| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 45.8 | Very low | 41.9 | Very low | 240 Ų | 240 | 155.6 Ų | 155.6 | 100% | 1.182 | 84% | 0.84 | S | S | * | * | 0 | 163.3 | 0 | -73.9 | 179 | 172.3 | 0 | 0 | 108.6 | |||||
| 2 | Q | 47.9 | Very low | 41.6 | Very low | 202 Ų | 202 | 150.7 Ų | 150.7 | 94% | 0.944 | 83% | 0.826 | S | S | * | * | trans | 68.4 | 113.6 | -172.8 | -57.4 | 172.2 | -8.1 | 0 | 0 | 115 | ||||
| 3 | A | 35.1 | Very low | 41.4 | Very low | 83 Ų | 83 | 152.3 Ų | 152.3 | 69% | 0.686 | 83% | 0.831 | S | S | * | * | trans | -149.2 | 145.6 | 156.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | Y5 | A3-Y5 HydrophobicContact CB-CE2 4.42Š| ||
| 4 | R | 47 | Very low | 40.7 | Very low | 230 Ų | 230 | 146.1 Ų | 146.1 | 87% | 0.868 | 82% | 0.821 | S | S | * | * | trans | -90.1 | 147.8 | 179.4 | -61.1 | 172.3 | 176.6 | 155.7 | -3.9 | 110.1 | ||||
| 5 | Y | 35.5 | Very low | 40.4 | Very low | 222 Ų | 222 | 145 Ų | 145 | 87% | 0.871 | 82% | 0.818 | S | S | * | * | trans | -136.5 | 148 | 155.7 | -69.2 | -71.4 | 0 | 0 | 0 | 111.3 | A3 | A3-Y5 HydrophobicContact CB-CE2 4.42Š| ||
| 6 | S | 39.5 | Very low | 40.4 | Very low | 101 Ų | 101 | 144.1 Ų | 144.1 | 71% | 0.706 | 82% | 0.816 | S | S | * | * | trans | -136.9 | 139.8 | -174.3 | -62.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 7 | V | 36.3 | Very low | 41.1 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | 71.4 | 141.6 | 143.6 | 170.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 8 | S | 37.1 | Very low | 40.8 | Very low | 107 Ų | 107 | 145.4 Ų | 145.4 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | trans | 72.2 | 109.3 | 161.8 | -71.6 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 9 | S | 46.4 | Very low | 40.8 | Very low | 104 Ų | 104 | 144.7 Ų | 144.7 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | 35.2 | 133.4 | 123.9 | -167 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 10 | P | 45.7 | Very low | 40.5 | Very low | 128 Ų | 128 | 142.5 Ų | 142.5 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | trans | -118.5 | 124.1 | 136.8 | 34.4 | -24.9 | 0 | 0 | 0 | 112.1 | ||||
| 11 | N | 44.6 | Very low | 40.1 | Very low | 160 Ų | 160 | 141 Ų | 141 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -134 | 94.7 | 154 | -168.5 | 19.8 | 0 | 0 | 0 | 108.1 | ||||
| 12 | S | 37.9 | Very low | 39.8 | Very low | 96 Ų | 96 | 136.2 Ų | 136.2 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | trans | -159.6 | 103.8 | -179.2 | -158.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 13 | L | 39 | Very low | 39.7 | Very low | 172 Ų | 172 | 131.8 Ų | 131.8 | 90% | 0.901 | 76% | 0.764 | S | S | * | * | 88.1 | 135.1 | 97.6 | -73.2 | 179.8 | 0 | 0 | 0 | 115 | |||||
| 14 | G | 31.7 | Very low | 39.5 | Very low | 66 Ų | 66 | 132.8 Ų | 132.8 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | trans | 150.4 | 57.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 15 | V | 36.9 | Very low | 38.7 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 78% | 0.782 | 76% | 0.762 | S | S | * | * | 74 | 91.9 | 99.1 | 177 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 16 | V | 39.6 | Very low | 38.6 | Very low | 130 Ų | 130 | 131 Ų | 131 | 79% | 0.788 | 76% | 0.761 | S | S | * | * | 57.6 | 140.4 | 74.2 | -171.6 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 17 | P | 52.8 | Low | 38.2 | Very low | 107 Ų | 107 | 138 Ų | 138 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | cis | -111.8 | -158 | 13.1 | 45.9 | -35.4 | 0 | 0 | 0 | 112.9 | ||||
| 18 | Y | 35.6 | Very low | 38 | Very low | 205 Ų | 205 | 136 Ų | 136 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | cis | -156.6 | 175.7 | -0.2 | -130.9 | 170.4 | 0 | 0 | 0 | 107.1 | ||||
| 19 | I | 41.2 | Very low | 37.9 | Very low | 133 Ų | 133 | 135.4 Ų | 135.4 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | cis | -135.4 | 159.4 | -0.2 | 23.8 | 172.5 | 0 | 0 | 0 | 106.6 | ||||
| 20 | S | 34.9 | Very low | 37.4 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | 65.1 | 129.9 | 61.1 | -135.7 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 21 | S | 32.7 | Very low | 36.6 | Very low | 112 Ų | 112 | 133 Ų | 133 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | cis | -144.9 | 151.6 | 15 | 60.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 22 | D | 38 | Very low | 35.9 | Very low | 139 Ų | 139 | 129.6 Ų | 129.6 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | trans | -55.1 | -179.2 | 166.5 | -100.7 | -64.1 | 0 | 0 | 0 | 115.9 | ||||
| 23 | P | 45.8 | Very low | 35.6 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | cis | -154.4 | 178.8 | 35.5 | 45.2 | -23.4 | 0 | 0 | 0 | 122.4 | ||||
| 24 | S | 30.6 | Very low | 35.5 | Very low | 103 Ų | 103 | 130.5 Ų | 130.5 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | trans | 82.1 | 122.2 | 154.6 | -55.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 25 | Y | 30.9 | Very low | 35.8 | Very low | 203 Ų | 203 | 134 Ų | 134 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | cis | 87.9 | 122.1 | 20.2 | -79.6 | -70.2 | 0 | 0 | 0 | 120.2 | ||||
| 26 | Y | 34.5 | Very low | 35.9 | Very low | 213 Ų | 213 | 130.9 Ų | 130.9 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | 44.4 | 127.6 | 154.9 | -81.8 | -67.1 | 0 | 0 | 0 | 122.7 | ||||
| 27 | R | 29.8 | Very low | 36 | Very low | 246 Ų | 246 | 133.6 Ų | 133.6 | 93% | 0.928 | 79% | 0.786 | S | S | * | * | 176.5 | 163.6 | 99.9 | -177.1 | 162.4 | -78.8 | -153.8 | -3.3 | 111.4 | |||||
| 28 | A | 32.7 | Very low | 35.5 | Very low | 94 Ų | 94 | 133.4 Ų | 133.4 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | trans | -115.3 | 160.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 29 | A | 34.2 | Very low | 35.8 | Very low | 94 Ų | 94 | 128.1 Ų | 128.1 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | 177.7 | 146 | 144.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 30 | A | 35.7 | Very low | 36.5 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 90% | 0.901 | 80% | 0.797 | S | S | * | * | trans | 58.5 | 165 | 160.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 31 | G | 30.6 | Very low | 36.7 | Very low | 74 Ų | 74 | 131.7 Ų | 131.7 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | cis | 149.7 | 118.1 | -12.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 32 | G | 30 | Very low | 36.9 | Very low | 87 Ų | 87 | 134.3 Ų | 134.3 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | trans | 75.3 | 175.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 33 | G | 30 | Very low | 36.9 | Very low | 67 Ų | 67 | 135.3 Ų | 135.3 | 69% | 0.691 | 82% | 0.815 | S | S | * | * | cis | 158.4 | 133.4 | -10.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 34 | Y | 36.9 | Very low | 36.7 | Very low | 221 Ų | 221 | 140.3 Ų | 140.3 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | trans | 68 | 151.1 | 162.7 | -75.2 | -85.7 | 0 | 0 | 0 | 122.2 | ||||
| 35 | T | 39 | Very low | 37 | Very low | 138 Ų | 138 | 139.9 Ų | 139.9 | 85% | 0.847 | 82% | 0.818 | S | S | * | * | trans | 63.5 | 154.6 | 171.3 | 57.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 36 | G | 37.9 | Very low | 37.6 | Very low | 64 Ų | 64 | 138.8 Ų | 138.8 | 66% | 0.66 | 82% | 0.82 | S | S | * | * | cis | 122.5 | 124.6 | 21.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 37 | M | 41.6 | Very low | 37.9 | Very low | 188 Ų | 188 | 133.6 Ų | 133.6 | 93% | 0.926 | 82% | 0.821 | S | S | * | * | -160.6 | 176.3 | 68.2 | -75.9 | -61.6 | -177.5 | 0 | 0 | 112.2 | |||||
| 38 | A | 44.1 | Very low | 38.7 | Very low | 103 Ų | 103 | 126.6 Ų | 126.6 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | trans | -80.6 | 160.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 39 | A | 42 | Very low | 39.2 | Very low | 94 Ų | 94 | 130.8 Ų | 130.8 | 78% | 0.777 | 82% | 0.819 | S | S | * | * | trans | -109.4 | 150.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 40 | P | 54 | Low | 39.8 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | trans | -87 | 153.9 | -158.2 | 33 | -37.1 | 0 | 0 | 0 | 116 | ||||
| 41 | M | 39.5 | Very low | 40.1 | Very low | 184 Ų | 184 | 136.6 Ų | 136.6 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | trans | -63.9 | 127 | 159.9 | -78.4 | -76.2 | -149.9 | 0 | 0 | 110.2 | ||||
| 42 | N | 37.2 | Very low | 40.5 | Very low | 167 Ų | 167 | 144 Ų | 144 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | trans | -99.1 | 92.1 | 171.4 | -148.8 | 57.4 | 0 | 0 | 0 | 109.9 | ||||
| 43 | M | 37.4 | Very low | 41.3 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | trans | -93.5 | 122.4 | 178.8 | 178.5 | -176.7 | -176.8 | 0 | 0 | 109.8 | ||||
