| 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 | 35.5 | Very low | 35.2 | Very low | 217 Ų | 217 | 171.1 Ų | 171.1 | 100% | 1.069 | 86% | 0.863 | S | S | * | * | 0 | 88.7 | 0 | -57.7 | 177.3 | -169.1 | 0 | 0 | 107.7 | |||||
| 2 | E | 32 | Very low | 35.6 | Very low | 187 Ų | 187 | 176.2 Ų | 176.2 | 87% | 0.874 | 86% | 0.864 | S | S | * | * | cis | 61.8 | 141.9 | 24.8 | -55.6 | 155.5 | 103.1 | 0 | 0 | 113.1 | ||||
| 3 | A | 33.2 | Very low | 35.3 | Very low | 87 Ų | 87 | 173.7 Ų | 173.7 | 72% | 0.719 | 86% | 0.857 | S | S | * | * | cis | -142.5 | 164.7 | 15.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 4 | F | 34.1 | Very low | 35.2 | Very low | 191 Ų | 191 | 167.7 Ų | 167.7 | 84% | 0.838 | 84% | 0.841 | S | S | * | * | trans | -69.9 | 146.2 | 162.1 | -81.3 | -113 | 0 | 0 | 0 | 112.1 | ||||
| 5 | R | 39 | Very low | 35.6 | Very low | 230 Ų | 230 | 167.7 Ų | 167.7 | 87% | 0.868 | 84% | 0.843 | S | S | * | * | -179.8 | 132.9 | 126.2 | -99 | 156.1 | -96.2 | -123.8 | 5.9 | 108.5 | |||||
| 6 | A | 34.3 | Very low | 35.4 | Very low | 96 Ų | 96 | 163.8 Ų | 163.8 | 79% | 0.793 | 84% | 0.836 | S | S | * | * | cis | 76.5 | 103.1 | 37.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 7 | G | 30.7 | Very low | 35.2 | Very low | 84 Ų | 84 | 162.2 Ų | 162.2 | 87% | 0.866 | 84% | 0.836 | S | S | * | * | trans | -178.3 | 148.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 8 | G | 31.1 | Very low | 35 | Very low | 69 Ų | 69 | 160.3 Ų | 160.3 | 71% | 0.711 | 84% | 0.837 | S | S | * | * | cis | 169.5 | 111.7 | -7.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | R10 | G8-R10 PolarHBondContact O-N 3.08Š| ||
| 9 | R | 41.9 | Very low | 34.9 | Very low | 252 Ų | 252 | 158.3 Ų | 158.3 | 95% | 0.951 | 84% | 0.838 | S | S | * | * | trans | -64.2 | 128.5 | -178.1 | -62 | -171.2 | -130.3 | -112.5 | 4.4 | 110.9 | ||||
| 10 | R | 41.7 | Very low | 34.9 | Very low | 239 Ų | 239 | 158.2 Ų | 158.2 | 90% | 0.902 | 84% | 0.838 | S | S | * | * | trans | -132.9 | 92 | 165.6 | -68.1 | -73.7 | -94.6 | -145.7 | -9.4 | 109.5 | G8 | G8-R10 PolarHBondContact O-N 3.08Š| ||
| 11 | Y | 33.5 | Very low | 35 | Very low | 230 Ų | 230 | 157.3 Ų | 157.3 | 90% | 0.902 | 84% | 0.838 | S | S | * | * | trans | -60.1 | 138.5 | 156.8 | -117.4 | -105.6 | 0 | 0 | 0 | 108.1 | ||||
| 12 | R | 40.1 | Very low | 35 | Very low | 232 Ų | 232 | 153.8 Ų | 153.8 | 88% | 0.875 | 82% | 0.824 | S | S | * | * | trans | -146.7 | 110.2 | 157.9 | -142.6 | 178.3 | -167.5 | -168.9 | 0.9 | 110.4 | ||||
| 13 | N | 32.2 | Very low | 35.1 | Very low | 144 Ų | 144 | 151.3 Ų | 151.3 | 77% | 0.77 | 82% | 0.821 | S | S | * | * | trans | -104.7 | 131.6 | 164.5 | -176.9 | 18.7 | 0 | 0 | 0 | 106.6 | ||||
| 14 | S | 34 | Very low | 35 | Very low | 90 Ų | 90 | 150.9 Ų | 150.9 | 63% | 0.629 | 83% | 0.825 | S | S | * | * | trans | -163.5 | 123.7 | -179.6 | 49.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 15 | L | 40.7 | Very low | 35.2 | Very low | 167 Ų | 167 | 153.1 Ų | 153.1 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | trans | -96.8 | 137.8 | 169.6 | -68 | 110 | 0 | 0 | 0 | 111.1 | ||||
| 16 | S | 32.8 | Very low | 34.6 | Very low | 106 Ų | 106 | 149.4 Ų | 149.4 | 74% | 0.741 | 83% | 0.827 | S | S | * | * | trans | -168.8 | 111.5 | 158.6 | 50.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 17 | V | 31.3 | Very low | 34.9 | Very low | 137 Ų | 137 | 148.6 Ų | 148.6 | 83% | 0.83 | 82% | 0.82 | S | S | * | * | 72.6 | 113.4 | 74.3 | 175.5 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 18 | C | 31.3 | Very low | 35.6 | Very low | 127 Ų | 127 | 150.6 Ų | 150.6 | 86% | 0.858 | 82% | 0.818 | S | S | * | * | trans | 22.2 | 130.2 | 160.9 | -53.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 19 | S | 34.1 | Very low | 35.6 | Very low | 122 Ų | 122 | 156.3 Ų | 156.3 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | -142.8 | 132.1 | 132.6 | 60.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 20 | D | 35.3 | Very low | 35.1 | Very low | 157 Ų | 157 | 149.9 Ų | 149.9 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | trans | -117.2 | 124.7 | -179 | 169.4 | 34 | 0 | 0 | 0 | 108.2 | ||||
| 21 | V | 37.3 | Very low | 34.7 | Very low | 139 Ų | 139 | 149.7 Ų | 149.7 | 84% | 0.842 | 81% | 0.81 | S | S | * | * | trans | -150.2 | 141.5 | 171.2 | -168.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 22 | D | 34 | Very low | 34.5 | Very low | 143 Ų | 143 | 144 Ų | 144 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | trans | -70.3 | 165.4 | -166.2 | -128.3 | -19 | 0 | 0 | 0 | 118.8 | ||||
| 23 | V | 35.4 | Very low | 34.1 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | 26.8 | 133.5 | 142.7 | 165.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 24 | G | 30.9 | Very low | 34.2 | Very low | 78 Ų | 78 | 143.5 Ų | 143.5 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -174.3 | 97 | 159.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 25 | Y | 36.9 | Very low | 34.1 | Very low | 239 Ų | 239 | 146.9 Ų | 146.9 | 94% | 0.937 | 81% | 0.805 | S | S | * | * | trans | -91.6 | 127.7 | 168 | -135.3 | -90.2 | 0 | 0 | 0 | 107.9 | ||||
| 26 | D | 28.2 | Very low | 33.6 | Very low | 152 Ų | 152 | 145.7 Ų | 145.7 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -165.1 | 158.9 | 137.9 | -146.4 | -8 | 0 | 0 | 0 | 112.3 | ||||
| 27 | A | 39.3 | Very low | 33.5 | Very low | 78 Ų | 78 | 145.9 Ų | 145.9 | 65% | 0.645 | 80% | 0.803 | S | S | * | * | trans | -149.3 | 117.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 28 | P | 45.5 | Very low | 33.4 | Very low | 127 Ų | 127 | 148.2 Ų | 148.2 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -87.3 | 151.2 | 171.9 | 33.7 | -32.2 | 0 | 0 | 0 | 112.1 | ||||
| 29 | E | 31.8 | Very low | 33.4 | Very low | 188 Ų | 188 | 146.5 Ų | 146.5 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | trans | -95.5 | -173.8 | -169 | -55.4 | 174.8 | 112.2 | 0 | 0 | 114 | ||||
| 30 | D | 30.1 | Very low | 33.1 | Very low | 117 Ų | 117 | 144.5 Ų | 144.5 | 63% | 0.626 | 80% | 0.799 | S | S | * | * | trans | 72 | 113.5 | 151 | -166.6 | 47.9 | 0 | 0 | 0 | 119.2 | V32 | D30-V32 PolarHBondContact OD1-N 3.42Š| ||
| 31 | R | 34 | Very low | 32.7 | Very low | 236 Ų | 236 | 140.7 Ų | 140.7 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | -152.8 | 117.4 | 105.4 | -108.3 | 167.7 | -166.3 | -177.9 | 4.3 | 115.1 | |||||
| 32 | V | 30 | Very low | 32.3 | Very low | 110 Ų | 110 | 139.3 Ų | 139.3 | 67% | 0.667 | 80% | 0.8 | S | S | * | * | trans | -57.8 | 128.7 | 167.4 | 174.1 | 0 | 0 | 0 | 0 | 111.8 | D30 | D30-V32 PolarHBondContact OD1-N 3.42Š| ||
| 33 | H | 32.1 | Very low | 32.6 | Very low | 185 Ų | 185 | 137.4 Ų | 137.4 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | -143.9 | 147.5 | 129.3 | -116.4 | 59.7 | 0 | 0 | 0 | 113 | |||||
| 34 | R | 32.5 | Very low | 32.7 | Very low | 180 Ų | 180 | 140.3 Ų | 140.3 | 68% | 0.679 | 81% | 0.809 | S | S | * | * | trans | -115.1 | 136.9 | -177.4 | 159.7 | -168.6 | 176.5 | -172.3 | 0.7 | 107 | E36 | R34-E36 IonicContact CZ-OE2 3.2Å; R34-E36 IonicContact NE-OE2 2.9Å; R34-E36 PolarHBondContact NE-OE2 2.9Å; R34-E36 IonicContact NH2-OE2 2.67Å; R34-E36 PolarHBondContact NH2-OE2 3.13Å | ||
| 35 | D | 32.1 | Very low | 33.4 | Very low | 161 Ų | 161 | 145.4 Ų | 145.4 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | trans | -155.3 | 155.4 | 144.3 | -105.9 | -38.6 | 0 | 0 | 0 | 110.7 | ||||
| 36 | E | 30.6 | Very low | 33.3 | Very low | 142 Ų | 142 | 140.2 Ų | 140.2 | 66% | 0.664 | 81% | 0.805 | S | S | * | * | trans | -115.9 | 127.9 | -170.1 | -67.9 | 160.5 | 72.5 | 0 | 0 | 110.5 | R34 | R34-E36 IonicContact CZ-OE2 3.2Å; R34-E36 IonicContact NE-OE2 2.9Å; R34-E36 PolarHBondContact NE-OE2 2.9Å; R34-E36 IonicContact NH2-OE2 2.67Å; R34-E36 PolarHBondContact NH2-OE2 3.13Å | ||
| 37 | A | 31.6 | Very low | 33.8 | Very low | 111 Ų | 111 | 141.5 Ų | 141.5 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | trans | -156.9 | 140.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 38 | E | 28.4 | Very low | 33.6 | Very low | 185 Ų | 185 | 144.2 Ų | 144.2 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | -105.7 | 160.9 | 179.8 | -157.2 | -164.5 | 120.1 | 0 | 0 | 111.4 | ||||
| 39 | A | 30.9 | Very low | 33 | Very low | 91 Ų | 91 | 143.7 Ų | 143.7 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | trans | 67.8 | 138.4 | 155.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 40 | G | 27.9 | Very low | 33.9 | Very low | 80 Ų | 80 | 139.4 Ų | 139.4 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | 135.9 | 52.4 | 136.6 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 41 | G | 27.4 | Very low | 34.5 | Very low | 77 Ų | 77 | 142.7 Ų | 142.7 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | trans | 75.8 | 175.3 | 135 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 42 | A | 29.3 | Very low | 35 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | 61.4 | 110.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 43 | A | 40.5 | Very low | 36.2 | Very low | 103 Ų | 103 | 135.1 Ų | 135.1 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | trans | -74.7 | 158.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 44 | E | 36.5 | Very low | 37 | Very low | 197 Ų | 197 | 132.3 Ų | 132.3 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | -143.6 | 168.5 | 128.8 | -142.7 | -176.5 | 178.8 | 0 | 0 | 110.3 | |||||
| 45 | E | 45.8 | Very low | 37.9 | Very low | 185 Ų | 185 | 129.3 Ų | 129.3 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -77.4 | 139.8 | -171.4 | -59.8 | -171.9 | 106.2 | 0 | 0 | 113.9 | ||||
| 46 | T | 35.7 | Very low | 38.9 | Very low | 130 Ų | 130 | 126.4 Ų | 126.4 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | trans | -165.1 | 118.1 | 142.3 | -85.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 47 | K | 38.5 | Very low | 40.3 | Very low | 179 Ų | 179 | 131.2 Ų | 131.2 | 78% | 0.778 | 82% | 0.817 | S | S | * | * | trans | 52.8 | 110.2 | 146.4 | -171.4 | -176.5 | -177.1 | -178.6 | 0 | 118.3 | S49 | K47-S49 PolarHBondContact O-N 3.34Š| ||
| 48 | P | 34.2 | Very low | 42 | Very low | 134 Ų | 134 | 132.3 Ų | 132.3 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | trans | -65.9 | 106.9 | 169.3 | 28.3 | -33.4 | 0 | 0 | 0 | 110.6 | ||||
| 49 | S | 32.3 | Very low | 44.1 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | trans | -72.6 | 135 | 168.1 | -165 | 0 | 0 | 0 | 0 | 109.5 | K47 | K47-S49 PolarHBondContact O-N 3.34Š| ||
| 50 | A | 50.9 | Low | 46.4 | Very low | 99 Ų | 99 | 128.6 Ų | 128.6 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -88.7 | 111.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 51 | E | 43.3 | Very low | 49 | Very low | 186 Ų | 186 | 128.9 Ų | 128.9 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | -143.4 | 64.6 | 161.5 | -157.3 | 162.1 | -175.9 | 0 | 0 | 112 | ||||
| 52 | A | 44.5 | Very low | 51.2 | Low | 84 Ų | 84 | 133 Ų | 133 | 69% | 0.694 | 77% | 0.769 | S | S | * | * | trans | -69.9 | 135.7 | 155.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 53 | P | 54.9 | Low | 53.5 | Low | 103 Ų | 103 | 134.6 Ų | 134.6 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | trans | -59 | 149.6 | -179.7 | 25.8 | -35.1 | 0 | 0 | 0 | 110.2 | T55 | P53-T55 PolarHBondContact O-N 2.62Š| ||
| 54 | P | 48.9 | Very low | 55.5 | Low | 126 Ų | 126 | 132.6 Ų | 132.6 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | trans | -60.4 | 98.5 | -171.5 | 23.9 | -34.4 | 0 | 0 | 0 | 110.8 | S56 | P54-S56 PolarHBondContact O-N 3Š| ||
| 55 | T | 52.3 | Low | 57.5 | Low | 116 Ų | 116 | 128.1 Ų | 128.1 | 71% | 0.712 | 71% | 0.714 | S | S | * | * | trans | -54.1 | 112 | 179.6 | 50 | 0 | 0 | 0 | 0 | 107.7 | P53 R57 | P53-T55 PolarHBondContact O-N 2.62Å; T55-R57 PolarHBondContact O-N 3.46Å | ||
| 56 | S | 52.6 | Low | 59 | Low | 101 Ų | 101 | 123.8 Ų | 123.8 | 71% | 0.706 | 69% | 0.692 | S | S | * | * | trans | -52.9 | 107.9 | -168.4 | -45.3 | 0 | 0 | 0 | 0 | 108.6 | P54 L58 | P54-S56 PolarHBondContact O-N 3Å; S56-L58 VanDerWaalsContact C-N 3.26Å; S56-L58 PolarHBondContact O-N 2.89Å | ||
| 57 | R | 61 | Low | 61 | Low | 242 Ų | 242 | 120.7 Ų | 120.7 | 91% | 0.913 | 68% | 0.676 | S | S | * | * | trans | -67.6 | 88.4 | -169.7 | -72.3 | -172.2 | 179.3 | -176.1 | 0.8 | 109 | T55 C59 | T55-R57 PolarHBondContact O-N 3.46Å; R57-C59 PolarHBondContact O-N 2.82Å | ||
| 58 | L | 65.8 | Low | 63.1 | Low | 134 Ų | 134 | 118 Ų | 118 | 70% | 0.702 | 67% | 0.669 | S | S | * | * | trans | -55.8 | 113.6 | 176.8 | -61.8 | -179.6 | 0 | 0 | 0 | 106.6 | S56 L60 | S56-L58 VanDerWaalsContact C-N 3.26Å; S56-L58 PolarHBondContact O-N 2.89Å; L58-L60 HydrophobicContact CB-CD1 4.47Å; L58-L60 HydrophobicContact CB-CD2 4.1Å; L58-L60 HydrophobicContact CB-CG 3.89Å; L58-L60 PolarHBondContact O-N 2.81Å | ||
| 59 | C | 73.8 | Confident | 65.3 | Low | 133 Ų | 133 | 114.7 Ų | 114.7 | 90% | 0.899 | 64% | 0.644 | S | S | * | * | trans | -75.5 | 66.9 | 178.4 | -163.7 | 0 | 0 | 0 | 0 | 108.8 | R57 | R57-C59 PolarHBondContact O-N 2.82Š| ||
| 60 | L | 77.4 | Confident | 67.5 | Low | 65 Ų | 65 | 112.9 Ų | 112.9 | 34% | 0.34 | 64% | 0.644 | S | S | . | * | trans | -69.4 | 136.2 | 177.4 | -61.2 | 179.1 | 0 | 0 | 0 | 108.1 | L58 V64 L68 | L58-L60 HydrophobicContact CB-CD1 4.47Å; L58-L60 HydrophobicContact CB-CD2 4.1Å; L58-L60 HydrophobicContact CB-CG 3.89Å; L58-L60 PolarHBondContact O-N 2.81Å; L60-V64 HydrophobicContact CB-CB 4.3Å; L60-V64 HydrophobicContact CB-CG1 4.26Å; L60-V64 HydrophobicContact CD1-CG1 4.28Å; L60-V64 HydrophobicContact CD2-CG1 4.47Å; L60-L68 HydrophobicContact CD1-CD1 3.67Å | ||
| 61 | P | 83.9 | Confident | 69.1 | Low | 86 Ų | 86 | 115.9 Ų | 115.9 | 56% | 0.558 | 65% | 0.647 | S | S | * | * | trans | -52.8 | 145 | 173.5 | -25.8 | 34 | 0 | 0 | 0 | 110.8 | K63 V64 L65 | P61-K63 PolarHBondContact O-N 2.9Å; P61-V64 HydrophobicContact CB-CG2 4.27Å; P61-V64 HydrophobicContact CG-CG2 4.31Å; P61-V64 WeakPolarHBondContact O-CA 3.12Å; P61-V64 WeakPolarHBondContact O-CB 3.42Å; P61-V64 PolarHBondContact O-N 2.92Å; P61-L65 PolarHBondContact O-N 2.82Å | ||
| 62 | Y | 73.8 | Confident | 70.9 | Confident | 163 Ų | 163 | 110.3 Ų | 110.3 | 64% | 0.639 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -52.1 | -36.6 | -177.2 | -179.4 | -103.2 | 0 | 0 | 0 | 113.3 | V64 L65 K66 | Y62-V64 VanDerWaalsContact C-N 3.27Å; Y62-V64 PolarHBondContact O-N 2.95Å; Y62-L65 PolarHBondContact O-N 2.83Å; Y62-K66 HydrophobicContact CE1-CD 3.87Å; Y62-K66 WeakPolarHBondContact O-CB 3.45Å; Y62-K66 PolarHBondContact O-N 2.91Å; Y62-K66 WeakPolarHBondContact OH-CE 3.35Å; Y62-K66 PolarHBondContact OH-NZ 2.89Å; Y62-K66 VanDerWaalsContact OH-NZ 3.12Å |
| 63 | K | 76.8 | Confident | 72.6 | Confident | 145 Ų | 145 | 115.4 Ų | 115.4 | 63% | 0.63 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -59.7 | -30.6 | 173.1 | -77.9 | -165.8 | 173.1 | -166 | 0 | 114.3 | P61 S67 R74 | P61-K63 PolarHBondContact O-N 2.9Å; K63-S67 PolarHBondContact O-OG 3.22Å; K63-S67 VanDerWaalsContact O-OG 3.05Å; K63-R74 PolarHBondContact O-NH1 2.8Å |
| 64 | V | 81.9 | Confident | 73.9 | Confident | 60 Ų | 60 | 114.1 Ų | 114.1 | 36% | 0.364 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -87.3 | -40.4 | 179.4 | -179.7 | 0 | 0 | 0 | 0 | 110.5 | L60 P61 Y62 K66 S67 L68 | L60-V64 HydrophobicContact CB-CB 4.3Å; L60-V64 HydrophobicContact CB-CG1 4.26Å; L60-V64 HydrophobicContact CD1-CG1 4.28Å; L60-V64 HydrophobicContact CD2-CG1 4.47Å; P61-V64 HydrophobicContact CB-CG2 4.27Å; P61-V64 HydrophobicContact CG-CG2 4.31Å; P61-V64 WeakPolarHBondContact O-CA 3.12Å; P61-V64 WeakPolarHBondContact O-CB 3.42Å; P61-V64 PolarHBondContact O-N 2.92Å; Y62-V64 VanDerWaalsContact C-N 3.27Å; Y62-V64 PolarHBondContact O-N 2.95Å; V64-K66 VanDerWaalsContact C-N 3.27Å; V64-K66 PolarHBondContact O-N 2.83Å; V64-S67 WeakPolarHBondContact O-CA 3.44Å; V64-S67 WeakPolarHBondContact O-CB 3Å; V64-S67 PolarHBondContact O-N 3.07Å; V64-L68 HydrophobicContact CG1-CD1 4.25Å; V64-L68 WeakPolarHBondContact O-CG 3.45Å; V64-L68 PolarHBondContact O-N 3.19Å |
| 65 | L | 79.6 | Confident | 75.6 | Confident | 104 Ų | 104 | 111 Ų | 111 | 55% | 0.545 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -58.4 | -43 | 173.7 | -172.4 | 62.2 | 0 | 0 | 0 | 110.7 | P61 Y62 S67 L68 D69 | P61-L65 PolarHBondContact O-N 2.82Å; Y62-L65 PolarHBondContact O-N 2.83Å; L65-S67 PolarHBondContact O-N 2.72Å; L65-L68 PolarHBondContact O-N 2.93Å; L65-L68 VanDerWaalsContact O-N 3.15Å; L65-D69 PolarHBondContact O-N 3.15Å |
| 66 | K | 77.4 | Confident | 77.1 | Confident | 93 Ų | 93 | 109.7 Ų | 109.7 | 40% | 0.404 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.2 | -0 | 170.4 | -92.2 | -165.8 | 162.1 | 178.7 | 0 | 116.1 | Y62 V64 R74 | Y62-K66 HydrophobicContact CE1-CD 3.87Å; Y62-K66 WeakPolarHBondContact O-CB 3.45Å; Y62-K66 PolarHBondContact O-N 2.91Å; Y62-K66 WeakPolarHBondContact OH-CE 3.35Å; Y62-K66 PolarHBondContact OH-NZ 2.89Å; Y62-K66 VanDerWaalsContact OH-NZ 3.12Å; V64-K66 VanDerWaalsContact C-N 3.27Å; V64-K66 PolarHBondContact O-N 2.83Å; K66-R74 PolarHBondContact O-NH1 3.46Å |
| 67 | S | 77.9 | Confident | 78.5 | Confident | 65 Ų | 65 | 112.2 Ų | 112.2 | 46% | 0.455 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.6 | -15.5 | 166.7 | -60.9 | 0 | 0 | 0 | 0 | 112.6 | K63 V64 L65 R74 | K63-S67 PolarHBondContact O-OG 3.22Å; K63-S67 VanDerWaalsContact O-OG 3.05Å; V64-S67 WeakPolarHBondContact O-CA 3.44Å; V64-S67 WeakPolarHBondContact O-CB 3Å; V64-S67 PolarHBondContact O-N 3.07Å; L65-S67 PolarHBondContact O-N 2.72Å; S67-R74 PolarHBondContact OG-NH1 2.91Å |
| 68 | L | 81.7 | Confident | 79.6 | Confident | 122 Ų | 122 | 104.8 Ų | 104.8 | 64% | 0.639 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -108.9 | 4.8 | -173.4 | -61.7 | 171.6 | 0 | 0 | 0 | 112.1 | L60 V64 L65 G70 | L60-L68 HydrophobicContact CD1-CD1 3.67Å; V64-L68 HydrophobicContact CG1-CD1 4.25Å; V64-L68 WeakPolarHBondContact O-CG 3.45Å; V64-L68 PolarHBondContact O-N 3.19Å; L65-L68 PolarHBondContact O-N 2.93Å; L65-L68 VanDerWaalsContact O-N 3.15Å; L68-G70 PolarHBondContact O-N 2.95Å |
| 69 | D | 80.6 | Confident | 80.5 | Confident | 65 Ų | 65 | 101 Ų | 101 | 35% | 0.348 | 53% | 0.529 | S | S | . | . | trans | -83.6 | 105.5 | 177.9 | -169.4 | -23.9 | 0 | 0 | 0 | 108.7 | L65 D71 V72 | L65-D69 PolarHBondContact O-N 3.15Å; D69-D71 VanDerWaalsContact C-N 3.3Å; D69-D71 PolarHBondContact OD1-N 2.89Å; D69-V72 HydrophobicContact CB-CB 4.17Å; D69-V72 HydrophobicContact CB-CG2 4.45Å; D69-V72 VanDerWaalsContact CG-CG2 3.49Å; D69-V72 PolarHBondContact OD1-N 3.21Å; D69-V72 VanDerWaalsContact OD2-CG2 3.28Å; D69-V72 WeakPolarHBondContact OD2-CG2 3.45Å | ||
| 70 | G | 79.7 | Confident | 81 | Confident | 78 Ų | 78 | 99.1 Ų | 99.1 | 80% | 0.804 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -73.6 | -21 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | L68 | L68-G70 PolarHBondContact O-N 2.95Š|
| 71 | D | 84.4 | Confident | 81.5 | Confident | 163 Ų | 163 | 100.9 Ų | 100.9 | 87% | 0.872 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -87.6 | -12.6 | -179.5 | -59.8 | -38.8 | 0 | 0 | 0 | 111.8 | D69 | D69-D71 VanDerWaalsContact C-N 3.3Å; D69-D71 PolarHBondContact OD1-N 2.89Å |
| 72 | V | 80.1 | Confident | 81.6 | Confident | 68 Ų | 68 | 100.4 Ų | 100.4 | 41% | 0.412 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -108.7 | 99.5 | -179.7 | 177.7 | 0 | 0 | 0 | 0 | 110.7 | D69 R74 | D69-V72 HydrophobicContact CB-CB 4.17Å; D69-V72 HydrophobicContact CB-CG2 4.45Å; D69-V72 VanDerWaalsContact CG-CG2 3.49Å; D69-V72 PolarHBondContact OD1-N 3.21Å; D69-V72 VanDerWaalsContact OD2-CG2 3.28Å; D69-V72 WeakPolarHBondContact OD2-CG2 3.45Å; V72-R74 PolarHBondContact O-N 2.67Å; V72-R74 VanDerWaalsContact O-N 3.12Å |
| 73 | Y | 80.1 | Confident | 81.9 | Confident | 192 Ų | 192 | 96.6 Ų | 96.6 | 75% | 0.753 | 50% | 0.497 | S | S | * | . | trans | -56.3 | 120 | 170.2 | 173 | -101.7 | 0 | 0 | 0 | 110.9 | N75 | Y73-N75 HydrophobicContact CE1-CB 3.9Š| ||
| 74 | R | 81.5 | Confident | 82 | Confident | 76 Ų | 76 | 93 Ų | 93 | 29% | 0.287 | 49% | 0.487 | S | S | . | . | trans | -117 | 114.7 | 176.1 | -175.4 | 173.7 | -178.1 | 178.2 | -5.4 | 109.8 | K63 K66 S67 V72 L76 D79 | K63-R74 PolarHBondContact O-NH1 2.8Å; K66-R74 PolarHBondContact O-NH1 3.46Å; S67-R74 PolarHBondContact OG-NH1 2.91Å; V72-R74 PolarHBondContact O-N 2.67Å; V72-R74 VanDerWaalsContact O-N 3.12Å; R74-L76 VanDerWaalsContact C-N 3.33Å; R74-L76 HydrophobicContact CG-CD2 4.09Å; R74-L76 PolarHBondContact O-N 2.65Å; R74-D79 IonicContact CZ-OD2 3.16Å; R74-D79 IonicContact NE-OD2 2.76Å; R74-D79 PolarHBondContact NE-OD2 2.96Å; R74-D79 IonicContact NH2-OD2 2.71Å; R74-D79 PolarHBondContact NH2-OD2 3.33Å | ||
| 75 | N | 85.5 | Confident | 81.8 | Confident | 60 Ų | 60 | 91.5 Ų | 91.5 | 32% | 0.321 | 48% | 0.479 | S | S | . | . | trans | -73.4 | 88.6 | 173.1 | -170.5 | -25.6 | 0 | 0 | 0 | 110.1 | Y73 E77 F78 D79 | Y73-N75 HydrophobicContact CE1-CB 3.9Å; N75-E77 VanDerWaalsContact C-N 3.26Å; N75-E77 PolarHBondContact O-N 3.05Å; N75-E77 WeakPolarHBondContact OD1-CB 3.3Å; N75-E77 PolarHBondContact OD1-N 2.82Å; N75-F78 HydrophobicContact CB-CB 4Å; N75-F78 PolarHBondContact O-N 3.33Å; N75-F78 PolarHBondContact OD1-N 3.22Å; N75-D79 PolarHBondContact O-N 3Å | ||
| 76 | L | 83.9 | Confident | 81.6 | Confident | 89 Ų | 89 | 91.7 Ų | 91.7 | 47% | 0.466 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.3 | -30.8 | 178.6 | -66.4 | 174.1 | 0 | 0 | 0 | 112.4 | R74 D79 V80 | R74-L76 VanDerWaalsContact C-N 3.33Å; R74-L76 HydrophobicContact CG-CD2 4.09Å; R74-L76 PolarHBondContact O-N 2.65Å; L76-D79 PolarHBondContact O-N 2.89Å; L76-V80 WeakPolarHBondContact O-CB 3.15Å; L76-V80 VanDerWaalsContact O-CG2 3.29Å; L76-V80 WeakPolarHBondContact O-CG2 3.27Å; L76-V80 PolarHBondContact O-N 3.2Å |
