| 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 | 45.1 | Very low | 48.9 | Very low | 239 Ų | 239 | 158.3 Ų | 158.3 | 100% | 1.177 | 85% | 0.852 | S | S | * | * | 0 | 97.8 | 0 | -89 | 62.9 | 175.6 | 0 | 0 | 109.7 | |||||
| 2 | S | 57 | Low | 49 | Very low | 102 Ų | 102 | 155.3 Ų | 155.3 | 71% | 0.713 | 85% | 0.847 | S | S | * | * | trans | -72.8 | 150.7 | 155.8 | -71.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 3 | Y | 40.5 | Very low | 48 | Very low | 210 Ų | 210 | 151 Ų | 151 | 82% | 0.824 | 85% | 0.846 | S | S | * | * | -178.2 | 101.2 | 128.6 | -73.5 | -57.2 | 0 | 0 | 0 | 106.9 | |||||
| 4 | K | 61.4 | Low | 47.4 | Very low | 188 Ų | 188 | 148 Ų | 148 | 82% | 0.817 | 85% | 0.85 | S | S | * | * | 99.1 | 130.8 | 94.2 | -88.6 | -179 | 160.5 | -177 | 0 | 112.8 | |||||
| 5 | P | 53.8 | Low | 46.9 | Very low | 128 Ų | 128 | 143.5 Ų | 143.5 | 83% | 0.831 | 84% | 0.838 | S | S | * | * | trans | -84.6 | 156.1 | 176.1 | 35.4 | -32.1 | 0 | 0 | 0 | 111.1 | ||||
| 6 | N | 48.6 | Very low | 46.5 | Very low | 157 Ų | 157 | 144.2 Ų | 144.2 | 84% | 0.84 | 84% | 0.836 | S | S | * | * | trans | -125.5 | 128.4 | 171.5 | -156.7 | -80.2 | 0 | 0 | 0 | 111.3 | ||||
| 7 | L | 51.8 | Low | 46.3 | Very low | 172 Ų | 172 | 145.1 Ų | 145.1 | 90% | 0.901 | 84% | 0.837 | S | S | * | * | trans | -102.8 | 117.7 | -178 | -167.5 | 87.7 | 0 | 0 | 0 | 107.3 | ||||
| 8 | A | 48.8 | Very low | 46 | Very low | 96 Ų | 96 | 142.7 Ų | 142.7 | 79% | 0.793 | 84% | 0.837 | S | S | * | * | trans | -148.1 | 113.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 9 | A | 43 | Very low | 45.5 | Very low | 97 Ų | 97 | 140.8 Ų | 140.8 | 80% | 0.802 | 84% | 0.84 | S | S | * | * | trans | -74.7 | 148.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 10 | H | 38.9 | Very low | 44.9 | Very low | 185 Ų | 185 | 137.6 Ų | 137.6 | 86% | 0.856 | 84% | 0.836 | S | S | * | * | trans | -167.1 | 126.5 | 139.5 | -153.3 | 58.2 | 0 | 0 | 0 | 112 | ||||
| 11 | M | 49.4 | Very low | 45 | Very low | 167 Ų | 167 | 136.3 Ų | 136.3 | 82% | 0.823 | 83% | 0.834 | S | S | * | * | trans | -84 | 157.3 | 162.7 | -61 | -157.3 | 173.5 | 0 | 0 | 109.9 | ||||
| 12 | P | 49.7 | Very low | 44.6 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | trans | -115.5 | 116.6 | 150.6 | 24.9 | -9.1 | 0 | 0 | 0 | 110.9 | ||||
| 13 | A | 35.4 | Very low | 44.2 | Very low | 100 Ų | 100 | 135.1 Ų | 135.1 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 121.9 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 14 | A | 40.2 | Very low | 44.1 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 90% | 0.901 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -82 | 117.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 15 | A | 39.9 | Very low | 43.9 | Very low | 81 Ų | 81 | 126.3 Ų | 126.3 | 67% | 0.669 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 144.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 16 | L | 41.1 | Very low | 43.5 | Very low | 154 Ų | 154 | 125.6 Ų | 125.6 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | trans | 70.8 | 106.5 | 151.1 | -55.3 | 160 | 0 | 0 | 0 | 118.1 | ||||
| 17 | N | 42.7 | Very low | 43.5 | Very low | 160 Ų | 160 | 124.8 Ų | 124.8 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | 177.6 | 119.6 | 100.4 | -97.7 | -77.9 | 0 | 0 | 0 | 110.2 | |||||
| 18 | A | 40.8 | Very low | 43.2 | Very low | 102 Ų | 102 | 120 Ų | 120 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -111.7 | 113.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 19 | A | 37 | Very low | 43.4 | Very low | 107 Ų | 107 | 124.2 Ų | 124.2 | 88% | 0.884 | 80% | 0.798 | S | S | * | * | trans | 167.2 | 129.8 | 151.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 20 | G | 33.8 | Very low | 43.7 | Very low | 75 Ų | 75 | 123.5 Ų | 123.5 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | 140.8 | 91.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 21 | S | 46.6 | Very low | 44.2 | Very low | 111 Ų | 111 | 118 Ų | 118 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -24.3 | 138.4 | 146.9 | -44.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 22 | V | 36.5 | Very low | 44.3 | Very low | 137 Ų | 137 | 113.2 Ų | 113.2 | 83% | 0.83 | 76% | 0.758 | S | S | * | * | 173.1 | 130.6 | 109.6 | -85.3 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 23 | H | 49.4 | Very low | 44.5 | Very low | 179 Ų | 179 | 113.6 Ų | 113.6 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | trans | -57.2 | 138.6 | 166.4 | -144.3 | 108.1 | 0 | 0 | 0 | 109.6 | ||||
| 24 | S | 38.2 | Very low | 45.2 | Very low | 110 Ų | 110 | 117.3 Ų | 117.3 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | trans | -151.9 | 146.7 | 152.4 | -89.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 25 | P | 55.5 | Low | 45.8 | Very low | 103 Ų | 103 | 119.7 Ų | 119.7 | 67% | 0.669 | 73% | 0.728 | S | S | * | * | trans | -104.1 | 171.5 | -155.3 | 18.9 | 3.1 | 0 | 0 | 0 | 112.1 | ||||
| 26 | S | 47 | Very low | 46.5 | Very low | 113 Ų | 113 | 122.6 Ų | 122.6 | 79% | 0.79 | 73% | 0.728 | S | S | * | * | trans | 76.1 | 89.5 | 159.4 | -59.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 27 | T | 48.5 | Very low | 47.2 | Very low | 140 Ų | 140 | 121.5 Ų | 121.5 | 86% | 0.859 | 72% | 0.722 | S | S | * | * | -155.1 | 115.2 | 121.9 | -29.6 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 28 | S | 44.3 | Very low | 47.8 | Very low | 72 Ų | 72 | 118.8 Ų | 118.8 | 50% | 0.503 | 71% | 0.708 | S | S | . | * | trans | 147.5 | 76.5 | 148.2 | -65.2 | 0 | 0 | 0 | 0 | 110.7 | A30 S31 | S28-A30 PolarHBondContact O-N 3.28Å; S28-S31 PolarHBondContact O-N 2.9Å; S28-S31 VanDerWaalsContact O-N 3.08Å; S28-S31 PolarHBondContact O-OG 3.48Å | ||
| 29 | M | 53.2 | Low | 48.5 | Very low | 184 Ų | 184 | 117.7 Ų | 117.7 | 91% | 0.906 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | -9.5 | 165.2 | -80.4 | -81.6 | -168 | 0 | 0 | 113.5 | ||
| 30 | A | 50.4 | Low | 49.4 | Very low | 82 Ų | 82 | 119.6 Ų | 119.6 | 68% | 0.678 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -19.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | S28 | S28-A30 PolarHBondContact O-N 3.28Š|