| 44 | Y | 42.4 | Very low | 42.4 | Very low | 215 Ų | 215 | 146.8 Ų | 146.8 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | trans | -158.4 | 135.7 | 151.5 | -127 | 42.4 | 0 | 0 | 0 | 111 | ||||
| 45 | S | 36.1 | Very low | 43.2 | Very low | 94 Ų | 94 | 140.6 Ų | 140.6 | 66% | 0.657 | 81% | 0.81 | S | S | * | * | trans | -103.9 | 143.9 | -178.5 | -54.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 46 | H | 43.6 | Very low | 44 | Very low | 180 Ų | 180 | 143.5 Ų | 143.5 | 83% | 0.833 | 82% | 0.817 | S | S | * | * | trans | -124.4 | 141.3 | 155.3 | -85.6 | -83.3 | 0 | 0 | 0 | 109.6 | ||||
| 47 | A | 42.3 | Very low | 44.6 | Very low | 104 Ų | 104 | 144.8 Ų | 144.8 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | trans | -82 | 168.7 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 48 | A | 45.6 | Very low | 45 | Very low | 99 Ų | 99 | 147.2 Ų | 147.2 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -68.8 | 154.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 49 | H | 44.2 | Very low | 45.1 | Very low | 182 Ų | 182 | 146.6 Ų | 146.6 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | trans | -143.1 | 140.4 | 145.5 | -137.6 | -51.6 | 0 | 0 | 0 | 109.3 | ||||
| 50 | D | 46.1 | Very low | 45.6 | Very low | 139 Ų | 139 | 153.6 Ų | 153.6 | 74% | 0.743 | 82% | 0.823 | S | S | * | * | trans | -65.2 | 128.6 | -173.4 | -58.2 | -102.1 | 0 | 0 | 0 | 114.4 | ||||
| 51 | Q | 42 | Very low | 45.6 | Very low | 187 Ų | 187 | 150.2 Ų | 150.2 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -170.3 | 111.3 | 130.8 | -103.1 | 153.8 | 24.3 | 0 | 0 | 111.5 | P53 | Q51-P53 VanDerWaalsContact O-CD 3.27Å; Q51-P53 WeakPolarHBondContact O-CD 3.29Å | ||
| 52 | Y | 39 | Very low | 46.5 | Very low | 230 Ų | 230 | 147 Ų | 147 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -83 | 114.5 | 168.2 | -92 | -91.6 | 0 | 0 | 0 | 110.2 | A54 | Y52-A54 PolarHBondContact O-N 2.79Š| ||
| 53 | P | 47.4 | Very low | 47.2 | Very low | 104 Ų | 104 | 149.5 Ų | 149.5 | 68% | 0.675 | 80% | 0.801 | S | S | * | * | trans | -74.4 | 94.5 | 166.7 | 30.2 | -32.9 | 0 | 0 | 0 | 109.5 | Q51 S55 | Q51-P53 VanDerWaalsContact O-CD 3.27Å; Q51-P53 WeakPolarHBondContact O-CD 3.29Å; P53-S55 VanDerWaalsContact C-N 3.25Å; P53-S55 PolarHBondContact O-N 3.45Å; P53-S55 PolarHBondContact O-OG 2.77Å | ||
| 54 | A | 52.5 | Low | 48.5 | Very low | 108 Ų | 108 | 147.3 Ų | 147.3 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | trans | -63.7 | 79.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y52 | Y52-A54 PolarHBondContact O-N 2.79Š| ||
| 55 | S | 54.1 | Low | 49.6 | Very low | 91 Ų | 91 | 142.3 Ų | 142.3 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | trans | -121.2 | 4.1 | -175.2 | 53.6 | 0 | 0 | 0 | 0 | 112.9 | P53 A57 | P53-S55 VanDerWaalsContact C-N 3.25Å; P53-S55 PolarHBondContact O-N 3.45Å; P53-S55 PolarHBondContact O-OG 2.77Å; S55-A57 PolarHBondContact O-N 3.06Å | ||
| 56 | M | 55.2 | Low | 50.7 | Low | 199 Ų | 199 | 145.3 Ų | 145.3 | 98% | 0.98 | 79% | 0.794 | S | S | * | * | trans | -77.3 | 55.4 | 174.4 | -65.7 | -173.2 | 179.3 | 0 | 0 | 111.9 | ||||
| 57 | A | 50.6 | Low | 51.5 | Low | 90 Ų | 90 | 142.1 Ų | 142.1 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | -128 | 34.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | S55 A59 | S55-A57 PolarHBondContact O-N 3.06Å; A57-A59 VanDerWaalsContact C-N 3.31Å; A57-A59 PolarHBondContact O-N 3.46Å | ||
| 58 | R | 49.1 | Very low | 52.4 | Low | 240 Ų | 240 | 143.4 Ų | 143.4 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | trans | -66.3 | 97.8 | 160.3 | -89.8 | -171.3 | 172.9 | 150.8 | 1.9 | 107.8 | Y60 | R58-Y60 PolarHBondContact O-N 3.21Š| ||
| 59 | A | 47 | Very low | 53.4 | Low | 90 Ų | 90 | 142.1 Ų | 142.1 | 74% | 0.744 | 76% | 0.761 | S | S | * | * | trans | -51.9 | 139.6 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | A57 G61 | A57-A59 VanDerWaalsContact C-N 3.31Å; A57-A59 PolarHBondContact O-N 3.46Å; A59-G61 PolarHBondContact O-N 3.28Å | ||
| 60 | Y | 51.7 | Low | 54.3 | Low | 241 Ų | 241 | 142.3 Ų | 142.3 | 95% | 0.945 | 76% | 0.76 | S | S | * | * | trans | -71.6 | 67 | 166.5 | -74 | -90.5 | 0 | 0 | 0 | 109.5 | R58 | R58-Y60 PolarHBondContact O-N 3.21Š| ||
| 61 | G | 54.5 | Low | 55.2 | Low | 51 Ų | 51 | 140.8 Ų | 140.8 | 53% | 0.526 | 75% | 0.751 | S | S | . | * | trans | -58.3 | 138.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | A59 Y63 | A59-G61 PolarHBondContact O-N 3.28Å; G61-Y63 PolarHBondContact O-N 3.35Å; G61-Y63 VanDerWaalsContact O-N 3.15Å | ||
| 62 | P | 59 | Low | 56.9 | Low | 118 Ų | 118 | 136.3 Ų | 136.3 | 77% | 0.766 | 73% | 0.732 | S | S | * | * | trans | -58.4 | 124.6 | 179.5 | 24.8 | -33.5 | 0 | 0 | 0 | 108.7 | T64 | P62-T64 PolarHBondContact O-N 3.45Š| ||
| 63 | Y | 51 | Low | 59.1 | Low | 219 Ų | 219 | 130.1 Ų | 130.1 | 86% | 0.859 | 72% | 0.718 | S | S | * | * | trans | -71.6 | 81.3 | -178.5 | -162.1 | -84.6 | 0 | 0 | 0 | 109.1 | G61 P65 | G61-Y63 PolarHBondContact O-N 3.35Å; G61-Y63 VanDerWaalsContact O-N 3.15Å; Y63-P65 VanDerWaalsContact O-CD 3.24Å; Y63-P65 WeakPolarHBondContact O-CD 3.46Å; Y63-P65 VanDerWaalsContact O-N 3.14Å | ||
| 64 | T | 65.5 | Low | 61.2 | Low | 113 Ų | 113 | 130.2 Ų | 130.2 | 69% | 0.693 | 71% | 0.708 | S | S | * | * | trans | -60.4 | 113.4 | 171 | 43.6 | 0 | 0 | 0 | 0 | 107.2 | P62 Q66 | P62-T64 PolarHBondContact O-N 3.45Å; T64-Q66 PolarHBondContact O-N 2.92Å; T64-Q66 VanDerWaalsContact O-N 3.07Å | ||
| 65 | P | 64.9 | Low | 63 | Low | 109 Ų | 109 | 126 Ų | 126 | 71% | 0.708 | 67% | 0.671 | S | S | * | * | trans | -63.3 | 121.1 | 178.9 | 25.9 | -32.4 | 0 | 0 | 0 | 107.4 | Y63 | Y63-P65 VanDerWaalsContact O-CD 3.24Å; Y63-P65 WeakPolarHBondContact O-CD 3.46Å; Y63-P65 VanDerWaalsContact O-N 3.14Å | ||
| 66 | Q | 60.2 | Low | 64.7 | Low | 157 Ų | 157 | 125.7 Ų | 125.7 | 73% | 0.734 | 67% | 0.667 | S | S | * | * | trans | -44.8 | 125.3 | 173.9 | -82.8 | -73.5 | -3.7 | 0 | 0 | 108.7 | T64 Q68 | T64-Q66 PolarHBondContact O-N 2.92Å; T64-Q66 VanDerWaalsContact O-N 3.07Å; Q66-Q68 PolarHBondContact O-N 3.37Å | ||
| 67 | P | 60.5 | Low | 66.5 | Low | 113 Ų | 113 | 119.7 Ų | 119.7 | 73% | 0.734 | 63% | 0.634 | S | S | * | * | trans | -66.2 | 96.6 | -171.3 | 25.9 | -34 | 0 | 0 | 0 | 109.4 | ||||
| 68 | Q | 59.8 | Low | 68.6 | Low | 131 Ų | 131 | 117.2 Ų | 117.2 | 61% | 0.612 | 61% | 0.611 | S | S | * | * | trans | -50.9 | 129 | 174.8 | -66.9 | -66.3 | -35.3 | 0 | 0 | 108.2 | Q66 K70 | Q66-Q68 PolarHBondContact O-N 3.37Å; Q68-K70 PolarHBondContact O-N 3Å | ||
| 69 | P | 67.7 | Low | 70.8 | Confident | 73 Ų | 73 | 108.3 Ų | 108.3 | 47% | 0.474 | 58% | 0.578 | S | S | . | * | trans | -56.2 | 129.9 | -178.6 | 22.2 | -31.5 | 0 | 0 | 0 | 108.6 | D71 M72 | P69-D71 PolarHBondContact O-N 3.2Å; P69-M72 HydrophobicContact CG-CG 4.07Å; P69-M72 HydrophobicContact CG-SD 3.77Å; P69-M72 WeakPolarHBondContact O-CB 3.36Å; P69-M72 PolarHBondContact O-N 3.02Å | ||
| 70 | K | 62.5 | Low | 73.1 | Confident | 186 Ų | 186 | 105.7 Ų | 105.7 | 81% | 0.809 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -59.3 | -21.1 | -163.6 | -67 | 174.2 | -179 | 171.6 | 0 | 112.9 | Q68 M72 V73 | Q68-K70 PolarHBondContact O-N 3Å; K70-M72 PolarHBondContact O-N 3.23Å; K70-V73 WeakPolarHBondContact O-CB 3.4Å; K70-V73 WeakPolarHBondContact O-CG2 3.39Å; K70-V73 PolarHBondContact O-N 3.34Å; K70-V73 VanDerWaalsContact O-N 3.12Å |
| 71 | D | 65.4 | Low | 75.2 | Confident | 106 Ų | 106 | 94.3 Ų | 94.3 | 57% | 0.567 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -69.7 | -14.2 | 177.1 | -41.4 | -70.3 | 0 | 0 | 0 | 114.1 | P69 V73 P109 F110 | P69-D71 PolarHBondContact O-N 3.2Å; D71-V73 VanDerWaalsContact C-N 3.34Å; D71-P109 HydrophobicContact CB-CB 4.31Å; D71-P109 HydrophobicContact CB-CG 4.09Å; D71-F110 PolarHBondContact O-N 2.96Å |
| 72 | M | 78.3 | Confident | 77.1 | Confident | 94 Ų | 94 | 91.9 Ų | 91.9 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -88.3 | 4.1 | 171.1 | -62.3 | -174.9 | 75.3 | 0 | 0 | 113.1 | P69 K70 F110 | P69-M72 HydrophobicContact CG-CG 4.07Å; P69-M72 HydrophobicContact CG-SD 3.77Å; P69-M72 WeakPolarHBondContact O-CB 3.36Å; P69-M72 PolarHBondContact O-N 3.02Å; K70-M72 PolarHBondContact O-N 3.23Å; M72-F110 VanDerWaalsContact O-CD2 3.29Å; M72-F110 WeakPolarHBondContact O-CD2 3.42Å |