| 77 | E | 80.8 | Confident | 81.3 | Confident | 154 Ų | 154 | 93.1 Ų | 93.1 | 72% | 0.72 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.6 | -42.7 | 175.9 | -55.3 | -174 | 155.7 | 0 | 0 | 110.9 | N75 W81 | N75-E77 VanDerWaalsContact C-N 3.26Å; N75-E77 PolarHBondContact O-N 3.05Å; N75-E77 WeakPolarHBondContact OD1-CB 3.3Å; N75-E77 PolarHBondContact OD1-N 2.82Å; E77-W81 WeakPolarHBondContact O-CB 3.36Å; E77-W81 PolarHBondContact O-N 2.87Å |
| 78 | F | 84.1 | Confident | 80.5 | Confident | 85 Ų | 85 | 95.6 Ų | 95.6 | 37% | 0.373 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.6 | -39.6 | 176 | -178.2 | -101.8 | 0 | 0 | 0 | 112.5 | N75 W81 Q82 | N75-F78 HydrophobicContact CB-CB 4Å; N75-F78 PolarHBondContact O-N 3.33Å; N75-F78 PolarHBondContact OD1-N 3.22Å; F78-W81 AromaticContact CD2-CE3 3.78Å; F78-W81 HydrophobicContact CD2-CE3 3.78Å; F78-W81 HydrophobicContact CD2-CZ3 4.11Å; F78-W81 AromaticContact CE2-CE3 3.74Å; F78-W81 HydrophobicContact CE2-CE3 3.74Å; F78-W81 AromaticContact CE2-CZ3 3.59Å; F78-W81 HydrophobicContact CE2-CZ3 3.59Å; F78-W81 HydrophobicContact CZ-CZ3 4.38Å; F78-W81 PolarHBondContact O-N 2.98Å; F78-Q82 HydrophobicContact CD1-CG 4.14Å; F78-Q82 HydrophobicContact CD2-CG 4.49Å; F78-Q82 HydrophobicContact CE1-CG 3.77Å; F78-Q82 HydrophobicContact CE2-CG 4.15Å; F78-Q82 HydrophobicContact CG-CG 4.5Å; F78-Q82 HydrophobicContact CZ-CG 3.77Å; F78-Q82 VanDerWaalsContact O-CB 3.3Å; F78-Q82 WeakPolarHBondContact O-CB 3.49Å; F78-Q82 VanDerWaalsContact O-CG 3.23Å; F78-Q82 WeakPolarHBondContact O-CG 3.25Å; F78-Q82 PolarHBondContact O-N 2.88Å |
| 79 | D | 85.1 | Confident | 79.5 | Confident | 54 Ų | 54 | 96.8 Ų | 96.8 | 29% | 0.289 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 174.8 | -94.1 | 4.3 | 0 | 0 | 0 | 111.7 | R74 N75 L76 Q82 D83 | R74-D79 IonicContact CZ-OD2 3.16Å; R74-D79 IonicContact NE-OD2 2.76Å; R74-D79 PolarHBondContact NE-OD2 2.96Å; R74-D79 IonicContact NH2-OD2 2.71Å; R74-D79 PolarHBondContact NH2-OD2 3.33Å; N75-D79 PolarHBondContact O-N 3Å; L76-D79 PolarHBondContact O-N 2.89Å; D79-Q82 PolarHBondContact O-N 3.47Å; D79-D83 PolarHBondContact O-N 3.38Å |
| 80 | V | 85.3 | Confident | 78.5 | Confident | 94 Ų | 94 | 99.8 Ų | 99.8 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.2 | -46.5 | 175.5 | 171 | 0 | 0 | 0 | 0 | 110.4 | L76 Q82 D83 T84 | L76-V80 WeakPolarHBondContact O-CB 3.15Å; L76-V80 VanDerWaalsContact O-CG2 3.29Å; L76-V80 WeakPolarHBondContact O-CG2 3.27Å; L76-V80 PolarHBondContact O-N 3.2Å; V80-Q82 VanDerWaalsContact C-N 3.29Å; V80-Q82 PolarHBondContact O-N 2.83Å; V80-D83 PolarHBondContact O-N 2.92Å; V80-D83 VanDerWaalsContact O-N 3.14Å; V80-T84 WeakPolarHBondContact O-CB 3.44Å; V80-T84 PolarHBondContact O-N 2.96Å; V80-T84 PolarHBondContact O-OG1 3.31Å; V80-T84 VanDerWaalsContact O-OG1 3.08Å |
| 81 | W | 88.4 | Confident | 77.3 | Confident | 103 Ų | 103 | 100.2 Ų | 100.2 | 39% | 0.39 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.7 | -40.4 | 175.7 | 175.5 | 78 | 0 | 0 | 0 | 112.1 | E77 F78 T84 C85 P216 | E77-W81 WeakPolarHBondContact O-CB 3.36Å; E77-W81 PolarHBondContact O-N 2.87Å; F78-W81 AromaticContact CD2-CE3 3.78Å; F78-W81 HydrophobicContact CD2-CE3 3.78Å; F78-W81 HydrophobicContact CD2-CZ3 4.11Å; F78-W81 AromaticContact CE2-CE3 3.74Å; F78-W81 HydrophobicContact CE2-CE3 3.74Å; F78-W81 AromaticContact CE2-CZ3 3.59Å; F78-W81 HydrophobicContact CE2-CZ3 3.59Å; F78-W81 HydrophobicContact CZ-CZ3 4.38Å; F78-W81 PolarHBondContact O-N 2.98Å; W81-T84 PolarHBondContact O-N 2.79Å; W81-C85 WeakPolarHBondContact O-CB 3.41Å; W81-C85 PolarHBondContact O-N 2.99Å; W81-C85 PolarHBondContact O-SG 2.84Å; W81-C85 VanDerWaalsContact O-SG 3.36Å; W81-P216 HydrophobicContact CH2-CB 4.29Å; W81-P216 HydrophobicContact CH2-CG 4.27Å; W81-P216 HydrophobicContact CZ2-CB 3.81Å; W81-P216 HydrophobicContact CZ2-CG 4.19Å |
| 82 | Q | 84.4 | Confident | 76.4 | Confident | 75 Ų | 75 | 96.4 Ų | 96.4 | 35% | 0.35 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 175.2 | -79.6 | -117.2 | 73 | 0 | 0 | 113.1 | F78 D79 V80 C85 K86 | F78-Q82 HydrophobicContact CD1-CG 4.14Å; F78-Q82 HydrophobicContact CD2-CG 4.49Å; F78-Q82 HydrophobicContact CE1-CG 3.77Å; F78-Q82 HydrophobicContact CE2-CG 4.15Å; F78-Q82 HydrophobicContact CG-CG 4.5Å; F78-Q82 HydrophobicContact CZ-CG 3.77Å; F78-Q82 VanDerWaalsContact O-CB 3.3Å; F78-Q82 WeakPolarHBondContact O-CB 3.49Å; F78-Q82 VanDerWaalsContact O-CG 3.23Å; F78-Q82 WeakPolarHBondContact O-CG 3.25Å; F78-Q82 PolarHBondContact O-N 2.88Å; D79-Q82 PolarHBondContact O-N 3.47Å; V80-Q82 VanDerWaalsContact C-N 3.29Å; V80-Q82 PolarHBondContact O-N 2.83Å; Q82-C85 PolarHBondContact O-N 3.04Å; Q82-K86 WeakPolarHBondContact O-CD 3.48Å; Q82-K86 WeakPolarHBondContact O-CE 3.36Å; Q82-K86 VanDerWaalsContact O-CG 3.28Å; Q82-K86 WeakPolarHBondContact O-CG 3.2Å; Q82-K86 PolarHBondContact O-N 2.9Å; Q82-K86 VanDerWaalsContact O-N 3.13Å |
| 83 | D | 81.3 | Confident | 76.2 | Confident | 83 Ų | 83 | 97.5 Ų | 97.5 | 44% | 0.444 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -72.1 | -36.8 | 175.7 | -77.7 | -8.3 | 0 | 0 | 0 | 111.3 | D79 V80 K86 E87 | D79-D83 PolarHBondContact O-N 3.38Å; V80-D83 PolarHBondContact O-N 2.92Å; V80-D83 VanDerWaalsContact O-N 3.14Å; D83-K86 PolarHBondContact O-N 3.42Å; D83-K86 IonicContact OD1-NZ 2.62Å; D83-K86 PolarHBondContact OD1-NZ 3.48Å; D83-E87 WeakPolarHBondContact O-CB 3.49Å; D83-E87 PolarHBondContact O-N 2.77Å |
| 84 | T | 79.3 | Confident | 76.1 | Confident | 70 Ų | 70 | 89.6 Ų | 89.6 | 43% | 0.429 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.9 | -37.6 | 169.7 | -59.2 | 0 | 0 | 0 | 0 | 112.5 | V80 W81 E87 M88 | V80-T84 WeakPolarHBondContact O-CB 3.44Å; V80-T84 PolarHBondContact O-N 2.96Å; V80-T84 PolarHBondContact O-OG1 3.31Å; V80-T84 VanDerWaalsContact O-OG1 3.08Å; W81-T84 PolarHBondContact O-N 2.79Å; T84-E87 PolarHBondContact O-N 3.34Å; T84-M88 WeakPolarHBondContact O-CB 3.45Å; T84-M88 PolarHBondContact O-N 3.19Å |
| 85 | C | 77.1 | Confident | 76.2 | Confident | 28 Ų | 28 | 90.5 Ų | 90.5 | 19% | 0.189 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -66.5 | -36.9 | 174.6 | -80.8 | 0 | 0 | 0 | 0 | 112.3 | W81 Q82 E87 Q89 | W81-C85 WeakPolarHBondContact O-CB 3.41Å; W81-C85 PolarHBondContact O-N 2.99Å; W81-C85 PolarHBondContact O-SG 2.84Å; W81-C85 VanDerWaalsContact O-SG 3.36Å; Q82-C85 PolarHBondContact O-N 3.04Å; C85-E87 VanDerWaalsContact C-N 3.33Å; C85-Q89 WeakPolarHBondContact O-CB 3.2Å; C85-Q89 VanDerWaalsContact O-CG 3.31Å; C85-Q89 WeakPolarHBondContact O-CG 3.49Å; C85-Q89 PolarHBondContact O-N 2.98Å |
| 86 | K | 74.4 | Confident | 76 | Confident | 108 Ų | 108 | 90.5 Ų | 90.5 | 47% | 0.47 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.6 | -34.9 | 172 | -65.6 | 159.7 | -150.6 | 155.9 | 0 | 111.7 | Q82 D83 K90 | Q82-K86 WeakPolarHBondContact O-CD 3.48Å; Q82-K86 WeakPolarHBondContact O-CE 3.36Å; Q82-K86 VanDerWaalsContact O-CG 3.28Å; Q82-K86 WeakPolarHBondContact O-CG 3.2Å; Q82-K86 PolarHBondContact O-N 2.9Å; Q82-K86 VanDerWaalsContact O-N 3.13Å; D83-K86 PolarHBondContact O-N 3.42Å; D83-K86 IonicContact OD1-NZ 2.62Å; D83-K86 PolarHBondContact OD1-NZ 3.48Å; K86-K90 WeakPolarHBondContact O-CB 3.42Å; K86-K90 PolarHBondContact O-N 2.92Å |
| 87 | E | 71.8 | Confident | 75.8 | Confident | 123 Ų | 123 | 90.1 Ų | 90.1 | 58% | 0.575 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -73 | -36.3 | 176.5 | -173.6 | 158.2 | -132.9 | 0 | 0 | 112.4 | D83 T84 C85 K90 T91 | D83-E87 WeakPolarHBondContact O-CB 3.49Å; D83-E87 PolarHBondContact O-N 2.77Å; T84-E87 PolarHBondContact O-N 3.34Å; C85-E87 VanDerWaalsContact C-N 3.33Å; E87-K90 CarbonylContact O-C 3.33Å; E87-K90 VanDerWaalsContact O-CA 3.31Å; E87-K90 WeakPolarHBondContact O-CA 3.47Å; E87-K90 VanDerWaalsContact O-CB 3.27Å; E87-K90 WeakPolarHBondContact O-CB 3.4Å; E87-K90 PolarHBondContact O-N 3.37Å; E87-T91 PolarHBondContact O-N 3.16Å |
| 88 | M | 61.7 | Low | 75.8 | Confident | 118 Ų | 118 | 86.4 Ų | 86.4 | 58% | 0.581 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -71.2 | -35.5 | 173.8 | -167.6 | 168.6 | 65.7 | 0 | 0 | 111.9 | T84 K90 T91 | T84-M88 WeakPolarHBondContact O-CB 3.45Å; T84-M88 PolarHBondContact O-N 3.19Å; M88-K90 PolarHBondContact O-N 2.79Å; M88-K90 VanDerWaalsContact O-N 3.1Å; M88-T91 PolarHBondContact O-N 3.24Å; M88-T91 VanDerWaalsContact O-N 3.16Å; M88-T91 PolarHBondContact O-OG1 2.92Å |
| 89 | Q | 60.3 | Low | 75.8 | Confident | 146 Ų | 146 | 89.1 Ų | 89.1 | 68% | 0.682 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -13 | 165.9 | -74.6 | 173.6 | -0.8 | 0 | 0 | 113.2 | C85 | C85-Q89 WeakPolarHBondContact O-CB 3.2Å; C85-Q89 VanDerWaalsContact O-CG 3.31Å; C85-Q89 WeakPolarHBondContact O-CG 3.49Å; C85-Q89 PolarHBondContact O-N 2.98Å |
| 90 | K | 58.6 | Low | 75.9 | Confident | 128 Ų | 128 | 91.3 Ų | 91.3 | 56% | 0.557 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | 5.6 | 178.9 | -164.9 | -151.6 | 167.3 | -163.5 | 0 | 112.5 | K86 E87 M88 Y93 | K86-K90 WeakPolarHBondContact O-CB 3.42Å; K86-K90 PolarHBondContact O-N 2.92Å; E87-K90 CarbonylContact O-C 3.33Å; E87-K90 VanDerWaalsContact O-CA 3.31Å; E87-K90 WeakPolarHBondContact O-CA 3.47Å; E87-K90 VanDerWaalsContact O-CB 3.27Å; E87-K90 WeakPolarHBondContact O-CB 3.4Å; E87-K90 PolarHBondContact O-N 3.37Å; M88-K90 PolarHBondContact O-N 2.79Å; M88-K90 VanDerWaalsContact O-N 3.1Å; K90-Y93 WeakPolarHBondContact O-CD1 3.42Å; K90-Y93 VanDerWaalsContact O-CE1 3.24Å; K90-Y93 WeakPolarHBondContact O-CE1 3.34Å |
| 91 | T | 55.7 | Low | 75.9 | Confident | 88 Ų | 88 | 87.4 Ų | 87.4 | 54% | 0.54 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -36.5 | 164.6 | 55.5 | 0 | 0 | 0 | 0 | 111.5 | E87 M88 Y93 | E87-T91 PolarHBondContact O-N 3.16Å; M88-T91 PolarHBondContact O-N 3.24Å; M88-T91 VanDerWaalsContact O-N 3.16Å; M88-T91 PolarHBondContact O-OG1 2.92Å; T91-Y93 VanDerWaalsContact C-N 3.32Å; T91-Y93 PolarHBondContact O-N 3.12Å |
| 92 | D | 65.2 | Low | 75.8 | Confident | 82 Ų | 82 | 85.5 Ų | 85.5 | 44% | 0.439 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -93.9 | 61.1 | -166.9 | -62.4 | 10.6 | 0 | 0 | 0 | 111.4 | L103 | D92-L103 HydrophobicContact CB-CD1 3.8Å; D92-L103 HydrophobicContact CB-CG 4.39Å |
| 93 | Y | 74.9 | Confident | 75.9 | Confident | 92 Ų | 92 | 85.8 Ų | 85.8 | 36% | 0.361 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 145.1 | 173.2 | 74 | -88.1 | 0 | 0 | 0 | 112.1 | K90 T91 V95 Q100 Y101 F102 | K90-Y93 WeakPolarHBondContact O-CD1 3.42Å; K90-Y93 VanDerWaalsContact O-CE1 3.24Å; K90-Y93 WeakPolarHBondContact O-CE1 3.34Å; T91-Y93 VanDerWaalsContact C-N 3.32Å; T91-Y93 PolarHBondContact O-N 3.12Å; Y93-V95 HydrophobicContact CD2-CG2 4.08Å; Y93-V95 HydrophobicContact CE2-CG2 3.76Å; Y93-Q100 HydrophobicContact CD2-CB 4.16Å; Y93-Q100 HydrophobicContact CD2-CG 3.81Å; Y93-Q100 VanDerWaalsContact CD2-NE2 3.33Å; Y93-Q100 HydrophobicContact CE2-CG 3.98Å; Y93-Y101 CarbonylContact C-O 3.56Å; Y93-Y101 WeakPolarHBondContact CA-O 3.38Å; Y93-Y101 WeakPolarHBondContact CB-O 3.45Å; Y93-F102 HydrophobicContact CD1-CE1 4.23Å; Y93-F102 HydrophobicContact CG-CE1 4.14Å |
| 94 | M | 79.2 | Confident | 76.2 | Confident | 25 Ų | 25 | 84.1 Ų | 84.1 | 12% | 0.123 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 157.2 | 166.6 | 60.3 | 170.7 | 69.2 | 0 | 0 | 110.9 | Q100 Y101 V125 V132 L147 | M94-Q100 CarbonylContact O-C 3.56Å; M94-Q100 WeakPolarHBondContact O-CA 3.3Å; M94-Y101 HydrophobicContact CG-CD2 4.4Å; M94-Y101 PolarHBondContact N-O 2.95Å; M94-Y101 PolarHBondContact O-N 3.06Å; M94-V125 HydrophobicContact CB-CG1 3.83Å; M94-V125 HydrophobicContact CE-CB 4.37Å; M94-V125 HydrophobicContact CE-CG1 4.07Å; M94-V125 HydrophobicContact CE-CG2 4.38Å; M94-V125 HydrophobicContact CG-CG1 4.14Å; M94-V132 HydrophobicContact CE-CB 3.81Å; M94-V132 HydrophobicContact CE-CG2 3.58Å; M94-V132 HydrophobicContact SD-CB 4.39Å; M94-V132 HydrophobicContact SD-CG2 4.33Å; M94-L147 HydrophobicContact SD-CD2 3.67Å |
| 95 | V | 83.8 | Confident | 76.7 | Confident | 96 Ų | 96 | 83.6 Ų | 83.6 | 58% | 0.582 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 114.9 | 168.5 | -175.4 | 0 | 0 | 0 | 0 | 109 | Y93 R99 Q100 | Y93-V95 HydrophobicContact CD2-CG2 4.08Å; Y93-V95 HydrophobicContact CE2-CG2 3.76Å; V95-R99 CarbonylContact C-O 3.59Å; V95-R99 VanDerWaalsContact CA-O 3.3Å; V95-R99 WeakPolarHBondContact CA-O 3Å; V95-Q100 HydrophobicContact CG2-CG 4.18Å |
| 96 | F | 80.8 | Confident | 77.4 | Confident | 60 Ų | 60 | 87.9 Ų | 87.9 | 26% | 0.263 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 140.7 | 173.6 | 176.5 | -104.5 | 0 | 0 | 0 | 110.7 | G98 R99 Y101 L147 | F96-G98 PolarHBondContact O-N 3Å; F96-R99 PolarHBondContact N-O 3.06Å; F96-R99 PolarHBondContact O-N 2.91Å; F96-Y101 HydrophobicContact CB-CD2 4.27Å; F96-Y101 HydrophobicContact CB-CE2 3.94Å; F96-Y101 HydrophobicContact CD1-CE2 4.39Å; F96-L147 HydrophobicContact CB-CD1 4.35Å; F96-L147 HydrophobicContact CB-CD2 4.4Å; F96-L147 HydrophobicContact CD1-CB 4Å; F96-L147 HydrophobicContact CD2-CB 3.66Å; F96-L147 HydrophobicContact CD2-CD1 3.75Å; F96-L147 HydrophobicContact CD2-CG 4.22Å; F96-L147 HydrophobicContact CE1-CB 3.92Å; F96-L147 WeakPolarHBondContact CE1-O 3.42Å; F96-L147 HydrophobicContact CE2-CB 3.57Å; F96-L147 HydrophobicContact CE2-CD1 4.35Å; F96-L147 HydrophobicContact CG-CB 3.88Å; F96-L147 HydrophobicContact CG-CD1 4.1Å; F96-L147 HydrophobicContact CG-CD2 4.27Å; F96-L147 HydrophobicContact CG-CG 4.31Å; F96-L147 HydrophobicContact CZ-CB 3.71Å; F96-L147 WeakPolarHBondContact CZ-O 3.28Å |
| 97 | A | 80.5 | Confident | 78.2 | Confident | 81 Ų | 81 | 82.8 Ų | 82.8 | 67% | 0.669 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 33.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R99 | A97-R99 VanDerWaalsContact C-N 3.31Å; A97-R99 PolarHBondContact O-N 2.89Å |
| 98 | G | 81 | Confident | 79.3 | Confident | 76 Ų | 76 | 80.1 Ų | 80.1 | 78% | 0.784 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 11.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | F96 | F96-G98 PolarHBondContact O-N 3Š|
| 99 | R | 83.5 | Confident | 80.8 | Confident | 141 Ų | 141 | 74.5 Ų | 74.5 | 53% | 0.532 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 141.2 | 177.5 | -67.2 | 177.5 | 175.1 | -93 | -3.8 | 110.9 | V95 F96 A97 Y101 | V95-R99 CarbonylContact C-O 3.59Å; V95-R99 VanDerWaalsContact CA-O 3.3Å; V95-R99 WeakPolarHBondContact CA-O 3Å; F96-R99 PolarHBondContact N-O 3.06Å; F96-R99 PolarHBondContact O-N 2.91Å; A97-R99 VanDerWaalsContact C-N 3.31Å; A97-R99 PolarHBondContact O-N 2.89Å; R99-Y101 HydrophobicContact CB-CE2 3.87Å; R99-Y101 WeakPolarHBondContact O-CD2 3.41Å |
| 100 | Q | 85.8 | Confident | 82.4 | Confident | 101 Ų | 101 | 70.8 Ų | 70.8 | 47% | 0.472 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 143.2 | 166.7 | -66 | 179.1 | -85.2 | 0 | 0 | 109.8 | Y93 M94 V95 F102 | Y93-Q100 HydrophobicContact CD2-CB 4.16Å; Y93-Q100 HydrophobicContact CD2-CG 3.81Å; Y93-Q100 VanDerWaalsContact CD2-NE2 3.33Å; Y93-Q100 HydrophobicContact CE2-CG 3.98Å; M94-Q100 CarbonylContact O-C 3.56Å; M94-Q100 WeakPolarHBondContact O-CA 3.3Å; V95-Q100 HydrophobicContact CG2-CG 4.18Å; Q100-F102 HydrophobicContact CB-CE2 3.96Å; Q100-F102 HydrophobicContact CB-CZ 4.23Å |
| 101 | Y | 85.5 | Confident | 83.9 | Confident | 11 Ų | 11 | 68 Ų | 68 | 4% | 0.043 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 129.2 | 174.3 | -65.9 | -88.5 | 0 | 0 | 0 | 109.5 | Y93 M94 F96 R99 D105 I122 L150 P152 | Y93-Y101 CarbonylContact C-O 3.56Å; Y93-Y101 WeakPolarHBondContact CA-O 3.38Å; Y93-Y101 WeakPolarHBondContact CB-O 3.45Å; M94-Y101 HydrophobicContact CG-CD2 4.4Å; M94-Y101 PolarHBondContact N-O 2.95Å; M94-Y101 PolarHBondContact O-N 3.06Å; F96-Y101 HydrophobicContact CB-CD2 4.27Å; F96-Y101 HydrophobicContact CB-CE2 3.94Å; F96-Y101 HydrophobicContact CD1-CE2 4.39Å; R99-Y101 HydrophobicContact CB-CE2 3.87Å; R99-Y101 WeakPolarHBondContact O-CD2 3.41Å; Y101-D105 WeakPolarHBondContact CA-OD2 3.45Å; Y101-I122 HydrophobicContact CD1-CD1 3.64Å; Y101-I122 HydrophobicContact CG-CD1 3.98Å; Y101-L150 HydrophobicContact CD1-CD2 4.2Å; Y101-L150 HydrophobicContact CE1-CD2 3.47Å; Y101-L150 VanDerWaalsContact CE1-CD2 3.47Å; Y101-P152 HydrophobicContact CE1-CB 3.86Å; Y101-P152 WeakPolarHBondContact OH-CD 3.35Å |
| 102 | F | 86.5 | Confident | 85.5 | Confident | 63 Ų | 63 | 69.9 Ų | 69.9 | 28% | 0.276 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 161.7 | -176.7 | -60.2 | -92.1 | 0 | 0 | 0 | 111.7 | Y93 Q100 G104 D105 | Y93-F102 HydrophobicContact CD1-CE1 4.23Å; Y93-F102 HydrophobicContact CG-CE1 4.14Å; Q100-F102 HydrophobicContact CB-CE2 3.96Å; Q100-F102 HydrophobicContact CB-CZ 4.23Å; F102-G104 PolarHBondContact O-N 3.31Å; F102-D105 PolarHBondContact N-OD2 2.83Å; F102-D105 WeakPolarHBondContact O-CB 3.37Å; F102-D105 PolarHBondContact O-N 3.01Å; F102-D105 VanDerWaalsContact O-N 3.16Å |
| 103 | L | 87.8 | Confident | 86.4 | Confident | 82 Ų | 82 | 71.1 Ų | 71.1 | 43% | 0.429 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 129.5 | 167.7 | -65.9 | 169.8 | 0 | 0 | 0 | 110.4 | D92 V125 | D92-L103 HydrophobicContact CB-CD1 3.8Å; D92-L103 HydrophobicContact CB-CG 4.39Å; L103-V125 HydrophobicContact CD2-CB 4.29Å; L103-V125 HydrophobicContact CD2-CG2 3.76Å; L103-V125 HydrophobicContact CG-CG2 4.12Å |
| 104 | G | 86.6 | Confident | 86.8 | Confident | 48 Ų | 48 | 76.5 Ų | 76.5 | 50% | 0.495 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | -6.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | F102 K106 I122 | F102-G104 PolarHBondContact O-N 3.31Å; G104-K106 PolarHBondContact O-N 3.31Å; G104-I122 PolarHBondContact N-O 3.45Å |
| 105 | D | 89.5 | Confident | 87.2 | Confident | 59 Ų | 59 | 76.4 Ų | 76.4 | 32% | 0.316 | 42% | 0.416 | S | S | . | . | trans | -61.5 | 136.6 | 178.3 | -91.1 | -20.2 | 0 | 0 | 0 | 111.9 | Y101 F102 C107 F121 I122 | Y101-D105 WeakPolarHBondContact CA-OD2 3.45Å; F102-D105 PolarHBondContact N-OD2 2.83Å; F102-D105 WeakPolarHBondContact O-CB 3.37Å; F102-D105 PolarHBondContact O-N 3.01Å; F102-D105 VanDerWaalsContact O-N 3.16Å; D105-C107 PolarHBondContact O-N 3.44Å; D105-F121 WeakPolarHBondContact O-CA 3.27Å; D105-I122 HydrophobicContact CB-CD1 4.22Å; D105-I122 PolarHBondContact O-N 2.89Å | ||
| 106 | K | 92.4 | Very high | 87.5 | Confident | 118 Ų | 118 | 77.4 Ų | 77.4 | 51% | 0.513 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 123.3 | 172.7 | -72.2 | -162 | 172.8 | -149.8 | 0 | 110.5 | G104 F121 V153 | G104-K106 PolarHBondContact O-N 3.31Å; K106-F121 HydrophobicContact CD-CE1 4.21Å; K106-F121 HydrophobicContact CD-CZ 4.5Å; K106-F121 VanDerWaalsContact CE-CE1 3.43Å; K106-F121 HydrophobicContact CG-CD1 4.04Å; K106-F121 HydrophobicContact CG-CE1 3.78Å; K106-F121 HydrophobicContact CG-CZ 4.42Å; K106-V153 HydrophobicContact CB-CB 4.19Å; K106-V153 WeakPolarHBondContact O-CB 3.41Å; K106-V153 PolarHBondContact O-N 2.79Å |
| 107 | C | 91.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 77.4 Ų | 77.4 | 1% | 0.007 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 167.3 | 174.6 | 64 | 0 | 0 | 0 | 0 | 110.8 | D105 A120 I122 L150 K151 | D105-C107 PolarHBondContact O-N 3.44Å; C107-A120 PolarHBondContact N-O 2.9Å; C107-A120 PolarHBondContact O-N 2.98Å; C107-A120 VanDerWaalsContact O-O 3.06Å; C107-I122 HydrophobicContact CB-CG1 4.45Å; C107-L150 HydrophobicContact CB-CD1 3.94Å; C107-L150 HydrophobicContact CB-CD2 4.02Å; C107-L150 HydrophobicContact CB-CG 3.87Å; C107-K151 CarbonylContact C-O 3.57Å; C107-K151 WeakPolarHBondContact CA-O 3.17Å; C107-K151 WeakPolarHBondContact CB-O 3.34Å |
| 108 | Q | 93.8 | Very high | 88.7 | Confident | 67 Ų | 67 | 75.7 Ų | 75.7 | 31% | 0.313 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 126.5 | 167.8 | -93 | 178.3 | -1.1 | 0 | 0 | 108.4 | F117 Y118 N119 K151 V153 | Q108-F117 HydrophobicContact CB-CB 4.22Å; Q108-F117 HydrophobicContact CB-CD1 4.24Å; Q108-Y118 CarbonylContact C-O 3.51Å; Q108-Y118 VanDerWaalsContact CA-O 3.27Å; Q108-Y118 WeakPolarHBondContact CA-O 3.34Å; Q108-N119 WeakPolarHBondContact CG-OD1 3.31Å; Q108-N119 PolarHBondContact NE2-OD1 3.1Å; Q108-K151 HydrophobicContact CB-CB 4.27Å; Q108-K151 PolarHBondContact N-O 2.98Å; Q108-K151 PolarHBondContact O-N 3.38Å; Q108-V153 HydrophobicContact CB-CG2 4.24Å; Q108-V153 HydrophobicContact CG-CG2 3.77Å |
| 109 | V | 93.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 145.5 | -175.4 | -71.1 | 0 | 0 | 0 | 0 | 111.7 | F117 Y118 A120 V134 I136 V145 D149 L150 | V109-F117 CarbonylContact O-C 3.5Å; V109-F117 WeakPolarHBondContact O-CA 3.35Å; V109-Y118 PolarHBondContact N-O 3.22Å; V109-Y118 PolarHBondContact O-N 3.16Å; V109-A120 HydrophobicContact CG1-CB 4.46Å; V109-A120 HydrophobicContact CG2-CB 3.64Å; V109-V134 HydrophobicContact CB-CG2 4.48Å; V109-V134 HydrophobicContact CG1-CG1 4.23Å; V109-V134 HydrophobicContact CG1-CG2 3.98Å; V109-V134 HydrophobicContact CG2-CG2 4.01Å; V109-I136 HydrophobicContact CG2-CD1 3.75Å; V109-I136 HydrophobicContact CG2-CG1 3.9Å; V109-V145 HydrophobicContact CB-CB 4.47Å; V109-V145 HydrophobicContact CB-CG1 4.02Å; V109-V145 HydrophobicContact CB-CG2 4.12Å; V109-V145 HydrophobicContact CG1-CB 4.28Å; V109-V145 HydrophobicContact CG1-CG1 4.08Å; V109-V145 HydrophobicContact CG1-CG2 4.25Å; V109-V145 HydrophobicContact CG2-CG2 4.4Å; V109-D149 WeakPolarHBondContact CA-O 3.45Å; V109-L150 HydrophobicContact CG1-CB 4.31Å; V109-L150 HydrophobicContact CG1-CD1 4.28Å; V109-L150 HydrophobicContact CG1-CG 4.2Å |