| 31 | S | 49.3 | Very low | 50.5 | Low | 70 Ų | 70 | 125.7 Ų | 125.7 | 49% | 0.49 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -85.6 | -25.8 | -178.1 | 78.9 | 0 | 0 | 0 | 0 | 113 | S28 Q33 Y34 R35 | S28-S31 PolarHBondContact O-N 2.9Å; S28-S31 VanDerWaalsContact O-N 3.08Å; S28-S31 PolarHBondContact O-OG 3.48Å; S31-Q33 VanDerWaalsContact C-N 3.35Å; S31-Q33 PolarHBondContact O-N 3.47Å; S31-Y34 PolarHBondContact O-N 2.99Å; S31-R35 PolarHBondContact O-N 3.47Å |
| 32 | S | 51.3 | Low | 51.4 | Low | 66 Ų | 66 | 122.7 Ų | 122.7 | 46% | 0.462 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -64.1 | -38.6 | 178.2 | -45.1 | 0 | 0 | 0 | 0 | 112.2 | Y34 R35 Q36 | S32-Y34 VanDerWaalsContact C-N 3.34Å; S32-Y34 PolarHBondContact O-N 3.27Å; S32-R35 PolarHBondContact O-N 3.38Å; S32-Q36 WeakPolarHBondContact O-CG 3.49Å; S32-Q36 PolarHBondContact O-N 2.96Å |
| 33 | Q | 53.3 | Low | 52.4 | Low | 130 Ų | 130 | 121.5 Ų | 121.5 | 61% | 0.607 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -65.8 | -36.5 | 180 | -63.7 | -62 | 91.2 | 0 | 0 | 111.9 | S31 L37 | S31-Q33 VanDerWaalsContact C-N 3.35Å; S31-Q33 PolarHBondContact O-N 3.47Å; Q33-L37 WeakPolarHBondContact O-CG 3.43Å; Q33-L37 PolarHBondContact O-N 3.44Å |
| 34 | Y | 50.1 | Low | 52.9 | Low | 178 Ų | 178 | 118.8 Ų | 118.8 | 70% | 0.698 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -77.2 | -32.8 | -179.3 | -135.4 | -90.5 | 0 | 0 | 0 | 112.7 | S31 S32 L38 | S31-Y34 PolarHBondContact O-N 2.99Å; S32-Y34 VanDerWaalsContact C-N 3.34Å; S32-Y34 PolarHBondContact O-N 3.27Å; Y34-L38 PolarHBondContact O-N 3.06Å |
| 35 | R | 53.1 | Low | 54.1 | Low | 159 Ų | 159 | 119.2 Ų | 119.2 | 60% | 0.6 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -69.3 | -33.7 | 174.4 | -84.3 | -98.6 | 66.3 | 141.5 | -0.8 | 112.7 | S31 S32 S39 | S31-R35 PolarHBondContact O-N 3.47Å; S32-R35 PolarHBondContact O-N 3.38Å; R35-S39 WeakPolarHBondContact O-CB 3.33Å; R35-S39 PolarHBondContact O-N 2.91Å |
| 36 | Q | 54.7 | Low | 54 | Low | 143 Ų | 143 | 121.6 Ų | 121.6 | 67% | 0.668 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -68.3 | -44.3 | 174 | -73.5 | -70 | -72.5 | 0 | 0 | 111.5 | S32 L38 S39 | S32-Q36 WeakPolarHBondContact O-CG 3.49Å; S32-Q36 PolarHBondContact O-N 2.96Å; Q36-L38 VanDerWaalsContact C-N 3.29Å; Q36-L38 PolarHBondContact O-N 2.94Å; Q36-S39 PolarHBondContact O-N 3.14Å |
| 37 | L | 56 | Low | 54.1 | Low | 130 Ų | 130 | 119.3 Ų | 119.3 | 68% | 0.681 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -66.6 | -26.5 | -179.6 | -69.5 | 172.4 | 0 | 0 | 0 | 114.1 | Q33 | Q33-L37 WeakPolarHBondContact O-CG 3.43Å; Q33-L37 PolarHBondContact O-N 3.44Å |
| 38 | L | 55.8 | Low | 54.1 | Low | 104 Ų | 104 | 120.9 Ų | 120.9 | 55% | 0.545 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -90.8 | -19.7 | 177.3 | -170.6 | 59.5 | 0 | 0 | 0 | 113.4 | Y34 Q36 D40 | Y34-L38 PolarHBondContact O-N 3.06Å; Q36-L38 VanDerWaalsContact C-N 3.29Å; Q36-L38 PolarHBondContact O-N 2.94Å; L38-D40 VanDerWaalsContact C-N 3.29Å; L38-D40 PolarHBondContact O-N 2.76Å |
| 39 | S | 55.7 | Low | 54.2 | Low | 79 Ų | 79 | 123.9 Ų | 123.9 | 55% | 0.552 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -75.9 | -16.2 | -178.9 | -111.6 | 0 | 0 | 0 | 0 | 113.9 | R35 Q36 Y41 G42 | R35-S39 WeakPolarHBondContact O-CB 3.33Å; R35-S39 PolarHBondContact O-N 2.91Å; Q36-S39 PolarHBondContact O-N 3.14Å; S39-Y41 VanDerWaalsContact C-N 3.29Å; S39-Y41 PolarHBondContact O-N 2.87Å; S39-G42 PolarHBondContact O-N 3.04Å |
| 40 | D | 55.7 | Low | 53.9 | Low | 146 Ų | 146 | 124 Ų | 124 | 78% | 0.781 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -16.1 | -178.8 | -147.9 | -111.2 | 0 | 0 | 0 | 113.1 | L38 G42 | L38-D40 VanDerWaalsContact C-N 3.29Å; L38-D40 PolarHBondContact O-N 2.76Å; D40-G42 VanDerWaalsContact C-N 3.26Å; D40-G42 PolarHBondContact O-N 3.23Å |
| 41 | Y | 56.9 | Low | 53.4 | Low | 203 Ų | 203 | 122.7 Ų | 122.7 | 80% | 0.796 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | 31.1 | 172.2 | -70.3 | -85.8 | 0 | 0 | 0 | 112.7 | S39 | S39-Y41 VanDerWaalsContact C-N 3.29Å; S39-Y41 PolarHBondContact O-N 2.87Å |
| 42 | G | 63.7 | Low | 53.3 | Low | 48 Ų | 48 | 126.3 Ų | 126.3 | 50% | 0.495 | 69% | 0.693 | S | S | . | * | trans | -58.2 | 138.3 | 167 | 0 | 0 | 0 | 0 | 0 | 110 | S39 D40 | S39-G42 PolarHBondContact O-N 3.04Å; D40-G42 VanDerWaalsContact C-N 3.26Å; D40-G42 PolarHBondContact O-N 3.23Å | ||
| 43 | P | 59.3 | Low | 52.7 | Low | 113 Ų | 113 | 125.2 Ų | 125.2 | 73% | 0.734 | 69% | 0.692 | S | S | * | * | trans | -56.6 | 137.3 | -176.6 | 23.3 | -32.9 | 0 | 0 | 0 | 109.8 | S45 | P43-S45 PolarHBondContact O-N 3.23Š| ||
| 44 | P | 59.8 | Low | 52.2 | Low | 122 Ų | 122 | 126.8 Ų | 126.8 | 79% | 0.792 | 71% | 0.705 | S | S | * | * | trans | -58.4 | 114 | 174.7 | 25.1 | -31.2 | 0 | 0 | 0 | 106.9 | L46 | P44-L46 PolarHBondContact O-N 3.44Š| ||
| 45 | S | 62.1 | Low | 52 | Low | 118 Ų | 118 | 123.3 Ų | 123.3 | 83% | 0.825 | 71% | 0.707 | S | S | * | * | trans | -57.5 | 126.3 | 170.5 | -67.6 | 0 | 0 | 0 | 0 | 106.7 | P43 G47 | P43-S45 PolarHBondContact O-N 3.23Å; S45-G47 PolarHBondContact O-N 3.27Å | ||
| 46 | L | 54.5 | Low | 51.7 | Low | 153 Ų | 153 | 121.9 Ų | 121.9 | 80% | 0.801 | 71% | 0.707 | S | S | * | * | trans | -68.8 | 61.8 | -175.5 | -145.8 | 81.2 | 0 | 0 | 0 | 110.4 | P44 Y48 | P44-L46 PolarHBondContact O-N 3.44Å; L46-Y48 HydrophobicContact CD2-CD1 4.28Å; L46-Y48 HydrophobicContact CD2-CE1 3.87Å; L46-Y48 HydrophobicContact CG-CD1 4.06Å; L46-Y48 HydrophobicContact CG-CE1 4.13Å; L46-Y48 PolarHBondContact O-N 3.38Å | ||
| 47 | G | 49.1 | Very low | 51.6 | Low | 66 Ų | 66 | 118.9 Ų | 118.9 | 68% | 0.68 | 70% | 0.698 | S | S | * | * | trans | -89.5 | 70.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | S45 T49 | S45-G47 PolarHBondContact O-N 3.27Å; G47-T49 VanDerWaalsContact C-N 3.35Å; G47-T49 PolarHBondContact O-N 3.21Å; G47-T49 VanDerWaalsContact O-N 3.13Å | ||
| 48 | Y | 48 | Very low | 51.7 | Low | 173 Ų | 173 | 114.4 Ų | 114.4 | 68% | 0.678 | 68% | 0.677 | S | S | * | * | trans | -78.8 | 90.7 | 165.9 | 53.8 | -84.8 | 0 | 0 | 0 | 108.4 | L46 Q50 | L46-Y48 HydrophobicContact CD2-CD1 4.28Å; L46-Y48 HydrophobicContact CD2-CE1 3.87Å; L46-Y48 HydrophobicContact CG-CD1 4.06Å; L46-Y48 HydrophobicContact CG-CE1 4.13Å; L46-Y48 PolarHBondContact O-N 3.38Å; Y48-Q50 PolarHBondContact O-N 3.31Å | ||