| 73 | V | 85.3 | Confident | 79 | Confident | 100 Ų | 100 | 86.2 Ų | 86.2 | 61% | 0.606 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -84.6 | 135.4 | 172.2 | -178.9 | 0 | 0 | 0 | 0 | 110 | K70 D71 P75 | K70-V73 WeakPolarHBondContact O-CB 3.4Å; K70-V73 WeakPolarHBondContact O-CG2 3.39Å; K70-V73 PolarHBondContact O-N 3.34Å; K70-V73 VanDerWaalsContact O-N 3.12Å; D71-V73 VanDerWaalsContact C-N 3.34Å; V73-P75 VanDerWaalsContact O-CD 3.31Å; V73-P75 WeakPolarHBondContact O-CD 3.43Å |
| 74 | K | 89.8 | Confident | 81.1 | Confident | 106 Ų | 106 | 75.8 Ų | 75.8 | 46% | 0.461 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -59 | 120.8 | 178.4 | -175.4 | 165.2 | -171.9 | 167.8 | 0 | 111.2 | Y79 F110 Y111 | K74-Y79 PolarHBondContact NZ-OH 3.24Å; K74-F110 HydrophobicContact CB-CD1 4.05Å; K74-F110 HydrophobicContact CB-CD2 4.29Å; K74-F110 HydrophobicContact CB-CE1 3.7Å; K74-F110 HydrophobicContact CB-CE2 3.94Å; K74-F110 HydrophobicContact CB-CG 4.34Å; K74-F110 HydrophobicContact CB-CZ 3.65Å; K74-F110 HydrophobicContact CD-CE1 3.72Å; K74-F110 HydrophobicContact CD-CZ 3.87Å; K74-F110 HydrophobicContact CG-CD1 4Å; K74-F110 HydrophobicContact CG-CE1 3.5Å; K74-F110 HydrophobicContact CG-CZ 3.87Å; K74-Y111 VanDerWaalsContact CE-OH 3.27Å; K74-Y111 WeakPolarHBondContact CE-OH 3.49Å |
| 75 | P | 90.6 | Very high | 82.5 | Confident | 18 Ų | 18 | 71.3 Ų | 71.3 | 12% | 0.117 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 147.7 | -179.6 | -25.2 | 33.5 | 0 | 0 | 0 | 113.1 | V73 Y77 F108 Y111 | V73-P75 VanDerWaalsContact O-CD 3.31Å; V73-P75 WeakPolarHBondContact O-CD 3.43Å; P75-Y77 HydrophobicContact CB-CD2 3.72Å; P75-Y77 HydrophobicContact CB-CE2 4.3Å; P75-Y77 PolarHBondContact O-N 2.93Å; P75-F108 HydrophobicContact CB-CD1 3.99Å; P75-F108 HydrophobicContact CB-CE1 4.16Å; P75-F108 HydrophobicContact CG-CB 3.91Å; P75-F108 HydrophobicContact CG-CD1 3.44Å; P75-F108 VanDerWaalsContact CG-CD1 3.44Å; P75-F108 HydrophobicContact CG-CE1 4.12Å; P75-F108 HydrophobicContact CG-CG 3.76Å; P75-Y111 HydrophobicContact CG-CE2 4.15Å |
| 76 | P | 90.5 | Very high | 84.1 | Confident | 86 Ų | 86 | 66.2 Ų | 66.2 | 56% | 0.558 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -73.7 | 18.6 | -176.9 | 32 | -37.3 | 0 | 0 | 0 | 114.8 | L164 | P76-L164 HydrophobicContact CB-CD2 4.35Å; P76-L164 HydrophobicContact CG-CD2 4.2Å |
| 77 | Y | 92.6 | Very high | 85.8 | Confident | 72 Ų | 72 | 58.9 Ų | 58.9 | 28% | 0.282 | 31% | 0.308 | S | S | . | . | B | Isolated β-bridge | trans | -96.2 | 146.6 | -176.5 | -58 | -57.9 | 0 | 0 | 0 | 111.9 | P75 L82 M85 F108 F163 L164 | P75-Y77 HydrophobicContact CB-CD2 3.72Å; P75-Y77 HydrophobicContact CB-CE2 4.3Å; P75-Y77 PolarHBondContact O-N 2.93Å; Y77-L82 HydrophobicContact CD2-CD2 4.42Å; Y77-M85 HydrophobicContact CD1-CE 4.16Å; Y77-M85 HydrophobicContact CD2-CE 3.88Å; Y77-M85 HydrophobicContact CE2-CE 4.28Å; Y77-M85 HydrophobicContact CG-CE 3.83Å; Y77-F108 AromaticContact CD2-CE1 3.99Å; Y77-F108 HydrophobicContact CD2-CE1 3.99Å; Y77-F108 AromaticContact CD2-CZ 3.73Å; Y77-F108 HydrophobicContact CD2-CZ 3.73Å; Y77-F108 AromaticContact CE2-CE1 3.8Å; Y77-F108 HydrophobicContact CE2-CE1 3.8Å; Y77-F108 AromaticContact CE2-CZ 3.73Å; Y77-F108 HydrophobicContact CE2-CZ 3.73Å; Y77-F163 HydrophobicContact CD1-CB 3.91Å; Y77-F163 HydrophobicContact CE1-CB 3.88Å; Y77-L164 HydrophobicContact CE1-CD2 4.2Å |
| 78 | S | 94.3 | Very high | 87.4 | Confident | 38 Ų | 38 | 55 Ų | 55 | 27% | 0.266 | 28% | 0.28 | S | S | . | . | trans | -78.3 | 160.7 | 169.3 | 66.6 | 0 | 0 | 0 | 0 | 110.8 | I80 A81 L82 | S78-I80 PolarHBondContact O-N 3.39Å; S78-A81 PolarHBondContact O-N 3.46Å; S78-A81 VanDerWaalsContact O-N 3.07Å; S78-A81 PolarHBondContact OG-N 3.47Å; S78-A81 VanDerWaalsContact OG-N 3.08Å; S78-L82 WeakPolarHBondContact O-CG 3.41Å; S78-L82 PolarHBondContact O-N 3.22Å | ||
| 79 | Y | 96.3 | Very high | 89.1 | Confident | 53 Ų | 53 | 52.6 Ų | 52.6 | 21% | 0.208 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.1 | -35.3 | 173.1 | -66.1 | -59.9 | 0 | 0 | 0 | 112.2 | K74 L82 I83 Y111 W118 I122 | K74-Y79 PolarHBondContact NZ-OH 3.24Å; Y79-L82 HydrophobicContact CD1-CD1 4.09Å; Y79-L82 PolarHBondContact O-N 2.87Å; Y79-I83 WeakPolarHBondContact O-CD1 3.42Å; Y79-I83 VanDerWaalsContact O-CG1 3.22Å; Y79-I83 WeakPolarHBondContact O-CG1 3.43Å; Y79-I83 PolarHBondContact O-N 3.39Å; Y79-Y111 HydrophobicContact CE1-CE1 4.26Å; Y79-W118 HydrophobicContact CE1-CB 4.35Å; Y79-I122 HydrophobicContact CD1-CD1 3.89Å; Y79-I122 HydrophobicContact CD1-CG1 4.45Å; Y79-I122 HydrophobicContact CG-CD1 4.48Å |
| 80 | I | 95.1 | Very high | 90.4 | Very high | 36 Ų | 36 | 50 Ų | 50 | 19% | 0.185 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.4 | -53.3 | 171.4 | -55.6 | 173.6 | 0 | 0 | 0 | 110.1 | S78 L82 I83 T84 N129 F132 F158 | S78-I80 PolarHBondContact O-N 3.39Å; I80-L82 VanDerWaalsContact C-N 3.32Å; I80-L82 PolarHBondContact O-N 3.24Å; I80-I83 PolarHBondContact O-N 3.21Å; I80-T84 PolarHBondContact O-N 2.93Å; I80-T84 PolarHBondContact O-OG1 3.35Å; I80-T84 VanDerWaalsContact O-OG1 3.11Å; I80-N129 VanDerWaalsContact CD1-OD1 3.29Å; I80-N129 WeakPolarHBondContact CD1-OD1 3.3Å; I80-F132 HydrophobicContact CB-CE2 4.35Å; I80-F132 HydrophobicContact CB-CZ 4.32Å; I80-F132 HydrophobicContact CG1-CE2 4.43Å; I80-F132 HydrophobicContact CG2-CE2 3.96Å; I80-F132 HydrophobicContact CG2-CZ 3.67Å; I80-F158 HydrophobicContact CG2-CE1 4.09Å; I80-F158 HydrophobicContact CG2-CZ 3.68Å |
| 81 | A | 94.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.5 | -36.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S78 T84 M85 F163 | S78-A81 PolarHBondContact O-N 3.46Å; S78-A81 VanDerWaalsContact O-N 3.07Å; S78-A81 PolarHBondContact OG-N 3.47Å; S78-A81 VanDerWaalsContact OG-N 3.08Å; A81-T84 PolarHBondContact O-N 3.22Å; A81-M85 WeakPolarHBondContact O-CB 3.42Å; A81-M85 WeakPolarHBondContact O-CE 3.39Å; A81-M85 WeakPolarHBondContact O-CG 3.29Å; A81-M85 PolarHBondContact O-N 3.07Å; A81-F163 HydrophobicContact CB-CB 4.17Å; A81-F163 HydrophobicContact CB-CD1 4.38Å; A81-F163 VanDerWaalsContact CB-O 3.26Å; A81-F163 WeakPolarHBondContact CB-O 3.34Å |
| 82 | L | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 174.3 | -67.7 | 172.8 | 0 | 0 | 0 | 112.2 | Y77 S78 Y79 I80 M85 A86 I104 F108 Y111 | Y77-L82 HydrophobicContact CD2-CD2 4.42Å; S78-L82 WeakPolarHBondContact O-CG 3.41Å; S78-L82 PolarHBondContact O-N 3.22Å; Y79-L82 HydrophobicContact CD1-CD1 4.09Å; Y79-L82 PolarHBondContact O-N 2.87Å; I80-L82 VanDerWaalsContact C-N 3.32Å; I80-L82 PolarHBondContact O-N 3.24Å; L82-M85 HydrophobicContact CD2-CE 4Å; L82-A86 PolarHBondContact O-N 3.15Å; L82-I104 HydrophobicContact CB-CD1 3.86Å; L82-I104 HydrophobicContact CB-CG1 4.21Å; L82-F108 HydrophobicContact CD2-CD2 3.63Å; L82-F108 HydrophobicContact CD2-CE2 3.35Å; L82-F108 HydrophobicContact CD2-CZ 4.15Å; L82-Y111 HydrophobicContact CD1-CE2 3.78Å |
| 83 | I | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.5 | -47.5 | 175.4 | -66.1 | 159.5 | 0 | 0 | 0 | 110.4 | Y79 I80 M85 A86 I87 I100 I122 N125 L126 F132 | Y79-I83 WeakPolarHBondContact O-CD1 3.42Å; Y79-I83 VanDerWaalsContact O-CG1 3.22Å; Y79-I83 WeakPolarHBondContact O-CG1 3.43Å; Y79-I83 PolarHBondContact O-N 3.39Å; I80-I83 PolarHBondContact O-N 3.21Å; I83-M85 VanDerWaalsContact C-N 3.34Å; I83-M85 PolarHBondContact O-N 3.27Å; I83-A86 WeakPolarHBondContact O-CB 3.36Å; I83-A86 PolarHBondContact O-N 2.97Å; I83-A86 VanDerWaalsContact O-N 3.08Å; I83-I87 HydrophobicContact CG2-CD1 3.77Å; I83-I87 HydrophobicContact CG2-CG1 4.43Å; I83-I87 WeakPolarHBondContact O-CG1 3.46Å; I83-I87 PolarHBondContact O-N 3.25Å; I83-I100 HydrophobicContact CG1-CG2 4.14Å; I83-I100 HydrophobicContact CG2-CD1 4.18Å; I83-I122 HydrophobicContact CD1-CD1 4.09Å; I83-I122 HydrophobicContact CD1-CG2 4.37Å; I83-I122 HydrophobicContact CG1-CD1 3.83Å; I83-I122 HydrophobicContact CG1-CG2 4.33Å; I83-N125 HydrophobicContact CD1-CB 3.86Å; I83-L126 HydrophobicContact CD1-CD2 4.03Å; I83-L126 HydrophobicContact CD1-CG 3.97Å; I83-L126 HydrophobicContact CG1-CD2 4.4Å; I83-L126 HydrophobicContact CG2-CD2 3.65Å; I83-F132 HydrophobicContact CB-CE1 4.01Å; I83-F132 HydrophobicContact CB-CE2 4.11Å; I83-F132 HydrophobicContact CB-CZ 3.66Å; I83-F132 HydrophobicContact CD1-CD2 4.39Å; I83-F132 HydrophobicContact CD1-CE2 3.89Å; I83-F132 HydrophobicContact CD1-CZ 4.32Å; I83-F132 HydrophobicContact CG2-CD1 3.71Å; I83-F132 HydrophobicContact CG2-CD2 4.26Å; I83-F132 HydrophobicContact CG2-CE1 3.38Å; I83-F132 HydrophobicContact CG2-CE2 3.95Å; I83-F132 HydrophobicContact CG2-CG 4.15Å; I83-F132 HydrophobicContact CG2-CZ 3.51Å |
