| 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 | 41.6 | Very low | 40.1 | Very low | 248 Ų | 248 | 124.1 Ų | 124.1 | 100% | 1.222 | 87% | 0.87 | S | S | * | * | 0 | 105.2 | 0 | -70.5 | 165.3 | 76.5 | 0 | 0 | 107.2 | |||||
| 2 | S | 38.6 | Very low | 40.1 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 92% | 0.923 | 87% | 0.87 | S | S | * | * | trans | -79.9 | 137.7 | -179.3 | 26 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 3 | G | 37.8 | Very low | 40.3 | Very low | 68 Ų | 68 | 127.8 Ų | 127.8 | 70% | 0.701 | 87% | 0.868 | S | S | * | * | trans | -148 | 139.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 4 | P | 46 | Very low | 40.2 | Very low | 129 Ų | 129 | 124.6 Ų | 124.6 | 84% | 0.838 | 86% | 0.855 | S | S | * | * | trans | -90.6 | 130.8 | -155.1 | 34 | -31.7 | 0 | 0 | 0 | 112.9 | ||||
| 5 | G | 38.1 | Very low | 40.3 | Very low | 79 Ų | 79 | 124.8 Ų | 124.8 | 81% | 0.814 | 85% | 0.849 | S | S | * | * | trans | -90.5 | 110.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | A7 | G5-A7 PolarHBondContact O-N 3.02Š| ||
| 6 | T | 44.2 | Very low | 40.2 | Very low | 141 Ų | 141 | 128.1 Ų | 128.1 | 87% | 0.865 | 85% | 0.854 | S | S | * | * | trans | -60.7 | 126 | 176.4 | 41.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 7 | A | 37.9 | Very low | 40.3 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 87% | 0.868 | 86% | 0.855 | S | S | * | * | trans | -73.2 | 126.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | G5 | G5-A7 PolarHBondContact O-N 3.02Š| ||
| 8 | A | 39.2 | Very low | 40.1 | Very low | 101 Ų | 101 | 127.4 Ų | 127.4 | 84% | 0.835 | 84% | 0.844 | S | S | * | * | trans | -112.4 | 105 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | A10 | A8-A10 PolarHBondContact O-N 3.2Š| ||
| 9 | A | 38.7 | Very low | 40.1 | Very low | 93 Ų | 93 | 129.2 Ų | 129.2 | 77% | 0.769 | 84% | 0.844 | S | S | * | * | trans | -71.5 | 119 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 10 | A | 39 | Very low | 40.1 | Very low | 107 Ų | 107 | 131.4 Ų | 131.4 | 88% | 0.884 | 85% | 0.846 | S | S | * | * | trans | -94.9 | 106.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | A8 | A8-A10 PolarHBondContact O-N 3.2Š| ||
| 11 | L | 40.1 | Very low | 40.2 | Very low | 162 Ų | 162 | 129.9 Ų | 129.9 | 85% | 0.848 | 85% | 0.846 | S | S | * | * | trans | -69.6 | 140.3 | 180 | -71.4 | 146.8 | 0 | 0 | 0 | 111.5 | ||||
| 12 | L | 40.7 | Very low | 40.3 | Very low | 167 Ų | 167 | 124.2 Ų | 124.2 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | trans | -59.2 | 140.1 | 163.4 | -65.7 | 159.8 | 0 | 0 | 0 | 110.5 | ||||
| 13 | P | 42.2 | Very low | 40.5 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 84% | 0.844 | 83% | 0.828 | S | S | * | * | trans | -97.7 | 97.7 | 161.8 | 28.4 | -16.4 | 0 | 0 | 0 | 109.8 | ||||
| 14 | A | 39 | Very low | 40.6 | Very low | 83 Ų | 83 | 131.2 Ų | 131.2 | 69% | 0.686 | 83% | 0.834 | S | S | * | * | trans | -81.7 | 157.8 | 149.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 15 | V | 41.8 | Very low | 40 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 77% | 0.77 | 83% | 0.83 | S | S | * | * | trans | 90 | 105 | 164.7 | -165.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 16 | L | 38.3 | Very low | 40 | Very low | 177 Ų | 177 | 137.3 Ų | 137.3 | 93% | 0.927 | 84% | 0.838 | S | S | * | * | -142 | 99.9 | 124.3 | -144.5 | 83.1 | 0 | 0 | 0 | 109.4 | |||||
| 17 | L | 41.4 | Very low | 39.4 | Very low | 167 Ų | 167 | 134.2 Ų | 134.2 | 87% | 0.874 | 84% | 0.835 | S | S | * | * | trans | -125.7 | 104.2 | 175.8 | -138.1 | 161.2 | 0 | 0 | 0 | 106.2 | ||||
| 18 | A | 37 | Very low | 39.7 | Very low | 78 Ų | 78 | 133.4 Ų | 133.4 | 65% | 0.645 | 84% | 0.836 | S | S | * | * | trans | 169.8 | 129.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 19 | L | 40.8 | Very low | 39.5 | Very low | 161 Ų | 161 | 133.4 Ų | 133.4 | 84% | 0.843 | 84% | 0.836 | S | S | * | * | cis | -162.1 | 146.4 | 18.6 | -80.3 | 131.5 | 0 | 0 | 0 | 105 | ||||
| 20 | L | 40.7 | Very low | 39.6 | Very low | 172 Ų | 172 | 133.8 Ų | 133.8 | 90% | 0.901 | 84% | 0.84 | S | S | * | * | trans | -179.5 | 92.6 | 138.7 | -86.2 | -163.3 | 0 | 0 | 0 | 107.7 | ||||
| 21 | A | 41.3 | Very low | 39.5 | Very low | 101 Ų | 101 | 133 Ų | 133 | 84% | 0.835 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -90 | 130.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||
| 22 | P | 44 | Very low | 39.5 | Very low | 128 Ų | 128 | 131.1 Ų | 131.1 | 83% | 0.831 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 133.1 | 166.7 | -4.7 | 23.5 | 0 | 0 | 0 | 111.6 | ||
| 23 | W | 41.6 | Very low | 39.8 | Very low | 250 Ų | 250 | 130 Ų | 130 | 95% | 0.947 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 135 | 169.9 | -146.7 | -41.3 | 0 | 0 | 0 | 112.7 | G25 | W23-G25 PolarHBondContact O-N 2.77Š|
| 24 | A | 40 | Very low | 40 | Very low | 98 Ų | 98 | 127.6 Ų | 127.6 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 118.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 25 | G | 34.2 | Very low | 40.3 | Very low | 74 Ų | 74 | 128.3 Ų | 128.3 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | trans | -140.4 | 121.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | W23 | W23-G25 PolarHBondContact O-N 2.77Š| ||
| 26 | R | 37.8 | Very low | 40.9 | Very low | 262 Ų | 262 | 128.9 Ų | 128.9 | 99% | 0.989 | 82% | 0.818 | S | S | * | * | trans | -55.9 | 138.6 | 179.1 | -84.7 | 170.7 | 159.1 | -136.9 | -1.7 | 113 | ||||
| 27 | G | 32 | Very low | 41.6 | Very low | 76 Ų | 76 | 123 Ų | 123 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | 165.5 | 110 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 28 | G | 43.1 | Very low | 42.5 | Very low | 88 Ų | 88 | 118.8 Ų | 118.8 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | trans | -73.3 | 134.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 29 | A | 36.4 | Very low | 43.7 | Very low | 100 Ų | 100 | 120.2 Ų | 120.2 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | -159 | 137.5 | 151.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 30 | A | 39.3 | Very low | 44.6 | Very low | 102 Ų | 102 | 118 Ų | 118 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 133.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 31 | A | 38.2 | Very low | 45.8 | Very low | 90 Ų | 90 | 112 Ų | 112 | 74% | 0.744 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 128.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | T33 | A31-T33 PolarHBondContact O-N 3.41Š|
| 32 | P | 40.5 | Very low | 47.4 | Very low | 123 Ų | 123 | 110.9 Ų | 110.9 | 80% | 0.799 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 116.1 | 168.7 | 29.9 | -28.4 | 0 | 0 | 0 | 108.4 | A34 | P32-A34 PolarHBondContact O-N 3.41Š|
| 33 | T | 46.5 | Very low | 48.6 | Very low | 143 Ų | 143 | 109 Ų | 109 | 88% | 0.877 | 70% | 0.698 | S | S | * | * | trans | -69.3 | 96.3 | 167.8 | 38.3 | 0 | 0 | 0 | 0 | 109.2 | A31 | A31-T33 PolarHBondContact O-N 3.41Š| ||
| 34 | A | 47 | Very low | 49.8 | Very low | 80 Ų | 80 | 102 Ų | 102 | 66% | 0.661 | 68% | 0.676 | S | S | * | * | trans | -75.3 | 143 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | P32 N36 | P32-A34 PolarHBondContact O-N 3.41Å; A34-N36 PolarHBondContact O-N 3.25Å | ||
| 35 | P | 44.7 | Very low | 51.3 | Low | 97 Ų | 97 | 104.1 Ų | 104.1 | 63% | 0.63 | 66% | 0.663 | S | S | * | * | trans | -71.2 | 131.4 | -178.7 | 28.7 | -32.5 | 0 | 0 | 0 | 110.5 | G37 T38 | P35-G37 PolarHBondContact O-N 3.2Å; P35-T38 HydrophobicContact CG-CG2 4.48Å; P35-T38 PolarHBondContact O-N 3.06Å; P35-T38 PolarHBondContact O-OG1 3.21Å; P35-T38 VanDerWaalsContact O-OG1 3.05Å | ||
| 36 | N | 53.3 | Low | 53.2 | Low | 140 Ų | 140 | 107.7 Ų | 107.7 | 75% | 0.749 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | -5 | -177.9 | -140.4 | 23.3 | 0 | 0 | 0 | 115 | A34 | A34-N36 PolarHBondContact O-N 3.25Š|
| 37 | G | 53.8 | Low | 54.6 | Low | 53 Ų | 53 | 103 Ų | 103 | 55% | 0.546 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -83.9 | -13.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | P35 A41 | P35-G37 PolarHBondContact O-N 3.2Å; G37-A41 WeakPolarHBondContact O-CB 3.4Å |
| 38 | T | 60.5 | Low | 56.5 | Low | 79 Ų | 79 | 104.4 Ų | 104.4 | 49% | 0.485 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -84.3 | -36.8 | -177.3 | 49.3 | 0 | 0 | 0 | 0 | 113 | P35 E42 | P35-T38 HydrophobicContact CG-CG2 4.48Å; P35-T38 PolarHBondContact O-N 3.06Å; P35-T38 PolarHBondContact O-OG1 3.21Å; P35-T38 VanDerWaalsContact O-OG1 3.05Å; T38-E42 WeakPolarHBondContact O-CB 3.48Å; T38-E42 PolarHBondContact O-N 2.94Å |
| 39 | L | 62.1 | Low | 58.1 | Low | 107 Ų | 107 | 103.2 Ų | 103.2 | 56% | 0.56 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.6 | -44.8 | -179.3 | -159.1 | 83.8 | 0 | 0 | 0 | 111.9 | E42 L43 | L39-E42 PolarHBondContact O-N 3.43Å; L39-E42 VanDerWaalsContact O-N 3.16Å; L39-L43 HydrophobicContact CG-CD1 4.45Å; L39-L43 WeakPolarHBondContact O-CG 3.41Å; L39-L43 PolarHBondContact O-N 3.03Å |
| 40 | E | 60.7 | Low | 59.9 | Low | 116 Ų | 116 | 103.9 Ų | 103.9 | 54% | 0.542 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.1 | -43.1 | 175.6 | -67.3 | -62.5 | 154.4 | 0 | 0 | 111.4 | E42 L43 E44 | E40-E42 VanDerWaalsContact C-N 3.26Å; E40-E42 PolarHBondContact O-N 3.37Å; E40-L43 PolarHBondContact O-N 3.34Å; E40-E44 WeakPolarHBondContact O-CB 3.45Å; E40-E44 PolarHBondContact O-N 3.4Å |
| 41 | A | 64.3 | Low | 61.5 | Low | 44 Ų | 44 | 101.2 Ų | 101.2 | 36% | 0.364 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.2 | -30.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G37 R45 | G37-A41 WeakPolarHBondContact O-CB 3.4Å; A41-R45 WeakPolarHBondContact O-CB 3.21Å; A41-R45 VanDerWaalsContact O-CG 3.23Å; A41-R45 WeakPolarHBondContact O-CG 3.49Å; A41-R45 PolarHBondContact O-N 3.17Å; A41-R45 PolarHBondContact O-NE 3.13Å |
| 42 | E | 75.7 | Confident | 63.2 | Low | 78 Ų | 78 | 99.7 Ų | 99.7 | 36% | 0.364 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -77.1 | -37.1 | 174.6 | -157.3 | 174.9 | 154.4 | 0 | 0 | 112.6 | T38 L39 E40 R45 R46 | T38-E42 WeakPolarHBondContact O-CB 3.48Å; T38-E42 PolarHBondContact O-N 2.94Å; L39-E42 PolarHBondContact O-N 3.43Å; L39-E42 VanDerWaalsContact O-N 3.16Å; E40-E42 VanDerWaalsContact C-N 3.26Å; E40-E42 PolarHBondContact O-N 3.37Å; E42-R45 PolarHBondContact O-N 3.46Å; E42-R46 WeakPolarHBondContact O-CB 3.39Å; E42-R46 WeakPolarHBondContact O-CG 3.3Å; E42-R46 PolarHBondContact O-N 2.72Å; E42-R46 IonicContact OE1-CZ 3.5Å; E42-R46 IonicContact OE1-NE 3.51Å; E42-R46 IonicContact OE1-NH2 2.75Å; E42-R46 PolarHBondContact OE1-NH2 2.97Å |
| 43 | L | 68.8 | Low | 64.9 | Low | 89 Ų | 89 | 102.2 Ų | 102.2 | 47% | 0.466 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 172.3 | -74.6 | 165.6 | 0 | 0 | 0 | 111.2 | L39 E40 R46 W47 | L39-L43 HydrophobicContact CG-CD1 4.45Å; L39-L43 WeakPolarHBondContact O-CG 3.41Å; L39-L43 PolarHBondContact O-N 3.03Å; E40-L43 PolarHBondContact O-N 3.34Å; L43-R46 PolarHBondContact O-N 2.65Å; L43-W47 WeakPolarHBondContact O-CB 3.35Å; L43-W47 PolarHBondContact O-N 2.88Å |
| 44 | E | 67.3 | Low | 66.1 | Low | 104 Ų | 104 | 98.5 Ų | 98.5 | 49% | 0.486 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.2 | -46.9 | 177.3 | -161.9 | 64.4 | -157.4 | 0 | 0 | 111.1 | E40 R46 W47 E48 | E40-E44 WeakPolarHBondContact O-CB 3.45Å; E40-E44 PolarHBondContact O-N 3.4Å; E44-R46 VanDerWaalsContact C-N 3.31Å; E44-R46 PolarHBondContact O-N 3.07Å; E44-W47 WeakPolarHBondContact O-CB 3.29Å; E44-W47 PolarHBondContact O-N 2.9Å; E44-W47 VanDerWaalsContact O-N 3.12Å; E44-E48 WeakPolarHBondContact O-CB 3.4Å; E44-E48 WeakPolarHBondContact O-CG 3.47Å; E44-E48 PolarHBondContact O-N 3.05Å |
| 45 | R | 72.2 | Confident | 67.3 | Low | 142 Ų | 142 | 97.3 Ų | 97.3 | 54% | 0.536 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.2 | -38.7 | 176.2 | -75.6 | 177.8 | -64.5 | -171.9 | 5.9 | 112.7 | A41 E42 S49 | A41-R45 WeakPolarHBondContact O-CB 3.21Å; A41-R45 VanDerWaalsContact O-CG 3.23Å; A41-R45 WeakPolarHBondContact O-CG 3.49Å; A41-R45 PolarHBondContact O-N 3.17Å; A41-R45 PolarHBondContact O-NE 3.13Å; E42-R45 PolarHBondContact O-N 3.46Å; R45-S49 WeakPolarHBondContact O-CB 3.35Å; R45-S49 PolarHBondContact O-N 2.8Å; R45-S49 VanDerWaalsContact O-N 3.08Å; R45-S49 PolarHBondContact O-OG 3.08Å |
| 46 | R | 73.4 | Confident | 68.7 | Low | 149 Ų | 149 | 96.1 Ų | 96.1 | 56% | 0.562 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.2 | -41.2 | 175.5 | -74.9 | 173.2 | -175.8 | -155 | 5.6 | 110.7 | E42 L43 E44 S49 L50 | E42-R46 WeakPolarHBondContact O-CB 3.39Å; E42-R46 WeakPolarHBondContact O-CG 3.3Å; E42-R46 PolarHBondContact O-N 2.72Å; E42-R46 IonicContact OE1-CZ 3.5Å; E42-R46 IonicContact OE1-NE 3.51Å; E42-R46 IonicContact OE1-NH2 2.75Å; E42-R46 PolarHBondContact OE1-NH2 2.97Å; L43-R46 PolarHBondContact O-N 2.65Å; E44-R46 VanDerWaalsContact C-N 3.31Å; E44-R46 PolarHBondContact O-N 3.07Å; R46-S49 PolarHBondContact O-N 3.42Å; R46-L50 VanDerWaalsContact O-CG 3.29Å; R46-L50 WeakPolarHBondContact O-CG 3.35Å; R46-L50 PolarHBondContact O-N 3.5Å |