| 110 | R | 93.1 | Very high | 89.9 | Confident | 68 Ų | 68 | 68.5 Ų | 68.5 | 26% | 0.257 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 118.8 | 176.3 | 176.1 | 177 | 70.3 | 158.4 | 7.7 | 109.7 | E112 P113 G115 F117 D149 | R110-E112 WeakPolarHBondContact CD-O 3.31Å; R110-E112 WeakPolarHBondContact CG-O 3.44Å; R110-P113 PolarHBondContact NH1-O 2.96Å; R110-G115 WeakPolarHBondContact CD-O 3.47Å; R110-F117 HydrophobicContact CB-CD1 3.85Å; R110-F117 HydrophobicContact CB-CE1 3.6Å; R110-F117 HydrophobicContact CB-CE2 4.31Å; R110-F117 HydrophobicContact CB-CG 4.3Å; R110-F117 HydrophobicContact CB-CZ 3.83Å; R110-F117 HydrophobicContact CG-CZ 4.49Å; R110-D149 HydrophobicContact CB-CB 4.27Å; R110-D149 IonicContact CZ-OD1 2.8Å; R110-D149 PolarHBondContact N-O 3.36Å; R110-D149 VanDerWaalsContact N-O 3.07Å; R110-D149 IonicContact NE-OD1 2.63Å; R110-D149 PolarHBondContact NE-OD1 3.03Å; R110-D149 IonicContact NH2-OD1 2.65Å; R110-D149 PolarHBondContact NH2-OD1 3.35Å; R110-D149 WeakPolarHBondContact O-CB 3.3Å |
| 111 | L | 90.8 | Very high | 90.2 | Very high | 68 Ų | 68 | 66.6 Ų | 66.6 | 36% | 0.356 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -78.8 | -36.3 | -179.8 | -66.8 | 178.2 | 0 | 0 | 0 | 112.9 | Y118 I136 L139 H143 V145 | L111-Y118 HydrophobicContact CD1-CD2 4.47Å; L111-Y118 HydrophobicContact CD1-CE2 4.16Å; L111-Y118 HydrophobicContact CG-CD2 4.41Å; L111-Y118 HydrophobicContact CG-CE2 4.32Å; L111-I136 HydrophobicContact CD1-CD1 3.93Å; L111-I136 HydrophobicContact CD2-CD1 3.77Å; L111-I136 HydrophobicContact CG-CD1 3.99Å; L111-L139 HydrophobicContact CD1-CD1 3.77Å; L111-H143 HydrophobicContact CD2-CB 4.08Å; L111-V145 HydrophobicContact CD2-CG2 4.01Å |
| 112 | E | 89.4 | Confident | 90.5 | Very high | 129 Ų | 129 | 66.1 Ų | 66.1 | 60% | 0.603 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -112.7 | 140.2 | -178.1 | -63 | 178.1 | 170.5 | 0 | 0 | 111 | R110 K114 G115 | R110-E112 WeakPolarHBondContact CD-O 3.31Å; R110-E112 WeakPolarHBondContact CG-O 3.44Å; E112-K114 PolarHBondContact O-N 2.84Å; E112-G115 PolarHBondContact O-N 2.8Å |
| 113 | P | 83.8 | Confident | 90.7 | Very high | 108 Ų | 108 | 66.9 Ų | 66.9 | 70% | 0.701 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -12 | -178.5 | -28.7 | 36 | 0 | 0 | 0 | 116.9 | R110 | R110-P113 PolarHBondContact NH1-O 2.96Š|
| 114 | K | 83.1 | Confident | 90.7 | Very high | 204 Ų | 204 | 66.9 Ų | 66.9 | 89% | 0.887 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.5 | 2.2 | 173.4 | -63.9 | -176.5 | 179.7 | 179 | 0 | 114.1 | E112 | E112-K114 PolarHBondContact O-N 2.84Š|
| 115 | G | 87.3 | Confident | 90.3 | Very high | 23 Ų | 23 | 66.2 Ų | 66.2 | 24% | 0.237 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -79.5 | 175.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | R110 E112 | R110-G115 WeakPolarHBondContact CD-O 3.47Å; E112-G115 PolarHBondContact O-N 2.8Å |
| 116 | K | 91.9 | Very high | 89.2 | Confident | 117 Ų | 117 | 66.4 Ų | 66.4 | 51% | 0.509 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 158.9 | 174.2 | 58.7 | 161.5 | 167.7 | 159.3 | 0 | 112.3 | Y118 E138 | K116-Y118 HydrophobicContact CD-CD1 4.46Å; K116-Y118 HydrophobicContact CD-CE1 4.1Å; K116-Y118 HydrophobicContact CG-CD2 4.46Å; K116-Y118 HydrophobicContact CG-CE1 4.32Å; K116-Y118 HydrophobicContact CG-CE2 3.96Å; K116-E138 IonicContact NZ-OE2 2.67Å; K116-E138 PolarHBondContact NZ-OE2 2.82Å |
| 117 | F | 92.3 | Very high | 88.4 | Confident | 60 Ų | 60 | 64.2 Ų | 64.2 | 26% | 0.263 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 132.6 | 164.4 | -73.8 | -92 | 0 | 0 | 0 | 109 | Q108 V109 R110 K151 | Q108-F117 HydrophobicContact CB-CB 4.22Å; Q108-F117 HydrophobicContact CB-CD1 4.24Å; V109-F117 CarbonylContact O-C 3.5Å; V109-F117 WeakPolarHBondContact O-CA 3.35Å; R110-F117 HydrophobicContact CB-CD1 3.85Å; R110-F117 HydrophobicContact CB-CE1 3.6Å; R110-F117 HydrophobicContact CB-CE2 4.31Å; R110-F117 HydrophobicContact CB-CG 4.3Å; R110-F117 HydrophobicContact CB-CZ 3.83Å; R110-F117 HydrophobicContact CG-CZ 4.49Å; F117-K151 HydrophobicContact CD1-CD 3.91Å; F117-K151 HydrophobicContact CD1-CG 4.37Å; F117-K151 HydrophobicContact CE1-CD 3.56Å; F117-K151 HydrophobicContact CE1-CG 3.87Å; F117-K151 HydrophobicContact CE2-CD 4.42Å; F117-K151 HydrophobicContact CG-CD 4.49Å; F117-K151 HydrophobicContact CZ-CD 3.87Å; F117-K151 HydrophobicContact CZ-CG 4.47Å |
| 118 | Y | 93.4 | Very high | 87.6 | Confident | 46 Ų | 46 | 68.5 Ų | 68.5 | 18% | 0.18 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 145.9 | 174.9 | -61 | -96.3 | 0 | 0 | 0 | 109.7 | Q108 V109 L111 K116 I136 E138 | Q108-Y118 CarbonylContact C-O 3.51Å; Q108-Y118 VanDerWaalsContact CA-O 3.27Å; Q108-Y118 WeakPolarHBondContact CA-O 3.34Å; V109-Y118 PolarHBondContact N-O 3.22Å; V109-Y118 PolarHBondContact O-N 3.16Å; L111-Y118 HydrophobicContact CD1-CD2 4.47Å; L111-Y118 HydrophobicContact CD1-CE2 4.16Å; L111-Y118 HydrophobicContact CG-CD2 4.41Å; L111-Y118 HydrophobicContact CG-CE2 4.32Å; K116-Y118 HydrophobicContact CD-CD1 4.46Å; K116-Y118 HydrophobicContact CD-CE1 4.1Å; K116-Y118 HydrophobicContact CG-CD2 4.46Å; K116-Y118 HydrophobicContact CG-CE1 4.32Å; K116-Y118 HydrophobicContact CG-CE2 3.96Å; Y118-I136 HydrophobicContact CD1-CG2 4.21Å; Y118-I136 HydrophobicContact CG-CG2 4.08Å; Y118-E138 HydrophobicContact CD1-CB 3.99Å; Y118-E138 HydrophobicContact CD1-CG 4.4Å; Y118-E138 WeakPolarHBondContact CD1-OE2 3.46Å |
| 119 | N | 94.6 | Very high | 86.8 | Confident | 64 Ų | 64 | 70.8 Ų | 70.8 | 34% | 0.342 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 135.8 | 170.3 | -64.9 | -35.7 | 0 | 0 | 0 | 110.2 | Q108 E137 | Q108-N119 WeakPolarHBondContact CG-OD1 3.31Å; Q108-N119 PolarHBondContact NE2-OD1 3.1Å; N119-E137 HydrophobicContact CB-CB 4.41Å; N119-E137 WeakPolarHBondContact O-CB 3.29Å; N119-E137 PolarHBondContact O-N 2.84Å |
| 120 | A | 94.8 | Very high | 86.4 | Confident | 2 Ų | 2 | 75.7 Ų | 75.7 | 2% | 0.017 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 167 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | C107 V109 V134 F135 I136 | C107-A120 PolarHBondContact N-O 2.9Å; C107-A120 PolarHBondContact O-N 2.98Å; C107-A120 VanDerWaalsContact O-O 3.06Å; V109-A120 HydrophobicContact CG1-CB 4.46Å; V109-A120 HydrophobicContact CG2-CB 3.64Å; A120-V134 HydrophobicContact CB-CB 4.1Å; A120-V134 HydrophobicContact CB-CG2 4.03Å; A120-F135 CarbonylContact C-O 3.55Å; A120-F135 WeakPolarHBondContact CA-O 3.35Å; A120-F135 VanDerWaalsContact CB-O 3.3Å; A120-F135 WeakPolarHBondContact CB-O 3.47Å; A120-I136 HydrophobicContact CB-CG1 4.1Å |
| 121 | F | 93 | Very high | 86.2 | Confident | 60 Ų | 60 | 73 Ų | 73 | 26% | 0.263 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 131 | 178.3 | -60.8 | -101.5 | 0 | 0 | 0 | 109.3 | D105 K106 Q123 V134 F135 E137 | D105-F121 WeakPolarHBondContact O-CA 3.27Å; K106-F121 HydrophobicContact CD-CE1 4.21Å; K106-F121 HydrophobicContact CD-CZ 4.5Å; K106-F121 VanDerWaalsContact CE-CE1 3.43Å; K106-F121 HydrophobicContact CG-CD1 4.04Å; K106-F121 HydrophobicContact CG-CE1 3.78Å; K106-F121 HydrophobicContact CG-CZ 4.42Å; F121-Q123 PolarHBondContact O-N 2.78Å; F121-V134 CarbonylContact O-C 3.58Å; F121-V134 VanDerWaalsContact O-CA 3.25Å; F121-V134 WeakPolarHBondContact O-CA 3.22Å; F121-V134 WeakPolarHBondContact O-CB 3.27Å; F121-F135 PolarHBondContact N-O 2.77Å; F121-F135 PolarHBondContact O-N 3.46Å; F121-E137 HydrophobicContact CE2-CB 4.21Å; F121-E137 HydrophobicContact CE2-CG 4.31Å |
| 122 | I | 91.7 | Very high | 86.2 | Confident | 2 Ų | 2 | 69.8 Ų | 69.8 | 1% | 0.01 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 123.9 | 175 | -64.5 | 178 | 0 | 0 | 0 | 108.7 | Y101 G104 D105 C107 V125 V132 V134 L150 | Y101-I122 HydrophobicContact CD1-CD1 3.64Å; Y101-I122 HydrophobicContact CG-CD1 3.98Å; G104-I122 PolarHBondContact N-O 3.45Å; D105-I122 HydrophobicContact CB-CD1 4.22Å; D105-I122 PolarHBondContact O-N 2.89Å; C107-I122 HydrophobicContact CB-CG1 4.45Å; I122-V125 HydrophobicContact CG2-CG2 3.63Å; I122-V132 HydrophobicContact CG2-CG2 3.97Å; I122-V134 HydrophobicContact CG1-CG1 4.21Å; I122-L150 HydrophobicContact CD1-CD1 4.1Å; I122-L150 HydrophobicContact CG1-CD1 4.29Å |
| 123 | Q | 90.7 | Very high | 86.3 | Confident | 79 Ų | 79 | 64.6 Ų | 64.6 | 37% | 0.369 | 36% | 0.359 | S | S | . | . | trans | -123.6 | -11 | -169.9 | -147.7 | -177 | 53.5 | 0 | 0 | 113.6 | F121 T133 F135 K142 | F121-Q123 PolarHBondContact O-N 2.78Å; Q123-T133 PolarHBondContact N-O 3.13Å; Q123-F135 HydrophobicContact CB-CB 4.48Å; Q123-K142 VanDerWaalsContact OE1-CD 3.23Å | ||
| 124 | E | 87.8 | Confident | 86.8 | Confident | 82 Ų | 82 | 59.4 Ų | 59.4 | 38% | 0.383 | 33% | 0.326 | S | S | . | . | trans | -149.4 | 147.4 | 170.2 | -160.3 | 178 | -139.8 | 0 | 0 | 109 | T127 V132 T133 | E124-T127 VanDerWaalsContact CD-CG2 3.45Å; E124-T127 HydrophobicContact CG-CG2 3.99Å; E124-T127 WeakPolarHBondContact OE1-CG2 3.24Å; E124-T127 PolarHBondContact OE2-OG1 2.96Å; E124-V132 WeakPolarHBondContact O-CG2 3.33Å; E124-T133 HydrophobicContact CB-CG2 4.49Å; E124-T133 PolarHBondContact N-O 3.3Å; E124-T133 PolarHBondContact OE2-OG1 3.12Å | ||
| 125 | V | 78 | Confident | 87.4 | Confident | 33 Ų | 33 | 52.8 Ų | 52.8 | 20% | 0.2 | 30% | 0.297 | C | S | . | . | trans | -136.8 | 133.7 | -175.1 | 172.1 | 0 | 0 | 0 | 0 | 108.7 | M94 L103 I122 | M94-V125 HydrophobicContact CB-CG1 3.83Å; M94-V125 HydrophobicContact CE-CB 4.37Å; M94-V125 HydrophobicContact CE-CG1 4.07Å; M94-V125 HydrophobicContact CE-CG2 4.38Å; M94-V125 HydrophobicContact CG-CG1 4.14Å; L103-V125 HydrophobicContact CD2-CB 4.29Å; L103-V125 HydrophobicContact CD2-CG2 3.76Å; L103-V125 HydrophobicContact CG-CG2 4.12Å; I122-V125 HydrophobicContact CG2-CG2 3.63Å | ||
| 126 | G | 66 | Low | 87.7 | Confident | 64 Ų | 64 | 51.7 Ų | 51.7 | 66% | 0.66 | 29% | 0.286 | S | S | * | . | S | Bend | trans | 90.4 | -7.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | H128 | G126-H128 VanDerWaalsContact C-N 3.31Å; G126-H128 PolarHBondContact O-N 2.84Å |
| 127 | T | 74.6 | Confident | 87.8 | Confident | 72 Ų | 72 | 51 Ų | 51 | 44% | 0.442 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -66.3 | -31.2 | 174.7 | 42.4 | 0 | 0 | 0 | 0 | 113.5 | E124 | E124-T127 VanDerWaalsContact CD-CG2 3.45Å; E124-T127 HydrophobicContact CG-CG2 3.99Å; E124-T127 WeakPolarHBondContact OE1-CG2 3.24Å; E124-T127 PolarHBondContact OE2-OG1 2.96Å |
| 128 | H | 75.6 | Confident | 87.7 | Confident | 90 Ų | 90 | 52.7 Ų | 52.7 | 42% | 0.417 | 29% | 0.293 | S | S | . | . | trans | -132.4 | 142.9 | 178 | -58 | -76.5 | 0 | 0 | 0 | 110.8 | G126 A131 L144 | G126-H128 VanDerWaalsContact C-N 3.31Å; G126-H128 PolarHBondContact O-N 2.84Å; H128-A131 HydrophobicContact CB-CB 4.18Å; H128-L144 VanDerWaalsContact CD2-CD1 3.49Å; H128-L144 WeakPolarHBondContact CD2-CD1 3.17Å | ||
| 129 | S | 76.7 | Confident | 87.5 | Confident | 115 Ų | 115 | 54 Ų | 54 | 80% | 0.804 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -84.5 | -14 | -178.8 | 54.1 | 0 | 0 | 0 | 0 | 114.2 | ||
| 130 | T | 85 | Confident | 87.4 | Confident | 103 Ų | 103 | 53.1 Ų | 53.1 | 63% | 0.632 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -125.6 | -3.6 | -175.7 | 53.7 | 0 | 0 | 0 | 0 | 113.7 | L147 | T130-L147 PolarHBondContact O-N 3.5Š|
| 131 | A | 89.3 | Confident | 87.3 | Confident | 12 Ų | 12 | 58.8 Ų | 58.8 | 10% | 0.099 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 166.3 | -177 | 0 | 0 | 0 | 0 | 0 | 110.8 | H128 L144 V145 | H128-A131 HydrophobicContact CB-CB 4.18Å; A131-L144 HydrophobicContact CB-CD1 3.65Å; A131-L144 HydrophobicContact CB-CG 4Å; A131-V145 CarbonylContact C-O 3.58Å; A131-V145 WeakPolarHBondContact CA-O 3.45Å; A131-V145 WeakPolarHBondContact CB-O 3.48Å |
| 132 | V | 90.9 | Very high | 87.3 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.006 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 139.4 | -175.7 | 56.9 | 0 | 0 | 0 | 0 | 111 | M94 I122 E124 V134 V145 L147 L150 | M94-V132 HydrophobicContact CE-CB 3.81Å; M94-V132 HydrophobicContact CE-CG2 3.58Å; M94-V132 HydrophobicContact SD-CB 4.39Å; M94-V132 HydrophobicContact SD-CG2 4.33Å; I122-V132 HydrophobicContact CG2-CG2 3.97Å; E124-V132 WeakPolarHBondContact O-CG2 3.33Å; V132-V134 HydrophobicContact CG1-CG1 4.08Å; V132-V134 HydrophobicContact CG2-CG1 4.33Å; V132-V145 PolarHBondContact N-O 3.14Å; V132-V145 PolarHBondContact O-N 3.08Å; V132-L147 HydrophobicContact CB-CD2 3.95Å; V132-L147 HydrophobicContact CG1-CD2 3.72Å; V132-L150 HydrophobicContact CG1-CD1 3.63Å |
| 133 | T | 92.4 | Very high | 87.2 | Confident | 19 Ų | 19 | 64.7 Ų | 64.7 | 12% | 0.117 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 116.8 | 176.1 | -41.5 | 0 | 0 | 0 | 0 | 109.5 | Q123 E124 K142 H143 | Q123-T133 PolarHBondContact N-O 3.13Å; E124-T133 HydrophobicContact CB-CG2 4.49Å; E124-T133 PolarHBondContact N-O 3.3Å; E124-T133 PolarHBondContact OE2-OG1 3.12Å; T133-K142 HydrophobicContact CG2-CB 4.3Å; T133-H143 WeakPolarHBondContact CA-O 3.21Å |
| 134 | V | 93.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 150.6 | 178.2 | -55.6 | 0 | 0 | 0 | 0 | 110.8 | V109 A120 F121 I122 V132 I136 K142 H143 V145 L150 | V109-V134 HydrophobicContact CB-CG2 4.48Å; V109-V134 HydrophobicContact CG1-CG1 4.23Å; V109-V134 HydrophobicContact CG1-CG2 3.98Å; V109-V134 HydrophobicContact CG2-CG2 4.01Å; A120-V134 HydrophobicContact CB-CB 4.1Å; A120-V134 HydrophobicContact CB-CG2 4.03Å; F121-V134 CarbonylContact O-C 3.58Å; F121-V134 VanDerWaalsContact O-CA 3.25Å; F121-V134 WeakPolarHBondContact O-CA 3.22Å; F121-V134 WeakPolarHBondContact O-CB 3.27Å; I122-V134 HydrophobicContact CG1-CG1 4.21Å; V132-V134 HydrophobicContact CG1-CG1 4.08Å; V132-V134 HydrophobicContact CG2-CG1 4.33Å; V134-I136 HydrophobicContact CG2-CG1 4.05Å; V134-K142 CarbonylContact O-C 3.51Å; V134-K142 WeakPolarHBondContact O-CA 3.3Å; V134-H143 PolarHBondContact N-O 2.82Å; V134-H143 PolarHBondContact O-N 2.79Å; V134-V145 HydrophobicContact CG2-CG2 3.79Å; V134-L150 HydrophobicContact CG1-CD1 4.36Å |
| 135 | F | 94.8 | Very high | 87.5 | Confident | 65 Ų | 65 | 61.5 Ų | 61.5 | 29% | 0.285 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 119.8 | 168.5 | -177.5 | -92.4 | 0 | 0 | 0 | 109.3 | A120 F121 Q123 G140 K142 | A120-F135 CarbonylContact C-O 3.55Å; A120-F135 WeakPolarHBondContact CA-O 3.35Å; A120-F135 VanDerWaalsContact CB-O 3.3Å; A120-F135 WeakPolarHBondContact CB-O 3.47Å; F121-F135 PolarHBondContact N-O 2.77Å; F121-F135 PolarHBondContact O-N 3.46Å; Q123-F135 HydrophobicContact CB-CB 4.48Å; F135-G140 WeakPolarHBondContact CE2-O 3.28Å; F135-G140 VanDerWaalsContact CZ-C 3.49Å; F135-G140 WeakPolarHBondContact CZ-O 3.23Å; F135-K142 HydrophobicContact CD2-CG 4.44Å |
| 136 | I | 94.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 118.2 | -176.9 | -60.5 | -175.5 | 0 | 0 | 0 | 109.8 | V109 L111 Y118 A120 V134 E138 L139 G140 E141 H143 | V109-I136 HydrophobicContact CG2-CD1 3.75Å; V109-I136 HydrophobicContact CG2-CG1 3.9Å; L111-I136 HydrophobicContact CD1-CD1 3.93Å; L111-I136 HydrophobicContact CD2-CD1 3.77Å; L111-I136 HydrophobicContact CG-CD1 3.99Å; Y118-I136 HydrophobicContact CD1-CG2 4.21Å; Y118-I136 HydrophobicContact CG-CG2 4.08Å; A120-I136 HydrophobicContact CB-CG1 4.1Å; V134-I136 HydrophobicContact CG2-CG1 4.05Å; I136-E138 VanDerWaalsContact C-N 3.32Å; I136-E138 PolarHBondContact O-N 3.46Å; I136-L139 HydrophobicContact CB-CB 4.2Å; I136-L139 HydrophobicContact CB-CD1 4.23Å; I136-L139 HydrophobicContact CB-CG 4.33Å; I136-L139 HydrophobicContact CD1-CD1 4.13Å; I136-L139 HydrophobicContact CG2-CB 4.11Å; I136-L139 HydrophobicContact CG2-CD1 3.94Å; I136-L139 HydrophobicContact CG2-CG 3.8Å; I136-L139 PolarHBondContact O-N 3.33Å; I136-L139 VanDerWaalsContact O-N 3.13Å; I136-G140 PolarHBondContact O-N 2.78Å; I136-E141 PolarHBondContact N-O 3.44Å; I136-H143 HydrophobicContact CD1-CB 3.76Å; I136-H143 HydrophobicContact CG1-CB 4.28Å |
| 137 | E | 93.6 | Very high | 89.2 | Confident | 102 Ų | 102 | 60.5 Ų | 60.5 | 48% | 0.477 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -37.4 | -172 | -171.3 | 171.5 | -160.2 | 0 | 0 | 112.4 | N119 F121 L139 | N119-E137 HydrophobicContact CB-CB 4.41Å; N119-E137 WeakPolarHBondContact O-CB 3.29Å; N119-E137 PolarHBondContact O-N 2.84Å; F121-E137 HydrophobicContact CE2-CB 4.21Å; F121-E137 HydrophobicContact CE2-CG 4.31Å; E137-L139 VanDerWaalsContact C-N 3.34Å |
| 138 | E | 91.1 | Very high | 89.9 | Confident | 95 Ų | 95 | 62.4 Ų | 62.4 | 44% | 0.444 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -15.9 | 178.7 | -69.6 | 172.2 | -121.8 | 0 | 0 | 114.3 | K116 Y118 I136 | K116-E138 IonicContact NZ-OE2 2.67Å; K116-E138 PolarHBondContact NZ-OE2 2.82Å; Y118-E138 HydrophobicContact CD1-CB 3.99Å; Y118-E138 HydrophobicContact CD1-CG 4.4Å; Y118-E138 WeakPolarHBondContact CD1-OE2 3.46Å; I136-E138 VanDerWaalsContact C-N 3.32Å; I136-E138 PolarHBondContact O-N 3.46Å |
| 139 | L | 89.3 | Confident | 90.6 | Very high | 74 Ų | 74 | 59.2 Ų | 59.2 | 39% | 0.387 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | -22.7 | -177 | -60.2 | 179.3 | 0 | 0 | 0 | 112.9 | L111 I136 E137 E141 | L111-L139 HydrophobicContact CD1-CD1 3.77Å; I136-L139 HydrophobicContact CB-CB 4.2Å; I136-L139 HydrophobicContact CB-CD1 4.23Å; I136-L139 HydrophobicContact CB-CG 4.33Å; I136-L139 HydrophobicContact CD1-CD1 4.13Å; I136-L139 HydrophobicContact CG2-CB 4.11Å; I136-L139 HydrophobicContact CG2-CD1 3.94Å; I136-L139 HydrophobicContact CG2-CG 3.8Å; I136-L139 PolarHBondContact O-N 3.33Å; I136-L139 VanDerWaalsContact O-N 3.13Å; E137-L139 VanDerWaalsContact C-N 3.34Å; L139-E141 PolarHBondContact O-N 3.4Å |
| 140 | G | 91.3 | Very high | 91.2 | Very high | 46 Ų | 46 | 54.3 Ų | 54.3 | 47% | 0.474 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 11.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.3 | F135 I136 | F135-G140 WeakPolarHBondContact CE2-O 3.28Å; F135-G140 VanDerWaalsContact CZ-C 3.49Å; F135-G140 WeakPolarHBondContact CZ-O 3.23Å; I136-G140 PolarHBondContact O-N 2.78Å |
| 141 | E | 93.2 | Very high | 91.5 | Very high | 121 Ų | 121 | 54.2 Ų | 54.2 | 57% | 0.565 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 153.7 | -167.4 | -72.2 | -173.9 | 166.5 | 0 | 0 | 113.8 | I136 L139 H143 | I136-E141 PolarHBondContact N-O 3.44Å; L139-E141 PolarHBondContact O-N 3.4Å; E141-H143 PolarHBondContact O-ND1 3.08Å; E141-H143 IonicContact OE2-CE1 3.14Å |
| 142 | K | 92.5 | Very high | 91.3 | Very high | 138 Ų | 138 | 56 Ų | 56 | 60% | 0.6 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 128.8 | 175 | -56.1 | -166.2 | -173.7 | -137.6 | 0 | 111 | Q123 T133 V134 F135 | Q123-K142 VanDerWaalsContact OE1-CD 3.23Å; T133-K142 HydrophobicContact CG2-CB 4.3Å; V134-K142 CarbonylContact O-C 3.51Å; V134-K142 WeakPolarHBondContact O-CA 3.3Å; F135-K142 HydrophobicContact CD2-CG 4.44Å |
| 143 | H | 90.6 | Very high | 91 | Very high | 47 Ų | 47 | 58.5 Ų | 58.5 | 22% | 0.218 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 135.4 | 178.6 | -77.4 | 69.9 | 0 | 0 | 0 | 110.6 | L111 T133 V134 I136 E141 V145 | L111-H143 HydrophobicContact CD2-CB 4.08Å; T133-H143 WeakPolarHBondContact CA-O 3.21Å; V134-H143 PolarHBondContact N-O 2.82Å; V134-H143 PolarHBondContact O-N 2.79Å; I136-H143 HydrophobicContact CD1-CB 3.76Å; I136-H143 HydrophobicContact CG1-CB 4.28Å; E141-H143 PolarHBondContact O-ND1 3.08Å; E141-H143 IonicContact OE2-CE1 3.14Å; H143-V145 HydrophobicContact CB-CG2 4.1Å |
| 144 | L | 92.7 | Very high | 89.8 | Confident | 92 Ų | 92 | 63.1 Ų | 63.1 | 48% | 0.482 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 108.2 | 170 | 179.5 | 62.4 | 0 | 0 | 0 | 108.7 | H128 A131 | H128-L144 VanDerWaalsContact CD2-CD1 3.49Å; H128-L144 WeakPolarHBondContact CD2-CD1 3.17Å; A131-L144 HydrophobicContact CB-CD1 3.65Å; A131-L144 HydrophobicContact CB-CG 4Å |
| 145 | V | 91.8 | Very high | 88.3 | Confident | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.012 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 135.6 | -173.2 | -176.1 | 0 | 0 | 0 | 0 | 110.6 | V109 L111 A131 V132 V134 H143 D149 | V109-V145 HydrophobicContact CB-CB 4.47Å; V109-V145 HydrophobicContact CB-CG1 4.02Å; V109-V145 HydrophobicContact CB-CG2 4.12Å; V109-V145 HydrophobicContact CG1-CB 4.28Å; V109-V145 HydrophobicContact CG1-CG1 4.08Å; V109-V145 HydrophobicContact CG1-CG2 4.25Å; V109-V145 HydrophobicContact CG2-CG2 4.4Å; L111-V145 HydrophobicContact CD2-CG2 4.01Å; A131-V145 CarbonylContact C-O 3.58Å; A131-V145 WeakPolarHBondContact CA-O 3.45Å; A131-V145 WeakPolarHBondContact CB-O 3.48Å; V132-V145 PolarHBondContact N-O 3.14Å; V132-V145 PolarHBondContact O-N 3.08Å; V134-V145 HydrophobicContact CG2-CG2 3.79Å; H143-V145 HydrophobicContact CB-CG2 4.1Å; V145-D149 HydrophobicContact CG1-CB 4.08Å |
| 146 | P | 91.1 | Very high | 86 | Confident | 62 Ų | 62 | 69.4 Ų | 69.4 | 40% | 0.403 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 139.8 | 170.8 | -25.2 | 35.5 | 0 | 0 | 0 | 112.4 | T148 D149 | P146-T148 WeakPolarHBondContact CB-OG1 3.45Å; P146-T148 PolarHBondContact O-N 3.29Å; P146-T148 VanDerWaalsContact O-N 3.15Å; P146-D149 PolarHBondContact O-N 3.13Å |