| 84 | T | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.8 | -42 | 179.5 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | I80 A81 A86 I87 Q88 L150 F158 F163 | I80-T84 PolarHBondContact O-N 2.93Å; I80-T84 PolarHBondContact O-OG1 3.35Å; I80-T84 VanDerWaalsContact O-OG1 3.11Å; A81-T84 PolarHBondContact O-N 3.22Å; T84-A86 VanDerWaalsContact C-N 3.33Å; T84-A86 PolarHBondContact O-N 2.65Å; T84-I87 PolarHBondContact O-N 2.87Å; T84-Q88 HydrophobicContact CG2-CG 4.15Å; T84-Q88 WeakPolarHBondContact O-CB 3.4Å; T84-Q88 WeakPolarHBondContact O-CG 3.18Å; T84-Q88 PolarHBondContact O-N 3.3Å; T84-L150 HydrophobicContact CG2-CD1 4.08Å; T84-L150 HydrophobicContact CG2-CD2 3.89Å; T84-F158 HydrophobicContact CG2-CB 3.73Å; T84-F158 HydrophobicContact CG2-CD1 4.11Å; T84-F158 HydrophobicContact CG2-CD2 3.85Å; T84-F158 HydrophobicContact CG2-CE2 4.49Å; T84-F158 HydrophobicContact CG2-CG 3.63Å; T84-F163 HydrophobicContact CG2-CE1 4.46Å |
| 85 | M | 95.6 | Very high | 95 | Very high | 18 Ų | 18 | 40.6 Ų | 40.6 | 9% | 0.089 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.5 | -41.6 | 173.6 | -75.9 | -173.9 | -73.5 | 0 | 0 | 111.9 | Y77 A81 L82 I83 I87 Q88 N89 F103 F108 F163 | Y77-M85 HydrophobicContact CD1-CE 4.16Å; Y77-M85 HydrophobicContact CD2-CE 3.88Å; Y77-M85 HydrophobicContact CE2-CE 4.28Å; Y77-M85 HydrophobicContact CG-CE 3.83Å; A81-M85 WeakPolarHBondContact O-CB 3.42Å; A81-M85 WeakPolarHBondContact O-CE 3.39Å; A81-M85 WeakPolarHBondContact O-CG 3.29Å; A81-M85 PolarHBondContact O-N 3.07Å; L82-M85 HydrophobicContact CD2-CE 4Å; I83-M85 VanDerWaalsContact C-N 3.34Å; I83-M85 PolarHBondContact O-N 3.27Å; M85-I87 PolarHBondContact O-N 3.1Å; M85-Q88 PolarHBondContact O-N 3.07Å; M85-N89 WeakPolarHBondContact O-CB 3.49Å; M85-N89 PolarHBondContact O-N 2.91Å; M85-N89 PolarHBondContact O-ND2 3.21Å; M85-F103 HydrophobicContact CB-CE1 3.79Å; M85-F103 HydrophobicContact CB-CZ 4.02Å; M85-F108 HydrophobicContact CE-CE2 4.16Å; M85-F108 HydrophobicContact CE-CZ 4.06Å; M85-F163 HydrophobicContact CG-CD1 3.82Å; M85-F163 HydrophobicContact CG-CE1 3.83Å; M85-F163 HydrophobicContact CG-CG 4.41Å; M85-F163 HydrophobicContact CG-CZ 4.41Å; M85-F163 HydrophobicContact SD-CD1 4.45Å; M85-F163 HydrophobicContact SD-CG 4.5Å |
| 86 | A | 97.3 | Very high | 95.4 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 3% | 0.025 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.1 | -40.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L82 I83 T84 S90 I100 F103 | L82-A86 PolarHBondContact O-N 3.15Å; I83-A86 WeakPolarHBondContact O-CB 3.36Å; I83-A86 PolarHBondContact O-N 2.97Å; I83-A86 VanDerWaalsContact O-N 3.08Å; T84-A86 VanDerWaalsContact C-N 3.33Å; T84-A86 PolarHBondContact O-N 2.65Å; A86-S90 PolarHBondContact O-N 2.97Å; A86-I100 HydrophobicContact CB-CG1 4.23Å; A86-I100 HydrophobicContact CB-CG2 4.43Å; A86-F103 HydrophobicContact CB-CB 4.08Å; A86-F103 HydrophobicContact CB-CD1 3.47Å; A86-F103 VanDerWaalsContact CB-CD1 3.47Å; A86-F103 HydrophobicContact CB-CE1 4.03Å; A86-F103 HydrophobicContact CB-CG 3.83Å |
| 87 | I | 96.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.5 | -50.9 | 174.7 | -66.2 | 162.6 | 0 | 0 | 0 | 110.4 | I83 T84 M85 N89 S90 K93 V95 F132 L150 | I83-I87 HydrophobicContact CG2-CD1 3.77Å; I83-I87 HydrophobicContact CG2-CG1 4.43Å; I83-I87 WeakPolarHBondContact O-CG1 3.46Å; I83-I87 PolarHBondContact O-N 3.25Å; T84-I87 PolarHBondContact O-N 2.87Å; M85-I87 PolarHBondContact O-N 3.1Å; I87-N89 VanDerWaalsContact C-N 3.32Å; I87-N89 PolarHBondContact O-N 2.89Å; I87-S90 WeakPolarHBondContact O-CB 3.31Å; I87-S90 PolarHBondContact O-N 3.5Å; I87-S90 VanDerWaalsContact O-N 3.12Å; I87-S90 PolarHBondContact O-OG 3.1Å; I87-K93 VanDerWaalsContact CG2-O 3.27Å; I87-K93 WeakPolarHBondContact CG2-O 3.37Å; I87-V95 HydrophobicContact CB-CG1 4.49Å; I87-V95 HydrophobicContact CG1-CG1 3.62Å; I87-F132 HydrophobicContact CD1-CD1 3.69Å; I87-F132 HydrophobicContact CD1-CE1 3.84Å; I87-L150 HydrophobicContact CD1-CB 4.47Å; I87-L150 HydrophobicContact CG2-CB 4.11Å |
| 88 | Q | 94.4 | Very high | 95.9 | Very high | 31 Ų | 31 | 40.7 Ų | 40.7 | 15% | 0.145 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.6 | -31.1 | -176.4 | -74.7 | 174.6 | -32.2 | 0 | 0 | 113.6 | T84 M85 K93 F163 | T84-Q88 HydrophobicContact CG2-CG 4.15Å; T84-Q88 WeakPolarHBondContact O-CB 3.4Å; T84-Q88 WeakPolarHBondContact O-CG 3.18Å; T84-Q88 PolarHBondContact O-N 3.3Å; M85-Q88 PolarHBondContact O-N 3.07Å; Q88-K93 PolarHBondContact O-NZ 2.7Å; Q88-F163 VanDerWaalsContact OE1-CE1 3.31Å; Q88-F163 VanDerWaalsContact OE1-CZ 3.27Å |
| 89 | N | 94.9 | Very high | 96.1 | Very high | 82 Ų | 82 | 39.8 Ų | 39.8 | 44% | 0.439 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -82.4 | -11.2 | 176.4 | -75.9 | -109.1 | 0 | 0 | 0 | 112.9 | M85 I87 F103 R107 | M85-N89 WeakPolarHBondContact O-CB 3.49Å; M85-N89 PolarHBondContact O-N 2.91Å; M85-N89 PolarHBondContact O-ND2 3.21Å; I87-N89 VanDerWaalsContact C-N 3.32Å; I87-N89 PolarHBondContact O-N 2.89Å; N89-F103 HydrophobicContact CB-CD2 4.34Å; N89-F103 HydrophobicContact CB-CE2 3.54Å; N89-F103 HydrophobicContact CB-CZ 4.05Å; N89-R107 PolarHBondContact OD1-NH2 3.34Å |
| 90 | S | 95.6 | Very high | 96.2 | Very high | 17 Ų | 17 | 37.3 Ų | 37.3 | 12% | 0.119 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -74.7 | 141.3 | 169.2 | 74.2 | 0 | 0 | 0 | 0 | 110.6 | A86 I87 K93 K94 | A86-S90 PolarHBondContact O-N 2.97Å; I87-S90 WeakPolarHBondContact O-CB 3.31Å; I87-S90 PolarHBondContact O-N 3.5Å; I87-S90 VanDerWaalsContact O-N 3.12Å; I87-S90 PolarHBondContact O-OG 3.1Å; S90-K93 PolarHBondContact O-N 3.36Å; S90-K93 WeakPolarHBondContact OG-CA 3.19Å; S90-K93 PolarHBondContact OG-N 3.01Å; S90-K94 PolarHBondContact OG-N 3.37Å; S90-K94 PolarHBondContact OG-O 3.43Å |
| 91 | P | 94.9 | Very high | 96.3 | Very high | 115 Ų | 115 | 36.6 Ų | 36.6 | 75% | 0.747 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -48.6 | -178 | 23.4 | -32.2 | 0 | 0 | 0 | 111.2 | K93 | P91-K93 PolarHBondContact O-N 3.38Å; P91-K93 VanDerWaalsContact O-N 3.12Å |
| 92 | D | 94.9 | Very high | 96.4 | Very high | 100 Ų | 100 | 41.8 Ų | 41.8 | 54% | 0.535 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 2.6 | 179.7 | -69.2 | 41.3 | 0 | 0 | 0 | 114.8 | K94 | D92-K94 HydrophobicContact CB-CD 4.04Å; D92-K94 HydrophobicContact CB-CG 3.73Å; D92-K94 PolarHBondContact O-N 2.98Å; D92-K94 WeakPolarHBondContact OD2-CE 3.36Å; D92-K94 IonicContact OD2-NZ 2.65Å; D92-K94 PolarHBondContact OD2-NZ 3.35Å |
| 93 | K | 95.6 | Very high | 96.5 | Very high | 97 Ų | 97 | 42.9 Ų | 42.9 | 42% | 0.422 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 49.9 | 28.6 | -171 | -52.3 | -62.6 | 170.2 | 178.3 | 0 | 114 | I87 Q88 S90 P91 | I87-K93 VanDerWaalsContact CG2-O 3.27Å; I87-K93 WeakPolarHBondContact CG2-O 3.37Å; Q88-K93 PolarHBondContact O-NZ 2.7Å; S90-K93 PolarHBondContact O-N 3.36Å; S90-K93 WeakPolarHBondContact OG-CA 3.19Å; S90-K93 PolarHBondContact OG-N 3.01Å; P91-K93 PolarHBondContact O-N 3.38Å; P91-K93 VanDerWaalsContact O-N 3.12Å |
| 94 | K | 95.7 | Very high | 96.5 | Very high | 67 Ų | 67 | 42.9 Ų | 42.9 | 29% | 0.291 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 137.5 | 177.4 | 76.4 | -164.4 | 174.7 | -124 | 0 | 109.5 | S90 D92 Y147 W148 T149 | S90-K94 PolarHBondContact OG-N 3.37Å; S90-K94 PolarHBondContact OG-O 3.43Å; D92-K94 HydrophobicContact CB-CD 4.04Å; D92-K94 HydrophobicContact CB-CG 3.73Å; D92-K94 PolarHBondContact O-N 2.98Å; D92-K94 WeakPolarHBondContact OD2-CE 3.36Å; D92-K94 IonicContact OD2-NZ 2.65Å; D92-K94 PolarHBondContact OD2-NZ 3.35Å; K94-Y147 HydrophobicContact CB-CD1 4.4Å; K94-Y147 HydrophobicContact CD-CD1 4.28Å; K94-Y147 HydrophobicContact CD-CG 4.21Å; K94-Y147 HydrophobicContact CG-CD1 3.79Å; K94-Y147 HydrophobicContact CG-CE1 4.26Å; K94-Y147 HydrophobicContact CG-CG 4.12Å; K94-W148 WeakPolarHBondContact CA-O 3.03Å; K94-T149 HydrophobicContact CB-CG2 3.49Å; K94-T149 VanDerWaalsContact CB-CG2 3.49Å |
| 95 | V | 97.3 | Very high | 96.5 | Very high | 16 Ų | 16 | 44.8 Ų | 44.8 | 10% | 0.097 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 148.7 | -174.4 | 68.4 | 0 | 0 | 0 | 0 | 110.7 | I87 I100 W148 | I87-V95 HydrophobicContact CB-CG1 4.49Å; I87-V95 HydrophobicContact CG1-CG1 3.62Å; V95-I100 HydrophobicContact CB-CG1 4.45Å; V95-I100 HydrophobicContact CG1-CD1 3.89Å; V95-I100 HydrophobicContact CG1-CG1 3.46Å; V95-I100 VanDerWaalsContact CG1-CG1 3.46Å; V95-I100 HydrophobicContact CG2-CG1 4.16Å; V95-W148 PolarHBondContact N-O 3Å; V95-W148 PolarHBondContact O-N 2.97Å |