| 47 | W | 67.9 | Low | 69.8 | Low | 163 Ų | 163 | 99.8 Ų | 99.8 | 62% | 0.617 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.4 | -50.7 | 176.6 | -179.2 | -112.4 | 0 | 0 | 0 | 111.8 | L43 E44 S49 L50 V51 | L43-W47 WeakPolarHBondContact O-CB 3.35Å; L43-W47 PolarHBondContact O-N 2.88Å; E44-W47 WeakPolarHBondContact O-CB 3.29Å; E44-W47 PolarHBondContact O-N 2.9Å; E44-W47 VanDerWaalsContact O-N 3.12Å; W47-S49 VanDerWaalsContact C-N 3.27Å; W47-S49 PolarHBondContact O-N 3.42Å; W47-L50 PolarHBondContact O-N 3.48Å; W47-L50 VanDerWaalsContact O-N 3.09Å; W47-V51 HydrophobicContact CD2-CG2 4.16Å; W47-V51 HydrophobicContact CG-CG2 4.47Å; W47-V51 HydrophobicContact CZ2-CG2 4.06Å; W47-V51 WeakPolarHBondContact O-CG2 3.43Å; W47-V51 PolarHBondContact O-N 3.09Å |
| 48 | E | 71.1 | Confident | 70.7 | Confident | 106 Ų | 106 | 100.9 Ų | 100.9 | 50% | 0.495 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -54.9 | -43 | 175.1 | -72.6 | 177.9 | 160.4 | 0 | 0 | 111.7 | E44 L50 V51 A52 | E44-E48 WeakPolarHBondContact O-CB 3.4Å; E44-E48 WeakPolarHBondContact O-CG 3.47Å; E44-E48 PolarHBondContact O-N 3.05Å; E48-L50 PolarHBondContact O-N 3.49Å; E48-V51 PolarHBondContact O-N 3.29Å; E48-A52 VanDerWaalsContact O-CB 3.3Å; E48-A52 WeakPolarHBondContact O-CB 3.32Å; E48-A52 PolarHBondContact O-N 2.82Å |
| 49 | S | 76.4 | Confident | 71.2 | Confident | 63 Ų | 63 | 101.5 Ų | 101.5 | 44% | 0.441 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 177.9 | -64.4 | 0 | 0 | 0 | 0 | 113 | R45 R46 W47 R53 | R45-S49 WeakPolarHBondContact O-CB 3.35Å; R45-S49 PolarHBondContact O-N 2.8Å; R45-S49 VanDerWaalsContact O-N 3.08Å; R45-S49 PolarHBondContact O-OG 3.08Å; R46-S49 PolarHBondContact O-N 3.42Å; W47-S49 VanDerWaalsContact C-N 3.27Å; W47-S49 PolarHBondContact O-N 3.42Å; S49-R53 WeakPolarHBondContact O-CB 3.35Å; S49-R53 WeakPolarHBondContact O-CD 3.18Å; S49-R53 WeakPolarHBondContact O-CG 3.49Å; S49-R53 PolarHBondContact O-N 2.82Å; S49-R53 VanDerWaalsContact O-N 3.17Å |
| 50 | L | 74.4 | Confident | 71.2 | Confident | 113 Ų | 113 | 102.2 Ų | 102.2 | 59% | 0.592 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -71 | -42.4 | 177.8 | -71.4 | 170.2 | 0 | 0 | 0 | 111.2 | R46 W47 E48 R53 S54 | R46-L50 VanDerWaalsContact O-CG 3.29Å; R46-L50 WeakPolarHBondContact O-CG 3.35Å; R46-L50 PolarHBondContact O-N 3.5Å; W47-L50 PolarHBondContact O-N 3.48Å; W47-L50 VanDerWaalsContact O-N 3.09Å; E48-L50 PolarHBondContact O-N 3.49Å; L50-R53 PolarHBondContact O-N 3.34Å; L50-S54 WeakPolarHBondContact O-CB 3.23Å; L50-S54 PolarHBondContact O-N 2.95Å |
| 51 | V | 73.6 | Confident | 71.2 | Confident | 46 Ų | 46 | 101.9 Ų | 101.9 | 28% | 0.279 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.9 | -49.4 | 176.3 | 172.9 | 0 | 0 | 0 | 0 | 110.3 | W47 E48 R53 S54 L55 | W47-V51 HydrophobicContact CD2-CG2 4.16Å; W47-V51 HydrophobicContact CG-CG2 4.47Å; W47-V51 HydrophobicContact CZ2-CG2 4.06Å; W47-V51 WeakPolarHBondContact O-CG2 3.43Å; W47-V51 PolarHBondContact O-N 3.09Å; E48-V51 PolarHBondContact O-N 3.29Å; V51-R53 VanDerWaalsContact C-N 3.32Å; V51-R53 PolarHBondContact O-N 3.29Å; V51-S54 PolarHBondContact O-N 2.75Å; V51-S54 VanDerWaalsContact O-N 3.07Å; V51-S54 PolarHBondContact O-OG 3.5Å; V51-L55 HydrophobicContact CG1-CD1 3.82Å; V51-L55 HydrophobicContact CG1-CG 4.3Å; V51-L55 WeakPolarHBondContact O-CG 3.46Å; V51-L55 PolarHBondContact O-N 3.19Å |
| 52 | A | 72.3 | Confident | 71 | Confident | 59 Ų | 59 | 102.4 Ų | 102.4 | 49% | 0.488 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57.6 | -43.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | E48 S54 L55 A56 | E48-A52 VanDerWaalsContact O-CB 3.3Å; E48-A52 WeakPolarHBondContact O-CB 3.32Å; E48-A52 PolarHBondContact O-N 2.82Å; A52-S54 VanDerWaalsContact C-N 3.33Å; A52-S54 PolarHBondContact O-N 3.12Å; A52-L55 PolarHBondContact O-N 3.1Å; A52-A56 WeakPolarHBondContact O-CB 3.35Å; A52-A56 PolarHBondContact O-N 2.8Å |
| 53 | R | 77.4 | Confident | 69.9 | Low | 176 Ų | 176 | 102.4 Ų | 102.4 | 66% | 0.664 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.8 | -34.5 | 176.6 | -73.8 | 173 | -176.5 | -147.9 | 1.2 | 112.9 | S49 L50 V51 R57 | S49-R53 WeakPolarHBondContact O-CB 3.35Å; S49-R53 WeakPolarHBondContact O-CD 3.18Å; S49-R53 WeakPolarHBondContact O-CG 3.49Å; S49-R53 PolarHBondContact O-N 2.82Å; S49-R53 VanDerWaalsContact O-N 3.17Å; L50-R53 PolarHBondContact O-N 3.34Å; V51-R53 VanDerWaalsContact C-N 3.32Å; V51-R53 PolarHBondContact O-N 3.29Å; R53-R57 WeakPolarHBondContact O-CG 3.44Å |
| 54 | S | 72.3 | Confident | 69.3 | Low | 64 Ų | 64 | 102 Ų | 102 | 45% | 0.448 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -71 | -42.3 | 177.4 | 76.5 | 0 | 0 | 0 | 0 | 111.7 | L50 V51 A52 R57 | L50-S54 WeakPolarHBondContact O-CB 3.23Å; L50-S54 PolarHBondContact O-N 2.95Å; V51-S54 PolarHBondContact O-N 2.75Å; V51-S54 VanDerWaalsContact O-N 3.07Å; V51-S54 PolarHBondContact O-OG 3.5Å; A52-S54 VanDerWaalsContact C-N 3.33Å; A52-S54 PolarHBondContact O-N 3.12Å; S54-R57 PolarHBondContact O-N 2.86Å |
| 55 | L | 72.1 | Confident | 68.7 | Low | 55 Ų | 55 | 106.4 Ų | 106.4 | 29% | 0.288 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.7 | -37.8 | 179.4 | -68.9 | 175.1 | 0 | 0 | 0 | 111.9 | V51 A52 R57 L58 P64 | V51-L55 HydrophobicContact CG1-CD1 3.82Å; V51-L55 HydrophobicContact CG1-CG 4.3Å; V51-L55 WeakPolarHBondContact O-CG 3.46Å; V51-L55 PolarHBondContact O-N 3.19Å; A52-L55 PolarHBondContact O-N 3.1Å; L55-R57 PolarHBondContact O-N 3.26Å; L55-R57 VanDerWaalsContact O-N 3.13Å; L55-L58 HydrophobicContact CD2-CD1 4.01Å; L55-L58 WeakPolarHBondContact O-CB 3.44Å; L55-L58 PolarHBondContact O-N 2.85Å; L55-P64 HydrophobicContact CD1-CG 4.45Å; L55-P64 HydrophobicContact CD2-CG 3.99Å |
| 56 | A | 73.1 | Confident | 67.8 | Low | 72 Ų | 72 | 109.7 Ų | 109.7 | 60% | 0.595 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -18.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | A52 | A52-A56 WeakPolarHBondContact O-CB 3.35Å; A52-A56 PolarHBondContact O-N 2.8Å |
| 57 | R | 76.8 | Confident | 66.7 | Low | 218 Ų | 218 | 106.7 Ų | 106.7 | 82% | 0.823 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -8.4 | 177.4 | -67 | 175.3 | -179.1 | -163 | -1.2 | 113.4 | R53 S54 L55 | R53-R57 WeakPolarHBondContact O-CG 3.44Å; S54-R57 PolarHBondContact O-N 2.86Å; L55-R57 PolarHBondContact O-N 3.26Å; L55-R57 VanDerWaalsContact O-N 3.13Å |
| 58 | L | 71.8 | Confident | 65.8 | Low | 75 Ų | 75 | 102.5 Ų | 102.5 | 39% | 0.393 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -80.3 | 144.7 | 176.2 | -64.7 | 176.3 | 0 | 0 | 0 | 110.7 | L55 A62 Q63 | L55-L58 HydrophobicContact CD2-CD1 4.01Å; L55-L58 WeakPolarHBondContact O-CB 3.44Å; L55-L58 PolarHBondContact O-N 2.85Å; L58-A62 HydrophobicContact CB-CB 4.46Å; L58-Q63 HydrophobicContact CB-CG 4.23Å; L58-Q63 PolarHBondContact O-NE2 3.13Å |
| 59 | P | 72 | Confident | 64.5 | Low | 92 Ų | 92 | 103.7 Ų | 103.7 | 60% | 0.597 | 60% | 0.598 | S | S | * | * | trans | -59.8 | 145.7 | 172.1 | 24 | -30.7 | 0 | 0 | 0 | 110 | A61 A62 Q63 | P59-A61 PolarHBondContact O-N 2.76Å; P59-A62 HydrophobicContact CG-CB 3.99Å; P59-A62 CarbonylContact O-C 3.58Å; P59-A62 WeakPolarHBondContact O-CA 3.35Å; P59-A62 PolarHBondContact O-N 3.34Å; P59-Q63 PolarHBondContact O-N 3.16Å | ||
| 60 | V | 62.3 | Low | 63.2 | Low | 123 Ų | 123 | 108.7 Ų | 108.7 | 75% | 0.745 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -53.2 | -32.3 | -171.5 | 175 | 0 | 0 | 0 | 0 | 113.6 | A62 Q63 | V60-A62 VanDerWaalsContact C-N 3.28Å; V60-A62 PolarHBondContact O-N 3.04Å; V60-Q63 PolarHBondContact O-N 2.93Å |
| 61 | A | 61 | Low | 61.6 | Low | 108 Ų | 108 | 108.4 Ų | 108.4 | 89% | 0.893 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -70.3 | -20.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | P59 | P59-A61 PolarHBondContact O-N 2.76Š|
| 62 | A | 58.3 | Low | 60.2 | Low | 56 Ų | 56 | 110 Ų | 110 | 46% | 0.463 | 65% | 0.648 | S | S | . | * | G | 310 helix | trans | -103.9 | -2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L58 P59 V60 | L58-A62 HydrophobicContact CB-CB 4.46Å; P59-A62 HydrophobicContact CG-CB 3.99Å; P59-A62 CarbonylContact O-C 3.58Å; P59-A62 WeakPolarHBondContact O-CA 3.35Å; P59-A62 PolarHBondContact O-N 3.34Å; V60-A62 VanDerWaalsContact C-N 3.28Å; V60-A62 PolarHBondContact O-N 3.04Å |
| 63 | Q | 53.8 | Low | 59.1 | Low | 77 Ų | 77 | 110 Ų | 110 | 36% | 0.36 | 65% | 0.648 | S | S | . | * | S | Bend | trans | -71.8 | 130.4 | 169.4 | -73.7 | -178.9 | 2.2 | 0 | 0 | 108.9 | L58 P59 V60 K65 | L58-Q63 HydrophobicContact CB-CG 4.23Å; L58-Q63 PolarHBondContact O-NE2 3.13Å; P59-Q63 PolarHBondContact O-N 3.16Å; V60-Q63 PolarHBondContact O-N 2.93Å; Q63-K65 PolarHBondContact O-N 3.5Å |
| 64 | P | 56.2 | Low | 57.7 | Low | 82 Ų | 82 | 103 Ų | 103 | 53% | 0.532 | 63% | 0.631 | S | S | . | * | P | Polyproline II helix | trans | -61.6 | 123.7 | 174.9 | 24 | -29.3 | 0 | 0 | 0 | 108.5 | L55 E66 | L55-P64 HydrophobicContact CD1-CG 4.45Å; L55-P64 HydrophobicContact CD2-CG 3.99Å; P64-E66 PolarHBondContact O-N 3.39Å |
| 65 | K | 55.6 | Low | 56.5 | Low | 196 Ų | 196 | 104.4 Ų | 104.4 | 85% | 0.852 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 131.1 | 169.2 | -67.7 | -174.8 | 174.9 | -176.3 | 0 | 107.4 | Q63 A67 | Q63-K65 PolarHBondContact O-N 3.5Å; K65-A67 PolarHBondContact O-N 3.05Å |
| 66 | E | 52.4 | Low | 55.3 | Low | 211 Ų | 211 | 108.6 Ų | 108.6 | 99% | 0.986 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -49.8 | 77.8 | -173 | -72.8 | 168 | 137.7 | 0 | 0 | 114 | P64 | P64-E66 PolarHBondContact O-N 3.39Š|
| 67 | A | 49.7 | Very low | 54.3 | Low | 85 Ų | 85 | 108.6 Ų | 108.6 | 70% | 0.702 | 64% | 0.636 | S | S | * | * | trans | -137.9 | 116.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 105.7 | K65 | K65-A67 PolarHBondContact O-N 3.05Š| ||
| 68 | A | 49.8 | Very low | 53.4 | Low | 76 Ų | 76 | 102.9 Ų | 102.9 | 63% | 0.628 | 62% | 0.621 | S | S | * | * | trans | 78.6 | 74.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 69 | V | 44.3 | Very low | 52.9 | Low | 131 Ų | 131 | 102.1 Ų | 102.1 | 79% | 0.794 | 63% | 0.631 | S | S | * | * | trans | -118.6 | 75.3 | 134.9 | -175.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 70 | Q | 48 | Very low | 53.4 | Low | 167 Ų | 167 | 103 Ų | 103 | 78% | 0.78 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -133.1 | 105.6 | 161.6 | -73.5 | -169.8 | -12.4 | 0 | 0 | 107.5 | ||
| 71 | S | 41.3 | Very low | 54.7 | Low | 107 Ų | 107 | 103.3 Ų | 103.3 | 75% | 0.748 | 62% | 0.621 | S | S | * | * | trans | 40.3 | 98.4 | 159.6 | -164.5 | 0 | 0 | 0 | 0 | 117.1 | A73 | S71-A73 PolarHBondContact O-N 3.23Š| ||
| 72 | G | 43.7 | Very low | 56.2 | Low | 81 Ų | 81 | 100.9 Ų | 100.9 | 84% | 0.835 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | 29.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | Y76 | G72-Y76 WeakPolarHBondContact O-CE1 3.27Š|
| 73 | A | 49.7 | Very low | 58 | Low | 58 Ų | 58 | 102.2 Ų | 102.2 | 48% | 0.479 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -113 | -16.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S71 Y76 | S71-A73 PolarHBondContact O-N 3.23Å; A73-Y76 VanDerWaalsContact O-CE1 3.31Å; A73-Y76 WeakPolarHBondContact O-CE1 3.32Å; A73-Y76 PolarHBondContact O-OH 2.85Å |
| 74 | G | 48.5 | Very low | 60.1 | Low | 29 Ų | 29 | 102.1 Ų | 102.1 | 30% | 0.299 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -99.9 | -32.6 | -168.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 75 | D | 45.7 | Very low | 62.1 | Low | 93 Ų | 93 | 100.2 Ų | 100.2 | 50% | 0.497 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -90.6 | -20.5 | -162.7 | -81.4 | -4.9 | 0 | 0 | 0 | 115 | L77 L78 | D75-L77 PolarHBondContact O-N 3.3Å; D75-L77 VanDerWaalsContact O-N 3.1Å; D75-L78 PolarHBondContact O-N 2.82Å; D75-L78 VanDerWaalsContact O-N 3.13Å |
| 76 | Y | 48.5 | Very low | 64.1 | Low | 143 Ų | 143 | 90.9 Ų | 90.9 | 56% | 0.561 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -67.2 | -9.5 | 171 | 55.4 | -106.8 | 0 | 0 | 0 | 113.2 | G72 A73 | G72-Y76 WeakPolarHBondContact O-CE1 3.27Å; A73-Y76 VanDerWaalsContact O-CE1 3.31Å; A73-Y76 WeakPolarHBondContact O-CE1 3.32Å; A73-Y76 PolarHBondContact O-OH 2.85Å |
| 77 | L | 51.6 | Low | 66.3 | Low | 73 Ų | 73 | 82.8 Ų | 82.8 | 38% | 0.382 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -86.4 | -12.5 | 176.1 | -60.7 | 176.1 | 0 | 0 | 0 | 112.9 | D75 P120 | D75-L77 PolarHBondContact O-N 3.3Å; D75-L77 VanDerWaalsContact O-N 3.1Å; L77-P120 WeakPolarHBondContact O-CB 3.46Å |
| 78 | L | 57.5 | Low | 68.6 | Low | 98 Ų | 98 | 78.7 Ų | 78.7 | 51% | 0.513 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -107.2 | 80.2 | -179.3 | -74.4 | 163.1 | 0 | 0 | 0 | 110.1 | D75 | D75-L78 PolarHBondContact O-N 2.82Å; D75-L78 VanDerWaalsContact O-N 3.13Å |
| 79 | G | 61.4 | Low | 70.9 | Confident | 58 Ų | 58 | 79.2 Ų | 79.2 | 60% | 0.598 | 45% | 0.445 | S | S | * | . | S | Bend | trans | 137.1 | -12 | 160.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 80 | I | 81.4 | Confident | 73.4 | Confident | 110 Ų | 110 | 73.5 Ų | 73.5 | 56% | 0.564 | 41% | 0.41 | S | S | * | . | trans | -92.2 | 116.3 | 179.7 | -55.3 | 176.2 | 0 | 0 | 0 | 110 | R82 | I80-R82 PolarHBondContact O-N 2.88Š| ||
| 81 | K | 89.5 | Confident | 75.7 | Confident | 130 Ų | 130 | 68.1 Ų | 68.1 | 57% | 0.565 | 40% | 0.4 | S | S | * | . | trans | -67.3 | 128.3 | 168.2 | -58.4 | -174.2 | 158.2 | -153.4 | 0 | 109.5 | E117 S119 | K81-E117 HydrophobicContact CB-CG 4.17Å; K81-E117 HydrophobicContact CD-CG 4.42Å; K81-E117 VanDerWaalsContact CD-OE1 3.32Å; K81-E117 WeakPolarHBondContact CD-OE1 3.15Å; K81-E117 VanDerWaalsContact CE-OE1 3.27Å; K81-E117 WeakPolarHBondContact CE-OE1 3.5Å; K81-E117 IonicContact NZ-OE1 2.76Å; K81-E117 PolarHBondContact NZ-OE1 3.01Å; K81-E117 IonicContact NZ-OE2 3.84Å; K81-S119 WeakPolarHBondContact CG-OG 3.37Å | ||
