| 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 | 43.9 | Very low | 42.6 | Very low | 233 Ų | 233 | 142.7 Ų | 142.7 | 100% | 1.148 | 82% | 0.815 | S | S | * | * | 0 | 98.7 | 0 | -62.7 | 164.7 | -175.5 | 0 | 0 | 105.4 | |||||
| 2 | L | 39.3 | Very low | 42.1 | Very low | 154 Ų | 154 | 143 Ų | 143 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | 74.7 | 99.7 | 78 | -72.4 | 177 | 0 | 0 | 0 | 113.5 | |||||
| 3 | L | 39.7 | Very low | 42.6 | Very low | 160 Ų | 160 | 140.2 Ų | 140.2 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | 68.1 | 158.9 | 138.3 | -55.1 | 171 | 0 | 0 | 0 | 120.9 | ||||
| 4 | S | 35.6 | Very low | 42 | Very low | 91 Ų | 91 | 145.1 Ų | 145.1 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | cis | 177.6 | 90.5 | -42.5 | 169 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 5 | V | 40.5 | Very low | 41.2 | Very low | 135 Ų | 135 | 144.6 Ų | 144.6 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | 59.3 | -169.6 | 147.1 | -131.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 6 | P | 59.7 | Low | 40.5 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | -129.2 | -134.3 | -124.7 | 48.2 | -27.5 | 0 | 0 | 0 | 113.3 | |||||
| 7 | P | 60.9 | Low | 40.1 | Very low | 108 Ų | 108 | 143.1 Ų | 143.1 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | cis | -135.9 | 179.4 | -33.9 | 41.4 | -25.1 | 0 | 0 | 0 | 116.2 | ||||
| 8 | R | 40.9 | Very low | 39.7 | Very low | 237 Ų | 237 | 143 Ų | 143 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | trans | 79.4 | 137.8 | 138.5 | -149.6 | -179.5 | -168 | -175.2 | 3.7 | 122.6 | ||||
| 9 | A | 36.8 | Very low | 39.3 | Very low | 101 Ų | 101 | 138.9 Ų | 138.9 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | trans | 64.7 | 157.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 10 | G | 32.3 | Very low | 39 | Very low | 65 Ų | 65 | 143.1 Ų | 143.1 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | cis | 159.6 | 165.8 | -10.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 11 | I | 39 | Very low | 38.7 | Very low | 177 Ų | 177 | 143 Ų | 143 | 91% | 0.908 | 77% | 0.774 | S | S | * | * | trans | 75.1 | 127.6 | 166 | -56.8 | 170.8 | 0 | 0 | 0 | 117.3 | ||||
| 12 | N | 37.1 | Very low | 38.2 | Very low | 146 Ų | 146 | 136.1 Ų | 136.1 | 78% | 0.781 | 75% | 0.749 | S | S | * | * | trans | -88.5 | 151.9 | 167.1 | -145.1 | 31.7 | 0 | 0 | 0 | 108.2 | ||||
| 13 | P | 48.8 | Very low | 38.1 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 69% | 0.688 | 75% | 0.752 | S | S | * | * | -163.7 | 171.3 | 72.9 | 44.3 | -23 | 0 | 0 | 0 | 119.9 | |||||
| 14 | Y | 33 | Very low | 37.8 | Very low | 209 Ų | 209 | 139.4 Ų | 139.4 | 82% | 0.82 | 75% | 0.75 | S | S | * | * | trans | 58.7 | 131.9 | 141.2 | -98.6 | -89 | 0 | 0 | 0 | 125.8 | ||||
| 15 | N | 31.3 | Very low | 37.7 | Very low | 138 Ų | 138 | 143.2 Ų | 143.2 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | 80.9 | 144.6 | 140.6 | -130.3 | 6.9 | 0 | 0 | 0 | 121.2 | ||||
| 16 | G | 29.1 | Very low | 37.3 | Very low | 66 Ų | 66 | 142.2 Ų | 142.2 | 68% | 0.68 | 76% | 0.757 | S | S | * | * | trans | 153.8 | 46.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 17 | Y | 34.5 | Very low | 35.9 | Very low | 197 Ų | 197 | 147.2 Ų | 147.2 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | 33.7 | 113.9 | 151.5 | -68.4 | -79.8 | 0 | 0 | 0 | 123.9 | ||||
| 18 | N | 31.9 | Very low | 34.7 | Very low | 142 Ų | 142 | 149.2 Ų | 149.2 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | 75.2 | 125.7 | 111.1 | -162.7 | 10.3 | 0 | 0 | 0 | 122.7 | |||||
| 19 | S | 32.7 | Very low | 34.2 | Very low | 66 Ų | 66 | 142.1 Ų | 142.1 | 46% | 0.462 | 76% | 0.76 | S | S | . | * | 130.3 | 131.5 | 118.9 | -151.1 | 0 | 0 | 0 | 0 | 118 | |||||
| 20 | R | 33.9 | Very low | 34 | Very low | 221 Ų | 221 | 143.6 Ų | 143.6 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | trans | 64.6 | 148.5 | 157.2 | -81.6 | 167.6 | -82.4 | -173.5 | -5.3 | 117 | ||||
| 21 | N | 32.6 | Very low | 34 | Very low | 142 Ų | 142 | 143.9 Ų | 143.9 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | cis | -153.4 | 160.3 | -11.4 | -141.4 | 14.1 | 0 | 0 | 0 | 106.7 | ||||
| 22 | S | 33.9 | Very low | 34.1 | Very low | 88 Ų | 88 | 145 Ų | 145 | 62% | 0.615 | 77% | 0.768 | S | S | * | * | cis | -143.6 | -145.6 | 21.7 | -43.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 23 | K | 35.2 | Very low | 34.1 | Very low | 201 Ų | 201 | 147.1 Ų | 147.1 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | cis | -153.2 | -144.7 | 12.3 | -144 | 162.4 | -168.9 | 176.3 | 0 | 112 | ||||
| 24 | K | 34.1 | Very low | 33.7 | Very low | 182 Ų | 182 | 151.1 Ų | 151.1 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -91.6 | 158.9 | -178.8 | -60.2 | -178.7 | 176.6 | -177.5 | 0 | 110.2 | ||||
| 25 | Q | 33 | Very low | 34.5 | Very low | 171 Ų | 171 | 145.5 Ų | 145.5 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | cis | -167.1 | 141.9 | 42.8 | -161 | 154.8 | -45.7 | 0 | 0 | 114.4 | ||||
| 26 | S | 32.2 | Very low | 35.4 | Very low | 115 Ų | 115 | 144.6 Ų | 144.6 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | 46.6 | 143.3 | 152.6 | -56 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 27 | Y | 30.8 | Very low | 36.3 | Very low | 213 Ų | 213 | 147.5 Ų | 147.5 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | -81 | 151.7 | 178.5 | -85.3 | -113.5 | 0 | 0 | 0 | 115.3 | ||||
| 28 | V | 35.8 | Very low | 36.6 | Very low | 150 Ų | 150 | 143.3 Ų | 143.3 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | trans | -142.9 | 145.8 | 130.4 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 29 | S | 30 | Very low | 37.4 | Very low | 89 Ų | 89 | 142.6 Ų | 142.6 | 62% | 0.622 | 79% | 0.792 | S | S | * | * | trans | -110.7 | 137.5 | -176.2 | -56.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 30 | S | 32.2 | Very low | 37.5 | Very low | 132 Ų | 132 | 146.4 Ų | 146.4 | 92% | 0.923 | 81% | 0.808 | S | S | * | * | trans | 165 | 153.2 | 136.2 | -78.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 31 | G | 34.1 | Very low | 38.1 | Very low | 70 Ų | 70 | 141.9 Ų | 141.9 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | trans | 114.1 | 108.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 32 | H | 40.8 | Very low | 38.3 | Very low | 202 Ų | 202 | 141.7 Ų | 141.7 | 94% | 0.935 | 80% | 0.804 | S | S | * | * | trans | -73.6 | 136 | 176.1 | -65.3 | 42.8 | 0 | 0 | 0 | 110.4 | ||||
| 33 | Q | 35.4 | Very low | 38.5 | Very low | 190 Ų | 190 | 142.9 Ų | 142.9 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | trans | -113.6 | 141.4 | 164.9 | -69 | -169.7 | 4 | 0 | 0 | 110.1 | ||||
| 34 | M | 42.3 | Very low | 38.6 | Very low | 190 Ų | 190 | 138.2 Ų | 138.2 | 94% | 0.936 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 151.3 | 178.9 | -70.9 | -171.7 | -94.3 | 0 | 0 | 111.7 | ||
| 35 | A | 49.7 | Very low | 39.2 | Very low | 91 Ų | 91 | 135 Ų | 135 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 143.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 36 | P | 49.9 | Very low | 39.6 | Very low | 119 Ų | 119 | 134 Ų | 134 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 138.4 | 171.7 | 30.5 | -33.8 | 0 | 0 | 0 | 110.9 | ||
| 37 | P | 47.7 | Very low | 40.2 | Very low | 126 Ų | 126 | 134 Ų | 134 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 149.1 | 176.1 | 30.6 | -34.5 | 0 | 0 | 0 | 112.4 | ||
| 38 | S | 41 | Very low | 40.8 | Very low | 109 Ų | 109 | 129.1 Ų | 129.1 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 151 | 179.4 | -54.3 | 0 | 0 | 0 | 0 | 113.4 | N40 | S38-N40 PolarHBondContact O-N 3.48Š|
| 39 | P | 47.9 | Very low | 40.9 | Very low | 127 Ų | 127 | 125.7 Ų | 125.7 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 117.8 | -179.3 | 28.2 | -34.5 | 0 | 0 | 0 | 112 | ||
| 40 | N | 35.3 | Very low | 41.2 | Very low | 146 Ų | 146 | 125.1 Ų | 125.1 | 78% | 0.781 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 121.9 | 171.2 | -170.4 | 7.6 | 0 | 0 | 0 | 110.2 | S38 N42 | S38-N40 PolarHBondContact O-N 3.48Å; N40-N42 PolarHBondContact O-N 3.31Å |
| 41 | T | 45.9 | Very low | 41.8 | Very low | 127 Ų | 127 | 123.2 Ų | 123.2 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | trans | -77.4 | 80.2 | -175.6 | 48.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 42 | N | 38 | Very low | 42.2 | Very low | 138 Ų | 138 | 123.1 Ų | 123.1 | 74% | 0.738 | 81% | 0.806 | S | S | * | * | trans | -101.4 | 89.4 | 174 | -157.4 | 7.4 | 0 | 0 | 0 | 110.3 | N40 S44 | N40-N42 PolarHBondContact O-N 3.31Å; N42-S44 VanDerWaalsContact C-N 3.28Å; N42-S44 PolarHBondContact O-N 3.25Å | ||
| 43 | S | 36.9 | Very low | 43.2 | Very low | 113 Ų | 113 | 119.5 Ų | 119.5 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | -75.8 | 68.6 | -173.5 | -55.9 | 0 | 0 | 0 | 0 | 113.2 | S45 | S43-S45 PolarHBondContact O-N 2.78Š| ||
| 44 | S | 38.6 | Very low | 45.2 | Very low | 103 Ų | 103 | 116.5 Ų | 116.5 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | -71.1 | 92.5 | 172.6 | 48.1 | 0 | 0 | 0 | 0 | 111.3 | N42 N46 | N42-S44 VanDerWaalsContact C-N 3.28Å; N42-S44 PolarHBondContact O-N 3.25Å; S44-N46 PolarHBondContact O-N 3.43Å | ||
| 45 | S | 45.2 | Very low | 47.1 | Very low | 114 Ų | 114 | 111.3 Ų | 111.3 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | trans | -65.6 | 94 | 173.2 | 58.2 | 0 | 0 | 0 | 0 | 110.9 | S43 S47 | S43-S45 PolarHBondContact O-N 2.78Å; S45-S47 PolarHBondContact O-N 3.3Å | ||
| 46 | N | 42.3 | Very low | 48.7 | Very low | 149 Ų | 149 | 107.6 Ų | 107.6 | 80% | 0.797 | 72% | 0.719 | S | S | * | * | trans | -75.1 | 104.2 | -178.4 | -172.8 | 33.4 | 0 | 0 | 0 | 111.5 | S44 | S44-N46 PolarHBondContact O-N 3.43Š| ||
| 47 | S | 44 | Very low | 50.5 | Low | 116 Ų | 116 | 109 Ų | 109 | 81% | 0.811 | 71% | 0.713 | S | S | * | * | trans | -102.3 | 95.1 | 171.4 | 61.4 | 0 | 0 | 0 | 0 | 110.2 | S45 | S45-S47 PolarHBondContact O-N 3.3Š| ||
| 48 | S | 43.7 | Very low | 52.6 | Low | 110 Ų | 110 | 105 Ų | 105 | 77% | 0.769 | 69% | 0.687 | S | S | * | * | trans | -77.2 | 135.4 | -179 | 52.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 49 | G | 37.8 | Very low | 55.1 | Low | 79 Ų | 79 | 101 Ų | 101 | 81% | 0.814 | 66% | 0.656 | S | S | * | * | trans | 139.9 | 121 | 157.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 50 | G | 36 | Very low | 57.2 | Low | 77 Ų | 77 | 94.9 Ų | 94.9 | 79% | 0.794 | 62% | 0.617 | S | S | * | * | S | Bend | trans | 92.6 | 151.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | G52 | G50-G52 VanDerWaalsContact C-N 3.29Å; G50-G52 PolarHBondContact O-N 3.27Å |
| 51 | G | 46.2 | Very low | 60 | Low | 91 Ų | 91 | 89.8 Ų | 89.8 | 94% | 0.938 | 59% | 0.587 | S | S | * | * | trans | -70.3 | 81.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | E53 | G51-E53 PolarHBondContact O-N 3.13Š| ||
| 52 | G | 41.9 | Very low | 62.3 | Low | 68 Ų | 68 | 83.7 Ų | 83.7 | 70% | 0.701 | 55% | 0.55 | S | S | * | . | trans | -72.2 | 117.3 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G50 Q54 | G50-G52 VanDerWaalsContact C-N 3.29Å; G50-G52 PolarHBondContact O-N 3.27Å; G52-Q54 PolarHBondContact O-N 3.18Å; G52-Q54 VanDerWaalsContact O-N 3.16Å | ||
| 53 | E | 62 | Low | 65 | Low | 127 Ų | 127 | 83.5 Ų | 83.5 | 59% | 0.593 | 54% | 0.539 | S | S | * | . | trans | -53.8 | 118.7 | 164 | -62.5 | 173 | 92.7 | 0 | 0 | 109.3 | G51 L55 K130 | G51-E53 PolarHBondContact O-N 3.13Å; E53-L55 PolarHBondContact O-N 3.31Å; E53-K130 VanDerWaalsContact CD-CE 3.49Å; E53-K130 WeakPolarHBondContact OE1-CD 3.39Å; E53-K130 VanDerWaalsContact OE1-CE 3.31Å; E53-K130 WeakPolarHBondContact OE1-CE 3.3Å; E53-K130 IonicContact OE1-NZ 2.66Å; E53-K130 PolarHBondContact OE1-NZ 2.96Å; E53-K130 WeakPolarHBondContact OE2-CE 3.36Å; E53-K130 IonicContact OE2-NZ 2.71Å; E53-K130 PolarHBondContact OE2-NZ 3.35Å | ||
| 54 | Q | 76.4 | Confident | 67.5 | Low | 126 Ų | 126 | 81.2 Ų | 81.2 | 59% | 0.589 | 53% | 0.533 | S | S | * | . | trans | -54.5 | 110 | -173.4 | -176.4 | 62.4 | 68 | 0 | 0 | 110.4 | G52 Q131 | G52-Q54 PolarHBondContact O-N 3.18Å; G52-Q54 VanDerWaalsContact O-N 3.16Å; Q54-Q131 HydrophobicContact CB-CB 4.5Å; Q54-Q131 HydrophobicContact CG-CB 4.26Å; Q54-Q131 WeakPolarHBondContact O-CB 3.48Å; Q54-Q131 PolarHBondContact O-N 2.89Å | ||
| 55 | L | 83.3 | Confident | 70 | Confident | 82 Ų | 82 | 77.1 Ų | 77.1 | 43% | 0.429 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 138.6 | 172.8 | -63.1 | -177.2 | 0 | 0 | 0 | 109.2 | E53 M128 K130 | E53-L55 PolarHBondContact O-N 3.31Å; L55-M128 HydrophobicContact CB-CB 4.29Å; L55-M128 HydrophobicContact CD1-CB 4.41Å; L55-K130 HydrophobicContact CD2-CG 4.1Å |
| 56 | S | 83 | Confident | 72.1 | Confident | 12 Ų | 12 | 78 Ų | 78 | 8% | 0.084 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 150.8 | 176.1 | 63.7 | 0 | 0 | 0 | 0 | 110.7 | N59 M128 A129 | S56-N59 WeakPolarHBondContact OG-CB 3.47Å; S56-N59 PolarHBondContact OG-O 3.31Å; S56-M128 WeakPolarHBondContact O-CE 3.47Å; S56-A129 WeakPolarHBondContact CB-O 3.48Å; S56-A129 PolarHBondContact N-O 2.79Å; S56-A129 PolarHBondContact OG-O 2.92Å |
| 57 | K | 87.6 | Confident | 74.3 | Confident | 149 Ų | 149 | 74.1 Ų | 74.1 | 65% | 0.648 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -24.5 | -173.8 | -61.1 | 178.7 | -177 | 175.8 | 0 | 113.2 | P109 M128 | K57-P109 HydrophobicContact CB-CB 4.26Å; K57-P109 VanDerWaalsContact O-CA 3.29Å; K57-P109 WeakPolarHBondContact O-CA 3.35Å; K57-P109 WeakPolarHBondContact O-CB 3.24Å; K57-M128 WeakPolarHBondContact O-CE 3.31Å |
| 58 | T | 91.2 | Very high | 76.4 | Confident | 42 Ų | 42 | 70.7 Ų | 70.7 | 26% | 0.258 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | -22.2 | -171.8 | 51.9 | 0 | 0 | 0 | 0 | 114.3 | D105 F106 P109 A112 | T58-D105 VanDerWaalsContact C-OD1 3.26Å; T58-D105 WeakPolarHBondContact CB-OD1 3.3Å; T58-D105 PolarHBondContact OG1-OD1 3.09Å; T58-F106 VanDerWaalsContact CB-O 3.3Å; T58-F106 WeakPolarHBondContact CB-O 3.42Å; T58-F106 WeakPolarHBondContact CG2-O 3.28Å; T58-F106 PolarHBondContact O-N 3.13Å; T58-P109 HydrophobicContact CG2-CB 4.41Å; T58-A112 WeakPolarHBondContact O-CB 3.28Å |
| 59 | N | 93.1 | Very high | 78.6 | Confident | 24 Ų | 24 | 66.6 Ų | 66.6 | 13% | 0.128 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 133.6 | -171.1 | -168.8 | -23.3 | 0 | 0 | 0 | 110.8 | S56 V104 D105 A129 | S56-N59 WeakPolarHBondContact OG-CB 3.47Å; S56-N59 PolarHBondContact OG-O 3.31Å; N59-V104 CarbonylContact C-O 3.55Å; N59-V104 WeakPolarHBondContact CA-O 3.21Å; N59-D105 HydrophobicContact CB-CB 4.22Å; N59-D105 WeakPolarHBondContact CB-OD1 3.46Å; N59-D105 PolarHBondContact N-OD1 3.46Å; N59-A129 HydrophobicContact CB-CB 4.28Å; N59-A129 WeakPolarHBondContact O-CB 3.48Å; N59-A129 PolarHBondContact O-N 3.29Å |
| 60 | L | 93.9 | Very high | 81.2 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 138.9 | -178.3 | -54.3 | -163.7 | 0 | 0 | 0 | 110.8 | I62 F103 V104 F106 A112 A115 V116 Q127 M128 | L60-I62 HydrophobicContact CB-CG1 4.36Å; L60-F103 CarbonylContact O-C 3.51Å; L60-F103 WeakPolarHBondContact O-CA 3.39Å; L60-V104 PolarHBondContact N-O 2.81Å; L60-V104 PolarHBondContact O-N 3.13Å; L60-F106 HydrophobicContact CD1-CD2 4.32Å; L60-F106 HydrophobicContact CD1-CE2 3.67Å; L60-F106 HydrophobicContact CG-CD2 4.22Å; L60-F106 HydrophobicContact CG-CE2 4.02Å; L60-A112 HydrophobicContact CD2-CB 3.9Å; L60-A115 HydrophobicContact CD1-CB 3.78Å; L60-V116 HydrophobicContact CD1-CG2 3.73Å; L60-V116 HydrophobicContact CD2-CG2 3.36Å; L60-V116 HydrophobicContact CG-CG2 4.13Å; L60-Q127 CarbonylContact C-O 3.44Å; L60-Q127 VanDerWaalsContact CA-O 3.25Å; L60-Q127 WeakPolarHBondContact CA-O 3.38Å; L60-M128 HydrophobicContact CD2-CE 3.73Å; L60-M128 HydrophobicContact CD2-SD 3.49Å; L60-M128 WeakPolarHBondContact CD2-SD 3.18Å |
| 61 | Y | 94 | Very high | 83.9 | Confident | 38 Ų | 38 | 65.9 Ų | 65.9 | 15% | 0.149 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125.1 | 163.8 | 172.5 | -106.5 | 0 | 0 | 0 | 108.3 | R63 Y101 F103 A126 Q127 | Y61-R63 HydrophobicContact CE1-CB 3.93Å; Y61-R63 PolarHBondContact OH-NH1 3.25Å; Y61-Y101 HydrophobicContact CD2-CD2 4.42Å; Y61-Y101 AromaticContact CE2-CD2 3.56Å; Y61-Y101 HydrophobicContact CE2-CD2 3.56Å; Y61-Y101 HydrophobicContact CE2-CE2 4.36Å; Y61-Y101 AromaticContact CE2-CG 3.89Å; Y61-Y101 HydrophobicContact CE2-CG 3.89Å; Y61-F103 HydrophobicContact CD2-CD1 4.35Å; Y61-F103 AromaticContact CD2-CE1 3.72Å; Y61-F103 HydrophobicContact CD2-CE1 3.72Å; Y61-F103 HydrophobicContact CD2-CE2 4.48Å; Y61-F103 AromaticContact CD2-CZ 3.8Å; Y61-F103 HydrophobicContact CD2-CZ 3.8Å; Y61-F103 HydrophobicContact CE2-CZ 4.36Å; Y61-F103 HydrophobicContact CG-CE1 4.41Å; Y61-A126 WeakPolarHBondContact O-CA 3.24Å; Y61-Q127 HydrophobicContact CD1-CG 3.9Å; Y61-Q127 PolarHBondContact N-O 3.28Å; Y61-Q127 PolarHBondContact O-N 3.03Å |
| 62 | I | 94.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127.2 | -179.7 | -51.3 | 179.9 | 0 | 0 | 0 | 108.7 | L60 L65 L74 Y101 G102 V104 L119 V124 Q125 A126 | L60-I62 HydrophobicContact CB-CG1 4.36Å; I62-L65 HydrophobicContact CB-CD2 4.5Å; I62-L65 HydrophobicContact CG2-CD2 3.72Å; I62-L74 HydrophobicContact CD1-CD2 4.29Å; I62-Y101 CarbonylContact O-C 3.59Å; I62-Y101 WeakPolarHBondContact O-CA 3.37Å; I62-Y101 WeakPolarHBondContact O-CB 3.14Å; I62-G102 PolarHBondContact N-O 2.85Å; I62-G102 PolarHBondContact O-N 3.12Å; I62-V104 HydrophobicContact CD1-CB 4.41Å; I62-V104 HydrophobicContact CD1-CG2 3.8Å; I62-L119 HydrophobicContact CD1-CD1 3.97Å; I62-V124 HydrophobicContact CG2-CG1 3.47Å; I62-V124 VanDerWaalsContact CG2-CG1 3.47Å; I62-Q125 WeakPolarHBondContact CA-O 3.26Å; I62-A126 HydrophobicContact CG1-CB 4.19Å |
| 63 | R | 93.5 | Very high | 88.5 | Confident | 134 Ų | 134 | 67 Ų | 67 | 51% | 0.506 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 161.8 | -178.3 | -168.5 | 178.9 | -178.7 | 110.4 | -4.6 | 110.6 | Y61 G100 Q125 | Y61-R63 HydrophobicContact CE1-CB 3.93Å; Y61-R63 PolarHBondContact OH-NH1 3.25Å; R63-G100 CarbonylContact C-O 3.52Å; R63-G100 WeakPolarHBondContact CA-O 3.49Å; R63-Q125 HydrophobicContact CB-CB 4.02Å; R63-Q125 PolarHBondContact N-O 2.84Å; R63-Q125 WeakPolarHBondContact O-CB 3.17Å |
| 64 | G | 89.1 | Confident | 90 | Very high | 64 Ų | 64 | 61 Ų | 61 | 66% | 0.66 | 33% | 0.328 | S | S | * | . | S | Bend | trans | 82 | 19.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G100 | G64-G100 PolarHBondContact N-O 2.66Š|
| 65 | L | 91.1 | Very high | 90.8 | Very high | 17 Ų | 17 | 57.2 Ų | 57.2 | 9% | 0.089 | 31% | 0.314 | C | S | . | . | trans | -69.8 | 151.9 | 176.6 | -54.2 | -177.8 | 0 | 0 | 0 | 110.9 | I62 T69 L74 G100 | I62-L65 HydrophobicContact CB-CD2 4.5Å; I62-L65 HydrophobicContact CG2-CD2 3.72Å; L65-T69 HydrophobicContact CB-CG2 4.24Å; L65-T69 HydrophobicContact CD1-CG2 4.23Å; L65-T69 HydrophobicContact CD2-CG2 4.31Å; L65-T69 HydrophobicContact CG-CG2 4.5Å; L65-L74 HydrophobicContact CD1-CD1 4.42Å; L65-L74 HydrophobicContact CD1-CD2 3.81Å; L65-L74 HydrophobicContact CD1-CG 4.45Å; L65-L74 HydrophobicContact CD2-CD2 4.02Å; L65-G100 PolarHBondContact N-O 3.12Å; L65-G100 WeakPolarHBondContact O-CA 3.44Å | ||