| 96 | T | 97.6 | Very high | 96.6 | Very high | 32 Ų | 32 | 50.7 Ų | 50.7 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 158.8 | 173.5 | 68.3 | 0 | 0 | 0 | 0 | 110.4 | N98 G99 I100 Y147 | T96-N98 PolarHBondContact O-N 3.48Å; T96-N98 VanDerWaalsContact O-N 3.14Å; T96-G99 WeakPolarHBondContact O-CA 3.29Å; T96-G99 PolarHBondContact O-N 2.86Å; T96-G99 PolarHBondContact OG1-N 2.97Å; T96-G99 VanDerWaalsContact OG1-N 3.12Å; T96-I100 PolarHBondContact O-N 2.98Å; T96-Y147 HydrophobicContact CG2-CD1 3.88Å; T96-Y147 HydrophobicContact CG2-CE1 3.75Å |
| 97 | L | 97.6 | Very high | 96.5 | Very high | 52 Ų | 52 | 56.7 Ų | 56.7 | 27% | 0.272 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -51.5 | -38.1 | 173.2 | 178.1 | 62.4 | 0 | 0 | 0 | 112.6 | Y101 I122 R123 L126 | L97-Y101 HydrophobicContact CD1-CD1 4.45Å; L97-Y101 HydrophobicContact CD1-CE1 3.62Å; L97-Y101 HydrophobicContact CG-CE1 4.07Å; L97-Y101 HydrophobicContact CG-CE2 4.13Å; L97-Y101 WeakPolarHBondContact O-CD1 3.32Å; L97-Y101 PolarHBondContact O-N 3.09Å; L97-I122 HydrophobicContact CD1-CG2 4.18Å; L97-R123 HydrophobicContact CD1-CG 4.04Å; L97-R123 HydrophobicContact CD2-CG 4.05Å; L97-L126 HydrophobicContact CD1-CD1 3.57Å |
| 98 | N | 97.6 | Very high | 96.4 | Very high | 94 Ų | 94 | 58 Ų | 58 | 50% | 0.503 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -71 | -34.4 | 177.1 | -164.8 | 54 | 0 | 0 | 0 | 112.8 | T96 Y101 Q102 | T96-N98 PolarHBondContact O-N 3.48Å; T96-N98 VanDerWaalsContact O-N 3.14Å; N98-Y101 PolarHBondContact O-N 3.38Å; N98-Q102 PolarHBondContact ND2-NE2 3.14Å; N98-Q102 WeakPolarHBondContact O-CG 3.42Å; N98-Q102 PolarHBondContact O-N 3.07Å; N98-Q102 VanDerWaalsContact O-N 3.08Å |
| 99 | G | 97.4 | Very high | 96.4 | Very high | 20 Ų | 20 | 58.4 Ų | 58.4 | 21% | 0.206 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.5 | -39.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | T96 Y101 Q102 F103 | T96-G99 WeakPolarHBondContact O-CA 3.29Å; T96-G99 PolarHBondContact O-N 2.86Å; T96-G99 PolarHBondContact OG1-N 2.97Å; T96-G99 VanDerWaalsContact OG1-N 3.12Å; G99-Y101 VanDerWaalsContact C-N 3.31Å; G99-Y101 PolarHBondContact O-N 3.1Å; G99-Q102 PolarHBondContact O-N 3.13Å; G99-F103 WeakPolarHBondContact O-CB 3.48Å; G99-F103 PolarHBondContact O-N 3.05Å |
| 100 | I | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 173.3 | -60.7 | 168 | 0 | 0 | 0 | 110.2 | I83 A86 V95 T96 Q102 I104 I122 L126 | I83-I100 HydrophobicContact CG1-CG2 4.14Å; I83-I100 HydrophobicContact CG2-CD1 4.18Å; A86-I100 HydrophobicContact CB-CG1 4.23Å; A86-I100 HydrophobicContact CB-CG2 4.43Å; V95-I100 HydrophobicContact CB-CG1 4.45Å; V95-I100 HydrophobicContact CG1-CD1 3.89Å; V95-I100 HydrophobicContact CG1-CG1 3.46Å; V95-I100 VanDerWaalsContact CG1-CG1 3.46Å; V95-I100 HydrophobicContact CG2-CG1 4.16Å; T96-I100 PolarHBondContact O-N 2.98Å; I100-Q102 PolarHBondContact O-N 3.4Å; I100-I104 HydrophobicContact CG2-CD1 3.7Å; I100-I104 HydrophobicContact CG2-CG1 4.47Å; I100-I104 WeakPolarHBondContact O-CB 3.42Å; I100-I104 VanDerWaalsContact O-CG1 3.26Å; I100-I104 WeakPolarHBondContact O-CG1 3.4Å; I100-I104 PolarHBondContact O-N 3.16Å; I100-I104 VanDerWaalsContact O-N 3.14Å; I100-I122 HydrophobicContact CG2-CD1 4.46Å; I100-I122 HydrophobicContact CG2-CG2 3.87Å; I100-L126 HydrophobicContact CD1-CD1 3.88Å; I100-L126 HydrophobicContact CD1-CD2 3.97Å; I100-L126 HydrophobicContact CD1-CG 4.5Å |
| 101 | Y | 97.8 | Very high | 96.3 | Very high | 22 Ų | 22 | 57.3 Ų | 57.3 | 9% | 0.086 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 177.5 | -59.1 | -20.9 | 0 | 0 | 0 | 112 | L97 N98 G99 M105 W118 Q119 I122 R123 | L97-Y101 HydrophobicContact CD1-CD1 4.45Å; L97-Y101 HydrophobicContact CD1-CE1 3.62Å; L97-Y101 HydrophobicContact CG-CE1 4.07Å; L97-Y101 HydrophobicContact CG-CE2 4.13Å; L97-Y101 WeakPolarHBondContact O-CD1 3.32Å; L97-Y101 PolarHBondContact O-N 3.09Å; N98-Y101 PolarHBondContact O-N 3.38Å; G99-Y101 VanDerWaalsContact C-N 3.31Å; G99-Y101 PolarHBondContact O-N 3.1Å; Y101-M105 WeakPolarHBondContact O-CE 3.3Å; Y101-M105 WeakPolarHBondContact O-CG 3.29Å; Y101-M105 PolarHBondContact O-N 2.98Å; Y101-M105 VanDerWaalsContact O-N 3.15Å; Y101-W118 HydrophobicContact CD1-CH2 4.31Å; Y101-W118 AromaticContact CD1-CZ3 3.93Å; Y101-W118 HydrophobicContact CD1-CZ3 3.93Å; Y101-W118 HydrophobicContact CG-CH2 4.44Å; Y101-Q119 HydrophobicContact CD1-CB 4.33Å; Y101-Q119 HydrophobicContact CD1-CG 3.7Å; Y101-Q119 HydrophobicContact CD2-CG 4.26Å; Y101-Q119 HydrophobicContact CE1-CB 3.73Å; Y101-Q119 HydrophobicContact CE1-CG 3.6Å; Y101-Q119 HydrophobicContact CE2-CB 4.5Å; Y101-Q119 HydrophobicContact CE2-CG 4.18Å; Y101-Q119 HydrophobicContact CG-CG 4.02Å; Y101-I122 HydrophobicContact CD1-CG2 4.39Å; Y101-I122 HydrophobicContact CE1-CB 4.3Å; Y101-I122 HydrophobicContact CE1-CG2 4.03Å; Y101-R123 WeakPolarHBondContact OH-CG 3.4Å; Y101-R123 PolarHBondContact OH-NH1 2.86Å; Y101-R123 VanDerWaalsContact OH-NH1 3.11Å |
| 102 | Q | 97.9 | Very high | 96.3 | Very high | 110 Ų | 110 | 57.7 Ų | 57.7 | 51% | 0.514 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64 | -52.7 | 180 | -71.4 | -178.6 | 51.3 | 0 | 0 | 111.6 | N98 G99 I100 I104 M105 E106 | N98-Q102 PolarHBondContact ND2-NE2 3.14Å; N98-Q102 WeakPolarHBondContact O-CG 3.42Å; N98-Q102 PolarHBondContact O-N 3.07Å; N98-Q102 VanDerWaalsContact O-N 3.08Å; G99-Q102 PolarHBondContact O-N 3.13Å; I100-Q102 PolarHBondContact O-N 3.4Å; Q102-I104 VanDerWaalsContact C-N 3.26Å; Q102-I104 PolarHBondContact O-N 3.29Å; Q102-M105 PolarHBondContact O-N 3.04Å; Q102-E106 WeakPolarHBondContact O-CB 3.49Å; Q102-E106 PolarHBondContact O-N 2.98Å |
| 103 | F | 97.6 | Very high | 96.2 | Very high | 22 Ų | 22 | 58.1 Ų | 58.1 | 10% | 0.096 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -53.2 | -42.2 | 178.8 | 176.9 | -93.6 | 0 | 0 | 0 | 112.6 | M85 A86 N89 G99 R107 | M85-F103 HydrophobicContact CB-CE1 3.79Å; M85-F103 HydrophobicContact CB-CZ 4.02Å; A86-F103 HydrophobicContact CB-CB 4.08Å; A86-F103 HydrophobicContact CB-CD1 3.47Å; A86-F103 VanDerWaalsContact CB-CD1 3.47Å; A86-F103 HydrophobicContact CB-CE1 4.03Å; A86-F103 HydrophobicContact CB-CG 3.83Å; N89-F103 HydrophobicContact CB-CD2 4.34Å; N89-F103 HydrophobicContact CB-CE2 3.54Å; N89-F103 HydrophobicContact CB-CZ 4.05Å; G99-F103 WeakPolarHBondContact O-CB 3.48Å; G99-F103 PolarHBondContact O-N 3.05Å; F103-R107 HydrophobicContact CD2-CG 4.36Å; F103-R107 HydrophobicContact CE1-CG 4.13Å; F103-R107 HydrophobicContact CE2-CG 3.93Å; F103-R107 HydrophobicContact CZ-CG 3.82Å; F103-R107 WeakPolarHBondContact O-CB 3.38Å; F103-R107 PolarHBondContact O-N 2.99Å |
| 104 | I | 97.3 | Very high | 96 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68 | -43.1 | 178.7 | -68.3 | 172.4 | 0 | 0 | 0 | 111.5 | L82 I100 Q102 E106 F108 Y111 W118 I122 | L82-I104 HydrophobicContact CB-CD1 3.86Å; L82-I104 HydrophobicContact CB-CG1 4.21Å; I100-I104 HydrophobicContact CG2-CD1 3.7Å; I100-I104 HydrophobicContact CG2-CG1 4.47Å; I100-I104 WeakPolarHBondContact O-CB 3.42Å; I100-I104 VanDerWaalsContact O-CG1 3.26Å; I100-I104 WeakPolarHBondContact O-CG1 3.4Å; I100-I104 PolarHBondContact O-N 3.16Å; I100-I104 VanDerWaalsContact O-N 3.14Å; Q102-I104 VanDerWaalsContact C-N 3.26Å; Q102-I104 PolarHBondContact O-N 3.29Å; I104-E106 VanDerWaalsContact C-N 3.31Å; I104-E106 PolarHBondContact O-N 3.5Å; I104-F108 WeakPolarHBondContact O-CB 3.27Å; I104-F108 PolarHBondContact O-N 2.83Å; I104-Y111 HydrophobicContact CG2-CD2 3.49Å; I104-Y111 VanDerWaalsContact CG2-CD2 3.49Å; I104-Y111 HydrophobicContact CG2-CE2 4.27Å; I104-Y111 HydrophobicContact CG2-CG 3.65Å; I104-W118 HydrophobicContact CB-CZ3 4.43Å; I104-W118 HydrophobicContact CD1-CZ3 4.42Å; I104-W118 HydrophobicContact CG2-CH2 4.44Å; I104-W118 HydrophobicContact CG2-CZ3 4.23Å; I104-I122 HydrophobicContact CD1-CD1 3.59Å; I104-I122 HydrophobicContact CD1-CG1 4.21Å |
| 105 | M | 96.1 | Very high | 95.9 | Very high | 39 Ų | 39 | 61 Ų | 61 | 19% | 0.192 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.8 | -28.2 | 178 | -68.9 | -175.6 | -61.3 | 0 | 0 | 113.3 | Y101 Q102 R112 K115 W118 | Y101-M105 WeakPolarHBondContact O-CE 3.3Å; Y101-M105 WeakPolarHBondContact O-CG 3.29Å; Y101-M105 PolarHBondContact O-N 2.98Å; Y101-M105 VanDerWaalsContact O-N 3.15Å; Q102-M105 PolarHBondContact O-N 3.04Å; M105-R112 HydrophobicContact CB-CG 4.25Å; M105-R112 PolarHBondContact O-NE 3.21Å; M105-R112 PolarHBondContact O-NH2 3.19Å; M105-K115 HydrophobicContact SD-CD 4.08Å; M105-K115 PolarHBondContact SD-NZ 3.11Å; M105-W118 HydrophobicContact CG-CH2 3.89Å; M105-W118 HydrophobicContact CG-CZ2 3.62Å; M105-W118 HydrophobicContact SD-CH2 4.35Å; M105-W118 HydrophobicContact SD-CZ2 3.95Å |