| 82 | R | 93.5 | Very high | 78.3 | Confident | 57 Ų | 57 | 68.4 Ų | 68.4 | 22% | 0.215 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 111 | -176.9 | -61.4 | 171.9 | -67.4 | 170.7 | 3.1 | 109.6 | I80 R84 L118 E159 | I80-R82 PolarHBondContact O-N 2.88Å; R82-R84 HydrophobicContact CB-CG 4.17Å; R82-R84 PolarHBondContact O-N 2.76Å; R82-L118 HydrophobicContact CB-CB 4.27Å; R82-L118 PolarHBondContact N-O 3.13Å; R82-L118 PolarHBondContact O-N 2.83Å; R82-E159 IonicContact CZ-OE2 3.4Å; R82-E159 IonicContact NH1-OE1 3.93Å; R82-E159 IonicContact NH1-OE2 3.07Å; R82-E159 PolarHBondContact NH1-OE2 3.49Å; R82-E159 VanDerWaalsContact NH1-OE2 3.07Å; R82-E159 IonicContact NH2-OE1 3.72Å; R82-E159 IonicContact NH2-OE2 2.76Å; R82-E159 PolarHBondContact NH2-OE2 3.46Å |
| 83 | L | 95.9 | Very high | 80.9 | Confident | 85 Ų | 85 | 64.6 Ų | 64.6 | 45% | 0.445 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 113.3 | 168.5 | -70.2 | 177.3 | 0 | 0 | 0 | 109.3 | L115 L116 E117 V131 | L83-L115 HydrophobicContact CB-CD1 4.46Å; L83-L116 CarbonylContact C-O 3.56Å; L83-L116 WeakPolarHBondContact CA-O 3.31Å; L83-E117 HydrophobicContact CD2-CB 3.91Å; L83-E117 HydrophobicContact CD2-CG 4.4Å; L83-V131 HydrophobicContact CD2-CG2 3.68Å |
| 84 | R | 97.3 | Very high | 83.3 | Confident | 74 Ų | 74 | 62.6 Ų | 62.6 | 28% | 0.279 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 162 | -176 | -63.4 | -65.5 | -177.4 | -82.7 | 2.7 | 111.1 | R82 L116 L118 P204 R205 L206 | R82-R84 HydrophobicContact CB-CG 4.17Å; R82-R84 PolarHBondContact O-N 2.76Å; R84-L116 PolarHBondContact N-O 3.07Å; R84-L116 WeakPolarHBondContact O-CA 3.45Å; R84-L116 WeakPolarHBondContact O-CB 3.2Å; R84-L116 PolarHBondContact O-N 2.8Å; R84-L116 VanDerWaalsContact O-O 3.07Å; R84-L118 HydrophobicContact CB-CD1 4.28Å; R84-P204 HydrophobicContact CB-CB 4.36Å; R84-P204 HydrophobicContact CG-CB 4.25Å; R84-R205 CarbonylContact C-O 3.58Å; R84-R205 WeakPolarHBondContact CA-O 3.42Å; R84-R205 WeakPolarHBondContact CB-O 3.39Å; R84-R205 WeakPolarHBondContact CD-O 3.4Å; R84-L206 VanDerWaalsContact CZ-CD2 3.41Å |
| 85 | R | 97.9 | Very high | 85.6 | Confident | 42 Ų | 42 | 61.3 Ų | 61.3 | 16% | 0.158 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 137.7 | 161.5 | -59.9 | -178.2 | 171.7 | 75 | 1.7 | 108.6 | S114 P204 R205 L206 | R85-S114 WeakPolarHBondContact CG-O 3.48Å; R85-S114 PolarHBondContact NE-OG 2.79Å; R85-P204 CarbonylContact O-C 3.52Å; R85-P204 WeakPolarHBondContact O-CA 3.34Å; R85-R205 PolarHBondContact N-O 2.86Å; R85-R205 PolarHBondContact O-N 2.94Å; R85-L206 PolarHBondContact NH1-OXT 2.98Å |
| 86 | L | 98.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 98.7 | 177.1 | -65 | -179.3 | 0 | 0 | 0 | 109.5 | H95 L96 L116 L118 I128 Y169 F202 P204 | L86-H95 CarbonylContact O-C 3.58Å; L86-H95 WeakPolarHBondContact O-CA 3.14Å; L86-L96 HydrophobicContact CB-CB 4.07Å; L86-L96 HydrophobicContact CD1-CD2 4.12Å; L86-L96 PolarHBondContact O-N 3.01Å; L86-L116 HydrophobicContact CB-CD1 4.32Å; L86-L116 HydrophobicContact CD1-CD1 3.95Å; L86-L116 HydrophobicContact CG-CD1 3.98Å; L86-L118 HydrophobicContact CD2-CD1 4.45Å; L86-L118 HydrophobicContact CD2-CD2 4.13Å; L86-L118 HydrophobicContact CG-CD1 4.48Å; L86-I128 HydrophobicContact CD1-CD1 4.01Å; L86-I128 HydrophobicContact CD1-CG2 4.31Å; L86-Y169 HydrophobicContact CD1-CD2 4.4Å; L86-Y169 HydrophobicContact CD1-CE2 3.82Å; L86-Y169 HydrophobicContact CD2-CE2 3.97Å; L86-Y169 WeakPolarHBondContact CD2-OH 3.33Å; L86-Y169 HydrophobicContact CG-CE2 4.47Å; L86-F202 HydrophobicContact CB-CB 4.29Å; L86-F202 HydrophobicContact CB-CD1 3.91Å; L86-F202 HydrophobicContact CB-CG 4.4Å; L86-P204 HydrophobicContact CD2-CB 4.19Å; L86-P204 HydrophobicContact CD2-CG 4.05Å |
| 87 | Y | 98.5 | Very high | 90.5 | Very high | 41 Ų | 41 | 51.3 Ų | 51.3 | 16% | 0.161 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 121 | -177.1 | 177.1 | -105 | 0 | 0 | 0 | 112.2 | N89 G93 H95 F202 L203 | Y87-N89 HydrophobicContact CD1-CB 4.48Å; Y87-N89 HydrophobicContact CE1-CB 3.75Å; Y87-G93 WeakPolarHBondContact OH-CA 3.44Å; Y87-H95 AromaticContact CD2-CD2 3.82Å; Y87-H95 AromaticContact CD2-CE1 3.79Å; Y87-H95 AromaticContact CD2-NE2 3.43Å; Y87-H95 WeakPolarHBondContact CD2-NE2 3.32Å; Y87-H95 AromaticContact CG-NE2 3.92Å; Y87-F202 CarbonylContact O-C 3.58Å; Y87-F202 VanDerWaalsContact O-CA 3.3Å; Y87-F202 WeakPolarHBondContact O-CA 3.36Å; Y87-L203 PolarHBondContact N-O 3.38Å; Y87-L203 PolarHBondContact O-N 3.15Å |
| 88 | C | 98.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 119.3 | 172.3 | -169.4 | 0 | 0 | 0 | 0 | 110.5 | V90 G93 F94 L181 H201 F202 | C88-V90 VanDerWaalsContact C-N 3.28Å; C88-V90 HydrophobicContact CB-CG2 4.35Å; C88-V90 PolarHBondContact O-N 2.87Å; C88-V90 VanDerWaalsContact SG-CG2 3.59Å; C88-G93 WeakPolarHBondContact O-CA 3.34Å; C88-F94 PolarHBondContact N-O 3.44Å; C88-F94 PolarHBondContact O-N 2.94Å; C88-L181 HydrophobicContact CB-CB 4.34Å; C88-L181 HydrophobicContact CB-CD1 4.12Å; C88-H201 WeakPolarHBondContact CA-O 3.21Å; C88-H201 PolarHBondContact SG-O 2.83Å; C88-F202 HydrophobicContact CB-CD1 3.81Å; C88-F202 HydrophobicContact CB-CE1 3.62Å; C88-F202 HydrophobicContact CB-CZ 4.22Å |
| 89 | N | 97.6 | Very high | 94.7 | Very high | 87 Ų | 87 | 44.7 Ų | 44.7 | 47% | 0.465 | 24% | 0.239 | S | C | . | . | trans | -83.1 | 67.6 | -179 | -168.2 | 11.2 | 0 | 0 | 0 | 112 | Y87 Y166 | Y87-N89 HydrophobicContact CD1-CB 4.48Å; Y87-N89 HydrophobicContact CE1-CB 3.75Å; N89-Y166 HydrophobicContact CB-CE1 4.2Å | ||
| 90 | V | 96.9 | Very high | 96.4 | Very high | 11 Ų | 11 | 46.1 Ų | 46.1 | 7% | 0.067 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -132 | 140.6 | 177.7 | -65.3 | 0 | 0 | 0 | 0 | 111.4 | C88 I92 G93 F94 K198 V199 | C88-V90 VanDerWaalsContact C-N 3.28Å; C88-V90 HydrophobicContact CB-CG2 4.35Å; C88-V90 PolarHBondContact O-N 2.87Å; C88-V90 VanDerWaalsContact SG-CG2 3.59Å; V90-I92 PolarHBondContact O-N 3.04Å; V90-G93 WeakPolarHBondContact O-CA 3.37Å; V90-G93 PolarHBondContact O-N 3.28Å; V90-F94 HydrophobicContact CG2-CD2 4.21Å; V90-F94 VanDerWaalsContact O-CD2 3.31Å; V90-F94 WeakPolarHBondContact O-CD2 3.44Å; V90-F94 VanDerWaalsContact O-CE2 3.25Å; V90-F94 WeakPolarHBondContact O-CE2 3.47Å; V90-K198 HydrophobicContact CG1-CB 4.25Å; V90-V199 HydrophobicContact CG1-CG1 4.09Å |
| 91 | G | 96.4 | Very high | 97.2 | Very high | 54 Ų | 54 | 45.1 Ų | 45.1 | 56% | 0.557 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | -122.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | G93 | G91-G93 VanDerWaalsContact C-N 3.28Š|
| 92 | I | 96.9 | Very high | 97.5 | Very high | 113 Ų | 113 | 39.5 Ų | 39.5 | 58% | 0.579 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -1.3 | 173 | 62.3 | 172.3 | 0 | 0 | 0 | 113.3 | V90 F94 H108 | V90-I92 PolarHBondContact O-N 3.04Å; I92-F94 HydrophobicContact CD1-CE1 4.18Å; I92-F94 HydrophobicContact CD1-CZ 4.11Å; I92-F94 HydrophobicContact CG1-CE1 3.95Å; I92-F94 HydrophobicContact CG1-CE2 4.02Å; I92-F94 HydrophobicContact CG1-CZ 3.52Å; I92-H108 HydrophobicContact CD1-CB 3.8Å; I92-H108 HydrophobicContact CG1-CB 4.34Å; I92-H108 PolarHBondContact O-CE1 2.64Å; I92-H108 PolarHBondContact O-ND1 2.84Å |
| 93 | G | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | 86.9 | 136.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y87 C88 V90 G91 H108 | Y87-G93 WeakPolarHBondContact OH-CA 3.44Å; C88-G93 WeakPolarHBondContact O-CA 3.34Å; V90-G93 WeakPolarHBondContact O-CA 3.37Å; V90-G93 PolarHBondContact O-N 3.28Å; G91-G93 VanDerWaalsContact C-N 3.28Å; G93-H108 PolarHBondContact O-ND1 3.43Å | ||
| 94 | F | 98.6 | Very high | 97.8 | Very high | 16 Ų | 16 | 41 Ų | 41 | 7% | 0.07 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 136.8 | -176.4 | -59.3 | -85.6 | 0 | 0 | 0 | 111.7 | C88 V90 I92 A107 H108 L181 K183 G185 | C88-F94 PolarHBondContact N-O 3.44Å; C88-F94 PolarHBondContact O-N 2.94Å; V90-F94 HydrophobicContact CG2-CD2 4.21Å; V90-F94 VanDerWaalsContact O-CD2 3.31Å; V90-F94 WeakPolarHBondContact O-CD2 3.44Å; V90-F94 VanDerWaalsContact O-CE2 3.25Å; V90-F94 WeakPolarHBondContact O-CE2 3.47Å; I92-F94 HydrophobicContact CD1-CE1 4.18Å; I92-F94 HydrophobicContact CD1-CZ 4.11Å; I92-F94 HydrophobicContact CG1-CE1 3.95Å; I92-F94 HydrophobicContact CG1-CE2 4.02Å; I92-F94 HydrophobicContact CG1-CZ 3.52Å; F94-A107 CarbonylContact C-O 3.53Å; F94-A107 WeakPolarHBondContact CA-O 3.12Å; F94-H108 HydrophobicContact CD1-CB 4.4Å; F94-H108 HydrophobicContact CE1-CB 4.46Å; F94-L181 HydrophobicContact CB-CD1 3.91Å; F94-K183 VanDerWaalsContact CE2-O 3.29Å; F94-K183 WeakPolarHBondContact CE2-O 3.18Å; F94-G185 VanDerWaalsContact CZ-N 3.33Å |
| 95 | H | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 38 Ų | 38 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 132.9 | 166.5 | -59.3 | 99 | 0 | 0 | 0 | 110.2 | L86 Y87 Q97 G106 A107 H108 D110 R205 | L86-H95 CarbonylContact O-C 3.58Å; L86-H95 WeakPolarHBondContact O-CA 3.14Å; Y87-H95 AromaticContact CD2-CD2 3.82Å; Y87-H95 AromaticContact CD2-CE1 3.79Å; Y87-H95 AromaticContact CD2-NE2 3.43Å; Y87-H95 WeakPolarHBondContact CD2-NE2 3.32Å; Y87-H95 AromaticContact CG-NE2 3.92Å; H95-Q97 PolarHBondContact O-N 3.28Å; H95-G106 CarbonylContact O-C 3.45Å; H95-G106 VanDerWaalsContact O-CA 3.25Å; H95-G106 WeakPolarHBondContact O-CA 3.36Å; H95-A107 PolarHBondContact N-O 2.84Å; H95-A107 PolarHBondContact O-N 3.47Å; H95-H108 PolarHBondContact ND1-O 3.05Å; H95-D110 IonicContact CE1-OD1 2.73Å; H95-D110 PolarHBondContact CE1-OD1 3.4Å; H95-D110 IonicContact ND1-OD1 2.7Å; H95-D110 PolarHBondContact ND1-OD1 3.49Å; H95-D110 IonicContact NE2-OD1 3.14Å; H95-R205 PolarHBondContact CE1-NH1 3.35Å; H95-R205 PolarHBondContact NE2-NH1 3.38Å; H95-R205 VanDerWaalsContact NE2-NH1 3.12Å |
| 96 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 134 | 169.4 | -170 | 72.3 | 0 | 0 | 0 | 109.3 | L86 I104 S114 L116 V137 I179 L181 F202 | L86-L96 HydrophobicContact CB-CB 4.07Å; L86-L96 HydrophobicContact CD1-CD2 4.12Å; L86-L96 PolarHBondContact O-N 3.01Å; L96-I104 HydrophobicContact CD1-CG2 3.67Å; L96-I104 HydrophobicContact CG-CG2 4.35Å; L96-S114 WeakPolarHBondContact O-CA 3.4Å; L96-L116 HydrophobicContact CB-CD1 4.22Å; L96-L116 HydrophobicContact CD2-CD1 4.1Å; L96-L116 HydrophobicContact CG-CD1 4.41Å; L96-V137 HydrophobicContact CD2-CG2 4.35Å; L96-I179 HydrophobicContact CD1-CG2 4.25Å; L96-I179 HydrophobicContact CD2-CG2 4.22Å; L96-L181 HydrophobicContact CD1-CD1 4.41Å; L96-L181 HydrophobicContact CD1-CD2 4.04Å; L96-L181 HydrophobicContact CD1-CG 4.35Å; L96-F202 HydrophobicContact CB-CE1 4.28Å |
| 97 | Q | 98.1 | Very high | 97.8 | Very high | 26 Ų | 26 | 37.5 Ų | 37.5 | 12% | 0.121 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 146.6 | 176.4 | 63.8 | 178 | 10.9 | 0 | 0 | 111.2 | H95 L99 I104 G105 T111 D113 | H95-Q97 PolarHBondContact O-N 3.28Å; Q97-L99 HydrophobicContact CG-CD2 4.26Å; Q97-I104 WeakPolarHBondContact O-CA 3.24Å; Q97-G105 PolarHBondContact N-O 2.81Å; Q97-G105 PolarHBondContact O-N 3.44Å; Q97-T111 PolarHBondContact OE1-OG1 2.93Å; Q97-D113 WeakPolarHBondContact CA-O 3.18Å; Q97-D113 HydrophobicContact CB-CB 4.18Å; Q97-D113 WeakPolarHBondContact CB-O 3.43Å |
| 98 | A | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 113 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108 | I104 D113 S133 | A98-I104 HydrophobicContact CB-CD1 3.64Å; A98-D113 PolarHBondContact N-O 3.37Å; A98-D113 VanDerWaalsContact N-O 3.16Å; A98-S133 WeakPolarHBondContact CB-OG 3.45Å; A98-S133 WeakPolarHBondContact O-CB 3.44Å; A98-S133 PolarHBondContact O-OG 2.74Å |
| 99 | L | 98.2 | Very high | 97.5 | Very high | 31 Ų | 31 | 43.5 Ų | 43.5 | 16% | 0.162 | 25% | 0.251 | C | S | . | . | trans | -81.9 | 157.2 | -174.9 | -63.8 | 177.7 | 0 | 0 | 0 | 112 | Q97 D101 G102 R103 D113 S133 | Q97-L99 HydrophobicContact CG-CD2 4.26Å; L99-D101 VanDerWaalsContact CB-OD1 3.3Å; L99-D101 WeakPolarHBondContact CB-OD1 3.49Å; L99-D101 PolarHBondContact O-N 3.31Å; L99-D101 VanDerWaalsContact O-N 3.11Å; L99-G102 PolarHBondContact O-N 2.87Å; L99-R103 WeakPolarHBondContact CB-O 3.41Å; L99-R103 HydrophobicContact CD1-CB 4.17Å; L99-R103 PolarHBondContact N-O 3.16Å; L99-D113 HydrophobicContact CD2-CB 4.19Å; L99-S133 WeakPolarHBondContact O-CB 3.3Å | ||
| 100 | P | 97.4 | Very high | 97.2 | Very high | 88 Ų | 88 | 43.7 Ų | 43.7 | 57% | 0.571 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -17.7 | 178.9 | -25 | 34.9 | 0 | 0 | 0 | 115.3 | G102 F135 | P100-G102 VanDerWaalsContact C-N 3.32Å; P100-F135 WeakPolarHBondContact O-CE2 3.19Å |
| 101 | D | 96.9 | Very high | 97.2 | Very high | 90 Ų | 90 | 45.1 Ų | 45.1 | 48% | 0.481 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 7.3 | 175.6 | 64.6 | 5.4 | 0 | 0 | 0 | 113.3 | L99 R103 | L99-D101 VanDerWaalsContact CB-OD1 3.3Å; L99-D101 WeakPolarHBondContact CB-OD1 3.49Å; L99-D101 PolarHBondContact O-N 3.31Å; L99-D101 VanDerWaalsContact O-N 3.11Å; D101-R103 VanDerWaalsContact C-N 3.29Å; D101-R103 PolarHBondContact O-N 2.89Å; D101-R103 VanDerWaalsContact OD1-CB 3.28Å; D101-R103 WeakPolarHBondContact OD1-CB 3.34Å; D101-R103 PolarHBondContact OD1-N 3.4Å; D101-R103 IonicContact OD1-NE 3.21Å; D101-R103 PolarHBondContact OD1-NE 2.99Å; D101-R103 IonicContact OD2-CZ 3.49Å; D101-R103 IonicContact OD2-NE 2.86Å; D101-R103 PolarHBondContact OD2-NE 2.85Å; D101-R103 IonicContact OD2-NH2 3.58Å; D101-R103 PolarHBondContact OD2-NH2 2.8Å |