| 66 | H | 89.5 | Confident | 91.3 | Very high | 133 Ų | 133 | 59.1 Ų | 59.1 | 62% | 0.616 | 32% | 0.318 | S | S | * | . | trans | -69.7 | 146.7 | 174 | -174.2 | -111.3 | 0 | 0 | 0 | 109.9 | G68 T69 | H66-G68 PolarHBondContact ND1-N 3.31Å; H66-G68 PolarHBondContact O-N 2.83Å; H66-T69 WeakPolarHBondContact CB-OG1 3.47Å; H66-T69 PolarHBondContact N-OG1 3.05Å; H66-T69 VanDerWaalsContact N-OG1 3.12Å; H66-T69 WeakPolarHBondContact O-CB 3.35Å; H66-T69 PolarHBondContact O-N 3Å; H66-T69 PolarHBondContact O-OG1 3.18Å | ||
| 67 | P | 88.5 | Confident | 91.7 | Very high | 67 Ų | 67 | 61.3 Ų | 61.3 | 44% | 0.435 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -11.5 | 176.1 | 19.4 | -33.9 | 0 | 0 | 0 | 115.4 | C98 | P67-C98 WeakPolarHBondContact O-CB 3.03Å; P67-C98 PolarHBondContact O-N 3.04Å; P67-C98 PolarHBondContact O-SG 3.29Å |
| 68 | G | 88.5 | Confident | 91.9 | Very high | 44 Ų | 44 | 54.2 Ų | 54.2 | 45% | 0.454 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 3.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | H66 T70 | H66-G68 PolarHBondContact ND1-N 3.31Å; H66-G68 PolarHBondContact O-N 2.83Å; G68-T70 PolarHBondContact O-N 3.01Å |
| 69 | T | 90.4 | Very high | 92 | Very high | 24 Ų | 24 | 57.7 Ų | 57.7 | 15% | 0.147 | 31% | 0.311 | C | S | . | . | trans | -71.3 | 105.8 | -176.8 | -62.4 | 0 | 0 | 0 | 0 | 112 | L65 H66 D73 L74 A89 C98 | L65-T69 HydrophobicContact CB-CG2 4.24Å; L65-T69 HydrophobicContact CD1-CG2 4.23Å; L65-T69 HydrophobicContact CD2-CG2 4.31Å; L65-T69 HydrophobicContact CG-CG2 4.5Å; H66-T69 WeakPolarHBondContact CB-OG1 3.47Å; H66-T69 PolarHBondContact N-OG1 3.05Å; H66-T69 VanDerWaalsContact N-OG1 3.12Å; H66-T69 WeakPolarHBondContact O-CB 3.35Å; H66-T69 PolarHBondContact O-N 3Å; H66-T69 PolarHBondContact O-OG1 3.18Å; T69-D73 HydrophobicContact CG2-CB 3.94Å; T69-L74 HydrophobicContact CG2-CD2 4.45Å; T69-L74 HydrophobicContact CG2-CG 4.39Å; T69-A89 WeakPolarHBondContact O-CB 3.42Å; T69-C98 PolarHBondContact O-SG 2.84Å | ||
| 70 | T | 92.6 | Very high | 92 | Very high | 64 Ų | 64 | 60.7 Ų | 60.7 | 39% | 0.393 | 33% | 0.332 | S | S | . | . | trans | -81.3 | 170.8 | -179.7 | 70.2 | 0 | 0 | 0 | 0 | 112.9 | G68 Q72 D73 L74 | G68-T70 PolarHBondContact O-N 3.01Å; T70-Q72 PolarHBondContact O-N 2.64Å; T70-Q72 PolarHBondContact OG1-N 3.09Å; T70-D73 WeakPolarHBondContact CB-OD2 3.32Å; T70-D73 PolarHBondContact N-OD2 3.37Å; T70-D73 PolarHBondContact O-N 2.95Å; T70-D73 PolarHBondContact OG1-OD2 3.01Å; T70-L74 PolarHBondContact O-N 2.84Å; T70-L74 VanDerWaalsContact O-N 3.16Å | ||
| 71 | D | 91.7 | Very high | 91.9 | Very high | 77 Ų | 77 | 63 Ų | 63 | 41% | 0.412 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -51 | -39.5 | 169 | -62 | -25.3 | 0 | 0 | 0 | 111.9 | D73 L74 V75 T87 K88 A89 | D71-D73 VanDerWaalsContact C-N 3.27Å; D71-D73 PolarHBondContact O-N 2.88Å; D71-L74 WeakPolarHBondContact O-CB 3.32Å; D71-L74 PolarHBondContact O-N 3.1Å; D71-V75 WeakPolarHBondContact O-CG2 3.43Å; D71-V75 PolarHBondContact O-N 3.45Å; D71-T87 PolarHBondContact O-OG1 3.25Å; D71-K88 VanDerWaalsContact OD1-CA 3.3Å; D71-K88 WeakPolarHBondContact OD1-CA 3.44Å; D71-A89 PolarHBondContact OD1-N 3.28Å |
| 72 | Q | 92.7 | Very high | 91.8 | Very high | 133 Ų | 133 | 62.4 Ų | 62.4 | 62% | 0.621 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65 | -31.3 | 178.2 | -59.7 | -173 | 11.2 | 0 | 0 | 112.7 | T70 V75 K76 | T70-Q72 PolarHBondContact O-N 2.64Å; T70-Q72 PolarHBondContact OG1-N 3.09Å; Q72-V75 WeakPolarHBondContact O-CB 3.19Å; Q72-V75 PolarHBondContact O-N 3.46Å; Q72-K76 WeakPolarHBondContact O-CE 3.38Å; Q72-K76 VanDerWaalsContact O-CG 3.26Å; Q72-K76 WeakPolarHBondContact O-CG 3.48Å; Q72-K76 PolarHBondContact O-N 2.92Å |
| 73 | D | 92.9 | Very high | 91.8 | Very high | 51 Ų | 51 | 68.8 Ų | 68.8 | 27% | 0.273 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -79 | -32.5 | -179.1 | -53.2 | -51 | 0 | 0 | 0 | 110.8 | T69 T70 D71 K76 L77 | T69-D73 HydrophobicContact CG2-CB 3.94Å; T70-D73 WeakPolarHBondContact CB-OD2 3.32Å; T70-D73 PolarHBondContact N-OD2 3.37Å; T70-D73 PolarHBondContact O-N 2.95Å; T70-D73 PolarHBondContact OG1-OD2 3.01Å; D71-D73 VanDerWaalsContact C-N 3.27Å; D71-D73 PolarHBondContact O-N 2.88Å; D73-K76 PolarHBondContact O-N 2.96Å; D73-K76 IonicContact OD1-NZ 2.66Å; D73-K76 PolarHBondContact OD1-NZ 3.3Å; D73-L77 WeakPolarHBondContact O-CB 3.17Å; D73-L77 PolarHBondContact O-N 2.89Å |
| 74 | L | 92.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 165.2 | -70.1 | 177.5 | 0 | 0 | 0 | 112.1 | I62 L65 T69 T70 D71 C78 T87 A89 V104 | I62-L74 HydrophobicContact CD1-CD2 4.29Å; L65-L74 HydrophobicContact CD1-CD1 4.42Å; L65-L74 HydrophobicContact CD1-CD2 3.81Å; L65-L74 HydrophobicContact CD1-CG 4.45Å; L65-L74 HydrophobicContact CD2-CD2 4.02Å; T69-L74 HydrophobicContact CG2-CD2 4.45Å; T69-L74 HydrophobicContact CG2-CG 4.39Å; T70-L74 PolarHBondContact O-N 2.84Å; T70-L74 VanDerWaalsContact O-N 3.16Å; D71-L74 WeakPolarHBondContact O-CB 3.32Å; D71-L74 PolarHBondContact O-N 3.1Å; L74-C78 VanDerWaalsContact O-CB 3.31Å; L74-C78 WeakPolarHBondContact O-CB 3.47Å; L74-C78 PolarHBondContact O-N 2.96Å; L74-T87 HydrophobicContact CB-CG2 4.07Å; L74-A89 HydrophobicContact CD1-CB 4.09Å; L74-V104 HydrophobicContact CB-CG2 4.04Å; L74-V104 HydrophobicContact CD1-CG2 4.39Å; L74-V104 HydrophobicContact CD2-CG2 4.32Å; L74-V104 HydrophobicContact CG-CG2 4.5Å |
| 75 | V | 93.9 | Very high | 92 | Very high | 47 Ų | 47 | 65.2 Ų | 65.2 | 29% | 0.285 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.8 | -55.2 | 173.1 | 173.3 | 0 | 0 | 0 | 0 | 110.1 | D71 Q72 L77 C78 Q79 I84 T87 | D71-V75 WeakPolarHBondContact O-CG2 3.43Å; D71-V75 PolarHBondContact O-N 3.45Å; Q72-V75 WeakPolarHBondContact O-CB 3.19Å; Q72-V75 PolarHBondContact O-N 3.46Å; V75-L77 VanDerWaalsContact C-N 3.28Å; V75-L77 PolarHBondContact O-N 3.38Å; V75-C78 PolarHBondContact O-N 2.74Å; V75-C78 VanDerWaalsContact O-N 3.15Å; V75-Q79 WeakPolarHBondContact O-CB 3.45Å; V75-Q79 PolarHBondContact O-N 3Å; V75-I84 HydrophobicContact CG1-CD1 4.42Å; V75-T87 HydrophobicContact CB-CG2 4.45Å; V75-T87 HydrophobicContact CG2-CG2 3.49Å; V75-T87 VanDerWaalsContact CG2-CG2 3.49Å |
| 76 | K | 92.9 | Very high | 91.9 | Very high | 122 Ų | 122 | 67 Ų | 67 | 53% | 0.53 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -54.6 | -43.4 | -179.7 | -66.3 | 161.5 | -153.8 | 163.6 | 0 | 112.2 | Q72 D73 | Q72-K76 WeakPolarHBondContact O-CE 3.38Å; Q72-K76 VanDerWaalsContact O-CG 3.26Å; Q72-K76 WeakPolarHBondContact O-CG 3.48Å; Q72-K76 PolarHBondContact O-N 2.92Å; D73-K76 PolarHBondContact O-N 2.96Å; D73-K76 IonicContact OD1-NZ 2.66Å; D73-K76 PolarHBondContact OD1-NZ 3.3Å |
| 77 | L | 91.2 | Very high | 92 | Very high | 57 Ų | 57 | 62 Ų | 62 | 30% | 0.298 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.2 | -36.2 | -179.4 | 179.6 | 61.1 | 0 | 0 | 0 | 113 | D73 V75 Y81 L119 | D73-L77 WeakPolarHBondContact O-CB 3.17Å; D73-L77 PolarHBondContact O-N 2.89Å; V75-L77 VanDerWaalsContact C-N 3.28Å; V75-L77 PolarHBondContact O-N 3.38Å; L77-Y81 VanDerWaalsContact O-CE2 3.31Å; L77-Y81 WeakPolarHBondContact O-CE2 3.38Å; L77-L119 HydrophobicContact CD1-CD2 3.71Å; L77-L119 HydrophobicContact CD2-CD2 4.12Å; L77-L119 HydrophobicContact CG-CD2 3.71Å |
| 78 | C | 92.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -100.1 | -21.5 | -172.7 | -71.9 | 0 | 0 | 0 | 0 | 114.8 | L74 V75 P80 Y81 I84 V104 F106 | L74-C78 VanDerWaalsContact O-CB 3.31Å; L74-C78 WeakPolarHBondContact O-CB 3.47Å; L74-C78 PolarHBondContact O-N 2.96Å; V75-C78 PolarHBondContact O-N 2.74Å; V75-C78 VanDerWaalsContact O-N 3.15Å; C78-P80 VanDerWaalsContact C-CD 3.4Å; C78-Y81 PolarHBondContact O-N 2.64Å; C78-Y81 VanDerWaalsContact O-N 3.11Å; C78-I84 HydrophobicContact CB-CD1 3.62Å; C78-I84 HydrophobicContact CB-CG1 4.38Å; C78-V104 HydrophobicContact CB-CG1 3.88Å; C78-F106 HydrophobicContact CB-CE2 4.5Å; C78-F106 HydrophobicContact CB-CZ 3.81Å |
| 79 | Q | 92.8 | Very high | 92.3 | Very high | 115 Ų | 115 | 61.5 Ų | 61.5 | 54% | 0.537 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -52.6 | -38.7 | -179.5 | 179.2 | 174.2 | -11.2 | 0 | 0 | 115.6 | V75 Y81 G82 | V75-Q79 WeakPolarHBondContact O-CB 3.45Å; V75-Q79 PolarHBondContact O-N 3Å; Q79-Y81 PolarHBondContact O-N 3.22Å; Q79-Y81 VanDerWaalsContact O-N 3.16Å; Q79-G82 PolarHBondContact O-N 2.99Å |
| 80 | P | 93.9 | Very high | 92.4 | Very high | 87 Ų | 87 | 61.9 Ų | 61.9 | 57% | 0.565 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -68.3 | -11.4 | 179.2 | 26.5 | -35.8 | 0 | 0 | 0 | 114.3 | C78 | C78-P80 VanDerWaalsContact C-CD 3.4Š|
| 81 | Y | 92.5 | Very high | 92.4 | Very high | 50 Ų | 50 | 62.9 Ų | 62.9 | 20% | 0.196 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -93.2 | -24.8 | -179.5 | -51.4 | -54.4 | 0 | 0 | 0 | 113.3 | L77 C78 Q79 A115 A118 L119 | L77-Y81 VanDerWaalsContact O-CE2 3.31Å; L77-Y81 WeakPolarHBondContact O-CE2 3.38Å; C78-Y81 PolarHBondContact O-N 2.64Å; C78-Y81 VanDerWaalsContact O-N 3.11Å; Q79-Y81 PolarHBondContact O-N 3.22Å; Q79-Y81 VanDerWaalsContact O-N 3.16Å; Y81-A115 HydrophobicContact CD2-CB 3.73Å; Y81-A115 HydrophobicContact CG-CB 3.88Å; Y81-A118 HydrophobicContact CD1-CB 3.86Å; Y81-A118 HydrophobicContact CE1-CB 3.28Å; Y81-A118 HydrophobicContact CE2-CB 4.44Å; Y81-L119 HydrophobicContact CE2-CD2 3.84Å; Y81-L119 HydrophobicContact CE2-CG 3.9Å |
| 82 | G | 91.9 | Very high | 92.3 | Very high | 24 Ų | 24 | 61.4 Ų | 61.4 | 25% | 0.247 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 165.3 | -178.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q79 I84 | Q79-G82 PolarHBondContact O-N 2.99Å; G82-I84 PolarHBondContact O-N 2.89Å |
| 83 | K | 93.8 | Very high | 92.1 | Very high | 134 Ų | 134 | 64.3 Ų | 64.3 | 58% | 0.583 | 33% | 0.331 | S | S | * | . | trans | -66 | 124.4 | 178.2 | 178.4 | -178.6 | 152.6 | -153 | 0 | 110.7 | F106 D107 | K83-F106 WeakPolarHBondContact O-CD1 3.36Å; K83-D107 HydrophobicContact CB-CB 3.94Å; K83-D107 HydrophobicContact CD-CB 3.89Å; K83-D107 WeakPolarHBondContact CD-OD2 3.39Å; K83-D107 VanDerWaalsContact CE-OD1 3.23Å; K83-D107 WeakPolarHBondContact CE-OD1 3.4Å; K83-D107 WeakPolarHBondContact CE-OD2 3.43Å; K83-D107 HydrophobicContact CG-CB 3.88Å; K83-D107 IonicContact NZ-OD1 2.65Å; K83-D107 PolarHBondContact NZ-OD1 2.8Å; K83-D107 IonicContact NZ-OD2 2.63Å; K83-D107 PolarHBondContact NZ-OD2 2.72Å; K83-D107 WeakPolarHBondContact O-CB 3.03Å; K83-D107 PolarHBondContact O-N 2.9Å | ||
| 84 | I | 93.7 | Very high | 91.9 | Very high | 37 Ų | 37 | 67.5 Ų | 67.5 | 19% | 0.19 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 136 | 176.7 | -60.9 | 171.8 | 0 | 0 | 0 | 109.3 | V75 C78 G82 S86 T87 V104 D105 F106 | V75-I84 HydrophobicContact CG1-CD1 4.42Å; C78-I84 HydrophobicContact CB-CD1 3.62Å; C78-I84 HydrophobicContact CB-CG1 4.38Å; G82-I84 PolarHBondContact O-N 2.89Å; I84-S86 VanDerWaalsContact CG2-O 3.3Å; I84-S86 WeakPolarHBondContact CG2-O 3.38Å; I84-T87 HydrophobicContact CD1-CG2 4.38Å; I84-T87 HydrophobicContact CG2-CG2 3.76Å; I84-V104 HydrophobicContact CD1-CG1 4.22Å; I84-V104 HydrophobicContact CG1-CG1 4.21Å; I84-V104 HydrophobicContact CG2-CG1 4.07Å; I84-D105 WeakPolarHBondContact CG2-O 3Å; I84-F106 HydrophobicContact CG1-CD1 4.29Å; I84-F106 HydrophobicContact CG1-CE1 3.99Å; I84-F106 HydrophobicContact CG1-CZ 4.41Å |
| 85 | V | 92.5 | Very high | 91.8 | Very high | 86 Ų | 86 | 71.4 Ų | 71.4 | 52% | 0.521 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -39.5 | 171.5 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | D105 D107 | V85-D105 PolarHBondContact N-O 2.93Å; V85-D107 HydrophobicContact CG2-CB 3.93Å |
| 86 | S | 88.6 | Confident | 91.5 | Very high | 56 Ų | 56 | 74.8 Ų | 74.8 | 39% | 0.392 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 150.4 | -178.7 | -170.2 | 0 | 0 | 0 | 0 | 112.5 | I84 V104 D105 | I84-S86 VanDerWaalsContact CG2-O 3.3Å; I84-S86 WeakPolarHBondContact CG2-O 3.38Å; S86-V104 WeakPolarHBondContact O-CA 3.38Å; S86-D105 PolarHBondContact N-O 2.77Å; S86-D105 PolarHBondContact O-N 2.99Å |
| 87 | T | 92.4 | Very high | 91.3 | Very high | 26 Ų | 26 | 75.2 Ų | 75.2 | 16% | 0.16 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 151.9 | 166 | 59.2 | 0 | 0 | 0 | 0 | 109.9 | D71 L74 V75 I84 F103 V104 | D71-T87 PolarHBondContact O-OG1 3.25Å; L74-T87 HydrophobicContact CB-CG2 4.07Å; V75-T87 HydrophobicContact CB-CG2 4.45Å; V75-T87 HydrophobicContact CG2-CG2 3.49Å; V75-T87 VanDerWaalsContact CG2-CG2 3.49Å; I84-T87 HydrophobicContact CD1-CG2 4.38Å; I84-T87 HydrophobicContact CG2-CG2 3.76Å; T87-F103 CarbonylContact C-O 3.53Å; T87-F103 WeakPolarHBondContact CA-O 3.12Å; T87-V104 HydrophobicContact CG2-CG1 4.17Å; T87-V104 HydrophobicContact CG2-CG2 4.04Å |
| 88 | K | 91.6 | Very high | 91.3 | Very high | 93 Ų | 93 | 73.2 Ų | 73.2 | 40% | 0.404 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 96 | 179.1 | -166.4 | -177 | -177.8 | 177.8 | 0 | 111.9 | D71 I90 G102 F103 | D71-K88 VanDerWaalsContact OD1-CA 3.3Å; D71-K88 WeakPolarHBondContact OD1-CA 3.44Å; K88-I90 HydrophobicContact CD-CD1 4.02Å; K88-I90 HydrophobicContact CG-CD1 4.01Å; K88-G102 CarbonylContact O-C 3.57Å; K88-G102 WeakPolarHBondContact O-CA 3.31Å; K88-F103 PolarHBondContact N-O 2.88Å; K88-F103 PolarHBondContact O-N 3.15Å |
| 89 | A | 92.5 | Very high | 91.3 | Very high | 8 Ų | 8 | 78.5 Ų | 78.5 | 7% | 0.066 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 133.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | T69 D71 L74 L91 | T69-A89 WeakPolarHBondContact O-CB 3.42Å; D71-A89 PolarHBondContact OD1-N 3.28Å; L74-A89 HydrophobicContact CD1-CB 4.09Å; A89-L91 PolarHBondContact O-N 2.8Å |
| 90 | I | 91.6 | Very high | 91.2 | Very high | 33 Ų | 33 | 73.9 Ų | 73.9 | 17% | 0.169 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 105.1 | 176.6 | -57.2 | -54.8 | 0 | 0 | 0 | 108.7 | K88 K99 Y101 F103 | K88-I90 HydrophobicContact CD-CD1 4.02Å; K88-I90 HydrophobicContact CG-CD1 4.01Å; I90-K99 HydrophobicContact CG2-CD 3.91Å; I90-K99 WeakPolarHBondContact O-CB 3.49Å; I90-K99 WeakPolarHBondContact O-CG 3.41Å; I90-K99 PolarHBondContact O-N 2.78Å; I90-Y101 HydrophobicContact CB-CD2 3.98Å; I90-Y101 HydrophobicContact CB-CE2 3.66Å; I90-Y101 HydrophobicContact CG1-CD2 3.79Å; I90-Y101 HydrophobicContact CG1-CE2 3.52Å; I90-Y101 HydrophobicContact CG2-CE2 3.93Å; I90-Y101 PolarHBondContact N-O 3.39Å; I90-F103 HydrophobicContact CD1-CD2 3.96Å; I90-F103 HydrophobicContact CD1-CE2 4.03Å; I90-F103 HydrophobicContact CG1-CD2 3.94Å; I90-F103 HydrophobicContact CG1-CE2 3.79Å |
| 91 | L | 91.6 | Very high | 91.2 | Very high | 85 Ų | 85 | 72.3 Ų | 72.3 | 45% | 0.445 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 146.8 | 172.3 | -52.5 | -174.4 | 0 | 0 | 0 | 111.1 | A89 K97 C98 | A89-L91 PolarHBondContact O-N 2.8Å; L91-K97 CarbonylContact C-O 3.56Å; L91-K97 WeakPolarHBondContact CA-O 3.3Å; L91-C98 HydrophobicContact CD2-CB 4.21Å; L91-C98 WeakPolarHBondContact CD2-SG 3.47Å |
| 92 | D | 90.1 | Very high | 91.2 | Very high | 46 Ų | 46 | 69.9 Ų | 69.9 | 25% | 0.246 | 37% | 0.366 | C | S | . | . | trans | -76.5 | 141.1 | 164 | 172.3 | 38.1 | 0 | 0 | 0 | 110 | T94 T95 N96 K97 K99 | D92-T94 PolarHBondContact OD2-OG1 2.79Å; D92-T95 WeakPolarHBondContact CB-OG1 3.46Å; D92-T95 WeakPolarHBondContact OD2-CB 3.47Å; D92-T95 WeakPolarHBondContact OD2-CG2 3.5Å; D92-T95 PolarHBondContact OD2-N 2.81Å; D92-T95 VanDerWaalsContact OD2-N 3.09Å; D92-T95 PolarHBondContact OD2-OG1 2.92Å; D92-N96 WeakPolarHBondContact O-CA 3.37Å; D92-N96 PolarHBondContact O-N 3.47Å; D92-K97 PolarHBondContact N-O 3.35Å; D92-K99 HydrophobicContact CB-CD 4.37Å; D92-K99 HydrophobicContact CB-CG 3.83Å | ||
| 93 | K | 87.9 | Confident | 91.4 | Very high | 193 Ų | 193 | 71.5 Ų | 71.5 | 84% | 0.839 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -26.5 | -173 | -71.5 | -174.6 | 177.8 | -179.4 | 0 | 113.6 | ||
| 94 | T | 90.4 | Very high | 91.4 | Very high | 118 Ų | 118 | 65.1 Ų | 65.1 | 72% | 0.724 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -47.3 | -179.1 | 55.9 | 0 | 0 | 0 | 0 | 110.6 | D92 | D92-T94 PolarHBondContact OD2-OG1 2.79Š|
| 95 | T | 89.5 | Confident | 91.3 | Very high | 83 Ų | 83 | 65.3 Ų | 65.3 | 51% | 0.509 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -15.4 | -178.5 | 63.3 | 0 | 0 | 0 | 0 | 114.8 | D92 K97 | D92-T95 WeakPolarHBondContact CB-OG1 3.46Å; D92-T95 WeakPolarHBondContact OD2-CB 3.47Å; D92-T95 WeakPolarHBondContact OD2-CG2 3.5Å; D92-T95 PolarHBondContact OD2-N 2.81Å; D92-T95 VanDerWaalsContact OD2-N 3.09Å; D92-T95 PolarHBondContact OD2-OG1 2.92Å; T95-K97 PolarHBondContact O-N 3.07Å; T95-K97 VanDerWaalsContact O-N 3.1Å; T95-K97 PolarHBondContact OG1-N 3.45Å |
| 96 | N | 87.4 | Confident | 91.4 | Very high | 117 Ų | 117 | 61.3 Ų | 61.3 | 63% | 0.626 | 32% | 0.315 | S | S | * | . | trans | 55.6 | 15.8 | -169.6 | -68.8 | -87.1 | 0 | 0 | 0 | 114.5 | D92 | D92-N96 WeakPolarHBondContact O-CA 3.37Å; D92-N96 PolarHBondContact O-N 3.47Å | ||
| 97 | K | 90.1 | Very high | 91.6 | Very high | 132 Ų | 132 | 62.9 Ų | 62.9 | 57% | 0.574 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -97.5 | 162.2 | 176 | -66.1 | -172.1 | -178.2 | -176.1 | 0 | 111.5 | L91 D92 T95 | L91-K97 CarbonylContact C-O 3.56Å; L91-K97 WeakPolarHBondContact CA-O 3.3Å; D92-K97 PolarHBondContact N-O 3.35Å; T95-K97 PolarHBondContact O-N 3.07Å; T95-K97 VanDerWaalsContact O-N 3.1Å; T95-K97 PolarHBondContact OG1-N 3.45Å |
| 98 | C | 90.2 | Very high | 91.7 | Very high | 14 Ų | 14 | 64 Ų | 64 | 10% | 0.095 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 131.4 | -174.5 | -45.7 | 0 | 0 | 0 | 0 | 110.6 | P67 T69 L91 G100 | P67-C98 WeakPolarHBondContact O-CB 3.03Å; P67-C98 PolarHBondContact O-N 3.04Å; P67-C98 PolarHBondContact O-SG 3.29Å; T69-C98 PolarHBondContact O-SG 2.84Å; L91-C98 HydrophobicContact CD2-CB 4.21Å; L91-C98 WeakPolarHBondContact CD2-SG 3.47Å; C98-G100 PolarHBondContact O-N 2.68Å |
| 99 | K | 91.8 | Very high | 91.8 | Very high | 111 Ų | 111 | 62.6 Ų | 62.6 | 48% | 0.483 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 17.3 | -179.7 | -62.8 | -175.4 | 75.6 | -166.3 | 0 | 114.4 | I90 D92 Y101 | I90-K99 HydrophobicContact CG2-CD 3.91Å; I90-K99 WeakPolarHBondContact O-CB 3.49Å; I90-K99 WeakPolarHBondContact O-CG 3.41Å; I90-K99 PolarHBondContact O-N 2.78Å; D92-K99 HydrophobicContact CB-CD 4.37Å; D92-K99 HydrophobicContact CB-CG 3.83Å; K99-Y101 VanDerWaalsContact C-N 3.27Å; K99-Y101 HydrophobicContact CB-CD1 3.87Å; K99-Y101 HydrophobicContact CB-CE1 3.53Å; K99-Y101 HydrophobicContact CD-CE1 4.2Å; K99-Y101 HydrophobicContact CG-CE1 4.5Å; K99-Y101 PolarHBondContact NZ-OH 3.29Å; K99-Y101 VanDerWaalsContact O-CD1 3.27Å; K99-Y101 WeakPolarHBondContact O-CD1 3.46Å; K99-Y101 PolarHBondContact O-N 3.04Å |
