContact O-N 3.44Å; L103-K106 PolarHBondContact O-N 2.84Å; L103-R107 VanDerWaalsContact O-CB 3.3Å; L103-R107 WeakPolarHBondContact O-CB 3.42Å; L103-R107 PolarHBondContact O-N 2.83Å |
| 104 | I | 98.8 | Very high | 98.7 | Very high | 68 Ų | 68 | 106.5 Ų | 106.5 | 35% | 0.349 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.9 | -49.7 | 174.5 | -70.2 | 168.2 | 0 | 0 | 0 | 110.2 | E100 N101 K106 R107 E108 | E100-I104 HydrophobicContact CG-CD1 3.89Å; E100-I104 WeakPolarHBondContact O-CG1 3.46Å; E100-I104 PolarHBondContact O-N 2.88Å; N101-I104 PolarHBondContact O-N 2.79Å; I104-K106 PolarHBondContact O-N 3.42Å; I104-R107 PolarHBondContact O-N 3.45Å; I104-E108 WeakPolarHBondContact O-CB 3.41Å; I104-E108 PolarHBondContact O-N 3.22Å |
| 105 | Q | 98.8 | Very high | 98.7 | Very high | 136 Ų | 136 | 103.8 Ų | 103.8 | 64% | 0.636 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.5 | -45.4 | 178.5 | -71.1 | 177.4 | 7.7 | 0 | 0 | 111.8 | N101 F102 R107 E108 F109 | N101-Q105 WeakPolarHBondContact O-CG 3.43Å; N101-Q105 PolarHBondContact O-N 2.94Å; F102-Q105 PolarHBondContact O-N 3.23Å; Q105-R107 VanDerWaalsContact C-N 3.35Å; Q105-R107 PolarHBondContact O-N 2.9Å; Q105-E108 PolarHBondContact O-N 3.25Å; Q105-F109 WeakPolarHBondContact O-CB 3.28Å; Q105-F109 PolarHBondContact O-N 3.07Å |
| 106 | K | 98.8 | Very high | 98.7 | Very high | 126 Ų | 126 | 102.4 Ų | 102.4 | 55% | 0.548 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 179.3 | -174.2 | 176.7 | -179.9 | 179.8 | 0 | 111.9 | F102 L103 I104 L110 | F102-K106 HydrophobicContact CE1-CD 4.1Å; F102-K106 HydrophobicContact CZ-CD 4.33Å; F102-K106 WeakPolarHBondContact O-CB 3.35Å; F102-K106 PolarHBondContact O-N 3.32Å; L103-K106 PolarHBondContact O-N 2.84Å; I104-K106 PolarHBondContact O-N 3.42Å; K106-L110 WeakPolarHBondContact O-CB 3.43Å; K106-L110 PolarHBondContact O-N 3.42Å |
| 107 | R | 98.8 | Very high | 98.6 | Very high | 172 Ų | 172 | 103.8 Ų | 103.8 | 65% | 0.649 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.1 | -44.9 | 176.3 | -176.5 | 180 | 67.5 | -142.8 | -0.7 | 111.1 | L103 I104 Q105 L110 R111 | L103-R107 VanDerWaalsContact O-CB 3.3Å; L103-R107 WeakPolarHBondContact O-CB 3.42Å; L103-R107 PolarHBondContact O-N 2.83Å; I104-R107 PolarHBondContact O-N 3.45Å; Q105-R107 VanDerWaalsContact C-N 3.35Å; Q105-R107 PolarHBondContact O-N 2.9Å; R107-L110 PolarHBondContact O-N 3.41Å; R107-R111 PolarHBondContact O-N 3.27Å |
| 108 | E | 98.7 | Very high | 98.6 | Very high | 65 Ų | 65 | 102.3 Ų | 102.3 | 30% | 0.304 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.2 | -44.7 | 179.6 | 178.4 | 51.5 | -151.8 | 0 | 0 | 112 | I104 Q105 L110 R111 Q112 | I104-E108 WeakPolarHBondContact O-CB 3.41Å; I104-E108 PolarHBondContact O-N 3.22Å; Q105-E108 PolarHBondContact O-N 3.25Å; E108-L110 VanDerWaalsContact C-N 3.29Å; E108-L110 PolarHBondContact O-N 2.95Å; E108-R111 WeakPolarHBondContact O-CB 3.48Å; E108-R111 PolarHBondContact O-N 2.88Å; E108-R111 IonicContact OE1-CZ 3.44Å; E108-R111 IonicContact OE1-NE 3.41Å; E108-R111 PolarHBondContact OE1-NE 3.32Å; E108-R111 IonicContact OE1-NH2 2.68Å; E108-R111 PolarHBondContact OE1-NH2 2.7Å; E108-R111 IonicContact OE2-CZ 3.49Å; E108-R111 IonicContact OE2-NE 2.78Å; E108-R111 PolarHBondContact OE2-NE 3Å; E108-R111 IonicContact OE2-NH2 3.36Å; E108-R111 PolarHBondContact OE2-NH2 3.31Å; E108-Q112 WeakPolarHBondContact O-CG 3.43Å; E108-Q112 PolarHBondContact O-N 3.19Å; E108-Q112 PolarHBondContact OE1-NE2 3.16Å |