| 102 | G | 96.4 | Very high | 97.2 | Very high | 12 Ų | 12 | 52 Ų | 52 | 12% | 0.124 | 27% | 0.27 | C | S | . | . | S | Bend | trans | 78 | 6.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L99 P100 G147 | L99-G102 PolarHBondContact O-N 2.87Å; P100-G102 VanDerWaalsContact C-N 3.32Å; G102-G147 WeakPolarHBondContact O-CA 3.37Å; G102-G147 PolarHBondContact O-N 3.22Å |
| 103 | R | 98.3 | Very high | 97.2 | Very high | 160 Ų | 160 | 48.4 Ų | 48.4 | 60% | 0.604 | 25% | 0.253 | S | S | * | . | trans | -78.4 | 139.8 | 171 | -69 | -174 | -67.3 | 151.1 | -1.5 | 111 | L99 D101 | L99-R103 WeakPolarHBondContact CB-O 3.41Å; L99-R103 HydrophobicContact CD1-CB 4.17Å; L99-R103 PolarHBondContact N-O 3.16Å; D101-R103 VanDerWaalsContact C-N 3.29Å; D101-R103 PolarHBondContact O-N 2.89Å; D101-R103 VanDerWaalsContact OD1-CB 3.28Å; D101-R103 WeakPolarHBondContact OD1-CB 3.34Å; D101-R103 PolarHBondContact OD1-N 3.4Å; D101-R103 IonicContact OD1-NE 3.21Å; D101-R103 PolarHBondContact OD1-NE 2.99Å; D101-R103 IonicContact OD2-CZ 3.49Å; D101-R103 IonicContact OD2-NE 2.86Å; D101-R103 PolarHBondContact OD2-NE 2.85Å; D101-R103 IonicContact OD2-NH2 3.58Å; D101-R103 PolarHBondContact OD2-NH2 2.8Å | ||
| 104 | I | 98.7 | Very high | 97.2 | Very high | 14 Ų | 14 | 48.4 Ų | 48.4 | 7% | 0.072 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 138.3 | 170.6 | -53.7 | -55.3 | 0 | 0 | 0 | 108.5 | L96 Q97 A98 V137 L145 T187 | L96-I104 HydrophobicContact CD1-CG2 3.67Å; L96-I104 HydrophobicContact CG-CG2 4.35Å; Q97-I104 WeakPolarHBondContact O-CA 3.24Å; A98-I104 HydrophobicContact CB-CD1 3.64Å; I104-V137 HydrophobicContact CD1-CG2 4.14Å; I104-L145 HydrophobicContact CB-CB 4.04Å; I104-L145 HydrophobicContact CG1-CB 4.31Å; I104-L145 HydrophobicContact CG2-CB 4.19Å; I104-L145 HydrophobicContact CG2-CD1 4.2Å; I104-T187 HydrophobicContact CB-CG2 4.18Å; I104-T187 HydrophobicContact CG2-CG2 3.98Å; I104-T187 WeakPolarHBondContact O-CG2 3.46Å |
| 105 | G | 98 | Very high | 97.2 | Very high | 11 Ų | 11 | 49.8 Ų | 49.8 | 11% | 0.113 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | -172.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q97 | Q97-G105 PolarHBondContact N-O 2.81Å; Q97-G105 PolarHBondContact O-N 3.44Å |
| 106 | G | 98.1 | Very high | 97.2 | Very high | 16 Ų | 16 | 49.6 Ų | 49.6 | 17% | 0.165 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 135.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | H95 G185 | H95-G106 CarbonylContact O-C 3.45Å; H95-G106 VanDerWaalsContact O-CA 3.25Å; H95-G106 WeakPolarHBondContact O-CA 3.36Å; G106-G185 VanDerWaalsContact CA-O 3.28Å; G106-G185 WeakPolarHBondContact CA-O 3.32Å; G106-G185 PolarHBondContact N-O 2.87Å |
| 107 | A | 97.4 | Very high | 97.1 | Very high | 14 Ų | 14 | 51.6 Ų | 51.6 | 12% | 0.116 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 138.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | F94 H95 T111 | F94-A107 CarbonylContact C-O 3.53Å; F94-A107 WeakPolarHBondContact CA-O 3.12Å; H95-A107 PolarHBondContact N-O 2.84Å; H95-A107 PolarHBondContact O-N 3.47Å; A107-T111 HydrophobicContact CB-CG2 3.94Å |
| 108 | H | 96.5 | Very high | 97.1 | Very high | 105 Ų | 105 | 50.4 Ų | 50.4 | 49% | 0.486 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -69.8 | -45.7 | 178 | 179.9 | 61.5 | 0 | 0 | 0 | 111.5 | I92 G93 F94 H95 | I92-H108 HydrophobicContact CD1-CB 3.8Å; I92-H108 HydrophobicContact CG1-CB 4.34Å; I92-H108 PolarHBondContact O-CE1 2.64Å; I92-H108 PolarHBondContact O-ND1 2.84Å; G93-H108 PolarHBondContact O-ND1 3.43Å; F94-H108 HydrophobicContact CD1-CB 4.4Å; F94-H108 HydrophobicContact CE1-CB 4.46Å; H95-H108 PolarHBondContact ND1-O 3.05Å |
| 109 | A | 93.7 | Very high | 97 | Very high | 62 Ų | 62 | 51 Ų | 51 | 51% | 0.512 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -74.7 | 159 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T111 | A109-T111 PolarHBondContact O-N 2.82Š|
| 110 | D | 91.5 | Very high | 96.8 | Very high | 92 Ų | 92 | 51.1 Ų | 51.1 | 49% | 0.492 | 27% | 0.27 | S | S | . | . | trans | -76.1 | 92.7 | 171.5 | -68.4 | -9.6 | 0 | 0 | 0 | 109.2 | H95 | H95-D110 IonicContact CE1-OD1 2.73Å; H95-D110 PolarHBondContact CE1-OD1 3.4Å; H95-D110 IonicContact ND1-OD1 2.7Å; H95-D110 PolarHBondContact ND1-OD1 3.49Å; H95-D110 IonicContact NE2-OD1 3.14Å | ||
| 111 | T | 95.4 | Very high | 96.6 | Very high | 41 Ų | 41 | 49.2 Ų | 49.2 | 25% | 0.252 | 26% | 0.257 | S | S | . | . | trans | -88.6 | 164.8 | 177.8 | 64.5 | 0 | 0 | 0 | 0 | 111.6 | Q97 A107 A109 D113 S114 | Q97-T111 PolarHBondContact OE1-OG1 2.93Å; A107-T111 HydrophobicContact CB-CG2 3.94Å; A109-T111 PolarHBondContact O-N 2.82Å; T111-D113 PolarHBondContact O-N 2.97Å; T111-S114 PolarHBondContact N-OG 3.33Å; T111-S114 PolarHBondContact O-N 2.66Å; T111-S114 PolarHBondContact O-OG 2.88Å; T111-S114 PolarHBondContact OG1-N 3.35Å | ||
| 112 | R | 96.5 | Very high | 96.3 | Very high | 197 Ų | 197 | 48.8 Ų | 48.8 | 74% | 0.743 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -61.9 | -34.7 | 170.7 | -171.5 | -171.3 | 163.6 | -177.1 | -5.5 | 111.5 | S114 A132 | R112-S114 VanDerWaalsContact C-N 3.31Å; R112-S114 PolarHBondContact O-N 2.92Å; R112-A132 HydrophobicContact CG-CB 3.76Å; R112-A132 WeakPolarHBondContact O-CB 3.48Å |
| 113 | D | 97.8 | Very high | 96 | Very high | 38 Ų | 38 | 58.6 Ų | 58.6 | 20% | 0.203 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -78.2 | -12.3 | -177.3 | -58.5 | -42.6 | 0 | 0 | 0 | 113.8 | Q97 A98 L99 T111 | Q97-D113 WeakPolarHBondContact CA-O 3.18Å; Q97-D113 HydrophobicContact CB-CB 4.18Å; Q97-D113 WeakPolarHBondContact CB-O 3.43Å; A98-D113 PolarHBondContact N-O 3.37Å; A98-D113 VanDerWaalsContact N-O 3.16Å; L99-D113 HydrophobicContact CD2-CB 4.19Å; T111-D113 PolarHBondContact O-N 2.97Å |
| 114 | S | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -89.5 | -4.9 | 176.2 | 73.4 | 0 | 0 | 0 | 0 | 114 | R85 L96 T111 R112 L116 | R85-S114 WeakPolarHBondContact CG-O 3.48Å; R85-S114 PolarHBondContact NE-OG 2.79Å; L96-S114 WeakPolarHBondContact O-CA 3.4Å; T111-S114 PolarHBondContact N-OG 3.33Å; T111-S114 PolarHBondContact O-N 2.66Å; T111-S114 PolarHBondContact O-OG 2.88Å; T111-S114 PolarHBondContact OG1-N 3.35Å; R112-S114 VanDerWaalsContact C-N 3.31Å; R112-S114 PolarHBondContact O-N 2.92Å; S114-L116 PolarHBondContact O-N 3.15Å |
| 115 | L | 97.9 | Very high | 95.6 | Very high | 45 Ų | 45 | 52.4 Ų | 52.4 | 24% | 0.236 | 27% | 0.273 | C | S | . | . | trans | -78.8 | 116.1 | 173.1 | -173.6 | 65.4 | 0 | 0 | 0 | 110.1 | L83 V131 | L83-L115 HydrophobicContact CB-CD1 4.46Å; L115-V131 HydrophobicContact CG-CG2 4.26Å; L115-V131 PolarHBondContact O-N 3.45Å; L115-V131 VanDerWaalsContact O-N 3.16Å | ||
| 116 | L | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 137.7 | -173.9 | -53.2 | 174.1 | 0 | 0 | 0 | 110.4 | L83 R84 L86 L96 S114 L118 I128 F129 | L83-L116 CarbonylContact C-O 3.56Å; L83-L116 WeakPolarHBondContact CA-O 3.31Å; R84-L116 PolarHBondContact N-O 3.07Å; R84-L116 WeakPolarHBondContact O-CA 3.45Å; R84-L116 WeakPolarHBondContact O-CB 3.2Å; R84-L116 PolarHBondContact O-N 2.8Å; R84-L116 VanDerWaalsContact O-O 3.07Å; L86-L116 HydrophobicContact CB-CD1 4.32Å; L86-L116 HydrophobicContact CD1-CD1 3.95Å; L86-L116 HydrophobicContact CG-CD1 3.98Å; L96-L116 HydrophobicContact CB-CD1 4.22Å; L96-L116 HydrophobicContact CD2-CD1 4.1Å; L96-L116 HydrophobicContact CG-CD1 4.41Å; S114-L116 PolarHBondContact O-N 3.15Å; L116-L118 HydrophobicContact CB-CD1 3.97Å; L116-I128 HydrophobicContact CB-CG2 4.05Å; L116-I128 HydrophobicContact CD1-CG2 3.75Å; L116-I128 HydrophobicContact CD2-CG2 4.42Å; L116-I128 HydrophobicContact CG-CG2 4.28Å; L116-F129 CarbonylContact C-O 3.59Å; L116-F129 WeakPolarHBondContact CA-O 3.07Å |
| 117 | E | 97.8 | Very high | 95.6 | Very high | 42 Ų | 42 | 51.7 Ų | 51.7 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 112.6 | 165.8 | -177.8 | -174 | 119.5 | 0 | 0 | 108.5 | K81 L83 S119 F129 V131 | K81-E117 HydrophobicContact CB-CG 4.17Å; K81-E117 HydrophobicContact CD-CG 4.42Å; K81-E117 VanDerWaalsContact CD-OE1 3.32Å; K81-E117 WeakPolarHBondContact CD-OE1 3.15Å; K81-E117 VanDerWaalsContact CE-OE1 3.27Å; K81-E117 WeakPolarHBondContact CE-OE1 3.5Å; K81-E117 IonicContact NZ-OE1 2.76Å; K81-E117 PolarHBondContact NZ-OE1 3.01Å; K81-E117 IonicContact NZ-OE2 3.84Å; L83-E117 HydrophobicContact CD2-CB 3.91Å; L83-E117 HydrophobicContact CD2-CG 4.4Å; E117-S119 PolarHBondContact OE1-OG 2.92Å; E117-F129 HydrophobicContact CB-CB 4.3Å; E117-F129 PolarHBondContact N-O 3.11Å; E117-F129 PolarHBondContact O-N 2.97Å; E117-V131 HydrophobicContact CB-CG2 4.13Å |
| 118 | L | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 109.1 | 170.9 | -78.3 | 72.5 | 0 | 0 | 0 | 108.5 | R82 R84 L86 L116 S127 I128 Y169 | R82-L118 HydrophobicContact CB-CB 4.27Å; R82-L118 PolarHBondContact N-O 3.13Å; R82-L118 PolarHBondContact O-N 2.83Å; R84-L118 HydrophobicContact CB-CD1 4.28Å; L86-L118 HydrophobicContact CD2-CD1 4.45Å; L86-L118 HydrophobicContact CD2-CD2 4.13Å; L86-L118 HydrophobicContact CG-CD1 4.48Å; L116-L118 HydrophobicContact CB-CD1 3.97Å; L118-S127 WeakPolarHBondContact CA-O 3.41Å; L118-I128 HydrophobicContact CD1-CG2 4.49Å; L118-I128 HydrophobicContact CG-CG1 4.39Å; L118-Y169 HydrophobicContact CD2-CE1 4.41Å |
| 119 | S | 95.6 | Very high | 95.7 | Very high | 13 Ų | 13 | 47.4 Ų | 47.4 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 124.2 | -177.9 | -75.5 | 0 | 0 | 0 | 0 | 109.9 | K81 E117 V121 V126 S127 | K81-S119 WeakPolarHBondContact CG-OG 3.37Å; E117-S119 PolarHBondContact OE1-OG 2.92Å; S119-V121 PolarHBondContact O-N 3.4Å; S119-V126 WeakPolarHBondContact O-CA 3.35Å; S119-S127 WeakPolarHBondContact CB-OG 3.4Å; S119-S127 PolarHBondContact N-O 2.87Å; S119-S127 PolarHBondContact O-N 3.03Å; S119-S127 PolarHBondContact O-OG 3.16Å; S119-S127 VanDerWaalsContact O-OG 3.13Å |
| 120 | P | 94.5 | Very high | 95.9 | Very high | 34 Ų | 34 | 44.5 Ų | 44.5 | 22% | 0.221 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 135.2 | 177.3 | 27.4 | -31.6 | 0 | 0 | 0 | 109.8 | L77 | L77-P120 WeakPolarHBondContact O-CB 3.46Å |
| 121 | V | 93.4 | Very high | 96.2 | Very high | 48 Ų | 48 | 42.2 Ų | 42.2 | 29% | 0.291 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | -48.8 | 178.2 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | S119 V125 F151 K156 | S119-V121 PolarHBondContact O-N 3.4Å; V121-V125 HydrophobicContact CB-CG1 4.39Å; V121-V125 PolarHBondContact N-O 3.47Å; V121-F151 HydrophobicContact CG1-CZ 4.12Å; V121-F151 HydrophobicContact CG2-CE2 4.33Å; V121-F151 HydrophobicContact CG2-CZ 3.92Å; V121-K156 HydrophobicContact CG1-CD 4.17Å; V121-K156 HydrophobicContact CG1-CG 4.31Å |
| 122 | E | 91.6 | Very high | 96.3 | Very high | 80 Ų | 80 | 41.4 Ų | 41.4 | 37% | 0.374 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 175.5 | 177.5 | -68 | 163.7 | -140.1 | 0 | 0 | 107.8 | G124 V125 K156 | E122-G124 PolarHBondContact O-N 3.29Å; E122-V125 HydrophobicContact CB-CB 4.18Å; E122-V125 HydrophobicContact CB-CG2 4.37Å; E122-V125 PolarHBondContact N-O 2.8Å; E122-V125 PolarHBondContact O-N 3.4Å; E122-V125 VanDerWaalsContact O-O 3.05Å; E122-K156 IonicContact OE1-NZ 3.74Å |
| 123 | R | 89.4 | Confident | 96.4 | Very high | 219 Ų | 219 | 32.7 Ų | 32.7 | 83% | 0.826 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 116.8 | -179.7 | -175.4 | 178.8 | 179.1 | 179.2 | 1.4 | 111 | V125 | R123-V125 PolarHBondContact O-N 3.43Š|
| 124 | G | 91.6 | Very high | 96.4 | Very high | 35 Ų | 35 | 39 Ų | 39 | 36% | 0.361 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 5.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | E122 K158 E159 | E122-G124 PolarHBondContact O-N 3.29Å; G124-K158 CarbonylContact O-C 3.54Å; G124-K158 WeakPolarHBondContact O-CA 3.19Å; G124-E159 PolarHBondContact O-N 2.98Å |
| 125 | V | 96.8 | Very high | 96.5 | Very high | 8 Ų | 8 | 41 Ų | 41 | 5% | 0.048 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 129.4 | 178 | -175.4 | 0 | 0 | 0 | 0 | 109.2 | V121 E122 R123 K156 F157 K158 Y172 | V121-V125 HydrophobicContact CB-CG1 4.39Å; V121-V125 PolarHBondContact N-O 3.47Å; E122-V125 HydrophobicContact CB-CB 4.18Å; E122-V125 HydrophobicContact CB-CG2 4.37Å; E122-V125 PolarHBondContact N-O 2.8Å; E122-V125 PolarHBondContact O-N 3.4Å; E122-V125 VanDerWaalsContact O-O 3.05Å; R123-V125 PolarHBondContact O-N 3.43Å; V125-K156 HydrophobicContact CG1-CB 3.89Å; V125-K156 HydrophobicContact CG1-CG 4.47Å; V125-F157 CarbonylContact C-O 3.51Å; V125-F157 WeakPolarHBondContact CA-O 3.45Å; V125-K158 HydrophobicContact CG2-CG 4.17Å; V125-Y172 HydrophobicContact CG1-CD2 4.06Å; V125-Y172 HydrophobicContact CG1-CG 4.4Å; V125-Y172 HydrophobicContact CG2-CD2 3.8Å; V125-Y172 HydrophobicContact CG2-CE2 4Å |