| 100 | G | 91.6 | Very high | 91.9 | Very high | 19 Ų | 19 | 65.2 Ų | 65.2 | 20% | 0.196 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 71.7 | 12.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | R63 G64 L65 C98 | R63-G100 CarbonylContact C-O 3.52Å; R63-G100 WeakPolarHBondContact CA-O 3.49Å; G64-G100 PolarHBondContact N-O 2.66Å; L65-G100 PolarHBondContact N-O 3.12Å; L65-G100 WeakPolarHBondContact O-CA 3.44Å; C98-G100 PolarHBondContact O-N 2.68Å |
| 101 | Y | 93.5 | Very high | 92 | Very high | 53 Ų | 53 | 64.3 Ų | 64.3 | 21% | 0.208 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 158.8 | 174.8 | 68 | -88.3 | 0 | 0 | 0 | 113.7 | Y61 I62 I90 K99 F103 | Y61-Y101 HydrophobicContact CD2-CD2 4.42Å; Y61-Y101 AromaticContact CE2-CD2 3.56Å; Y61-Y101 HydrophobicContact CE2-CD2 3.56Å; Y61-Y101 HydrophobicContact CE2-CE2 4.36Å; Y61-Y101 AromaticContact CE2-CG 3.89Å; Y61-Y101 HydrophobicContact CE2-CG 3.89Å; I62-Y101 CarbonylContact O-C 3.59Å; I62-Y101 WeakPolarHBondContact O-CA 3.37Å; I62-Y101 WeakPolarHBondContact O-CB 3.14Å; I90-Y101 HydrophobicContact CB-CD2 3.98Å; I90-Y101 HydrophobicContact CB-CE2 3.66Å; I90-Y101 HydrophobicContact CG1-CD2 3.79Å; I90-Y101 HydrophobicContact CG1-CE2 3.52Å; I90-Y101 HydrophobicContact CG2-CE2 3.93Å; I90-Y101 PolarHBondContact N-O 3.39Å; K99-Y101 VanDerWaalsContact C-N 3.27Å; K99-Y101 HydrophobicContact CB-CD1 3.87Å; K99-Y101 HydrophobicContact CB-CE1 3.53Å; K99-Y101 HydrophobicContact CD-CE1 4.2Å; K99-Y101 HydrophobicContact CG-CE1 4.5Å; K99-Y101 PolarHBondContact NZ-OH 3.29Å; K99-Y101 VanDerWaalsContact O-CD1 3.27Å; K99-Y101 WeakPolarHBondContact O-CD1 3.46Å; K99-Y101 PolarHBondContact O-N 3.04Å; Y101-F103 HydrophobicContact CD2-CE2 4.31Å; Y101-F103 HydrophobicContact CE2-CE2 4.31Å |
| 102 | G | 93.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 177.4 | 180 | 0 | 0 | 0 | 0 | 0 | 112.5 | I62 K88 | I62-G102 PolarHBondContact N-O 2.85Å; I62-G102 PolarHBondContact O-N 3.12Å; K88-G102 CarbonylContact O-C 3.57Å; K88-G102 WeakPolarHBondContact O-CA 3.31Å |
| 103 | F | 94.5 | Very high | 92.4 | Very high | 58 Ų | 58 | 64.1 Ų | 64.1 | 25% | 0.254 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 146.2 | -179.2 | -63.3 | -89.7 | 0 | 0 | 0 | 111.5 | L60 Y61 T87 K88 I90 Y101 A129 | L60-F103 CarbonylContact O-C 3.51Å; L60-F103 WeakPolarHBondContact O-CA 3.39Å; Y61-F103 HydrophobicContact CD2-CD1 4.35Å; Y61-F103 AromaticContact CD2-CE1 3.72Å; Y61-F103 HydrophobicContact CD2-CE1 3.72Å; Y61-F103 HydrophobicContact CD2-CE2 4.48Å; Y61-F103 AromaticContact CD2-CZ 3.8Å; Y61-F103 HydrophobicContact CD2-CZ 3.8Å; Y61-F103 HydrophobicContact CE2-CZ 4.36Å; Y61-F103 HydrophobicContact CG-CE1 4.41Å; T87-F103 CarbonylContact C-O 3.53Å; T87-F103 WeakPolarHBondContact CA-O 3.12Å; K88-F103 PolarHBondContact N-O 2.88Å; K88-F103 PolarHBondContact O-N 3.15Å; I90-F103 HydrophobicContact CD1-CD2 3.96Å; I90-F103 HydrophobicContact CD1-CE2 4.03Å; I90-F103 HydrophobicContact CG1-CD2 3.94Å; I90-F103 HydrophobicContact CG1-CE2 3.79Å; Y101-F103 HydrophobicContact CD2-CE2 4.31Å; Y101-F103 HydrophobicContact CE2-CE2 4.31Å; F103-A129 HydrophobicContact CD1-CB 3.99Å; F103-A129 HydrophobicContact CE1-CB 4.08Å |
| 104 | V | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 118.7 | 177.2 | 179.5 | 0 | 0 | 0 | 0 | 109.6 | N59 L60 I62 L74 C78 I84 S86 T87 F106 | N59-V104 CarbonylContact C-O 3.55Å; N59-V104 WeakPolarHBondContact CA-O 3.21Å; L60-V104 PolarHBondContact N-O 2.81Å; L60-V104 PolarHBondContact O-N 3.13Å; I62-V104 HydrophobicContact CD1-CB 4.41Å; I62-V104 HydrophobicContact CD1-CG2 3.8Å; L74-V104 HydrophobicContact CB-CG2 4.04Å; L74-V104 HydrophobicContact CD1-CG2 4.39Å; L74-V104 HydrophobicContact CD2-CG2 4.32Å; L74-V104 HydrophobicContact CG-CG2 4.5Å; C78-V104 HydrophobicContact CB-CG1 3.88Å; I84-V104 HydrophobicContact CD1-CG1 4.22Å; I84-V104 HydrophobicContact CG1-CG1 4.21Å; I84-V104 HydrophobicContact CG2-CG1 4.07Å; S86-V104 WeakPolarHBondContact O-CA 3.38Å; T87-V104 HydrophobicContact CG2-CG1 4.17Å; T87-V104 HydrophobicContact CG2-CG2 4.04Å; V104-F106 HydrophobicContact CB-CE2 4.47Å; V104-F106 HydrophobicContact CG1-CD2 4.15Å; V104-F106 HydrophobicContact CG1-CE2 3.66Å; V104-F106 HydrophobicContact CG1-CZ 4.14Å |
| 105 | D | 92.8 | Very high | 92.9 | Very high | 40 Ų | 40 | 55.1 Ų | 55.1 | 21% | 0.214 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 129.8 | -179.8 | -166.8 | 31 | 0 | 0 | 0 | 110.8 | T58 N59 I84 V85 S86 | T58-D105 VanDerWaalsContact C-OD1 3.26Å; T58-D105 WeakPolarHBondContact CB-OD1 3.3Å; T58-D105 PolarHBondContact OG1-OD1 3.09Å; N59-D105 HydrophobicContact CB-CB 4.22Å; N59-D105 WeakPolarHBondContact CB-OD1 3.46Å; N59-D105 PolarHBondContact N-OD1 3.46Å; I84-D105 WeakPolarHBondContact CG2-O 3Å; V85-D105 PolarHBondContact N-O 2.93Å; S86-D105 PolarHBondContact N-O 2.77Å; S86-D105 PolarHBondContact O-N 2.99Å |
| 106 | F | 94.3 | Very high | 93.1 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 1% | 0.013 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 152.7 | -176.2 | -76.4 | -93.9 | 0 | 0 | 0 | 112.8 | T58 L60 C78 K83 I84 V104 S108 A111 A112 A115 | T58-F106 VanDerWaalsContact CB-O 3.3Å; T58-F106 WeakPolarHBondContact CB-O 3.42Å; T58-F106 WeakPolarHBondContact CG2-O 3.28Å; T58-F106 PolarHBondContact O-N 3.13Å; L60-F106 HydrophobicContact CD1-CD2 4.32Å; L60-F106 HydrophobicContact CD1-CE2 3.67Å; L60-F106 HydrophobicContact CG-CD2 4.22Å; L60-F106 HydrophobicContact CG-CE2 4.02Å; C78-F106 HydrophobicContact CB-CE2 4.5Å; C78-F106 HydrophobicContact CB-CZ 3.81Å; K83-F106 WeakPolarHBondContact O-CD1 3.36Å; I84-F106 HydrophobicContact CG1-CD1 4.29Å; I84-F106 HydrophobicContact CG1-CE1 3.99Å; I84-F106 HydrophobicContact CG1-CZ 4.41Å; V104-F106 HydrophobicContact CB-CE2 4.47Å; V104-F106 HydrophobicContact CG1-CD2 4.15Å; V104-F106 HydrophobicContact CG1-CE2 3.66Å; V104-F106 HydrophobicContact CG1-CZ 4.14Å; F106-S108 PolarHBondContact O-N 3.36Å; F106-A111 HydrophobicContact CB-CB 4.32Å; F106-A111 HydrophobicContact CD1-CB 3.81Å; F106-A111 HydrophobicContact CE1-CB 4.47Å; F106-A111 HydrophobicContact CG-CB 4.3Å; F106-A112 HydrophobicContact CB-CB 4.14Å; F106-A112 HydrophobicContact CD2-CB 4Å; F106-A112 HydrophobicContact CG-CB 4.31Å; F106-A115 HydrophobicContact CE1-CB 4.35Å; F106-A115 HydrophobicContact CE2-CB 3.77Å; F106-A115 HydrophobicContact CZ-CB 3.5Å |
| 107 | D | 93.1 | Very high | 93.4 | Very high | 89 Ų | 89 | 50.6 Ų | 50.6 | 48% | 0.476 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -69.4 | -13.3 | 178.3 | -157.7 | 68.2 | 0 | 0 | 0 | 113.2 | K83 V85 | K83-D107 HydrophobicContact CB-CB 3.94Å; K83-D107 HydrophobicContact CD-CB 3.89Å; K83-D107 WeakPolarHBondContact CD-OD2 3.39Å; K83-D107 VanDerWaalsContact CE-OD1 3.23Å; K83-D107 WeakPolarHBondContact CE-OD1 3.4Å; K83-D107 WeakPolarHBondContact CE-OD2 3.43Å; K83-D107 HydrophobicContact CG-CB 3.88Å; K83-D107 IonicContact NZ-OD1 2.65Å; K83-D107 PolarHBondContact NZ-OD1 2.8Å; K83-D107 IonicContact NZ-OD2 2.63Å; K83-D107 PolarHBondContact NZ-OD2 2.72Å; K83-D107 WeakPolarHBondContact O-CB 3.03Å; K83-D107 PolarHBondContact O-N 2.9Å; V85-D107 HydrophobicContact CG2-CB 3.93Å |
| 108 | S | 93.8 | Very high | 93.6 | Very high | 49 Ų | 49 | 45.7 Ų | 45.7 | 34% | 0.343 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -146.2 | 137.6 | -179.8 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | F106 A110 A111 A112 | F106-S108 PolarHBondContact O-N 3.36Å; S108-A110 PolarHBondContact O-N 3.03Å; S108-A110 PolarHBondContact OG-N 2.97Å; S108-A111 WeakPolarHBondContact O-CB 3.26Å; S108-A111 PolarHBondContact O-N 3.28Å; S108-A111 VanDerWaalsContact O-N 3.14Å; S108-A112 PolarHBondContact O-N 3.33Å |
| 109 | P | 93.1 | Very high | 93.7 | Very high | 64 Ų | 64 | 45 Ų | 45 | 42% | 0.416 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.2 | -28.8 | 178.1 | 27.3 | -35.6 | 0 | 0 | 0 | 112.8 | K57 T58 A111 A112 Q113 | K57-P109 HydrophobicContact CB-CB 4.26Å; K57-P109 VanDerWaalsContact O-CA 3.29Å; K57-P109 WeakPolarHBondContact O-CA 3.35Å; K57-P109 WeakPolarHBondContact O-CB 3.24Å; T58-P109 HydrophobicContact CG2-CB 4.41Å; P109-A111 VanDerWaalsContact C-N 3.34Å; P109-A112 PolarHBondContact O-N 3.24Å; P109-Q113 WeakPolarHBondContact O-CG 3.41Å; P109-Q113 PolarHBondContact O-N 2.85Å |
| 110 | A | 94.8 | Very high | 93.7 | Very high | 63 Ų | 63 | 45.8 Ų | 45.8 | 52% | 0.521 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.9 | -36.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | S108 K114 | S108-A110 PolarHBondContact O-N 3.03Å; S108-A110 PolarHBondContact OG-N 2.97Å; A110-K114 WeakPolarHBondContact O-CB 3.39Å; A110-K114 PolarHBondContact O-N 3.45Å |
| 111 | A | 94.8 | Very high | 93.7 | Very high | 14 Ų | 14 | 49.9 Ų | 49.9 | 12% | 0.116 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.4 | -41.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F106 S108 P109 K114 A115 | F106-A111 HydrophobicContact CB-CB 4.32Å; F106-A111 HydrophobicContact CD1-CB 3.81Å; F106-A111 HydrophobicContact CE1-CB 4.47Å; F106-A111 HydrophobicContact CG-CB 4.3Å; S108-A111 WeakPolarHBondContact O-CB 3.26Å; S108-A111 PolarHBondContact O-N 3.28Å; S108-A111 VanDerWaalsContact O-N 3.14Å; P109-A111 VanDerWaalsContact C-N 3.34Å; A111-K114 PolarHBondContact O-N 3.46Å; A111-A115 WeakPolarHBondContact O-CB 3.42Å; A111-A115 PolarHBondContact O-N 2.71Å |
| 112 | A | 94.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.7 | -48.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | T58 L60 F106 S108 P109 A115 V116 M128 | T58-A112 WeakPolarHBondContact O-CB 3.28Å; L60-A112 HydrophobicContact CD2-CB 3.9Å; F106-A112 HydrophobicContact CB-CB 4.14Å; F106-A112 HydrophobicContact CD2-CB 4Å; F106-A112 HydrophobicContact CG-CB 4.31Å; S108-A112 PolarHBondContact O-N 3.33Å; P109-A112 PolarHBondContact O-N 3.24Å; A112-A115 PolarHBondContact O-N 2.76Å; A112-V116 WeakPolarHBondContact O-CG2 3.39Å; A112-V116 PolarHBondContact O-N 2.85Å; A112-M128 HydrophobicContact CB-CE 4Å |
| 113 | Q | 93.8 | Very high | 93.2 | Very high | 126 Ų | 126 | 54.3 Ų | 54.3 | 59% | 0.589 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -62.5 | -44.1 | 176.6 | -72.7 | -179.9 | -20.4 | 0 | 0 | 112.5 | P109 A115 V116 T117 | P109-Q113 WeakPolarHBondContact O-CG 3.41Å; P109-Q113 PolarHBondContact O-N 2.85Å; Q113-A115 VanDerWaalsContact C-N 3.31Å; Q113-A115 PolarHBondContact O-N 3.44Å; Q113-V116 PolarHBondContact O-N 3.31Å; Q113-T117 PolarHBondContact O-N 2.95Å; Q113-T117 VanDerWaalsContact O-N 3.15Å; Q113-T117 PolarHBondContact O-OG1 2.66Å |
| 114 | K | 94.5 | Very high | 93 | Very high | 122 Ų | 122 | 53.2 Ų | 53.2 | 53% | 0.53 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.7 | -44.4 | 174.7 | -177.5 | -174 | 174.9 | -166.7 | 0 | 111.5 | A110 A111 T117 A118 | A110-K114 WeakPolarHBondContact O-CB 3.39Å; A110-K114 PolarHBondContact O-N 3.45Å; A111-K114 PolarHBondContact O-N 3.46Å; K114-T117 PolarHBondContact O-N 2.73Å; K114-A118 WeakPolarHBondContact O-CB 3.29Å; K114-A118 PolarHBondContact O-N 2.88Å |
| 115 | A | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.7 | -45.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L60 Y81 F106 A111 A112 Q113 T117 A118 L119 | L60-A115 HydrophobicContact CD1-CB 3.78Å; Y81-A115 HydrophobicContact CD2-CB 3.73Å; Y81-A115 HydrophobicContact CG-CB 3.88Å; F106-A115 HydrophobicContact CE1-CB 4.35Å; F106-A115 HydrophobicContact CE2-CB 3.77Å; F106-A115 HydrophobicContact CZ-CB 3.5Å; A111-A115 WeakPolarHBondContact O-CB 3.42Å; A111-A115 PolarHBondContact O-N 2.71Å; A112-A115 PolarHBondContact O-N 2.76Å; Q113-A115 VanDerWaalsContact C-N 3.31Å; Q113-A115 PolarHBondContact O-N 3.44Å; A115-T117 VanDerWaalsContact C-N 3.34Å; A115-T117 PolarHBondContact O-N 2.82Å; A115-A118 PolarHBondContact O-N 2.84Å; A115-L119 HydrophobicContact CB-CD1 4.48Å; A115-L119 WeakPolarHBondContact O-CB 3.42Å; A115-L119 WeakPolarHBondContact O-CD1 3.36Å; A115-L119 WeakPolarHBondContact O-CG 3.38Å; A115-L119 PolarHBondContact O-N 3.16Å |
| 116 | V | 94.6 | Very high | 93 | Very high | 13 Ų | 13 | 57.2 Ų | 57.2 | 8% | 0.079 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -55.9 | -48.6 | 175.9 | 170.5 | 0 | 0 | 0 | 0 | 111.6 | L60 A112 Q113 K120 M128 | L60-V116 HydrophobicContact CD1-CG2 3.73Å; L60-V116 HydrophobicContact CD2-CG2 3.36Å; L60-V116 HydrophobicContact CG-CG2 4.13Å; A112-V116 WeakPolarHBondContact O-CG2 3.39Å; A112-V116 PolarHBondContact O-N 2.85Å; Q113-V116 PolarHBondContact O-N 3.31Å; V116-K120 HydrophobicContact CG1-CD 4.03Å; V116-K120 WeakPolarHBondContact O-CB 3.31Å; V116-K120 VanDerWaalsContact O-CG 3.27Å; V116-K120 WeakPolarHBondContact O-CG 3.27Å; V116-K120 PolarHBondContact O-N 3.08Å; V116-M128 HydrophobicContact CG2-SD 3.81Å |
| 117 | T | 93.9 | Very high | 92.9 | Very high | 93 Ų | 93 | 61.3 Ų | 61.3 | 57% | 0.571 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.9 | -48.9 | -178.8 | -58.5 | 0 | 0 | 0 | 0 | 111.3 | Q113 K114 A115 K120 S121 | Q113-T117 PolarHBondContact O-N 2.95Å; Q113-T117 VanDerWaalsContact O-N 3.15Å; Q113-T117 PolarHBondContact O-OG1 2.66Å; K114-T117 PolarHBondContact O-N 2.73Å; A115-T117 VanDerWaalsContact C-N 3.34Å; A115-T117 PolarHBondContact O-N 2.82Å; T117-K120 PolarHBondContact O-N 3.35Å; T117-S121 PolarHBondContact O-N 3.13Å; T117-S121 PolarHBondContact O-OG 3Å |
| 118 | A | 93.7 | Very high | 92.9 | Very high | 29 Ų | 29 | 58.7 Ų | 58.7 | 24% | 0.24 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66 | -39.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y81 K114 A115 S121 S122 | Y81-A118 HydrophobicContact CD1-CB 3.86Å; Y81-A118 HydrophobicContact CE1-CB 3.28Å; Y81-A118 HydrophobicContact CE2-CB 4.44Å; K114-A118 WeakPolarHBondContact O-CB 3.29Å; K114-A118 PolarHBondContact O-N 2.88Å; A115-A118 PolarHBondContact O-N 2.84Å; A118-S121 PolarHBondContact O-N 2.77Å; A118-S122 WeakPolarHBondContact O-CB 3.23Å; A118-S122 PolarHBondContact O-N 3.16Å |
| 119 | L | 92.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66 | -42.2 | 176.9 | -71.2 | 170.6 | 0 | 0 | 0 | 111.7 | I62 L77 Y81 A115 S121 S122 G123 V124 A126 | I62-L119 HydrophobicContact CD1-CD1 3.97Å; L77-L119 HydrophobicContact CD1-CD2 3.71Å; L77-L119 HydrophobicContact CD2-CD2 4.12Å; L77-L119 HydrophobicContact CG-CD2 3.71Å; Y81-L119 HydrophobicContact CE2-CD2 3.84Å; Y81-L119 HydrophobicContact CE2-CG 3.9Å; A115-L119 HydrophobicContact CB-CD1 4.48Å; A115-L119 WeakPolarHBondContact O-CB 3.42Å; A115-L119 WeakPolarHBondContact O-CD1 3.36Å; A115-L119 WeakPolarHBondContact O-CG 3.38Å; A115-L119 PolarHBondContact O-N 3.16Å; L119-S121 PolarHBondContact O-N 3.19Å; L119-S122 CarbonylContact O-C 3.48Å; L119-S122 WeakPolarHBondContact O-CA 3.38Å; L119-S122 WeakPolarHBondContact O-CB 3.25Å; L119-S122 PolarHBondContact O-N 3.05Å; L119-G123 PolarHBondContact O-N 3.28Å; L119-V124 CarbonylContact C-O 3.54Å; L119-V124 HydrophobicContact CB-CB 4.18Å; L119-V124 HydrophobicContact CB-CG1 4.43Å; L119-V124 HydrophobicContact CD2-CB 4.42Å; L119-V124 HydrophobicContact CD2-CG1 4.48Å; L119-V124 WeakPolarHBondContact O-CB 3.44Å; L119-V124 PolarHBondContact O-N 2.93Å; L119-A126 HydrophobicContact CB-CB 3.58Å; L119-A126 HydrophobicContact CD1-CB 3.74Å; L119-A126 HydrophobicContact CG-CB 4.32Å |
| 120 | K | 92.3 | Very high | 92.3 | Very high | 126 Ų | 126 | 58.9 Ų | 58.9 | 55% | 0.548 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.4 | -45.7 | 172.1 | -77.2 | 178.3 | 178.3 | -172 | 0 | 111.8 | V116 T117 S122 G123 V124 A126 | V116-K120 HydrophobicContact CG1-CD 4.03Å; V116-K120 WeakPolarHBondContact O-CB 3.31Å; V116-K120 VanDerWaalsContact O-CG 3.27Å; V116-K120 WeakPolarHBondContact O-CG 3.27Å; V116-K120 PolarHBondContact O-N 3.08Å; T117-K120 PolarHBondContact O-N 3.35Å; K120-S122 PolarHBondContact O-N 3.47Å; K120-G123 PolarHBondContact O-N 3.36Å; K120-V124 WeakPolarHBondContact CA-O 3.46Å; K120-A126 WeakPolarHBondContact CE-O 3.5Å |
| 121 | S | 91.6 | Very high | 91.4 | Very high | 105 Ų | 105 | 60.9 Ų | 60.9 | 73% | 0.734 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.4 | -27.3 | 174.6 | -63.6 | 0 | 0 | 0 | 0 | 113.2 | T117 A118 L119 G123 | T117-S121 PolarHBondContact O-N 3.13Å; T117-S121 PolarHBondContact O-OG 3Å; A118-S121 PolarHBondContact O-N 2.77Å; L119-S121 PolarHBondContact O-N 3.19Å; S121-G123 VanDerWaalsContact C-N 3.26Å; S121-G123 PolarHBondContact O-N 2.91Å |
| 122 | S | 88.8 | Confident | 90.2 | Very high | 80 Ų | 80 | 67.2 Ų | 67.2 | 56% | 0.559 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 8.3 | 173.3 | -169.2 | 0 | 0 | 0 | 0 | 113.9 | A118 L119 K120 V124 | A118-S122 WeakPolarHBondContact O-CB 3.23Å; A118-S122 PolarHBondContact O-N 3.16Å; L119-S122 CarbonylContact O-C 3.48Å; L119-S122 WeakPolarHBondContact O-CA 3.38Å; L119-S122 WeakPolarHBondContact O-CB 3.25Å; L119-S122 PolarHBondContact O-N 3.05Å; K120-S122 PolarHBondContact O-N 3.47Å; S122-V124 VanDerWaalsContact C-N 3.3Å; S122-V124 PolarHBondContact O-N 3.17Å |
| 123 | G | 87.9 | Confident | 88.9 | Confident | 67 Ų | 67 | 73.5 Ų | 73.5 | 69% | 0.691 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | 4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L119 K120 S121 | L119-G123 PolarHBondContact O-N 3.28Å; K120-G123 PolarHBondContact O-N 3.36Å; S121-G123 VanDerWaalsContact C-N 3.26Å; S121-G123 PolarHBondContact O-N 2.91Å |
| 124 | V | 90.3 | Very high | 87.4 | Confident | 34 Ų | 34 | 72.6 Ų | 72.6 | 21% | 0.206 | 39% | 0.388 | C | S | . | . | trans | -88.4 | 132.6 | 179.5 | 177 | 0 | 0 | 0 | 0 | 110.1 | I62 L119 K120 S122 A126 | I62-V124 HydrophobicContact CG2-CG1 3.47Å; I62-V124 VanDerWaalsContact CG2-CG1 3.47Å; L119-V124 CarbonylContact C-O 3.54Å; L119-V124 HydrophobicContact CB-CB 4.18Å; L119-V124 HydrophobicContact CB-CG1 4.43Å; L119-V124 HydrophobicContact CD2-CB 4.42Å; L119-V124 HydrophobicContact CD2-CG1 4.48Å; L119-V124 WeakPolarHBondContact O-CB 3.44Å; L119-V124 PolarHBondContact O-N 2.93Å; K120-V124 WeakPolarHBondContact CA-O 3.46Å; S122-V124 VanDerWaalsContact C-N 3.3Å; S122-V124 PolarHBondContact O-N 3.17Å; V124-A126 PolarHBondContact O-N 3.23Å | ||
| 125 | Q | 92 | Very high | 86.1 | Confident | 122 Ų | 122 | 67.9 Ų | 67.9 | 57% | 0.57 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 70.3 | -179.6 | -61.3 | -178.4 | -8 | 0 | 0 | 111.6 | I62 R63 | I62-Q125 WeakPolarHBondContact CA-O 3.26Å; R63-Q125 HydrophobicContact CB-CB 4.02Å; R63-Q125 PolarHBondContact N-O 2.84Å; R63-Q125 WeakPolarHBondContact O-CB 3.17Å |
| 126 | A | 93.3 | Very high | 85.4 | Confident | 2 Ų | 2 | 72 Ų | 72 | 2% | 0.017 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 145 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y61 I62 L119 K120 V124 | Y61-A126 WeakPolarHBondContact O-CA 3.24Å; I62-A126 HydrophobicContact CG1-CB 4.19Å; L119-A126 HydrophobicContact CB-CB 3.58Å; L119-A126 HydrophobicContact CD1-CB 3.74Å; L119-A126 HydrophobicContact CG-CB 4.32Å; K120-A126 WeakPolarHBondContact CE-O 3.5Å; V124-A126 PolarHBondContact O-N 3.23Å |