| 147 | L | 88.8 | Confident | 83.8 | Confident | 14 Ų | 14 | 72.8 Ų | 72.8 | 7% | 0.073 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -62.2 | -25.7 | -179.8 | -66.8 | 170.4 | 0 | 0 | 0 | 112.7 | M94 F96 T130 V132 D149 L150 | M94-L147 HydrophobicContact SD-CD2 3.67Å; F96-L147 HydrophobicContact CB-CD1 4.35Å; F96-L147 HydrophobicContact CB-CD2 4.4Å; F96-L147 HydrophobicContact CD1-CB 4Å; F96-L147 HydrophobicContact CD2-CB 3.66Å; F96-L147 HydrophobicContact CD2-CD1 3.75Å; F96-L147 HydrophobicContact CD2-CG 4.22Å; F96-L147 HydrophobicContact CE1-CB 3.92Å; F96-L147 WeakPolarHBondContact CE1-O 3.42Å; F96-L147 HydrophobicContact CE2-CB 3.57Å; F96-L147 HydrophobicContact CE2-CD1 4.35Å; F96-L147 HydrophobicContact CG-CB 3.88Å; F96-L147 HydrophobicContact CG-CD1 4.1Å; F96-L147 HydrophobicContact CG-CD2 4.27Å; F96-L147 HydrophobicContact CG-CG 4.31Å; F96-L147 HydrophobicContact CZ-CB 3.71Å; F96-L147 WeakPolarHBondContact CZ-O 3.28Å; T130-L147 PolarHBondContact O-N 3.5Å; V132-L147 HydrophobicContact CB-CD2 3.95Å; V132-L147 HydrophobicContact CG1-CD2 3.72Å; L147-D149 PolarHBondContact O-N 2.94Å; L147-L150 PolarHBondContact O-N 3.24Å |
| 148 | T | 89.2 | Confident | 81.6 | Confident | 112 Ų | 112 | 72.1 Ų | 72.1 | 69% | 0.687 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -58.6 | -24.6 | 171.8 | 45.4 | 0 | 0 | 0 | 0 | 114.2 | P146 | P146-T148 WeakPolarHBondContact CB-OG1 3.45Å; P146-T148 PolarHBondContact O-N 3.29Å; P146-T148 VanDerWaalsContact O-N 3.15Å |
| 149 | D | 89.9 | Confident | 79.1 | Confident | 23 Ų | 23 | 77.9 Ų | 77.9 | 12% | 0.123 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -110.9 | 2.9 | -172.2 | -69.2 | -87.6 | 0 | 0 | 0 | 112.5 | V109 R110 V145 P146 L147 | V109-D149 WeakPolarHBondContact CA-O 3.45Å; R110-D149 HydrophobicContact CB-CB 4.27Å; R110-D149 IonicContact CZ-OD1 2.8Å; R110-D149 PolarHBondContact N-O 3.36Å; R110-D149 VanDerWaalsContact N-O 3.07Å; R110-D149 IonicContact NE-OD1 2.63Å; R110-D149 PolarHBondContact NE-OD1 3.03Å; R110-D149 IonicContact NH2-OD1 2.65Å; R110-D149 PolarHBondContact NH2-OD1 3.35Å; R110-D149 WeakPolarHBondContact O-CB 3.3Å; V145-D149 HydrophobicContact CG1-CB 4.08Å; P146-D149 PolarHBondContact O-N 3.13Å; L147-D149 PolarHBondContact O-N 2.94Å |
| 150 | L | 90 | Very high | 77.3 | Confident | 12 Ų | 12 | 77.9 Ų | 77.9 | 6% | 0.063 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 129.6 | 168.8 | -172.1 | 150.8 | 0 | 0 | 0 | 110.8 | Y101 C107 V109 I122 V132 V134 L147 | Y101-L150 HydrophobicContact CD1-CD2 4.2Å; Y101-L150 HydrophobicContact CE1-CD2 3.47Å; Y101-L150 VanDerWaalsContact CE1-CD2 3.47Å; C107-L150 HydrophobicContact CB-CD1 3.94Å; C107-L150 HydrophobicContact CB-CD2 4.02Å; C107-L150 HydrophobicContact CB-CG 3.87Å; V109-L150 HydrophobicContact CG1-CB 4.31Å; V109-L150 HydrophobicContact CG1-CD1 4.28Å; V109-L150 HydrophobicContact CG1-CG 4.2Å; I122-L150 HydrophobicContact CD1-CD1 4.1Å; I122-L150 HydrophobicContact CG1-CD1 4.29Å; V132-L150 HydrophobicContact CG1-CD1 3.63Å; V134-L150 HydrophobicContact CG1-CD1 4.36Å; L147-L150 PolarHBondContact O-N 3.24Å |
| 151 | K | 90 | Very high | 75.4 | Confident | 101 Ų | 101 | 80.9 Ų | 80.9 | 44% | 0.439 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 134.9 | 166.7 | -71.2 | 176.6 | 177.9 | 166.4 | 0 | 109.9 | C107 Q108 F117 V153 | C107-K151 CarbonylContact C-O 3.57Å; C107-K151 WeakPolarHBondContact CA-O 3.17Å; C107-K151 WeakPolarHBondContact CB-O 3.34Å; Q108-K151 HydrophobicContact CB-CB 4.27Å; Q108-K151 PolarHBondContact N-O 2.98Å; Q108-K151 PolarHBondContact O-N 3.38Å; F117-K151 HydrophobicContact CD1-CD 3.91Å; F117-K151 HydrophobicContact CD1-CG 4.37Å; F117-K151 HydrophobicContact CE1-CD 3.56Å; F117-K151 HydrophobicContact CE1-CG 3.87Å; F117-K151 HydrophobicContact CE2-CD 4.42Å; F117-K151 HydrophobicContact CG-CD 4.49Å; F117-K151 HydrophobicContact CZ-CD 3.87Å; F117-K151 HydrophobicContact CZ-CG 4.47Å; K151-V153 PolarHBondContact O-N 3.01Å |
| 152 | P | 86.4 | Confident | 73 | Confident | 51 Ų | 51 | 79.3 Ų | 79.3 | 33% | 0.331 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 126.2 | 168.5 | 26.9 | -30.5 | 0 | 0 | 0 | 109.1 | Y101 N154 | Y101-P152 HydrophobicContact CE1-CB 3.86Å; Y101-P152 WeakPolarHBondContact OH-CD 3.35Å; P152-N154 PolarHBondContact O-N 2.91Å |
| 153 | V | 84.3 | Confident | 70.4 | Confident | 53 Ų | 53 | 76.8 Ų | 76.8 | 32% | 0.321 | 45% | 0.452 | S | S | . | . | trans | -74.8 | 108.1 | 162.3 | 175.4 | 0 | 0 | 0 | 0 | 105.4 | K106 Q108 K151 P155 | K106-V153 HydrophobicContact CB-CB 4.19Å; K106-V153 WeakPolarHBondContact O-CB 3.41Å; K106-V153 PolarHBondContact O-N 2.79Å; Q108-V153 HydrophobicContact CB-CG2 4.24Å; Q108-V153 HydrophobicContact CG-CG2 3.77Å; K151-V153 PolarHBondContact O-N 3.01Å; V153-P155 VanDerWaalsContact O-CD 3.3Å; V153-P155 WeakPolarHBondContact O-CD 3.32Å | ||
| 154 | N | 67.9 | Low | 67.9 | Low | 116 Ų | 116 | 80.1 Ų | 80.1 | 62% | 0.62 | 48% | 0.479 | S | S | * | . | trans | -54.1 | 117.6 | 179.2 | -176.7 | 26.7 | 0 | 0 | 0 | 108.8 | P152 V156 | P152-N154 PolarHBondContact O-N 2.91Å; N154-V156 VanDerWaalsContact C-N 3.32Å; N154-V156 PolarHBondContact O-N 3.2Å | ||
| 155 | P | 61.3 | Low | 65.2 | Low | 106 Ų | 106 | 80.3 Ų | 80.3 | 69% | 0.688 | 49% | 0.493 | S | S | * | . | trans | -69.1 | 93.3 | -176.1 | 26.8 | -33.8 | 0 | 0 | 0 | 109.1 | V153 P157 | V153-P155 VanDerWaalsContact O-CD 3.3Å; V153-P155 WeakPolarHBondContact O-CD 3.32Å; P155-P157 VanDerWaalsContact O-CD 3.28Å; P155-P157 WeakPolarHBondContact O-CD 3.11Å; P155-P157 VanDerWaalsContact O-N 3.07Å | ||
| 156 | V | 47.5 | Very low | 62.7 | Low | 91 Ų | 91 | 92.1 Ų | 92.1 | 55% | 0.552 | 54% | 0.537 | S | S | * | . | trans | -51.1 | 115.1 | 172.7 | 172.8 | 0 | 0 | 0 | 0 | 107.1 | N154 A158 N160 | N154-V156 VanDerWaalsContact C-N 3.32Å; N154-V156 PolarHBondContact O-N 3.2Å; V156-A158 PolarHBondContact O-N 3.38Å; V156-N160 HydrophobicContact CG1-CB 3.5Å | ||
| 157 | P | 47.7 | Very low | 59.9 | Low | 70 Ų | 70 | 96.7 Ų | 96.7 | 46% | 0.455 | 55% | 0.551 | S | S | . | * | trans | -55.1 | 134 | -174.1 | -28.9 | 36.1 | 0 | 0 | 0 | 110.1 | P155 W159 N160 | P155-P157 VanDerWaalsContact O-CD 3.28Å; P155-P157 WeakPolarHBondContact O-CD 3.11Å; P155-P157 VanDerWaalsContact O-N 3.07Å; P157-W159 PolarHBondContact O-N 2.95Å; P157-N160 WeakPolarHBondContact O-CB 3.19Å; P157-N160 PolarHBondContact O-N 3.45Å | ||
| 158 | A | 46.4 | Very low | 57.3 | Low | 89 Ų | 89 | 99.8 Ų | 99.8 | 74% | 0.736 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -56.2 | -17.9 | -162.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | V156 N160 V161 | V156-A158 PolarHBondContact O-N 3.38Å; A158-N160 VanDerWaalsContact C-N 3.27Å; A158-N160 PolarHBondContact O-N 3.39Å; A158-V161 PolarHBondContact O-N 2.97Å |
| 159 | W | 39.3 | Very low | 55 | Low | 215 Ų | 215 | 99.2 Ų | 99.2 | 81% | 0.814 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -73.2 | -12.3 | 171.8 | 63.7 | -94.6 | 0 | 0 | 0 | 114.7 | P157 | P157-W159 PolarHBondContact O-N 2.95Š|
| 160 | N | 52.2 | Low | 53 | Low | 74 Ų | 74 | 103.4 Ų | 103.4 | 40% | 0.396 | 61% | 0.608 | S | S | . | * | G | 310 helix | trans | -97.8 | 10.5 | 174 | -71.4 | -74.2 | 0 | 0 | 0 | 113.2 | V156 P157 A158 A162 | V156-N160 HydrophobicContact CG1-CB 3.5Å; P157-N160 WeakPolarHBondContact O-CB 3.19Å; P157-N160 PolarHBondContact O-N 3.45Å; A158-N160 VanDerWaalsContact C-N 3.27Å; A158-N160 PolarHBondContact O-N 3.39Å; N160-A162 PolarHBondContact O-N 3.04Å |
| 161 | V | 49.8 | Very low | 50.3 | Low | 109 Ų | 109 | 109.6 Ų | 109.6 | 66% | 0.661 | 64% | 0.641 | S | S | * | * | trans | -72.9 | 78.1 | 166.1 | -175.2 | 0 | 0 | 0 | 0 | 108.1 | A158 A163 | A158-V161 PolarHBondContact O-N 2.97Å; V161-A163 PolarHBondContact O-N 3.38Å | ||
| 162 | A | 43.8 | Very low | 48.4 | Very low | 88 Ų | 88 | 109.7 Ų | 109.7 | 73% | 0.727 | 65% | 0.652 | S | S | * | * | trans | -55 | 127.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | N160 | N160-A162 PolarHBondContact O-N 3.04Š| ||
| 163 | A | 37.6 | Very low | 45.9 | Very low | 85 Ų | 85 | 115.6 Ų | 115.6 | 70% | 0.702 | 68% | 0.675 | S | S | * | * | trans | -53.6 | 139.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | V161 A165 | V161-A163 PolarHBondContact O-N 3.38Å; A163-A165 PolarHBondContact O-N 2.96Å | ||
| 164 | P | 37.8 | Very low | 43.7 | Very low | 118 Ų | 118 | 119.2 Ų | 119.2 | 77% | 0.766 | 70% | 0.702 | S | S | * | * | trans | -55 | 114.3 | -169.9 | 20.4 | -33 | 0 | 0 | 0 | 110.6 | R166 | P164-R166 PolarHBondContact O-N 3.35Š| ||
| 165 | A | 35.7 | Very low | 42.1 | Very low | 95 Ų | 95 | 125.5 Ų | 125.5 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | trans | -63.5 | 110.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | A163 K167 | A163-A165 PolarHBondContact O-N 2.96Å; A165-K167 PolarHBondContact O-N 2.87Å | ||
| 166 | R | 39.9 | Very low | 40.7 | Very low | 250 Ų | 250 | 124.3 Ų | 124.3 | 94% | 0.943 | 72% | 0.724 | S | S | * | * | trans | -72.5 | 73.4 | 175 | -70.1 | -173.5 | 175.9 | -178.2 | -1.7 | 110.2 | P164 G168 | P164-R166 PolarHBondContact O-N 3.35Å; R166-G168 PolarHBondContact O-N 3.09Å | ||
| 167 | K | 31.9 | Very low | 40 | Very low | 158 Ų | 158 | 129.4 Ų | 129.4 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | trans | -77.6 | 76.7 | 169.7 | -164.9 | -172.9 | -170.8 | -65 | 0 | 109.9 | A165 D169 | A165-K167 PolarHBondContact O-N 2.87Å; K167-D169 HydrophobicContact CG-CB 4.29Å; K167-D169 IonicContact NZ-OD2 3.77Å; K167-D169 PolarHBondContact NZ-OD2 3.39Å | ||
| 168 | G | 35.7 | Very low | 39.4 | Very low | 79 Ų | 79 | 136.4 Ų | 136.4 | 81% | 0.814 | 76% | 0.76 | S | S | * | * | trans | -93 | 105.4 | 157.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | R166 | R166-G168 PolarHBondContact O-N 3.09Š| ||
| 169 | D | 39 | Very low | 39 | Very low | 101 Ų | 101 | 140.3 Ų | 140.3 | 54% | 0.54 | 76% | 0.762 | S | S | . | * | trans | -171.8 | 116.1 | -173 | 168.2 | 59.3 | 0 | 0 | 0 | 106.5 | K167 | K167-D169 HydrophobicContact CG-CB 4.29Å; K167-D169 IonicContact NZ-OD2 3.77Å; K167-D169 PolarHBondContact NZ-OD2 3.39Å | ||
| 170 | P | 47.7 | Very low | 38.8 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | -127 | -178.5 | 84.2 | 44.1 | -36.2 | 0 | 0 | 0 | 112.3 | |||||
| 171 | D | 34.9 | Very low | 38.1 | Very low | 141 Ų | 141 | 145 Ų | 145 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | cis | -142.3 | -156.2 | 8 | -144.9 | 5.8 | 0 | 0 | 0 | 110.7 | ||||
| 172 | P | 49.4 | Very low | 37.6 | Very low | 103 Ų | 103 | 148.2 Ų | 148.2 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | trans | -110.8 | -159.9 | -145.6 | 31.6 | -7.2 | 0 | 0 | 0 | 113.7 | ||||
| 173 | E | 34 | Very low | 37.3 | Very low | 176 Ų | 176 | 155 Ų | 155 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | 60.6 | 96.5 | 169.5 | -61.2 | -149.4 | 112.8 | 0 | 0 | 118.6 | ||||
| 174 | S | 37 | Very low | 37.1 | Very low | 128 Ų | 128 | 160.5 Ų | 160.5 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | -156.5 | 143.3 | 128.2 | -90.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 175 | R | 34.6 | Very low | 36.8 | Very low | 248 Ų | 248 | 163.8 Ų | 163.8 | 94% | 0.936 | 80% | 0.802 | S | S | * | * | trans | -75.8 | 131.7 | -174.8 | -63.2 | 172.6 | -179.6 | 167.2 | -0.2 | 110.4 | ||||
| 176 | G | 32.8 | Very low | 36.6 | Very low | 81 Ų | 81 | 170.2 Ų | 170.2 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -81.1 | 157.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 177 | Q | 32.3 | Very low | 36.1 | Very low | 199 Ų | 199 | 168.2 Ų | 168.2 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | trans | -141.9 | 150.3 | 170.3 | -156 | 169.1 | 4.4 | 0 | 0 | 113.9 | ||||
| 178 | R | 34.8 | Very low | 36.2 | Very low | 217 Ų | 217 | 166.6 Ų | 166.6 | 82% | 0.819 | 81% | 0.812 | S | S | * | * | trans | -63.8 | 146.3 | -162.8 | -57.9 | 164.7 | -169.7 | -112.9 | 2.1 | 116.2 | ||||
| 179 | H | 39.7 | Very low | 36.3 | Very low | 171 Ų | 171 | 174.9 Ų | 174.9 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | trans | 10.6 | 126.1 | 154.8 | -35 | -78.6 | 0 | 0 | 0 | 121.1 | ||||
| 180 | H | 33.8 | Very low | 35.8 | Very low | 170 Ų | 170 | 173.3 Ų | 173.3 | 79% | 0.787 | 83% | 0.827 | S | S | * | * | -155.4 | 179.9 | 118.5 | -125.5 | 66.1 | 0 | 0 | 0 | 116 | |||||
| 181 | R | 37.6 | Very low | 35.1 | Very low | 218 Ų | 218 | 173.8 Ų | 173.8 | 82% | 0.823 | 83% | 0.833 | S | S | * | * | trans | -90.8 | 162.6 | -160.9 | -66 | 166.9 | 163.4 | 150.7 | -10.9 | 115 | ||||
| 182 | H | 39.2 | Very low | 35 | Very low | 175 Ų | 175 | 172.6 Ų | 172.6 | 81% | 0.81 | 84% | 0.836 | S | S | * | * | trans | -45.1 | 139.9 | 161.4 | -78.2 | -68.7 | 0 | 0 | 0 | 114.1 | ||||
| 183 | R | 38.4 | Very low | 34.1 | Very low | 231 Ų | 231 | 170.9 Ų | 170.9 | 87% | 0.872 | 84% | 0.836 | S | S | * | * | -156.9 | 177.1 | 126 | -117.8 | -179.7 | -68.6 | 173.3 | 0.7 | 111.4 | |||||
| 184 | Y | 32.5 | Very low | 34.1 | Very low | 201 Ų | 201 | 167.2 Ų | 167.2 | 79% | 0.788 | 84% | 0.837 | S | S | * | * | trans | -98.9 | 167.3 | -157.7 | -48.5 | -86 | 0 | 0 | 0 | 114.8 | ||||
| 185 | F | 31.1 | Very low | 33.9 | Very low | 186 Ų | 186 | 171.2 Ų | 171.2 | 82% | 0.816 | 84% | 0.838 | S | S | * | * | trans | 77 | 89.9 | 141.1 | -127.1 | -103.7 | 0 | 0 | 0 | 119.8 | ||||
| 186 | R | 31.9 | Very low | 33.6 | Very low | 231 Ų | 231 | 162.8 Ų | 162.8 | 87% | 0.872 | 83% | 0.828 | S | S | * | * | 173.5 | 153 | 103.2 | -86.8 | -163.3 | -152.4 | -124.5 | 8.4 | 110.8 | |||||
| 187 | K | 30.3 | Very low | 34.1 | Very low | 207 Ų | 207 | 164.7 Ų | 164.7 | 90% | 0.9 | 82% | 0.824 | S | S | * | * | trans | -98.4 | 133.2 | 163.5 | -77.7 | 166.7 | 172.2 | 172.2 | 0 | 109.2 | ||||
| 188 | S | 34.4 | Very low | 34 | Very low | 124 Ų | 124 | 164.2 Ų | 164.2 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | trans | -83.5 | 171.8 | 149.5 | 54.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 189 | R | 36.1 | Very low | 34.5 | Very low | 253 Ų | 253 | 160.7 Ų | 160.7 | 96% | 0.955 | 82% | 0.818 | S | S | * | * | trans | -138.2 | 145 | -160.7 | -163.5 | -174.4 | -166 | -162.1 | 6.2 | 112.6 | ||||
| 190 | G | 29.8 | Very low | 34.3 | Very low | 68 Ų | 68 | 160.5 Ų | 160.5 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | trans | 93.4 | 150.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 191 | S | 33.1 | Very low | 34.7 | Very low | 121 Ų | 121 | 160.2 Ų | 160.2 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | cis | -167.5 | 159.1 | -7.5 | -91.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 192 | S | 32.5 | Very low | 34.7 | Very low | 117 Ų | 117 | 154.9 Ų | 154.9 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | cis | -171.5 | 158.1 | -11.9 | 45.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 193 | G | 31.2 | Very low | 34.9 | Very low | 66 Ų | 66 | 152 Ų | 152 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | cis | 169.6 | -166.2 | 4.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 194 | A | 33.9 | Very low | 35.2 | Very low | 100 Ų | 100 | 147.2 Ų | 147.2 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | 64.8 | 133.4 | 174 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 195 | K | 32.1 | Very low | 35.2 | Very low | 212 Ų | 212 | 145.5 Ų | 145.5 | 92% | 0.922 | 82% | 0.815 | S | S | * | * | cis | -133.3 | 148.7 | 1.1 | -62.8 | -179.8 | -179.1 | 178 | 0 | 109.9 | ||||
| 196 | G | 28.5 | Very low | 35.2 | Very low | 71 Ų | 71 | 142.1 Ų | 142.1 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | trans | -170.3 | 90.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 197 | T | 43.5 | Very low | 35.3 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | trans | 29.6 | 115.7 | 151.8 | -40.8 | 0 | 0 | 0 | 0 | 120.8 | L199 | T197-L199 HydrophobicContact CG2-CG 4.39Š| ||
| 198 | E | 29 | Very low | 35.4 | Very low | 189 Ų | 189 | 136.4 Ų | 136.4 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | -115.4 | 127.2 | 129.5 | -68.1 | -171.2 | 152.5 | 0 | 0 | 105.8 | |||||
| 199 | L | 46.6 | Very low | 35.8 | Very low | 143 Ų | 143 | 133.9 Ų | 133.9 | 75% | 0.749 | 80% | 0.804 | S | S | * | * | 69.4 | 101.3 | 57.3 | -67.4 | -179 | 0 | 0 | 0 | 113.7 | T197 | T197-L199 HydrophobicContact CG2-CG 4.39Š| |||
| 200 | L | 34.3 | Very low | 36.2 | Very low | 167 Ų | 167 | 128 Ų | 128 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -166.5 | 120.2 | 132 | -105 | 162.1 | 0 | 0 | 0 | 111.3 | ||||
| 201 | M | 43.3 | Very low | 36.9 | Very low | 164 Ų | 164 | 129.4 Ų | 129.4 | 81% | 0.808 | 80% | 0.804 | S | S | * | * | trans | 42.4 | 117.8 | 160.1 | -70 | -79.8 | 92.1 | 0 | 0 | 121.9 | ||||
| 202 | P | 37 | Very low | 37.3 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 69% | 0.688 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 150.9 | 146.5 | 35.9 | -29.8 | 0 | 0 | 0 | 112.7 | ||
| 203 | P | 43.6 | Very low | 38 | Very low | 114 Ų | 114 | 128.3 Ų | 128.3 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 173.1 | 174.2 | 34.4 | -36.2 | 0 | 0 | 0 | 112.7 | ||
| 204 | P | 43.5 | Very low | 38.9 | Very low | 131 Ų | 131 | 130.9 Ų | 130.9 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 149.5 | -160.3 | 30.9 | -36.4 | 0 | 0 | 0 | 115 | ||
| 205 | I | 33.2 | Very low | 39.4 | Very low | 165 Ų | 165 | 130.4 Ų | 130.4 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -122.6 | 141 | 170.3 | -62 | 177.3 | 0 | 0 | 0 | 108.2 | ||||
| 206 | S | 32.5 | Very low | 40.6 | Very low | 114 Ų | 114 | 121.6 Ų | 121.6 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | trans | -59.2 | 148.3 | -170.4 | -55.3 | 0 | 0 | 0 | 0 | 114.9 | G208 | S206-G208 PolarHBondContact O-N 3.43Š| ||
| 207 | Y | 33.5 | Very low | 41.6 | Very low | 247 Ų | 247 | 124.1 Ų | 124.1 | 97% | 0.969 | 75% | 0.749 | S | S | * | * | trans | -63.2 | 103.3 | 171.1 | -86 | -97.1 | 0 | 0 | 0 | 111.6 | ||||
| 208 | G | 30.9 | Very low | 41.6 | Very low | 72 Ų | 72 | 129 Ų | 129 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 134.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | S206 | S206-G208 PolarHBondContact O-N 3.43Š|
| 209 | G | 44.2 | Very low | 42.3 | Very low | 70 Ų | 70 | 126 Ų | 126 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 171.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 210 | P | 43.5 | Very low | 42.9 | Very low | 130 Ų | 130 | 123.6 Ų | 123.6 | 84% | 0.844 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 151.1 | 175.3 | 29.7 | -35.4 | 0 | 0 | 0 | 111.8 | ||
| 211 | A | 44.2 | Very low | 43.5 | Very low | 97 Ų | 97 | 121.9 Ų | 121.9 | 80% | 0.802 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 135.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 212 | P | 42.1 | Very low | 43.4 | Very low | 120 Ų | 120 | 118 Ų | 118 | 78% | 0.779 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 142.8 | 179.4 | 30.9 | -34.7 | 0 | 0 | 0 | 111.7 | ||
| 213 | S | 46.9 | Very low | 44 | Very low | 95 Ų | 95 | 116.9 Ų | 116.9 | 66% | 0.664 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 147.3 | 157.7 | 40.9 | 0 | 0 | 0 | 0 | 109.9 | L215 | S213-L215 PolarHBondContact O-N 3.35Š|
| 214 | P | 51.3 | Low | 43.9 | Very low | 121 Ų | 121 | 118.4 Ų | 118.4 | 79% | 0.786 | 71% | 0.712 | S | S | * | * | trans | -68.8 | 106.4 | -174.9 | 27 | -34.2 | 0 | 0 | 0 | 111.1 | ||||
| 215 | L | 44.5 | Very low | 43.8 | Very low | 90 Ų | 90 | 117.7 Ų | 117.7 | 47% | 0.471 | 71% | 0.708 | S | S | . | * | trans | -66.6 | 148.7 | 168.7 | -68.1 | 174.9 | 0 | 0 | 0 | 110.2 | S213 F219 Q220 | S213-L215 PolarHBondContact O-N 3.35Å; L215-F219 HydrophobicContact CB-CB 4.4Å; L215-F219 WeakPolarHBondContact CD1-O 3.38Å; L215-Q220 HydrophobicContact CB-CG 4.35Å; L215-Q220 PolarHBondContact O-NE2 3.09Å | ||
| 216 | P | 56.1 | Low | 44.1 | Very low | 27 Ų | 27 | 120.2 Ų | 120.2 | 18% | 0.175 | 71% | 0.707 | C | S | . | * | trans | -58.2 | 151.8 | 176.3 | 20.4 | -30.2 | 0 | 0 | 0 | 111.7 | W81 R218 F219 | W81-P216 HydrophobicContact CH2-CB 4.29Å; W81-P216 HydrophobicContact CH2-CG 4.27Å; W81-P216 HydrophobicContact CZ2-CB 3.81Å; W81-P216 HydrophobicContact CZ2-CG 4.19Å; P216-R218 PolarHBondContact O-N 2.87Å; P216-F219 HydrophobicContact CG-CD2 4.22Å; P216-F219 PolarHBondContact O-N 2.91Å | ||
| 217 | P | 49.3 | Very low | 44.8 | Very low | 124 Ų | 124 | 119.6 Ų | 119.6 | 81% | 0.805 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -56.2 | -23.9 | -163.1 | -29.8 | 36.2 | 0 | 0 | 0 | 116.8 | F219 | P217-F219 VanDerWaalsContact C-N 3.27Å; P217-F219 PolarHBondContact O-N 3.33Å |
| 218 | R | 43.9 | Very low | 45.3 | Very low | 224 Ų | 224 | 113.8 Ų | 113.8 | 85% | 0.845 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -73.3 | -13.9 | 177.8 | -169.7 | 173.4 | 178.4 | 91.9 | 0.1 | 114 | P216 | P216-R218 PolarHBondContact O-N 2.87Š|
| 219 | F | 44.1 | Very low | 46.1 | Very low | 124 Ų | 124 | 117.4 Ų | 117.4 | 54% | 0.544 | 69% | 0.694 | S | S | . | * | G | 310 helix | trans | -122.9 | 17.6 | -171.4 | -65.7 | -81.3 | 0 | 0 | 0 | 114 | L215 P216 P217 | L215-F219 HydrophobicContact CB-CB 4.4Å; L215-F219 WeakPolarHBondContact CD1-O 3.38Å; P216-F219 HydrophobicContact CG-CD2 4.22Å; P216-F219 PolarHBondContact O-N 2.91Å; P217-F219 VanDerWaalsContact C-N 3.27Å; P217-F219 PolarHBondContact O-N 3.33Å |
| 220 | Q | 58.6 | Low | 46.2 | Very low | 94 Ų | 94 | 119.2 Ų | 119.2 | 44% | 0.439 | 69% | 0.693 | S | S | . | * | trans | -92 | 123.7 | 171.9 | -62.4 | -171.7 | 10.7 | 0 | 0 | 110.3 | L215 T222 | L215-Q220 HydrophobicContact CB-CG 4.35Å; L215-Q220 PolarHBondContact O-NE2 3.09Å; Q220-T222 VanDerWaalsContact C-N 3.27Å; Q220-T222 PolarHBondContact O-N 3.29Å | ||
| 221 | P | 47.2 | Very low | 46.2 | Very low | 131 Ų | 131 | 118.9 Ų | 118.9 | 85% | 0.851 | 69% | 0.691 | S | S | * | * | trans | -80.5 | 73.1 | 175.1 | 33.2 | -34.5 | 0 | 0 | 0 | 110.4 | G223 | P221-G223 PolarHBondContact O-N 2.9Š| ||
| 222 | T | 41.3 | Very low | 45.8 | Very low | 82 Ų | 82 | 119.5 Ų | 119.5 | 50% | 0.503 | 69% | 0.69 | S | S | . | * | trans | -71.6 | 109.5 | 174.9 | 39.1 | 0 | 0 | 0 | 0 | 110.9 | Q220 H224 | Q220-T222 VanDerWaalsContact C-N 3.27Å; Q220-T222 PolarHBondContact O-N 3.29Å; T222-H224 VanDerWaalsContact C-N 3.31Å; T222-H224 WeakPolarHBondContact CB-NE2 3.15Å; T222-H224 PolarHBondContact O-CD2 2.91Å; T222-H224 VanDerWaalsContact O-CD2 3.22Å; T222-H224 PolarHBondContact O-N 3.28Å; T222-H224 PolarHBondContact OG1-CD2 3.19Å; T222-H224 PolarHBondContact OG1-NE2 3.41Å | ||