| 126 | V | 97.4 | Very high | 96.5 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.024 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 151.9 | -177.9 | -59.9 | 0 | 0 | 0 | 0 | 111 | S119 I128 F157 E159 Y169 | S119-V126 WeakPolarHBondContact O-CA 3.35Å; V126-I128 HydrophobicContact CG2-CG1 4.24Å; V126-F157 HydrophobicContact CG2-CB 4.49Å; V126-F157 PolarHBondContact N-O 3.26Å; V126-F157 PolarHBondContact O-N 2.76Å; V126-E159 HydrophobicContact CG1-CB 4.28Å; V126-E159 HydrophobicContact CG2-CB 4.23Å; V126-Y169 HydrophobicContact CG2-CD1 4.07Å; V126-Y169 HydrophobicContact CG2-CE1 3.99Å |
| 127 | S | 98.2 | Very high | 96.5 | Very high | 9 Ų | 9 | 40.7 Ų | 40.7 | 6% | 0.063 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 148.3 | 157.5 | 63.3 | 0 | 0 | 0 | 0 | 108.6 | L118 S119 | L118-S127 WeakPolarHBondContact CA-O 3.41Å; S119-S127 WeakPolarHBondContact CB-OG 3.4Å; S119-S127 PolarHBondContact N-O 2.87Å; S119-S127 PolarHBondContact O-N 3.03Å; S119-S127 PolarHBondContact O-OG 3.16Å; S119-S127 VanDerWaalsContact O-OG 3.13Å |
| 128 | I | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 110.2 | 179.6 | -54.8 | 172.1 | 0 | 0 | 0 | 106.9 | L86 L116 L118 V126 F136 V137 F157 Y169 I179 | L86-I128 HydrophobicContact CD1-CD1 4.01Å; L86-I128 HydrophobicContact CD1-CG2 4.31Å; L116-I128 HydrophobicContact CB-CG2 4.05Å; L116-I128 HydrophobicContact CD1-CG2 3.75Å; L116-I128 HydrophobicContact CD2-CG2 4.42Å; L116-I128 HydrophobicContact CG-CG2 4.28Å; L118-I128 HydrophobicContact CD1-CG2 4.49Å; L118-I128 HydrophobicContact CG-CG1 4.39Å; V126-I128 HydrophobicContact CG2-CG1 4.24Å; I128-F136 WeakPolarHBondContact O-CA 3.3Å; I128-V137 HydrophobicContact CB-CB 4.12Å; I128-V137 HydrophobicContact CB-CG2 4.12Å; I128-V137 HydrophobicContact CG2-CB 4.32Å; I128-V137 HydrophobicContact CG2-CG2 3.77Å; I128-V137 PolarHBondContact O-N 2.74Å; I128-F157 HydrophobicContact CD1-CD2 4.11Å; I128-F157 HydrophobicContact CG1-CD2 4.41Å; I128-Y169 HydrophobicContact CD1-CD1 4.1Å; I128-Y169 HydrophobicContact CD1-CE1 4.42Å; I128-Y169 HydrophobicContact CD1-CG 4.29Å; I128-I179 HydrophobicContact CD1-CD1 3.75Å |
| 129 | F | 98.6 | Very high | 96.7 | Very high | 29 Ų | 29 | 38.7 Ų | 38.7 | 13% | 0.127 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 125.1 | -174.2 | -178.1 | -105.8 | 0 | 0 | 0 | 111.4 | L116 E117 V131 R134 F136 | L116-F129 CarbonylContact C-O 3.59Å; L116-F129 WeakPolarHBondContact CA-O 3.07Å; E117-F129 HydrophobicContact CB-CB 4.3Å; E117-F129 PolarHBondContact N-O 3.11Å; E117-F129 PolarHBondContact O-N 2.97Å; F129-V131 PolarHBondContact O-N 2.8Å; F129-R134 VanDerWaalsContact CE2-C 3.44Å; F129-R134 WeakPolarHBondContact CE2-O 3.32Å; F129-R134 VanDerWaalsContact CZ-CA 3.45Å; F129-R134 HydrophobicContact CZ-CB 4Å; F129-F136 HydrophobicContact CB-CD1 4.07Å; F129-F136 HydrophobicContact CB-CE1 4.05Å; F129-F136 AromaticContact CD2-CD1 3.76Å; F129-F136 HydrophobicContact CD2-CD1 3.76Å; F129-F136 AromaticContact CD2-CD2 3.92Å; F129-F136 HydrophobicContact CD2-CD2 3.92Å; F129-F136 AromaticContact CD2-CE1 3.69Å; F129-F136 HydrophobicContact CD2-CE1 3.69Å; F129-F136 AromaticContact CD2-CE2 3.84Å; F129-F136 HydrophobicContact CD2-CE2 3.84Å; F129-F136 AromaticContact CD2-CG 3.88Å; F129-F136 HydrophobicContact CD2-CG 3.88Å; F129-F136 AromaticContact CD2-CZ 3.73Å; F129-F136 HydrophobicContact CD2-CZ 3.73Å; F129-F136 HydrophobicContact CE2-CD2 4.2Å; F129-F136 AromaticContact CE2-CE2 3.95Å; F129-F136 HydrophobicContact CE2-CE2 3.95Å; F129-F136 HydrophobicContact CE2-CZ 4.14Å; F129-F136 HydrophobicContact CG-CD1 4.39Å; F129-F136 HydrophobicContact CG-CE1 4.21Å |
| 130 | G | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 110.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | A132 R134 F135 | G130-A132 VanDerWaalsContact C-N 3.33Å; G130-A132 PolarHBondContact O-N 2.81Å; G130-R134 WeakPolarHBondContact O-CA 3.38Å; G130-R134 PolarHBondContact O-N 3.41Å; G130-F135 PolarHBondContact N-O 2.93Å |
| 131 | V | 97.7 | Very high | 97 | Very high | 45 Ų | 45 | 41 Ų | 41 | 27% | 0.273 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -42.3 | -174.1 | 176.7 | 0 | 0 | 0 | 0 | 111.5 | L83 L115 E117 F129 R134 | L83-V131 HydrophobicContact CD2-CG2 3.68Å; L115-V131 HydrophobicContact CG-CG2 4.26Å; L115-V131 PolarHBondContact O-N 3.45Å; L115-V131 VanDerWaalsContact O-N 3.16Å; E117-V131 HydrophobicContact CB-CG2 4.13Å; F129-V131 PolarHBondContact O-N 2.8Å; V131-R134 WeakPolarHBondContact O-CD 3.48Å; V131-R134 PolarHBondContact O-NE 3.34Å |
| 132 | A | 97.6 | Very high | 97.2 | Very high | 24 Ų | 24 | 46.1 Ų | 46.1 | 20% | 0.198 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -46.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R112 G130 | R112-A132 HydrophobicContact CG-CB 3.76Å; R112-A132 WeakPolarHBondContact O-CB 3.48Å; G130-A132 VanDerWaalsContact C-N 3.33Å; G130-A132 PolarHBondContact O-N 2.81Å |
| 133 | S | 98 | Very high | 97.6 | Very high | 13 Ų | 13 | 42.3 Ų | 42.3 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -15.9 | -173.9 | 58.3 | 0 | 0 | 0 | 0 | 114 | A98 L99 F135 | A98-S133 WeakPolarHBondContact CB-OG 3.45Å; A98-S133 WeakPolarHBondContact O-CB 3.44Å; A98-S133 PolarHBondContact O-OG 2.74Å; L99-S133 WeakPolarHBondContact O-CB 3.3Å; S133-F135 WeakPolarHBondContact O-CD2 3.38Å; S133-F135 PolarHBondContact O-N 2.81Å |
| 134 | R | 98.2 | Very high | 98 | Very high | 171 Ų | 171 | 38.4 Ų | 38.4 | 65% | 0.645 | 20% | 0.196 | S | C | * | . | trans | 60.6 | 26.3 | -177.1 | -53.4 | -62.6 | -174 | 149.2 | 1 | 114.1 | F129 G130 V131 | F129-R134 VanDerWaalsContact CE2-C 3.44Å; F129-R134 WeakPolarHBondContact CE2-O 3.32Å; F129-R134 VanDerWaalsContact CZ-CA 3.45Å; F129-R134 HydrophobicContact CZ-CB 4Å; G130-R134 WeakPolarHBondContact O-CA 3.38Å; G130-R134 PolarHBondContact O-N 3.41Å; V131-R134 WeakPolarHBondContact O-CD 3.48Å; V131-R134 PolarHBondContact O-NE 3.34Å | ||
| 135 | F | 98.6 | Very high | 98.4 | Very high | 42 Ų | 42 | 37.1 Ų | 37.1 | 18% | 0.184 | 18% | 0.181 | C | C | . | . | trans | -105.9 | 138.8 | 173.5 | -75.8 | -79.4 | 0 | 0 | 0 | 111.4 | P100 G130 S133 G147 S148 P149 | P100-F135 WeakPolarHBondContact O-CE2 3.19Å; G130-F135 PolarHBondContact N-O 2.93Å; S133-F135 WeakPolarHBondContact O-CD2 3.38Å; S133-F135 PolarHBondContact O-N 2.81Å; F135-G147 VanDerWaalsContact CD1-C 3.46Å; F135-G147 WeakPolarHBondContact CD1-O 3.24Å; F135-S148 VanDerWaalsContact CD1-C 3.46Å; F135-P149 HydrophobicContact CD1-CB 4.19Å; F135-P149 HydrophobicContact CE1-CB 3.83Å; F135-P149 HydrophobicContact CE1-CG 4.13Å | ||
| 136 | F | 98.8 | Very high | 98.5 | Very high | 39 Ų | 39 | 40 Ų | 40 | 17% | 0.171 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 136.1 | 161.4 | -67.5 | -84.3 | 0 | 0 | 0 | 109.4 | I128 F129 A138 G147 S148 F151 C155 | I128-F136 WeakPolarHBondContact O-CA 3.3Å; F129-F136 HydrophobicContact CB-CD1 4.07Å; F129-F136 HydrophobicContact CB-CE1 4.05Å; F129-F136 AromaticContact CD2-CD1 3.76Å; F129-F136 HydrophobicContact CD2-CD1 3.76Å; F129-F136 AromaticContact CD2-CD2 3.92Å; F129-F136 HydrophobicContact CD2-CD2 3.92Å; F129-F136 AromaticContact CD2-CE1 3.69Å; F129-F136 HydrophobicContact CD2-CE1 3.69Å; F129-F136 AromaticContact CD2-CE2 3.84Å; F129-F136 HydrophobicContact CD2-CE2 3.84Å; F129-F136 AromaticContact CD2-CG 3.88Å; F129-F136 HydrophobicContact CD2-CG 3.88Å; F129-F136 AromaticContact CD2-CZ 3.73Å; F129-F136 HydrophobicContact CD2-CZ 3.73Å; F129-F136 HydrophobicContact CE2-CD2 4.2Å; F129-F136 AromaticContact CE2-CE2 3.95Å; F129-F136 HydrophobicContact CE2-CE2 3.95Å; F129-F136 HydrophobicContact CE2-CZ 4.14Å; F129-F136 HydrophobicContact CG-CD1 4.39Å; F129-F136 HydrophobicContact CG-CE1 4.21Å; F136-A138 PolarHBondContact O-N 2.83Å; F136-G147 CarbonylContact O-C 3.51Å; F136-G147 VanDerWaalsContact O-CA 3.3Å; F136-G147 WeakPolarHBondContact O-CA 3.35Å; F136-S148 PolarHBondContact N-O 2.79Å; F136-S148 PolarHBondContact O-N 3.13Å; F136-F151 AromaticContact CD1-CD2 3.97Å; F136-F151 HydrophobicContact CD1-CD2 3.97Å; F136-F151 HydrophobicContact CD2-CB 4.25Å; F136-F151 HydrophobicContact CE1-CB 4.42Å; F136-F151 AromaticContact CE1-CD2 3.89Å; F136-F151 HydrophobicContact CE1-CD2 3.89Å; F136-F151 HydrophobicContact CE2-CB 3.86Å; F136-F151 HydrophobicContact CG-CD2 4.4Å; F136-F151 HydrophobicContact CZ-CB 3.95Å; F136-F151 HydrophobicContact CZ-CD2 4.27Å; F136-F151 HydrophobicContact CZ-CG 4.47Å; F136-C155 HydrophobicContact CB-CB 4.01Å; F136-C155 HydrophobicContact CG-CB 4.44Å |
| 137 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 130.6 | 162.8 | -177.9 | 0 | 0 | 0 | 0 | 107.1 | L96 I104 I128 L145 C155 F157 I179 | L96-V137 HydrophobicContact CD2-CG2 4.35Å; I104-V137 HydrophobicContact CD1-CG2 4.14Å; I128-V137 HydrophobicContact CB-CB 4.12Å; I128-V137 HydrophobicContact CB-CG2 4.12Å; I128-V137 HydrophobicContact CG2-CB 4.32Å; I128-V137 HydrophobicContact CG2-CG2 3.77Å; I128-V137 PolarHBondContact O-N 2.74Å; V137-L145 HydrophobicContact CG1-CD2 4.26Å; V137-C155 WeakPolarHBondContact O-CA 3.49Å; V137-F157 HydrophobicContact CB-CE2 4.45Å; V137-F157 HydrophobicContact CG1-CE2 4.29Å; V137-F157 HydrophobicContact CG1-CZ 4.22Å; V137-F157 VanDerWaalsContact O-CE2 3.3Å; V137-F157 WeakPolarHBondContact O-CE2 3.37Å; V137-I179 HydrophobicContact CG1-CD1 4.24Å |
| 138 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 156.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F136 L145 Y146 E154 | F136-A138 PolarHBondContact O-N 2.83Å; A138-L145 WeakPolarHBondContact O-CA 3.37Å; A138-Y146 HydrophobicContact CB-CD1 4.16Å; A138-Y146 HydrophobicContact CB-CD2 4.26Å; A138-Y146 HydrophobicContact CB-CE1 3.7Å; A138-Y146 HydrophobicContact CB-CE2 3.81Å; A138-Y146 HydrophobicContact CB-CG 4.42Å; A138-Y146 PolarHBondContact N-O 2.84Å; A138-Y146 PolarHBondContact O-N 2.96Å; A138-E154 CarbonylContact C-O 3.47Å; A138-E154 VanDerWaalsContact CA-O 3.24Å; A138-E154 WeakPolarHBondContact CA-O 3.44Å; A138-E154 HydrophobicContact CB-CB 4.27Å |
| 139 | M | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 121.3 | 176.8 | -172.4 | 177.2 | -62.8 | 0 | 0 | 112 | L145 E154 F157 Y174 M177 F178 I179 | M139-L145 HydrophobicContact CB-CD2 4.1Å; M139-L145 HydrophobicContact CE-CD2 3.58Å; M139-L145 HydrophobicContact CE-CG 4.32Å; M139-L145 HydrophobicContact CG-CD2 4.41Å; M139-E154 PolarHBondContact N-O 2.95Å; M139-E154 WeakPolarHBondContact O-CB 3.39Å; M139-E154 WeakPolarHBondContact O-CG 3.47Å; M139-F157 HydrophobicContact CB-CE1 4Å; M139-F157 HydrophobicContact CB-CZ 4.23Å; M139-F157 HydrophobicContact CE-CE1 4.31Å; M139-Y174 WeakPolarHBondContact O-CE2 3.43Å; M139-M177 HydrophobicContact SD-CB 3.48Å; M139-M177 WeakPolarHBondContact SD-CB 3.45Å; M139-M177 HydrophobicContact SD-SD 4.37Å; M139-F178 WeakPolarHBondContact CE-O 3.3Å; M139-I179 HydrophobicContact CE-CG1 4.34Å |
| 140 | S | 98.8 | Very high | 98.4 | Very high | 25 Ų | 25 | 49.8 Ų | 49.8 | 18% | 0.175 | 25% | 0.245 | C | C | . | . | trans | -73.4 | 163.2 | 175.7 | 61.3 | 0 | 0 | 0 | 0 | 112.6 | K142 G143 K144 | S140-K142 PolarHBondContact O-N 2.55Å; S140-G143 WeakPolarHBondContact O-CA 3.25Å; S140-G143 PolarHBondContact O-N 2.81Å; S140-K144 PolarHBondContact N-O 2.81Å; S140-K144 WeakPolarHBondContact OG-CB 3.21Å; S140-K144 PolarHBondContact OG-N 3.28Å; S140-K144 PolarHBondContact OG-O 3.48Å | ||
| 141 | S | 98.6 | Very high | 98.4 | Very high | 70 Ų | 70 | 54.3 Ų | 54.3 | 49% | 0.49 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -21.7 | 174.1 | 60 | 0 | 0 | 0 | 0 | 115 | G143 Y174 | S141-G143 VanDerWaalsContact C-N 3.25Å; S141-G143 PolarHBondContact O-N 2.95Å; S141-Y174 VanDerWaalsContact CA-CZ 3.5Å |
| 142 | K | 98.5 | Very high | 98.4 | Very high | 156 Ų | 156 | 54.8 Ų | 54.8 | 68% | 0.678 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 4.9 | 175.4 | -63.5 | -179.3 | -178.6 | 174.4 | 0 | 112.8 | S140 K144 | S140-K142 PolarHBondContact O-N 2.55Å; K142-K144 VanDerWaalsContact C-N 3.26Å; K142-K144 PolarHBondContact O-N 3.32Å |
| 143 | G | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | S | Bend | trans | 72.4 | 11.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S140 S141 K189 G190 | S140-G143 WeakPolarHBondContact O-CA 3.25Å; S140-G143 PolarHBondContact O-N 2.81Å; S141-G143 VanDerWaalsContact C-N 3.25Å; S141-G143 PolarHBondContact O-N 2.95Å; G143-K189 CarbonylContact O-C 3.57Å; G143-K189 VanDerWaalsContact O-CA 3.29Å; G143-K189 WeakPolarHBondContact O-CA 3.41Å; G143-G190 PolarHBondContact O-N 3.02Å |
| 144 | K | 98.6 | Very high | 98.4 | Very high | 137 Ų | 137 | 58.1 Ų | 58.1 | 60% | 0.596 | 28% | 0.28 | S | S | * | . | trans | -82.5 | 128.4 | 177.7 | -176.5 | -174.7 | 175.5 | -171.9 | 0 | 109.5 | S140 K142 | S140-K144 PolarHBondContact N-O 2.81Å; S140-K144 WeakPolarHBondContact OG-CB 3.21Å; S140-K144 PolarHBondContact OG-N 3.28Å; S140-K144 PolarHBondContact OG-O 3.48Å; K142-K144 VanDerWaalsContact C-N 3.26Å; K142-K144 PolarHBondContact O-N 3.32Å | ||
| 145 | L | 98.8 | Very high | 98.5 | Very high | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 139.5 | 169.7 | -67.7 | 175.4 | 0 | 0 | 0 | 111.1 | I104 V137 A138 M139 I179 T187 | I104-L145 HydrophobicContact CB-CB 4.04Å; I104-L145 HydrophobicContact CG1-CB 4.31Å; I104-L145 HydrophobicContact CG2-CB 4.19Å; I104-L145 HydrophobicContact CG2-CD1 4.2Å; V137-L145 HydrophobicContact CG1-CD2 4.26Å; A138-L145 WeakPolarHBondContact O-CA 3.37Å; M139-L145 HydrophobicContact CB-CD2 4.1Å; M139-L145 HydrophobicContact CE-CD2 3.58Å; M139-L145 HydrophobicContact CE-CG 4.32Å; M139-L145 HydrophobicContact CG-CD2 4.41Å; L145-I179 HydrophobicContact CD1-CB 4.49Å; L145-I179 HydrophobicContact CD1-CG2 3.86Å; L145-I179 HydrophobicContact CD2-CG1 4.14Å; L145-T187 HydrophobicContact CB-CG2 4.22Å; L145-T187 HydrophobicContact CD1-CG2 3.88Å |