| 106 | E | 96.4 | Very high | 95.7 | Very high | 142 Ų | 142 | 66.8 Ų | 66.8 | 66% | 0.664 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -73.1 | -60.4 | 175.9 | -174.7 | -176.3 | 178.6 | 0 | 0 | 110.7 | Q102 I104 F108 R112 | Q102-E106 WeakPolarHBondContact O-CB 3.49Å; Q102-E106 PolarHBondContact O-N 2.98Å; I104-E106 VanDerWaalsContact C-N 3.31Å; I104-E106 PolarHBondContact O-N 3.5Å; E106-F108 PolarHBondContact O-N 3.45Å; E106-R112 PolarHBondContact O-NH2 3.32Å |
| 107 | R | 95.1 | Very high | 95.7 | Very high | 130 Ų | 130 | 67 Ų | 67 | 49% | 0.491 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.9 | -32.3 | -179.3 | -82.5 | -73.8 | -133.1 | -93.1 | -6.2 | 114.4 | N89 F103 | N89-R107 PolarHBondContact OD1-NH2 3.34Å; F103-R107 HydrophobicContact CD2-CG 4.36Å; F103-R107 HydrophobicContact CE1-CG 4.13Å; F103-R107 HydrophobicContact CE2-CG 3.93Å; F103-R107 HydrophobicContact CZ-CG 3.82Å; F103-R107 WeakPolarHBondContact O-CB 3.38Å; F103-R107 PolarHBondContact O-N 2.99Å |
| 108 | F | 94.4 | Very high | 95.6 | Very high | 30 Ų | 30 | 65.2 Ų | 65.2 | 13% | 0.132 | 32% | 0.319 | C | S | . | . | trans | -134.7 | 91.1 | -167.9 | -58.2 | -64.1 | 0 | 0 | 0 | 111.1 | P75 Y77 L82 M85 I104 E106 F110 Y111 | P75-F108 HydrophobicContact CB-CD1 3.99Å; P75-F108 HydrophobicContact CB-CE1 4.16Å; P75-F108 HydrophobicContact CG-CB 3.91Å; P75-F108 HydrophobicContact CG-CD1 3.44Å; P75-F108 VanDerWaalsContact CG-CD1 3.44Å; P75-F108 HydrophobicContact CG-CE1 4.12Å; P75-F108 HydrophobicContact CG-CG 3.76Å; Y77-F108 AromaticContact CD2-CE1 3.99Å; Y77-F108 HydrophobicContact CD2-CE1 3.99Å; Y77-F108 AromaticContact CD2-CZ 3.73Å; Y77-F108 HydrophobicContact CD2-CZ 3.73Å; Y77-F108 AromaticContact CE2-CE1 3.8Å; Y77-F108 HydrophobicContact CE2-CE1 3.8Å; Y77-F108 AromaticContact CE2-CZ 3.73Å; Y77-F108 HydrophobicContact CE2-CZ 3.73Å; L82-F108 HydrophobicContact CD2-CD2 3.63Å; L82-F108 HydrophobicContact CD2-CE2 3.35Å; L82-F108 HydrophobicContact CD2-CZ 4.15Å; M85-F108 HydrophobicContact CE-CE2 4.16Å; M85-F108 HydrophobicContact CE-CZ 4.06Å; I104-F108 WeakPolarHBondContact O-CB 3.27Å; I104-F108 PolarHBondContact O-N 2.83Å; E106-F108 PolarHBondContact O-N 3.45Å; F108-F110 PolarHBondContact O-N 2.79Å; F108-F110 VanDerWaalsContact O-N 3.08Å; F108-Y111 HydrophobicContact CB-CD2 3.82Å; F108-Y111 HydrophobicContact CB-CE2 4.4Å; F108-Y111 PolarHBondContact O-N 3Å | ||
| 109 | P | 93.8 | Very high | 95.6 | Very high | 39 Ų | 39 | 61.9 Ų | 61.9 | 25% | 0.253 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -52.7 | -33.8 | -175.2 | -30.7 | 37.9 | 0 | 0 | 0 | 114.9 | D71 Y111 R112 | D71-P109 HydrophobicContact CB-CB 4.31Å; D71-P109 HydrophobicContact CB-CG 4.09Å; P109-Y111 PolarHBondContact O-N 2.65Å; P109-R112 VanDerWaalsContact O-CB 3.28Å; P109-R112 WeakPolarHBondContact O-CB 3.15Å; P109-R112 VanDerWaalsContact O-CG 3.3Å; P109-R112 WeakPolarHBondContact O-CG 3.42Å; P109-R112 PolarHBondContact O-N 2.76Å |
| 110 | F | 93.9 | Very high | 95.6 | Very high | 72 Ų | 72 | 65.3 Ų | 65.3 | 32% | 0.316 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -44.2 | -33.8 | 170.1 | 174.7 | -99.8 | 0 | 0 | 0 | 115.4 | D71 M72 K74 F108 | D71-F110 PolarHBondContact O-N 2.96Å; M72-F110 VanDerWaalsContact O-CD2 3.29Å; M72-F110 WeakPolarHBondContact O-CD2 3.42Å; K74-F110 HydrophobicContact CB-CD1 4.05Å; K74-F110 HydrophobicContact CB-CD2 4.29Å; K74-F110 HydrophobicContact CB-CE1 3.7Å; K74-F110 HydrophobicContact CB-CE2 3.94Å; K74-F110 HydrophobicContact CB-CG 4.34Å; K74-F110 HydrophobicContact CB-CZ 3.65Å; K74-F110 HydrophobicContact CD-CE1 3.72Å; K74-F110 HydrophobicContact CD-CZ 3.87Å; K74-F110 HydrophobicContact CG-CD1 4Å; K74-F110 HydrophobicContact CG-CE1 3.5Å; K74-F110 HydrophobicContact CG-CZ 3.87Å; F108-F110 PolarHBondContact O-N 2.79Å; F108-F110 VanDerWaalsContact O-N 3.08Å |
| 111 | Y | 95.7 | Very high | 95.6 | Very high | 4 Ų | 4 | 67 Ų | 67 | 2% | 0.016 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -90.8 | 6.2 | -179.4 | -67.5 | -69.4 | 0 | 0 | 0 | 113.9 | K74 P75 Y79 L82 I104 F108 P109 D113 W118 | K74-Y111 VanDerWaalsContact CE-OH 3.27Å; K74-Y111 WeakPolarHBondContact CE-OH 3.49Å; P75-Y111 HydrophobicContact CG-CE2 4.15Å; Y79-Y111 HydrophobicContact CE1-CE1 4.26Å; L82-Y111 HydrophobicContact CD1-CE2 3.78Å; I104-Y111 HydrophobicContact CG2-CD2 3.49Å; I104-Y111 VanDerWaalsContact CG2-CD2 3.49Å; I104-Y111 HydrophobicContact CG2-CE2 4.27Å; I104-Y111 HydrophobicContact CG2-CG 3.65Å; F108-Y111 HydrophobicContact CB-CD2 3.82Å; F108-Y111 HydrophobicContact CB-CE2 4.4Å; F108-Y111 PolarHBondContact O-N 3Å; P109-Y111 PolarHBondContact O-N 2.65Å; Y111-D113 VanDerWaalsContact C-N 3.29Å; Y111-W118 HydrophobicContact CD1-CB 3.97Å; Y111-W118 AromaticContact CD1-CD1 3.82Å; Y111-W118 HydrophobicContact CD1-CD2 4.03Å; Y111-W118 AromaticContact CD1-CG 3.69Å; Y111-W118 HydrophobicContact CD1-CG 3.69Å; Y111-W118 HydrophobicContact CE1-CB 4.17Å; Y111-W118 HydrophobicContact CE1-CG 4.37Å; Y111-W118 WeakPolarHBondContact O-CZ2 3.31Å; Y111-W118 PolarHBondContact O-NE1 3.43Å |
| 112 | R | 95.1 | Very high | 95.6 | Very high | 122 Ų | 122 | 66 Ų | 66 | 46% | 0.46 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -67.2 | -34.7 | 173.8 | -67.9 | 173.4 | -175.7 | 179.4 | 3.7 | 111 | M105 E106 P109 K115 | M105-R112 HydrophobicContact CB-CG 4.25Å; M105-R112 PolarHBondContact O-NE 3.21Å; M105-R112 PolarHBondContact O-NH2 3.19Å; E106-R112 PolarHBondContact O-NH2 3.32Å; P109-R112 VanDerWaalsContact O-CB 3.28Å; P109-R112 WeakPolarHBondContact O-CB 3.15Å; P109-R112 VanDerWaalsContact O-CG 3.3Å; P109-R112 WeakPolarHBondContact O-CG 3.42Å; P109-R112 PolarHBondContact O-N 2.76Å; R112-K115 WeakPolarHBondContact O-CG 3.48Å; R112-K115 PolarHBondContact O-NZ 3.38Å |
| 113 | D | 91.9 | Very high | 95.6 | Very high | 110 Ų | 110 | 64.7 Ų | 64.7 | 59% | 0.588 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -89.8 | 172.1 | 177.9 | -58.1 | -46.5 | 0 | 0 | 0 | 112.9 | Y111 K115 W118 | Y111-D113 VanDerWaalsContact C-N 3.29Å; D113-K115 PolarHBondContact O-N 3.28Å; D113-K115 VanDerWaalsContact O-N 3.08Å; D113-W118 PolarHBondContact O-NE1 3.28Å; D113-W118 VanDerWaalsContact O-NE1 3.13Å |
| 114 | N | 91.4 | Very high | 95.7 | Very high | 127 Ų | 127 | 68.6 Ų | 68.6 | 68% | 0.679 | 33% | 0.331 | S | S | * | . | trans | 42.4 | 47.4 | 179.5 | -156.1 | -54.6 | 0 | 0 | 0 | 113.6 | Q116 G117 | N114-Q116 PolarHBondContact O-N 3.19Å; N114-Q116 VanDerWaalsContact O-N 3.13Å; N114-G117 PolarHBondContact O-N 3.07Å; N114-G117 PolarHBondContact OD1-N 2.89Å | ||
| 115 | K | 93.1 | Very high | 95.7 | Very high | 96 Ų | 96 | 69.8 Ų | 69.8 | 42% | 0.417 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -51.6 | -42.7 | -171.7 | -60.1 | -168.3 | -162 | -61.9 | 0 | 112.6 | M105 R112 D113 G117 Q119 | M105-K115 HydrophobicContact SD-CD 4.08Å; M105-K115 PolarHBondContact SD-NZ 3.11Å; R112-K115 WeakPolarHBondContact O-CG 3.48Å; R112-K115 PolarHBondContact O-NZ 3.38Å; D113-K115 PolarHBondContact O-N 3.28Å; D113-K115 VanDerWaalsContact O-N 3.08Å; K115-G117 PolarHBondContact O-N 3.44Å; K115-Q119 WeakPolarHBondContact O-CB 3.3Å; K115-Q119 WeakPolarHBondContact O-CG 3.41Å; K115-Q119 PolarHBondContact O-N 3.08Å |
| 116 | Q | 95.1 | Very high | 95.8 | Very high | 138 Ų | 138 | 68.1 Ų | 68.1 | 65% | 0.645 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61 | -44.2 | -175.8 | -62.9 | -62.3 | -8.8 | 0 | 0 | 113.6 | N114 N120 | N114-Q116 PolarHBondContact O-N 3.19Å; N114-Q116 VanDerWaalsContact O-N 3.13Å; Q116-N120 WeakPolarHBondContact O-CB 3.41Å; Q116-N120 PolarHBondContact O-N 2.93Å |
| 117 | G | 95.6 | Very high | 95.8 | Very high | 37 Ų | 37 | 66 Ų | 66 | 38% | 0.381 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.8 | -47.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N114 K115 S121 | N114-G117 PolarHBondContact O-N 3.07Å; N114-G117 PolarHBondContact OD1-N 2.89Å; K115-G117 PolarHBondContact O-N 3.44Å; G117-S121 PolarHBondContact O-N 3.11Å; G117-S121 PolarHBondContact O-OG 3.49Å |