| 127 | Q | 93.4 | Very high | 85.1 | Confident | 90 Ų | 90 | 72.2 Ų | 72.2 | 42% | 0.421 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 170 | 171.3 | 56 | 170.1 | 81.4 | 0 | 0 | 110 | L60 Y61 A129 | L60-Q127 CarbonylContact C-O 3.44Å; L60-Q127 VanDerWaalsContact CA-O 3.25Å; L60-Q127 WeakPolarHBondContact CA-O 3.38Å; Y61-Q127 HydrophobicContact CD1-CG 3.9Å; Y61-Q127 PolarHBondContact N-O 3.28Å; Y61-Q127 PolarHBondContact O-N 3.03Å; Q127-A129 PolarHBondContact O-N 2.97Å |
| 128 | M | 93.2 | Very high | 85 | Confident | 34 Ų | 34 | 69.4 Ų | 69.4 | 17% | 0.167 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 136.1 | 166.1 | -54.1 | -49.3 | -61.8 | 0 | 0 | 109.3 | L55 S56 K57 L60 A112 V116 | L55-M128 HydrophobicContact CB-CB 4.29Å; L55-M128 HydrophobicContact CD1-CB 4.41Å; S56-M128 WeakPolarHBondContact O-CE 3.47Å; K57-M128 WeakPolarHBondContact O-CE 3.31Å; L60-M128 HydrophobicContact CD2-CE 3.73Å; L60-M128 HydrophobicContact CD2-SD 3.49Å; L60-M128 WeakPolarHBondContact CD2-SD 3.18Å; A112-M128 HydrophobicContact CB-CE 4Å; V116-M128 HydrophobicContact CG2-SD 3.81Å |
| 129 | A | 89.3 | Confident | 85 | Confident | 2 Ų | 2 | 68 Ų | 68 | 2% | 0.017 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 145.7 | 172 | 0 | 0 | 0 | 0 | 0 | 109.7 | S56 N59 F103 Q127 Q131 | S56-A129 WeakPolarHBondContact CB-O 3.48Å; S56-A129 PolarHBondContact N-O 2.79Å; S56-A129 PolarHBondContact OG-O 2.92Å; N59-A129 HydrophobicContact CB-CB 4.28Å; N59-A129 WeakPolarHBondContact O-CB 3.48Å; N59-A129 PolarHBondContact O-N 3.29Å; F103-A129 HydrophobicContact CD1-CB 3.99Å; F103-A129 HydrophobicContact CE1-CB 4.08Å; Q127-A129 PolarHBondContact O-N 2.97Å; A129-Q131 PolarHBondContact O-N 2.89Å |
| 130 | K | 85.2 | Confident | 85.1 | Confident | 115 Ų | 115 | 70.8 Ų | 70.8 | 50% | 0.5 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 130.5 | 162.2 | -65.3 | -178.4 | 175.7 | -170.3 | 0 | 107.8 | E53 L55 Q132 | E53-K130 VanDerWaalsContact CD-CE 3.49Å; E53-K130 WeakPolarHBondContact OE1-CD 3.39Å; E53-K130 VanDerWaalsContact OE1-CE 3.31Å; E53-K130 WeakPolarHBondContact OE1-CE 3.3Å; E53-K130 IonicContact OE1-NZ 2.66Å; E53-K130 PolarHBondContact OE1-NZ 2.96Å; E53-K130 WeakPolarHBondContact OE2-CE 3.36Å; E53-K130 IonicContact OE2-NZ 2.71Å; E53-K130 PolarHBondContact OE2-NZ 3.35Å; L55-K130 HydrophobicContact CD2-CG 4.1Å; K130-Q132 PolarHBondContact O-N 2.9Å |
| 131 | Q | 76.1 | Confident | 85.1 | Confident | 104 Ų | 104 | 64.8 Ų | 64.8 | 49% | 0.486 | 35% | 0.351 | S | S | . | . | trans | -68 | 106.4 | 174.4 | -172.3 | 166.8 | -35.8 | 0 | 0 | 107 | Q54 A129 E133 | Q54-Q131 HydrophobicContact CB-CB 4.5Å; Q54-Q131 HydrophobicContact CG-CB 4.26Å; Q54-Q131 WeakPolarHBondContact O-CB 3.48Å; Q54-Q131 PolarHBondContact O-N 2.89Å; A129-Q131 PolarHBondContact O-N 2.89Å; Q131-E133 PolarHBondContact O-N 3.33Å | ||
| 132 | Q | 68.8 | Low | 85.2 | Confident | 147 Ų | 147 | 60.1 Ų | 60.1 | 69% | 0.687 | 32% | 0.318 | S | S | * | . | trans | -67.7 | 107.1 | 167.6 | -175.6 | 159.1 | 23.4 | 0 | 0 | 106.9 | K130 Q134 | K130-Q132 PolarHBondContact O-N 2.9Å; Q132-Q134 PolarHBondContact O-N 2.92Å; Q132-Q134 VanDerWaalsContact O-N 3.12Å | ||
| 133 | E | 66.6 | Low | 85.3 | Confident | 132 Ų | 132 | 58.3 Ų | 58.3 | 62% | 0.617 | 30% | 0.303 | S | S | * | . | trans | -53.4 | 117.1 | 174.3 | -165.3 | 170.2 | -144.9 | 0 | 0 | 108.3 | Q131 D135 R183 | Q131-E133 PolarHBondContact O-N 3.33Å; E133-D135 PolarHBondContact O-N 2.87Å; E133-R183 IonicContact OE2-NH1 2.78Å | ||
| 134 | Q | 63.8 | Low | 85.4 | Confident | 108 Ų | 108 | 55.5 Ų | 55.5 | 51% | 0.505 | 27% | 0.272 | S | S | . | . | trans | -90.3 | 86.8 | 165.4 | -70.7 | -160.8 | 3 | 0 | 0 | 106.3 | Q132 P136 G222 Q224 | Q132-Q134 PolarHBondContact O-N 2.92Å; Q132-Q134 VanDerWaalsContact O-N 3.12Å; Q134-P136 WeakPolarHBondContact O-CD 3.39Å; Q134-P136 VanDerWaalsContact O-N 3.13Å; Q134-G222 PolarHBondContact NE2-O 3.31Å; Q134-Q224 VanDerWaalsContact NE2-N 3.19Å | ||
| 135 | D | 67.1 | Low | 85.3 | Confident | 22 Ų | 22 | 54.4 Ų | 54.4 | 12% | 0.118 | 27% | 0.265 | C | S | . | . | trans | -60.5 | 112.6 | 169.7 | -3.8 | -61 | 0 | 0 | 0 | 107.7 | E133 T137 N138 R183 | E133-D135 PolarHBondContact O-N 2.87Å; D135-T137 PolarHBondContact O-N 2.95Å; D135-N138 HydrophobicContact CB-CB 4.21Å; D135-N138 WeakPolarHBondContact O-CB 3.44Å; D135-N138 PolarHBondContact O-N 2.91Å; D135-N138 PolarHBondContact OD2-ND2 3.41Å; D135-R183 HydrophobicContact CB-CG 4.28Å; D135-R183 IonicContact OD1-CZ 3.89Å; D135-R183 IonicContact OD1-NE 2.73Å; D135-R183 IonicContact OD1-NH1 3.85Å; D135-R183 IonicContact OD1-NH2 3.56Å; D135-R183 PolarHBondContact OD1-NH2 2.66Å; D135-R183 IonicContact OD2-CZ 3.91Å; D135-R183 IonicContact OD2-NE 2.69Å; D135-R183 PolarHBondContact OD2-NE 3.04Å; D135-R183 IonicContact OD2-NH2 3.18Å; D135-R183 PolarHBondContact OD2-NH2 3.3Å | ||
| 136 | P | 78.8 | Confident | 85 | Confident | 86 Ų | 86 | 53 Ų | 53 | 56% | 0.558 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -12.5 | 175.8 | 33.8 | -37 | 0 | 0 | 0 | 110.6 | Q134 N138 T187 F219 | Q134-P136 WeakPolarHBondContact O-CD 3.39Å; Q134-P136 VanDerWaalsContact O-N 3.13Å; P136-N138 VanDerWaalsContact C-N 3.3Å; P136-T187 HydrophobicContact CB-CG2 3.64Å; P136-T187 HydrophobicContact CG-CG2 3.78Å; P136-F219 VanDerWaalsContact O-CD1 3.3Å; P136-F219 WeakPolarHBondContact O-CD1 3.39Å; P136-F219 VanDerWaalsContact O-CE1 3.23Å; P136-F219 WeakPolarHBondContact O-CE1 3.27Å |
| 137 | T | 88.9 | Confident | 84.7 | Confident | 19 Ų | 19 | 55.1 Ų | 55.1 | 12% | 0.117 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 11 | 177.4 | 72.5 | 0 | 0 | 0 | 0 | 113.7 | D135 R183 M184 T187 C190 | D135-T137 PolarHBondContact O-N 2.95Å; T137-R183 WeakPolarHBondContact O-CA 3.47Å; T137-R183 WeakPolarHBondContact OG1-CG 3.35Å; T137-M184 WeakPolarHBondContact CB-O 3.34Å; T137-M184 PolarHBondContact O-N 2.75Å; T137-M184 PolarHBondContact OG1-O 2.84Å; T137-T187 HydrophobicContact CG2-CG2 4.15Å; T137-C190 WeakPolarHBondContact CA-SG 3.47Å; T137-C190 PolarHBondContact O-SG 3.2Å |
| 138 | N | 92.3 | Very high | 84.4 | Confident | 33 Ų | 33 | 51.2 Ų | 51.2 | 18% | 0.176 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 127.2 | 179.8 | -158.5 | -35.3 | 0 | 0 | 0 | 110.7 | D135 P136 A220 | D135-N138 HydrophobicContact CB-CB 4.21Å; D135-N138 WeakPolarHBondContact O-CB 3.44Å; D135-N138 PolarHBondContact O-N 2.91Å; D135-N138 PolarHBondContact OD2-ND2 3.41Å; P136-N138 VanDerWaalsContact C-N 3.3Å; N138-A220 HydrophobicContact CB-CB 4.08Å; N138-A220 WeakPolarHBondContact O-CB 3.33Å; N138-A220 PolarHBondContact O-N 2.97Å |
| 139 | L | 93.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 141.9 | 179.6 | -70 | 170.2 | 0 | 0 | 0 | 111 | I141 F181 A182 M184 C190 I193 I194 K218 | L139-I141 HydrophobicContact CB-CG1 4.35Å; L139-F181 VanDerWaalsContact O-CA 3.24Å; L139-F181 WeakPolarHBondContact O-CA 3.46Å; L139-A182 WeakPolarHBondContact CB-O 3.48Å; L139-A182 PolarHBondContact N-O 2.99Å; L139-A182 PolarHBondContact O-N 3.48Å; L139-A182 VanDerWaalsContact O-N 3.13Å; L139-M184 HydrophobicContact CD1-CG 3.89Å; L139-M184 HydrophobicContact CD1-SD 4.45Å; L139-C190 HydrophobicContact CD2-CB 3.66Å; L139-C190 HydrophobicContact CG-CB 4.1Å; L139-I193 HydrophobicContact CD1-CB 4.11Å; L139-I193 HydrophobicContact CD1-CD1 4Å; L139-I193 HydrophobicContact CD1-CG2 3.6Å; L139-I194 HydrophobicContact CD2-CD1 3.71Å; L139-I194 HydrophobicContact CD2-CG1 3.7Å; L139-K218 WeakPolarHBondContact CA-O 3.12Å |
| 140 | Y | 93.8 | Very high | 84.5 | Confident | 58 Ų | 58 | 55.7 Ų | 55.7 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 126 | 162.8 | 171.6 | -84.2 | 0 | 0 | 0 | 108.1 | S142 V179 F181 L216 K218 | Y140-S142 WeakPolarHBondContact OH-CB 3.17Å; Y140-V179 HydrophobicContact CD2-CG1 4.25Å; Y140-V179 HydrophobicContact CE2-CG1 3.54Å; Y140-F181 AromaticContact CD2-CE1 3.84Å; Y140-F181 HydrophobicContact CD2-CE1 3.84Å; Y140-F181 HydrophobicContact CD2-CE2 4.39Å; Y140-F181 AromaticContact CD2-CZ 3.73Å; Y140-F181 HydrophobicContact CD2-CZ 3.73Å; Y140-F181 HydrophobicContact CE2-CZ 4.33Å; Y140-L216 HydrophobicContact CE1-CD2 4.37Å; Y140-K218 HydrophobicContact CD1-CD 4.45Å; Y140-K218 HydrophobicContact CD1-CG 3.98Å; Y140-K218 PolarHBondContact N-O 3.31Å; Y140-K218 PolarHBondContact O-N 3.05Å; Y140-K218 VanDerWaalsContact O-O 3.09Å |
| 141 | I | 93.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 119.4 | -180 | -56.8 | 170.7 | 0 | 0 | 0 | 107.1 | L139 L144 L153 L157 V179 G180 A182 L216 | L139-I141 HydrophobicContact CB-CG1 4.35Å; I141-L144 HydrophobicContact CG2-CD1 4.33Å; I141-L144 HydrophobicContact CG2-CD2 3.68Å; I141-L144 HydrophobicContact CG2-CG 4.02Å; I141-L153 HydrophobicContact CD1-CD1 3.95Å; I141-L157 HydrophobicContact CD1-CD1 3.84Å; I141-L157 HydrophobicContact CD1-CD2 4.15Å; I141-V179 CarbonylContact O-C 3.58Å; I141-V179 WeakPolarHBondContact O-CA 3.21Å; I141-G180 PolarHBondContact N-O 3.03Å; I141-G180 PolarHBondContact O-N 3.37Å; I141-G180 VanDerWaalsContact O-O 3.12Å; I141-A182 HydrophobicContact CD1-CB 4.45Å; I141-L216 CarbonylContact C-O 3.56Å; I141-L216 VanDerWaalsContact CA-O 3.31Å; I141-L216 WeakPolarHBondContact CA-O 3.42Å |
| 142 | S | 92.6 | Very high | 85.6 | Confident | 7 Ų | 7 | 56.8 Ų | 56.8 | 5% | 0.049 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 172.5 | 171.6 | 75.5 | 0 | 0 | 0 | 0 | 113 | Y140 L144 G178 L216 | Y140-S142 WeakPolarHBondContact OH-CB 3.17Å; S142-L144 VanDerWaalsContact C-N 3.26Å; S142-G178 CarbonylContact C-O 3.43Å; S142-G178 WeakPolarHBondContact CA-O 3.07Å; S142-L216 PolarHBondContact N-O 3.14Å; S142-L216 PolarHBondContact O-N 3.38Å |
| 143 | N | 91.1 | Very high | 86.7 | Confident | 43 Ų | 43 | 49.8 Ų | 49.8 | 23% | 0.23 | 26% | 0.258 | C | S | . | . | S | Bend | trans | 71.7 | 25.6 | -175.4 | -48.7 | 6.1 | 0 | 0 | 0 | 111.4 | G178 E213 P214 | N143-G178 PolarHBondContact N-O 2.98Å; N143-E213 HydrophobicContact CB-CB 4.36Å; N143-E213 VanDerWaalsContact ND2-CB 3.28Å; N143-E213 WeakPolarHBondContact ND2-CB 3.19Å; N143-E213 PolarHBondContact ND2-OE2 3.41Å; N143-P214 VanDerWaalsContact CB-O 3.31Å; N143-P214 WeakPolarHBondContact CB-O 3.29Å; N143-P214 PolarHBondContact ND2-O 3.33Å |
| 144 | L | 90.4 | Very high | 88 | Confident | 8 Ų | 8 | 46.3 Ų | 46.3 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | trans | -66.3 | 149.5 | 169.9 | -62.4 | 172.4 | 0 | 0 | 0 | 110.4 | I141 S142 M148 L153 I168 G178 L215 | I141-L144 HydrophobicContact CG2-CD1 4.33Å; I141-L144 HydrophobicContact CG2-CD2 3.68Å; I141-L144 HydrophobicContact CG2-CG 4.02Å; S142-L144 VanDerWaalsContact C-N 3.26Å; L144-M148 HydrophobicContact CB-SD 4.49Å; L144-M148 HydrophobicContact CD2-SD 3.75Å; L144-L153 HydrophobicContact CD1-CD1 4.31Å; L144-L153 HydrophobicContact CD1-CD2 4.19Å; L144-L153 HydrophobicContact CD2-CD1 4.15Å; L144-I168 HydrophobicContact CD1-CD1 4.5Å; L144-G178 PolarHBondContact N-O 2.86Å; L144-G178 WeakPolarHBondContact O-CA 3.43Å; L144-L215 HydrophobicContact CD2-CD2 3.86Å | ||
| 145 | P | 87.6 | Confident | 89.3 | Confident | 11 Ų | 11 | 45.5 Ų | 45.5 | 7% | 0.071 | 24% | 0.241 | C | C | . | . | trans | -58.1 | 147.8 | 171.7 | -20.5 | 31.5 | 0 | 0 | 0 | 112.1 | S147 M148 I202 T204 P211 | P145-S147 PolarHBondContact O-N 2.97Å; P145-M148 HydrophobicContact CB-CB 4.14Å; P145-M148 HydrophobicContact CG-CB 4.27Å; P145-M148 WeakPolarHBondContact O-CB 3.44Å; P145-M148 PolarHBondContact O-N 2.98Å; P145-I202 HydrophobicContact CG-CG2 3.64Å; P145-T204 HydrophobicContact CB-CG2 4.22Å; P145-T204 HydrophobicContact CG-CG2 3.87Å; P145-P211 HydrophobicContact CB-CG 4.48Å; P145-P211 HydrophobicContact CG-CG 3.94Å | ||
| 146 | V | 86.4 | Confident | 90.4 | Very high | 92 Ų | 92 | 45.8 Ų | 45.8 | 56% | 0.558 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -22.3 | 179.5 | -179.8 | 0 | 0 | 0 | 0 | 112.4 | T175 S176 | V146-T175 HydrophobicContact CG1-CG2 3.75Å; V146-S176 WeakPolarHBondContact O-CB 3.49Å |
| 147 | S | 85.8 | Confident | 91 | Very high | 47 Ų | 47 | 41.7 Ų | 41.7 | 33% | 0.329 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -13.4 | 171.9 | 54.7 | 0 | 0 | 0 | 0 | 114.5 | P145 D149 M208 | P145-S147 PolarHBondContact O-N 2.97Å; S147-D149 PolarHBondContact O-N 3.34Å; S147-M208 PolarHBondContact OG-SD 2.8Å |
| 148 | M | 87.3 | Confident | 91.2 | Very high | 8 Ų | 8 | 45.3 Ų | 45.3 | 4% | 0.039 | 23% | 0.23 | C | C | . | . | trans | -75.3 | 129.2 | -169.5 | -164.9 | 171.4 | -164.9 | 0 | 0 | 110.5 | L144 P145 E152 M156 I168 I202 | L144-M148 HydrophobicContact CB-SD 4.49Å; L144-M148 HydrophobicContact CD2-SD 3.75Å; P145-M148 HydrophobicContact CB-CB 4.14Å; P145-M148 HydrophobicContact CG-CB 4.27Å; P145-M148 WeakPolarHBondContact O-CB 3.44Å; P145-M148 PolarHBondContact O-N 2.98Å; M148-E152 WeakPolarHBondContact CA-OE2 3.15Å; M148-E152 HydrophobicContact CE-CB 3.8Å; M148-E152 HydrophobicContact CG-CB 3.92Å; M148-E152 WeakPolarHBondContact CG-OE2 3.33Å; M148-M156 HydrophobicContact CE-CB 4.4Å; M148-M156 HydrophobicContact CE-SD 4.22Å; M148-I168 WeakPolarHBondContact O-CD1 3.02Å; M148-I202 HydrophobicContact CE-CD1 3.57Å; M148-I202 HydrophobicContact SD-CD1 3.52Å; M148-I202 VanDerWaalsContact SD-CD1 3.52Å | ||
| 149 | D | 91.8 | Very high | 91.1 | Very high | 75 Ų | 75 | 48.6 Ų | 48.6 | 40% | 0.401 | 26% | 0.255 | S | S | . | . | trans | -108.9 | 164.4 | -176.4 | -78.3 | -23.4 | 0 | 0 | 0 | 112.4 | S147 Q151 E152 L153 I168 R170 | S147-D149 PolarHBondContact O-N 3.34Å; D149-Q151 PolarHBondContact O-N 3.24Å; D149-Q151 VanDerWaalsContact O-N 3.12Å; D149-E152 PolarHBondContact O-N 2.84Å; D149-L153 PolarHBondContact O-N 3.27Å; D149-L153 VanDerWaalsContact O-N 3.07Å; D149-I168 VanDerWaalsContact C-CD1 3.49Å; D149-R170 IonicContact OD1-CZ 3.29Å; D149-R170 VanDerWaalsContact OD1-CZ 3.29Å; D149-R170 IonicContact OD1-NH1 2.96Å; D149-R170 PolarHBondContact OD1-NH1 2.99Å; D149-R170 IonicContact OD1-NH2 2.68Å; D149-R170 PolarHBondContact OD1-NH2 3.38Å | ||
| 150 | E | 93.6 | Very high | 90.9 | Very high | 55 Ų | 55 | 51 Ų | 51 | 26% | 0.257 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -51.9 | -36.2 | -176.5 | -82.1 | 81.6 | 174.7 | 0 | 0 | 114.2 | E154 T166 I168 R170 | E150-E154 WeakPolarHBondContact O-CB 3.48Å; E150-E154 PolarHBondContact O-N 3.19Å; E150-T166 PolarHBondContact O-OG1 2.76Å; E150-I168 HydrophobicContact CG-CG1 4.33Å; E150-I168 WeakPolarHBondContact OE1-CB 3.31Å; E150-I168 PolarHBondContact OE1-N 3.06Å; E150-R170 IonicContact OE2-CZ 2.9Å; E150-R170 IonicContact OE2-NE 2.87Å; E150-R170 IonicContact OE2-NH2 2.64Å; E150-R170 PolarHBondContact OE2-NH2 3.25Å |
| 151 | Q | 92.9 | Very high | 90.7 | Very high | 146 Ų | 146 | 48.9 Ų | 48.9 | 68% | 0.682 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -72.4 | -38.4 | 178.4 | -65 | -172.7 | 25.5 | 0 | 0 | 112.8 | D149 L153 E154 N155 | D149-Q151 PolarHBondContact O-N 3.24Å; D149-Q151 VanDerWaalsContact O-N 3.12Å; Q151-L153 VanDerWaalsContact C-N 3.32Å; Q151-E154 PolarHBondContact O-N 3.25Å; Q151-N155 WeakPolarHBondContact O-CB 2.88Å; Q151-N155 PolarHBondContact O-N 3.15Å; Q151-N155 PolarHBondContact O-ND2 3.31Å |
| 152 | E | 91.2 | Very high | 90.7 | Very high | 95 Ų | 95 | 55.4 Ų | 55.4 | 44% | 0.444 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 176.1 | -61.4 | -167.6 | 136.3 | 0 | 0 | 110.3 | M148 D149 N155 M156 | M148-E152 WeakPolarHBondContact CA-OE2 3.15Å; M148-E152 HydrophobicContact CE-CB 3.8Å; M148-E152 HydrophobicContact CG-CB 3.92Å; M148-E152 WeakPolarHBondContact CG-OE2 3.33Å; D149-E152 PolarHBondContact O-N 2.84Å; E152-N155 PolarHBondContact O-N 2.65Å; E152-M156 WeakPolarHBondContact O-CB 3.15Å; E152-M156 PolarHBondContact O-N 3.34Å |
| 153 | L | 92.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63 | -42.2 | 174.7 | -177.3 | 58.7 | 0 | 0 | 0 | 111.3 | I141 L144 D149 Q151 M156 L157 T166 I168 | I141-L153 HydrophobicContact CD1-CD1 3.95Å; L144-L153 HydrophobicContact CD1-CD1 4.31Å; L144-L153 HydrophobicContact CD1-CD2 4.19Å; L144-L153 HydrophobicContact CD2-CD1 4.15Å; D149-L153 PolarHBondContact O-N 3.27Å; D149-L153 VanDerWaalsContact O-N 3.07Å; Q151-L153 VanDerWaalsContact C-N 3.32Å; L153-M156 HydrophobicContact CD1-CE 3.97Å; L153-M156 PolarHBondContact O-N 3.25Å; L153-L157 HydrophobicContact CD1-CD1 4.2Å; L153-L157 HydrophobicContact CG-CD1 4.35Å; L153-L157 VanDerWaalsContact O-CG 3.26Å; L153-L157 WeakPolarHBondContact O-CG 3.49Å; L153-L157 PolarHBondContact O-N 2.84Å; L153-T166 HydrophobicContact CD2-CG2 4.46Å; L153-T166 HydrophobicContact CG-CG2 4.18Å; L153-I168 HydrophobicContact CD2-CD1 4.3Å; L153-I168 HydrophobicContact CD2-CG1 4.01Å |
| 154 | E | 93.6 | Very high | 90.9 | Very high | 60 Ų | 60 | 58.5 Ų | 58.5 | 28% | 0.28 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 176.1 | -161.6 | -167.7 | 133.7 | 0 | 0 | 111.1 | E150 Q151 M156 L157 K158 V163 T166 | E150-E154 WeakPolarHBondContact O-CB 3.48Å; E150-E154 PolarHBondContact O-N 3.19Å; Q151-E154 PolarHBondContact O-N 3.25Å; E154-M156 PolarHBondContact O-N 2.79Å; E154-L157 PolarHBondContact O-N 2.89Å; E154-L157 VanDerWaalsContact O-N 3.17Å; E154-K158 VanDerWaalsContact O-CG 3.31Å; E154-K158 WeakPolarHBondContact O-CG 3.37Å; E154-K158 PolarHBondContact O-N 2.87Å; E154-K158 WeakPolarHBondContact OE1-CE 3.49Å; E154-K158 IonicContact OE1-NZ 3.71Å; E154-K158 PolarHBondContact OE1-NZ 2.88Å; E154-V163 HydrophobicContact CG-CB 4Å; E154-V163 HydrophobicContact CG-CG1 4.03Å; E154-V163 HydrophobicContact CG-CG2 4.27Å; E154-T166 HydrophobicContact CB-CG2 3.78Å; E154-T166 HydrophobicContact CG-CG2 4.13Å |
| 155 | N | 92.2 | Very high | 90.9 | Very high | 91 Ų | 91 | 61 Ų | 61 | 49% | 0.487 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.2 | -33.2 | 179.2 | -68.2 | -18.5 | 0 | 0 | 0 | 113.1 | Q151 E152 L157 K158 | Q151-N155 WeakPolarHBondContact O-CB 2.88Å; Q151-N155 PolarHBondContact O-N 3.15Å; Q151-N155 PolarHBondContact O-ND2 3.31Å; E152-N155 PolarHBondContact O-N 2.65Å; N155-L157 VanDerWaalsContact C-N 3.3Å; N155-L157 PolarHBondContact O-N 2.9Å; N155-K158 PolarHBondContact OD1-NZ 2.86Å |
| 156 | M | 89.3 | Confident | 91.3 | Very high | 27 Ų | 27 | 61.7 Ų | 61.7 | 13% | 0.133 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.1 | -32 | 172.2 | -171.9 | -177.9 | 78.5 | 0 | 0 | 112.7 | M148 E152 L153 E154 F197 I202 L215 | M148-M156 HydrophobicContact CE-CB 4.4Å; M148-M156 HydrophobicContact CE-SD 4.22Å; E152-M156 WeakPolarHBondContact O-CB 3.15Å; E152-M156 PolarHBondContact O-N 3.34Å; L153-M156 HydrophobicContact CD1-CE 3.97Å; L153-M156 PolarHBondContact O-N 3.25Å; E154-M156 PolarHBondContact O-N 2.79Å; M156-F197 HydrophobicContact CE-CD1 4.32Å; M156-F197 HydrophobicContact CE-CE1 4.3Å; M156-F197 HydrophobicContact CE-CZ 4.47Å; M156-F197 HydrophobicContact CG-CE1 3.63Å; M156-F197 HydrophobicContact CG-CE2 4.35Å; M156-F197 HydrophobicContact CG-CZ 3.52Å; M156-F197 WeakPolarHBondContact O-CZ 2.91Å; M156-F197 HydrophobicContact SD-CD1 4.16Å; M156-F197 HydrophobicContact SD-CE1 3.76Å; M156-F197 HydrophobicContact SD-CZ 4.2Å; M156-I202 HydrophobicContact SD-CD1 3.77Å; M156-I202 HydrophobicContact SD-CG1 4.38Å; M156-L215 HydrophobicContact CE-CD1 4.37Å; M156-L215 HydrophobicContact SD-CD1 4.36Å |