| 146 | Y | 98.9 | Very high | 98.5 | Very high | 69 Ų | 69 | 49.2 Ų | 49.2 | 27% | 0.271 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 161.7 | 176.7 | 69.9 | -81.7 | 0 | 0 | 0 | 110.2 | A138 E154 | A138-Y146 HydrophobicContact CB-CD1 4.16Å; A138-Y146 HydrophobicContact CB-CD2 4.26Å; A138-Y146 HydrophobicContact CB-CE1 3.7Å; A138-Y146 HydrophobicContact CB-CE2 3.81Å; A138-Y146 HydrophobicContact CB-CG 4.42Å; A138-Y146 PolarHBondContact N-O 2.84Å; A138-Y146 PolarHBondContact O-N 2.96Å; Y146-E154 WeakPolarHBondContact CE1-OE2 3.29Å; Y146-E154 PolarHBondContact OH-OE2 3.49Å |
| 147 | G | 98.8 | Very high | 98.5 | Very high | 10 Ų | 10 | 47.3 Ų | 47.3 | 10% | 0.103 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 122.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | G102 F135 F136 | G102-G147 WeakPolarHBondContact O-CA 3.37Å; G102-G147 PolarHBondContact O-N 3.22Å; F135-G147 VanDerWaalsContact CD1-C 3.46Å; F135-G147 WeakPolarHBondContact CD1-O 3.24Å; F136-G147 CarbonylContact O-C 3.51Å; F136-G147 VanDerWaalsContact O-CA 3.3Å; F136-G147 WeakPolarHBondContact O-CA 3.35Å |
| 148 | S | 98.4 | Very high | 98.4 | Very high | 9 Ų | 9 | 50.9 Ų | 50.9 | 6% | 0.063 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 127.4 | 174.1 | -175.1 | 0 | 0 | 0 | 0 | 110.8 | F135 F136 F150 | F135-S148 VanDerWaalsContact CD1-C 3.46Å; F136-S148 PolarHBondContact N-O 2.79Å; F136-S148 PolarHBondContact O-N 3.13Å; S148-F150 WeakPolarHBondContact CB-O 3.47Å; S148-F150 PolarHBondContact O-N 2.97Å; S148-F150 PolarHBondContact OG-N 2.98Å; S148-F150 PolarHBondContact OG-O 2.72Å |
| 149 | P | 97.3 | Very high | 98.4 | Very high | 75 Ų | 75 | 52.5 Ų | 52.5 | 49% | 0.487 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -73.9 | -17.2 | 176.4 | 28.9 | -30.3 | 0 | 0 | 0 | 111.7 | F135 | F135-P149 HydrophobicContact CD1-CB 4.19Å; F135-P149 HydrophobicContact CE1-CB 3.83Å; F135-P149 HydrophobicContact CE1-CG 4.13Å |
| 150 | F | 96.9 | Very high | 98.3 | Very high | 154 Ų | 154 | 55.4 Ų | 55.4 | 68% | 0.675 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -114.6 | 142.3 | 179.1 | -54.2 | -68.5 | 0 | 0 | 0 | 110.5 | S148 T152 | S148-F150 WeakPolarHBondContact CB-O 3.47Å; S148-F150 PolarHBondContact O-N 2.97Å; S148-F150 PolarHBondContact OG-N 2.98Å; S148-F150 PolarHBondContact OG-O 2.72Å; F150-T152 PolarHBondContact O-N 3.14Å |
| 151 | F | 98 | Very high | 98.2 | Very high | 94 Ų | 94 | 59.9 Ų | 59.9 | 41% | 0.412 | 30% | 0.297 | S | S | . | . | trans | -74.9 | 125.7 | 173.6 | -177.8 | -110.9 | 0 | 0 | 0 | 110.3 | V121 F136 C155 K156 | V121-F151 HydrophobicContact CG1-CZ 4.12Å; V121-F151 HydrophobicContact CG2-CE2 4.33Å; V121-F151 HydrophobicContact CG2-CZ 3.92Å; F136-F151 AromaticContact CD1-CD2 3.97Å; F136-F151 HydrophobicContact CD1-CD2 3.97Å; F136-F151 HydrophobicContact CD2-CB 4.25Å; F136-F151 HydrophobicContact CE1-CB 4.42Å; F136-F151 AromaticContact CE1-CD2 3.89Å; F136-F151 HydrophobicContact CE1-CD2 3.89Å; F136-F151 HydrophobicContact CE2-CB 3.86Å; F136-F151 HydrophobicContact CG-CD2 4.4Å; F136-F151 HydrophobicContact CZ-CB 3.95Å; F136-F151 HydrophobicContact CZ-CD2 4.27Å; F136-F151 HydrophobicContact CZ-CG 4.47Å; F151-C155 HydrophobicContact CD2-CB 3.69Å; F151-C155 HydrophobicContact CE2-CB 3.81Å; F151-K156 HydrophobicContact CE2-CG 4.24Å; F151-K156 HydrophobicContact CZ-CD 4.46Å; F151-K156 HydrophobicContact CZ-CG 3.84Å | ||
| 152 | T | 97.9 | Very high | 98.2 | Very high | 56 Ų | 56 | 57.3 Ų | 57.3 | 34% | 0.344 | 28% | 0.278 | S | S | . | . | trans | -139.6 | 173.9 | 178.9 | 68.8 | 0 | 0 | 0 | 0 | 109.9 | F150 E154 C155 | F150-T152 PolarHBondContact O-N 3.14Å; T152-E154 PolarHBondContact O-N 2.87Å; T152-E154 VanDerWaalsContact O-N 3.15Å; T152-E154 PolarHBondContact OG1-N 3.33Å; T152-C155 PolarHBondContact N-SG 3.06Å; T152-C155 VanDerWaalsContact O-CB 3.24Å; T152-C155 WeakPolarHBondContact O-CB 3.36Å; T152-C155 PolarHBondContact O-N 2.86Å | ||
| 153 | D | 98 | Very high | 98.1 | Very high | 82 Ų | 82 | 56.4 Ų | 56.4 | 44% | 0.439 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -61.9 | -20.5 | 174.8 | -70.2 | -35.9 | 0 | 0 | 0 | 113.7 | C155 K156 K173 | D153-C155 PolarHBondContact O-N 3.21Å; D153-K156 PolarHBondContact O-N 3.12Å; D153-K156 WeakPolarHBondContact OD1-CE 3.28Å; D153-K156 IonicContact OD1-NZ 2.79Å; D153-K156 PolarHBondContact OD1-NZ 3.5Å; D153-K173 HydrophobicContact CB-CB 4.43Å; D153-K173 HydrophobicContact CB-CD 4.17Å; D153-K173 HydrophobicContact CB-CG 4.49Å |
| 154 | E | 98.7 | Very high | 97.8 | Very high | 24 Ų | 24 | 59.7 Ų | 59.7 | 11% | 0.112 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -71.9 | -13.6 | 172.9 | -70.1 | -171.7 | -172.9 | 0 | 0 | 113.3 | A138 M139 Y146 T152 K173 Y174 | A138-E154 CarbonylContact C-O 3.47Å; A138-E154 VanDerWaalsContact CA-O 3.24Å; A138-E154 WeakPolarHBondContact CA-O 3.44Å; A138-E154 HydrophobicContact CB-CB 4.27Å; M139-E154 PolarHBondContact N-O 2.95Å; M139-E154 WeakPolarHBondContact O-CB 3.39Å; M139-E154 WeakPolarHBondContact O-CG 3.47Å; Y146-E154 WeakPolarHBondContact CE1-OE2 3.29Å; Y146-E154 PolarHBondContact OH-OE2 3.49Å; T152-E154 PolarHBondContact O-N 2.87Å; T152-E154 VanDerWaalsContact O-N 3.15Å; T152-E154 PolarHBondContact OG1-N 3.33Å; E154-K173 HydrophobicContact CG-CD 3.51Å; E154-K173 IonicContact OE1-NZ 2.92Å; E154-K173 PolarHBondContact OE1-NZ 3.4Å; E154-Y174 HydrophobicContact CG-CE2 3.96Å; E154-Y174 PolarHBondContact OE1-OH 3.43Å |
| 155 | C | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -91.3 | -2.2 | 178 | -53 | 0 | 0 | 0 | 0 | 113 | F136 V137 F151 T152 D153 | F136-C155 HydrophobicContact CB-CB 4.01Å; F136-C155 HydrophobicContact CG-CB 4.44Å; V137-C155 WeakPolarHBondContact O-CA 3.49Å; F151-C155 HydrophobicContact CD2-CB 3.69Å; F151-C155 HydrophobicContact CE2-CB 3.81Å; T152-C155 PolarHBondContact N-SG 3.06Å; T152-C155 VanDerWaalsContact O-CB 3.24Å; T152-C155 WeakPolarHBondContact O-CB 3.36Å; T152-C155 PolarHBondContact O-N 2.86Å; D153-C155 PolarHBondContact O-N 3.21Å |
| 156 | K | 98.7 | Very high | 97.6 | Very high | 26 Ų | 26 | 60.9 Ų | 60.9 | 11% | 0.113 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 130.4 | -178.8 | -65.3 | 179.7 | -176 | 175.3 | 0 | 110 | V121 E122 V125 F151 D153 Y172 | V121-K156 HydrophobicContact CG1-CD 4.17Å; V121-K156 HydrophobicContact CG1-CG 4.31Å; E122-K156 IonicContact OE1-NZ 3.74Å; V125-K156 HydrophobicContact CG1-CB 3.89Å; V125-K156 HydrophobicContact CG1-CG 4.47Å; F151-K156 HydrophobicContact CE2-CG 4.24Å; F151-K156 HydrophobicContact CZ-CD 4.46Å; F151-K156 HydrophobicContact CZ-CG 3.84Å; D153-K156 PolarHBondContact O-N 3.12Å; D153-K156 WeakPolarHBondContact OD1-CE 3.28Å; D153-K156 IonicContact OD1-NZ 2.79Å; D153-K156 PolarHBondContact OD1-NZ 3.5Å; K156-Y172 HydrophobicContact CB-CD1 4.18Å; K156-Y172 HydrophobicContact CB-CG 3.99Å; K156-Y172 HydrophobicContact CD-CD1 3.97Å; K156-Y172 HydrophobicContact CD-CE1 4.37Å; K156-Y172 HydrophobicContact CD-CG 4.46Å; K156-Y172 WeakPolarHBondContact O-CB 3.3Å; K156-Y172 PolarHBondContact O-N 3.49Å |
| 157 | F | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 134.4 | 177.4 | -58.9 | -86.2 | 0 | 0 | 0 | 111.5 | V125 V126 I128 V137 M139 E159 Y169 E170 I179 | V125-F157 CarbonylContact C-O 3.51Å; V125-F157 WeakPolarHBondContact CA-O 3.45Å; V126-F157 HydrophobicContact CG2-CB 4.49Å; V126-F157 PolarHBondContact N-O 3.26Å; V126-F157 PolarHBondContact O-N 2.76Å; I128-F157 HydrophobicContact CD1-CD2 4.11Å; I128-F157 HydrophobicContact CG1-CD2 4.41Å; V137-F157 HydrophobicContact CB-CE2 4.45Å; V137-F157 HydrophobicContact CG1-CE2 4.29Å; V137-F157 HydrophobicContact CG1-CZ 4.22Å; V137-F157 VanDerWaalsContact O-CE2 3.3Å; V137-F157 WeakPolarHBondContact O-CE2 3.37Å; M139-F157 HydrophobicContact CB-CE1 4Å; M139-F157 HydrophobicContact CB-CZ 4.23Å; M139-F157 HydrophobicContact CE-CE1 4.31Å; F157-E159 PolarHBondContact O-N 2.95Å; F157-Y169 HydrophobicContact CB-CD1 4.43Å; F157-E170 CarbonylContact C-O 3.51Å; F157-E170 WeakPolarHBondContact CA-O 3.43Å; F157-I179 HydrophobicContact CD1-CD1 3.83Å; F157-I179 HydrophobicContact CD1-CG1 3.88Å; F157-I179 HydrophobicContact CD2-CD1 4.29Å; F157-I179 HydrophobicContact CE1-CD1 3.79Å; F157-I179 HydrophobicContact CE1-CG1 3.73Å; F157-I179 HydrophobicContact CE2-CD1 4.25Å; F157-I179 HydrophobicContact CG-CD1 4.08Å; F157-I179 HydrophobicContact CZ-CD1 4.01Å; F157-I179 HydrophobicContact CZ-CG1 4.34Å |
| 158 | K | 98.4 | Very high | 97.6 | Very high | 74 Ų | 74 | 58 Ų | 58 | 32% | 0.322 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 119 | 168.5 | -61.9 | 174.9 | -178 | 174.7 | 0 | 108.4 | G124 V125 I160 Y169 E170 Y172 | G124-K158 CarbonylContact O-C 3.54Å; G124-K158 WeakPolarHBondContact O-CA 3.19Å; V125-K158 HydrophobicContact CG2-CG 4.17Å; K158-I160 HydrophobicContact CB-CG1 4.41Å; K158-Y169 WeakPolarHBondContact O-CA 3.33Å; K158-E170 HydrophobicContact CB-CB 4.28Å; K158-E170 PolarHBondContact N-O 2.86Å; K158-E170 PolarHBondContact O-N 3.44Å; K158-Y172 HydrophobicContact CG-CD2 4.22Å |
| 159 | E | 97.4 | Very high | 97.6 | Very high | 35 Ų | 35 | 57.6 Ų | 57.6 | 16% | 0.164 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 113 | 173.8 | 178.9 | 167.6 | -119.3 | 0 | 0 | 108.7 | R82 G124 V126 F157 N167 Y169 | R82-E159 IonicContact CZ-OE2 3.4Å; R82-E159 IonicContact NH1-OE1 3.93Å; R82-E159 IonicContact NH1-OE2 3.07Å; R82-E159 PolarHBondContact NH1-OE2 3.49Å; R82-E159 VanDerWaalsContact NH1-OE2 3.07Å; R82-E159 IonicContact NH2-OE1 3.72Å; R82-E159 IonicContact NH2-OE2 2.76Å; R82-E159 PolarHBondContact NH2-OE2 3.46Å; G124-E159 PolarHBondContact O-N 2.98Å; V126-E159 HydrophobicContact CG1-CB 4.28Å; V126-E159 HydrophobicContact CG2-CB 4.23Å; F157-E159 PolarHBondContact O-N 2.95Å; E159-N167 HydrophobicContact CG-CB 4.3Å; E159-N167 PolarHBondContact OE1-ND2 3.02Å; E159-Y169 HydrophobicContact CB-CD1 4.14Å; E159-Y169 HydrophobicContact CB-CE1 3.83Å; E159-Y169 HydrophobicContact CG-CD1 4.38Å; E159-Y169 HydrophobicContact CG-CE1 3.67Å; E159-Y169 VanDerWaalsContact OE1-CE1 3.32Å; E159-Y169 WeakPolarHBondContact OE1-CE1 3.25Å; E159-Y169 PolarHBondContact OE1-OH 2.76Å |
| 160 | I | 97.7 | Very high | 97.6 | Very high | 60 Ų | 60 | 55.4 Ų | 55.4 | 31% | 0.308 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 118.6 | -174.8 | -57.9 | 168.4 | 0 | 0 | 0 | 108.5 | K158 L162 N167 A168 E170 F178 | K158-I160 HydrophobicContact CB-CG1 4.41Å; I160-L162 HydrophobicContact CG2-CD2 4.38Å; I160-L162 PolarHBondContact O-N 2.99Å; I160-N167 CarbonylContact O-C 3.57Å; I160-N167 VanDerWaalsContact O-CA 3.25Å; I160-N167 WeakPolarHBondContact O-CA 3.27Å; I160-A168 PolarHBondContact N-O 2.89Å; I160-A168 PolarHBondContact O-N 3.01Å; I160-E170 HydrophobicContact CD1-CB 4.07Å; I160-F178 HydrophobicContact CD1-CE1 4.33Å |
| 161 | L | 97.3 | Very high | 97.7 | Very high | 120 Ų | 120 | 48.1 Ų | 48.1 | 63% | 0.628 | 25% | 0.25 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 125 | 170.8 | -177 | 64.4 | 0 | 0 | 0 | 109.6 | N167 | L161-N167 WeakPolarHBondContact CD1-OD1 3.45Å |
| 162 | L | 96.9 | Very high | 97.8 | Very high | 15 Ų | 15 | 47.8 Ų | 47.8 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | trans | -93.4 | 159.8 | 179.9 | -57.6 | 176.6 | 0 | 0 | 0 | 111.2 | I160 N164 N165 Y166 A168 P195 H201 | I160-L162 HydrophobicContact CG2-CD2 4.38Å; I160-L162 PolarHBondContact O-N 2.99Å; L162-N164 VanDerWaalsContact CB-OD1 3.29Å; L162-N164 WeakPolarHBondContact CB-OD1 3.3Å; L162-N164 PolarHBondContact O-N 2.78Å; L162-N165 PolarHBondContact O-N 3.42Å; L162-Y166 WeakPolarHBondContact CB-O 3.46Å; L162-Y166 WeakPolarHBondContact CG-O 3.24Å; L162-Y166 PolarHBondContact N-O 3.17Å; L162-A168 HydrophobicContact CD1-CB 4.04Å; L162-A168 HydrophobicContact CD2-CB 3.94Å; L162-A168 HydrophobicContact CG-CB 4.15Å; L162-P195 HydrophobicContact CD2-CB 4.07Å; L162-H201 HydrophobicContact CD1-CB 4.41Å; L162-H201 WeakPolarHBondContact CD1-CD2 3.42Å; L162-H201 WeakPolarHBondContact CD1-NE2 3.4Å | ||
| 163 | P | 96.4 | Very high | 97.8 | Very high | 137 Ų | 137 | 49.6 Ų | 49.6 | 89% | 0.89 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -17.5 | 179.9 | -26.5 | 35.4 | 0 | 0 | 0 | 115.5 | ||
| 164 | N | 93.4 | Very high | 97.8 | Very high | 69 Ų | 69 | 48 Ų | 48 | 37% | 0.369 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 14.2 | 178 | 67 | -13.6 | 0 | 0 | 0 | 113.4 | L162 Y166 H201 | L162-N164 VanDerWaalsContact CB-OD1 3.29Å; L162-N164 WeakPolarHBondContact CB-OD1 3.3Å; L162-N164 PolarHBondContact O-N 2.78Å; N164-Y166 WeakPolarHBondContact O-CD2 3.5Å; N164-Y166 PolarHBondContact O-N 2.92Å; N164-Y166 PolarHBondContact OD1-N 2.79Å; N164-H201 PolarHBondContact ND2-CE1 3.27Å; N164-H201 PolarHBondContact ND2-ND1 2.83Å |
| 165 | N | 94.5 | Very high | 97.8 | Very high | 123 Ų | 123 | 51.1 Ų | 51.1 | 66% | 0.658 | 26% | 0.261 | S | S | * | . | S | Bend | trans | 64.3 | 17.9 | -178.7 | -54.4 | -40.3 | 0 | 0 | 0 | 115.1 | L162 | L162-N165 PolarHBondContact O-N 3.42Š|