| 118 | W | 96.6 | Very high | 95.8 | Very high | 14 Ų | 14 | 64.5 Ų | 64.5 | 5% | 0.053 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -78.5 | -32.7 | 179.3 | 69 | -103.1 | 0 | 0 | 0 | 112.5 | Y79 Y101 I104 M105 Y111 D113 N120 S121 I122 | Y79-W118 HydrophobicContact CE1-CB 4.35Å; Y101-W118 HydrophobicContact CD1-CH2 4.31Å; Y101-W118 AromaticContact CD1-CZ3 3.93Å; Y101-W118 HydrophobicContact CD1-CZ3 3.93Å; Y101-W118 HydrophobicContact CG-CH2 4.44Å; I104-W118 HydrophobicContact CB-CZ3 4.43Å; I104-W118 HydrophobicContact CD1-CZ3 4.42Å; I104-W118 HydrophobicContact CG2-CH2 4.44Å; I104-W118 HydrophobicContact CG2-CZ3 4.23Å; M105-W118 HydrophobicContact CG-CH2 3.89Å; M105-W118 HydrophobicContact CG-CZ2 3.62Å; M105-W118 HydrophobicContact SD-CH2 4.35Å; M105-W118 HydrophobicContact SD-CZ2 3.95Å; Y111-W118 HydrophobicContact CD1-CB 3.97Å; Y111-W118 AromaticContact CD1-CD1 3.82Å; Y111-W118 HydrophobicContact CD1-CD2 4.03Å; Y111-W118 AromaticContact CD1-CG 3.69Å; Y111-W118 HydrophobicContact CD1-CG 3.69Å; Y111-W118 HydrophobicContact CE1-CB 4.17Å; Y111-W118 HydrophobicContact CE1-CG 4.37Å; Y111-W118 WeakPolarHBondContact O-CZ2 3.31Å; Y111-W118 PolarHBondContact O-NE1 3.43Å; D113-W118 PolarHBondContact O-NE1 3.28Å; D113-W118 VanDerWaalsContact O-NE1 3.13Å; W118-N120 VanDerWaalsContact C-N 3.3Å; W118-N120 PolarHBondContact O-N 2.95Å; W118-S121 CarbonylContact O-C 3.59Å; W118-S121 WeakPolarHBondContact O-CA 3.34Å; W118-S121 VanDerWaalsContact O-CB 3.3Å; W118-S121 WeakPolarHBondContact O-CB 3.44Å; W118-S121 PolarHBondContact O-N 2.95Å; W118-S121 VanDerWaalsContact O-N 3.1Å; W118-I122 HydrophobicContact CE3-CG1 3.93Å; W118-I122 HydrophobicContact CZ3-CG1 4.22Å; W118-I122 WeakPolarHBondContact O-CG1 3.37Å; W118-I122 PolarHBondContact O-N 3.36Å |
| 119 | Q | 97.9 | Very high | 95.8 | Very high | 24 Ų | 24 | 64.4 Ų | 64.4 | 11% | 0.112 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65 | -34.7 | 174.3 | -71.6 | 179.8 | 1.3 | 0 | 0 | 111.9 | Y101 K115 S121 I122 R123 | Y101-Q119 HydrophobicContact CD1-CB 4.33Å; Y101-Q119 HydrophobicContact CD1-CG 3.7Å; Y101-Q119 HydrophobicContact CD2-CG 4.26Å; Y101-Q119 HydrophobicContact CE1-CB 3.73Å; Y101-Q119 HydrophobicContact CE1-CG 3.6Å; Y101-Q119 HydrophobicContact CE2-CB 4.5Å; Y101-Q119 HydrophobicContact CE2-CG 4.18Å; Y101-Q119 HydrophobicContact CG-CG 4.02Å; K115-Q119 WeakPolarHBondContact O-CB 3.3Å; K115-Q119 WeakPolarHBondContact O-CG 3.41Å; K115-Q119 PolarHBondContact O-N 3.08Å; Q119-S121 VanDerWaalsContact C-N 3.33Å; Q119-I122 PolarHBondContact O-N 3.18Å; Q119-R123 WeakPolarHBondContact O-CG 3.37Å; Q119-R123 PolarHBondContact O-N 3.4Å |
| 120 | N | 97.8 | Very high | 95.8 | Very high | 93 Ų | 93 | 71 Ų | 71 | 50% | 0.497 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 170.7 | -156.9 | 45.8 | 0 | 0 | 0 | 111.8 | Q116 W118 I122 R123 H124 | Q116-N120 WeakPolarHBondContact O-CB 3.41Å; Q116-N120 PolarHBondContact O-N 2.93Å; W118-N120 VanDerWaalsContact C-N 3.3Å; W118-N120 PolarHBondContact O-N 2.95Å; N120-I122 VanDerWaalsContact C-N 3.31Å; N120-I122 PolarHBondContact O-N 2.86Å; N120-R123 PolarHBondContact O-N 3.44Å; N120-R123 PolarHBondContact OD1-NH2 3.07Å; N120-H124 WeakPolarHBondContact O-CB 3.22Å; N120-H124 PolarHBondContact O-N 2.8Å |
| 121 | S | 97.7 | Very high | 95.8 | Very high | 35 Ų | 35 | 68.8 Ų | 68.8 | 25% | 0.245 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.4 | -38.5 | 174.2 | -53.2 | 0 | 0 | 0 | 0 | 112.5 | G117 W118 Q119 N125 | G117-S121 PolarHBondContact O-N 3.11Å; G117-S121 PolarHBondContact O-OG 3.49Å; W118-S121 CarbonylContact O-C 3.59Å; W118-S121 WeakPolarHBondContact O-CA 3.34Å; W118-S121 VanDerWaalsContact O-CB 3.3Å; W118-S121 WeakPolarHBondContact O-CB 3.44Å; W118-S121 PolarHBondContact O-N 2.95Å; W118-S121 VanDerWaalsContact O-N 3.1Å; Q119-S121 VanDerWaalsContact C-N 3.33Å; S121-N125 WeakPolarHBondContact O-CB 3.44Å; S121-N125 PolarHBondContact O-N 2.81Å; S121-N125 PolarHBondContact O-ND2 2.95Å |
| 122 | I | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.9 | -50.6 | 174.9 | -68 | -68.4 | 0 | 0 | 0 | 111 | Y79 I83 L97 I100 Y101 I104 W118 Q119 N120 H124 N125 L126 | Y79-I122 HydrophobicContact CD1-CD1 3.89Å; Y79-I122 HydrophobicContact CD1-CG1 4.45Å; Y79-I122 HydrophobicContact CG-CD1 4.48Å; I83-I122 HydrophobicContact CD1-CD1 4.09Å; I83-I122 HydrophobicContact CD1-CG2 4.37Å; I83-I122 HydrophobicContact CG1-CD1 3.83Å; I83-I122 HydrophobicContact CG1-CG2 4.33Å; L97-I122 HydrophobicContact CD1-CG2 4.18Å; I100-I122 HydrophobicContact CG2-CD1 4.46Å; I100-I122 HydrophobicContact CG2-CG2 3.87Å; Y101-I122 HydrophobicContact CD1-CG2 4.39Å; Y101-I122 HydrophobicContact CE1-CB 4.3Å; Y101-I122 HydrophobicContact CE1-CG2 4.03Å; I104-I122 HydrophobicContact CD1-CD1 3.59Å; I104-I122 HydrophobicContact CD1-CG1 4.21Å; W118-I122 HydrophobicContact CE3-CG1 3.93Å; W118-I122 HydrophobicContact CZ3-CG1 4.22Å; W118-I122 WeakPolarHBondContact O-CG1 3.37Å; W118-I122 PolarHBondContact O-N 3.36Å; Q119-I122 PolarHBondContact O-N 3.18Å; N120-I122 VanDerWaalsContact C-N 3.31Å; N120-I122 PolarHBondContact O-N 2.86Å; I122-H124 VanDerWaalsContact C-N 3.28Å; I122-H124 PolarHBondContact O-N 3.41Å; I122-N125 PolarHBondContact O-N 2.97Å; I122-N125 VanDerWaalsContact O-N 3.11Å; I122-L126 HydrophobicContact CG2-CD1 3.97Å; I122-L126 WeakPolarHBondContact O-CG 3.4Å; I122-L126 PolarHBondContact O-N 3.08Å |
| 123 | R | 98.1 | Very high | 95.9 | Very high | 84 Ų | 84 | 66.2 Ų | 66.2 | 32% | 0.317 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -55.2 | -44.5 | 177.4 | -70.3 | -175.5 | -60.5 | -97.6 | 13 | 112 | L97 Y101 Q119 N120 L126 S127 | L97-R123 HydrophobicContact CD1-CG 4.04Å; L97-R123 HydrophobicContact CD2-CG 4.05Å; Y101-R123 WeakPolarHBondContact OH-CG 3.4Å; Y101-R123 PolarHBondContact OH-NH1 2.86Å; Y101-R123 VanDerWaalsContact OH-NH1 3.11Å; Q119-R123 WeakPolarHBondContact O-CG 3.37Å; Q119-R123 PolarHBondContact O-N 3.4Å; N120-R123 PolarHBondContact O-N 3.44Å; N120-R123 PolarHBondContact OD1-NH2 3.07Å; R123-L126 PolarHBondContact O-N 3.27Å; R123-S127 PolarHBondContact O-N 3.02Å; R123-S127 PolarHBondContact O-OG 3.23Å |
| 124 | H | 98.1 | Very high | 96.1 | Very high | 104 Ų | 104 | 67.4 Ų | 67.4 | 48% | 0.481 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65 | -40 | 176.6 | 172.9 | 61.4 | 0 | 0 | 0 | 113.1 | N120 I122 S127 L128 | N120-H124 WeakPolarHBondContact O-CB 3.22Å; N120-H124 PolarHBondContact O-N 2.8Å; I122-H124 VanDerWaalsContact C-N 3.28Å; I122-H124 PolarHBondContact O-N 3.41Å; H124-S127 PolarHBondContact O-N 2.65Å; H124-S127 PolarHBondContact O-OG 3.37Å; H124-L128 WeakPolarHBondContact CE1-CD1 3.48Å; H124-L128 WeakPolarHBondContact O-CB 3.39Å; H124-L128 PolarHBondContact O-N 3.12Å |
| 125 | N | 97.9 | Very high | 96.4 | Very high | 26 Ų | 26 | 63.7 Ų | 63.7 | 14% | 0.139 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -70.3 | -31.4 | 178.3 | -84.6 | -101.8 | 0 | 0 | 0 | 112.7 | I83 S121 I122 S127 N129 | I83-N125 HydrophobicContact CD1-CB 3.86Å; S121-N125 WeakPolarHBondContact O-CB 3.44Å; S121-N125 PolarHBondContact O-N 2.81Å; S121-N125 PolarHBondContact O-ND2 2.95Å; I122-N125 PolarHBondContact O-N 2.97Å; I122-N125 VanDerWaalsContact O-N 3.11Å; N125-S127 VanDerWaalsContact C-N 3.34Å; N125-N129 PolarHBondContact O-N 3.12Å; N125-N129 PolarHBondContact O-ND2 3.29Å; N125-N129 PolarHBondContact OD1-ND2 3.03Å |
| 126 | L | 97.6 | Very high | 96.4 | Very high | 4 Ų | 4 | 63.9 Ų | 63.9 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.9 | -31.5 | 174.2 | -71.7 | 166.5 | 0 | 0 | 0 | 113 | I83 L97 I100 I122 R123 F132 W148 | I83-L126 HydrophobicContact CD1-CD2 4.03Å; I83-L126 HydrophobicContact CD1-CG 3.97Å; I83-L126 HydrophobicContact CG1-CD2 4.4Å; I83-L126 HydrophobicContact CG2-CD2 3.65Å; L97-L126 HydrophobicContact CD1-CD1 3.57Å; I100-L126 HydrophobicContact CD1-CD1 3.88Å; I100-L126 HydrophobicContact CD1-CD2 3.97Å; I100-L126 HydrophobicContact CD1-CG 4.5Å; I122-L126 HydrophobicContact CG2-CD1 3.97Å; I122-L126 WeakPolarHBondContact O-CG 3.4Å; I122-L126 PolarHBondContact O-N 3.08Å; R123-L126 PolarHBondContact O-N 3.27Å; L126-F132 HydrophobicContact CD2-CB 4.03Å; L126-F132 HydrophobicContact CD2-CD2 4.2Å; L126-F132 HydrophobicContact CD2-CG 4.04Å; L126-W148 HydrophobicContact CB-CD2 4.31Å; L126-W148 HydrophobicContact CB-CE3 4.2Å; L126-W148 HydrophobicContact CB-CH2 3.88Å; L126-W148 HydrophobicContact CB-CZ2 4.01Å; L126-W148 HydrophobicContact CB-CZ3 3.98Å; L126-W148 HydrophobicContact CD1-CD2 4.36Å; L126-W148 HydrophobicContact CD1-CG 4.5Å; L126-W148 HydrophobicContact CD2-CB 4.29Å; L126-W148 HydrophobicContact CD2-CD2 3.84Å; L126-W148 HydrophobicContact CD2-CE3 3.95Å; L126-W148 HydrophobicContact CD2-CG 3.99Å; L126-W148 HydrophobicContact CG-CD2 4.4Å; L126-W148 WeakPolarHBondContact O-CZ3 3.37Å |
| 127 | S | 96.7 | Very high | 96.3 | Very high | 96 Ų | 96 | 60.4 Ų | 60.4 | 67% | 0.671 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -95.9 | -14.1 | 177.9 | 60.2 | 0 | 0 | 0 | 0 | 114.9 | R123 H124 N125 | R123-S127 PolarHBondContact O-N 3.02Å; R123-S127 PolarHBondContact O-OG 3.23Å; H124-S127 PolarHBondContact O-N 2.65Å; H124-S127 PolarHBondContact O-OG 3.37Å; N125-S127 VanDerWaalsContact C-N 3.34Å |