| 157 | L | 91.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -93.5 | -28.4 | -175.3 | -62 | 177.9 | 0 | 0 | 0 | 113.5 | I141 L153 E154 N155 S159 F160 V163 A182 M184 I193 F197 | I141-L157 HydrophobicContact CD1-CD1 3.84Å; I141-L157 HydrophobicContact CD1-CD2 4.15Å; L153-L157 HydrophobicContact CD1-CD1 4.2Å; L153-L157 HydrophobicContact CG-CD1 4.35Å; L153-L157 VanDerWaalsContact O-CG 3.26Å; L153-L157 WeakPolarHBondContact O-CG 3.49Å; L153-L157 PolarHBondContact O-N 2.84Å; E154-L157 PolarHBondContact O-N 2.89Å; E154-L157 VanDerWaalsContact O-N 3.17Å; N155-L157 VanDerWaalsContact C-N 3.3Å; N155-L157 PolarHBondContact O-N 2.9Å; L157-S159 PolarHBondContact O-N 3Å; L157-F160 PolarHBondContact O-N 3.34Å; L157-V163 HydrophobicContact CB-CG2 3.76Å; L157-A182 HydrophobicContact CD1-CB 3.31Å; L157-M184 HydrophobicContact CB-SD 4.35Å; L157-I193 HydrophobicContact CB-CD1 4.42Å; L157-I193 HydrophobicContact CD2-CD1 4.04Å; L157-I193 HydrophobicContact CD2-CG1 4.18Å; L157-I193 HydrophobicContact CD2-CG2 3.57Å; L157-F197 HydrophobicContact CD2-CE2 4.35Å |
| 158 | K | 92.2 | Very high | 92.1 | Very high | 96 Ų | 96 | 63.7 Ų | 63.7 | 42% | 0.417 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -51.5 | -28.1 | 175.6 | -86.7 | 170.5 | -177.2 | 151.7 | 0 | 114.3 | E154 N155 F160 G161 V163 | E154-K158 VanDerWaalsContact O-CG 3.31Å; E154-K158 WeakPolarHBondContact O-CG 3.37Å; E154-K158 PolarHBondContact O-N 2.87Å; E154-K158 WeakPolarHBondContact OE1-CE 3.49Å; E154-K158 IonicContact OE1-NZ 3.71Å; E154-K158 PolarHBondContact OE1-NZ 2.88Å; N155-K158 PolarHBondContact OD1-NZ 2.86Å; K158-F160 PolarHBondContact O-N 3.49Å; K158-F160 VanDerWaalsContact O-N 3.16Å; K158-G161 PolarHBondContact O-N 2.9Å; K158-V163 HydrophobicContact CG-CG2 4.12Å |
| 159 | S | 90.3 | Very high | 92.3 | Very high | 102 Ų | 102 | 66.1 Ų | 66.1 | 71% | 0.713 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -17.6 | 177 | -51.9 | 0 | 0 | 0 | 0 | 114.2 | L157 | L157-S159 PolarHBondContact O-N 3Š|
| 160 | F | 89.9 | Confident | 92.4 | Very high | 50 Ų | 50 | 67.1 Ų | 67.1 | 22% | 0.219 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -31.7 | -177.4 | -68.6 | -94.9 | 0 | 0 | 0 | 112.5 | L157 K158 K189 A192 I193 H196 F197 | L157-F160 PolarHBondContact O-N 3.34Å; K158-F160 PolarHBondContact O-N 3.49Å; K158-F160 VanDerWaalsContact O-N 3.16Å; F160-K189 WeakPolarHBondContact O-CD 3.17Å; F160-K189 WeakPolarHBondContact O-CE 3.3Å; F160-K189 PolarHBondContact O-NZ 3.12Å; F160-A192 HydrophobicContact CD1-CB 4.18Å; F160-I193 HydrophobicContact CB-CD1 3.95Å; F160-I193 HydrophobicContact CB-CG1 3.64Å; F160-I193 HydrophobicContact CD1-CG1 4.15Å; F160-I193 HydrophobicContact CD2-CG1 4Å; F160-I193 HydrophobicContact CG-CD1 4.44Å; F160-I193 HydrophobicContact CG-CG1 3.62Å; F160-H196 HydrophobicContact CE1-CB 3.65Å; F160-H196 AromaticContact CE1-CG 3.82Å; F160-H196 HydrophobicContact CZ-CB 3.68Å; F160-H196 AromaticContact CZ-CG 3.38Å; F160-H196 AromaticContact CZ-ND1 3.41Å; F160-H196 WeakPolarHBondContact CZ-ND1 3.44Å; F160-F197 AromaticContact CD2-CE2 3.88Å; F160-F197 HydrophobicContact CD2-CE2 3.88Å; F160-F197 HydrophobicContact CE2-CD2 4.3Å; F160-F197 AromaticContact CE2-CE2 3.32Å; F160-F197 HydrophobicContact CE2-CE2 3.32Å; F160-F197 AromaticContact CE2-CZ 3.81Å; F160-F197 HydrophobicContact CE2-CZ 3.81Å; F160-F197 AromaticContact CZ-CE2 3.94Å; F160-F197 HydrophobicContact CZ-CE2 3.94Å; F160-F197 HydrophobicContact CZ-CZ 4.48Å |
| 161 | G | 90 | Very high | 92.3 | Very high | 13 Ų | 13 | 68.3 Ų | 68.3 | 13% | 0.134 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 173.4 | 179.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K158 V163 E185 | K158-G161 PolarHBondContact O-N 2.9Å; G161-V163 PolarHBondContact O-N 3.39Å; G161-E185 WeakPolarHBondContact CA-OE1 3.31Å |
| 162 | Q | 93.6 | Very high | 92.3 | Very high | 138 Ų | 138 | 66 Ų | 66 | 65% | 0.645 | 35% | 0.345 | S | S | * | . | trans | -67.7 | 124.2 | 177.7 | -174.5 | 173.8 | 6.7 | 0 | 0 | 111.2 | M184 E185 | Q162-M184 WeakPolarHBondContact O-CE 3.49Å; Q162-E185 HydrophobicContact CB-CB 4.22Å; Q162-E185 HydrophobicContact CB-CG 4.44Å; Q162-E185 VanDerWaalsContact N-CD 3.27Å; Q162-E185 PolarHBondContact N-OE1 2.88Å; Q162-E185 PolarHBondContact O-N 3.41Å | ||
| 163 | V | 94.4 | Very high | 92.2 | Very high | 17 Ų | 17 | 68 Ų | 68 | 10% | 0.103 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 127 | 171.1 | -169.9 | 0 | 0 | 0 | 0 | 108.2 | E154 L157 K158 G161 T166 M184 | E154-V163 HydrophobicContact CG-CB 4Å; E154-V163 HydrophobicContact CG-CG1 4.03Å; E154-V163 HydrophobicContact CG-CG2 4.27Å; L157-V163 HydrophobicContact CB-CG2 3.76Å; K158-V163 HydrophobicContact CG-CG2 4.12Å; G161-V163 PolarHBondContact O-N 3.39Å; V163-T166 HydrophobicContact CG1-CG2 3.78Å; V163-M184 HydrophobicContact CB-SD 4.42Å; V163-M184 HydrophobicContact CG1-SD 4.36Å; V163-M184 HydrophobicContact CG2-CE 3.9Å; V163-M184 HydrophobicContact CG2-SD 3.98Å |
| 164 | I | 92.3 | Very high | 92 | Very high | 97 Ų | 97 | 70 Ų | 70 | 50% | 0.497 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -39.3 | 177 | -59.2 | -178.7 | 0 | 0 | 0 | 110.5 | R183 M184 | I164-R183 HydrophobicContact CB-CB 4.23Å; I164-R183 HydrophobicContact CB-CG 4.21Å; I164-R183 WeakPolarHBondContact CB-O 3.44Å; I164-R183 HydrophobicContact CD1-CG 4.26Å; I164-R183 PolarHBondContact N-O 3.02Å; I164-M184 VanDerWaalsContact CD1-O 3.24Å; I164-M184 WeakPolarHBondContact CD1-O 3.23Å |
| 165 | S | 91.8 | Very high | 91.8 | Very high | 60 Ų | 60 | 70.7 Ų | 70.7 | 42% | 0.42 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 153.7 | 174.3 | 56.3 | 0 | 0 | 0 | 0 | 112.1 | A182 R183 | S165-A182 CarbonylContact O-C 3.51Å; S165-A182 VanDerWaalsContact O-CA 3.29Å; S165-A182 WeakPolarHBondContact O-CA 3.49Å; S165-R183 PolarHBondContact N-O 2.69Å; S165-R183 PolarHBondContact O-N 3.42Å |
| 166 | T | 94.6 | Very high | 91.8 | Very high | 26 Ų | 26 | 66.8 Ų | 66.8 | 16% | 0.16 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 157.5 | 165.9 | 58.7 | 0 | 0 | 0 | 0 | 110.4 | E150 L153 E154 V163 F181 A182 | E150-T166 PolarHBondContact O-OG1 2.76Å; L153-T166 HydrophobicContact CD2-CG2 4.46Å; L153-T166 HydrophobicContact CG-CG2 4.18Å; E154-T166 HydrophobicContact CB-CG2 3.78Å; E154-T166 HydrophobicContact CG-CG2 4.13Å; V163-T166 HydrophobicContact CG1-CG2 3.78Å; T166-F181 CarbonylContact C-O 3.52Å; T166-F181 WeakPolarHBondContact CA-O 3.43Å; T166-A182 HydrophobicContact CG2-CB 4.13Å |
| 167 | R | 93.9 | Very high | 91.8 | Very high | 175 Ų | 175 | 73 Ų | 73 | 66% | 0.66 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 132.3 | 172.5 | -179.4 | 178 | -178.4 | 163.5 | 5.9 | 110.7 | G180 F181 | R167-G180 CarbonylContact O-C 3.48Å; R167-G180 VanDerWaalsContact O-CA 3.3Å; R167-G180 WeakPolarHBondContact O-CA 3.24Å; R167-F181 PolarHBondContact N-O 3.03Å; R167-F181 PolarHBondContact O-N 3.12Å |
| 168 | I | 94.4 | Very high | 91.8 | Very high | 6 Ų | 6 | 73.3 Ų | 73.3 | 3% | 0.031 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 141.1 | 174.3 | -65.4 | -177.4 | 0 | 0 | 0 | 110.2 | L144 M148 D149 E150 L153 R170 S176 | L144-I168 HydrophobicContact CD1-CD1 4.5Å; M148-I168 WeakPolarHBondContact O-CD1 3.02Å; D149-I168 VanDerWaalsContact C-CD1 3.49Å; E150-I168 HydrophobicContact CG-CG1 4.33Å; E150-I168 WeakPolarHBondContact OE1-CB 3.31Å; E150-I168 PolarHBondContact OE1-N 3.06Å; L153-I168 HydrophobicContact CD2-CD1 4.3Å; L153-I168 HydrophobicContact CD2-CG1 4.01Å; I168-R170 HydrophobicContact CG2-CG 4.45Å; I168-R170 PolarHBondContact O-N 2.89Å; I168-S176 WeakPolarHBondContact CG2-OG 3.48Å |
| 169 | L | 93.3 | Very high | 91.8 | Very high | 59 Ų | 59 | 69.7 Ų | 69.7 | 31% | 0.309 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 104.6 | 174.4 | -96.3 | 59.3 | 0 | 0 | 0 | 108.4 | R177 V179 F181 | L169-R177 WeakPolarHBondContact O-CB 3.45Å; L169-R177 VanDerWaalsContact O-CG 3.32Å; L169-R177 WeakPolarHBondContact O-CG 3.45Å; L169-R177 PolarHBondContact O-N 3.15Å; L169-V179 HydrophobicContact CB-CB 4.26Å; L169-V179 HydrophobicContact CB-CG1 4.42Å; L169-V179 HydrophobicContact CD2-CG1 4.15Å; L169-V179 PolarHBondContact N-O 2.76Å; L169-F181 HydrophobicContact CD1-CD2 3.61Å; L169-F181 HydrophobicContact CD1-CE2 3.56Å; L169-F181 HydrophobicContact CD2-CE2 4Å; L169-F181 HydrophobicContact CG-CE2 4.44Å |
| 170 | R | 93.6 | Very high | 92 | Very high | 97 Ų | 97 | 64.9 Ų | 64.9 | 37% | 0.366 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 152 | 170 | -61.2 | 174.9 | -162.1 | -97.1 | -2.6 | 109.5 | D149 E150 I168 G174 T175 | D149-R170 IonicContact OD1-CZ 3.29Å; D149-R170 VanDerWaalsContact OD1-CZ 3.29Å; D149-R170 IonicContact OD1-NH1 2.96Å; D149-R170 PolarHBondContact OD1-NH1 2.99Å; D149-R170 IonicContact OD1-NH2 2.68Å; D149-R170 PolarHBondContact OD1-NH2 3.38Å; E150-R170 IonicContact OE2-CZ 2.9Å; E150-R170 IonicContact OE2-NE 2.87Å; E150-R170 IonicContact OE2-NH2 2.64Å; E150-R170 PolarHBondContact OE2-NH2 3.25Å; I168-R170 HydrophobicContact CG2-CG 4.45Å; I168-R170 PolarHBondContact O-N 2.89Å; R170-G174 WeakPolarHBondContact CB-O 3.45Å; R170-G174 WeakPolarHBondContact CD-O 3.19Å; R170-G174 WeakPolarHBondContact CG-O 3.19Å; R170-T175 CarbonylContact C-O 3.51Å; R170-T175 VanDerWaalsContact CA-O 3.24Å; R170-T175 WeakPolarHBondContact CA-O 3.2Å |
| 171 | D | 91.9 | Very high | 92.2 | Very high | 79 Ų | 79 | 65.5 Ų | 65.5 | 42% | 0.422 | 35% | 0.348 | S | S | . | . | trans | -82.5 | 178.2 | 175.1 | -165.1 | 46.2 | 0 | 0 | 0 | 111.6 | N173 G174 T175 R177 | D171-N173 PolarHBondContact O-N 2.76Å; D171-N173 VanDerWaalsContact O-N 3.12Å; D171-G174 PolarHBondContact O-N 3.44Å; D171-T175 PolarHBondContact N-O 2.84Å; D171-R177 HydrophobicContact CB-CG 4.06Å | ||
| 172 | A | 92.1 | Very high | 92.4 | Very high | 97 Ų | 97 | 64.9 Ų | 64.9 | 80% | 0.802 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -29.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G174 | A172-G174 VanDerWaalsContact C-N 3.29Å; A172-G174 PolarHBondContact O-N 3.27Å |
| 173 | N | 89.6 | Confident | 92.4 | Very high | 138 Ų | 138 | 61.7 Ų | 61.7 | 74% | 0.738 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | 7.4 | 177.2 | -57.4 | -30.5 | 0 | 0 | 0 | 113.8 | D171 T175 | D171-N173 PolarHBondContact O-N 2.76Å; D171-N173 VanDerWaalsContact O-N 3.12Å; N173-T175 PolarHBondContact O-N 3.46Å |
| 174 | G | 86.8 | Confident | 92.4 | Very high | 42 Ų | 42 | 60.9 Ų | 60.9 | 43% | 0.433 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 78.2 | -13.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | R170 D171 A172 | R170-G174 WeakPolarHBondContact CB-O 3.45Å; R170-G174 WeakPolarHBondContact CD-O 3.19Å; R170-G174 WeakPolarHBondContact CG-O 3.19Å; D171-G174 PolarHBondContact O-N 3.44Å; A172-G174 VanDerWaalsContact C-N 3.29Å; A172-G174 PolarHBondContact O-N 3.27Å |
| 175 | T | 89.6 | Confident | 92.4 | Very high | 75 Ų | 75 | 60.4 Ų | 60.4 | 46% | 0.46 | 31% | 0.314 | S | S | . | . | trans | -61 | 133.6 | 176.6 | -40.9 | 0 | 0 | 0 | 0 | 111.8 | V146 R170 D171 N173 | V146-T175 HydrophobicContact CG1-CG2 3.75Å; R170-T175 CarbonylContact C-O 3.51Å; R170-T175 VanDerWaalsContact CA-O 3.24Å; R170-T175 WeakPolarHBondContact CA-O 3.2Å; D171-T175 PolarHBondContact N-O 2.84Å; N173-T175 PolarHBondContact O-N 3.46Å | ||
| 176 | S | 91.6 | Very high | 92.3 | Very high | 9 Ų | 9 | 59.1 Ų | 59.1 | 6% | 0.063 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 138.7 | 172.9 | -180 | 0 | 0 | 0 | 0 | 111.1 | V146 I168 G178 | V146-S176 WeakPolarHBondContact O-CB 3.49Å; I168-S176 WeakPolarHBondContact CG2-OG 3.48Å; S176-G178 VanDerWaalsContact C-N 3.31Å; S176-G178 PolarHBondContact OG-N 3.27Å |
| 177 | R | 90.9 | Very high | 92.2 | Very high | 158 Ų | 158 | 60.3 Ų | 60.3 | 60% | 0.596 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 11.2 | 176.1 | -59.8 | 177.2 | 52.4 | 154 | 3.5 | 113.1 | L169 D171 V179 | L169-R177 WeakPolarHBondContact O-CB 3.45Å; L169-R177 VanDerWaalsContact O-CG 3.32Å; L169-R177 WeakPolarHBondContact O-CG 3.45Å; L169-R177 PolarHBondContact O-N 3.15Å; D171-R177 HydrophobicContact CB-CG 4.06Å; R177-V179 PolarHBondContact O-N 3.05Å |
| 178 | G | 90.4 | Very high | 92.1 | Very high | 6 Ų | 6 | 58.6 Ų | 58.6 | 6% | 0.062 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 64.3 | 23.4 | -175 | 0 | 0 | 0 | 0 | 0 | 113.8 | S142 N143 L144 S176 | S142-G178 CarbonylContact C-O 3.43Å; S142-G178 WeakPolarHBondContact CA-O 3.07Å; N143-G178 PolarHBondContact N-O 2.98Å; L144-G178 PolarHBondContact N-O 2.86Å; L144-G178 WeakPolarHBondContact O-CA 3.43Å; S176-G178 VanDerWaalsContact C-N 3.31Å; S176-G178 PolarHBondContact OG-N 3.27Å |
| 179 | V | 93.3 | Very high | 92.1 | Very high | 20 Ų | 20 | 61.6 Ų | 61.6 | 12% | 0.121 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 127.2 | -177.8 | 175.1 | 0 | 0 | 0 | 0 | 109.4 | Y140 I141 L169 R177 F181 | Y140-V179 HydrophobicContact CD2-CG1 4.25Å; Y140-V179 HydrophobicContact CE2-CG1 3.54Å; I141-V179 CarbonylContact O-C 3.58Å; I141-V179 WeakPolarHBondContact O-CA 3.21Å; L169-V179 HydrophobicContact CB-CB 4.26Å; L169-V179 HydrophobicContact CB-CG1 4.42Å; L169-V179 HydrophobicContact CD2-CG1 4.15Å; L169-V179 PolarHBondContact N-O 2.76Å; R177-V179 PolarHBondContact O-N 3.05Å; V179-F181 HydrophobicContact CG1-CE2 4.4Å |
| 180 | G | 93.8 | Very high | 92 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 158.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I141 R167 | I141-G180 PolarHBondContact N-O 3.03Å; I141-G180 PolarHBondContact O-N 3.37Å; I141-G180 VanDerWaalsContact O-O 3.12Å; R167-G180 CarbonylContact O-C 3.48Å; R167-G180 VanDerWaalsContact O-CA 3.3Å; R167-G180 WeakPolarHBondContact O-CA 3.24Å |
| 181 | F | 94.6 | Very high | 92 | Very high | 63 Ų | 63 | 59.4 Ų | 59.4 | 28% | 0.276 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 145.9 | 166.3 | -68.9 | -93.6 | 0 | 0 | 0 | 109 | L139 Y140 T166 R167 L169 V179 A220 | L139-F181 VanDerWaalsContact O-CA 3.24Å; L139-F181 WeakPolarHBondContact O-CA 3.46Å; Y140-F181 AromaticContact CD2-CE1 3.84Å; Y140-F181 HydrophobicContact CD2-CE1 3.84Å; Y140-F181 HydrophobicContact CD2-CE2 4.39Å; Y140-F181 AromaticContact CD2-CZ 3.73Å; Y140-F181 HydrophobicContact CD2-CZ 3.73Å; Y140-F181 HydrophobicContact CE2-CZ 4.33Å; T166-F181 CarbonylContact C-O 3.52Å; T166-F181 WeakPolarHBondContact CA-O 3.43Å; R167-F181 PolarHBondContact N-O 3.03Å; R167-F181 PolarHBondContact O-N 3.12Å; L169-F181 HydrophobicContact CD1-CD2 3.61Å; L169-F181 HydrophobicContact CD1-CE2 3.56Å; L169-F181 HydrophobicContact CD2-CE2 4Å; L169-F181 HydrophobicContact CG-CE2 4.44Å; V179-F181 HydrophobicContact CG1-CE2 4.4Å; F181-A220 HydrophobicContact CD1-CB 3.97Å; F181-A220 HydrophobicContact CE1-CB 3.99Å |
| 182 | A | 94.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.008 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 130 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L139 I141 L157 S165 T166 | L139-A182 WeakPolarHBondContact CB-O 3.48Å; L139-A182 PolarHBondContact N-O 2.99Å; L139-A182 PolarHBondContact O-N 3.48Å; L139-A182 VanDerWaalsContact O-N 3.13Å; I141-A182 HydrophobicContact CD1-CB 4.45Å; L157-A182 HydrophobicContact CD1-CB 3.31Å; S165-A182 CarbonylContact O-C 3.51Å; S165-A182 VanDerWaalsContact O-CA 3.29Å; S165-A182 WeakPolarHBondContact O-CA 3.49Å; T166-A182 HydrophobicContact CG2-CB 4.13Å |
| 183 | R | 92.9 | Very high | 92.2 | Very high | 71 Ų | 71 | 52.8 Ų | 52.8 | 27% | 0.268 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 126.1 | 174.5 | -169.9 | -168.8 | -73.3 | -171.5 | -5.9 | 109 | E133 D135 T137 I164 S165 | E133-R183 IonicContact OE2-NH1 2.78Å; D135-R183 HydrophobicContact CB-CG 4.28Å; D135-R183 IonicContact OD1-CZ 3.89Å; D135-R183 IonicContact OD1-NE 2.73Å; D135-R183 IonicContact OD1-NH1 3.85Å; D135-R183 IonicContact OD1-NH2 3.56Å; D135-R183 PolarHBondContact OD1-NH2 2.66Å; D135-R183 IonicContact OD2-CZ 3.91Å; D135-R183 IonicContact OD2-NE 2.69Å; D135-R183 PolarHBondContact OD2-NE 3.04Å; D135-R183 IonicContact OD2-NH2 3.18Å; D135-R183 PolarHBondContact OD2-NH2 3.3Å; T137-R183 WeakPolarHBondContact O-CA 3.47Å; T137-R183 WeakPolarHBondContact OG1-CG 3.35Å; I164-R183 HydrophobicContact CB-CB 4.23Å; I164-R183 HydrophobicContact CB-CG 4.21Å; I164-R183 WeakPolarHBondContact CB-O 3.44Å; I164-R183 HydrophobicContact CD1-CG 4.26Å; I164-R183 PolarHBondContact N-O 3.02Å; S165-R183 PolarHBondContact N-O 2.69Å; S165-R183 PolarHBondContact O-N 3.42Å |
| 184 | M | 94.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 168 | 178 | -57.3 | -56.1 | -57.6 | 0 | 0 | 112.1 | T137 L139 L157 Q162 V163 I164 K189 I193 | T137-M184 WeakPolarHBondContact CB-O 3.34Å; T137-M184 PolarHBondContact O-N 2.75Å; T137-M184 PolarHBondContact OG1-O 2.84Å; L139-M184 HydrophobicContact CD1-CG 3.89Å; L139-M184 HydrophobicContact CD1-SD 4.45Å; L157-M184 HydrophobicContact CB-SD 4.35Å; Q162-M184 WeakPolarHBondContact O-CE 3.49Å; V163-M184 HydrophobicContact CB-SD 4.42Å; V163-M184 HydrophobicContact CG1-SD 4.36Å; V163-M184 HydrophobicContact CG2-CE 3.9Å; V163-M184 HydrophobicContact CG2-SD 3.98Å; I164-M184 VanDerWaalsContact CD1-O 3.24Å; I164-M184 WeakPolarHBondContact CD1-O 3.23Å; M184-K189 HydrophobicContact CB-CB 4.28Å; M184-K189 HydrophobicContact CE-CB 4.47Å; M184-I193 HydrophobicContact CE-CD1 3.56Å; M184-I193 HydrophobicContact CG-CD1 3.84Å; M184-I193 HydrophobicContact SD-CD1 3.58Å; M184-I193 VanDerWaalsContact SD-CD1 3.58Å |
| 185 | E | 92.1 | Very high | 92.6 | Very high | 87 Ų | 87 | 54 Ų | 54 | 41% | 0.407 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -62.4 | -34.2 | 172.8 | 65.9 | -169.9 | 150.4 | 0 | 0 | 115 | G161 Q162 K189 | G161-E185 WeakPolarHBondContact CA-OE1 3.31Å; Q162-E185 HydrophobicContact CB-CB 4.22Å; Q162-E185 HydrophobicContact CB-CG 4.44Å; Q162-E185 VanDerWaalsContact N-CD 3.27Å; Q162-E185 PolarHBondContact N-OE1 2.88Å; Q162-E185 PolarHBondContact O-N 3.41Å; E185-K189 HydrophobicContact CG-CG 3.83Å; E185-K189 WeakPolarHBondContact OE1-CE 3.45Å; E185-K189 IonicContact OE1-NZ 3.92Å |
| 186 | S | 90.6 | Very high | 92.6 | Very high | 32 Ų | 32 | 54.1 Ų | 54.1 | 22% | 0.224 | 26% | 0.259 | C | S | . | . | trans | -148.3 | 153.2 | -173.6 | 166.9 | 0 | 0 | 0 | 0 | 111.4 | E188 K189 C190 | S186-E188 VanDerWaalsContact C-N 3.28Å; S186-E188 PolarHBondContact O-N 2.73Å; S186-E188 PolarHBondContact OG-N 2.78Å; S186-E188 PolarHBondContact OG-OE2 3.42Å; S186-K189 WeakPolarHBondContact O-CB 3.3Å; S186-K189 PolarHBondContact O-N 3.16Å; S186-C190 PolarHBondContact O-N 2.93Å | ||