| 166 | Y | 98.2 | Very high | 97.8 | Very high | 47 Ų | 47 | 53.1 Ų | 53.1 | 18% | 0.184 | 28% | 0.281 | C | S | . | . | trans | -94.4 | 162.2 | 164 | -75.3 | -111.2 | 0 | 0 | 0 | 109.5 | N89 L162 N164 H201 L203 | N89-Y166 HydrophobicContact CB-CE1 4.2Å; L162-Y166 WeakPolarHBondContact CB-O 3.46Å; L162-Y166 WeakPolarHBondContact CG-O 3.24Å; L162-Y166 PolarHBondContact N-O 3.17Å; N164-Y166 WeakPolarHBondContact O-CD2 3.5Å; N164-Y166 PolarHBondContact O-N 2.92Å; N164-Y166 PolarHBondContact OD1-N 2.79Å; Y166-H201 HydrophobicContact CD1-CB 3.82Å; Y166-H201 HydrophobicContact CG-CB 3.95Å; Y166-L203 HydrophobicContact CD1-CB 3.87Å; Y166-L203 HydrophobicContact CE1-CB 3.69Å | ||
| 167 | N | 98.3 | Very high | 97.8 | Very high | 19 Ų | 19 | 53.3 Ų | 53.3 | 10% | 0.102 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 146.5 | 170.5 | -65.3 | -10.3 | 0 | 0 | 0 | 110.6 | E159 I160 L161 Y169 F202 | E159-N167 HydrophobicContact CG-CB 4.3Å; E159-N167 PolarHBondContact OE1-ND2 3.02Å; I160-N167 CarbonylContact O-C 3.57Å; I160-N167 VanDerWaalsContact O-CA 3.25Å; I160-N167 WeakPolarHBondContact O-CA 3.27Å; L161-N167 WeakPolarHBondContact CD1-OD1 3.45Å; N167-Y169 HydrophobicContact CB-CE2 4.12Å; N167-F202 PolarHBondContact N-O 3.25Å; N167-F202 PolarHBondContact O-N 2.87Å |
| 168 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 148.4 | 160 | 0 | 0 | 0 | 0 | 0 | 109.5 | I160 L162 F178 P195 | I160-A168 PolarHBondContact N-O 2.89Å; I160-A168 PolarHBondContact O-N 3.01Å; L162-A168 HydrophobicContact CD1-CB 4.04Å; L162-A168 HydrophobicContact CD2-CB 3.94Å; L162-A168 HydrophobicContact CG-CB 4.15Å; A168-F178 HydrophobicContact CB-CD1 4.16Å; A168-F178 HydrophobicContact CB-CE1 4.45Å; A168-P195 HydrophobicContact CB-CB 4.46Å |
| 169 | Y | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 103 | 178.5 | -63.6 | -79.8 | 0 | 0 | 0 | 109.2 | L86 L118 V126 I128 F157 K158 E159 N167 F178 I179 F202 | L86-Y169 HydrophobicContact CD1-CD2 4.4Å; L86-Y169 HydrophobicContact CD1-CE2 3.82Å; L86-Y169 HydrophobicContact CD2-CE2 3.97Å; L86-Y169 WeakPolarHBondContact CD2-OH 3.33Å; L86-Y169 HydrophobicContact CG-CE2 4.47Å; L118-Y169 HydrophobicContact CD2-CE1 4.41Å; V126-Y169 HydrophobicContact CG2-CD1 4.07Å; V126-Y169 HydrophobicContact CG2-CE1 3.99Å; I128-Y169 HydrophobicContact CD1-CD1 4.1Å; I128-Y169 HydrophobicContact CD1-CE1 4.42Å; I128-Y169 HydrophobicContact CD1-CG 4.29Å; F157-Y169 HydrophobicContact CB-CD1 4.43Å; K158-Y169 WeakPolarHBondContact O-CA 3.33Å; E159-Y169 HydrophobicContact CB-CD1 4.14Å; E159-Y169 HydrophobicContact CB-CE1 3.83Å; E159-Y169 HydrophobicContact CG-CD1 4.38Å; E159-Y169 HydrophobicContact CG-CE1 3.67Å; E159-Y169 VanDerWaalsContact OE1-CE1 3.32Å; E159-Y169 WeakPolarHBondContact OE1-CE1 3.25Å; E159-Y169 PolarHBondContact OE1-OH 2.76Å; N167-Y169 HydrophobicContact CB-CE2 4.12Å; Y169-F178 WeakPolarHBondContact O-CA 3.5Å; Y169-I179 HydrophobicContact CG-CD1 4.29Å; Y169-I179 PolarHBondContact O-N 3.13Å; Y169-F202 HydrophobicContact CD2-CB 4.33Å; Y169-F202 HydrophobicContact CD2-CD2 4.08Å; Y169-F202 HydrophobicContact CD2-CG 4.4Å; Y169-F202 HydrophobicContact CE2-CB 3.86Å; Y169-F202 HydrophobicContact CE2-CD2 4.45Å; Y169-F202 HydrophobicContact CE2-CG 4.36Å |
| 170 | E | 98.8 | Very high | 97.9 | Very high | 29 Ų | 29 | 48.7 Ų | 48.7 | 14% | 0.136 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 137.8 | 178 | -170.3 | -173.4 | -164 | 0 | 0 | 109.9 | F157 K158 I160 Y172 P175 G176 M177 F178 | F157-E170 CarbonylContact C-O 3.51Å; F157-E170 WeakPolarHBondContact CA-O 3.43Å; K158-E170 HydrophobicContact CB-CB 4.28Å; K158-E170 PolarHBondContact N-O 2.86Å; K158-E170 PolarHBondContact O-N 3.44Å; I160-E170 HydrophobicContact CD1-CB 4.07Å; E170-Y172 PolarHBondContact O-N 3.02Å; E170-P175 WeakPolarHBondContact OE1-CA 3.48Å; E170-G176 PolarHBondContact OE1-N 3.4Å; E170-M177 CarbonylContact C-O 3.5Å; E170-M177 WeakPolarHBondContact CA-O 3.29Å; E170-F178 HydrophobicContact CB-CD1 3.86Å; E170-F178 HydrophobicContact CB-CE1 3.55Å; E170-F178 HydrophobicContact CB-CZ 4.13Å; E170-F178 HydrophobicContact CG-CD1 4.28Å; E170-F178 HydrophobicContact CG-CE1 3.8Å; E170-F178 HydrophobicContact CG-CE2 4.39Å; E170-F178 HydrophobicContact CG-CZ 3.84Å |
| 171 | S | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 127.5 | 173 | 178.8 | 0 | 0 | 0 | 0 | 110.3 | Y174 M177 | S171-Y174 WeakPolarHBondContact CB-O 3.41Å; S171-Y174 CarbonylContact O-C 3.54Å; S171-Y174 PolarHBondContact OG-N 3.5Å; S171-Y174 VanDerWaalsContact OG-N 3.13Å; S171-M177 PolarHBondContact N-O 2.82Å |
| 172 | Y | 98.4 | Very high | 97.9 | Very high | 88 Ų | 88 | 41.2 Ų | 41.2 | 35% | 0.345 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -66.2 | -44.7 | 175.9 | -177.3 | -98.3 | 0 | 0 | 0 | 111.4 | V125 K156 K158 E170 | V125-Y172 HydrophobicContact CG1-CD2 4.06Å; V125-Y172 HydrophobicContact CG1-CG 4.4Å; V125-Y172 HydrophobicContact CG2-CD2 3.8Å; V125-Y172 HydrophobicContact CG2-CE2 4Å; K156-Y172 HydrophobicContact CB-CD1 4.18Å; K156-Y172 HydrophobicContact CB-CG 3.99Å; K156-Y172 HydrophobicContact CD-CD1 3.97Å; K156-Y172 HydrophobicContact CD-CE1 4.37Å; K156-Y172 HydrophobicContact CD-CG 4.46Å; K156-Y172 WeakPolarHBondContact O-CB 3.3Å; K156-Y172 PolarHBondContact O-N 3.49Å; K158-Y172 HydrophobicContact CG-CD2 4.22Å; E170-Y172 PolarHBondContact O-N 3.02Å |
| 173 | K | 98.4 | Very high | 98 | Very high | 94 Ų | 94 | 48.4 Ų | 48.4 | 41% | 0.409 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -72.9 | -31.7 | -179.7 | -169.4 | -178.8 | -178.9 | -171 | 0 | 113.3 | D153 E154 P175 | D153-K173 HydrophobicContact CB-CB 4.43Å; D153-K173 HydrophobicContact CB-CD 4.17Å; D153-K173 HydrophobicContact CB-CG 4.49Å; E154-K173 HydrophobicContact CG-CD 3.51Å; E154-K173 IonicContact OE1-NZ 2.92Å; E154-K173 PolarHBondContact OE1-NZ 3.4Å; K173-P175 WeakPolarHBondContact O-CD 3.42Å |
| 174 | Y | 98.7 | Very high | 98 | Very high | 49 Ų | 49 | 46.6 Ų | 46.6 | 19% | 0.192 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -124.6 | 77.7 | -177.9 | -54.2 | -62.3 | 0 | 0 | 0 | 111.3 | M139 S141 E154 S171 M177 | M139-Y174 WeakPolarHBondContact O-CE2 3.43Å; S141-Y174 VanDerWaalsContact CA-CZ 3.5Å; E154-Y174 HydrophobicContact CG-CE2 3.96Å; E154-Y174 PolarHBondContact OE1-OH 3.43Å; S171-Y174 WeakPolarHBondContact CB-O 3.41Å; S171-Y174 CarbonylContact O-C 3.54Å; S171-Y174 PolarHBondContact OG-N 3.5Å; S171-Y174 VanDerWaalsContact OG-N 3.13Å; Y174-M177 WeakPolarHBondContact O-CB 3.19Å; Y174-M177 PolarHBondContact O-N 2.97Å |
| 175 | P | 98.1 | Very high | 98.2 | Very high | 89 Ų | 89 | 43.5 Ų | 43.5 | 58% | 0.578 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 146.2 | 179.1 | -26.3 | 35.1 | 0 | 0 | 0 | 112.8 | E170 K173 M177 | E170-P175 WeakPolarHBondContact OE1-CA 3.48Å; K173-P175 WeakPolarHBondContact O-CD 3.42Å; P175-M177 VanDerWaalsContact C-N 3.28Å |
| 176 | G | 98.3 | Very high | 98.3 | Very high | 41 Ų | 41 | 44.4 Ų | 44.4 | 42% | 0.423 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | -3.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | E170 F178 | E170-G176 PolarHBondContact OE1-N 3.4Å; G176-F178 WeakPolarHBondContact O-CD2 3.37Å; G176-F178 WeakPolarHBondContact O-CE2 3.45Å |
| 177 | M | 98.8 | Very high | 98.4 | Very high | 30 Ų | 30 | 44.5 Ų | 44.5 | 15% | 0.148 | 23% | 0.226 | C | C | . | . | trans | -104.1 | 130.7 | 175.8 | -54.9 | -165.5 | -168 | 0 | 0 | 111.7 | M139 E170 S171 Y174 P175 G190 N191 | M139-M177 HydrophobicContact SD-CB 3.48Å; M139-M177 WeakPolarHBondContact SD-CB 3.45Å; M139-M177 HydrophobicContact SD-SD 4.37Å; E170-M177 CarbonylContact C-O 3.5Å; E170-M177 WeakPolarHBondContact CA-O 3.29Å; S171-M177 PolarHBondContact N-O 2.82Å; Y174-M177 WeakPolarHBondContact O-CB 3.19Å; Y174-M177 PolarHBondContact O-N 2.97Å; P175-M177 VanDerWaalsContact C-N 3.28Å; M177-G190 WeakPolarHBondContact CA-O 3.41Å; M177-N191 HydrophobicContact CE-CB 3.97Å; M177-N191 HydrophobicContact CG-CB 4.12Å; M177-N191 HydrophobicContact SD-CB 3.99Å | ||
| 178 | F | 98.9 | Very high | 98.4 | Very high | 13 Ų | 13 | 47 Ų | 47 | 6% | 0.057 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -121.1 | 145.4 | -173.2 | -61.5 | -95.1 | 0 | 0 | 0 | 113 | M139 I160 A168 Y169 E170 G176 A180 G190 V193 P195 T200 | M139-F178 WeakPolarHBondContact CE-O 3.3Å; I160-F178 HydrophobicContact CD1-CE1 4.33Å; A168-F178 HydrophobicContact CB-CD1 4.16Å; A168-F178 HydrophobicContact CB-CE1 4.45Å; Y169-F178 WeakPolarHBondContact O-CA 3.5Å; E170-F178 HydrophobicContact CB-CD1 3.86Å; E170-F178 HydrophobicContact CB-CE1 3.55Å; E170-F178 HydrophobicContact CB-CZ 4.13Å; E170-F178 HydrophobicContact CG-CD1 4.28Å; E170-F178 HydrophobicContact CG-CE1 3.8Å; E170-F178 HydrophobicContact CG-CE2 4.39Å; E170-F178 HydrophobicContact CG-CZ 3.84Å; G176-F178 WeakPolarHBondContact O-CD2 3.37Å; G176-F178 WeakPolarHBondContact O-CE2 3.45Å; F178-A180 PolarHBondContact O-N 2.81Å; F178-G190 PolarHBondContact N-O 3.42Å; F178-G190 VanDerWaalsContact O-CA 3.27Å; F178-G190 WeakPolarHBondContact O-CA 3.43Å; F178-V193 HydrophobicContact CB-CG2 3.99Å; F178-P195 HydrophobicContact CE1-CB 4.18Å; F178-P195 HydrophobicContact CE1-CG 4.25Å; F178-P195 HydrophobicContact CE2-CG 4.44Å; F178-P195 HydrophobicContact CZ-CB 4.37Å; F178-P195 HydrophobicContact CZ-CG 3.95Å; F178-T200 HydrophobicContact CB-CG2 3.71Å; F178-T200 HydrophobicContact CG-CG2 4.41Å |
| 179 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -58.4 | 134.2 | 165.4 | -58 | -171.2 | 0 | 0 | 0 | 107.7 | L96 I128 V137 M139 L145 F157 Y169 T200 F202 | L96-I179 HydrophobicContact CD1-CG2 4.25Å; L96-I179 HydrophobicContact CD2-CG2 4.22Å; I128-I179 HydrophobicContact CD1-CD1 3.75Å; V137-I179 HydrophobicContact CG1-CD1 4.24Å; M139-I179 HydrophobicContact CE-CG1 4.34Å; L145-I179 HydrophobicContact CD1-CB 4.49Å; L145-I179 HydrophobicContact CD1-CG2 3.86Å; L145-I179 HydrophobicContact CD2-CG1 4.14Å; F157-I179 HydrophobicContact CD1-CD1 3.83Å; F157-I179 HydrophobicContact CD1-CG1 3.88Å; F157-I179 HydrophobicContact CD2-CD1 4.29Å; F157-I179 HydrophobicContact CE1-CD1 3.79Å; F157-I179 HydrophobicContact CE1-CG1 3.73Å; F157-I179 HydrophobicContact CE2-CD1 4.25Å; F157-I179 HydrophobicContact CG-CD1 4.08Å; F157-I179 HydrophobicContact CZ-CD1 4.01Å; F157-I179 HydrophobicContact CZ-CG1 4.34Å; Y169-I179 HydrophobicContact CG-CD1 4.29Å; Y169-I179 PolarHBondContact O-N 3.13Å; I179-T200 WeakPolarHBondContact O-CA 3.42Å; I179-F202 HydrophobicContact CB-CE2 4.22Å; I179-F202 HydrophobicContact CG2-CE2 3.82Å; I179-F202 HydrophobicContact CG2-CZ 3.73Å; I179-F202 WeakPolarHBondContact O-CE2 3.25Å | ||
| 180 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -153.2 | 141.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F178 T187 K188 V193 V199 T200 | F178-A180 PolarHBondContact O-N 2.81Å; A180-T187 WeakPolarHBondContact O-CA 3.45Å; A180-K188 HydrophobicContact CB-CB 3.95Å; A180-K188 PolarHBondContact O-N 2.8Å; A180-V193 HydrophobicContact CB-CB 4.27Å; A180-V193 HydrophobicContact CB-CG1 3.88Å; A180-V193 HydrophobicContact CB-CG2 3.92Å; A180-V199 CarbonylContact C-O 3.4Å; A180-V199 WeakPolarHBondContact CA-O 3.15Å; A180-V199 HydrophobicContact CB-CB 4.49Å; A180-V199 HydrophobicContact CB-CG2 4.31Å; A180-V199 WeakPolarHBondContact CB-O 3.16Å; A180-T200 HydrophobicContact CB-CG2 4.02Å | ||
| 181 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -112.3 | 135.9 | 170 | -64.5 | -179.7 | 0 | 0 | 0 | 109.9 | C88 F94 L96 T187 V199 F202 | C88-L181 HydrophobicContact CB-CB 4.34Å; C88-L181 HydrophobicContact CB-CD1 4.12Å; F94-L181 HydrophobicContact CB-CD1 3.91Å; L96-L181 HydrophobicContact CD1-CD1 4.41Å; L96-L181 HydrophobicContact CD1-CD2 4.04Å; L96-L181 HydrophobicContact CD1-CG 4.35Å; L181-T187 HydrophobicContact CD2-CG2 4.15Å; L181-V199 PolarHBondContact N-O 3.49Å; L181-V199 WeakPolarHBondContact O-CB 3.35Å; L181-V199 WeakPolarHBondContact O-CG1 3.28Å; L181-F202 HydrophobicContact CD1-CE1 3.93Å; L181-F202 HydrophobicContact CD1-CZ 4.45Å; L181-F202 HydrophobicContact CG-CE1 4.05Å; L181-F202 HydrophobicContact CG-CZ 4.06Å |
| 182 | S | 98.2 | Very high | 98.3 | Very high | 22 Ų | 22 | 62.9 Ų | 62.9 | 15% | 0.154 | 30% | 0.304 | C | S | . | . | trans | -80.8 | 170.3 | 173.6 | 60.4 | 0 | 0 | 0 | 0 | 111.4 | N184 G185 K186 | S182-N184 PolarHBondContact O-N 2.96Å; S182-N184 PolarHBondContact OG-OD1 2.77Å; S182-G185 PolarHBondContact O-N 2.73Å; S182-K186 WeakPolarHBondContact CB-O 3.31Å; S182-K186 PolarHBondContact N-O 3.03Å; S182-K186 PolarHBondContact OG-N 2.7Å; S182-K186 PolarHBondContact OG-O 2.87Å | ||
| 183 | K | 97.7 | Very high | 98.3 | Very high | 166 Ų | 166 | 59.2 Ų | 59.2 | 72% | 0.722 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -12.3 | -178.8 | -61.5 | -176.9 | -179.3 | -177.6 | 0 | 114.6 | F94 | F94-K183 VanDerWaalsContact CE2-O 3.29Å; F94-K183 WeakPolarHBondContact CE2-O 3.18Å |
| 184 | N | 97.3 | Very high | 98.3 | Very high | 99 Ų | 99 | 56.5 Ų | 56.5 | 53% | 0.529 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 14.9 | 176.3 | 66.7 | 10 | 0 | 0 | 0 | 112.9 | S182 K186 | S182-N184 PolarHBondContact O-N 2.96Å; S182-N184 PolarHBondContact OG-OD1 2.77Å; N184-K186 VanDerWaalsContact C-N 3.28Å; N184-K186 PolarHBondContact O-N 3.38Å; N184-K186 WeakPolarHBondContact OD1-CB 3.36Å; N184-K186 WeakPolarHBondContact OD1-CG 3.38Å; N184-K186 PolarHBondContact OD1-N 2.98Å; N184-K186 VanDerWaalsContact OD1-N 3.15Å |