| 223 | G | 49 | Very low | 45.8 | Very low | 83 Ų | 83 | 120.4 Ų | 120.4 | 86% | 0.856 | 70% | 0.696 | S | S | * | * | trans | -67.7 | 87.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | P221 | P221-G223 PolarHBondContact O-N 2.9Š| ||
| 224 | H | 41.5 | Very low | 45.6 | Very low | 145 Ų | 145 | 119.6 Ų | 119.6 | 67% | 0.671 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -74 | 145.1 | 174.6 | -71.8 | -81.8 | 0 | 0 | 0 | 111.2 | T222 | T222-H224 VanDerWaalsContact C-N 3.31Å; T222-H224 WeakPolarHBondContact CB-NE2 3.15Å; T222-H224 PolarHBondContact O-CD2 2.91Å; T222-H224 VanDerWaalsContact O-CD2 3.22Å; T222-H224 PolarHBondContact O-N 3.28Å; T222-H224 PolarHBondContact OG1-CD2 3.19Å; T222-H224 PolarHBondContact OG1-NE2 3.41Å |
| 225 | P | 42.6 | Very low | 44.9 | Very low | 116 Ų | 116 | 118.7 Ų | 118.7 | 75% | 0.753 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 142.7 | 172.4 | 27.9 | -34.4 | 0 | 0 | 0 | 110.4 | ||
| 226 | R | 39.1 | Very low | 44.7 | Very low | 218 Ų | 218 | 122.1 Ų | 122.1 | 82% | 0.823 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 124.3 | 178.3 | 170.9 | -176.4 | -70.7 | -154.9 | -0.3 | 110.4 | ||
| 227 | P | 47 | Very low | 43.8 | Very low | 101 Ų | 101 | 127.5 Ų | 127.5 | 66% | 0.656 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 152.5 | 169.7 | 29.7 | -34.6 | 0 | 0 | 0 | 110.6 | ||
| 228 | P | 44.4 | Very low | 43.1 | Very low | 126 Ų | 126 | 131 Ų | 131 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 148.1 | 177.6 | 27 | -34.7 | 0 | 0 | 0 | 111.3 | ||
| 229 | L | 46.6 | Very low | 42.7 | Very low | 148 Ų | 148 | 127.1 Ų | 127.1 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 142.1 | 176.2 | -70.6 | 164.6 | 0 | 0 | 0 | 110.4 | ||
| 230 | P | 47.7 | Very low | 42.7 | Very low | 108 Ų | 108 | 124.6 Ų | 124.6 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 147.4 | 172.5 | 29.6 | -34.6 | 0 | 0 | 0 | 110.8 | ||
| 231 | P | 42.2 | Very low | 42 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 140 | 174.8 | 29.1 | -34.3 | 0 | 0 | 0 | 111 | ||
| 232 | S | 37.1 | Very low | 41.3 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 140.6 | 179.3 | -52 | 0 | 0 | 0 | 0 | 111.9 | G234 | S232-G234 PolarHBondContact O-N 3.05Å; S232-G234 VanDerWaalsContact O-N 3.08Å |
| 233 | P | 40.5 | Very low | 41.6 | Very low | 139 Ų | 139 | 130.4 Ų | 130.4 | 90% | 0.903 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -74.3 | 101.2 | -178.7 | 29.7 | -34 | 0 | 0 | 0 | 110.8 | ||
| 234 | G | 44.7 | Very low | 41.5 | Very low | 78 Ų | 78 | 131.7 Ų | 131.7 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -173.4 | 27.9 | -173 | 0 | 0 | 0 | 0 | 0 | 117.8 | S232 | S232-G234 PolarHBondContact O-N 3.05Å; S232-G234 VanDerWaalsContact O-N 3.08Å | ||
| 235 | A | 35.5 | Very low | 41.1 | Very low | 102 Ų | 102 | 131.5 Ų | 131.5 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | trans | -145.1 | 141.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 236 | L | 41.3 | Very low | 40.7 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | trans | -68.1 | 163.9 | 175 | -52.7 | 165.3 | 0 | 0 | 0 | 109.8 | ||||
| 237 | T | 37.1 | Very low | 40.3 | Very low | 139 Ų | 139 | 132.1 Ų | 132.1 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | cis | -156.4 | 174.4 | 28.3 | -34.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 238 | Y | 34.4 | Very low | 39.6 | Very low | 197 Ų | 197 | 134.2 Ų | 134.2 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | -96.6 | 135.7 | -175.8 | 171.4 | -87.6 | 0 | 0 | 0 | 113.5 | P240 | Y238-P240 HydrophobicContact CE1-CB 4.38Å; Y238-P240 HydrophobicContact CE1-CG 3.78Å; Y238-P240 HydrophobicContact CE2-CB 4.49Å | ||
| 239 | D | 34.5 | Very low | 39.2 | Very low | 143 Ų | 143 | 134.3 Ų | 134.3 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | trans | -153.1 | 125.3 | 160.3 | -167.1 | -14.8 | 0 | 0 | 0 | 110 | ||||
| 240 | P | 45.6 | Very low | 38.4 | Very low | 72 Ų | 72 | 131.9 Ų | 131.9 | 47% | 0.468 | 78% | 0.783 | S | S | . | * | trans | -107.1 | 22.6 | -167.4 | 41 | -36.5 | 0 | 0 | 0 | 117.1 | Y238 | Y238-P240 HydrophobicContact CE1-CB 4.38Å; Y238-P240 HydrophobicContact CE1-CG 3.78Å; Y238-P240 HydrophobicContact CE2-CB 4.49Å | ||
| 241 | Y | 42.3 | Very low | 37.7 | Very low | 209 Ų | 209 | 131.1 Ų | 131.1 | 82% | 0.82 | 79% | 0.786 | S | S | * | * | trans | -136.4 | 88.2 | -175.6 | -83.5 | -79 | 0 | 0 | 0 | 117.4 | ||||
| 242 | A | 32.6 | Very low | 37.2 | Very low | 100 Ų | 100 | 137 Ų | 137 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -169.3 | 127.8 | 152.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 243 | P | 47.9 | Very low | 37.1 | Very low | 119 Ų | 119 | 136 Ų | 136 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -114.9 | 151.6 | 159.2 | 37.4 | -28.6 | 0 | 0 | 0 | 112.4 | ||||
| 244 | P | 47 | Very low | 37.3 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | -152.8 | 143.5 | 118.1 | 33.8 | -14.5 | 0 | 0 | 0 | 118.5 | |||||
| 245 | H | 33.8 | Very low | 36.8 | Very low | 141 Ų | 141 | 142.1 Ų | 142.1 | 65% | 0.653 | 79% | 0.787 | S | S | * | * | trans | 29 | 138.8 | 137.4 | -44 | -53.8 | 0 | 0 | 0 | 124.7 | ||||
| 246 | H | 33.5 | Very low | 36.6 | Very low | 197 Ų | 197 | 148.3 Ų | 148.3 | 91% | 0.912 | 79% | 0.79 | S | S | * | * | -141.3 | 165 | 129.3 | -84.3 | -55.7 | 0 | 0 | 0 | 110.6 | |||||
| 247 | H | 30.1 | Very low | 35.9 | Very low | 151 Ų | 151 | 144.3 Ų | 144.3 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | trans | -134.9 | 158.1 | -167.3 | -46.2 | -103.3 | 0 | 0 | 0 | 112.5 | ||||
| 248 | T | 32 | Very low | 35.6 | Very low | 145 Ų | 145 | 147 Ų | 147 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | trans | -164.2 | 159.5 | 141.8 | 17.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 249 | P | 37.6 | Very low | 35.3 | Very low | 127 Ų | 127 | 142.8 Ų | 142.8 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -107.1 | -170 | -165.3 | 42.2 | -36.6 | 0 | 0 | 0 | 115.4 | ||||
| 250 | A | 29.2 | Very low | 35.2 | Very low | 98 Ų | 98 | 141.4 Ų | 141.4 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -141.7 | 169.5 | -174 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 251 | A | 32.5 | Very low | 35 | Very low | 92 Ų | 92 | 143.2 Ų | 143.2 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | trans | 76.1 | 160.4 | 172 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 252 | R | 31.9 | Very low | 34.4 | Very low | 244 Ų | 244 | 138.2 Ų | 138.2 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | cis | -157.7 | 174.6 | 7.7 | -148.9 | 172.5 | -164.7 | 128.8 | 1.2 | 111.8 | ||||
| 253 | A | 34.7 | Very low | 34.6 | Very low | 90 Ų | 90 | 143 Ų | 143 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | trans | -123.6 | 154.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 254 | P | 44.4 | Very low | 33.9 | Very low | 121 Ų | 121 | 146 Ų | 146 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | -141.3 | 178.7 | 153.6 | 40.2 | -25.2 | 0 | 0 | 0 | 113.5 | ||||
| 255 | R | 35.2 | Very low | 33.3 | Very low | 226 Ų | 226 | 147.8 Ų | 147.8 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | cis | -160.7 | 155.9 | -39.9 | -100.3 | -167.7 | 178.9 | -160.1 | -0.7 | 109.6 | ||||
| 256 | Y | 30.3 | Very low | 33 | Very low | 231 Ų | 231 | 147.5 Ų | 147.5 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | trans | 3.4 | 144.5 | 158.7 | -71 | -90.3 | 0 | 0 | 0 | 123.7 | ||||
| 257 | G | 27.9 | Very low | 32.9 | Very low | 78 Ų | 78 | 146.9 Ų | 146.9 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -162.7 | 157 | 158.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 258 | M | 30.3 | Very low | 33.1 | Very low | 195 Ų | 195 | 148.8 Ų | 148.8 | 96% | 0.961 | 80% | 0.8 | S | S | * | * | trans | -145.1 | 137.1 | -170 | 177.4 | 150.6 | 59.5 | 0 | 0 | 113.9 | ||||
| 259 | S | 28.9 | Very low | 33.4 | Very low | 109 Ų | 109 | 147.2 Ų | 147.2 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | -165.7 | 156.2 | 162.6 | -166.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 260 | S | 31.7 | Very low | 33.3 | Very low | 114 Ų | 114 | 149.7 Ų | 149.7 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | -169.7 | 140.3 | 165.5 | -75.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 261 | P | 41.3 | Very low | 33.6 | Very low | 110 Ų | 110 | 147.8 Ų | 147.8 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | -155.7 | 156.8 | 124.8 | 38.4 | -20.1 | 0 | 0 | 0 | 118.6 | |||||
| 262 | T | 30.2 | Very low | 34.2 | Very low | 104 Ų | 104 | 149.7 Ų | 149.7 | 64% | 0.638 | 79% | 0.785 | S | S | * | * | trans | 55.5 | 109.3 | 143.7 | 54.3 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 263 | R | 36.3 | Very low | 34.1 | Very low | 202 Ų | 202 | 145.1 Ų | 145.1 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | 31.3 | 133 | 115.4 | -57.3 | -175 | -69.6 | -150.9 | -0.6 | 120.1 | |||||
| 264 | F | 32.1 | Very low | 33.8 | Very low | 181 Ų | 181 | 148.7 Ų | 148.7 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | -173 | 174.3 | 98.4 | -103.1 | -69.2 | 0 | 0 | 0 | 115 | |||||
| 265 | L | 36.4 | Very low | 33.2 | Very low | 147 Ų | 147 | 146.8 Ų | 146.8 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | -84.9 | -176.3 | -170.2 | -56.4 | 164.2 | 0 | 0 | 0 | 111.4 | ||||
| 266 | N | 27.4 | Very low | 32.8 | Very low | 136 Ų | 136 | 144 Ų | 144 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | cis | -166.5 | 121.1 | 25.8 | -157.8 | 3.3 | 0 | 0 | 0 | 115.3 | ||||
| 267 | R | 31.2 | Very low | 32.7 | Very low | 183 Ų | 183 | 141.8 Ų | 141.8 | 69% | 0.691 | 75% | 0.748 | S | S | * | * | trans | 16.6 | 133.6 | 138.5 | -168.8 | -178.3 | -175.5 | -121 | 10.4 | 122.6 | L269 | R267-L269 HydrophobicContact CG-CG 4.25Š| ||
| 268 | Q | 33.5 | Very low | 33 | Very low | 191 Ų | 191 | 145.7 Ų | 145.7 | 89% | 0.893 | 75% | 0.745 | S | S | * | * | trans | -158.4 | 107.6 | 137.8 | -103.1 | 162.9 | 68 | 0 | 0 | 107.3 | ||||
| 269 | L | 37.7 | Very low | 33.3 | Very low | 112 Ų | 112 | 142.6 Ų | 142.6 | 59% | 0.586 | 74% | 0.739 | S | S | * | * | 61.8 | 109.5 | 74.2 | -80.5 | -174.9 | 0 | 0 | 0 | 116 | R267 | R267-L269 HydrophobicContact CG-CG 4.25Š| |||
| 270 | I | 35.3 | Very low | 33.4 | Very low | 179 Ų | 179 | 140.9 Ų | 140.9 | 92% | 0.918 | 74% | 0.739 | S | S | * | * | -174.3 | 147.7 | 109.9 | -93.5 | 157.1 | 0 | 0 | 0 | 110.2 | |||||
| 271 | G | 35.8 | Very low | 33.5 | Very low | 59 Ų | 59 | 147.5 Ų | 147.5 | 61% | 0.608 | 75% | 0.747 | S | S | * | * | trans | 174.4 | 159.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 272 | P | 46.2 | Very low | 33.6 | Very low | 132 Ų | 132 | 153.7 Ų | 153.7 | 86% | 0.857 | 76% | 0.756 | S | S | * | * | trans | -99.9 | 113.4 | 169.6 | 33.8 | -25.4 | 0 | 0 | 0 | 109.9 | ||||
| 273 | H | 29.3 | Very low | 33.6 | Very low | 147 Ų | 147 | 159.6 Ų | 159.6 | 68% | 0.681 | 77% | 0.768 | S | S | * | * | 78.8 | 100.9 | 53.7 | -173 | -73.9 | 0 | 0 | 0 | 114.4 | T275 | H273-T275 WeakPolarHBondContact NE2-CG2 3.45Š| |||
| 274 | L | 28.5 | Very low | 33.4 | Very low | 166 Ų | 166 | 159.1 Ų | 159.1 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | trans | -139.6 | 139.1 | 141.6 | -162.1 | 62.9 | 0 | 0 | 0 | 109.2 | ||||
| 275 | T | 31.8 | Very low | 33.3 | Very low | 80 Ų | 80 | 158.4 Ų | 158.4 | 49% | 0.491 | 77% | 0.766 | S | S | . | * | trans | -90.5 | 172.3 | -172.3 | 30.8 | 0 | 0 | 0 | 0 | 111.9 | H273 | H273-T275 WeakPolarHBondContact NE2-CG2 3.45Š| ||
| 276 | Y | 27.4 | Very low | 33.3 | Very low | 167 Ų | 167 | 157.3 Ų | 157.3 | 66% | 0.655 | 76% | 0.762 | S | S | * | * | cis | -166.3 | 155.4 | 40.8 | -126 | -59.4 | 0 | 0 | 0 | 113.2 | ||||
| 277 | Y | 28.1 | Very low | 33.3 | Very low | 186 Ų | 186 | 161.2 Ų | 161.2 | 73% | 0.729 | 77% | 0.768 | S | S | * | * | trans | 61.6 | 151.6 | 165.9 | -66.7 | -77.8 | 0 | 0 | 0 | 119.4 | ||||
| 278 | H | 33.8 | Very low | 33.4 | Very low | 159 Ų | 159 | 160.1 Ų | 160.1 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | -165.7 | 132.3 | -60.5 | -111.5 | -64.6 | 0 | 0 | 0 | 108.2 | |||||
| 279 | P | 36.3 | Very low | 33.1 | Very low | 130 Ų | 130 | 156.5 Ų | 156.5 | 84% | 0.844 | 76% | 0.757 | S | S | * | * | trans | -92.3 | 134.9 | -179.5 | 33.6 | -32.5 | 0 | 0 | 0 | 113.4 | ||||
| 280 | G | 31.8 | Very low | 32.8 | Very low | 74 Ų | 74 | 160.7 Ų | 160.7 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | trans | 125.5 | 92 | 152.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 281 | R | 33 | Very low | 32.3 | Very low | 252 Ų | 252 | 156.2 Ų | 156.2 | 95% | 0.951 | 76% | 0.756 | S | S | * | * | trans | -136.9 | 156.9 | 137.2 | -72.1 | -160.5 | -168.2 | -84.4 | 4.6 | 109 | ||||
| 282 | R | 44 | Very low | 32.1 | Very low | 240 Ų | 240 | 162.8 Ų | 162.8 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | trans | -85.4 | 146.2 | 174.6 | -52.6 | 178.9 | -174.2 | -174.9 | 1.7 | 109.6 | ||||
| 283 | Y | 29.4 | Very low | 31.3 | Very low | 229 Ų | 229 | 165.9 Ų | 165.9 | 90% | 0.898 | 76% | 0.763 | S | S | * | * | trans | -153.5 | 156.8 | 136.4 | -119.2 | -80 | 0 | 0 | 0 | 110.1 | ||||
| 284 | Y | 32.4 | Very low | 31.5 | Very low | 192 Ų | 192 | 164.4 Ų | 164.4 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | trans | -69.3 | 144.6 | 166.7 | -120.2 | -112.1 | 0 | 0 | 0 | 109.1 | ||||
| 285 | Q | 30.1 | Very low | 32 | Very low | 165 Ų | 165 | 166.5 Ų | 166.5 | 77% | 0.771 | 77% | 0.766 | S | S | * | * | trans | -147.3 | 99.3 | 165.4 | -153 | 80.7 | 66.4 | 0 | 0 | 108.8 | ||||
| 286 | D | 35.5 | Very low | 32.4 | Very low | 125 Ų | 125 | 173.6 Ų | 173.6 | 67% | 0.668 | 78% | 0.783 | S | S | * | * | trans | -66.2 | 142.1 | 175.3 | -50.8 | -86.6 | 0 | 0 | 0 | 110.5 | ||||
| 287 | Y | 29 | Very low | 32.3 | Very low | 218 Ų | 218 | 171.4 Ų | 171.4 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | -144.9 | 79.3 | 170.4 | -106.8 | -75.9 | 0 | 0 | 0 | 111 | ||||
| 288 | E | 31.9 | Very low | 32.4 | Very low | 159 Ų | 159 | 174.4 Ų | 174.4 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | trans | -75.2 | 174.1 | 150.8 | -71.2 | -157.7 | 141.7 | 0 | 0 | 111.2 | ||||
| 289 | N | 27.8 | Very low | 32.5 | Very low | 116 Ų | 116 | 178.2 Ų | 178.2 | 62% | 0.62 | 81% | 0.81 | S | S | * | * | trans | 79.8 | 83.3 | 153.2 | -63 | -53.1 | 0 | 0 | 0 | 119.1 | ||||
| 290 | Y | 30.9 | Very low | 32.6 | Very low | 199 Ų | 199 | 180.7 Ų | 180.7 | 78% | 0.78 | 81% | 0.81 | S | S | * | * | 49.1 | 123.2 | 127.8 | -65.1 | -74.9 | 0 | 0 | 0 | 121.3 | |||||
| 291 | A | 26 | Very low | 32.7 | Very low | 85 Ų | 85 | 184.6 Ų | 184.6 | 70% | 0.702 | 81% | 0.813 | S | S | * | * | trans | -146.7 | 71 | 140.7 | 0 | 0 | 0 | 0 | 0 | 113 | R293 | A291-R293 PolarHBondContact O-N 3.47Å; A291-R293 VanDerWaalsContact O-N 3.12Å | ||
| 292 | F | 31.6 | Very low | 32.7 | Very low | 197 Ų | 197 | 180.3 Ų | 180.3 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -61 | 114 | 157.1 | -96.5 | -86.9 | 0 | 0 | 0 | 108.5 | ||||
| 293 | R | 29.4 | Very low | 32.2 | Very low | 198 Ų | 198 | 173.9 Ų | 173.9 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | trans | -129.4 | 74.7 | 170.7 | -69.8 | -159.1 | -173.8 | -81.1 | 7.6 | 112.1 | A291 R295 | A291-R293 PolarHBondContact O-N 3.47Å; A291-R293 VanDerWaalsContact O-N 3.12Å; R293-R295 PolarHBondContact O-N 2.63Å | ||
| 294 | S | 32.3 | Very low | 32.3 | Very low | 115 Ų | 115 | 169.3 Ų | 169.3 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -60.5 | 121.6 | 151.6 | -179.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 295 | R | 39 | Very low | 32.5 | Very low | 211 Ų | 211 | 165.9 Ų | 165.9 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | trans | -116.1 | 102.9 | 162.8 | -78.3 | -168.7 | 173.5 | -147.3 | 2.2 | 106.7 | R293 | R293-R295 PolarHBondContact O-N 2.63Š| ||
| 296 | R | 39.8 | Very low | 32.7 | Very low | 228 Ų | 228 | 165.5 Ų | 165.5 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | 81.2 | 119.1 | 78.2 | -86 | -169.8 | 178 | -165 | 0.5 | 112.2 | |||||
| 297 | S | 26.7 | Very low | 32.7 | Very low | 121 Ų | 121 | 166.6 Ų | 166.6 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -152.4 | 103.7 | 148.9 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 298 | R | 29.6 | Very low | 32.7 | Very low | 249 Ų | 249 | 162.3 Ų | 162.3 | 94% | 0.94 | 80% | 0.804 | S | S | * | * | trans | -156.6 | 159 | 139.4 | -120.9 | -178.1 | 179.4 | -161.6 | -1.5 | 109.6 | ||||
| 299 | R | 37 | Very low | 32.8 | Very low | 239 Ų | 239 | 163.4 Ų | 163.4 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -90.9 | 170.9 | -169.1 | -68.9 | 175 | 170 | 163.6 | -6 | 112.1 | ||||
| 300 | H | 36.9 | Very low | 32.8 | Very low | 182 Ų | 182 | 168.1 Ų | 168.1 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | trans | -54.3 | 161.1 | 172.5 | -61.3 | 165.2 | 0 | 0 | 0 | 113.4 | ||||
| 301 | L | 33.7 | Very low | 32.6 | Very low | 157 Ų | 157 | 161.4 Ų | 161.4 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | -155.9 | 139.4 | 113 | -96.9 | 172.2 | 0 | 0 | 0 | 110.9 | |||||
| 302 | L | 33.6 | Very low | 32.8 | Very low | 161 Ų | 161 | 167.2 Ų | 167.2 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | trans | 32.8 | 118.7 | 152.9 | -59.2 | 169.8 | 0 | 0 | 0 | 121.4 | ||||
| 303 | A | 33.5 | Very low | 34.1 | Very low | 106 Ų | 106 | 163.5 Ų | 163.5 | 88% | 0.876 | 82% | 0.821 | S | S | * | * | trans | -144.6 | 131.5 | 144.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 304 | V | 32.2 | Very low | 34.1 | Very low | 132 Ų | 132 | 158.9 Ų | 158.9 | 80% | 0.8 | 83% | 0.825 | S | S | * | * | trans | -52.7 | 141.6 | -171.3 | 167.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 305 | S | 36.3 | Very low | 34 | Very low | 121 Ų | 121 | 162.6 Ų | 162.6 | 85% | 0.846 | 83% | 0.83 | S | S | * | * | trans | -77.1 | 137.9 | 165.9 | -175.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 306 | K | 34.7 | Very low | 33.6 | Very low | 156 Ų | 156 | 156.4 Ų | 156.4 | 68% | 0.678 | 82% | 0.824 | S | S | * | * | trans | -161.3 | 136.4 | -178.6 | -107.6 | 174.9 | 163.3 | -83.7 | 0 | 106.4 | ||||
| 307 | E | 35.2 | Very low | 33.4 | Very low | 149 Ų | 149 | 151.2 Ų | 151.2 | 70% | 0.696 | 82% | 0.817 | S | S | * | * | cis | -121.5 | 177.5 | 9.2 | -121.2 | 74.1 | -152.9 | 0 | 0 | 112.3 | ||||
| 308 | C | 29.2 | Very low | 33.8 | Very low | 128 Ų | 128 | 153.1 Ų | 153.1 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | trans | -93.7 | 172.3 | -177.2 | -64.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 309 | Q | 34.7 | Very low | 34.2 | Very low | 181 Ų | 181 | 149.8 Ų | 149.8 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -71.4 | 154.9 | -178 | -57.4 | 142.4 | -52.7 | 0 | 0 | 114.4 | ||||
| 310 | F | 27.4 | Very low | 34.1 | Very low | 215 Ų | 215 | 142.8 Ų | 142.8 | 94% | 0.943 | 80% | 0.801 | S | S | * | * | trans | 175.7 | 140.8 | 141.9 | -109.7 | -80.3 | 0 | 0 | 0 | 108.5 | ||||
| 311 | G | 26.3 | Very low | 34.1 | Very low | 59 Ų | 59 | 138.3 Ų | 138.3 | 61% | 0.608 | 80% | 0.796 | S | S | * | * | cis | 173 | 137.8 | -15.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 312 | F | 29.7 | Very low | 34.2 | Very low | 206 Ų | 206 | 137.7 Ų | 137.7 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | trans | 68 | 161.4 | 161.2 | -65.7 | -71.6 | 0 | 0 | 0 | 121.2 | ||||
| 313 | P | 58.5 | Low | 34.2 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -131.4 | -179.3 | -150.2 | 45.6 | -30.8 | 0 | 0 | 0 | 116.7 | ||||
| 314 | A | 30.7 | Very low | 34.3 | Very low | 101 Ų | 101 | 139.7 Ų | 139.7 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -156.7 | 165.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 315 | E | 29.7 | Very low | 35.5 | Very low | 193 Ų | 193 | 138.2 Ų | 138.2 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | trans | -75 | -180 | -178.7 | -51.8 | 164.5 | 128.3 | 0 | 0 | 112 | ||||
| 316 | A | 31.2 | Very low | 36.1 | Very low | 81 Ų | 81 | 138 Ų | 138 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | cis | -167.1 | 176.1 | 20.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 317 | V | 34.1 | Very low | 36 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | trans | 67.5 | 141.6 | 150.8 | 161.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 318 | E | 36.4 | Very low | 35.9 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | cis | -168.3 | 161.2 | -12.6 | -100.6 | 162.2 | -154.6 | 0 | 0 | 105.3 | ||||
| 319 | E | 36.7 | Very low | 36 | Very low | 179 Ų | 179 | 140.3 Ų | 140.3 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | cis | -157.1 | -164 | -11.3 | 179.2 | 156.9 | 83.6 | 0 | 0 | 108.2 | ||||
| 320 | A | 36.4 | Very low | 36 | Very low | 91 Ų | 91 | 142.1 Ų | 142.1 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -33.1 | 164.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 321 | A | 36.6 | Very low | 36.3 | Very low | 89 Ų | 89 | 140.4 Ų | 140.4 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | cis | -139.8 | 157.7 | 15.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 322 | D | 34.4 | Very low | 36.8 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | cis | 67.8 | 127.4 | 46.7 | -126.3 | 25.9 | 0 | 0 | 0 | 111.9 | ||||
| 323 | L | 35.4 | Very low | 37.2 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | cis | -144.3 | 179.8 | 25.1 | -87.9 | 164.9 | 0 | 0 | 0 | 114.4 | ||||