| 187 | T | 91.3 | Very high | 92.6 | Very high | 52 Ų | 52 | 55 Ų | 55 | 32% | 0.319 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.4 | -36 | 175.6 | 45.4 | 0 | 0 | 0 | 0 | 111.9 | P136 T137 K189 C190 E191 | P136-T187 HydrophobicContact CB-CG2 3.64Å; P136-T187 HydrophobicContact CG-CG2 3.78Å; T137-T187 HydrophobicContact CG2-CG2 4.15Å; T187-K189 PolarHBondContact O-N 2.93Å; T187-C190 WeakPolarHBondContact O-CA 3.47Å; T187-C190 VanDerWaalsContact O-CB 3.25Å; T187-C190 WeakPolarHBondContact O-CB 3.45Å; T187-C190 PolarHBondContact O-N 2.93Å; T187-E191 PolarHBondContact O-N 2.84Å |
| 188 | E | 93.2 | Very high | 92.6 | Very high | 138 Ų | 138 | 51 Ų | 51 | 65% | 0.645 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -60.6 | -35.8 | 177.7 | -58.7 | 164.7 | 161.1 | 0 | 0 | 111.2 | S186 E191 A192 | S186-E188 VanDerWaalsContact C-N 3.28Å; S186-E188 PolarHBondContact O-N 2.73Å; S186-E188 PolarHBondContact OG-N 2.78Å; S186-E188 PolarHBondContact OG-OE2 3.42Å; E188-E191 PolarHBondContact O-N 3.11Å; E188-A192 PolarHBondContact O-N 2.67Å |
| 189 | K | 93.9 | Very high | 92.5 | Very high | 69 Ų | 69 | 53 Ų | 53 | 30% | 0.3 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69.5 | -38.5 | 175.2 | -56.5 | -57.7 | -163.9 | 158 | 0 | 111.3 | F160 M184 E185 S186 T187 A192 I193 | F160-K189 WeakPolarHBondContact O-CD 3.17Å; F160-K189 WeakPolarHBondContact O-CE 3.3Å; F160-K189 PolarHBondContact O-NZ 3.12Å; M184-K189 HydrophobicContact CB-CB 4.28Å; M184-K189 HydrophobicContact CE-CB 4.47Å; E185-K189 HydrophobicContact CG-CG 3.83Å; E185-K189 WeakPolarHBondContact OE1-CE 3.45Å; E185-K189 IonicContact OE1-NZ 3.92Å; S186-K189 WeakPolarHBondContact O-CB 3.3Å; S186-K189 PolarHBondContact O-N 3.16Å; T187-K189 PolarHBondContact O-N 2.93Å; K189-A192 PolarHBondContact O-N 2.87Å; K189-I193 WeakPolarHBondContact O-CB 3.21Å; K189-I193 WeakPolarHBondContact O-CD1 3.35Å; K189-I193 VanDerWaalsContact O-CG1 3.28Å; K189-I193 WeakPolarHBondContact O-CG1 3.49Å; K189-I193 PolarHBondContact O-N 3.39Å |
| 190 | C | 92.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.6 | -45.2 | 172.4 | -61.6 | 0 | 0 | 0 | 0 | 111.4 | T137 L139 S186 T187 I193 I194 F219 | T137-C190 WeakPolarHBondContact CA-SG 3.47Å; T137-C190 PolarHBondContact O-SG 3.2Å; L139-C190 HydrophobicContact CD2-CB 3.66Å; L139-C190 HydrophobicContact CG-CB 4.1Å; S186-C190 PolarHBondContact O-N 2.93Å; T187-C190 WeakPolarHBondContact O-CA 3.47Å; T187-C190 VanDerWaalsContact O-CB 3.25Å; T187-C190 WeakPolarHBondContact O-CB 3.45Å; T187-C190 PolarHBondContact O-N 2.93Å; C190-I193 PolarHBondContact O-N 3.39Å; C190-I194 WeakPolarHBondContact O-CB 3.25Å; C190-I194 WeakPolarHBondContact O-CD1 3.14Å; C190-I194 WeakPolarHBondContact O-CG1 3.47Å; C190-I194 PolarHBondContact O-N 2.81Å; C190-F219 HydrophobicContact CB-CD1 4.15Å; C190-F219 HydrophobicContact CB-CE1 3.47Å; C190-F219 VanDerWaalsContact CB-CE1 3.47Å; C190-F219 HydrophobicContact CB-CZ 3.97Å |
| 191 | E | 93 | Very high | 91.7 | Very high | 111 Ų | 111 | 62.8 Ų | 62.8 | 52% | 0.519 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 177.6 | -66.5 | -179.7 | 176.2 | 0 | 0 | 111.8 | T187 E188 I193 I194 Q195 F219 | T187-E191 PolarHBondContact O-N 2.84Å; E188-E191 PolarHBondContact O-N 3.11Å; E191-I193 PolarHBondContact O-N 3.02Å; E191-I194 PolarHBondContact O-N 3.34Å; E191-Q195 WeakPolarHBondContact O-CB 3.45Å; E191-Q195 PolarHBondContact O-N 2.77Å; E191-F219 HydrophobicContact CG-CE2 3.93Å; E191-F219 HydrophobicContact CG-CZ 3.64Å |
| 192 | A | 94.1 | Very high | 90.9 | Very high | 37 Ų | 37 | 61.4 Ų | 61.4 | 31% | 0.306 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F160 E188 K189 H196 | F160-A192 HydrophobicContact CD1-CB 4.18Å; E188-A192 PolarHBondContact O-N 2.67Å; K189-A192 PolarHBondContact O-N 2.87Å; A192-H196 WeakPolarHBondContact O-CB 3.16Å; A192-H196 PolarHBondContact O-N 2.88Å |
| 193 | I | 93.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65 | -43.4 | 175.3 | -75.5 | 161.1 | 0 | 0 | 0 | 111.3 | L139 L157 F160 M184 K189 C190 E191 H196 F197 | L139-I193 HydrophobicContact CD1-CB 4.11Å; L139-I193 HydrophobicContact CD1-CD1 4Å; L139-I193 HydrophobicContact CD1-CG2 3.6Å; L157-I193 HydrophobicContact CB-CD1 4.42Å; L157-I193 HydrophobicContact CD2-CD1 4.04Å; L157-I193 HydrophobicContact CD2-CG1 4.18Å; L157-I193 HydrophobicContact CD2-CG2 3.57Å; F160-I193 HydrophobicContact CB-CD1 3.95Å; F160-I193 HydrophobicContact CB-CG1 3.64Å; F160-I193 HydrophobicContact CD1-CG1 4.15Å; F160-I193 HydrophobicContact CD2-CG1 4Å; F160-I193 HydrophobicContact CG-CD1 4.44Å; F160-I193 HydrophobicContact CG-CG1 3.62Å; M184-I193 HydrophobicContact CE-CD1 3.56Å; M184-I193 HydrophobicContact CG-CD1 3.84Å; M184-I193 HydrophobicContact SD-CD1 3.58Å; M184-I193 VanDerWaalsContact SD-CD1 3.58Å; K189-I193 WeakPolarHBondContact O-CB 3.21Å; K189-I193 WeakPolarHBondContact O-CD1 3.35Å; K189-I193 VanDerWaalsContact O-CG1 3.28Å; K189-I193 WeakPolarHBondContact O-CG1 3.49Å; K189-I193 PolarHBondContact O-N 3.39Å; C190-I193 PolarHBondContact O-N 3.39Å; E191-I193 PolarHBondContact O-N 3.02Å; I193-H196 PolarHBondContact O-N 3.45Å; I193-F197 HydrophobicContact CG2-CD2 4.09Å; I193-F197 WeakPolarHBondContact O-CB 3.46Å; I193-F197 PolarHBondContact O-N 3.29Å |
| 194 | I | 93 | Very high | 88.2 | Confident | 32 Ų | 32 | 69.2 Ų | 69.2 | 16% | 0.164 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.8 | -53.5 | 176.6 | -71.1 | 162.8 | 0 | 0 | 0 | 109.5 | L139 C190 E191 H196 N198 C217 F219 | L139-I194 HydrophobicContact CD2-CD1 3.71Å; L139-I194 HydrophobicContact CD2-CG1 3.7Å; C190-I194 WeakPolarHBondContact O-CB 3.25Å; C190-I194 WeakPolarHBondContact O-CD1 3.14Å; C190-I194 WeakPolarHBondContact O-CG1 3.47Å; C190-I194 PolarHBondContact O-N 2.81Å; E191-I194 PolarHBondContact O-N 3.34Å; I194-H196 VanDerWaalsContact C-N 3.26Å; I194-H196 PolarHBondContact O-N 3.05Å; I194-N198 HydrophobicContact CG2-CB 4.5Å; I194-N198 WeakPolarHBondContact O-CB 3.11Å; I194-N198 PolarHBondContact O-N 3.02Å; I194-C217 HydrophobicContact CG1-CB 4.45Å; I194-F219 HydrophobicContact CD1-CD1 4.49Å; I194-F219 HydrophobicContact CD1-CD2 3.63Å; I194-F219 HydrophobicContact CD1-CE2 3.79Å; I194-F219 HydrophobicContact CD1-CG 4.03Å; I194-F219 HydrophobicContact CD1-CZ 4.31Å |
| 195 | Q | 92.8 | Very high | 86.6 | Confident | 173 Ų | 173 | 72.6 Ų | 72.6 | 81% | 0.808 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.5 | -33.9 | 179.5 | -168.7 | -178.3 | 21.5 | 0 | 0 | 112.3 | E191 | E191-Q195 WeakPolarHBondContact O-CB 3.45Å; E191-Q195 PolarHBondContact O-N 2.77Å |
| 196 | H | 90.3 | Very high | 84.7 | Confident | 78 Ų | 78 | 75.1 Ų | 75.1 | 36% | 0.361 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -80.7 | -41.1 | -179.3 | -174.3 | -93.7 | 0 | 0 | 0 | 114.1 | F160 A192 I193 I194 K200 | F160-H196 HydrophobicContact CE1-CB 3.65Å; F160-H196 AromaticContact CE1-CG 3.82Å; F160-H196 HydrophobicContact CZ-CB 3.68Å; F160-H196 AromaticContact CZ-CG 3.38Å; F160-H196 AromaticContact CZ-ND1 3.41Å; F160-H196 WeakPolarHBondContact CZ-ND1 3.44Å; A192-H196 WeakPolarHBondContact O-CB 3.16Å; A192-H196 PolarHBondContact O-N 2.88Å; I193-H196 PolarHBondContact O-N 3.45Å; I194-H196 VanDerWaalsContact C-N 3.26Å; I194-H196 PolarHBondContact O-N 3.05Å; H196-K200 PolarHBondContact CD2-NZ 3.4Å; H196-K200 PolarHBondContact NE2-NZ 3.04Å; H196-K200 WeakPolarHBondContact O-CD 3.45Å; H196-K200 WeakPolarHBondContact O-CE 3.35Å; H196-K200 PolarHBondContact O-NZ 2.9Å |
| 197 | F | 90.5 | Very high | 83.1 | Confident | 27 Ų | 27 | 77.9 Ų | 77.9 | 12% | 0.118 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -103.3 | -24.8 | -171.8 | -72.5 | -77.7 | 0 | 0 | 0 | 114.8 | M156 L157 F160 I193 G199 K200 L215 C217 | M156-F197 HydrophobicContact CE-CD1 4.32Å; M156-F197 HydrophobicContact CE-CE1 4.3Å; M156-F197 HydrophobicContact CE-CZ 4.47Å; M156-F197 HydrophobicContact CG-CE1 3.63Å; M156-F197 HydrophobicContact CG-CE2 4.35Å; M156-F197 HydrophobicContact CG-CZ 3.52Å; M156-F197 WeakPolarHBondContact O-CZ 2.91Å; M156-F197 HydrophobicContact SD-CD1 4.16Å; M156-F197 HydrophobicContact SD-CE1 3.76Å; M156-F197 HydrophobicContact SD-CZ 4.2Å; L157-F197 HydrophobicContact CD2-CE2 4.35Å; F160-F197 AromaticContact CD2-CE2 3.88Å; F160-F197 HydrophobicContact CD2-CE2 3.88Å; F160-F197 HydrophobicContact CE2-CD2 4.3Å; F160-F197 AromaticContact CE2-CE2 3.32Å; F160-F197 HydrophobicContact CE2-CE2 3.32Å; F160-F197 AromaticContact CE2-CZ 3.81Å; F160-F197 HydrophobicContact CE2-CZ 3.81Å; F160-F197 AromaticContact CZ-CE2 3.94Å; F160-F197 HydrophobicContact CZ-CE2 3.94Å; F160-F197 HydrophobicContact CZ-CZ 4.48Å; I193-F197 HydrophobicContact CG2-CD2 4.09Å; I193-F197 WeakPolarHBondContact O-CB 3.46Å; I193-F197 PolarHBondContact O-N 3.29Å; F197-G199 PolarHBondContact O-N 3.34Å; F197-K200 PolarHBondContact O-N 2.85Å; F197-L215 HydrophobicContact CB-CD1 4.43Å; F197-L215 HydrophobicContact CD1-CD1 4.2Å; F197-C217 HydrophobicContact CB-CB 4.48Å; F197-C217 VanDerWaalsContact CB-SG 3.58Å |
| 198 | N | 91.9 | Very high | 81.8 | Confident | 75 Ų | 75 | 79.5 Ų | 79.5 | 40% | 0.401 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 127.1 | -179.6 | -171.2 | 55.2 | 0 | 0 | 0 | 110.8 | I194 K200 L216 C217 | I194-N198 HydrophobicContact CG2-CB 4.5Å; I194-N198 WeakPolarHBondContact O-CB 3.11Å; I194-N198 PolarHBondContact O-N 3.02Å; N198-K200 VanDerWaalsContact C-N 3.33Å; N198-L216 WeakPolarHBondContact OD1-CA 3.31Å; N198-L216 WeakPolarHBondContact OD1-CD1 3.49Å; N198-C217 HydrophobicContact CB-CB 4.06Å; N198-C217 PolarHBondContact OD1-N 3.43Å; N198-C217 PolarHBondContact OD1-O 2.94Å |
| 199 | G | 88 | Confident | 80.2 | Confident | 47 Ų | 47 | 80.6 Ų | 80.6 | 49% | 0.485 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 3.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | F197 P214 L215 | F197-G199 PolarHBondContact O-N 3.34Å; G199-P214 WeakPolarHBondContact O-CB 3.47Å; G199-L215 PolarHBondContact N-O 3.07Å |
| 200 | K | 86.4 | Confident | 78.6 | Confident | 94 Ų | 94 | 80.5 Ų | 80.5 | 41% | 0.409 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -99.5 | 145.6 | 174 | -66.9 | -168.2 | -173.9 | 151.9 | 0 | 112.3 | H196 F197 N198 L215 | H196-K200 PolarHBondContact CD2-NZ 3.4Å; H196-K200 PolarHBondContact NE2-NZ 3.04Å; H196-K200 WeakPolarHBondContact O-CD 3.45Å; H196-K200 WeakPolarHBondContact O-CE 3.35Å; H196-K200 PolarHBondContact O-NZ 2.9Å; F197-K200 PolarHBondContact O-N 2.85Å; N198-K200 VanDerWaalsContact C-N 3.33Å; K200-L215 WeakPolarHBondContact O-CB 3.33Å; K200-L215 WeakPolarHBondContact O-CG 3.35Å; K200-L215 PolarHBondContact O-N 2.91Å |
| 201 | F | 82.4 | Confident | 77.3 | Confident | 132 Ų | 132 | 81.7 Ų | 81.7 | 58% | 0.579 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -79.5 | 137.3 | 168 | -64.7 | -90.9 | 0 | 0 | 0 | 110.2 | P211 P214 | F201-P211 WeakPolarHBondContact CD1-O 3.45Å; F201-P214 HydrophobicContact CD2-CB 4.3Å; F201-P214 HydrophobicContact CE1-CB 4.33Å; F201-P214 HydrophobicContact CE2-CB 4.09Å; F201-P214 HydrophobicContact CZ-CB 4.11Å; F201-P214 HydrophobicContact CZ-CG 4.36Å |
| 202 | I | 79 | Confident | 76.1 | Confident | 33 Ų | 33 | 83.2 Ų | 83.2 | 17% | 0.169 | 48% | 0.478 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 147.4 | 172.3 | -163 | 170.9 | 0 | 0 | 0 | 110.3 | P145 M148 M156 T204 P211 L215 | P145-I202 HydrophobicContact CG-CG2 3.64Å; M148-I202 HydrophobicContact CE-CD1 3.57Å; M148-I202 HydrophobicContact SD-CD1 3.52Å; M148-I202 VanDerWaalsContact SD-CD1 3.52Å; M156-I202 HydrophobicContact SD-CD1 3.77Å; M156-I202 HydrophobicContact SD-CG1 4.38Å; I202-T204 PolarHBondContact O-N 3.48Å; I202-P211 HydrophobicContact CG2-CG 3.95Å; I202-L215 HydrophobicContact CB-CD1 4.19Å; I202-L215 HydrophobicContact CB-CG 4.42Å |
| 203 | K | 65.9 | Low | 75.5 | Confident | 204 Ų | 204 | 87.2 Ų | 87.2 | 89% | 0.887 | 49% | 0.49 | S | S | * | . | trans | -80.4 | 103.9 | 170.9 | -64.4 | -176.5 | 178.6 | -177.5 | 0 | 108.9 | ||||
| 204 | T | 63.5 | Low | 75.3 | Confident | 33 Ų | 33 | 89.4 Ų | 89.4 | 20% | 0.202 | 50% | 0.504 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 156 | 167.9 | 42.3 | 0 | 0 | 0 | 0 | 111.2 | P145 I202 | P145-T204 HydrophobicContact CB-CG2 4.22Å; P145-T204 HydrophobicContact CG-CG2 3.87Å; I202-T204 PolarHBondContact O-N 3.48Å |
| 205 | P | 62.6 | Low | 75.2 | Confident | 71 Ų | 71 | 88 Ų | 88 | 46% | 0.461 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 149.3 | 169.4 | -23.8 | 34.8 | 0 | 0 | 0 | 112 | G207 M208 | P205-G207 PolarHBondContact O-N 3.44Å; P205-M208 PolarHBondContact O-N 3.34Å |
| 206 | P | 50.9 | Low | 75.2 | Confident | 140 Ų | 140 | 83.2 Ų | 83.2 | 91% | 0.909 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 129.6 | 175.5 | -24.3 | 34.3 | 0 | 0 | 0 | 111.7 | ||
| 207 | G | 57.8 | Low | 75.3 | Confident | 89 Ų | 89 | 79.6 Ų | 79.6 | 92% | 0.918 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.7 | -7.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | P205 | P205-G207 PolarHBondContact O-N 3.44Š|
| 208 | M | 64.3 | Low | 75.4 | Confident | 87 Ų | 87 | 81.8 Ų | 81.8 | 43% | 0.429 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -95 | 142.5 | 173.1 | -74.7 | -142.7 | 68 | 0 | 0 | 113.1 | S147 P205 A210 | S147-M208 PolarHBondContact OG-SD 2.8Å; P205-M208 PolarHBondContact O-N 3.34Å; M208-A210 PolarHBondContact O-N 3.16Å; M208-A210 VanDerWaalsContact O-N 3.13Å |
| 209 | L | 59.3 | Low | 75.4 | Confident | 161 Ų | 161 | 81.8 Ų | 81.8 | 84% | 0.843 | 47% | 0.466 | S | S | * | . | trans | -56.6 | 115.7 | 170.4 | -65.3 | 175.8 | 0 | 0 | 0 | 109.8 | ||||
| 210 | A | 59.4 | Low | 75.4 | Confident | 66 Ų | 66 | 80.4 Ų | 80.4 | 55% | 0.545 | 45% | 0.45 | S | S | . | . | trans | -65.5 | 141 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | M208 T212 | M208-A210 PolarHBondContact O-N 3.16Å; M208-A210 VanDerWaalsContact O-N 3.13Å; A210-T212 PolarHBondContact O-N 2.63Å | ||
| 211 | P | 64.8 | Low | 74.7 | Confident | 25 Ų | 25 | 81.1 Ų | 81.1 | 16% | 0.162 | 46% | 0.458 | C | S | . | . | trans | -56.4 | 126.3 | 174.3 | -27.3 | 36.4 | 0 | 0 | 0 | 111.6 | P145 F201 I202 E213 | P145-P211 HydrophobicContact CB-CG 4.48Å; P145-P211 HydrophobicContact CG-CG 3.94Å; F201-P211 WeakPolarHBondContact CD1-O 3.45Å; I202-P211 HydrophobicContact CG2-CG 3.95Å; P211-E213 PolarHBondContact O-N 2.65Å | ||
| 212 | T | 67.6 | Low | 73.5 | Confident | 143 Ų | 143 | 75.9 Ų | 75.9 | 88% | 0.877 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -67.7 | -21.1 | -179.2 | -21.6 | 0 | 0 | 0 | 0 | 112.9 | A210 | A210-T212 PolarHBondContact O-N 2.63Š|
| 213 | E | 82.6 | Confident | 72.4 | Confident | 121 Ų | 121 | 75.7 Ų | 75.7 | 57% | 0.565 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -113.4 | 147.7 | 176.1 | -63.6 | -173.1 | -175.7 | 0 | 0 | 110.4 | N143 P211 | N143-E213 HydrophobicContact CB-CB 4.36Å; N143-E213 VanDerWaalsContact ND2-CB 3.28Å; N143-E213 WeakPolarHBondContact ND2-CB 3.19Å; N143-E213 PolarHBondContact ND2-OE2 3.41Å; P211-E213 PolarHBondContact O-N 2.65Å |
| 214 | P | 88.8 | Confident | 71.5 | Confident | 46 Ų | 46 | 70.1 Ų | 70.1 | 30% | 0.299 | 43% | 0.425 | S | S | . | . | trans | -67.3 | 160.8 | 172 | 30.2 | -35.3 | 0 | 0 | 0 | 111.5 | N143 G199 F201 L216 | N143-P214 VanDerWaalsContact CB-O 3.31Å; N143-P214 WeakPolarHBondContact CB-O 3.29Å; N143-P214 PolarHBondContact ND2-O 3.33Å; G199-P214 WeakPolarHBondContact O-CB 3.47Å; F201-P214 HydrophobicContact CD2-CB 4.3Å; F201-P214 HydrophobicContact CE1-CB 4.33Å; F201-P214 HydrophobicContact CE2-CB 4.09Å; F201-P214 HydrophobicContact CZ-CB 4.11Å; F201-P214 HydrophobicContact CZ-CG 4.36Å; P214-L216 PolarHBondContact O-N 3.18Å | ||
| 215 | L | 91.3 | Very high | 70.8 | Confident | 4 Ų | 4 | 76.5 Ų | 76.5 | 2% | 0.021 | 45% | 0.45 | C | S | . | . | trans | -60 | 132.4 | 173.8 | -66.3 | 178.9 | 0 | 0 | 0 | 111.2 | L144 M156 F197 G199 K200 I202 | L144-L215 HydrophobicContact CD2-CD2 3.86Å; M156-L215 HydrophobicContact CE-CD1 4.37Å; M156-L215 HydrophobicContact SD-CD1 4.36Å; F197-L215 HydrophobicContact CB-CD1 4.43Å; F197-L215 HydrophobicContact CD1-CD1 4.2Å; G199-L215 PolarHBondContact N-O 3.07Å; K200-L215 WeakPolarHBondContact O-CB 3.33Å; K200-L215 WeakPolarHBondContact O-CG 3.35Å; K200-L215 PolarHBondContact O-N 2.91Å; I202-L215 HydrophobicContact CB-CD1 4.19Å; I202-L215 HydrophobicContact CB-CG 4.42Å | ||
| 216 | L | 91.1 | Very high | 70.1 | Confident | 72 Ų | 72 | 83.1 Ų | 83.1 | 38% | 0.377 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 104.4 | 168.9 | 171.6 | 58.3 | 0 | 0 | 0 | 108.5 | Y140 I141 S142 N198 P214 | Y140-L216 HydrophobicContact CE1-CD2 4.37Å; I141-L216 CarbonylContact C-O 3.56Å; I141-L216 VanDerWaalsContact CA-O 3.31Å; I141-L216 WeakPolarHBondContact CA-O 3.42Å; S142-L216 PolarHBondContact N-O 3.14Å; S142-L216 PolarHBondContact O-N 3.38Å; N198-L216 WeakPolarHBondContact OD1-CA 3.31Å; N198-L216 WeakPolarHBondContact OD1-CD1 3.49Å; P214-L216 PolarHBondContact O-N 3.18Å |
| 217 | C | 93.1 | Very high | 70.1 | Confident | 1 Ų | 1 | 86.8 Ų | 86.8 | 1% | 0.007 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 126.4 | 174.7 | -66.3 | 0 | 0 | 0 | 0 | 109.6 | I194 F197 N198 | I194-C217 HydrophobicContact CG1-CB 4.45Å; F197-C217 HydrophobicContact CB-CB 4.48Å; F197-C217 VanDerWaalsContact CB-SG 3.58Å; N198-C217 HydrophobicContact CB-CB 4.06Å; N198-C217 PolarHBondContact OD1-N 3.43Å; N198-C217 PolarHBondContact OD1-O 2.94Å |
| 218 | K | 92.3 | Very high | 69.2 | Low | 74 Ų | 74 | 91 Ų | 91 | 32% | 0.322 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 171.1 | 172.3 | 59.2 | 157 | -174 | 166.2 | 0 | 110.7 | L139 Y140 A220 D221 | L139-K218 WeakPolarHBondContact CA-O 3.12Å; Y140-K218 HydrophobicContact CD1-CD 4.45Å; Y140-K218 HydrophobicContact CD1-CG 3.98Å; Y140-K218 PolarHBondContact N-O 3.31Å; Y140-K218 PolarHBondContact O-N 3.05Å; Y140-K218 VanDerWaalsContact O-O 3.09Å; K218-A220 PolarHBondContact O-N 3.04Å; K218-D221 IonicContact NZ-OD2 3.22Å; K218-D221 PolarHBondContact NZ-OD2 3.48Å |
| 219 | F | 92.4 | Very high | 68.1 | Low | 75 Ų | 75 | 91.7 Ų | 91.7 | 33% | 0.329 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 137.5 | 162.4 | -72.1 | -77.3 | 0 | 0 | 0 | 110 | P136 C190 E191 I194 | P136-F219 VanDerWaalsContact O-CD1 3.3Å; P136-F219 WeakPolarHBondContact O-CD1 3.39Å; P136-F219 VanDerWaalsContact O-CE1 3.23Å; P136-F219 WeakPolarHBondContact O-CE1 3.27Å; C190-F219 HydrophobicContact CB-CD1 4.15Å; C190-F219 HydrophobicContact CB-CE1 3.47Å; C190-F219 VanDerWaalsContact CB-CE1 3.47Å; C190-F219 HydrophobicContact CB-CZ 3.97Å; E191-F219 HydrophobicContact CG-CE2 3.93Å; E191-F219 HydrophobicContact CG-CZ 3.64Å; I194-F219 HydrophobicContact CD1-CD1 4.49Å; I194-F219 HydrophobicContact CD1-CD2 3.63Å; I194-F219 HydrophobicContact CD1-CE2 3.79Å; I194-F219 HydrophobicContact CD1-CG 4.03Å; I194-F219 HydrophobicContact CD1-CZ 4.31Å |
| 220 | A | 88.2 | Confident | 67.1 | Low | 17 Ų | 17 | 92.7 Ų | 92.7 | 14% | 0.14 | 48% | 0.477 | C | S | . | . | trans | -65.4 | 136.8 | 169 | 0 | 0 | 0 | 0 | 0 | 108.9 | N138 F181 K218 G222 | N138-A220 HydrophobicContact CB-CB 4.08Å; N138-A220 WeakPolarHBondContact O-CB 3.33Å; N138-A220 PolarHBondContact O-N 2.97Å; F181-A220 HydrophobicContact CD1-CB 3.97Å; F181-A220 HydrophobicContact CE1-CB 3.99Å; K218-A220 PolarHBondContact O-N 3.04Å; A220-G222 PolarHBondContact O-N 3.15Å | ||