| 49 | T | 46.1 | Very low | 52 | Low | 135 Ų | 135 | 115.4 Ų | 115.4 | 83% | 0.828 | 68% | 0.679 | S | S | * | * | trans | -67.4 | 113.3 | 151.7 | 48.5 | 0 | 0 | 0 | 0 | 106.9 | G47 G51 | G47-T49 VanDerWaalsContact C-N 3.35Å; G47-T49 PolarHBondContact O-N 3.21Å; G47-T49 VanDerWaalsContact O-N 3.13Å; T49-G51 VanDerWaalsContact C-N 3.33Å; T49-G51 PolarHBondContact O-N 3.47Å | ||
| 50 | Q | 47.2 | Very low | 53.3 | Low | 185 Ų | 185 | 115.3 Ų | 115.3 | 86% | 0.864 | 68% | 0.678 | S | S | * | * | trans | -62 | 89.2 | 178 | -176.4 | 164.9 | 45 | 0 | 0 | 110.2 | Y48 | Y48-Q50 PolarHBondContact O-N 3.31Š| ||
| 51 | G | 39.9 | Very low | 54.8 | Low | 56 Ų | 56 | 110 Ų | 110 | 58% | 0.577 | 65% | 0.648 | S | S | * | * | trans | -83.4 | 108.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | T49 G53 | T49-G51 VanDerWaalsContact C-N 3.33Å; T49-G51 PolarHBondContact O-N 3.47Å; G51-G53 PolarHBondContact O-N 3.38Å | ||
| 52 | T | 46.8 | Very low | 56.4 | Low | 145 Ų | 145 | 107.2 Ų | 107.2 | 89% | 0.89 | 64% | 0.637 | S | S | * | * | trans | -50.1 | 112.9 | 166.9 | 41.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 53 | G | 39.2 | Very low | 57.8 | Low | 43 Ų | 43 | 107.4 Ų | 107.4 | 44% | 0.443 | 63% | 0.634 | S | S | . | * | trans | -164.5 | 111.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | G51 S55 | G51-G53 PolarHBondContact O-N 3.38Å; G53-S55 PolarHBondContact O-N 3.47Å | ||
| 54 | N | 42.4 | Very low | 59.5 | Low | 164 Ų | 164 | 106.1 Ų | 106.1 | 88% | 0.877 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -69.1 | 46.2 | -172.3 | -72.9 | 5.9 | 0 | 0 | 0 | 114.4 | ||
| 55 | S | 45.4 | Very low | 61.3 | Low | 105 Ų | 105 | 102 Ų | 102 | 73% | 0.734 | 59% | 0.589 | S | S | * | * | trans | -142.5 | 32.6 | 171.8 | -59 | 0 | 0 | 0 | 0 | 110.8 | G53 V57 | G53-S55 PolarHBondContact O-N 3.47Å; S55-V57 PolarHBondContact O-N 3.45Å | ||
| 56 | Q | 47.7 | Very low | 62.9 | Low | 129 Ų | 129 | 100.3 Ų | 100.3 | 60% | 0.603 | 57% | 0.57 | S | S | * | * | trans | -71.3 | 97.8 | 166.6 | -68.5 | -172.4 | -54.9 | 0 | 0 | 107.4 | P58 | Q56-P58 VanDerWaalsContact O-N 3.12Š| ||
| 57 | V | 52.2 | Low | 64.9 | Low | 79 Ų | 79 | 95.7 Ų | 95.7 | 48% | 0.479 | 55% | 0.554 | S | S | . | * | trans | -43.7 | 122.8 | 141.7 | -179.2 | 0 | 0 | 0 | 0 | 104.3 | S55 Q59 | S55-V57 PolarHBondContact O-N 3.45Å; V57-Q59 PolarHBondContact O-N 3.47Å | ||
| 58 | P | 57.6 | Low | 67.3 | Low | 37 Ų | 37 | 93.4 Ų | 93.4 | 24% | 0.24 | 53% | 0.526 | C | S | . | . | trans | -50.2 | 111.5 | -171.9 | -27.1 | 32.6 | 0 | 0 | 0 | 107.5 | Q56 S60 K61 E107 | Q56-P58 VanDerWaalsContact O-N 3.12Å; P58-S60 VanDerWaalsContact CB-OG 3.27Å; P58-S60 WeakPolarHBondContact CB-OG 3.49Å; P58-S60 CarbonylContact O-C 3.54Å; P58-S60 PolarHBondContact O-N 3.08Å; P58-K61 HydrophobicContact CB-CD 4.46Å; P58-K61 HydrophobicContact CB-CG 4.2Å; P58-K61 HydrophobicContact CG-CD 4.25Å; P58-K61 PolarHBondContact O-N 3.44Å; P58-E107 WeakPolarHBondContact CD-OE1 3.24Å; P58-E107 WeakPolarHBondContact CG-OE1 3.47Å | ||
| 59 | Q | 63.1 | Low | 69.6 | Low | 124 Ų | 124 | 89.6 Ų | 89.6 | 58% | 0.579 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -57.2 | -24.1 | -172.6 | -173.8 | 166.7 | -23 | 0 | 0 | 110 | V57 A63 | V57-Q59 PolarHBondContact O-N 3.47Å; Q59-A63 WeakPolarHBondContact O-CB 3.5Å; Q59-A63 PolarHBondContact O-N 3.25Å |
| 60 | S | 81.7 | Confident | 72.1 | Confident | 77 Ų | 77 | 89 Ų | 89 | 54% | 0.538 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -54.6 | -49.5 | 165.5 | 46.9 | 0 | 0 | 0 | 0 | 114.9 | P58 A63 E64 | P58-S60 VanDerWaalsContact CB-OG 3.27Å; P58-S60 WeakPolarHBondContact CB-OG 3.49Å; P58-S60 CarbonylContact O-C 3.54Å; P58-S60 PolarHBondContact O-N 3.08Å; S60-A63 PolarHBondContact O-N 3.17Å; S60-E64 VanDerWaalsContact O-CB 3.23Å; S60-E64 WeakPolarHBondContact O-CB 3.32Å; S60-E64 PolarHBondContact O-N 2.99Å |
| 61 | K | 88.5 | Confident | 74.5 | Confident | 35 Ų | 35 | 85 Ų | 85 | 15% | 0.152 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -66.4 | -39.8 | -179.1 | -71.5 | -176.6 | -180 | 172.4 | 0 | 112 | P58 L65 L100 E107 | P58-K61 HydrophobicContact CB-CD 4.46Å; P58-K61 HydrophobicContact CB-CG 4.2Å; P58-K61 HydrophobicContact CG-CD 4.25Å; P58-K61 PolarHBondContact O-N 3.44Å; K61-L65 WeakPolarHBondContact O-CB 3.48Å; K61-L65 PolarHBondContact O-N 2.8Å; K61-L100 HydrophobicContact CB-CD1 4.33Å; K61-L100 HydrophobicContact CG-CD1 4.17Å; K61-L100 WeakPolarHBondContact O-CD2 3.28Å; K61-E107 IonicContact NZ-OE1 3.45Å; K61-E107 PolarHBondContact NZ-OE1 3.37Å; K61-E107 IonicContact NZ-OE2 3.53Å; K61-E107 PolarHBondContact NZ-OE2 3.48Å; K61-E107 VanDerWaalsContact NZ-OE2 3.16Å |
| 62 | Y | 90.5 | Very high | 77.3 | Confident | 144 Ų | 144 | 83.7 Ų | 83.7 | 57% | 0.565 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -68.1 | -44.4 | 175.1 | -179.8 | -105.1 | 0 | 0 | 0 | 111.6 | E64 L65 L66 | Y62-E64 VanDerWaalsContact C-N 3.33Å; Y62-E64 PolarHBondContact O-N 3.42Å; Y62-L65 PolarHBondContact O-N 3.01Å; Y62-L66 HydrophobicContact CD1-CD1 3.96Å; Y62-L66 HydrophobicContact CD1-CG 4.41Å; Y62-L66 HydrophobicContact CE1-CD1 3.43Å; Y62-L66 VanDerWaalsContact CE1-CD1 3.43Å; Y62-L66 HydrophobicContact CE1-CG 4.03Å; Y62-L66 HydrophobicContact CE2-CG 4.5Å; Y62-L66 WeakPolarHBondContact O-CG 3.46Å; Y62-L66 PolarHBondContact O-N 3.28Å |
| 63 | A | 92.6 | Very high | 79.8 | Confident | 52 Ų | 52 | 79.1 Ų | 79.1 | 43% | 0.43 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q59 S60 L66 A67 | Q59-A63 WeakPolarHBondContact O-CB 3.5Å; Q59-A63 PolarHBondContact O-N 3.25Å; S60-A63 PolarHBondContact O-N 3.17Å; A63-L66 PolarHBondContact O-N 3.47Å; A63-A67 PolarHBondContact O-N 2.99Å |
| 64 | E | 95.3 | Very high | 82.6 | Confident | 86 Ų | 86 | 82.2 Ų | 82.2 | 40% | 0.402 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 175.3 | -177.6 | 171.5 | -167.1 | 0 | 0 | 111.6 | S60 Y62 L66 A67 I68 H96 L100 | S60-E64 VanDerWaalsContact O-CB 3.23Å; S60-E64 WeakPolarHBondContact O-CB 3.32Å; S60-E64 PolarHBondContact O-N 2.99Å; Y62-E64 VanDerWaalsContact C-N 3.33Å; Y62-E64 PolarHBondContact O-N 3.42Å; E64-L66 VanDerWaalsContact C-N 3.34Å; E64-L66 PolarHBondContact O-N 3.16Å; E64-A67 PolarHBondContact O-N 3.13Å; E64-I68 HydrophobicContact CG-CD1 4.2Å; E64-I68 VanDerWaalsContact O-CG1 3.31Å; E64-I68 WeakPolarHBondContact O-CG1 3.39Å; E64-I68 PolarHBondContact O-N 3.05Å; E64-H96 IonicContact OE1-CE1 2.69Å; E64-H96 PolarHBondContact OE1-CE1 2.9Å; E64-H96 IonicContact OE1-NE2 3.16Å; E64-L100 HydrophobicContact CB-CD2 4.08Å; E64-L100 HydrophobicContact CG-CD2 3.92Å |