| 109 | F | 98.6 | Very high | 98.5 | Very high | 118 Ų | 118 | 103.1 Ų | 103.1 | 52% | 0.518 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.2 | -42.6 | 174.3 | 178.7 | -106.6 | 0 | 0 | 0 | 112 | Q105 Q112 R113 | Q105-F109 WeakPolarHBondContact O-CB 3.28Å; Q105-F109 PolarHBondContact O-N 3.07Å; F109-Q112 PolarHBondContact O-N 2.86Å; F109-R113 HydrophobicContact CE1-CG 4.18Å; F109-R113 HydrophobicContact CE2-CG 4.49Å; F109-R113 HydrophobicContact CZ-CG 4.16Å; F109-R113 WeakPolarHBondContact O-CG 3.38Å; F109-R113 PolarHBondContact O-N 2.96Å |
| 110 | L | 98.8 | Very high | 98.4 | Very high | 89 Ų | 89 | 103.6 Ų | 103.6 | 47% | 0.466 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 177.8 | -170.9 | 62.7 | 0 | 0 | 0 | 111.7 | K106 R107 E108 Q112 R113 F114 | K106-L110 WeakPolarHBondContact O-CB 3.43Å; K106-L110 PolarHBondContact O-N 3.42Å; R107-L110 PolarHBondContact O-N 3.41Å; E108-L110 VanDerWaalsContact C-N 3.29Å; E108-L110 PolarHBondContact O-N 2.95Å; L110-Q112 VanDerWaalsContact C-N 3.35Å; L110-Q112 PolarHBondContact O-N 2.85Å; L110-R113 PolarHBondContact O-N 2.92Å; L110-F114 HydrophobicContact CD1-CD2 4.15Å; L110-F114 HydrophobicContact CD1-CE2 3.67Å; L110-F114 HydrophobicContact CD1-CZ 4.24Å; L110-F114 HydrophobicContact CD2-CE2 3.9Å; L110-F114 HydrophobicContact CG-CD2 3.83Å; L110-F114 HydrophobicContact CG-CE2 3.49Å; L110-F114 VanDerWaalsContact CG-CE2 3.49Å; L110-F114 HydrophobicContact CG-CZ 4.48Å; L110-F114 VanDerWaalsContact O-CD2 3.23Å; L110-F114 WeakPolarHBondContact O-CD2 3.35Å; L110-F114 PolarHBondContact O-N 2.86Å |
| 111 | R | 98.6 | Very high | 98.3 | Very high | 144 Ų | 144 | 104.8 Ų | 104.8 | 54% | 0.543 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -56.5 | -49.1 | 173.7 | -171.9 | -174.5 | 73.2 | 89.7 | -0.3 | 110.9 | R107 E108 R113 F114 T115 | R107-R111 PolarHBondContact O-N 3.27Å; E108-R111 WeakPolarHBondContact O-CB 3.48Å; E108-R111 PolarHBondContact O-N 2.88Å; E108-R111 IonicContact OE1-CZ 3.44Å; E108-R111 IonicContact OE1-NE 3.41Å; E108-R111 PolarHBondContact OE1-NE 3.32Å; E108-R111 IonicContact OE1-NH2 2.68Å; E108-R111 PolarHBondContact OE1-NH2 2.7Å; E108-R111 IonicContact OE2-CZ 3.49Å; E108-R111 IonicContact OE2-NE 2.78Å; E108-R111 PolarHBondContact OE2-NE 3Å; E108-R111 IonicContact OE2-NH2 3.36Å; E108-R111 PolarHBondContact OE2-NH2 3.31Å; R111-R113 PolarHBondContact O-N 3.23Å; R111-F114 PolarHBondContact O-N 2.84Å; R111-T115 PolarHBondContact O-N 3.37Å; R111-T115 PolarHBondContact O-OG1 3.08Å; R111-T115 VanDerWaalsContact O-OG1 3.13Å |
| 112 | Q | 98.6 | Very high | 97.8 | Very high | 96 Ų | 96 | 110.2 Ų | 110.2 | 45% | 0.449 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.5 | -45.2 | 177.9 | -68.5 | 171.1 | 9.5 | 0 | 0 | 111.8 | E108 F109 L110 F114 T115 V116 | E108-Q112 WeakPolarHBondContact O-CG 3.43Å; E108-Q112 PolarHBondContact O-N 3.19Å; E108-Q112 PolarHBondContact OE1-NE2 3.16Å; F109-Q112 PolarHBondContact O-N 2.86Å; L110-Q112 VanDerWaalsContact C-N 3.35Å; L110-Q112 PolarHBondContact O-N 2.85Å; Q112-F114 PolarHBondContact O-N 3.43Å; Q112-T115 WeakPolarHBondContact O-CB 3.22Å; Q112-T115 PolarHBondContact O-N 2.86Å; Q112-V116 WeakPolarHBondContact O-CG2 3.27Å; Q112-V116 PolarHBondContact O-N 3.3Å |