| 221 | D | 71.3 | Confident | 66.6 | Low | 109 Ų | 109 | 92.5 Ų | 92.5 | 58% | 0.583 | 48% | 0.481 | S | S | * | . | trans | -70.5 | 73.1 | 167.3 | -64.7 | -84.8 | 0 | 0 | 0 | 109.1 | K218 | K218-D221 IonicContact NZ-OD2 3.22Å; K218-D221 PolarHBondContact NZ-OD2 3.48Å | ||
| 222 | G | 58.3 | Low | 65.2 | Low | 22 Ų | 22 | 99.6 Ų | 99.6 | 23% | 0.227 | 51% | 0.509 | C | S | . | . | trans | -49.8 | 147.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111 | Q134 A220 Q224 | Q134-G222 PolarHBondContact NE2-O 3.31Å; A220-G222 PolarHBondContact O-N 3.15Å; G222-Q224 VanDerWaalsContact C-N 3.26Å; G222-Q224 PolarHBondContact O-N 2.97Å | ||
| 223 | G | 54.5 | Low | 63.7 | Low | 30 Ų | 30 | 103.3 Ų | 103.3 | 31% | 0.309 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -49.9 | 35.8 | -146.7 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||
| 224 | Q | 47.7 | Very low | 61.4 | Low | 87 Ų | 87 | 105 Ų | 105 | 41% | 0.407 | 52% | 0.521 | S | S | . | . | trans | -139.2 | 106.6 | 153.9 | -67.3 | -59.4 | -8.2 | 0 | 0 | 109.6 | Q134 G222 K226 | Q134-Q224 VanDerWaalsContact NE2-N 3.19Å; G222-Q224 VanDerWaalsContact C-N 3.26Å; G222-Q224 PolarHBondContact O-N 2.97Å; Q224-K226 PolarHBondContact O-N 3.42Å | ||
| 225 | K | 47.9 | Very low | 58.9 | Low | 166 Ų | 166 | 110.4 Ų | 110.4 | 72% | 0.722 | 54% | 0.542 | S | S | * | . | trans | -58.3 | 112.6 | 162.4 | -75.9 | -163.9 | 175.3 | -166.2 | 0 | 107.6 | R227 | K225-R227 PolarHBondContact O-N 3.29Š| ||
| 226 | K | 49 | Very low | 56.2 | Low | 211 Ų | 211 | 117.1 Ų | 117.1 | 92% | 0.917 | 58% | 0.578 | S | S | * | * | trans | -68.7 | 63 | 172.1 | -167.2 | 178.8 | -178.9 | 178.6 | 0 | 109.9 | Q224 Q228 | Q224-K226 PolarHBondContact O-N 3.42Å; K226-Q228 PolarHBondContact O-N 3.32Å | ||
| 227 | R | 50.5 | Low | 53.6 | Low | 217 Ų | 217 | 117 Ų | 117 | 82% | 0.819 | 59% | 0.594 | S | S | * | * | trans | -65.2 | 88.4 | 167.1 | -79.4 | -170.2 | 76.9 | -175 | 4.6 | 107.1 | K225 S229 | K225-R227 PolarHBondContact O-N 3.29Å; R227-S229 PolarHBondContact O-N 3.22Å | ||
| 228 | Q | 39.8 | Very low | 51 | Low | 178 Ų | 178 | 128.1 Ų | 128.1 | 83% | 0.832 | 64% | 0.636 | S | S | * | * | trans | 15.5 | 102.4 | 146.1 | -173.2 | 178 | 38.5 | 0 | 0 | 113.3 | K226 Q230 | K226-Q228 PolarHBondContact O-N 3.32Å; Q228-Q230 PolarHBondContact O-N 3.34Å; Q228-Q230 VanDerWaalsContact O-N 3.13Å | ||
| 229 | S | 41.3 | Very low | 48.5 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 71% | 0.706 | 66% | 0.66 | S | S | * | * | trans | -31.7 | 114.2 | 178.6 | 179.8 | 0 | 0 | 0 | 0 | 112.9 | R227 G231 | R227-S229 PolarHBondContact O-N 3.22Å; S229-G231 PolarHBondContact O-N 3.02Å; S229-G231 VanDerWaalsContact O-N 3.09Å; S229-G231 PolarHBondContact OG-N 2.94Å | ||
| 230 | Q | 38.2 | Very low | 45.8 | Very low | 182 Ų | 182 | 139 Ų | 139 | 85% | 0.85 | 69% | 0.689 | S | S | * | * | trans | -78.5 | 38.4 | 159.2 | -78.3 | -159.2 | -19.4 | 0 | 0 | 111.5 | Q228 K232 | Q228-Q230 PolarHBondContact O-N 3.34Å; Q228-Q230 VanDerWaalsContact O-N 3.13Å; Q230-K232 PolarHBondContact O-N 3.36Å | ||
| 231 | G | 47.6 | Very low | 43.4 | Very low | 61 Ų | 61 | 142.5 Ų | 142.5 | 63% | 0.629 | 72% | 0.719 | S | S | * | * | trans | -66.3 | 58.9 | 153.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S229 | S229-G231 PolarHBondContact O-N 3.02Å; S229-G231 VanDerWaalsContact O-N 3.09Å; S229-G231 PolarHBondContact OG-N 2.94Å | ||
| 232 | K | 35.8 | Very low | 41.6 | Very low | 174 Ų | 174 | 148.7 Ų | 148.7 | 76% | 0.757 | 73% | 0.734 | S | S | * | * | trans | -130.3 | 71.8 | 168.5 | -75.6 | -161 | 174.6 | -169.9 | 0 | 109 | Q230 L234 | Q230-K232 PolarHBondContact O-N 3.36Å; K232-L234 PolarHBondContact O-N 2.88Å; K232-L234 VanDerWaalsContact O-N 3.13Å | ||
| 233 | Y | 36 | Very low | 40.4 | Very low | 221 Ų | 221 | 155.2 Ų | 155.2 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | trans | -57.3 | 112.5 | 149.3 | -90.4 | -90.6 | 0 | 0 | 0 | 107.2 | Q235 | Y233-Q235 PolarHBondContact O-N 3.23Å; Y233-Q235 VanDerWaalsContact O-N 3.15Å | ||
| 234 | L | 34.1 | Very low | 39.3 | Very low | 156 Ų | 156 | 157.1 Ų | 157.1 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | trans | -78 | 96.6 | 179.5 | -90 | 155.7 | 0 | 0 | 0 | 109.5 | K232 | K232-L234 PolarHBondContact O-N 2.88Å; K232-L234 VanDerWaalsContact O-N 3.13Å | ||
| 235 | Q | 36.5 | Very low | 38.5 | Very low | 160 Ų | 160 | 160 Ų | 160 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -116.7 | 110.3 | 157.9 | -165.6 | 72.6 | 76.5 | 0 | 0 | 108.6 | Y233 | Y233-Q235 PolarHBondContact O-N 3.23Å; Y233-Q235 VanDerWaalsContact O-N 3.15Å | ||
| 236 | N | 35.7 | Very low | 37.9 | Very low | 146 Ų | 146 | 158 Ų | 158 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 47.7 | 98.9 | 165 | -58.8 | 13 | 0 | 0 | 0 | 118 | ||
| 237 | G | 36.4 | Very low | 37.4 | Very low | 69 Ų | 69 | 151 Ų | 151 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | 174.5 | 115.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 238 | R | 37.2 | Very low | 36.5 | Very low | 235 Ų | 235 | 144.8 Ų | 144.8 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | -33.7 | 141.7 | -176.6 | -63.5 | 171 | 176.9 | -95.6 | -0.6 | 116.6 | ||||
| 239 | P | 40.5 | Very low | 36.5 | Very low | 127 Ų | 127 | 144 Ų | 144 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 145.2 | 171 | 32.6 | -34.6 | 0 | 0 | 0 | 111.6 | ||
| 240 | W | 35.1 | Very low | 36.4 | Very low | 249 Ų | 249 | 145.8 Ų | 145.8 | 94% | 0.943 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 128 | 159.5 | -76.5 | 73 | 0 | 0 | 0 | 108.1 | ||
| 241 | A | 37.4 | Very low | 36.5 | Very low | 92 Ų | 92 | 144.8 Ų | 144.8 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 162.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 242 | R | 33.2 | Very low | 35.8 | Very low | 239 Ų | 239 | 146.4 Ų | 146.4 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | -138.3 | 62.3 | -179.7 | -160.6 | -153.4 | -174.7 | -156.1 | 0.6 | 112.8 | ||||
| 243 | D | 33.4 | Very low | 35.6 | Very low | 159 Ų | 159 | 148.3 Ų | 148.3 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | trans | -136.9 | 147.8 | 161.1 | -54.8 | -82.1 | 0 | 0 | 0 | 105.5 | ||||
| 244 | G | 31.3 | Very low | 35.6 | Very low | 70 Ų | 70 | 144 Ų | 144 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | cis | 171 | 149.3 | -3.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 245 | D | 31.8 | Very low | 36 | Very low | 148 Ų | 148 | 141 Ų | 141 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | 75.7 | 158.2 | 172.6 | -152.3 | -117.7 | 0 | 0 | 0 | 120.2 | ||||
| 246 | T | 34.9 | Very low | 36.4 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | 0.4 | 157.5 | 173.7 | 52.4 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 247 | G | 38.1 | Very low | 36.3 | Very low | 66 Ų | 66 | 136.2 Ų | 136.2 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | trans | 118 | 22.5 | 136.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | M249 | G247-M249 PolarHBondContact O-N 2.88Š| ||
| 248 | G | 33.2 | Very low | 36.4 | Very low | 85 Ų | 85 | 141 Ų | 141 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | trans | -69 | 61.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | T250 | G248-T250 PolarHBondContact O-N 2.93Š| ||
| 249 | M | 39 | Very low | 36.3 | Very low | 163 Ų | 163 | 137.6 Ų | 137.6 | 80% | 0.803 | 79% | 0.792 | S | S | * | * | trans | -73.7 | 116.5 | 176.8 | -76.9 | -68.7 | -74.3 | 0 | 0 | 111.9 | G247 L251 | G247-M249 PolarHBondContact O-N 2.88Å; M249-L251 PolarHBondContact O-N 3.02Å | ||
| 250 | T | 39 | Very low | 36 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | trans | -80.5 | 96.6 | 173.7 | 53.6 | 0 | 0 | 0 | 0 | 110.6 | G248 A252 | G248-T250 PolarHBondContact O-N 2.93Å; T250-A252 PolarHBondContact O-N 2.91Å | ||
| 251 | L | 39.9 | Very low | 36 | Very low | 161 Ų | 161 | 130.4 Ų | 130.4 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | -77.2 | 110.1 | 172.2 | -71.8 | 176 | 0 | 0 | 0 | 110.6 | M249 | M249-L251 PolarHBondContact O-N 3.02Š| ||
| 252 | A | 33.9 | Very low | 35.8 | Very low | 96 Ų | 96 | 134.2 Ų | 134.2 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | trans | -70.6 | 155.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | T250 | T250-A252 PolarHBondContact O-N 2.91Š| ||
| 253 | Y | 31.7 | Very low | 35.8 | Very low | 214 Ų | 214 | 133.7 Ų | 133.7 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | trans | -91.4 | 117.4 | -176.7 | 179.6 | -87.6 | 0 | 0 | 0 | 110.7 | P255 | Y253-P255 HydrophobicContact CE1-CB 3.96Å; Y253-P255 HydrophobicContact CE1-CG 3.94Å | ||
| 254 | D | 34.6 | Very low | 35.7 | Very low | 130 Ų | 130 | 130.8 Ų | 130.8 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | trans | -130.2 | 119.6 | 170.2 | -171.5 | -17.9 | 0 | 0 | 0 | 109.2 | ||||
| 255 | P | 43.5 | Very low | 36.1 | Very low | 92 Ų | 92 | 132 Ų | 132 | 60% | 0.597 | 77% | 0.772 | S | S | * | * | trans | -102.8 | 52.8 | -171.7 | 40.5 | -36.7 | 0 | 0 | 0 | 114.3 | Y253 | Y253-P255 HydrophobicContact CE1-CB 3.96Å; Y253-P255 HydrophobicContact CE1-CG 3.94Å | ||
| 256 | T | 43.7 | Very low | 36.5 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 69% | 0.693 | 76% | 0.764 | S | S | * | * | trans | -136.6 | 146.4 | 170.3 | 56.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 257 | A | 34.6 | Very low | 36.5 | Very low | 94 Ų | 94 | 133.2 Ų | 133.2 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | trans | 65 | 146.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 258 | L | 37.8 | Very low | 36.2 | Very low | 169 Ų | 169 | 134.9 Ų | 134.9 | 89% | 0.885 | 77% | 0.767 | S | S | * | * | cis | -137.8 | 167.4 | 22.5 | -84.1 | 166.6 | 0 | 0 | 0 | 113.4 | ||||
| 259 | Q | 35.9 | Very low | 36.1 | Very low | 164 Ų | 164 | 139.5 Ų | 139.5 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | trans | -116.4 | 135.3 | 165.2 | 177.5 | 178.5 | 1.7 | 0 | 0 | 110 | ||||
| 260 | N | 34.7 | Very low | 36 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | trans | 65.3 | 147.1 | 177.6 | -54 | -26.7 | 0 | 0 | 0 | 116 | ||||
| 261 | G | 34.2 | Very low | 36.7 | Very low | 78 Ų | 78 | 135.3 Ų | 135.3 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | 153.6 | 14.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 262 | F | 33.4 | Very low | 36.5 | Very low | 173 Ų | 173 | 134.6 Ų | 134.6 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | trans | 23.9 | 115.6 | 154.8 | -165.3 | -85.5 | 0 | 0 | 0 | 120.3 | ||||
| 263 | Y | 33.9 | Very low | 36.6 | Very low | 228 Ų | 228 | 141.9 Ų | 141.9 | 89% | 0.894 | 77% | 0.77 | S | S | * | * | trans | -158.8 | 169.6 | 137.4 | -103.3 | -64.8 | 0 | 0 | 0 | 111.4 | ||||
| 264 | S | 31.7 | Very low | 36.7 | Very low | 97 Ų | 97 | 139.1 Ų | 139.1 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | -92.7 | 154.8 | -145 | -56.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 265 | S | 38.6 | Very low | 36.9 | Very low | 95 Ų | 95 | 140.6 Ų | 140.6 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | trans | -74.8 | 174.8 | 161.4 | -151.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 266 | P | 40.4 | Very low | 36.4 | Very low | 96 Ų | 96 | 139.9 Ų | 139.9 | 62% | 0.623 | 78% | 0.775 | S | S | * | * | -125.7 | 175.8 | 61 | 42.6 | -32.9 | 0 | 0 | 0 | 112.7 | |||||
| 267 | Y | 35.6 | Very low | 35.8 | Very low | 201 Ų | 201 | 142.7 Ų | 142.7 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | cis | -123.7 | 160.5 | -5.3 | -74.6 | -74.6 | 0 | 0 | 0 | 107.8 | ||||
| 268 | S | 30 | Very low | 35.7 | Very low | 100 Ų | 100 | 143.4 Ų | 143.4 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | cis | 77.4 | 88.5 | 38.8 | -44.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 269 | L | 33 | Very low | 35.4 | Very low | 183 Ų | 183 | 140.1 Ų | 140.1 | 96% | 0.958 | 77% | 0.766 | S | S | * | * | trans | -115.4 | 133.2 | 147.2 | -75.9 | 174.2 | 0 | 0 | 0 | 108.3 | ||||
| 270 | A | 35.5 | Very low | 35.4 | Very low | 98 Ų | 98 | 139.7 Ų | 139.7 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | trans | -140.3 | 155.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 271 | P | 54.3 | Low | 35.2 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | -114.5 | 178.9 | -142.8 | 41.1 | -34.4 | 0 | 0 | 0 | 116.6 | ||||
| 272 | N | 36 | Very low | 36.4 | Very low | 146 Ų | 146 | 139.1 Ų | 139.1 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | trans | 68.1 | 119.9 | 162.6 | -73.2 | -10.4 | 0 | 0 | 0 | 120 | ||||
| 273 | R | 35.9 | Very low | 36.6 | Very low | 249 Ų | 249 | 140.9 Ų | 140.9 | 94% | 0.94 | 76% | 0.764 | S | S | * | * | trans | -134.3 | 170.2 | 138.2 | -81.3 | -157.6 | 170.9 | -148.8 | -1.9 | 110.2 | ||||
| 274 | M | 33.2 | Very low | 36.7 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 77% | 0.768 | 75% | 0.752 | S | S | * | * | trans | -142.8 | 163.2 | -149.4 | -47.3 | 160.4 | 81.2 | 0 | 0 | 111.6 | ||||
| 275 | I | 39.2 | Very low | 36.7 | Very low | 162 Ų | 162 | 139.9 Ų | 139.9 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | trans | 73.6 | 147.2 | 161.4 | -58.7 | 150.7 | 0 | 0 | 0 | 113.6 | ||||
| 276 | A | 32.4 | Very low | 36.6 | Very low | 77 Ų | 77 | 140.1 Ų | 140.1 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | cis | -141.6 | 153.6 | 10.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 277 | Q | 30.6 | Very low | 37.4 | Very low | 172 Ų | 172 | 140.2 Ų | 140.2 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | 61 | 141.2 | 91.6 | -67.6 | -87 | -25 | 0 | 0 | 116.6 | |||||
| 278 | T | 33 | Very low | 37.4 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 66% | 0.663 | 76% | 0.762 | S | S | * | * | cis | -102.4 | -116.4 | 13.1 | 46.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 279 | S | 32.9 | Very low | 37.8 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | cis | -155.9 | 175.3 | 17.3 | -54 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 280 | L | 35.4 | Very low | 37.8 | Very low | 154 Ų | 154 | 133.6 Ų | 133.6 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | trans | -128.4 | 136.4 | -174.9 | -71.8 | 93.3 | 0 | 0 | 0 | 112.3 | ||||
| 281 | S | 30.7 | Very low | 37.8 | Very low | 103 Ų | 103 | 140 Ų | 140 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | 86.1 | 164.5 | 70.2 | -45.5 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 282 | P | 59 | Low | 37.1 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | cis | -138.8 | 171.3 | -4.9 | 31.3 | -8.4 | 0 | 0 | 0 | 118.5 | ||||
| 283 | Y | 37.3 | Very low | 37.2 | Very low | 209 Ų | 209 | 142.2 Ų | 142.2 | 82% | 0.82 | 76% | 0.763 | S | S | * | * | trans | 73.1 | 151.6 | 143.3 | -89 | -135.8 | 0 | 0 | 0 | 122.9 | ||||
| 284 | M | 36.8 | Very low | 37.2 | Very low | 132 Ų | 132 | 137.7 Ų | 137.7 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | cis | -169.9 | 173 | -26.3 | -117.5 | -47.5 | 118.6 | 0 | 0 | 113.6 | ||||
| 285 | H | 30.3 | Very low | 37.5 | Very low | 172 Ų | 172 | 135.9 Ų | 135.9 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | trans | 96.6 | 128.5 | 170.2 | -53.4 | 94 | 0 | 0 | 0 | 116.9 | ||||
| 286 | S | 37.1 | Very low | 38.1 | Very low | 100 Ų | 100 | 133.8 Ų | 133.8 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | cis | 108.2 | 144 | 8.3 | -171.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 287 | P | 56.3 | Low | 38.2 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | cis | -143 | -171.4 | -32.5 | 41 | -23.1 | 0 | 0 | 0 | 115.5 | ||||
| 288 | V | 36.4 | Very low | 38.6 | Very low | 137 Ų | 137 | 139.2 Ų | 139.2 | 83% | 0.83 | 77% | 0.765 | S | S | * | * | trans | 62.5 | 156.1 | 161.6 | -53.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 289 | S | 38.8 | Very low | 38.8 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | cis | -144.1 | 174.5 | 1.4 | -151.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 290 | S | 32.3 | Very low | 39 | Very low | 97 Ų | 97 | 146.2 Ų | 146.2 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | -69.5 | 151.2 | -174.2 | 56.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 291 | Y | 36.7 | Very low | 39.1 | Very low | 234 Ų | 234 | 148 Ų | 148 | 92% | 0.918 | 79% | 0.785 | S | S | * | * | trans | -151.8 | 147.4 | 132.9 | -109.7 | -77.2 | 0 | 0 | 0 | 110.9 | ||||
| 292 | Q | 38 | Very low | 39.3 | Very low | 162 Ų | 162 | 150.4 Ų | 150.4 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | trans | -113.6 | 143 | 170.8 | -71.2 | -167 | -0.6 | 0 | 0 | 110.9 | ||||
| 293 | V | 38.1 | Very low | 38.2 | Very low | 143 Ų | 143 | 150.5 Ų | 150.5 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | trans | -139.8 | 140.8 | 158.9 | -177.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 294 | H | 37.1 | Very low | 38.1 | Very low | 154 Ų | 154 | 151.3 Ų | 151.3 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 154.7 | -174.2 | -71.6 | 30.6 | 0 | 0 | 0 | 113.1 | ||
| 295 | S | 38.5 | Very low | 38 | Very low | 117 Ų | 117 | 152 Ų | 152 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -92 | 126.7 | 169.3 | -53.3 | 0 | 0 | 0 | 0 | 111 | ||
| 296 | P | 52 | Low | 38.3 | Very low | 118 Ų | 118 | 152.5 Ų | 152.5 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 117.9 | 172.2 | 32.1 | -30.7 | 0 | 0 | 0 | 111.7 | ||
| 297 | S | 35.4 | Very low | 38.5 | Very low | 113 Ų | 113 | 155.6 Ų | 155.6 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 134 | 169.7 | -55.6 | 0 | 0 | 0 | 0 | 110.9 | ||
| 298 | W | 37.5 | Very low | 38.8 | Very low | 250 Ų | 250 | 156.2 Ų | 156.2 | 95% | 0.947 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 129.6 | 168.9 | -96.8 | 71.8 | 0 | 0 | 0 | 111 | ||
| 299 | M | 38 | Very low | 38.7 | Very low | 172 Ų | 172 | 154.4 Ų | 154.4 | 85% | 0.847 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -93 | 159 | -173.6 | -68.4 | 176.9 | 64.1 | 0 | 0 | 112.6 | ||
| 300 | H | 38 | Very low | 38.6 | Very low | 184 Ų | 184 | 152.6 Ų | 152.6 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 156.2 | 171.6 | -64.1 | -164.3 | 0 | 0 | 0 | 111.1 | ||
| 301 | H | 37.2 | Very low | 38.6 | Very low | 191 Ų | 191 | 155 Ų | 155 | 88% | 0.884 | 82% | 0.818 | S | S | * | * | trans | -116.6 | 138.3 | 162.1 | -142.1 | -76.8 | 0 | 0 | 0 | 110.9 | ||||
| 302 | Q | 34.4 | Very low | 38.6 | Very low | 154 Ų | 154 | 149.6 Ų | 149.6 | 72% | 0.72 | 81% | 0.809 | S | S | * | * | trans | -100.2 | 162.9 | 172.9 | -76.9 | -79.8 | -4.5 | 0 | 0 | 110.1 | ||||
| 303 | S | 35.1 | Very low | 38.5 | Very low | 113 Ų | 113 | 150 Ų | 150 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | -140.3 | 144.9 | 163.4 | 45.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 304 | Y | 35.8 | Very low | 38.4 | Very low | 226 Ų | 226 | 149 Ų | 149 | 89% | 0.886 | 81% | 0.81 | S | S | * | * | trans | -92 | 162.2 | -156.9 | -103.4 | -99.4 | 0 | 0 | 0 | 115.8 | ||||