| 65 | L | 96.8 | Very high | 85.3 | Confident | 35 Ų | 35 | 76.1 Ų | 76.1 | 18% | 0.183 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 175.5 | -174.1 | 61.6 | 0 | 0 | 0 | 111.8 | K61 Y62 A67 I68 I69 A97 L100 V101 | K61-L65 WeakPolarHBondContact O-CB 3.48Å; K61-L65 PolarHBondContact O-N 2.8Å; Y62-L65 PolarHBondContact O-N 3.01Å; L65-A67 VanDerWaalsContact C-N 3.33Å; L65-A67 PolarHBondContact O-N 3.48Å; L65-I68 PolarHBondContact O-N 3.48Å; L65-I69 HydrophobicContact CD1-CD1 4.46Å; L65-I69 HydrophobicContact CG-CD1 4.05Å; L65-I69 VanDerWaalsContact O-CG1 3.29Å; L65-I69 WeakPolarHBondContact O-CG1 3.45Å; L65-I69 PolarHBondContact O-N 2.92Å; L65-A97 HydrophobicContact CD1-CB 3.76Å; L65-L100 HydrophobicContact CB-CD2 3.83Å; L65-L100 HydrophobicContact CD1-CD2 4.3Å; L65-V101 HydrophobicContact CD1-CG2 4.1Å; L65-V101 HydrophobicContact CD2-CG2 3.89Å |
| 66 | L | 96.6 | Very high | 87.8 | Confident | 83 Ų | 83 | 74.5 Ų | 74.5 | 44% | 0.435 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 175.6 | -70.8 | 179.6 | 0 | 0 | 0 | 111.7 | Y62 A63 E64 I68 I69 E70 | Y62-L66 HydrophobicContact CD1-CD1 3.96Å; Y62-L66 HydrophobicContact CD1-CG 4.41Å; Y62-L66 HydrophobicContact CE1-CD1 3.43Å; Y62-L66 VanDerWaalsContact CE1-CD1 3.43Å; Y62-L66 HydrophobicContact CE1-CG 4.03Å; Y62-L66 HydrophobicContact CE2-CG 4.5Å; Y62-L66 WeakPolarHBondContact O-CG 3.46Å; Y62-L66 PolarHBondContact O-N 3.28Å; A63-L66 PolarHBondContact O-N 3.47Å; E64-L66 VanDerWaalsContact C-N 3.34Å; E64-L66 PolarHBondContact O-N 3.16Å; L66-I68 PolarHBondContact O-N 3.34Å; L66-I69 PolarHBondContact O-N 3.21Å; L66-E70 PolarHBondContact O-N 2.69Å |
| 67 | A | 97.2 | Very high | 90.2 | Very high | 56 Ų | 56 | 78.7 Ų | 78.7 | 46% | 0.463 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A63 E64 L65 I69 E70 E71 | A63-A67 PolarHBondContact O-N 2.99Å; E64-A67 PolarHBondContact O-N 3.13Å; L65-A67 VanDerWaalsContact C-N 3.33Å; L65-A67 PolarHBondContact O-N 3.48Å; A67-I69 VanDerWaalsContact C-N 3.33Å; A67-I69 PolarHBondContact O-N 3.13Å; A67-E70 PolarHBondContact O-N 3.28Å; A67-E71 WeakPolarHBondContact O-CG 3.43Å; A67-E71 PolarHBondContact O-N 3.28Å |
| 68 | I | 97.9 | Very high | 92.4 | Very high | 18 Ų | 18 | 77.2 Ų | 77.2 | 9% | 0.092 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 175.9 | -64.1 | 161.6 | 0 | 0 | 0 | 110.7 | E64 L65 L66 E70 E71 L72 G93 H96 A97 L100 | E64-I68 HydrophobicContact CG-CD1 4.2Å; E64-I68 VanDerWaalsContact O-CG1 3.31Å; E64-I68 WeakPolarHBondContact O-CG1 3.39Å; E64-I68 PolarHBondContact O-N 3.05Å; L65-I68 PolarHBondContact O-N 3.48Å; L66-I68 PolarHBondContact O-N 3.34Å; I68-E70 VanDerWaalsContact C-N 3.35Å; I68-E70 PolarHBondContact O-N 3.25Å; I68-E71 PolarHBondContact O-N 2.76Å; I68-L72 HydrophobicContact CG2-CD1 3.99Å; I68-L72 HydrophobicContact CG2-CG 4.22Å; I68-L72 WeakPolarHBondContact O-CB 3.39Å; I68-L72 VanDerWaalsContact O-CG 3.24Å; I68-L72 WeakPolarHBondContact O-CG 3.36Å; I68-L72 PolarHBondContact O-N 3.25Å; I68-G93 WeakPolarHBondContact CG2-O 3.31Å; I68-H96 HydrophobicContact CD1-CB 4.46Å; I68-H96 VanDerWaalsContact CD1-ND1 3.34Å; I68-H96 WeakPolarHBondContact CD1-ND1 3.38Å; I68-A97 HydrophobicContact CG2-CB 3.93Å; I68-L100 HydrophobicContact CD1-CD2 4Å |
| 69 | I | 97.9 | Very high | 94.4 | Very high | 93 Ų | 93 | 76.6 Ų | 76.6 | 48% | 0.477 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 179 | -68.9 | 165.1 | 0 | 0 | 0 | 111.1 | L65 L66 A67 L72 G73 | L65-I69 HydrophobicContact CD1-CD1 4.46Å; L65-I69 HydrophobicContact CG-CD1 4.05Å; L65-I69 VanDerWaalsContact O-CG1 3.29Å; L65-I69 WeakPolarHBondContact O-CG1 3.45Å; L65-I69 PolarHBondContact O-N 2.92Å; L66-I69 PolarHBondContact O-N 3.21Å; A67-I69 VanDerWaalsContact C-N 3.33Å; A67-I69 PolarHBondContact O-N 3.13Å; I69-L72 PolarHBondContact O-N 3.34Å; I69-G73 PolarHBondContact O-N 3.47Å; I69-G73 VanDerWaalsContact O-N 3.09Å |
| 70 | E | 97.9 | Very high | 96.1 | Very high | 122 Ų | 122 | 80.3 Ų | 80.3 | 57% | 0.57 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -61 | -46.3 | 176.9 | -166.9 | -171.3 | 96.1 | 0 | 0 | 111.5 | L66 A67 I68 G73 K74 | L66-E70 PolarHBondContact O-N 2.69Å; A67-E70 PolarHBondContact O-N 3.28Å; I68-E70 VanDerWaalsContact C-N 3.35Å; I68-E70 PolarHBondContact O-N 3.25Å; E70-G73 PolarHBondContact O-N 3.03Å; E70-K74 PolarHBondContact O-N 3.3Å; E70-K74 IonicContact OE1-NZ 3.7Å; E70-K74 PolarHBondContact OE1-NZ 3.47Å |
| 71 | E | 98.1 | Very high | 96.9 | Very high | 101 Ų | 101 | 80.9 Ų | 80.9 | 47% | 0.472 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 177.4 | -71.5 | -64.5 | 101.8 | 0 | 0 | 112 | A67 I68 G73 K74 E75 | A67-E71 WeakPolarHBondContact O-CG 3.43Å; A67-E71 PolarHBondContact O-N 3.28Å; I68-E71 PolarHBondContact O-N 2.76Å; E71-G73 VanDerWaalsContact C-N 3.25Å; E71-G73 PolarHBondContact O-N 2.99Å; E71-K74 WeakPolarHBondContact O-CB 3.26Å; E71-K74 PolarHBondContact O-N 3.39Å; E71-K74 VanDerWaalsContact O-N 3.11Å; E71-K74 WeakPolarHBondContact OE1-CD 3.35Å; E71-K74 WeakPolarHBondContact OE1-CE 3.35Å; E71-K74 IonicContact OE1-NZ 3.93Å; E71-K74 PolarHBondContact OE1-NZ 3.03Å; E71-E75 PolarHBondContact O-N 2.96Å |
| 72 | L | 98.6 | Very high | 97.3 | Very high | 29 Ų | 29 | 81.9 Ų | 81.9 | 15% | 0.152 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -58 | -39.8 | 175.3 | -74.2 | 174.7 | 0 | 0 | 0 | 111.7 | I68 I69 K74 E75 I76 L90 I94 | I68-L72 HydrophobicContact CG2-CD1 3.99Å; I68-L72 HydrophobicContact CG2-CG 4.22Å; I68-L72 WeakPolarHBondContact O-CB 3.39Å; I68-L72 VanDerWaalsContact O-CG 3.24Å; I68-L72 WeakPolarHBondContact O-CG 3.36Å; I68-L72 PolarHBondContact O-N 3.25Å; I69-L72 PolarHBondContact O-N 3.34Å; L72-K74 VanDerWaalsContact C-N 3.29Å; L72-K74 PolarHBondContact O-N 3.31Å; L72-E75 PolarHBondContact O-N 3.28Å; L72-I76 WeakPolarHBondContact O-CG1 3.46Å; L72-I76 PolarHBondContact O-N 3.19Å; L72-L90 HydrophobicContact CB-CD1 4.3Å; L72-L90 HydrophobicContact CD2-CD1 3.67Å; L72-L90 HydrophobicContact CD2-CG 4.31Å; L72-L90 WeakPolarHBondContact CD2-O 3.44Å; L72-L90 WeakPolarHBondContact O-CD1 3.24Å; L72-I94 HydrophobicContact CD1-CG1 4.17Å; L72-I94 HydrophobicContact CD2-CG1 4.05Å |