| 113 | R | 98.4 | Very high | 96.2 | Very high | 144 Ų | 144 | 117.8 Ų | 117.8 | 54% | 0.543 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.9 | -44.2 | 176.6 | -73.9 | -173.5 | 69.4 | 166.4 | 4.7 | 112.3 | F109 L110 R111 V116 I117 | F109-R113 HydrophobicContact CE1-CG 4.18Å; F109-R113 HydrophobicContact CE2-CG 4.49Å; F109-R113 HydrophobicContact CZ-CG 4.16Å; F109-R113 WeakPolarHBondContact O-CG 3.38Å; F109-R113 PolarHBondContact O-N 2.96Å; L110-R113 PolarHBondContact O-N 2.92Å; R111-R113 PolarHBondContact O-N 3.23Å; R113-V116 PolarHBondContact O-N 3.47Å; R113-I117 VanDerWaalsContact O-CG1 3.31Å; R113-I117 WeakPolarHBondContact O-CG1 3.48Å; R113-I117 PolarHBondContact O-N 3.4Å |
| 114 | F | 98.3 | Very high | 96 | Very high | 128 Ų | 128 | 118.9 Ų | 118.9 | 56% | 0.561 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.4 | -39.7 | 176.6 | -78.6 | -56.9 | 0 | 0 | 0 | 112.3 | L110 R111 Q112 V116 I117 A118 | L110-F114 HydrophobicContact CD1-CD2 4.15Å; L110-F114 HydrophobicContact CD1-CE2 3.67Å; L110-F114 HydrophobicContact CD1-CZ 4.24Å; L110-F114 HydrophobicContact CD2-CE2 3.9Å; L110-F114 HydrophobicContact CG-CD2 3.83Å; L110-F114 HydrophobicContact CG-CE2 3.49Å; L110-F114 VanDerWaalsContact CG-CE2 3.49Å; L110-F114 HydrophobicContact CG-CZ 4.48Å; L110-F114 VanDerWaalsContact O-CD2 3.23Å; L110-F114 WeakPolarHBondContact O-CD2 3.35Å; L110-F114 PolarHBondContact O-N 2.86Å; R111-F114 PolarHBondContact O-N 2.84Å; Q112-F114 PolarHBondContact O-N 3.43Å; F114-V116 PolarHBondContact O-N 3.03Å; F114-I117 PolarHBondContact O-N 2.89Å; F114-A118 WeakPolarHBondContact O-CB 3.33Å; F114-A118 PolarHBondContact O-N 3.24Å |
| 115 | T | 98.3 | Very high | 95.9 | Very high | 63 Ų | 63 | 121.6 Ų | 121.6 | 39% | 0.387 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -59.6 | -45.2 | 174 | -60 | 0 | 0 | 0 | 0 | 111.8 | R111 Q112 I117 A118 N119 | R111-T115 PolarHBondContact O-N 3.37Å; R111-T115 PolarHBondContact O-OG1 3.08Å; R111-T115 VanDerWaalsContact O-OG1 3.13Å; Q112-T115 WeakPolarHBondContact O-CB 3.22Å; Q112-T115 PolarHBondContact O-N 2.86Å; T115-I117 PolarHBondContact O-N 3.37Å; T115-A118 PolarHBondContact O-N 2.95Å; T115-N119 WeakPolarHBondContact O-CB 3.44Å; T115-N119 PolarHBondContact O-N 2.92Å; T115-N119 PolarHBondContact O-ND2 3.19Å |
| 116 | V | 98.1 | Very high | 95.7 | Very high | 90 Ų | 90 | 120.8 Ų | 120.8 | 55% | 0.545 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.8 | -44.7 | 177.2 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | Q112 R113 F114 N119 T120 | Q112-V116 WeakPolarHBondContact O-CG2 3.27Å; Q112-V116 PolarHBondContact O-N 3.3Å; R113-V116 PolarHBondContact O-N 3.47Å; F114-V116 PolarHBondContact O-N 3.03Å; V116-N119 PolarHBondContact O-N 3.1Å; V116-T120 WeakPolarHBondContact O-CB 3.43Å; V116-T120 PolarHBondContact O-N 3.41Å; V116-T120 PolarHBondContact O-OG1 3.28Å |