| 305 | L | 34.7 | Very low | 39.5 | Very low | 147 Ų | 147 | 147.2 Ų | 147.2 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | trans | -54.1 | 151 | 177.4 | -81.4 | 147.5 | 0 | 0 | 0 | 116.4 | ||||
| 306 | M | 37.2 | Very low | 39.1 | Very low | 182 Ų | 182 | 147.6 Ų | 147.6 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | trans | -149.8 | 146 | 131.9 | -139.8 | -177.6 | 81.5 | 0 | 0 | 111.9 | ||||
| 307 | Q | 41.6 | Very low | 38.2 | Very low | 164 Ų | 164 | 150 Ų | 150 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | trans | -169.8 | 177 | -176.6 | -111.5 | -160.8 | 17.7 | 0 | 0 | 108.5 | ||||
| 308 | P | 61.1 | Low | 37.7 | Very low | 112 Ų | 112 | 151 Ų | 151 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | cis | -136.8 | 176.4 | -21.6 | 36.5 | -18.7 | 0 | 0 | 0 | 114.9 | ||||
| 309 | A | 35.7 | Very low | 38 | Very low | 99 Ų | 99 | 146.7 Ų | 146.7 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -152.3 | 139.4 | 142.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 310 | G | 35.3 | Very low | 37.7 | Very low | 72 Ų | 72 | 142.7 Ų | 142.7 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | 89.9 | 111.8 | 54.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 311 | T | 33.8 | Very low | 37.9 | Very low | 147 Ų | 147 | 142.2 Ų | 142.2 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | cis | -154.6 | 164.5 | 33.8 | -62.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 312 | V | 36.4 | Very low | 37.8 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | -84.4 | 147.8 | 177.7 | 172.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 313 | L | 36.1 | Very low | 37.9 | Very low | 171 Ų | 171 | 138 Ų | 138 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | trans | -162 | 160.5 | 141.4 | -106.2 | 177.3 | 0 | 0 | 0 | 111.4 | ||||
| 314 | T | 35 | Very low | 37.8 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -129.9 | -172.2 | -174.7 | 74.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 315 | P | 61.5 | Low | 38.6 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | -118.7 | 146.1 | -129.1 | 37.2 | -19.1 | 0 | 0 | 0 | 116.9 | |||||
| 316 | T | 28.8 | Very low | 38.7 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 77% | 0.767 | 77% | 0.774 | S | S | * | * | trans | -152.4 | 132.7 | 170.9 | 50.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 317 | M | 32.7 | Very low | 38.8 | Very low | 167 Ų | 167 | 129.1 Ų | 129.1 | 82% | 0.823 | 76% | 0.762 | S | S | * | * | trans | 58.9 | 157.4 | 140.4 | -61.8 | 173.2 | 82.1 | 0 | 0 | 119.8 | ||||
| 318 | E | 26.8 | Very low | 38.6 | Very low | 135 Ų | 135 | 128.7 Ų | 128.7 | 63% | 0.631 | 76% | 0.762 | S | S | * | * | cis | -170.5 | 169.3 | -33.1 | -158.9 | -174.5 | -171.8 | 0 | 0 | 106.5 | ||||
| 319 | H | 42.8 | Very low | 37.4 | Very low | 159 Ų | 159 | 131 Ų | 131 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | trans | 67 | 155.9 | 164.5 | -73.6 | 103.4 | 0 | 0 | 0 | 117.3 | ||||
| 320 | A | 32.1 | Very low | 37.7 | Very low | 89 Ų | 89 | 129.5 Ų | 129.5 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | cis | -148.2 | 170.8 | -7.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 321 | M | 41.1 | Very low | 39.3 | Very low | 174 Ų | 174 | 132.3 Ų | 132.3 | 86% | 0.857 | 76% | 0.764 | S | S | * | * | trans | -75.6 | 162.4 | 172.7 | -55.5 | 176.9 | -72.3 | 0 | 0 | 112.6 | ||||
| 322 | S | 36.8 | Very low | 39.6 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | trans | -146.3 | 153.7 | 154.6 | -169.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 323 | I | 35.6 | Very low | 39.8 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 68% | 0.677 | 76% | 0.763 | S | S | * | * | trans | -155.2 | 135.5 | -155.1 | -113.1 | 168.9 | 0 | 0 | 0 | 111.3 | ||||
| 324 | Q | 33.6 | Very low | 40.2 | Very low | 171 Ų | 171 | 132.7 Ų | 132.7 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | trans | 67.6 | 173.3 | 157.8 | -65.3 | -73.3 | -62.7 | 0 | 0 | 117.4 | ||||
| 325 | P | 51.6 | Low | 40.6 | Very low | 92 Ų | 92 | 135.1 Ų | 135.1 | 60% | 0.597 | 76% | 0.759 | S | S | * | * | cis | -145 | -174 | -46.6 | 41.7 | -25.4 | 0 | 0 | 0 | 117 | ||||
| 326 | T | 36.8 | Very low | 39.4 | Very low | 125 Ų | 125 | 136 Ų | 136 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | trans | 78.3 | 141.9 | 144.4 | -61.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 327 | S | 40.6 | Very low | 39.6 | Very low | 92 Ų | 92 | 134.4 Ų | 134.4 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | cis | -174.8 | 176.1 | -25.9 | -85.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 328 | M | 35.8 | Very low | 40 | Very low | 156 Ų | 156 | 135.7 Ų | 135.7 | 77% | 0.768 | 75% | 0.753 | S | S | * | * | trans | 113.9 | 141.9 | 144.8 | -55.1 | -55.6 | -103.6 | 0 | 0 | 120.2 | ||||
| 329 | M | 35.8 | Very low | 40.5 | Very low | 161 Ų | 161 | 137 Ų | 137 | 79% | 0.793 | 76% | 0.764 | S | S | * | * | trans | -11.8 | 158.4 | 167.3 | -90.1 | 60.8 | 79 | 0 | 0 | 121.1 | ||||
| 330 | G | 43 | Very low | 40 | Very low | 66 Ų | 66 | 135.2 Ų | 135.2 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | cis | 177.6 | -177.9 | 6.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 331 | P | 67.7 | Low | 40.5 | Very low | 132 Ų | 132 | 139.5 Ų | 139.5 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | trans | -90.5 | 159 | -169.3 | 35.8 | -36 | 0 | 0 | 0 | 114.7 | ||||
| 332 | L | 40.5 | Very low | 40.1 | Very low | 176 Ų | 176 | 135 Ų | 135 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | trans | -133.4 | 146.4 | 168.4 | -158.1 | 75.9 | 0 | 0 | 0 | 112.1 | ||||
| 333 | T | 41 | Very low | 40.2 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | -121.6 | 143.6 | 177.7 | 170.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 334 | Q | 45.8 | Very low | 40.1 | Very low | 156 Ų | 156 | 135.3 Ų | 135.3 | 73% | 0.729 | 79% | 0.785 | S | S | * | * | trans | 173.6 | 134.6 | 134.4 | -101.3 | 175 | 86.2 | 0 | 0 | 113.7 | ||||
| 335 | Q | 43.2 | Very low | 40 | Very low | 174 Ų | 174 | 130.6 Ų | 130.6 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | 167.4 | 113.9 | 119.9 | -89.8 | 178.3 | -123.2 | 0 | 0 | 107 | |||||
| 336 | L | 35.3 | Very low | 39.1 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | 61.8 | 132.2 | 76.1 | -64 | 175.5 | 0 | 0 | 0 | 113 | |||||
| 337 | S | 34 | Very low | 39 | Very low | 92 Ų | 92 | 136.8 Ų | 136.8 | 64% | 0.643 | 80% | 0.795 | S | S | * | * | cis | 179.9 | 133.8 | -11.7 | 45.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 338 | H | 39.7 | Very low | 39 | Very low | 194 Ų | 194 | 138.8 Ų | 138.8 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | trans | -176.6 | 156.1 | 137.8 | 47.1 | -91.1 | 0 | 0 | 0 | 112.8 | ||||
| 339 | L | 37.3 | Very low | 39.8 | Very low | 164 Ų | 164 | 136.6 Ų | 136.6 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | trans | -107.6 | 146.9 | 171 | -69.1 | 150.5 | 0 | 0 | 0 | 109.1 | ||||
| 340 | S | 33.9 | Very low | 39.8 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | 169.5 | 160.3 | 125.8 | -78.3 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 341 | L | 40.9 | Very low | 39.4 | Very low | 179 Ų | 179 | 136.3 Ų | 136.3 | 94% | 0.937 | 79% | 0.792 | S | S | * | * | trans | -81.4 | 158.5 | 172.4 | -54.6 | 97.2 | 0 | 0 | 0 | 111.8 | ||||
| 342 | G | 33.1 | Very low | 37.9 | Very low | 79 Ų | 79 | 134.4 Ų | 134.4 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | trans | -167.6 | 124 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 343 | S | 39.5 | Very low | 37.5 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -106.3 | 174.4 | 176.4 | -66.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 344 | T | 32.4 | Very low | 37.5 | Very low | 153 Ų | 153 | 133.2 Ų | 133.2 | 94% | 0.939 | 77% | 0.77 | S | S | * | * | trans | 74.5 | 151.6 | 179.4 | 78.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 345 | G | 32.7 | Very low | 37 | Very low | 71 Ų | 71 | 134 Ų | 134 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | cis | -166.1 | 163.9 | -2.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 346 | T | 31.9 | Very low | 36.6 | Very low | 125 Ų | 125 | 128.9 Ų | 128.9 | 77% | 0.767 | 77% | 0.768 | S | S | * | * | trans | -54.3 | 146.7 | -176.1 | -47.9 | 0 | 0 | 0 | 0 | 115.9 | I348 | T346-I348 HydrophobicContact CG2-CG1 4.31Š| ||
| 347 | Y | 35 | Very low | 36.4 | Very low | 222 Ų | 222 | 128.5 Ų | 128.5 | 87% | 0.871 | 77% | 0.771 | S | S | * | * | trans | -150.4 | 141.9 | 141.5 | -128.2 | -84.5 | 0 | 0 | 0 | 113 | ||||
| 348 | I | 41.1 | Very low | 36.3 | Very low | 135 Ų | 135 | 135 Ų | 135 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | -145.3 | 147.5 | 171.7 | -30.3 | 177.8 | 0 | 0 | 0 | 107.7 | T346 | T346-I348 HydrophobicContact CG2-CG1 4.31Š| ||
| 349 | P | 51.4 | Low | 36.2 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | -128.9 | 138.6 | 117 | 4.9 | 16.9 | 0 | 0 | 0 | 111.1 | |||||
| 350 | A | 37.3 | Very low | 36.8 | Very low | 83 Ų | 83 | 131 Ų | 131 | 69% | 0.686 | 77% | 0.774 | S | S | * | * | 70.7 | 138 | 65.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 351 | N | 34.1 | Very low | 36.8 | Very low | 139 Ų | 139 | 132 Ų | 132 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | cis | -152.6 | 169.3 | 9.2 | -134.7 | 24.5 | 0 | 0 | 0 | 109.6 | ||||
| 352 | T | 36 | Very low | 36.4 | Very low | 92 Ų | 92 | 133.8 Ų | 133.8 | 56% | 0.564 | 76% | 0.761 | S | S | * | * | cis | -125.3 | -102 | 12 | -50.4 | 0 | 0 | 0 | 0 | 113.1 | M354 | T352-M354 HydrophobicContact CG2-CE 3.81Š| ||
| 353 | T | 32.9 | Very low | 36.6 | Very low | 120 Ų | 120 | 135 Ų | 135 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | cis | -150.3 | 169.5 | 8.7 | -60.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 354 | M | 39.7 | Very low | 37.3 | Very low | 144 Ų | 144 | 135 Ų | 135 | 71% | 0.709 | 75% | 0.75 | S | S | * | * | trans | -97.9 | 143.4 | -163 | -64.5 | -67.5 | 100.6 | 0 | 0 | 114 | T352 | T352-M354 HydrophobicContact CG2-CE 3.81Š| ||
| 355 | Q | 36.3 | Very low | 37.6 | Very low | 173 Ų | 173 | 134.6 Ų | 134.6 | 81% | 0.808 | 75% | 0.747 | S | S | * | * | cis | -118.5 | -137.9 | -8.4 | -60.1 | -173.3 | -4.6 | 0 | 0 | 109.4 | ||||
| 356 | G | 34.4 | Very low | 38.2 | Very low | 67 Ų | 67 | 136.2 Ų | 136.2 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | cis | 157.7 | 154.2 | 5.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 357 | T | 31.6 | Very low | 38.8 | Very low | 125 Ų | 125 | 136.4 Ų | 136.4 | 77% | 0.767 | 75% | 0.748 | S | S | * | * | cis | -142.4 | 129.9 | 2.6 | -69.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 358 | Y | 31.6 | Very low | 38.9 | Very low | 229 Ų | 229 | 131.3 Ų | 131.3 | 90% | 0.898 | 75% | 0.745 | S | S | * | * | trans | 35.7 | 126.2 | 162.4 | -115.9 | -106.3 | 0 | 0 | 0 | 122.2 | ||||
| 359 | I | 36.5 | Very low | 38.4 | Very low | 160 Ų | 160 | 132.5 Ų | 132.5 | 82% | 0.821 | 75% | 0.752 | S | S | * | * | trans | -149.8 | 146.7 | 178.1 | 19.4 | 168.7 | 0 | 0 | 0 | 113.1 | ||||
| 360 | P | 50.5 | Low | 37.5 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | trans | -106.6 | -164.1 | 178.6 | 42.1 | -36.3 | 0 | 0 | 0 | 114.3 | ||||
| 361 | Q | 33.3 | Very low | 37.8 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 67% | 0.668 | 76% | 0.762 | S | S | * | * | trans | -127.1 | 177.5 | 169.3 | -70.1 | -68.3 | -21.3 | 0 | 0 | 108.4 | ||||
| 362 | Y | 34 | Very low | 37.8 | Very low | 215 Ų | 215 | 134.5 Ų | 134.5 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | cis | -154.9 | -169.7 | 28.3 | -66.7 | -90.2 | 0 | 0 | 0 | 109.7 | ||||
| 363 | T | 36.5 | Very low | 37.6 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 64% | 0.638 | 77% | 0.772 | S | S | * | * | -173.3 | 147 | -53 | -68.1 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 364 | P | 54.3 | Low | 37.5 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -111.3 | 164.8 | -165.8 | 40.9 | -34.2 | 0 | 0 | 0 | 116 | ||||
| 365 | V | 38.2 | Very low | 37 | Very low | 145 Ų | 145 | 139.4 Ų | 139.4 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | trans | -155.7 | -172.7 | 159 | -71 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 366 | P | 46.1 | Very low | 36.7 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | -125.7 | 179.2 | -110.2 | 31.8 | -7.2 | 0 | 0 | 0 | 115.8 | |||||
| 367 | P | 45.1 | Very low | 36.5 | Very low | 128 Ų | 128 | 135 Ų | 135 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | trans | -86.1 | 145.8 | 170.5 | 34.2 | -34 | 0 | 0 | 0 | 113.2 | ||||
| 368 | S | 36.6 | Very low | 36.5 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -132 | 138.9 | 177.9 | -68.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 369 | N | 30.7 | Very low | 36.6 | Very low | 159 Ų | 159 | 135.2 Ų | 135.2 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | trans | -79 | 148 | 167.2 | -63.9 | -23 | 0 | 0 | 0 | 111.2 | ||||
| 370 | V | 32.5 | Very low | 36.5 | Very low | 147 Ų | 147 | 135.2 Ų | 135.2 | 89% | 0.891 | 77% | 0.769 | S | S | * | * | trans | -160.5 | 160.6 | 140.9 | -101.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 371 | P | 43.3 | Very low | 35.4 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | -126.2 | 174.5 | -159.8 | 45.3 | -32.3 | 0 | 0 | 0 | 116.3 | ||||
| 372 | V | 33.1 | Very low | 35.5 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 72% | 0.715 | 78% | 0.78 | S | S | * | * | trans | 36.6 | 143.9 | 132.1 | -178.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 373 | E | 32.9 | Very low | 35.5 | Very low | 172 Ų | 172 | 131.5 Ų | 131.5 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | 71.8 | 154.7 | 162.9 | -86.8 | 167.3 | 123.3 | 0 | 0 | 118.1 | ||||
| 374 | E | 29.4 | Very low | 35.4 | Very low | 148 Ų | 148 | 133.9 Ų | 133.9 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | cis | -156.8 | 162.8 | -18.8 | -154.7 | -155.7 | 35.2 | 0 | 0 | 110.1 | ||||
| 375 | N | 30.7 | Very low | 34.3 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | 71.9 | 150.3 | 143.2 | -129.1 | -37 | 0 | 0 | 0 | 124.4 | ||||
| 376 | G | 29.3 | Very low | 34.1 | Very low | 71 Ų | 71 | 136.9 Ų | 136.9 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | 89.5 | 129.4 | 153.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 377 | G | 30.5 | Very low | 34.3 | Very low | 75 Ų | 75 | 137.4 Ų | 137.4 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -167 | -85.6 | -180 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 378 | Q | 32.3 | Very low | 33.8 | Very low | 185 Ų | 185 | 135 Ų | 135 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | 74.4 | 162.6 | -173.4 | -57.7 | -170.6 | -17.2 | 0 | 0 | 118.3 | ||||
| 379 | Q | 32.8 | Very low | 33.8 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | 76.2 | 128.4 | 174.8 | -57.2 | -177.7 | 14.4 | 0 | 0 | 116.2 | ||||
| 380 | Q | 33.4 | Very low | 34.3 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | cis | -151.6 | 179.2 | -8.6 | -162.5 | 153.8 | -11.8 | 0 | 0 | 111.5 | ||||
| 381 | Q | 29.2 | Very low | 34.6 | Very low | 167 Ų | 167 | 138.7 Ų | 138.7 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | trans | -57.2 | 162.7 | -177.4 | -68.7 | 159 | -45.8 | 0 | 0 | 113.7 | ||||
| 382 | V | 34.8 | Very low | 34.1 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | -151.3 | 154.7 | 65.9 | 175.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 383 | A | 34.8 | Very low | 34.3 | Very low | 85 Ų | 85 | 145.1 Ų | 145.1 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | trans | -46.9 | 174.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 384 | M | 32.6 | Very low | 34.4 | Very low | 155 Ų | 155 | 142.7 Ų | 142.7 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | cis | -176.2 | 152.1 | -25.4 | 177.9 | 151.3 | 168.8 | 0 | 0 | 109.4 | ||||
| 385 | E | 31.1 | Very low | 34.7 | Very low | 174 Ų | 174 | 145.5 Ų | 145.5 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | 69.1 | 153.3 | 160.6 | -89.4 | -180 | 116.1 | 0 | 0 | 123.1 | ||||
| 386 | N | 35.2 | Very low | 35.2 | Very low | 145 Ų | 145 | 146.5 Ų | 146.5 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | trans | -85.9 | 170 | 177.6 | -134.1 | 7.4 | 0 | 0 | 0 | 108.9 | ||||
| 387 | P | 49.5 | Very low | 35.6 | Very low | 117 Ų | 117 | 151.1 Ų | 151.1 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | -157 | 161.9 | 83.9 | 40.8 | -21.1 | 0 | 0 | 0 | 118.8 | |||||
| 388 | A | 36.3 | Very low | 35.9 | Very low | 78 Ų | 78 | 152.4 Ų | 152.4 | 65% | 0.645 | 79% | 0.785 | S | S | * | * | trans | 40.3 | 130.2 | 137.5 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 389 | E | 35.1 | Very low | 36.4 | Very low | 181 Ų | 181 | 156.8 Ų | 156.8 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | 38 | 124.1 | 132 | -55.8 | -171.5 | 115.6 | 0 | 0 | 121.2 | ||||
| 390 | H | 42.2 | Very low | 36.6 | Very low | 193 Ų | 193 | 155.9 Ų | 155.9 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | -151.7 | 141.8 | 128.8 | -107.9 | -68 | 0 | 0 | 0 | 112.4 | |||||
| 391 | T | 37.8 | Very low | 36.7 | Very low | 125 Ų | 125 | 155.6 Ų | 155.6 | 77% | 0.767 | 80% | 0.803 | S | S | * | * | trans | -73.5 | 146.2 | 174.2 | 24.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 392 | N | 33.8 | Very low | 37.2 | Very low | 160 Ų | 160 | 155 Ų | 155 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -155 | 158 | 138 | -134.1 | -31.9 | 0 | 0 | 0 | 114.4 | ||||
| 393 | Y | 36.8 | Very low | 37.3 | Very low | 200 Ų | 200 | 155.8 Ų | 155.8 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | -87.6 | 156 | 179 | -84.6 | -110.8 | 0 | 0 | 0 | 112.2 | ||||
| 394 | S | 36 | Very low | 37.5 | Very low | 121 Ų | 121 | 160.3 Ų | 160.3 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -149.3 | 142 | 140.9 | -170.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 395 | Y | 34.8 | Very low | 37.8 | Very low | 208 Ų | 208 | 160.6 Ų | 160.6 | 82% | 0.816 | 81% | 0.81 | S | S | * | * | trans | -125 | 151 | -178 | -128.2 | -96.1 | 0 | 0 | 0 | 109.8 | H397 | Y395-H397 PolarHBondContact O-N 3.27Š| ||
| 396 | Q | 40.7 | Very low | 38.3 | Very low | 161 Ų | 161 | 159.6 Ų | 159.6 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | trans | -25.1 | 123.5 | 169.7 | -78.4 | -83.4 | 6.9 | 0 | 0 | 116.7 | ||||
| 397 | H | 39 | Very low | 38.5 | Very low | 168 Ų | 168 | 160.8 Ų | 160.8 | 78% | 0.778 | 81% | 0.813 | S | S | * | * | -151.4 | 125.3 | 129.6 | -131.8 | 71 | 0 | 0 | 0 | 117.4 | Y395 | Y395-H397 PolarHBondContact O-N 3.27Š| |||
| 398 | T | 36.5 | Very low | 37.6 | Very low | 102 Ų | 102 | 164.4 Ų | 164.4 | 63% | 0.626 | 82% | 0.817 | S | S | * | * | trans | -11.9 | 123.1 | 152.7 | -25 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 399 | K | 42 | Very low | 37.7 | Very low | 276 Ų | 276 | 172.3 Ų | 172.3 | 100% | 1.2 | 83% | 0.833 | S | S | * | * | -159.6 | 0 | 117.7 | -119.7 | 179.3 | -178.6 | 179.4 | 0 | 112.9 |
Retrieved 399 of 399 residues in 176.3 ms
(Link to these results)