| 324 | D | 34.1 | Very low | 36.3 | Very low | 154 Ų | 154 | 145 Ų | 145 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | -78.5 | 170.5 | -173.8 | -119.5 | -5.1 | 0 | 0 | 0 | 117 | ||||
| 325 | P | 58.7 | Low | 36.4 | Very low | 101 Ų | 101 | 144.7 Ų | 144.7 | 66% | 0.656 | 79% | 0.787 | S | S | * | * | trans | -92.6 | 169.6 | 176.2 | 40.6 | -35.6 | 0 | 0 | 0 | 112.9 | ||||
| 326 | P | 47.6 | Very low | 36.3 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | -159.3 | 160.9 | 95.6 | 41 | -21.2 | 0 | 0 | 0 | 118.9 | |||||
| 327 | M | 34 | Very low | 36.5 | Very low | 179 Ų | 179 | 142.3 Ų | 142.3 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | trans | 41.3 | 123.4 | 135.3 | -162.1 | 174.8 | -159.4 | 0 | 0 | 122.6 | ||||
| 328 | T | 31.8 | Very low | 36.4 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | trans | -164.5 | -173 | 147 | 4.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 329 | F | 31.3 | Very low | 36.3 | Very low | 171 Ų | 171 | 139.7 Ų | 139.7 | 75% | 0.75 | 79% | 0.792 | S | S | * | * | trans | -144.9 | 158.8 | -156.7 | 53.7 | -97.7 | 0 | 0 | 0 | 115.4 | ||||
| 330 | Y | 34.8 | Very low | 36.4 | Very low | 220 Ų | 220 | 141.1 Ų | 141.1 | 86% | 0.863 | 80% | 0.796 | S | S | * | * | trans | 65.1 | 166.4 | 167.2 | -86.4 | -90.8 | 0 | 0 | 0 | 120.4 | ||||
| 331 | Q | 33.2 | Very low | 36.7 | Very low | 179 Ų | 179 | 142 Ų | 142 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | 68.8 | 116.5 | 170.4 | -104.6 | 156.9 | -1.3 | 0 | 0 | 116.1 | ||||
| 332 | L | 36.6 | Very low | 37.2 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | cis | 102.8 | 110 | 34.1 | -166.4 | 109.1 | 0 | 0 | 0 | 111.5 | ||||
| 333 | E | 39 | Very low | 37.1 | Very low | 175 Ų | 175 | 144.5 Ų | 144.5 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | 51.4 | 143.9 | 156.6 | -68.7 | 178.7 | 123.3 | 0 | 0 | 123.2 | ||||
| 334 | D | 38.9 | Very low | 37 | Very low | 165 Ų | 165 | 146.1 Ų | 146.1 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | trans | 95.9 | 152 | 153.1 | -152.1 | 27.2 | 0 | 0 | 0 | 120.8 | ||||
| 335 | A | 33.2 | Very low | 37 | Very low | 94 Ų | 94 | 142.3 Ų | 142.3 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | trans | 64.8 | 140.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 336 | G | 27.2 | Very low | 36.5 | Very low | 69 Ų | 69 | 143.9 Ų | 143.9 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | cis | -178.4 | -166.3 | -1.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 337 | D | 35.4 | Very low | 36 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | trans | 56.9 | 83.7 | 166.2 | -66.4 | -3.9 | 0 | 0 | 0 | 120 | ||||
| 338 | A | 32.5 | Very low | 35.9 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | -81.4 | 115.2 | 151.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 339 | V | 35.2 | Very low | 35.9 | Very low | 117 Ų | 117 | 138.3 Ų | 138.3 | 71% | 0.709 | 81% | 0.806 | S | S | * | * | trans | -98.3 | 102.4 | -178.8 | -179.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 340 | F | 38 | Very low | 37.1 | Very low | 208 Ų | 208 | 136.1 Ų | 136.1 | 91% | 0.912 | 81% | 0.809 | S | S | * | * | trans | -156.4 | 121.4 | 165 | -93.8 | -65.7 | 0 | 0 | 0 | 113.7 | ||||
| 341 | P | 42.2 | Very low | 38.2 | Very low | 110 Ų | 110 | 130.8 Ų | 130.8 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | trans | -130.8 | 175.9 | 158.9 | 39.6 | -27 | 0 | 0 | 0 | 112.4 | ||||
| 342 | P | 47 | Very low | 38.3 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 69% | 0.688 | 80% | 0.804 | S | S | * | * | cis | -137 | 167.4 | -39.4 | 37.6 | -23 | 0 | 0 | 0 | 113.4 | ||||
| 343 | L | 32.7 | Very low | 37.9 | Very low | 179 Ų | 179 | 127.6 Ų | 127.6 | 94% | 0.937 | 81% | 0.807 | S | S | * | * | trans | -138.6 | 146.9 | 145.7 | -76.5 | -178.9 | 0 | 0 | 0 | 109.5 | ||||
| 344 | Q | 32.7 | Very low | 37.2 | Very low | 189 Ų | 189 | 122.8 Ų | 122.8 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -86 | 149.9 | -178.1 | -62.3 | 160.1 | -2.9 | 0 | 0 | 109 | ||||
| 345 | G | 34 | Very low | 37.7 | Very low | 73 Ų | 73 | 120.6 Ų | 120.6 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | cis | 104.5 | 152.2 | 40.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 346 | P | 49 | Very low | 37.6 | Very low | 135 Ų | 135 | 121.4 Ų | 121.4 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | cis | -126 | -160.9 | 5 | 43.2 | -27 | 0 | 0 | 0 | 113.1 | ||||
| 347 | A | 36.2 | Very low | 39 | Very low | 89 Ų | 89 | 123.5 Ų | 123.5 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | -170.4 | -173.6 | -53.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 348 | V | 32.6 | Very low | 39.7 | Very low | 155 Ų | 155 | 122 Ų | 122 | 94% | 0.939 | 80% | 0.799 | S | S | * | * | trans | 103.3 | 142.1 | 176.6 | -176.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 349 | G | 32.7 | Very low | 39.6 | Very low | 65 Ų | 65 | 122.7 Ų | 122.7 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | trans | -145.2 | -117 | -164.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 350 | P | 57 | Low | 39.2 | Very low | 126 Ų | 126 | 121 Ų | 121 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | -110.8 | -157.6 | -129.6 | 44.4 | -34.9 | 0 | 0 | 0 | 113.6 | |||||
| 351 | P | 56 | Low | 38.7 | Very low | 107 Ų | 107 | 116.6 Ų | 116.6 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | cis | -148.5 | -162.2 | 7.8 | 30.8 | -1.6 | 0 | 0 | 0 | 118.5 | ||||
| 352 | I | 36.4 | Very low | 38.1 | Very low | 174 Ų | 174 | 116 Ų | 116 | 89% | 0.892 | 80% | 0.798 | S | S | * | * | trans | 92.5 | 133.7 | 153.9 | -52.6 | 174.1 | 0 | 0 | 0 | 120.4 | ||||
| 353 | G | 28.8 | Very low | 37.1 | Very low | 79 Ų | 79 | 120.1 Ų | 120.1 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | trans | 152.2 | 132.6 | 146.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 354 | G | 23.8 | Very low | 36.9 | Very low | 74 Ų | 74 | 122.3 Ų | 122.3 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | trans | -171.3 | -173.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 355 | P | 49.7 | Very low | 36.6 | Very low | 120 Ų | 120 | 119.2 Ų | 119.2 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | cis | -137.4 | -177.5 | -5.8 | 43.4 | -25.8 | 0 | 0 | 0 | 116.2 | ||||
| 356 | S | 29.7 | Very low | 36.6 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | 73.3 | -172.8 | 150.6 | 77.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 357 | P | 57.5 | Low | 35.7 | Very low | 113 Ų | 113 | 125.8 Ų | 125.8 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | -122.7 | -156.9 | -116.2 | 39 | -15.7 | 0 | 0 | 0 | 112.9 | |||||
| 358 | P | 49.7 | Very low | 35.3 | Very low | 124 Ų | 124 | 127.6 Ų | 127.6 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | cis | -141.8 | -153.7 | 5.5 | 46 | -24 | 0 | 0 | 0 | 116.6 | ||||
| 359 | S | 30.8 | Very low | 35.2 | Very low | 124 Ų | 124 | 124.3 Ų | 124.3 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | trans | -65.4 | 153.7 | -177.8 | -43.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 360 | G | 27.1 | Very low | 35.1 | Very low | 80 Ų | 80 | 128.4 Ų | 128.4 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -177.9 | 106.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 361 | S | 28.1 | Very low | 33.8 | Very low | 117 Ų | 117 | 126 Ų | 126 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -5.9 | 122.5 | 150.7 | -160.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 362 | S | 29 | Very low | 32.6 | Very low | 98 Ų | 98 | 132.3 Ų | 132.3 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | 79.9 | 155.2 | 124.5 | -163.5 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 363 | Y | 26.3 | Very low | 33.1 | Very low | 192 Ų | 192 | 128.7 Ų | 128.7 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | 71.9 | 134.4 | 152.4 | 80.7 | -97.6 | 0 | 0 | 0 | 125.1 | ||||
| 364 | R | 28.4 | Very low | 33.9 | Very low | 224 Ų | 224 | 130.1 Ų | 130.1 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | trans | 66.4 | 125.5 | 157.3 | -63.7 | 174.1 | -177.2 | -172.3 | -0.2 | 118 | ||||
| 365 | V | 26.8 | Very low | 34.1 | Very low | 125 Ų | 125 | 133 Ų | 133 | 76% | 0.758 | 78% | 0.777 | S | S | * | * | cis | 81 | 116.8 | 47.5 | 172.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 366 | Q | 33 | Very low | 33.1 | Very low | 138 Ų | 138 | 132 Ų | 132 | 65% | 0.645 | 77% | 0.773 | S | S | * | * | trans | -161 | 128.9 | 146.3 | -148.5 | 78.2 | 161.5 | 0 | 0 | 113.5 | ||||
| 367 | R | 29.6 | Very low | 34.2 | Very low | 207 Ų | 207 | 132.1 Ų | 132.1 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | trans | 26 | 146.1 | 149.8 | -60 | 174.5 | -122.4 | -121.4 | 4.6 | 120.4 | ||||
| 368 | T | 29.2 | Very low | 33.7 | Very low | 127 Ų | 127 | 132.2 Ų | 132.2 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | cis | -128.7 | 146.8 | 26.2 | 48.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 369 | A | 29.8 | Very low | 32.7 | Very low | 86 Ų | 86 | 130.2 Ų | 130.2 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | 53.6 | 129.8 | 72.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 370 | V | 30.5 | Very low | 32.6 | Very low | 152 Ų | 152 | 129.2 Ų | 129.2 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | cis | -141.4 | 150.7 | 22.8 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 371 | G | 30.4 | Very low | 33.1 | Very low | 76 Ų | 76 | 132.1 Ų | 132.1 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | trans | 148.1 | 99.3 | 164 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 372 | R | 29.4 | Very low | 34 | Very low | 239 Ų | 239 | 132.2 Ų | 132.2 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | trans | -171 | 169.4 | 171.5 | -133.7 | -158.6 | 166.6 | -142.9 | -1.5 | 107.4 | ||||
| 373 | P | 47.5 | Very low | 34.1 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 63% | 0.63 | 78% | 0.78 | S | S | * | * | cis | -118.6 | -143.3 | -15.5 | 37.7 | -16.1 | 0 | 0 | 0 | 108.5 | ||||
| 374 | P | 44.8 | Very low | 34 | Very low | 109 Ų | 109 | 128.9 Ų | 128.9 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | cis | -130.2 | -171.4 | -15 | 46.8 | -29.9 | 0 | 0 | 0 | 112.3 | ||||
| 375 | T | 28.8 | Very low | 33.9 | Very low | 134 Ų | 134 | 123.4 Ų | 123.4 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | cis | -151 | 169.2 | -7.7 | -9.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 376 | S | 28.1 | Very low | 34.2 | Very low | 100 Ų | 100 | 122.1 Ų | 122.1 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | -143.4 | -170.2 | 164.3 | 57.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 377 | P | 53 | Low | 34.2 | Very low | 112 Ų | 112 | 123.6 Ų | 123.6 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | -105.7 | -124.3 | -68 | 33.2 | -14 | 0 | 0 | 0 | 107.8 | |||||
| 378 | P | 48.5 | Very low | 34.4 | Very low | 115 Ų | 115 | 120.1 Ų | 120.1 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | cis | -132.3 | 163.5 | -36.8 | 35.6 | -17.9 | 0 | 0 | 0 | 116.6 | ||||
| 379 | G | 27.3 | Very low | 34.9 | Very low | 83 Ų | 83 | 120.6 Ų | 120.6 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | 71.5 | 125.7 | 124.7 | 0 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 380 | A | 29.8 | Very low | 35.3 | Very low | 102 Ų | 102 | 124.3 Ų | 124.3 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | -154.8 | 168.7 | 151 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 381 | T | 36 | Very low | 35.6 | Very low | 141 Ų | 141 | 121.1 Ų | 121.1 | 87% | 0.865 | 77% | 0.769 | S | S | * | * | trans | -117.9 | -149.6 | -164.8 | 49.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 382 | P | 48.8 | Very low | 35.8 | Very low | 120 Ų | 120 | 124.5 Ų | 124.5 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | -126.8 | 172.7 | -107.8 | 41 | -23.4 | 0 | 0 | 0 | 116.4 | |||||
| 383 | A | 29.9 | Very low | 35.9 | Very low | 101 Ų | 101 | 119.4 Ų | 119.4 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | -165.1 | 170 | 159.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 384 | C | 24 | Very low | 35.2 | Very low | 119 Ų | 119 | 119.8 Ų | 119.8 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -136 | 170.6 | -178.4 | -61.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 385 | S | 27.3 | Very low | 34.8 | Very low | 109 Ų | 109 | 120.7 Ų | 120.7 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | 75.2 | 127.6 | 163.3 | -50.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 386 | S | 33.3 | Very low | 35 | Very low | 98 Ų | 98 | 120 Ų | 120 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | 79.3 | 157.4 | 93.5 | 90.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 387 | E | 31.3 | Very low | 35.4 | Very low | 169 Ų | 169 | 124 Ų | 124 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | cis | -149.4 | -160.3 | 10.8 | -146.8 | 139.9 | 101 | 0 | 0 | 111.1 | ||||
| 388 | D | 34.8 | Very low | 34.6 | Very low | 134 Ų | 134 | 125 Ų | 125 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | trans | -81.4 | 177.5 | -163.1 | -64.9 | -103.8 | 0 | 0 | 0 | 119.5 | ||||
| 389 | D | 40 | Very low | 33.9 | Very low | 137 Ų | 137 | 127.4 Ų | 127.4 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | trans | 71.7 | 158 | 151.9 | -75.8 | -32.1 | 0 | 0 | 0 | 121.6 | ||||
| 390 | Q | 37.5 | Very low | 34.3 | Very low | 163 Ų | 163 | 127.5 Ų | 127.5 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | cis | -171.6 | 141.5 | -25.9 | -179.2 | 164.2 | 112.9 | 0 | 0 | 112 | ||||
| 391 | A | 36 | Very low | 34.5 | Very low | 85 Ų | 85 | 130.5 Ų | 130.5 | 70% | 0.702 | 77% | 0.766 | S | S | * | * | trans | 59.9 | 169.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 392 | D | 35.2 | Very low | 34 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | cis | -163.6 | 173.6 | 17.6 | -146.2 | -17.6 | 0 | 0 | 0 | 114.5 | ||||
| 393 | V | 31.8 | Very low | 33.4 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | trans | 73.3 | 160 | 152.9 | 165.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 394 | S | 33.4 | Very low | 33.7 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | -141.2 | 159.5 | -157.3 | 59.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 395 | T | 35.8 | Very low | 34.2 | Very low | 128 Ų | 128 | 140 Ų | 140 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -150 | 128.5 | 158 | 29.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 396 | V | 32.4 | Very low | 34.5 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | 64 | 107.1 | 93.6 | 118.8 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 397 | E | 37.7 | Very low | 34.5 | Very low | 186 Ų | 186 | 147.1 Ų | 147.1 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | 66.8 | 117.5 | 64.7 | -71.7 | -162.6 | 127.1 | 0 | 0 | 115.8 | |||||
| 398 | D | 35 | Very low | 34.4 | Very low | 132 Ų | 132 | 148.4 Ų | 148.4 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | -168.9 | 153.4 | 133.8 | -153.8 | 10.7 | 0 | 0 | 0 | 114.4 | ||||
| 399 | Q | 34.1 | Very low | 34.1 | Very low | 166 Ų | 166 | 145 Ų | 145 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | 18.3 | 156.9 | 157.4 | -77.4 | 160.2 | 65.3 | 0 | 0 | 124.1 | ||||
| 400 | A | 36.9 | Very low | 33.5 | Very low | 85 Ų | 85 | 143.5 Ų | 143.5 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | cis | -174.9 | -164.3 | -17.1 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 401 | E | 32.7 | Very low | 33.2 | Very low | 164 Ų | 164 | 144.6 Ų | 144.6 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | cis | -161.3 | -179.7 | 1 | -150.1 | -171.8 | -146.3 | 0 | 0 | 110 | ||||
| 402 | Y | 27 | Very low | 32.9 | Very low | 210 Ų | 210 | 146.3 Ų | 146.3 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | 68.9 | 132.6 | 161.3 | -108.1 | -116.4 | 0 | 0 | 0 | 119.5 | ||||
| 403 | A | 35.7 | Very low | 32.8 | Very low | 80 Ų | 80 | 146.7 Ų | 146.7 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | cis | -159.9 | 167.4 | -10.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 404 | E | 34.7 | Very low | 32.6 | Very low | 197 Ų | 197 | 145.1 Ų | 145.1 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | trans | -95.3 | 153.9 | 174.2 | -56.1 | 178.4 | 107.9 | 0 | 0 | 112.8 | ||||
| 405 | E | 34.4 | Very low | 32.3 | Very low | 194 Ų | 194 | 151.1 Ų | 151.1 | 91% | 0.907 | 79% | 0.789 | S | S | * | * | -162.4 | 163.2 | 123.8 | -166.2 | 155.9 | -158.6 | 0 | 0 | 111.5 | |||||
| 406 | Y | 33.8 | Very low | 31.9 | Very low | 207 Ų | 207 | 151.9 Ų | 151.9 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | -65.6 | 155.4 | -175.9 | -97.9 | -126.7 | 0 | 0 | 0 | 116.6 | ||||
| 407 | V | 35 | Very low | 31.7 | Very low | 150 Ų | 150 | 153.5 Ų | 153.5 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | -159.5 | 156.8 | 121.2 | 147.7 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 408 | F | 28.6 | Very low | 32 | Very low | 196 Ų | 196 | 150.4 Ų | 150.4 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -127 | 139.5 | -165.8 | -176.6 | -82 | 0 | 0 | 0 | 113 | ||||
| 409 | G | 27.5 | Very low | 31.7 | Very low | 61 Ų | 61 | 147.7 Ų | 147.7 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | trans | 120.3 | 141.6 | 151.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 410 | A | 28.7 | Very low | 31.7 | Very low | 107 Ų | 107 | 146.1 Ų | 146.1 | 88% | 0.884 | 79% | 0.786 | S | S | * | * | trans | 65.8 | 154.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 411 | Q | 31.5 | Very low | 31.3 | Very low | 185 Ų | 185 | 152.5 Ų | 152.5 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | cis | -140.4 | 146.3 | 11.2 | -175.6 | 174 | -9.1 | 0 | 0 | 111.5 | ||||
| 412 | D | 29.8 | Very low | 31.2 | Very low | 122 Ų | 122 | 150.5 Ų | 150.5 | 65% | 0.652 | 79% | 0.793 | S | S | * | * | trans | -137.1 | 156.5 | 175.1 | -171 | 25.6 | 0 | 0 | 0 | 110.8 | ||||
| 413 | Q | 32.4 | Very low | 31.2 | Very low | 156 Ų | 156 | 144.5 Ų | 144.5 | 73% | 0.729 | 79% | 0.787 | S | S | * | * | trans | 50 | 124.5 | 167 | -73 | 168.7 | 67.8 | 0 | 0 | 121.6 | ||||
| 414 | S | 26.9 | Very low | 30.9 | Very low | 99 Ų | 99 | 148.1 Ų | 148.1 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | trans | -164.3 | 147.4 | 131.4 | 61.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 415 | Y | 28.6 | Very low | 30.9 | Very low | 229 Ų | 229 | 147.1 Ų | 147.1 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | cis | -120.7 | 173.8 | 12.2 | -93 | -101.5 | 0 | 0 | 0 | 113.4 | ||||
| 416 | Q | 26.5 | Very low | 31.3 | Very low | 145 Ų | 145 | 143.6 Ų | 143.6 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | trans | -113.5 | 152.2 | -169.2 | -125.3 | -162.3 | 45 | 0 | 0 | 113.7 | ||||
| 417 | M | 27.9 | Very low | 31.2 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | trans | 45.1 | 170.6 | 133.5 | -95.5 | 172.4 | 45 | 0 | 0 | 121.2 | ||||
| 418 | P | 44.1 | Very low | 31 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | cis | -131.5 | 172.2 | 3.8 | 40.5 | -23.8 | 0 | 0 | 0 | 116.6 | ||||
| 419 | G | 29.1 | Very low | 31 | Very low | 76 Ų | 76 | 132.5 Ų | 132.5 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | trans | 166.2 | 107.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 420 | V | 34.6 | Very low | 31.2 | Very low | 132 Ų | 132 | 137.3 Ų | 137.3 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | trans | -112 | 130.8 | 174.5 | 174.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 421 | Y | 27.3 | Very low | 31.2 | Very low | 219 Ų | 219 | 137.9 Ų | 137.9 | 86% | 0.859 | 77% | 0.767 | S | S | * | * | -176.8 | 166.5 | 127.4 | -112.2 | -79.2 | 0 | 0 | 0 | 111.7 | |||||
| 422 | T | 31.1 | Very low | 31.1 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | -102.3 | 154 | -175.4 | 50 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 423 | A | 27.8 | Very low | 31.1 | Very low | 84 Ų | 84 | 137.7 Ų | 137.7 | 69% | 0.694 | 76% | 0.762 | S | S | * | * | trans | 88.6 | 158.2 | 147.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 424 | N | 28.9 | Very low | 30.8 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | trans | 86.2 | 113.7 | 164.8 | -54.9 | -12.8 | 0 | 0 | 0 | 119 | ||||
| 425 | E | 34.5 | Very low | 31 | Very low | 176 Ų | 176 | 144.8 Ų | 144.8 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | -61.4 | 150.5 | 144.6 | -144.3 | -169.5 | 117 | 0 | 0 | 109.2 | ||||
| 426 | P | 42.4 | Very low | 31 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | -145.5 | -179.1 | 92.3 | 39.1 | -23 | 0 | 0 | 0 | 114.3 | |||||
| 427 | A | 31.6 | Very low | 32 | Very low | 86 Ų | 86 | 135.7 Ų | 135.7 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | -89.7 | -177.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 428 | A | 31.2 | Very low | 32 | Very low | 95 Ų | 95 | 134.6 Ų | 134.6 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | 93.4 | 95.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 429 | T | 29.5 | Very low | 31.1 | Very low | 139 Ų | 139 | 136 Ų | 136 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | -166.7 | 131.4 | 129.9 | 33.4 | 0 | 0 | 0 | 0 | 105.4 | |||||
| 430 | Q | 30 | Very low | 31 | Very low | 162 Ų | 162 | 137.2 Ų | 137.2 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | cis | 80.8 | 128.4 | 36.5 | -148.1 | -168 | -49.6 | 0 | 0 | 114 | ||||
| 431 | D | 29 | Very low | 31.6 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | trans | 72.3 | 139 | 169.1 | -62 | -46.8 | 0 | 0 | 0 | 122.3 | ||||
| 432 | E | 30.3 | Very low | 31.9 | Very low | 164 Ų | 164 | 131 Ų | 131 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | trans | 29 | 156.9 | 140.4 | -62 | -171.4 | 107.2 | 0 | 0 | 122.9 | ||||