| 73 | G | 98.4 | Very high | 97.7 | Very high | 49 Ų | 49 | 76.9 Ų | 76.9 | 51% | 0.505 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.9 | -36.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | I69 E70 E71 E75 | I69-G73 PolarHBondContact O-N 3.47Å; I69-G73 VanDerWaalsContact O-N 3.09Å; E70-G73 PolarHBondContact O-N 3.03Å; E71-G73 VanDerWaalsContact C-N 3.25Å; E71-G73 PolarHBondContact O-N 2.99Å; G73-E75 VanDerWaalsContact C-N 3.32Å; G73-E75 PolarHBondContact O-N 3.1Å |
| 74 | K | 98.4 | Very high | 98 | Very high | 108 Ų | 108 | 83 Ų | 83 | 47% | 0.47 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.6 | -32.7 | 177.8 | -63 | 170.5 | -168.2 | 162 | 0 | 111.8 | E70 E71 L72 P78 | E70-K74 PolarHBondContact O-N 3.3Å; E70-K74 IonicContact OE1-NZ 3.7Å; E70-K74 PolarHBondContact OE1-NZ 3.47Å; E71-K74 WeakPolarHBondContact O-CB 3.26Å; E71-K74 PolarHBondContact O-N 3.39Å; E71-K74 VanDerWaalsContact O-N 3.11Å; E71-K74 WeakPolarHBondContact OE1-CD 3.35Å; E71-K74 WeakPolarHBondContact OE1-CE 3.35Å; E71-K74 IonicContact OE1-NZ 3.93Å; E71-K74 PolarHBondContact OE1-NZ 3.03Å; L72-K74 VanDerWaalsContact C-N 3.29Å; L72-K74 PolarHBondContact O-N 3.31Å; K74-P78 VanDerWaalsContact O-CD 3.24Å; K74-P78 WeakPolarHBondContact O-CD 3.21Å |
| 75 | E | 98.6 | Very high | 98.2 | Very high | 36 Ų | 36 | 81.5 Ų | 81.5 | 17% | 0.168 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -82 | -13 | -177 | -61.4 | -58.4 | 94.3 | 0 | 0 | 114.4 | E71 L72 G73 P78 T79 A86 R89 L90 | E71-E75 PolarHBondContact O-N 2.96Å; L72-E75 PolarHBondContact O-N 3.28Å; G73-E75 VanDerWaalsContact C-N 3.32Å; G73-E75 PolarHBondContact O-N 3.1Å; E75-P78 WeakPolarHBondContact O-CD 3.23Å; E75-T79 VanDerWaalsContact O-CB 3.28Å; E75-T79 WeakPolarHBondContact O-CB 3.27Å; E75-T79 PolarHBondContact O-N 3.32Å; E75-T79 PolarHBondContact O-OG1 2.96Å; E75-A86 WeakPolarHBondContact OE2-CA 3.5Å; E75-A86 WeakPolarHBondContact OE2-CB 3.5Å; E75-R89 HydrophobicContact CG-CB 4.04Å; E75-R89 WeakPolarHBondContact OE2-CB 3.29Å; E75-R89 WeakPolarHBondContact OE2-CD 3.5Å; E75-R89 IonicContact OE2-NH1 2.8Å; E75-L90 HydrophobicContact CB-CB 4.28Å; E75-L90 HydrophobicContact CB-CD1 4.03Å |
| 76 | I | 98.5 | Very high | 98.2 | Very high | 71 Ų | 71 | 80 Ų | 80 | 36% | 0.364 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.9 | -56.3 | -176.8 | -64.2 | -61.4 | 0 | 0 | 0 | 112.1 | L72 T79 Y80 L90 | L72-I76 WeakPolarHBondContact O-CG1 3.46Å; L72-I76 PolarHBondContact O-N 3.19Å; I76-T79 WeakPolarHBondContact O-CB 3.21Å; I76-T79 PolarHBondContact O-N 3.16Å; I76-Y80 HydrophobicContact CG2-CD2 3.76Å; I76-Y80 HydrophobicContact CG2-CE2 3.63Å; I76-Y80 VanDerWaalsContact O-CD2 3.26Å; I76-Y80 WeakPolarHBondContact O-CD2 3.26Å; I76-Y80 PolarHBondContact O-N 3.26Å; I76-Y80 VanDerWaalsContact O-N 3.1Å; I76-L90 HydrophobicContact CD1-CD1 3.7Å; I76-L90 HydrophobicContact CD1-CD2 4.18Å |
| 77 | R | 98.6 | Very high | 98.3 | Very high | 217 Ų | 217 | 79.7 Ų | 79.7 | 82% | 0.819 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.6 | -48.1 | -176.9 | -72.3 | 179.3 | 177 | -87.2 | 0.6 | 112.3 | T79 Y80 A81 | R77-T79 VanDerWaalsContact C-N 3.26Å; R77-T79 PolarHBondContact O-N 2.69Å; R77-Y80 PolarHBondContact O-N 2.98Å; R77-A81 PolarHBondContact O-N 3.48Å |
| 78 | P | 98.4 | Very high | 98.4 | Very high | 49 Ų | 49 | 81.7 Ų | 81.7 | 32% | 0.318 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.8 | -33.3 | 175.8 | -24.7 | 34.9 | 0 | 0 | 0 | 113.7 | K74 E75 A81 G82 S83 A86 | K74-P78 VanDerWaalsContact O-CD 3.24Å; K74-P78 WeakPolarHBondContact O-CD 3.21Å; E75-P78 WeakPolarHBondContact O-CD 3.23Å; P78-A81 CarbonylContact O-C 3.59Å; P78-A81 PolarHBondContact O-N 3Å; P78-G82 PolarHBondContact O-N 3.49Å; P78-S83 WeakPolarHBondContact O-CB 3.22Å; P78-S83 PolarHBondContact O-N 2.99Å; P78-A86 HydrophobicContact CB-CB 3.69Å |
| 79 | T | 98.7 | Very high | 98.4 | Very high | 23 Ų | 23 | 87.3 Ų | 87.3 | 14% | 0.141 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -65.4 | -45.3 | 176.3 | -62.1 | 0 | 0 | 0 | 0 | 111.5 | E75 I76 R77 A81 G82 M87 L90 | E75-T79 VanDerWaalsContact O-CB 3.28Å; E75-T79 WeakPolarHBondContact O-CB 3.27Å; E75-T79 PolarHBondContact O-N 3.32Å; E75-T79 PolarHBondContact O-OG1 2.96Å; I76-T79 WeakPolarHBondContact O-CB 3.21Å; I76-T79 PolarHBondContact O-N 3.16Å; R77-T79 VanDerWaalsContact C-N 3.26Å; R77-T79 PolarHBondContact O-N 2.69Å; T79-A81 PolarHBondContact O-N 3.23Å; T79-G82 PolarHBondContact O-N 3.35Å; T79-M87 HydrophobicContact CG2-CB 4.12Å; T79-M87 HydrophobicContact CG2-CE 4.17Å; T79-M87 PolarHBondContact OG1-N 3.45Å; T79-L90 HydrophobicContact CG2-CD2 4.13Å |
| 80 | Y | 98.5 | Very high | 98.5 | Very high | 202 Ų | 202 | 84.2 Ų | 84.2 | 79% | 0.792 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.8 | -27.7 | 174.8 | -77.8 | -68.2 | 0 | 0 | 0 | 113 | I76 R77 G82 | I76-Y80 HydrophobicContact CG2-CD2 3.76Å; I76-Y80 HydrophobicContact CG2-CE2 3.63Å; I76-Y80 VanDerWaalsContact O-CD2 3.26Å; I76-Y80 WeakPolarHBondContact O-CD2 3.26Å; I76-Y80 PolarHBondContact O-N 3.26Å; I76-Y80 VanDerWaalsContact O-N 3.1Å; R77-Y80 PolarHBondContact O-N 2.98Å; Y80-G82 PolarHBondContact O-N 3.45Å |
| 81 | A | 98.5 | Very high | 98.5 | Very high | 90 Ų | 90 | 84.1 Ų | 84.1 | 74% | 0.744 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | 2.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R77 P78 T79 | R77-A81 PolarHBondContact O-N 3.48Å; P78-A81 CarbonylContact O-C 3.59Å; P78-A81 PolarHBondContact O-N 3Å; T79-A81 PolarHBondContact O-N 3.23Å |
| 82 | G | 98.3 | Very high | 98.5 | Very high | 56 Ų | 56 | 85.8 Ų | 85.8 | 58% | 0.577 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | 13.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | P78 T79 Y80 K84 | P78-G82 PolarHBondContact O-N 3.49Å; T79-G82 PolarHBondContact O-N 3.35Å; Y80-G82 PolarHBondContact O-N 3.45Å; G82-K84 PolarHBondContact O-N 3.45Å |
| 83 | S | 98.6 | Very high | 98.5 | Very high | 39 Ų | 39 | 85.1 Ų | 85.1 | 27% | 0.273 | 43% | 0.431 | S | S | . | . | trans | -68.6 | 114.3 | 177.1 | 179.4 | 0 | 0 | 0 | 0 | 111.5 | P78 S85 A86 M87 | P78-S83 WeakPolarHBondContact O-CB 3.22Å; P78-S83 PolarHBondContact O-N 2.99Å; S83-S85 PolarHBondContact OG-OG 3.25Å; S83-A86 PolarHBondContact O-N 3.3Å; S83-A86 PolarHBondContact OG-N 2.99Å; S83-M87 WeakPolarHBondContact O-CB 3.26Å; S83-M87 PolarHBondContact O-N 2.76Å | ||