| 117 | I | 97.9 | Very high | 95.6 | Very high | 85 Ų | 85 | 120.5 Ų | 120.5 | 44% | 0.436 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.1 | -49.4 | 177.3 | -68.2 | 165.7 | 0 | 0 | 0 | 110.3 | R113 F114 T115 N119 T120 L121 | R113-I117 VanDerWaalsContact O-CG1 3.31Å; R113-I117 WeakPolarHBondContact O-CG1 3.48Å; R113-I117 PolarHBondContact O-N 3.4Å; F114-I117 PolarHBondContact O-N 2.89Å; T115-I117 PolarHBondContact O-N 3.37Å; I117-N119 PolarHBondContact O-N 3.02Å; I117-T120 PolarHBondContact O-N 3.28Å; I117-T120 VanDerWaalsContact O-N 3.15Å; I117-L121 HydrophobicContact CG2-CD1 3.78Å; I117-L121 HydrophobicContact CG2-CG 4.33Å; I117-L121 WeakPolarHBondContact O-CG 3.27Å; I117-L121 PolarHBondContact O-N 3.38Å |
| 118 | A | 97.9 | Very high | 95.4 | Very high | 51 Ų | 51 | 117.3 Ų | 117.3 | 42% | 0.421 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.2 | -46.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | F114 T115 T120 L121 H122 | F114-A118 WeakPolarHBondContact O-CB 3.33Å; F114-A118 PolarHBondContact O-N 3.24Å; T115-A118 PolarHBondContact O-N 2.95Å; A118-T120 VanDerWaalsContact C-N 3.28Å; A118-T120 PolarHBondContact O-N 3.37Å; A118-L121 PolarHBondContact O-N 2.84Å; A118-H122 WeakPolarHBondContact O-CB 3.45Å; A118-H122 PolarHBondContact O-N 3.42Å |
| 119 | N | 96.8 | Very high | 95.1 | Very high | 111 Ų | 111 | 120.7 Ų | 120.7 | 59% | 0.594 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.3 | -33.9 | 177.2 | -69.8 | -15.3 | 0 | 0 | 0 | 112.7 | T115 V116 I117 | T115-N119 WeakPolarHBondContact O-CB 3.44Å; T115-N119 PolarHBondContact O-N 2.92Å; T115-N119 PolarHBondContact O-ND2 3.19Å; V116-N119 PolarHBondContact O-N 3.1Å; I117-N119 PolarHBondContact O-N 3.02Å |
| 120 | T | 96.9 | Very high | 94.9 | Very high | 94 Ų | 94 | 120.9 Ų | 120.9 | 58% | 0.577 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -72 | -37.2 | 177.1 | -53.9 | 0 | 0 | 0 | 0 | 111.6 | V116 I117 A118 | V116-T120 WeakPolarHBondContact O-CB 3.43Å; V116-T120 PolarHBondContact O-N 3.41Å; V116-T120 PolarHBondContact O-OG1 3.28Å; I117-T120 PolarHBondContact O-N 3.28Å; I117-T120 VanDerWaalsContact O-N 3.15Å; A118-T120 VanDerWaalsContact C-N 3.28Å; A118-T120 PolarHBondContact O-N 3.37Å |
| 121 | L | 96.4 | Very high | 94.6 | Very high | 136 Ų | 136 | 123.4 Ų | 123.4 | 71% | 0.712 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -78.3 | -22.8 | 179.6 | -68.3 | 174.6 | 0 | 0 | 0 | 113.7 | I117 A118 R123 | I117-L121 HydrophobicContact CG2-CD1 3.78Å; I117-L121 HydrophobicContact CG2-CG 4.33Å; I117-L121 WeakPolarHBondContact O-CG 3.27Å; I117-L121 PolarHBondContact O-N 3.38Å; A118-L121 PolarHBondContact O-N 2.84Å; L121-R123 VanDerWaalsContact C-N 3.27Å |
| 122 | H | 88.7 | Confident | 94.3 | Very high | 184 Ų | 184 | 121.7 Ų | 121.7 | 85% | 0.852 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -8.3 | 177.2 | -128.2 | 73.8 | 0 | 0 | 0 | 113.6 | A118 | A118-H122 WeakPolarHBondContact O-CB 3.45Å; A118-H122 PolarHBondContact O-N 3.42Å |
| 123 | R | 64.9 | Low | 93.9 | Very high | 278 Ų | 278 | 124 Ų | 124 | 100% | 1.049 | 61% | 0.607 | S | S | * | * | trans | -98.8 | 0 | 178.7 | -177.8 | -178.1 | 174.2 | -156.5 | -2.5 | 110.4 | L121 | L121-R123 VanDerWaalsContact C-N 3.27Š|
Retrieved 123 of 123 residues in 341.3 ms
(Link to these results)