| 433 | Q | 28.6 | Very low | 31.8 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | cis | -170.5 | 155.5 | -25.8 | 170.8 | 158.5 | -57.3 | 0 | 0 | 107 | ||||
| 434 | E | 26.7 | Very low | 31.9 | Very low | 167 Ų | 167 | 135.9 Ų | 135.9 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | trans | 51 | 122.2 | 163.5 | -82.4 | 176.9 | 79.8 | 0 | 0 | 120.6 | ||||
| 435 | R | 30.5 | Very low | 31.9 | Very low | 238 Ų | 238 | 135.6 Ų | 135.6 | 90% | 0.898 | 76% | 0.757 | S | S | * | * | -177.6 | 115.9 | 106.7 | 176.9 | 166.8 | -72.2 | -142.7 | -2.4 | 112.1 | |||||
| 436 | G | 29.2 | Very low | 31.6 | Very low | 63 Ų | 63 | 135.2 Ų | 135.2 | 65% | 0.649 | 76% | 0.759 | S | S | * | * | trans | -96.1 | -144.5 | 161 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 437 | P | 47.8 | Very low | 30.7 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | cis | -138.7 | 178.9 | -12.5 | 41.9 | -25.8 | 0 | 0 | 0 | 113.8 | ||||
| 438 | T | 27.2 | Very low | 30.3 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | trans | 179.2 | 149.1 | 144.7 | 20.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 439 | N | 25.7 | Very low | 29.9 | Very low | 150 Ų | 150 | 140.9 Ų | 140.9 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | cis | -141.9 | 168.8 | 1.8 | -128.6 | -34.2 | 0 | 0 | 0 | 111.2 | ||||
| 440 | S | 27.2 | Very low | 29.7 | Very low | 102 Ų | 102 | 143.5 Ų | 143.5 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | -98.8 | -159.4 | -173.8 | 73.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 441 | P | 47.5 | Very low | 29.6 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 74% | 0.74 | 75% | 0.752 | S | S | * | * | cis | -122 | -175.4 | -5.1 | 43.9 | -29.9 | 0 | 0 | 0 | 112.5 | ||||
| 442 | S | 33.1 | Very low | 29.7 | Very low | 105 Ų | 105 | 140.1 Ų | 140.1 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | cis | -163.6 | -151.3 | -23.3 | 50.2 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 443 | R | 29.4 | Very low | 29.7 | Very low | 226 Ų | 226 | 141.2 Ų | 141.2 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | cis | -169.3 | 163.1 | -0.7 | -126.8 | -157 | 167.9 | -166.5 | -3.8 | 104.5 | ||||
| 444 | S | 29.8 | Very low | 29.9 | Very low | 85 Ų | 85 | 140.9 Ų | 140.9 | 59% | 0.594 | 76% | 0.76 | S | S | * | * | cis | -166.5 | 163 | -17.3 | 32.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 445 | D | 28.2 | Very low | 30.1 | Very low | 149 Ų | 149 | 139.8 Ų | 139.8 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | -72.8 | 164.4 | -172.8 | -46.3 | -95.6 | 0 | 0 | 0 | 116.4 | ||||
| 446 | I | 28.5 | Very low | 30.1 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 86% | 0.862 | 76% | 0.762 | S | S | * | * | -178 | 143.1 | 114 | -89.9 | 156.5 | 0 | 0 | 0 | 113.2 | |||||
| 447 | T | 24 | Very low | 30.2 | Very low | 107 Ų | 107 | 140.5 Ų | 140.5 | 66% | 0.656 | 77% | 0.769 | S | S | * | * | trans | -63.9 | 144.6 | -177.6 | -29.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 448 | Y | 23.9 | Very low | 29.3 | Very low | 205 Ų | 205 | 143 Ų | 143 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | 168.8 | 153.2 | 108.2 | -110.6 | -77.4 | 0 | 0 | 0 | 118.5 | |||||
| 449 | S | 22.9 | Very low | 29.7 | Very low | 108 Ų | 108 | 142.5 Ų | 142.5 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | 67.5 | 124.2 | 146.2 | 58.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 450 | Y | 24.3 | Very low | 29.9 | Very low | 193 Ų | 193 | 141.5 Ų | 141.5 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | trans | -93.4 | 145.3 | 163.5 | 161.4 | -90.3 | 0 | 0 | 0 | 110.6 | P452 | Y450-P452 HydrophobicContact CE1-CB 4.11Å; Y450-P452 HydrophobicContact CE1-CG 3.83Å | ||
| 451 | T | 27 | Very low | 30 | Very low | 127 Ų | 127 | 144.3 Ų | 144.3 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | -137 | 135.5 | 159.7 | 53 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 452 | P | 31.7 | Very low | 29 | Very low | 84 Ų | 84 | 144.4 Ų | 144.4 | 55% | 0.545 | 78% | 0.78 | S | S | . | * | trans | -93.4 | 141.7 | 171.9 | 33.5 | -27.8 | 0 | 0 | 0 | 111.2 | Y450 | Y450-P452 HydrophobicContact CE1-CB 4.11Å; Y450-P452 HydrophobicContact CE1-CG 3.83Å | ||
| 453 | Q | 30.2 | Very low | 28.7 | Very low | 187 Ų | 187 | 144.9 Ų | 144.9 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -132.6 | 138.7 | 163.6 | -82.6 | -67.9 | 2.4 | 0 | 0 | 110 | ||||
| 454 | V | 33.3 | Very low | 28.8 | Very low | 131 Ų | 131 | 139.9 Ų | 139.9 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -106 | 118.4 | -165.3 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 455 | V | 30.1 | Very low | 29.4 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -138.3 | 151.7 | 163.1 | -167.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 456 | K | 30.8 | Very low | 29.4 | Very low | 193 Ų | 193 | 140.2 Ų | 140.2 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -85.3 | 156.5 | -166.1 | -61.6 | 159.1 | -177.5 | 172.1 | 0 | 113.1 | ||||
| 457 | P | 32.4 | Very low | 29.3 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | trans | -84.5 | 141 | 176 | 34 | -34.4 | 0 | 0 | 0 | 113.2 | ||||
| 458 | L | 29.1 | Very low | 29.8 | Very low | 173 Ų | 173 | 138.9 Ų | 138.9 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | -146.2 | 156.9 | 160.8 | -85.5 | -177.6 | 0 | 0 | 0 | 110.4 | ||||
| 459 | P | 35.7 | Very low | 30 | Very low | 118 Ų | 118 | 135 Ų | 135 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | trans | -91.3 | 169.1 | -160.8 | 35.9 | -37.5 | 0 | 0 | 0 | 116 | ||||
| 460 | V | 28 | Very low | 30.4 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -81.6 | 136.3 | 178.3 | 176.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 461 | I | 30.7 | Very low | 30.9 | Very low | 161 Ų | 161 | 131.3 Ų | 131.3 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | trans | -135.7 | 141.3 | 156.3 | -61.7 | -176.9 | 0 | 0 | 0 | 108.4 | ||||
| 462 | C | 26.3 | Very low | 32.3 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | trans | -93.1 | 150 | 178.2 | -63.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 463 | S | 27.5 | Very low | 32.9 | Very low | 116 Ų | 116 | 132 Ų | 132 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | trans | -83.6 | 148.7 | -173 | -42.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 464 | S | 30.1 | Very low | 32.9 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | -159.3 | 139.1 | 144.7 | -77.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 465 | P | 41.9 | Very low | 33.7 | Very low | 132 Ų | 132 | 128 Ų | 128 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | trans | -98.1 | 171.9 | -170.2 | 38.7 | -36.7 | 0 | 0 | 0 | 115.3 | ||||
| 466 | S | 29.5 | Very low | 33.6 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | -98.2 | 171.1 | -170 | -40.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 467 | S | 27 | Very low | 33.7 | Very low | 128 Ų | 128 | 129 Ų | 129 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | -124.7 | 154 | 154.7 | -70.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 468 | S | 33.4 | Very low | 33.7 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -142.1 | 151.9 | -155.7 | -49.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 469 | S | 27.3 | Very low | 34.4 | Very low | 124 Ų | 124 | 126.9 Ų | 126.9 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | trans | -151.8 | -174.2 | 166.3 | 66.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 470 | S | 32.3 | Very low | 34.1 | Very low | 110 Ų | 110 | 125.9 Ų | 125.9 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -161.1 | 151.9 | -163.9 | 56.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 471 | S | 34.2 | Very low | 34.2 | Very low | 114 Ų | 114 | 124 Ų | 124 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | cis | -161.2 | -56.4 | -14.2 | -93.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 472 | P | 55.9 | Low | 34.2 | Very low | 116 Ų | 116 | 122.7 Ų | 122.7 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | -130.6 | -170.3 | -158.7 | 43.3 | -24.9 | 0 | 0 | 0 | 113.7 | ||||
| 473 | P | 45.7 | Very low | 34.4 | Very low | 109 Ų | 109 | 126.1 Ų | 126.1 | 71% | 0.708 | 81% | 0.811 | S | S | * | * | cis | -133.7 | 173.2 | -3.4 | 44 | -28.2 | 0 | 0 | 0 | 117 | ||||
| 474 | S | 30.6 | Very low | 34.6 | Very low | 110 Ų | 110 | 127.5 Ų | 127.5 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | 21.6 | 162.1 | 134.2 | -55.9 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 475 | P | 50.1 | Low | 35.5 | Very low | 123 Ų | 123 | 127 Ų | 127 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | cis | -134.1 | 170.1 | -13 | 38.2 | -21.8 | 0 | 0 | 0 | 115.7 | ||||
| 476 | S | 27 | Very low | 35.6 | Very low | 127 Ų | 127 | 126.5 Ų | 126.5 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | -171.2 | 176.9 | 118.6 | -159.4 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 477 | R | 32.2 | Very low | 35.5 | Very low | 234 Ų | 234 | 125.5 Ų | 125.5 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -141.3 | 145.6 | -154.3 | -166.6 | -170.2 | -173.4 | -178.7 | 3.1 | 113.9 | ||||
| 478 | V | 33.6 | Very low | 35.6 | Very low | 124 Ų | 124 | 123.5 Ų | 123.5 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -73.2 | 149.9 | 171.4 | -151.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 479 | P | 44.4 | Very low | 35.5 | Very low | 126 Ų | 126 | 127 Ų | 127 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | -137.9 | -175.9 | 123.7 | 38.6 | -26.1 | 0 | 0 | 0 | 113.3 | |||||
| 480 | A | 29.4 | Very low | 35.7 | Very low | 98 Ų | 98 | 125.6 Ų | 125.6 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -127.3 | 177.3 | -160.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 481 | A | 28.6 | Very low | 35.6 | Very low | 88 Ų | 88 | 129.5 Ų | 129.5 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | 97.3 | 125.2 | 153.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 482 | T | 30.3 | Very low | 35.6 | Very low | 134 Ų | 134 | 130.5 Ų | 130.5 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | 46.1 | 116.1 | 143.9 | 52.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 483 | H | 31.4 | Very low | 34.5 | Very low | 188 Ų | 188 | 135.3 Ų | 135.3 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | -172 | 176.5 | 99.1 | -151.8 | -102.6 | 0 | 0 | 0 | 112.4 | |||||
| 484 | L | 31.6 | Very low | 33.9 | Very low | 145 Ų | 145 | 136 Ų | 136 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | trans | -115.2 | 177.2 | -178.2 | -74.4 | 165.2 | 0 | 0 | 0 | 111.5 | ||||
| 485 | P | 49 | Very low | 34 | Very low | 108 Ų | 108 | 137 Ų | 137 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | cis | -124.5 | -158.9 | -35.5 | 39.5 | -22.5 | 0 | 0 | 0 | 110 | ||||
| 486 | P | 43.8 | Very low | 33.1 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | cis | -117.2 | -137.1 | -10.2 | 25.1 | 2.1 | 0 | 0 | 0 | 110.4 | ||||
| 487 | A | 27.3 | Very low | 33.4 | Very low | 88 Ų | 88 | 137.3 Ų | 137.3 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | cis | -161.5 | 169.8 | 4.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 488 | A | 28.4 | Very low | 33.4 | Very low | 85 Ų | 85 | 131.9 Ų | 131.9 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | trans | 45 | 121.3 | 151 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 489 | H | 31.9 | Very low | 33.5 | Very low | 192 Ų | 192 | 132.1 Ų | 132.1 | 89% | 0.889 | 78% | 0.782 | S | S | * | * | trans | 63.3 | 84.7 | 150.9 | -62.1 | -60.8 | 0 | 0 | 0 | 121.6 | ||||
| 490 | A | 31.6 | Very low | 32.8 | Very low | 96 Ų | 96 | 131.1 Ų | 131.1 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | -162.8 | 104.4 | 119.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | T492 | A490-T492 PolarHBondContact O-N 3Š| |||
| 491 | Q | 31.2 | Very low | 33.3 | Very low | 191 Ų | 191 | 131.4 Ų | 131.4 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | trans | -90.9 | 91 | 173.8 | -73.8 | -174.3 | -2.2 | 0 | 0 | 110.9 | R493 | Q491-R493 PolarHBondContact O-N 3.27Å; Q491-R493 VanDerWaalsContact O-N 3.17Å | ||
| 492 | T | 32.7 | Very low | 33.6 | Very low | 136 Ų | 136 | 131.1 Ų | 131.1 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | -70.6 | 103.8 | 160.1 | 33.7 | 0 | 0 | 0 | 0 | 108.8 | A490 | A490-T492 PolarHBondContact O-N 3Š| ||
| 493 | R | 33.9 | Very low | 33.8 | Very low | 217 Ų | 217 | 130.4 Ų | 130.4 | 82% | 0.819 | 77% | 0.774 | S | S | * | * | trans | -57.9 | 131.8 | 178.3 | -65.6 | 175.9 | 175.3 | 175.7 | -3.1 | 109.9 | Q491 V495 | Q491-R493 PolarHBondContact O-N 3.27Å; Q491-R493 VanDerWaalsContact O-N 3.17Å; R493-V495 PolarHBondContact O-N 2.94Å | ||
| 494 | P | 33.8 | Very low | 34.2 | Very low | 123 Ų | 123 | 126 Ų | 126 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | trans | -62.3 | 122.9 | 161.5 | 27.6 | -31.9 | 0 | 0 | 0 | 107.8 | S496 | P494-S496 VanDerWaalsContact C-N 3.26Å; P494-S496 PolarHBondContact O-N 2.9Å | ||
| 495 | V | 32.6 | Very low | 34.6 | Very low | 131 Ų | 131 | 129.6 Ų | 129.6 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | trans | -72.6 | 90.8 | 171.3 | 179 | 0 | 0 | 0 | 0 | 106.9 | R493 M497 | R493-V495 PolarHBondContact O-N 2.94Å; V495-M497 VanDerWaalsContact C-N 3.32Å; V495-M497 HydrophobicContact CG1-CG 4.28Å; V495-M497 PolarHBondContact O-N 3.38Å | ||
| 496 | S | 30.2 | Very low | 34.1 | Very low | 97 Ų | 97 | 132.5 Ų | 132.5 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | -63.3 | 96.7 | 170.6 | -172.5 | 0 | 0 | 0 | 0 | 108.2 | P494 T498 | P494-S496 VanDerWaalsContact C-N 3.26Å; P494-S496 PolarHBondContact O-N 2.9Å; S496-T498 VanDerWaalsContact C-N 3.26Å; S496-T498 PolarHBondContact O-N 3.21Å | ||
| 497 | M | 32.9 | Very low | 33.7 | Very low | 160 Ų | 160 | 131.6 Ų | 131.6 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | trans | -71.9 | 90.5 | 168.9 | -66 | -161.2 | 77.3 | 0 | 0 | 107.3 | V495 I499 | V495-M497 VanDerWaalsContact C-N 3.32Å; V495-M497 HydrophobicContact CG1-CG 4.28Å; V495-M497 PolarHBondContact O-N 3.38Å; M497-I499 PolarHBondContact O-N 3Å | ||
| 498 | T | 32.1 | Very low | 34.5 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 73% | 0.73 | 75% | 0.75 | S | S | * | * | trans | -67.9 | 78.6 | 170.7 | 50.2 | 0 | 0 | 0 | 0 | 109.2 | S496 S500 | S496-T498 VanDerWaalsContact C-N 3.26Å; S496-T498 PolarHBondContact O-N 3.21Å; T498-S500 PolarHBondContact O-N 3.01Å; T498-S500 VanDerWaalsContact O-N 3.13Å | ||
| 499 | I | 35.7 | Very low | 35.3 | Very low | 130 Ų | 130 | 136.1 Ų | 136.1 | 67% | 0.667 | 76% | 0.764 | S | S | * | * | trans | -59.9 | 110.7 | 158.6 | -58.6 | 174.4 | 0 | 0 | 0 | 105.2 | M497 A501 | M497-I499 PolarHBondContact O-N 3Å; I499-A501 PolarHBondContact O-N 3.31Å; I499-A501 VanDerWaalsContact O-N 3.08Å | ||
| 500 | S | 30.6 | Very low | 36 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | -56.1 | 117.7 | 178.3 | -66.4 | 0 | 0 | 0 | 0 | 109.5 | T498 A502 | T498-S500 PolarHBondContact O-N 3.01Å; T498-S500 VanDerWaalsContact O-N 3.13Å; S500-A502 PolarHBondContact O-N 2.78Å | ||
| 501 | A | 40.4 | Very low | 36.8 | Very low | 105 Ų | 105 | 129.6 Ų | 129.6 | 87% | 0.868 | 74% | 0.743 | S | S | * | * | trans | -74.1 | 59.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I499 | I499-A501 PolarHBondContact O-N 3.31Å; I499-A501 VanDerWaalsContact O-N 3.08Å | ||
| 502 | A | 33.5 | Very low | 37.2 | Very low | 81 Ų | 81 | 127 Ų | 127 | 67% | 0.669 | 73% | 0.731 | S | S | * | * | trans | -107.5 | 77.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | S500 P504 | S500-A502 PolarHBondContact O-N 2.78Å; A502-P504 WeakPolarHBondContact O-CD 3.38Å | ||
| 503 | T | 35.6 | Very low | 37.5 | Very low | 120 Ų | 120 | 125.9 Ų | 125.9 | 74% | 0.736 | 73% | 0.726 | S | S | * | * | trans | -102.4 | 81.6 | 172.1 | -48.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 504 | P | 39.8 | Very low | 37.7 | Very low | 96 Ų | 96 | 121.7 Ų | 121.7 | 62% | 0.623 | 72% | 0.719 | S | S | * | * | trans | -72.5 | 134.9 | 177.6 | 33 | -36.7 | 0 | 0 | 0 | 110 | A502 | A502-P504 WeakPolarHBondContact O-CD 3.38Š| ||
| 505 | W | 38.9 | Very low | 38.1 | Very low | 220 Ų | 220 | 121.9 Ų | 121.9 | 83% | 0.833 | 72% | 0.722 | S | S | * | * | trans | 70.2 | 71.5 | 168 | -40.5 | 113 | 0 | 0 | 0 | 117.7 | V507 | W505-V507 HydrophobicContact CE3-CG2 4.1Š| ||
| 506 | L | 38.6 | Very low | 38.5 | Very low | 168 Ų | 168 | 120.2 Ų | 120.2 | 88% | 0.88 | 71% | 0.712 | S | S | * | * | trans | -107.9 | 89.2 | 139.5 | -81.2 | 174.5 | 0 | 0 | 0 | 108.9 | ||||
| 507 | V | 35.9 | Very low | 39.2 | Very low | 105 Ų | 105 | 122 Ų | 122 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | trans | -87.6 | 127.1 | 171.1 | 169.7 | 0 | 0 | 0 | 0 | 108.2 | W505 | W505-V507 HydrophobicContact CE3-CG2 4.1Š| ||
| 508 | S | 43.8 | Very low | 39.7 | Very low | 57 Ų | 57 | 121.6 Ų | 121.6 | 40% | 0.399 | 72% | 0.719 | S | S | . | * | trans | -77.5 | 155.2 | 169.8 | -163.3 | 0 | 0 | 0 | 0 | 110.3 | S510 G511 | S508-S510 PolarHBondContact O-N 3.28Å; S508-G511 PolarHBondContact O-N 3.42Å | ||
| 509 | E | 45.4 | Very low | 40.4 | Very low | 210 Ų | 210 | 119.6 Ų | 119.6 | 98% | 0.981 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -13.7 | -169.6 | -153 | 173.6 | 135.9 | 0 | 0 | 114.5 | ||
| 510 | S | 47.5 | Very low | 41 | Very low | 96 Ų | 96 | 117.3 Ų | 117.3 | 67% | 0.671 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -1.8 | 174.8 | 58.6 | 0 | 0 | 0 | 0 | 115.6 | S508 E512 | S508-S510 PolarHBondContact O-N 3.28Å; S510-E512 VanDerWaalsContact C-N 3.33Å; S510-E512 PolarHBondContact O-N 3.45Å |
| 511 | G | 48.2 | Very low | 41.8 | Very low | 56 Ų | 56 | 117.5 Ų | 117.5 | 58% | 0.577 | 71% | 0.707 | S | S | * | * | trans | 79.2 | -2.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | S508 | S508-G511 PolarHBondContact O-N 3.42Š| ||
| 512 | E | 39.5 | Very low | 42.7 | Very low | 137 Ų | 137 | 118.2 Ų | 118.2 | 64% | 0.64 | 70% | 0.702 | S | S | * | * | trans | -75 | 137.4 | 178.8 | -81.8 | -69.9 | 130.7 | 0 | 0 | 113 | S510 L514 | S510-E512 VanDerWaalsContact C-N 3.33Å; S510-E512 PolarHBondContact O-N 3.45Å; E512-L514 PolarHBondContact O-N 3.01Å; E512-L514 VanDerWaalsContact O-N 3.12Å | ||
| 513 | P | 38.6 | Very low | 44.1 | Very low | 111 Ų | 111 | 120.6 Ų | 120.6 | 72% | 0.721 | 70% | 0.695 | S | S | * | * | trans | -80 | 92.9 | -179.5 | 32.3 | -34.4 | 0 | 0 | 0 | 112 | C515 | P513-C515 VanDerWaalsContact C-N 3.33Å; P513-C515 PolarHBondContact O-N 2.86Å | ||
| 514 | L | 38.6 | Very low | 45.7 | Very low | 129 Ų | 129 | 117.6 Ų | 117.6 | 68% | 0.675 | 68% | 0.679 | S | S | * | * | trans | -68.2 | 83.4 | 175.5 | -74.6 | 171.6 | 0 | 0 | 0 | 112.5 | E512 T516 | E512-L514 PolarHBondContact O-N 3.01Å; E512-L514 VanDerWaalsContact O-N 3.12Å; L514-T516 PolarHBondContact O-N 3.36Å | ||
| 515 | C | 42.7 | Very low | 47.2 | Very low | 127 Ų | 127 | 121.8 Ų | 121.8 | 86% | 0.858 | 68% | 0.684 | S | S | * | * | trans | -75.4 | 47.9 | 168.5 | -160.2 | 0 | 0 | 0 | 0 | 112 | P513 | P513-C515 VanDerWaalsContact C-N 3.33Å; P513-C515 PolarHBondContact O-N 2.86Å | ||
| 516 | T | 40.1 | Very low | 49 | Very low | 96 Ų | 96 | 113 Ų | 113 | 59% | 0.589 | 65% | 0.653 | S | S | * | * | trans | -91.8 | 110.8 | 169.6 | -56.5 | 0 | 0 | 0 | 0 | 107.5 | L514 L518 | L514-T516 PolarHBondContact O-N 3.36Å; T516-L518 HydrophobicContact CG2-CG 4.45Å; T516-L518 PolarHBondContact O-N 3.29Å | ||
| 517 | V | 44.8 | Very low | 50.6 | Low | 134 Ų | 134 | 111.2 Ų | 111.2 | 81% | 0.812 | 65% | 0.651 | S | S | * | * | trans | -69.6 | 83.1 | 170.3 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | A519 | V517-A519 VanDerWaalsContact C-N 3.35Å; V517-A519 PolarHBondContact O-N 2.93Å | ||
| 518 | L | 44.4 | Very low | 52.6 | Low | 153 Ų | 153 | 113.1 Ų | 113.1 | 80% | 0.801 | 66% | 0.658 | S | S | * | * | trans | -62.4 | 102.3 | 160.3 | -72.6 | 173.1 | 0 | 0 | 0 | 106.4 | T516 | T516-L518 HydrophobicContact CG2-CG 4.45Å; T516-L518 PolarHBondContact O-N 3.29Å | ||
| 519 | A | 45.3 | Very low | 54.1 | Low | 76 Ų | 76 | 111.5 Ų | 111.5 | 63% | 0.628 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 139.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | V517 | V517-A519 VanDerWaalsContact C-N 3.35Å; V517-A519 PolarHBondContact O-N 2.93Å |
| 520 | P | 47.9 | Very low | 55.7 | Low | 82 Ų | 82 | 106.1 Ų | 106.1 | 53% | 0.532 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -53.6 | 138.8 | 175.3 | 24 | -33.5 | 0 | 0 | 0 | 108.6 | Y523 | P520-Y523 HydrophobicContact CB-CE2 4.32Å; P520-Y523 HydrophobicContact CG-CE2 4.46Å |
| 521 | P | 48.7 | Very low | 57.5 | Low | 109 Ų | 109 | 105.4 Ų | 105.4 | 71% | 0.708 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 133.9 | -178.5 | 23.3 | -33.6 | 0 | 0 | 0 | 108.5 | Y523 | P521-Y523 PolarHBondContact O-N 3.22Š|
| 522 | P | 58.2 | Low | 59.2 | Low | 120 Ų | 120 | 106.2 Ų | 106.2 | 78% | 0.779 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 119.5 | -168.6 | 21.7 | -33 | 0 | 0 | 0 | 109.5 | ||
| 523 | Y | 62.9 | Low | 61.4 | Low | 130 Ų | 130 | 102.9 Ų | 102.9 | 51% | 0.51 | 61% | 0.606 | S | S | . | * | P | Polyproline II helix | trans | -57.6 | 151.2 | 172 | -63.4 | -81.2 | 0 | 0 | 0 | 109.2 | P520 P521 Y525 | P520-Y523 HydrophobicContact CB-CE2 4.32Å; P520-Y523 HydrophobicContact CG-CE2 4.46Å; P521-Y523 PolarHBondContact O-N 3.22Å; Y523-Y525 WeakPolarHBondContact O-CD2 3.5Å; Y523-Y525 WeakPolarHBondContact O-CE2 3.43Å; Y523-Y525 PolarHBondContact O-N 2.8Å |