| 84 | K | 98.6 | Very high | 98.5 | Very high | 180 Ų | 180 | 87.2 Ų | 87.2 | 78% | 0.783 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.9 | -41.4 | 177.4 | -66.6 | -176.6 | -179.2 | 177.4 | 0 | 112.3 | G82 M87 E88 | G82-K84 PolarHBondContact O-N 3.45Å; K84-M87 WeakPolarHBondContact O-CB 3.33Å; K84-M87 PolarHBondContact O-N 2.94Å; K84-E88 PolarHBondContact O-N 3.46Å |
| 85 | S | 98.5 | Very high | 98.5 | Very high | 55 Ų | 55 | 87.1 Ų | 87.1 | 39% | 0.385 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.5 | -38.9 | -179.5 | 64 | 0 | 0 | 0 | 0 | 111.5 | S83 E88 R89 | S83-S85 PolarHBondContact OG-OG 3.25Å; S85-E88 PolarHBondContact O-N 3.41Å; S85-R89 WeakPolarHBondContact O-CG 3.48Å; S85-R89 PolarHBondContact O-N 3.46Å; S85-R89 PolarHBondContact OG-NH1 2.88Å |
| 86 | A | 98.5 | Very high | 98.5 | Very high | 2 Ų | 2 | 89.7 Ų | 89.7 | 2% | 0.017 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -67.4 | -40.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E75 P78 S83 E88 R89 L90 | E75-A86 WeakPolarHBondContact OE2-CA 3.5Å; E75-A86 WeakPolarHBondContact OE2-CB 3.5Å; P78-A86 HydrophobicContact CB-CB 3.69Å; S83-A86 PolarHBondContact O-N 3.3Å; S83-A86 PolarHBondContact OG-N 2.99Å; A86-E88 VanDerWaalsContact C-N 3.28Å; A86-E88 PolarHBondContact O-N 2.82Å; A86-R89 PolarHBondContact O-N 3.38Å; A86-L90 WeakPolarHBondContact O-CB 3.49Å; A86-L90 PolarHBondContact O-N 2.95Å |
| 87 | M | 98.5 | Very high | 98.5 | Very high | 78 Ų | 78 | 87 Ų | 87 | 38% | 0.384 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -57.1 | -42.8 | 172.9 | 177.9 | 176.3 | -68.1 | 0 | 0 | 112 | T79 S83 K84 L90 K91 | T79-M87 HydrophobicContact CG2-CB 4.12Å; T79-M87 HydrophobicContact CG2-CE 4.17Å; T79-M87 PolarHBondContact OG1-N 3.45Å; S83-M87 WeakPolarHBondContact O-CB 3.26Å; S83-M87 PolarHBondContact O-N 2.76Å; K84-M87 WeakPolarHBondContact O-CB 3.33Å; K84-M87 PolarHBondContact O-N 2.94Å; M87-L90 PolarHBondContact O-N 3.03Å; M87-K91 HydrophobicContact CG-CD 4.3Å; M87-K91 WeakPolarHBondContact O-CG 3.47Å; M87-K91 PolarHBondContact O-N 3.43Å |
| 88 | E | 98.7 | Very high | 98.5 | Very high | 97 Ų | 97 | 83.6 Ų | 83.6 | 45% | 0.453 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 177.2 | -76.4 | -160.4 | 78.8 | 0 | 0 | 112.6 | K84 S85 A86 L90 K91 R92 | K84-E88 PolarHBondContact O-N 3.46Å; S85-E88 PolarHBondContact O-N 3.41Å; A86-E88 VanDerWaalsContact C-N 3.28Å; A86-E88 PolarHBondContact O-N 2.82Å; E88-L90 VanDerWaalsContact C-N 3.32Å; E88-K91 PolarHBondContact O-N 3.3Å; E88-R92 WeakPolarHBondContact O-CB 3.42Å; E88-R92 WeakPolarHBondContact O-CG 3.4Å; E88-R92 PolarHBondContact O-N 2.94Å; E88-R92 IonicContact OE1-CZ 3.39Å; E88-R92 IonicContact OE1-NH1 3.9Å; E88-R92 PolarHBondContact OE1-NH1 2.97Å; E88-R92 IonicContact OE1-NH2 2.68Å; E88-R92 PolarHBondContact OE1-NH2 3.22Å; E88-R92 IonicContact OE2-NH2 2.82Å |
| 89 | R | 98.7 | Very high | 98.4 | Very high | 136 Ų | 136 | 82.6 Ų | 82.6 | 51% | 0.513 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61 | -43.5 | 174.7 | -70.9 | -171.3 | -171.3 | 90.6 | 0 | 111.3 | E75 S85 A86 K91 R92 G93 | E75-R89 HydrophobicContact CG-CB 4.04Å; E75-R89 WeakPolarHBondContact OE2-CB 3.29Å; E75-R89 WeakPolarHBondContact OE2-CD 3.5Å; E75-R89 IonicContact OE2-NH1 2.8Å; S85-R89 WeakPolarHBondContact O-CG 3.48Å; S85-R89 PolarHBondContact O-N 3.46Å; S85-R89 PolarHBondContact OG-NH1 2.88Å; A86-R89 PolarHBondContact O-N 3.38Å; R89-K91 PolarHBondContact O-N 3.1Å; R89-R92 PolarHBondContact O-N 3.02Å; R89-G93 PolarHBondContact O-N 3.45Å |
| 90 | L | 98.6 | Very high | 98.2 | Very high | 28 Ų | 28 | 81.8 Ų | 81.8 | 15% | 0.147 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59.1 | -48.5 | 176.6 | -167.4 | 74.5 | 0 | 0 | 0 | 111.4 | L72 E75 I76 T79 A86 M87 E88 R92 G93 I94 | L72-L90 HydrophobicContact CB-CD1 4.3Å; L72-L90 HydrophobicContact CD2-CD1 3.67Å; L72-L90 HydrophobicContact CD2-CG 4.31Å; L72-L90 WeakPolarHBondContact CD2-O 3.44Å; L72-L90 WeakPolarHBondContact O-CD1 3.24Å; E75-L90 HydrophobicContact CB-CB 4.28Å; E75-L90 HydrophobicContact CB-CD1 4.03Å; I76-L90 HydrophobicContact CD1-CD1 3.7Å; I76-L90 HydrophobicContact CD1-CD2 4.18Å; T79-L90 HydrophobicContact CG2-CD2 4.13Å; A86-L90 WeakPolarHBondContact O-CB 3.49Å; A86-L90 PolarHBondContact O-N 2.95Å; M87-L90 PolarHBondContact O-N 3.03Å; E88-L90 VanDerWaalsContact C-N 3.32Å; L90-R92 PolarHBondContact O-N 3.32Å; L90-G93 PolarHBondContact O-N 2.92Å; L90-I94 HydrophobicContact CG-CD1 4.17Å; L90-I94 WeakPolarHBondContact O-CD1 3.47Å; L90-I94 VanDerWaalsContact O-CG1 3.26Å; L90-I94 WeakPolarHBondContact O-CG1 3.46Å; L90-I94 PolarHBondContact O-N 3.19Å |
| 91 | K | 98.6 | Very high | 98.1 | Very high | 120 Ų | 120 | 75 Ų | 75 | 52% | 0.522 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.8 | -45.8 | 176.1 | -73.2 | 173.3 | -177.1 | 175.1 | 0 | 111.8 | M87 E88 R89 I94 I95 | M87-K91 HydrophobicContact CG-CD 4.3Å; M87-K91 WeakPolarHBondContact O-CG 3.47Å; M87-K91 PolarHBondContact O-N 3.43Å; E88-K91 PolarHBondContact O-N 3.3Å; R89-K91 PolarHBondContact O-N 3.1Å; K91-I94 PolarHBondContact O-N 3.49Å; K91-I95 WeakPolarHBondContact O-CD1 3.34Å; K91-I95 WeakPolarHBondContact O-CG1 3.45Å; K91-I95 PolarHBondContact O-N 3.31Å; K91-I95 VanDerWaalsContact O-N 3.1Å |
| 92 | R | 98.5 | Very high | 98 | Very high | 137 Ų | 137 | 78.1 Ų | 78.1 | 52% | 0.517 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 179.2 | -77.4 | -170.2 | -87.3 | -96 | 5.2 | 111.7 | E88 R89 L90 I94 I95 H96 | E88-R92 WeakPolarHBondContact O-CB 3.42Å; E88-R92 WeakPolarHBondContact O-CG 3.4Å; E88-R92 PolarHBondContact O-N 2.94Å; E88-R92 IonicContact OE1-CZ 3.39Å; E88-R92 IonicContact OE1-NH1 3.9Å; E88-R92 PolarHBondContact OE1-NH1 2.97Å; E88-R92 IonicContact OE1-NH2 2.68Å; E88-R92 PolarHBondContact OE1-NH2 3.22Å; E88-R92 IonicContact OE2-NH2 2.82Å; R89-R92 PolarHBondContact O-N 3.02Å; L90-R92 PolarHBondContact O-N 3.32Å; R92-I94 PolarHBondContact O-N 3.35Å; R92-I95 PolarHBondContact O-N 3.22Å; R92-H96 WeakPolarHBondContact O-CB 3.34Å; R92-H96 PolarHBondContact O-N 3.09Å |