| 185 | G | 96.4 | Very high | 98.2 | Very high | 4 Ų | 4 | 56.5 Ų | 56.5 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | S | Bend | trans | 79.2 | -0.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | F94 G106 S182 | F94-G185 VanDerWaalsContact CZ-N 3.33Å; G106-G185 VanDerWaalsContact CA-O 3.28Å; G106-G185 WeakPolarHBondContact CA-O 3.32Å; G106-G185 PolarHBondContact N-O 2.87Å; S182-G185 PolarHBondContact O-N 2.73Å |
| 186 | K | 98.2 | Very high | 98.2 | Very high | 143 Ų | 143 | 58 Ų | 58 | 62% | 0.622 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -80.6 | 145.8 | 176.1 | -62.6 | -178.1 | -178.8 | -179.1 | 0 | 111.5 | S182 N184 | S182-K186 WeakPolarHBondContact CB-O 3.31Å; S182-K186 PolarHBondContact N-O 3.03Å; S182-K186 PolarHBondContact OG-N 2.7Å; S182-K186 PolarHBondContact OG-O 2.87Å; N184-K186 VanDerWaalsContact C-N 3.28Å; N184-K186 PolarHBondContact O-N 3.38Å; N184-K186 WeakPolarHBondContact OD1-CB 3.36Å; N184-K186 WeakPolarHBondContact OD1-CG 3.38Å; N184-K186 PolarHBondContact OD1-N 2.98Å; N184-K186 VanDerWaalsContact OD1-N 3.15Å |
| 187 | T | 98.4 | Very high | 98.2 | Very high | 48 Ų | 48 | 59.3 Ų | 59.3 | 29% | 0.294 | 29% | 0.294 | S | S | . | . | B | Isolated β-bridge | trans | -63.3 | 141.3 | 173.9 | 57.5 | 0 | 0 | 0 | 0 | 111.7 | I104 L145 A180 L181 | I104-T187 HydrophobicContact CB-CG2 4.18Å; I104-T187 HydrophobicContact CG2-CG2 3.98Å; I104-T187 WeakPolarHBondContact O-CG2 3.46Å; L145-T187 HydrophobicContact CB-CG2 4.22Å; L145-T187 HydrophobicContact CD1-CG2 3.88Å; A180-T187 WeakPolarHBondContact O-CA 3.45Å; L181-T187 HydrophobicContact CD2-CG2 4.15Å |
| 188 | K | 98.5 | Very high | 98.1 | Very high | 71 Ų | 71 | 65.1 Ų | 65.1 | 31% | 0.309 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -98.6 | 157.8 | 169.5 | -62.9 | -172 | 63.7 | 142.1 | 0 | 110.7 | A180 G190 V193 V199 | A180-K188 HydrophobicContact CB-CB 3.95Å; A180-K188 PolarHBondContact O-N 2.8Å; K188-G190 PolarHBondContact O-N 2.99Å; K188-V193 HydrophobicContact CB-CG1 4.04Å; K188-V193 HydrophobicContact CD-CG1 4.08Å; K188-V199 HydrophobicContact CD-CB 4.31Å; K188-V199 HydrophobicContact CD-CG1 4.39Å; K188-V199 HydrophobicContact CD-CG2 4.17Å |
| 189 | K | 98.6 | Very high | 98.1 | Very high | 100 Ų | 100 | 65.3 Ų | 65.3 | 44% | 0.435 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 128 | 171.3 | -64.6 | -172.6 | 178.3 | -177.2 | 0 | 109.5 | G143 N191 R192 | G143-K189 CarbonylContact O-C 3.57Å; G143-K189 VanDerWaalsContact O-CA 3.29Å; G143-K189 WeakPolarHBondContact O-CA 3.41Å; K189-N191 WeakPolarHBondContact CB-OD1 3.39Å; K189-N191 PolarHBondContact O-N 2.98Å; K189-R192 HydrophobicContact CB-CG 4.23Å; K189-R192 PolarHBondContact O-N 2.76Å |
| 190 | G | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -59.4 | -32.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | G143 M177 F178 K188 R192 V193 | G143-G190 PolarHBondContact O-N 3.02Å; M177-G190 WeakPolarHBondContact CA-O 3.41Å; F178-G190 PolarHBondContact N-O 3.42Å; F178-G190 VanDerWaalsContact O-CA 3.27Å; F178-G190 WeakPolarHBondContact O-CA 3.43Å; K188-G190 PolarHBondContact O-N 2.99Å; G190-R192 PolarHBondContact O-N 2.79Å; G190-V193 WeakPolarHBondContact O-CG2 3.45Å; G190-V193 PolarHBondContact O-N 3.02Å |
| 191 | N | 98.3 | Very high | 98.1 | Very high | 87 Ų | 87 | 66.2 Ų | 66.2 | 47% | 0.465 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -76.4 | 4.9 | 176.1 | 70.5 | -21 | 0 | 0 | 0 | 114.8 | M177 K189 | M177-N191 HydrophobicContact CE-CB 3.97Å; M177-N191 HydrophobicContact CG-CB 4.12Å; M177-N191 HydrophobicContact SD-CB 3.99Å; K189-N191 WeakPolarHBondContact CB-OD1 3.39Å; K189-N191 PolarHBondContact O-N 2.98Å |
| 192 | R | 98.3 | Very high | 98.1 | Very high | 176 Ų | 176 | 66.2 Ų | 66.2 | 66% | 0.664 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -120.5 | 15.3 | 178.5 | -62.3 | -174.6 | 176.4 | -172.2 | -5 | 112.5 | K189 G190 | K189-R192 HydrophobicContact CB-CG 4.23Å; K189-R192 PolarHBondContact O-N 2.76Å; G190-R192 PolarHBondContact O-N 2.79Å |
| 193 | V | 98.5 | Very high | 98.1 | Very high | 11 Ų | 11 | 68.1 Ų | 68.1 | 7% | 0.067 | 33% | 0.333 | C | S | . | . | trans | -137.9 | 158 | -177.1 | -66.4 | 0 | 0 | 0 | 0 | 110 | F178 A180 K188 G190 M197 V199 T200 | F178-V193 HydrophobicContact CB-CG2 3.99Å; A180-V193 HydrophobicContact CB-CB 4.27Å; A180-V193 HydrophobicContact CB-CG1 3.88Å; A180-V193 HydrophobicContact CB-CG2 3.92Å; K188-V193 HydrophobicContact CB-CG1 4.04Å; K188-V193 HydrophobicContact CD-CG1 4.08Å; G190-V193 WeakPolarHBondContact O-CG2 3.45Å; G190-V193 PolarHBondContact O-N 3.02Å; V193-M197 HydrophobicContact CB-SD 4.21Å; V193-M197 HydrophobicContact CG1-CE 4.35Å; V193-M197 HydrophobicContact CG1-SD 4.4Å; V193-V199 HydrophobicContact CB-CG2 4.49Å; V193-V199 HydrophobicContact CG1-CG2 3.91Å; V193-T200 HydrophobicContact CB-CG2 3.7Å; V193-T200 HydrophobicContact CG2-CG2 3.77Å | ||
| 194 | S | 98 | Very high | 98 | Very high | 38 Ų | 38 | 62.2 Ų | 62.2 | 27% | 0.266 | 31% | 0.311 | S | S | . | . | trans | -136.1 | 162.8 | 179.4 | 66.7 | 0 | 0 | 0 | 0 | 110.1 | T196 M197 T200 | S194-T196 PolarHBondContact O-N 2.94Å; S194-T196 PolarHBondContact OG-OG1 3.46Å; S194-M197 PolarHBondContact O-N 3.23Å; S194-M197 VanDerWaalsContact O-N 3.08Å; S194-M197 WeakPolarHBondContact OG-CG 3.44Å; S194-T200 VanDerWaalsContact O-CG2 3.3Å; S194-T200 WeakPolarHBondContact O-CG2 3.38Å; S194-T200 PolarHBondContact O-OG1 3Å | ||
| 195 | P | 97.1 | Very high | 97.9 | Very high | 49 Ų | 49 | 62.4 Ų | 62.4 | 32% | 0.318 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -12.6 | 179 | 27 | -34 | 0 | 0 | 0 | 113.1 | L162 A168 F178 M197 H201 | L162-P195 HydrophobicContact CD2-CB 4.07Å; A168-P195 HydrophobicContact CB-CB 4.46Å; F178-P195 HydrophobicContact CE1-CB 4.18Å; F178-P195 HydrophobicContact CE1-CG 4.25Å; F178-P195 HydrophobicContact CE2-CG 4.44Å; F178-P195 HydrophobicContact CZ-CB 4.37Å; F178-P195 HydrophobicContact CZ-CG 3.95Å; P195-M197 VanDerWaalsContact C-N 3.31Å; P195-H201 PolarHBondContact O-NE2 3.33Å |
| 196 | T | 97.3 | Very high | 97.4 | Very high | 121 Ų | 121 | 69.8 Ų | 69.8 | 74% | 0.742 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -18.7 | 172.3 | 55.1 | 0 | 0 | 0 | 0 | 113 | S194 | S194-T196 PolarHBondContact O-N 2.94Å; S194-T196 PolarHBondContact OG-OG1 3.46Å |
| 197 | M | 98.3 | Very high | 97.3 | Very high | 68 Ų | 68 | 66.2 Ų | 66.2 | 34% | 0.335 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -89.6 | 127.2 | -178.2 | -58.7 | 169.8 | 69.3 | 0 | 0 | 111.3 | V193 S194 P195 V199 T200 H201 | V193-M197 HydrophobicContact CB-SD 4.21Å; V193-M197 HydrophobicContact CG1-CE 4.35Å; V193-M197 HydrophobicContact CG1-SD 4.4Å; S194-M197 PolarHBondContact O-N 3.23Å; S194-M197 VanDerWaalsContact O-N 3.08Å; S194-M197 WeakPolarHBondContact OG-CG 3.44Å; P195-M197 VanDerWaalsContact C-N 3.31Å; M197-V199 HydrophobicContact CB-CG2 3.81Å; M197-V199 HydrophobicContact CE-CG2 3.96Å; M197-V199 PolarHBondContact O-N 2.89Å; M197-T200 PolarHBondContact O-N 3.2Å; M197-T200 PolarHBondContact O-OG1 3.27Å; M197-H201 PolarHBondContact O-CD2 3.19Å |
| 198 | K | 98.1 | Very high | 97.3 | Very high | 151 Ų | 151 | 67.1 Ų | 67.1 | 66% | 0.657 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -53.4 | -22.8 | 179.3 | -65.1 | -173.1 | 178.1 | -176.2 | 0 | 115.5 | V90 T200 H201 | V90-K198 HydrophobicContact CG1-CB 4.25Å; K198-T200 PolarHBondContact O-N 2.97Å; K198-H201 WeakPolarHBondContact O-CB 3.36Å; K198-H201 PolarHBondContact O-N 3.08Å; K198-H201 VanDerWaalsContact O-N 3.13Å |
| 199 | V | 98.6 | Very high | 97.2 | Very high | 18 Ų | 18 | 66.9 Ų | 66.9 | 11% | 0.109 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -64.7 | -15.7 | 176.3 | -62.3 | 0 | 0 | 0 | 0 | 114.2 | V90 A180 L181 K188 V193 M197 | V90-V199 HydrophobicContact CG1-CG1 4.09Å; A180-V199 CarbonylContact C-O 3.4Å; A180-V199 WeakPolarHBondContact CA-O 3.15Å; A180-V199 HydrophobicContact CB-CB 4.49Å; A180-V199 HydrophobicContact CB-CG2 4.31Å; A180-V199 WeakPolarHBondContact CB-O 3.16Å; L181-V199 PolarHBondContact N-O 3.49Å; L181-V199 WeakPolarHBondContact O-CB 3.35Å; L181-V199 WeakPolarHBondContact O-CG1 3.28Å; K188-V199 HydrophobicContact CD-CB 4.31Å; K188-V199 HydrophobicContact CD-CG1 4.39Å; K188-V199 HydrophobicContact CD-CG2 4.17Å; V193-V199 HydrophobicContact CB-CG2 4.49Å; V193-V199 HydrophobicContact CG1-CG2 3.91Å; M197-V199 HydrophobicContact CB-CG2 3.81Å; M197-V199 HydrophobicContact CE-CG2 3.96Å; M197-V199 PolarHBondContact O-N 2.89Å |
| 200 | T | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -99.9 | -1.4 | 175.8 | 58.3 | 0 | 0 | 0 | 0 | 112.8 | F178 I179 A180 V193 S194 M197 K198 F202 | F178-T200 HydrophobicContact CB-CG2 3.71Å; F178-T200 HydrophobicContact CG-CG2 4.41Å; I179-T200 WeakPolarHBondContact O-CA 3.42Å; A180-T200 HydrophobicContact CB-CG2 4.02Å; V193-T200 HydrophobicContact CB-CG2 3.7Å; V193-T200 HydrophobicContact CG2-CG2 3.77Å; S194-T200 VanDerWaalsContact O-CG2 3.3Å; S194-T200 WeakPolarHBondContact O-CG2 3.38Å; S194-T200 PolarHBondContact O-OG1 3Å; M197-T200 PolarHBondContact O-N 3.2Å; M197-T200 PolarHBondContact O-OG1 3.27Å; K198-T200 PolarHBondContact O-N 2.97Å; T200-F202 VanDerWaalsContact O-CD2 3.24Å; T200-F202 WeakPolarHBondContact O-CD2 3.29Å |
| 201 | H | 98.7 | Very high | 97 | Very high | 19 Ų | 19 | 69 Ų | 69 | 9% | 0.088 | 35% | 0.345 | C | S | . | . | trans | -91.5 | 121.8 | -173.7 | -61.2 | -175.2 | 0 | 0 | 0 | 109.5 | C88 L162 N164 Y166 P195 M197 K198 | C88-H201 WeakPolarHBondContact CA-O 3.21Å; C88-H201 PolarHBondContact SG-O 2.83Å; L162-H201 HydrophobicContact CD1-CB 4.41Å; L162-H201 WeakPolarHBondContact CD1-CD2 3.42Å; L162-H201 WeakPolarHBondContact CD1-NE2 3.4Å; N164-H201 PolarHBondContact ND2-CE1 3.27Å; N164-H201 PolarHBondContact ND2-ND1 2.83Å; Y166-H201 HydrophobicContact CD1-CB 3.82Å; Y166-H201 HydrophobicContact CG-CB 3.95Å; P195-H201 PolarHBondContact O-NE2 3.33Å; M197-H201 PolarHBondContact O-CD2 3.19Å; K198-H201 WeakPolarHBondContact O-CB 3.36Å; K198-H201 PolarHBondContact O-N 3.08Å; K198-H201 VanDerWaalsContact O-N 3.13Å | ||
| 202 | F | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -125.1 | 132.4 | 179.3 | -66.6 | -90.8 | 0 | 0 | 0 | 110.7 | L86 Y87 C88 L96 N167 Y169 I179 L181 T200 | L86-F202 HydrophobicContact CB-CB 4.29Å; L86-F202 HydrophobicContact CB-CD1 3.91Å; L86-F202 HydrophobicContact CB-CG 4.4Å; Y87-F202 CarbonylContact O-C 3.58Å; Y87-F202 VanDerWaalsContact O-CA 3.3Å; Y87-F202 WeakPolarHBondContact O-CA 3.36Å; C88-F202 HydrophobicContact CB-CD1 3.81Å; C88-F202 HydrophobicContact CB-CE1 3.62Å; C88-F202 HydrophobicContact CB-CZ 4.22Å; L96-F202 HydrophobicContact CB-CE1 4.28Å; N167-F202 PolarHBondContact N-O 3.25Å; N167-F202 PolarHBondContact O-N 2.87Å; Y169-F202 HydrophobicContact CD2-CB 4.33Å; Y169-F202 HydrophobicContact CD2-CD2 4.08Å; Y169-F202 HydrophobicContact CD2-CG 4.4Å; Y169-F202 HydrophobicContact CE2-CB 3.86Å; Y169-F202 HydrophobicContact CE2-CD2 4.45Å; Y169-F202 HydrophobicContact CE2-CG 4.36Å; I179-F202 HydrophobicContact CB-CE2 4.22Å; I179-F202 HydrophobicContact CG2-CE2 3.82Å; I179-F202 HydrophobicContact CG2-CZ 3.73Å; I179-F202 WeakPolarHBondContact O-CE2 3.25Å; L181-F202 HydrophobicContact CD1-CE1 3.93Å; L181-F202 HydrophobicContact CD1-CZ 4.45Å; L181-F202 HydrophobicContact CG-CE1 4.05Å; L181-F202 HydrophobicContact CG-CZ 4.06Å; T200-F202 VanDerWaalsContact O-CD2 3.24Å; T200-F202 WeakPolarHBondContact O-CD2 3.29Å |
| 203 | L | 98 | Very high | 96.9 | Very high | 62 Ų | 62 | 60.1 Ų | 60.1 | 33% | 0.325 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 116.1 | 172.6 | -179.9 | 65.1 | 0 | 0 | 0 | 108.5 | Y87 Y166 R205 | Y87-L203 PolarHBondContact N-O 3.38Å; Y87-L203 PolarHBondContact O-N 3.15Å; Y166-L203 HydrophobicContact CD1-CB 3.87Å; Y166-L203 HydrophobicContact CE1-CB 3.69Å; L203-R205 HydrophobicContact CD2-CG 4.34Å; L203-R205 HydrophobicContact CG-CG 4.25Å; L203-R205 PolarHBondContact O-N 2.71Å |
| 204 | P | 96.4 | Very high | 96.7 | Very high | 41 Ų | 41 | 63.8 Ų | 63.8 | 27% | 0.266 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 121.2 | 170.8 | -20.1 | 33.2 | 0 | 0 | 0 | 110.9 | R84 R85 L86 | R84-P204 HydrophobicContact CB-CB 4.36Å; R84-P204 HydrophobicContact CG-CB 4.25Å; R85-P204 CarbonylContact O-C 3.52Å; R85-P204 WeakPolarHBondContact O-CA 3.34Å; L86-P204 HydrophobicContact CD2-CB 4.19Å; L86-P204 HydrophobicContact CD2-CG 4.05Å |
| 205 | R | 94.4 | Very high | 96.6 | Very high | 104 Ų | 104 | 66 Ų | 66 | 39% | 0.392 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 152 | 178.5 | -62.2 | 179.5 | 68.4 | -161.5 | 0.4 | 110.7 | R84 R85 H95 L203 | R84-R205 CarbonylContact C-O 3.58Å; R84-R205 WeakPolarHBondContact CA-O 3.42Å; R84-R205 WeakPolarHBondContact CB-O 3.39Å; R84-R205 WeakPolarHBondContact CD-O 3.4Å; R85-R205 PolarHBondContact N-O 2.86Å; R85-R205 PolarHBondContact O-N 2.94Å; H95-R205 PolarHBondContact CE1-NH1 3.35Å; H95-R205 PolarHBondContact NE2-NH1 3.38Å; H95-R205 VanDerWaalsContact NE2-NH1 3.12Å; L203-R205 HydrophobicContact CD2-CG 4.34Å; L203-R205 HydrophobicContact CG-CG 4.25Å; L203-R205 PolarHBondContact O-N 2.71Å |
| 206 | L | 85.3 | Confident | 96.6 | Very high | 159 Ų | 159 | 67.5 Ų | 67.5 | 83% | 0.832 | 34% | 0.341 | S | S | * | . | trans | -74.5 | 0 | 170.7 | -73.4 | 168.3 | 0 | 0 | 0 | 111 | R84 R85 | R84-L206 VanDerWaalsContact CZ-CD2 3.41Å; R85-L206 PolarHBondContact NH1-OXT 2.98Å |
Retrieved 206 of 206 residues in 40.4 ms
(Link to these results)