| 524 | S | 70.9 | Confident | 63.6 | Low | 58 Ų | 58 | 109.4 Ų | 109.4 | 41% | 0.406 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -61.4 | 122.6 | 165.2 | 170.6 | 0 | 0 | 0 | 0 | 108 | D531 | S524-D531 VanDerWaalsContact CA-OD2 3.31Å; S524-D531 WeakPolarHBondContact CA-OD2 3.29Å; S524-D531 WeakPolarHBondContact CB-OD1 3.42Å; S524-D531 PolarHBondContact OG-OD1 2.93Å; S524-D531 PolarHBondContact OG-OD2 3.12Å |
| 525 | Y | 69.3 | Low | 66.1 | Low | 183 Ų | 183 | 107.1 Ų | 107.1 | 72% | 0.718 | 60% | 0.604 | S | S | * | * | trans | -112.3 | -17.2 | -176.6 | -76.9 | -71.3 | 0 | 0 | 0 | 112 | Y523 P527 D531 | Y523-Y525 WeakPolarHBondContact O-CD2 3.5Å; Y523-Y525 WeakPolarHBondContact O-CE2 3.43Å; Y523-Y525 PolarHBondContact O-N 2.8Å; Y525-P527 WeakPolarHBondContact O-CD 3.04Å; Y525-D531 PolarHBondContact N-OD2 3.01Å | ||
| 526 | D | 78.7 | Confident | 68 | Low | 37 Ų | 37 | 105.9 Ų | 105.9 | 20% | 0.198 | 60% | 0.596 | C | S | . | * | trans | -79.1 | 117 | 171.7 | 178.2 | 15.9 | 0 | 0 | 0 | 110.7 | N528 G529 S530 D531 | D526-N528 PolarHBondContact O-N 3.39Å; D526-N528 VanDerWaalsContact O-N 3.08Å; D526-N528 WeakPolarHBondContact OD1-CB 3.41Å; D526-N528 PolarHBondContact OD1-N 3.08Å; D526-N528 PolarHBondContact OD1-ND2 2.87Å; D526-G529 PolarHBondContact O-N 2.63Å; D526-S530 WeakPolarHBondContact OD2-CB 3.27Å; D526-S530 PolarHBondContact OD2-N 2.91Å; D526-S530 PolarHBondContact OD2-OG 2.78Å; D526-D531 PolarHBondContact N-OD2 3.24Å | ||
| 527 | P | 71.3 | Confident | 70.2 | Confident | 129 Ų | 129 | 110.7 Ų | 110.7 | 84% | 0.838 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -14 | 175.8 | 27.8 | -36.2 | 0 | 0 | 0 | 113.8 | Y525 | Y525-P527 WeakPolarHBondContact O-CD 3.04Š|
| 528 | N | 77 | Confident | 72.2 | Confident | 145 Ų | 145 | 106.8 Ų | 106.8 | 78% | 0.775 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -6.2 | 172.3 | -48.6 | -84.1 | 0 | 0 | 0 | 112.9 | D526 S530 | D526-N528 PolarHBondContact O-N 3.39Å; D526-N528 VanDerWaalsContact O-N 3.08Å; D526-N528 WeakPolarHBondContact OD1-CB 3.41Å; D526-N528 PolarHBondContact OD1-N 3.08Å; D526-N528 PolarHBondContact OD1-ND2 2.87Å; N528-S530 VanDerWaalsContact C-N 3.33Å; N528-S530 PolarHBondContact O-N 3.4Å |
| 529 | G | 75.7 | Confident | 74.3 | Confident | 23 Ų | 23 | 101.8 Ų | 101.8 | 24% | 0.237 | 56% | 0.555 | C | S | . | * | trans | 66.7 | 23.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | D526 D531 L532 | D526-G529 PolarHBondContact O-N 2.63Å; G529-D531 PolarHBondContact O-N 2.55Å; G529-L532 WeakPolarHBondContact O-CB 3.41Å; G529-L532 PolarHBondContact O-N 2.71Å; G529-L532 VanDerWaalsContact O-N 3.09Å | ||
| 530 | S | 80.1 | Confident | 76.2 | Confident | 98 Ų | 98 | 103.8 Ų | 103.8 | 69% | 0.685 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -12.3 | 179.3 | 74.1 | 0 | 0 | 0 | 0 | 113.9 | D526 N528 | D526-S530 WeakPolarHBondContact OD2-CB 3.27Å; D526-S530 PolarHBondContact OD2-N 2.91Å; D526-S530 PolarHBondContact OD2-OG 2.78Å; N528-S530 VanDerWaalsContact C-N 3.33Å; N528-S530 PolarHBondContact O-N 3.4Å |
| 531 | D | 83.8 | Confident | 78.2 | Confident | 80 Ų | 80 | 106.5 Ų | 106.5 | 43% | 0.428 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.2 | -10.2 | 170.3 | 57.6 | 8.6 | 0 | 0 | 0 | 113.7 | S524 Y525 D526 G529 | S524-D531 VanDerWaalsContact CA-OD2 3.31Å; S524-D531 WeakPolarHBondContact CA-OD2 3.29Å; S524-D531 WeakPolarHBondContact CB-OD1 3.42Å; S524-D531 PolarHBondContact OG-OD1 2.93Å; S524-D531 PolarHBondContact OG-OD2 3.12Å; Y525-D531 PolarHBondContact N-OD2 3.01Å; D526-D531 PolarHBondContact N-OD2 3.24Å; G529-D531 PolarHBondContact O-N 2.55Å |
| 532 | L | 84.1 | Confident | 80 | Confident | 74 Ų | 74 | 108.3 Ų | 108.3 | 39% | 0.387 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -82.4 | 155.6 | 174.9 | -64.3 | 175.4 | 0 | 0 | 0 | 112.2 | G529 R534 V539 | G529-L532 WeakPolarHBondContact O-CB 3.41Å; G529-L532 PolarHBondContact O-N 2.71Å; G529-L532 VanDerWaalsContact O-N 3.09Å; L532-R534 PolarHBondContact O-N 2.76Å; L532-V539 HydrophobicContact CB-CG2 4.33Å |
| 533 | P | 85.9 | Confident | 81.4 | Confident | 67 Ų | 67 | 110.3 Ų | 110.3 | 44% | 0.435 | 54% | 0.539 | S | S | . | . | trans | -55 | 127.8 | 169.5 | -25.5 | 34.7 | 0 | 0 | 0 | 112 | D535 V538 V539 | P533-D535 PolarHBondContact O-N 3.31Å; P533-D535 VanDerWaalsContact O-N 3.12Å; P533-V538 HydrophobicContact CB-CB 4.24Å; P533-V538 HydrophobicContact CB-CG1 3.96Å; P533-V538 HydrophobicContact CG-CG1 4.06Å; P533-V539 HydrophobicContact CB-CG2 4.29Å; P533-V539 WeakPolarHBondContact O-CG2 3.44Å | ||
| 534 | R | 84.6 | Confident | 82.7 | Confident | 247 Ų | 247 | 107.7 Ų | 107.7 | 93% | 0.932 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -66.6 | -11.6 | 179.9 | -64.1 | -175.5 | -178.2 | -177.7 | 0.1 | 114.7 | L532 | L532-R534 PolarHBondContact O-N 2.76Š|
| 535 | D | 90.8 | Very high | 83.5 | Confident | 81 Ų | 81 | 108 Ų | 108 | 43% | 0.433 | 53% | 0.531 | S | S | . | . | trans | -85.8 | 108.4 | 171.7 | -176.3 | -5.8 | 0 | 0 | 0 | 110.1 | P533 R537 V538 V539 | P533-D535 PolarHBondContact O-N 3.31Å; P533-D535 VanDerWaalsContact O-N 3.12Å; D535-R537 PolarHBondContact O-N 3.46Å; D535-R537 VanDerWaalsContact O-N 3.08Å; D535-R537 VanDerWaalsContact OD1-CB 3.29Å; D535-R537 WeakPolarHBondContact OD1-CB 3.41Å; D535-R537 PolarHBondContact OD1-N 3.09Å; D535-V538 HydrophobicContact CB-CB 4.27Å; D535-V538 HydrophobicContact CB-CG2 3.91Å; D535-V538 WeakPolarHBondContact O-CB 3.31Å; D535-V538 PolarHBondContact O-N 2.98Å; D535-V539 PolarHBondContact O-N 3.44Å; D535-V539 VanDerWaalsContact O-N 3.13Å | ||
| 536 | C | 84.1 | Confident | 84.4 | Confident | 101 Ų | 101 | 101.2 Ų | 101.2 | 68% | 0.682 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -53.9 | -27.7 | 176.9 | -55.5 | 0 | 0 | 0 | 0 | 113.3 | Q540 | C536-Q540 WeakPolarHBondContact O-CB 2.97Å; C536-Q540 PolarHBondContact O-N 3.17Å |
| 537 | R | 85.8 | Confident | 84.7 | Confident | 197 Ų | 197 | 101.9 Ų | 101.9 | 74% | 0.743 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70.8 | -37.3 | 176.6 | -61.9 | 178.3 | 172.3 | -172.9 | -2.1 | 112 | D535 Y541 | D535-R537 PolarHBondContact O-N 3.46Å; D535-R537 VanDerWaalsContact O-N 3.08Å; D535-R537 VanDerWaalsContact OD1-CB 3.29Å; D535-R537 WeakPolarHBondContact OD1-CB 3.41Å; D535-R537 PolarHBondContact OD1-N 3.09Å; R537-Y541 WeakPolarHBondContact O-CB 3.4Å; R537-Y541 PolarHBondContact O-N 2.96Å |
| 538 | V | 87.3 | Confident | 85.3 | Confident | 53 Ų | 53 | 102 Ų | 102 | 32% | 0.321 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.3 | -43.4 | 176 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | P533 D535 Y541 Y542 | P533-V538 HydrophobicContact CB-CB 4.24Å; P533-V538 HydrophobicContact CB-CG1 3.96Å; P533-V538 HydrophobicContact CG-CG1 4.06Å; D535-V538 HydrophobicContact CB-CB 4.27Å; D535-V538 HydrophobicContact CB-CG2 3.91Å; D535-V538 WeakPolarHBondContact O-CB 3.31Å; D535-V538 PolarHBondContact O-N 2.98Å; V538-Y541 PolarHBondContact O-N 2.93Å; V538-Y542 HydrophobicContact CG1-CD2 3.81Å; V538-Y542 HydrophobicContact CG1-CE2 3.69Å; V538-Y542 VanDerWaalsContact O-CD2 3.27Å; V538-Y542 WeakPolarHBondContact O-CD2 3.44Å; V538-Y542 PolarHBondContact O-N 3.13Å; V538-Y542 VanDerWaalsContact O-N 3.09Å |
| 539 | V | 87.4 | Confident | 85.3 | Confident | 47 Ų | 47 | 102.2 Ų | 102.2 | 29% | 0.285 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 173.5 | 179.4 | 0 | 0 | 0 | 0 | 111 | L532 P533 D535 Y541 Y542 Y543 | L532-V539 HydrophobicContact CB-CG2 4.33Å; P533-V539 HydrophobicContact CB-CG2 4.29Å; P533-V539 WeakPolarHBondContact O-CG2 3.44Å; D535-V539 PolarHBondContact O-N 3.44Å; D535-V539 VanDerWaalsContact O-N 3.13Å; V539-Y541 VanDerWaalsContact C-N 3.34Å; V539-Y541 PolarHBondContact O-N 3.08Å; V539-Y542 PolarHBondContact O-N 2.78Å; V539-Y543 VanDerWaalsContact O-CB 3.27Å; V539-Y543 WeakPolarHBondContact O-CB 3.19Å; V539-Y543 PolarHBondContact O-N 3.41Å |
| 540 | Q | 86.4 | Confident | 85.4 | Confident | 118 Ų | 118 | 107.8 Ų | 107.8 | 55% | 0.551 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.8 | -39.8 | 177.8 | -173.8 | 178.4 | 27.9 | 0 | 0 | 112.3 | C536 N544 | C536-Q540 WeakPolarHBondContact O-CB 2.97Å; C536-Q540 PolarHBondContact O-N 3.17Å; Q540-N544 VanDerWaalsContact O-CB 3.32Å; Q540-N544 WeakPolarHBondContact O-CB 3.39Å; Q540-N544 PolarHBondContact O-N 3.12Å; Q540-N544 PolarHBondContact O-ND2 3.04Å |
| 541 | Y | 89.5 | Confident | 85.1 | Confident | 139 Ų | 139 | 108.2 Ų | 108.2 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.5 | -52.9 | 175.6 | 173.5 | -97.7 | 0 | 0 | 0 | 111.7 | R537 V538 V539 N544 L545 | R537-Y541 WeakPolarHBondContact O-CB 3.4Å; R537-Y541 PolarHBondContact O-N 2.96Å; V538-Y541 PolarHBondContact O-N 2.93Å; V539-Y541 VanDerWaalsContact C-N 3.34Å; V539-Y541 PolarHBondContact O-N 3.08Å; Y541-N544 PolarHBondContact O-N 2.98Å; Y541-L545 HydrophobicContact CE1-CD2 4.33Å; Y541-L545 WeakPolarHBondContact O-CB 3.28Å; Y541-L545 PolarHBondContact O-N 3.5Å |
| 542 | Y | 86.7 | Confident | 84.5 | Confident | 147 Ų | 147 | 109.6 Ų | 109.6 | 58% | 0.576 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.6 | -33 | -179.4 | -73.9 | -64.5 | 0 | 0 | 0 | 113.1 | V538 V539 L545 G546 | V538-Y542 HydrophobicContact CG1-CD2 3.81Å; V538-Y542 HydrophobicContact CG1-CE2 3.69Å; V538-Y542 VanDerWaalsContact O-CD2 3.27Å; V538-Y542 WeakPolarHBondContact O-CD2 3.44Å; V538-Y542 PolarHBondContact O-N 3.13Å; V538-Y542 VanDerWaalsContact O-N 3.09Å; V539-Y542 PolarHBondContact O-N 2.78Å; Y542-L545 HydrophobicContact CD1-CD2 4.24Å; Y542-L545 PolarHBondContact O-N 2.85Å; Y542-G546 PolarHBondContact O-N 2.9Å |
| 543 | Y | 87.1 | Confident | 83.9 | Confident | 162 Ų | 162 | 107.8 Ų | 107.8 | 64% | 0.635 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.9 | -50.7 | 170.8 | 176.9 | -95.1 | 0 | 0 | 0 | 111.4 | V539 L545 G546 V547 | V539-Y543 VanDerWaalsContact O-CB 3.27Å; V539-Y543 WeakPolarHBondContact O-CB 3.19Å; V539-Y543 PolarHBondContact O-N 3.41Å; Y543-L545 VanDerWaalsContact C-N 3.31Å; Y543-L545 PolarHBondContact O-N 3.05Å; Y543-G546 PolarHBondContact O-N 3.33Å; Y543-V547 HydrophobicContact CD1-CG2 4.3Å; Y543-V547 HydrophobicContact CE1-CG2 3.85Å; Y543-V547 HydrophobicContact CE2-CG2 4.28Å; Y543-V547 WeakPolarHBondContact O-CG2 3.2Å; Y543-V547 PolarHBondContact O-N 2.76Å |
| 544 | N | 89.8 | Confident | 83 | Confident | 75 Ų | 75 | 106.9 Ų | 106.9 | 40% | 0.401 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.6 | -40.8 | 178 | -71.8 | -14.5 | 0 | 0 | 0 | 111.7 | Q540 Y541 V547 Q548 | Q540-N544 VanDerWaalsContact O-CB 3.32Å; Q540-N544 WeakPolarHBondContact O-CB 3.39Å; Q540-N544 PolarHBondContact O-N 3.12Å; Q540-N544 PolarHBondContact O-ND2 3.04Å; Y541-N544 PolarHBondContact O-N 2.98Å; N544-V547 PolarHBondContact O-N 3.05Å; N544-Q548 WeakPolarHBondContact O-CG 3.49Å; N544-Q548 PolarHBondContact O-N 2.87Å |
| 545 | L | 88 | Confident | 81.7 | Confident | 64 Ų | 64 | 102.8 Ų | 102.8 | 34% | 0.335 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 176.3 | -173.8 | 64.5 | 0 | 0 | 0 | 111.9 | Y541 Y542 Y543 Q548 W549 | Y541-L545 HydrophobicContact CE1-CD2 4.33Å; Y541-L545 WeakPolarHBondContact O-CB 3.28Å; Y541-L545 PolarHBondContact O-N 3.5Å; Y542-L545 HydrophobicContact CD1-CD2 4.24Å; Y542-L545 PolarHBondContact O-N 2.85Å; Y543-L545 VanDerWaalsContact C-N 3.31Å; Y543-L545 PolarHBondContact O-N 3.05Å; L545-Q548 PolarHBondContact O-N 3.28Å; L545-W549 PolarHBondContact O-N 3.05Å |
| 546 | G | 88.8 | Confident | 80.2 | Confident | 41 Ų | 41 | 104 Ų | 104 | 42% | 0.423 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.2 | -39.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y542 Y543 W549 F550 | Y542-G546 PolarHBondContact O-N 2.9Å; Y543-G546 PolarHBondContact O-N 3.33Å; G546-W549 PolarHBondContact O-N 3.42Å; G546-F550 WeakPolarHBondContact O-CB 3.34Å; G546-F550 PolarHBondContact O-N 3.02Å |
| 547 | V | 83.9 | Confident | 79 | Confident | 52 Ų | 52 | 106.7 Ų | 106.7 | 32% | 0.315 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 174.4 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | Y543 N544 F550 H551 | Y543-V547 HydrophobicContact CD1-CG2 4.3Å; Y543-V547 HydrophobicContact CE1-CG2 3.85Å; Y543-V547 HydrophobicContact CE2-CG2 4.28Å; Y543-V547 WeakPolarHBondContact O-CG2 3.2Å; Y543-V547 PolarHBondContact O-N 2.76Å; N544-V547 PolarHBondContact O-N 3.05Å; V547-F550 PolarHBondContact O-N 2.95Å; V547-H551 PolarHBondContact O-CD2 2.93Å; V547-H551 VanDerWaalsContact O-CD2 3.29Å; V547-H551 PolarHBondContact O-N 2.88Å |
| 548 | Q | 83.8 | Confident | 77.6 | Confident | 130 Ų | 130 | 103.7 Ų | 103.7 | 61% | 0.607 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.9 | -45 | 174.1 | -73.8 | 174.6 | 2.5 | 0 | 0 | 111.8 | N544 L545 H551 Q552 | N544-Q548 WeakPolarHBondContact O-CG 3.49Å; N544-Q548 PolarHBondContact O-N 2.87Å; L545-Q548 PolarHBondContact O-N 3.28Å; Q548-H551 PolarHBondContact O-N 2.9Å; Q548-Q552 WeakPolarHBondContact O-CB 3.47Å; Q548-Q552 PolarHBondContact O-N 3.19Å |
| 549 | W | 76.9 | Confident | 76.1 | Confident | 150 Ų | 150 | 104.6 Ų | 104.6 | 57% | 0.568 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.9 | -44.7 | 175.2 | -111.4 | 106.2 | 0 | 0 | 0 | 112.5 | L545 G546 H551 Q552 S553 | L545-W549 PolarHBondContact O-N 3.05Å; G546-W549 PolarHBondContact O-N 3.42Å; W549-H551 PolarHBondContact O-N 3.12Å; W549-Q552 PolarHBondContact O-N 3.13Å; W549-S553 PolarHBondContact O-N 3.15Å; W549-S553 PolarHBondContact O-OG 3.36Å |
| 550 | F | 78.6 | Confident | 74.3 | Confident | 141 Ų | 141 | 111.2 Ų | 111.2 | 62% | 0.618 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.5 | -45.5 | 177.2 | 175.8 | -99.3 | 0 | 0 | 0 | 111.9 | G546 V547 C554 | G546-F550 WeakPolarHBondContact O-CB 3.34Å; G546-F550 PolarHBondContact O-N 3.02Å; V547-F550 PolarHBondContact O-N 2.95Å; F550-C554 WeakPolarHBondContact O-CB 3.48Å; F550-C554 PolarHBondContact O-N 3.39Å |
| 551 | H | 73.6 | Confident | 72.5 | Confident | 107 Ų | 107 | 110.8 Ų | 110.8 | 50% | 0.495 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.6 | -46 | 174.4 | -84.8 | -70.2 | 0 | 0 | 0 | 111.9 | V547 Q548 W549 C554 W555 | V547-H551 PolarHBondContact O-CD2 2.93Å; V547-H551 VanDerWaalsContact O-CD2 3.29Å; V547-H551 PolarHBondContact O-N 2.88Å; Q548-H551 PolarHBondContact O-N 2.9Å; W549-H551 PolarHBondContact O-N 3.12Å; H551-C554 PolarHBondContact O-N 3.28Å; H551-W555 PolarHBondContact O-N 3.47Å |
| 552 | Q | 71.2 | Confident | 70.5 | Confident | 109 Ų | 109 | 109.4 Ų | 109.4 | 51% | 0.509 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | -179.8 | -171.4 | 169.2 | 103.3 | 0 | 0 | 112.3 | Q548 W549 W555 Q556 | Q548-Q552 WeakPolarHBondContact O-CB 3.47Å; Q548-Q552 PolarHBondContact O-N 3.19Å; W549-Q552 PolarHBondContact O-N 3.13Å; Q552-W555 PolarHBondContact O-N 3.49Å; Q552-Q556 WeakPolarHBondContact O-CG 3.47Å; Q552-Q556 PolarHBondContact O-N 3.31Å |
| 553 | S | 72.1 | Confident | 68.5 | Low | 36 Ų | 36 | 108.6 Ų | 108.6 | 25% | 0.252 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.5 | -38.4 | 175.3 | -65.3 | 0 | 0 | 0 | 0 | 112.9 | W549 Q556 Q557 | W549-S553 PolarHBondContact O-N 3.15Å; W549-S553 PolarHBondContact O-OG 3.36Å; S553-Q556 PolarHBondContact O-N 3.22Å; S553-Q557 WeakPolarHBondContact O-CG 3.4Å; S553-Q557 PolarHBondContact O-N 3.35Å |
| 554 | C | 67.5 | Low | 66.5 | Low | 48 Ų | 48 | 107.4 Ų | 107.4 | 32% | 0.324 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.9 | -35.5 | 178.1 | -171.2 | 0 | 0 | 0 | 0 | 112.2 | F550 H551 Q558 | F550-C554 WeakPolarHBondContact O-CB 3.48Å; F550-C554 PolarHBondContact O-N 3.39Å; H551-C554 PolarHBondContact O-N 3.28Å; C554-Q558 WeakPolarHBondContact O-CG 3.4Å; C554-Q558 PolarHBondContact O-N 2.75Å; C554-Q558 PolarHBondContact O-NE2 3.03Å |
| 555 | W | 56.7 | Low | 64.3 | Low | 161 Ų | 161 | 108.1 Ų | 108.1 | 61% | 0.61 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.4 | -42.2 | 170 | -79.2 | 114.7 | 0 | 0 | 0 | 112.3 | H551 Q552 Q557 Q558 A559 | H551-W555 PolarHBondContact O-N 3.47Å; Q552-W555 PolarHBondContact O-N 3.49Å; W555-Q557 PolarHBondContact O-N 3.47Å; W555-Q558 PolarHBondContact O-N 3.41Å; W555-Q558 VanDerWaalsContact O-N 3.09Å; W555-A559 PolarHBondContact O-N 3.01Å |
| 556 | Q | 58.9 | Low | 62.2 | Low | 107 Ų | 107 | 110.1 Ų | 110.1 | 50% | 0.5 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.3 | -39.6 | 177.9 | -73.3 | 175.3 | 10.5 | 0 | 0 | 112.7 | Q552 S553 Q558 A559 Y560 | Q552-Q556 WeakPolarHBondContact O-CG 3.47Å; Q552-Q556 PolarHBondContact O-N 3.31Å; S553-Q556 PolarHBondContact O-N 3.22Å; Q556-Q558 PolarHBondContact O-N 2.71Å; Q556-A559 PolarHBondContact O-N 3.17Å; Q556-Y560 PolarHBondContact O-N 2.86Å |
| 557 | Q | 59.3 | Low | 59.7 | Low | 156 Ų | 156 | 116.9 Ų | 116.9 | 73% | 0.729 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68 | -17.1 | 174.7 | -71.4 | -179.7 | 30.4 | 0 | 0 | 114.1 | S553 W555 | S553-Q557 WeakPolarHBondContact O-CG 3.4Å; S553-Q557 PolarHBondContact O-N 3.35Å; W555-Q557 PolarHBondContact O-N 3.47Å |
| 558 | Q | 57 | Low | 57.5 | Low | 135 Ų | 135 | 124.9 Ų | 124.9 | 63% | 0.631 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -92 | -22.4 | 172.3 | -72.1 | 170.1 | 68.6 | 0 | 0 | 112.4 | C554 W555 Q556 | C554-Q558 WeakPolarHBondContact O-CG 3.4Å; C554-Q558 PolarHBondContact O-N 2.75Å; C554-Q558 PolarHBondContact O-NE2 3.03Å; W555-Q558 PolarHBondContact O-N 3.41Å; W555-Q558 VanDerWaalsContact O-N 3.09Å; Q556-Q558 PolarHBondContact O-N 2.71Å |
| 559 | A | 54.9 | Low | 55.6 | Low | 71 Ų | 71 | 126.9 Ų | 126.9 | 59% | 0.587 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -81.1 | -25.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | W555 Q556 | W555-A559 PolarHBondContact O-N 3.01Å; Q556-A559 PolarHBondContact O-N 3.17Å |
| 560 | Y | 49.4 | Very low | 54 | Low | 186 Ų | 186 | 123 Ų | 123 | 73% | 0.729 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -125.3 | 114.1 | 176.3 | -69.3 | -86.3 | 0 | 0 | 0 | 110.5 | Q556 | Q556-Y560 PolarHBondContact O-N 2.86Š|
| 561 | P | 48.1 | Very low | 52 | Low | 110 Ų | 110 | 125.8 Ų | 125.8 | 71% | 0.714 | 67% | 0.669 | S | S | * | * | trans | -63.4 | 148.3 | 167 | 29 | -33.8 | 0 | 0 | 0 | 109.5 | ||||
| 562 | P | 49 | Very low | 50.5 | Low | 110 Ų | 110 | 129.1 Ų | 129.1 | 71% | 0.714 | 69% | 0.685 | S | S | * | * | trans | -59.6 | 142.5 | 173.8 | 26.6 | -34.2 | 0 | 0 | 0 | 109.6 | T564 | P562-T564 PolarHBondContact O-N 2.95Š| ||
| 563 | P | 44 | Very low | 49.7 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 84% | 0.838 | 70% | 0.695 | S | S | * | * | trans | -61.9 | 115.8 | 177 | 25.5 | -33.2 | 0 | 0 | 0 | 109.2 | S565 | P563-S565 PolarHBondContact O-N 2.76Š| ||
| 564 | T | 44.3 | Very low | 48.6 | Very low | 137 Ų | 137 | 132.7 Ų | 132.7 | 84% | 0.84 | 72% | 0.717 | S | S | * | * | trans | -61.3 | 105.7 | 175 | 49.6 | 0 | 0 | 0 | 0 | 109.1 | P562 | P562-T564 PolarHBondContact O-N 2.95Š| ||
| 565 | S | 45.3 | Very low | 47.9 | Very low | 91 Ų | 91 | 136 Ų | 136 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | trans | -58.6 | 130.8 | 170.1 | 39.5 | 0 | 0 | 0 | 0 | 108.7 | P563 H567 | P563-S565 PolarHBondContact O-N 2.76Å; S565-H567 PolarHBondContact O-N 2.99Å; S565-H567 VanDerWaalsContact O-N 3.13Å | ||
| 566 | P | 43.4 | Very low | 47.4 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | trans | -64.9 | 119.5 | 175.1 | 26 | -32.5 | 0 | 0 | 0 | 108.6 | Y568 | P566-Y568 PolarHBondContact O-N 2.67Š| ||
| 567 | H | 36.6 | Very low | 46.8 | Very low | 183 Ų | 183 | 142.6 Ų | 142.6 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | trans | -63.8 | 98.6 | 172.2 | -83.8 | -93.5 | 0 | 0 | 0 | 109.4 | S565 L569 | S565-H567 PolarHBondContact O-N 2.99Å; S565-H567 VanDerWaalsContact O-N 3.13Å; H567-L569 PolarHBondContact O-N 3.2Å | ||
| 568 | Y | 37.9 | Very low | 46.2 | Very low | 221 Ų | 221 | 141.8 Ų | 141.8 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | -69.1 | 109.7 | 163.4 | -94.7 | -86.5 | 0 | 0 | 0 | 108.8 | P566 G570 | P566-Y568 PolarHBondContact O-N 2.67Å; Y568-G570 PolarHBondContact O-N 2.9Å | ||
| 569 | L | 42.4 | Very low | 45.6 | Very low | 171 Ų | 171 | 142.2 Ų | 142.2 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | trans | -82.6 | 112.3 | 179.7 | -164.6 | 90.7 | 0 | 0 | 0 | 109.8 | H567 | H567-L569 PolarHBondContact O-N 3.2Š| ||
| 570 | G | 43.7 | Very low | 45 | Very low | 70 Ų | 70 | 146.4 Ų | 146.4 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | trans | 70.4 | 104.8 | 158.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | Y568 | Y568-G570 PolarHBondContact O-N 2.9Š| ||
| 571 | Q | 36.3 | Very low | 44.8 | Very low | 199 Ų | 199 | 143.9 Ų | 143.9 | 93% | 0.93 | 81% | 0.808 | S | S | * | * | trans | -129.2 | 138.8 | 136.2 | -87.7 | -168.1 | -14 | 0 | 0 | 109.7 | ||||
| 572 | E | 41.6 | Very low | 44.5 | Very low | 176 Ų | 176 | 146.2 Ų | 146.2 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 136.8 | 179.5 | -176.1 | 179.1 | 111.8 | 0 | 0 | 110 | ||
| 573 | P | 55.1 | Low | 44.2 | Very low | 111 Ų | 111 | 148.8 Ų | 148.8 | 72% | 0.721 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 131.6 | 173.2 | 30.3 | -32.6 | 0 | 0 | 0 | 110.2 | ||
| 574 | P | 49 | Very low | 44.3 | Very low | 110 Ų | 110 | 150.3 Ų | 150.3 | 71% | 0.714 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 143.1 | 178.8 | 28.7 | -34.9 | 0 | 0 | 0 | 111.2 | ||
| 575 | P | 52.7 | Low | 44.3 | Very low | 118 Ų | 118 | 151.4 Ų | 151.4 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 140.5 | 178.4 | 30.4 | -34.7 | 0 | 0 | 0 | 112.2 | ||
| 576 | H | 47.1 | Very low | 44.2 | Very low | 262 Ų | 262 | 156.9 Ų | 156.9 | 100% | 1.213 | 83% | 0.834 | S | S | * | * | trans | -142.4 | 0 | 167.8 | -95.8 | -54 | 0 | 0 | 0 | 109.9 |
Retrieved 576 of 576 residues in 134 ms
(Link to these results)