| 93 | G | 98.3 | Very high | 97.8 | Very high | 15 Ų | 15 | 80.7 Ų | 80.7 | 16% | 0.155 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I68 R89 L90 H96 A97 | I68-G93 WeakPolarHBondContact CG2-O 3.31Å; R89-G93 PolarHBondContact O-N 3.45Å; L90-G93 PolarHBondContact O-N 2.92Å; G93-H96 PolarHBondContact O-N 3.39Å; G93-A97 WeakPolarHBondContact O-CB 3.38Å; G93-A97 PolarHBondContact O-N 3.36Å |
| 94 | I | 98.4 | Very high | 97.4 | Very high | 93 Ų | 93 | 80 Ų | 80 | 48% | 0.477 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.9 | -44 | 175.8 | -68.3 | 165.1 | 0 | 0 | 0 | 111.1 | L72 L90 K91 R92 H96 R98 | L72-I94 HydrophobicContact CD1-CG1 4.17Å; L72-I94 HydrophobicContact CD2-CG1 4.05Å; L90-I94 HydrophobicContact CG-CD1 4.17Å; L90-I94 WeakPolarHBondContact O-CD1 3.47Å; L90-I94 VanDerWaalsContact O-CG1 3.26Å; L90-I94 WeakPolarHBondContact O-CG1 3.46Å; L90-I94 PolarHBondContact O-N 3.19Å; K91-I94 PolarHBondContact O-N 3.49Å; R92-I94 PolarHBondContact O-N 3.35Å; I94-H96 VanDerWaalsContact C-N 3.33Å; I94-R98 WeakPolarHBondContact O-CB 3.48Å; I94-R98 PolarHBondContact O-N 3.39Å |
| 95 | I | 98.5 | Very high | 97.1 | Very high | 106 Ų | 106 | 76.5 Ų | 76.5 | 54% | 0.544 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 177.2 | -68.1 | 162.5 | 0 | 0 | 0 | 110.3 | K91 R92 R98 G99 | K91-I95 WeakPolarHBondContact O-CD1 3.34Å; K91-I95 WeakPolarHBondContact O-CG1 3.45Å; K91-I95 PolarHBondContact O-N 3.31Å; K91-I95 VanDerWaalsContact O-N 3.1Å; R92-I95 PolarHBondContact O-N 3.22Å; I95-R98 PolarHBondContact O-N 3.11Å; I95-G99 PolarHBondContact O-N 2.68Å |
| 96 | H | 98.1 | Very high | 96.8 | Very high | 89 Ų | 89 | 76 Ų | 76 | 41% | 0.412 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.9 | -51.9 | 179.9 | -172.5 | -156.9 | 0 | 0 | 0 | 111.6 | E64 I68 R92 G93 I94 R98 G99 L100 | E64-H96 IonicContact OE1-CE1 2.69Å; E64-H96 PolarHBondContact OE1-CE1 2.9Å; E64-H96 IonicContact OE1-NE2 3.16Å; I68-H96 HydrophobicContact CD1-CB 4.46Å; I68-H96 VanDerWaalsContact CD1-ND1 3.34Å; I68-H96 WeakPolarHBondContact CD1-ND1 3.38Å; R92-H96 WeakPolarHBondContact O-CB 3.34Å; R92-H96 PolarHBondContact O-N 3.09Å; G93-H96 PolarHBondContact O-N 3.39Å; I94-H96 VanDerWaalsContact C-N 3.33Å; H96-R98 PolarHBondContact O-N 3.37Å; H96-G99 WeakPolarHBondContact O-CA 3.33Å; H96-G99 PolarHBondContact O-N 3.05Å; H96-L100 PolarHBondContact O-N 2.95Å |
| 97 | A | 98.2 | Very high | 96.3 | Very high | 15 Ų | 15 | 79.5 Ų | 79.5 | 12% | 0.124 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -54.6 | -42.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L65 I68 G93 G99 L100 V101 | L65-A97 HydrophobicContact CD1-CB 3.76Å; I68-A97 HydrophobicContact CG2-CB 3.93Å; G93-A97 WeakPolarHBondContact O-CB 3.38Å; G93-A97 PolarHBondContact O-N 3.36Å; A97-G99 PolarHBondContact O-N 3.35Å; A97-L100 PolarHBondContact O-N 3.49Å; A97-V101 VanDerWaalsContact O-CG2 3.26Å; A97-V101 WeakPolarHBondContact O-CG2 3.47Å; A97-V101 PolarHBondContact O-N 3.29Å |
| 98 | R | 98 | Very high | 95.9 | Very high | 146 Ų | 146 | 79.5 Ų | 79.5 | 55% | 0.551 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64.3 | -39.1 | 177.6 | -167.4 | -177.8 | 74.6 | 179.2 | 2 | 112.5 | I94 I95 H96 R102 | I94-R98 WeakPolarHBondContact O-CB 3.48Å; I94-R98 PolarHBondContact O-N 3.39Å; I95-R98 PolarHBondContact O-N 3.11Å; H96-R98 PolarHBondContact O-N 3.37Å; R98-R102 WeakPolarHBondContact O-CG 3.5Å; R98-R102 PolarHBondContact O-N 3.3Å |
| 99 | G | 96.8 | Very high | 95.5 | Very high | 27 Ų | 27 | 80.2 Ų | 80.2 | 28% | 0.278 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.2 | -53 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I95 H96 A97 V101 R102 E103 | I95-G99 PolarHBondContact O-N 2.68Å; H96-G99 WeakPolarHBondContact O-CA 3.33Å; H96-G99 PolarHBondContact O-N 3.05Å; A97-G99 PolarHBondContact O-N 3.35Å; G99-V101 VanDerWaalsContact C-N 3.32Å; G99-V101 PolarHBondContact O-N 3.37Å; G99-R102 WeakPolarHBondContact O-CB 3.36Å; G99-R102 PolarHBondContact O-N 3.37Å; G99-E103 PolarHBondContact O-N 3.26Å; G99-E103 VanDerWaalsContact O-N 3.1Å |
| 100 | L | 95.8 | Very high | 95.1 | Very high | 6 Ų | 6 | 83 Ų | 83 | 3% | 0.031 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -57.4 | -42.4 | -178.9 | -170.6 | 66.7 | 0 | 0 | 0 | 112.7 | K61 E64 L65 I68 H96 A97 R102 E103 C104 | K61-L100 HydrophobicContact CB-CD1 4.33Å; K61-L100 HydrophobicContact CG-CD1 4.17Å; K61-L100 WeakPolarHBondContact O-CD2 3.28Å; E64-L100 HydrophobicContact CB-CD2 4.08Å; E64-L100 HydrophobicContact CG-CD2 3.92Å; L65-L100 HydrophobicContact CB-CD2 3.83Å; L65-L100 HydrophobicContact CD1-CD2 4.3Å; I68-L100 HydrophobicContact CD1-CD2 4Å; H96-L100 PolarHBondContact O-N 2.95Å; A97-L100 PolarHBondContact O-N 3.49Å; L100-R102 PolarHBondContact O-N 3.1Å; L100-E103 PolarHBondContact O-N 2.69Å; L100-C104 PolarHBondContact O-N 3.46Å; L100-C104 PolarHBondContact O-SG 2.82Å |
| 101 | V | 95.9 | Very high | 94.6 | Very high | 60 Ų | 60 | 86 Ų | 86 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 176.9 | 170.6 | 0 | 0 | 0 | 0 | 111.7 | L65 A97 G99 E103 C104 L105 | L65-V101 HydrophobicContact CD1-CG2 4.1Å; L65-V101 HydrophobicContact CD2-CG2 3.89Å; A97-V101 VanDerWaalsContact O-CG2 3.26Å; A97-V101 WeakPolarHBondContact O-CG2 3.47Å; A97-V101 PolarHBondContact O-N 3.29Å; G99-V101 VanDerWaalsContact C-N 3.32Å; G99-V101 PolarHBondContact O-N 3.37Å; V101-E103 VanDerWaalsContact C-N 3.32Å; V101-E103 PolarHBondContact O-N 2.97Å; V101-C104 PolarHBondContact O-N 3.05Å; V101-L105 HydrophobicContact CG1-CD1 4.26Å; V101-L105 WeakPolarHBondContact O-CG 3.44Å; V101-L105 PolarHBondContact O-N 3.04Å |
| 102 | R | 96 | Very high | 94 | Very high | 156 Ų | 156 | 84.4 Ų | 84.4 | 59% | 0.589 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.3 | -40.9 | 176.4 | -71.3 | 171.1 | 176.7 | -171.7 | -4.3 | 111.4 | R98 G99 L100 L105 A106 | R98-R102 WeakPolarHBondContact O-CG 3.5Å; R98-R102 PolarHBondContact O-N 3.3Å; G99-R102 WeakPolarHBondContact O-CB 3.36Å; G99-R102 PolarHBondContact O-N 3.37Å; L100-R102 PolarHBondContact O-N 3.1Å; R102-L105 PolarHBondContact O-N 3.34Å; R102-A106 WeakPolarHBondContact O-CB 3.5Å; R102-A106 PolarHBondContact O-N 3.19Å |
| 103 | E | 93.3 | Very high | 93.3 | Very high | 109 Ų | 109 | 88 Ų | 88 | 51% | 0.509 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.9 | -40 | 176 | -66.9 | 179 | 82.9 | 0 | 0 | 111.9 | G99 L100 V101 A106 E107 | G99-E103 PolarHBondContact O-N 3.26Å; G99-E103 VanDerWaalsContact O-N 3.1Å; L100-E103 PolarHBondContact O-N 2.69Å; V101-E103 VanDerWaalsContact C-N 3.32Å; V101-E103 PolarHBondContact O-N 2.97Å; E103-A106 PolarHBondContact O-N 2.83Å; E103-E107 WeakPolarHBondContact O-CB 3.4Å; E103-E107 PolarHBondContact O-N 2.93Å |
| 104 | C | 91.8 | Very high | 91.6 | Very high | 24 Ų | 24 | 94.4 Ų | 94.4 | 16% | 0.162 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 175.6 | -67 | 0 | 0 | 0 | 0 | 112.4 | L100 V101 E107 T108 | L100-C104 PolarHBondContact O-N 3.46Å; L100-C104 PolarHBondContact O-SG 2.82Å; V101-C104 PolarHBondContact O-N 3.05Å; C104-E107 PolarHBondContact O-N 2.98Å; C104-T108 WeakPolarHBondContact O-CB 3.16Å; C104-T108 PolarHBondContact O-N 3.45Å; C104-T108 PolarHBondContact O-OG1 3.4Å |
| 105 | L | 92.4 | Very high | 91.2 | Very high | 108 Ų | 108 | 94.5 Ų | 94.5 | 57% | 0.565 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.6 | -50 | 177.1 | -71.8 | 172.5 | 0 | 0 | 0 | 110.8 | V101 R102 E107 T108 E109 | V101-L105 HydrophobicContact CG1-CD1 4.26Å; V101-L105 WeakPolarHBondContact O-CG 3.44Å; V101-L105 PolarHBondContact O-N 3.04Å; R102-L105 PolarHBondContact O-N 3.34Å; L105-E107 VanDerWaalsContact C-N 3.3Å; L105-E107 PolarHBondContact O-N 3.25Å; L105-T108 WeakPolarHBondContact O-CB 3.35Å; L105-T108 PolarHBondContact O-N 3.34Å; L105-T108 VanDerWaalsContact O-N 3.16Å; L105-E109 WeakPolarHBondContact O-CG 3.33Å; L105-E109 PolarHBondContact O-N 2.97Å |
| 106 | A | 91.3 | Very high | 90.9 | Very high | 44 Ų | 44 | 93.9 Ų | 93.9 | 36% | 0.364 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.6 | -37.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R102 E103 R110 | R102-A106 WeakPolarHBondContact O-CB 3.5Å; R102-A106 PolarHBondContact O-N 3.19Å; E103-A106 PolarHBondContact O-N 2.83Å; A106-R110 WeakPolarHBondContact O-CG 3.43Å; A106-R110 PolarHBondContact O-N 2.84Å; A106-R110 VanDerWaalsContact O-N 3.13Å |
| 107 | E | 88.8 | Confident | 90.5 | Very high | 75 Ų | 75 | 94.2 Ų | 94.2 | 35% | 0.35 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.5 | -41.4 | 175.9 | -173 | 160 | 65.9 | 0 | 0 | 111.9 | P58 K61 E103 C104 L105 E109 R110 N111 | P58-E107 WeakPolarHBondContact CD-OE1 3.24Å; P58-E107 WeakPolarHBondContact CG-OE1 3.47Å; K61-E107 IonicContact NZ-OE1 3.45Å; K61-E107 PolarHBondContact NZ-OE1 3.37Å; K61-E107 IonicContact NZ-OE2 3.53Å; K61-E107 PolarHBondContact NZ-OE2 3.48Å; K61-E107 VanDerWaalsContact NZ-OE2 3.16Å; E103-E107 WeakPolarHBondContact O-CB 3.4Å; E103-E107 PolarHBondContact O-N 2.93Å; C104-E107 PolarHBondContact O-N 2.98Å; L105-E107 VanDerWaalsContact C-N 3.3Å; L105-E107 PolarHBondContact O-N 3.25Å; E107-E109 VanDerWaalsContact C-N 3.34Å; E107-E109 PolarHBondContact O-N 3.05Å; E107-R110 PolarHBondContact O-N 3.31Å; E107-N111 WeakPolarHBondContact O-CB 3.41Å; E107-N111 PolarHBondContact O-N 3.03Å |
| 108 | T | 89.1 | Confident | 90 | Very high | 78 Ų | 78 | 98.8 Ų | 98.8 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 175.7 | -54.8 | 0 | 0 | 0 | 0 | 111.2 | C104 L105 R110 N111 A112 | C104-T108 WeakPolarHBondContact O-CB 3.16Å; C104-T108 PolarHBondContact O-N 3.45Å; C104-T108 PolarHBondContact O-OG1 3.4Å; L105-T108 WeakPolarHBondContact O-CB 3.35Å; L105-T108 PolarHBondContact O-N 3.34Å; L105-T108 VanDerWaalsContact O-N 3.16Å; T108-R110 VanDerWaalsContact C-N 3.33Å; T108-R110 PolarHBondContact O-N 3.06Å; T108-N111 PolarHBondContact O-N 3.19Å; T108-A112 WeakPolarHBondContact O-CB 3.13Å; T108-A112 PolarHBondContact O-N 3.45Å |
| 109 | E | 90.2 | Very high | 89.5 | Confident | 113 Ų | 113 | 95.9 Ų | 95.9 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.2 | -36.8 | 176.4 | -71.3 | -178.8 | 94.5 | 0 | 0 | 112.9 | L105 E107 R113 | L105-E109 WeakPolarHBondContact O-CG 3.33Å; L105-E109 PolarHBondContact O-N 2.97Å; E107-E109 VanDerWaalsContact C-N 3.34Å; E107-E109 PolarHBondContact O-N 3.05Å; E109-R113 WeakPolarHBondContact O-CG 3.46Å; E109-R113 PolarHBondContact O-N 3.32Å |
| 110 | R | 90.4 | Very high | 89 | Confident | 193 Ų | 193 | 100.5 Ų | 100.5 | 73% | 0.728 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.2 | -43.7 | 173.8 | -74.3 | -177.4 | -176.5 | -142.5 | 2.6 | 111.6 | A106 E107 T108 A112 R113 S114 | A106-R110 WeakPolarHBondContact O-CG 3.43Å; A106-R110 PolarHBondContact O-N 2.84Å; A106-R110 VanDerWaalsContact O-N 3.13Å; E107-R110 PolarHBondContact O-N 3.31Å; T108-R110 VanDerWaalsContact C-N 3.33Å; T108-R110 PolarHBondContact O-N 3.06Å; R110-A112 VanDerWaalsContact C-N 3.27Å; R110-A112 PolarHBondContact O-N 3.35Å; R110-R113 PolarHBondContact O-N 3.44Å; R110-S114 PolarHBondContact O-N 3.45Å; R110-S114 VanDerWaalsContact O-N 3.14Å; R110-S114 PolarHBondContact O-OG 2.8Å |
| 111 | N | 87.3 | Confident | 88.5 | Confident | 93 Ų | 93 | 107.2 Ų | 107.2 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.5 | -29.8 | -178.4 | -148.4 | 78.8 | 0 | 0 | 0 | 112.5 | E107 T108 R113 | E107-N111 WeakPolarHBondContact O-CB 3.41Å; E107-N111 PolarHBondContact O-N 3.03Å; T108-N111 PolarHBondContact O-N 3.19Å; N111-R113 VanDerWaalsContact C-N 3.31Å |
| 112 | A | 86.3 | Confident | 88 | Confident | 86 Ų | 86 | 110.8 Ų | 110.8 | 71% | 0.711 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -13.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114 | T108 R110 | T108-A112 WeakPolarHBondContact O-CB 3.13Å; T108-A112 PolarHBondContact O-N 3.45Å; R110-A112 VanDerWaalsContact C-N 3.27Å; R110-A112 PolarHBondContact O-N 3.35Å |
| 113 | R | 84 | Confident | 87.3 | Confident | 213 Ų | 213 | 107.1 Ų | 107.1 | 80% | 0.804 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | -10.6 | 176.7 | -71.1 | 177.1 | -175.6 | -158.5 | 4.1 | 113.2 | E109 R110 N111 | E109-R113 WeakPolarHBondContact O-CG 3.46Å; E109-R113 PolarHBondContact O-N 3.32Å; R110-R113 PolarHBondContact O-N 3.44Å; N111-R113 VanDerWaalsContact C-N 3.31Å |
| 114 | S | 62.7 | Low | 86.7 | Confident | 149 Ų | 149 | 106.9 Ų | 106.9 | 100% | 1.042 | 57% | 0.566 | S | S | * | * | trans | -91.2 | 0 | 176.9 | -53.2 | 0 | 0 | 0 | 0 | 109.9 | R110 | R110-S114 PolarHBondContact O-N 3.45Å; R110-S114 VanDerWaalsContact O-N 3.14Å; R110-S114 PolarHBondContact O-OG 2.8Å |
Retrieved 114 of 114 residues in 17.8 ms
(Link to these results)