| 128 | L | 95.6 | Very high | 96 | Very high | 99 Ų | 99 | 62.6 Ų | 62.6 | 52% | 0.518 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -92.7 | -28.2 | -179.7 | -179.7 | 146.5 | 0 | 0 | 0 | 114 | H124 | H124-L128 WeakPolarHBondContact CE1-CD1 3.48Å; H124-L128 WeakPolarHBondContact O-CB 3.39Å; H124-L128 PolarHBondContact O-N 3.12Å |
| 129 | N | 94.3 | Very high | 95.5 | Very high | 29 Ų | 29 | 69.3 Ų | 69.3 | 16% | 0.155 | 36% | 0.363 | C | S | . | . | trans | -108.9 | 120.8 | -174 | -55.6 | -90.3 | 0 | 0 | 0 | 110.5 | I80 N125 C131 F132 | I80-N129 VanDerWaalsContact CD1-OD1 3.29Å; I80-N129 WeakPolarHBondContact CD1-OD1 3.3Å; N125-N129 PolarHBondContact O-N 3.12Å; N125-N129 PolarHBondContact O-ND2 3.29Å; N125-N129 PolarHBondContact OD1-ND2 3.03Å; N129-C131 PolarHBondContact O-N 3.29Å; N129-F132 HydrophobicContact CB-CD2 4.21Å; N129-F132 HydrophobicContact CB-CE2 4.41Å; N129-F132 PolarHBondContact O-N 3.1Å; N129-F132 VanDerWaalsContact O-N 3.1Å | ||
| 130 | E | 93.2 | Very high | 94.9 | Very high | 178 Ų | 178 | 76.8 Ų | 76.8 | 83% | 0.832 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -25.1 | -179.5 | -65.4 | 164 | 148.3 | 0 | 0 | 113.1 | F132 | E130-F132 PolarHBondContact O-N 3.32Š|
| 131 | C | 93.8 | Very high | 94.2 | Very high | 25 Ų | 25 | 79.7 Ų | 79.7 | 17% | 0.169 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -17.2 | 174.3 | -46.6 | 0 | 0 | 0 | 0 | 114.6 | N129 L150 D151 | N129-C131 PolarHBondContact O-N 3.29Å; C131-L150 HydrophobicContact CB-CD1 4.39Å; C131-L150 WeakPolarHBondContact O-CA 3.46Å; C131-D151 PolarHBondContact O-N 3.31Å |
| 132 | F | 96.5 | Very high | 93.4 | Very high | 9 Ų | 9 | 84.1 Ų | 84.1 | 4% | 0.039 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 102.5 | -178.2 | -58 | -49.7 | 0 | 0 | 0 | 111.6 | I80 I83 I87 L126 N129 E130 W148 T149 L150 | I80-F132 HydrophobicContact CB-CE2 4.35Å; I80-F132 HydrophobicContact CB-CZ 4.32Å; I80-F132 HydrophobicContact CG1-CE2 4.43Å; I80-F132 HydrophobicContact CG2-CE2 3.96Å; I80-F132 HydrophobicContact CG2-CZ 3.67Å; I83-F132 HydrophobicContact CB-CE1 4.01Å; I83-F132 HydrophobicContact CB-CE2 4.11Å; I83-F132 HydrophobicContact CB-CZ 3.66Å; I83-F132 HydrophobicContact CD1-CD2 4.39Å; I83-F132 HydrophobicContact CD1-CE2 3.89Å; I83-F132 HydrophobicContact CD1-CZ 4.32Å; I83-F132 HydrophobicContact CG2-CD1 3.71Å; I83-F132 HydrophobicContact CG2-CD2 4.26Å; I83-F132 HydrophobicContact CG2-CE1 3.38Å; I83-F132 HydrophobicContact CG2-CE2 3.95Å; I83-F132 HydrophobicContact CG2-CG 4.15Å; I83-F132 HydrophobicContact CG2-CZ 3.51Å; I87-F132 HydrophobicContact CD1-CD1 3.69Å; I87-F132 HydrophobicContact CD1-CE1 3.84Å; L126-F132 HydrophobicContact CD2-CB 4.03Å; L126-F132 HydrophobicContact CD2-CD2 4.2Å; L126-F132 HydrophobicContact CD2-CG 4.04Å; N129-F132 HydrophobicContact CB-CD2 4.21Å; N129-F132 HydrophobicContact CB-CE2 4.41Å; N129-F132 PolarHBondContact O-N 3.1Å; N129-F132 VanDerWaalsContact O-N 3.1Å; E130-F132 PolarHBondContact O-N 3.32Å; F132-W148 HydrophobicContact CB-CE3 4.13Å; F132-W148 HydrophobicContact CB-CZ3 4.45Å; F132-W148 WeakPolarHBondContact O-CZ3 3.45Å; F132-T149 WeakPolarHBondContact CA-O 3.44Å; F132-L150 HydrophobicContact CD1-CD1 4.24Å; F132-L150 HydrophobicContact CE1-CD1 3.92Å |
| 133 | V | 96.8 | Very high | 92.9 | Very high | 63 Ų | 63 | 86 Ų | 86 | 38% | 0.382 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 131.2 | -178.4 | -176.2 | 0 | 0 | 0 | 0 | 110.1 | V135 W148 T149 D151 | V133-V135 HydrophobicContact CG1-CG2 4.43Å; V133-V135 PolarHBondContact O-N 3.4Å; V133-W148 WeakPolarHBondContact O-CA 3.38Å; V133-T149 PolarHBondContact N-O 3Å; V133-T149 PolarHBondContact O-N 2.82Å; V133-T149 PolarHBondContact O-OG1 2.95Å; V133-D151 HydrophobicContact CG2-CB 3.96Å |
| 134 | K | 97.3 | Very high | 92.6 | Very high | 135 Ų | 135 | 91.6 Ų | 91.6 | 59% | 0.587 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 106.3 | 176.4 | -177.6 | -169.4 | 170 | -166.7 | 0 | 109.9 | S146 W148 | K134-S146 WeakPolarHBondContact CE-OG 3.26Å; K134-W148 HydrophobicContact CB-CE3 4.06Å; K134-W148 HydrophobicContact CB-CH2 3.89Å; K134-W148 HydrophobicContact CB-CZ2 4.32Å; K134-W148 HydrophobicContact CB-CZ3 3.74Å; K134-W148 HydrophobicContact CG-CH2 4.28Å; K134-W148 HydrophobicContact CG-CZ2 4.26Å |
| 135 | V | 96 | Very high | 92.3 | Very high | 48 Ų | 48 | 89.1 Ų | 89.1 | 29% | 0.291 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 130 | -178.7 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | V133 S146 Y147 T149 | V133-V135 HydrophobicContact CG1-CG2 4.43Å; V133-V135 PolarHBondContact O-N 3.4Å; V135-S146 WeakPolarHBondContact O-CB 3.44Å; V135-Y147 PolarHBondContact N-O 2.9Å; V135-Y147 PolarHBondContact O-N 3.3Å; V135-T149 HydrophobicContact CG2-CG2 3.78Å; V135-T149 VanDerWaalsContact CG2-OG1 3.31Å; V135-T149 WeakPolarHBondContact CG2-OG1 3.27Å |
| 136 | P | 94.7 | Very high | 92.2 | Very high | 100 Ų | 100 | 89.4 Ų | 89.4 | 65% | 0.649 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 164.6 | 174.3 | 26.9 | -34.4 | 0 | 0 | 0 | 111.8 | ||
| 137 | R | 92 | Very high | 92.2 | Very high | 65 Ų | 65 | 92.2 Ų | 92.2 | 25% | 0.245 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -85.8 | 157.4 | 168 | -71.6 | -170.4 | 178.6 | -113.7 | 6.6 | 109.7 | G143 K144 G145 Y147 | R137-G143 VanDerWaalsContact CD-O 3.31Å; R137-G143 WeakPolarHBondContact CD-O 3.45Å; R137-G143 PolarHBondContact NE-O 3.03Å; R137-K144 PolarHBondContact NH2-O 3.04Å; R137-G145 WeakPolarHBondContact CD-O 3.3Å; R137-G145 PolarHBondContact NE-O 3.12Å; R137-Y147 HydrophobicContact CG-CD2 4.03Å; R137-Y147 HydrophobicContact CG-CE2 3.87Å |
| 138 | D | 89.5 | Confident | 92.2 | Very high | 84 Ų | 84 | 89.5 Ų | 89.5 | 45% | 0.449 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 123.3 | 160.1 | 174.4 | 8.5 | 0 | 0 | 0 | 108.8 | K140 K141 | D138-K140 PolarHBondContact O-N 2.93Å; D138-K140 VanDerWaalsContact O-N 3.14Å; D138-K140 WeakPolarHBondContact OD1-CB 3.47Å; D138-K140 VanDerWaalsContact OD1-CG 3.29Å; D138-K140 WeakPolarHBondContact OD1-CG 3.42Å; D138-K140 PolarHBondContact OD1-N 2.88Å; D138-K141 PolarHBondContact O-N 3.14Å |
| 139 | D | 85.3 | Confident | 92.3 | Very high | 155 Ų | 155 | 86.2 Ų | 86.2 | 83% | 0.829 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -24 | -178.7 | -59 | -59.5 | 0 | 0 | 0 | 112.6 | K141 | D139-K141 PolarHBondContact O-N 3.21Å; D139-K141 VanDerWaalsContact O-N 3.16Å |
| 140 | K | 87.1 | Confident | 92.4 | Very high | 180 Ų | 180 | 85.5 Ų | 85.5 | 78% | 0.783 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -12.3 | 174.4 | -59.2 | 169.4 | -175.5 | 174.5 | 0 | 113.4 | D138 | D138-K140 PolarHBondContact O-N 2.93Å; D138-K140 VanDerWaalsContact O-N 3.14Å; D138-K140 WeakPolarHBondContact OD1-CB 3.47Å; D138-K140 VanDerWaalsContact OD1-CG 3.29Å; D138-K140 WeakPolarHBondContact OD1-CG 3.42Å; D138-K140 PolarHBondContact OD1-N 2.88Å |
| 141 | K | 82.4 | Confident | 92.4 | Very high | 154 Ų | 154 | 79.3 Ų | 79.3 | 67% | 0.67 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -127.8 | 74.4 | -179.8 | -69.5 | -176.1 | 179.3 | 176.3 | 0 | 110.5 | D138 D139 G143 | D138-K141 PolarHBondContact O-N 3.14Å; D139-K141 PolarHBondContact O-N 3.21Å; D139-K141 VanDerWaalsContact O-N 3.16Å; K141-G143 PolarHBondContact O-N 3.11Å |
| 142 | P | 80.8 | Confident | 92.3 | Very high | 129 Ų | 129 | 82.7 Ų | 82.7 | 84% | 0.838 | 45% | 0.445 | S | S | * | . | trans | -54.7 | 122.8 | -179.5 | 22.2 | -33.9 | 0 | 0 | 0 | 110.8 | ||||
| 143 | G | 88 | Confident | 91.9 | Very high | 40 Ų | 40 | 88.9 Ų | 88.9 | 41% | 0.412 | 48% | 0.478 | S | S | . | . | trans | -164.4 | 150.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R137 K141 G145 | R137-G143 VanDerWaalsContact CD-O 3.31Å; R137-G143 WeakPolarHBondContact CD-O 3.45Å; R137-G143 PolarHBondContact NE-O 3.03Å; K141-G143 PolarHBondContact O-N 3.11Å; G143-G145 PolarHBondContact O-N 2.89Å | ||
| 144 | K | 90.2 | Very high | 91.4 | Very high | 200 Ų | 200 | 85.9 Ų | 85.9 | 87% | 0.87 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -70.1 | 124.8 | -171.2 | -169.3 | 169.2 | -175.8 | 169.9 | 0 | 112.4 | R137 | R137-K144 PolarHBondContact NH2-O 3.04Š|
| 145 | G | 93 | Very high | 90.8 | Very high | 53 Ų | 53 | 83.1 Ų | 83.1 | 55% | 0.546 | 45% | 0.447 | S | S | . | . | S | Bend | trans | 69.8 | 167.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | R137 G143 | R137-G145 WeakPolarHBondContact CD-O 3.3Å; R137-G145 PolarHBondContact NE-O 3.12Å; G143-G145 PolarHBondContact O-N 2.89Å |
| 146 | S | 95.9 | Very high | 90.1 | Very high | 31 Ų | 31 | 86 Ų | 86 | 22% | 0.217 | 46% | 0.46 | C | S | . | . | trans | -76.2 | 163.3 | 178.2 | -57.5 | 0 | 0 | 0 | 0 | 113.2 | K134 V135 | K134-S146 WeakPolarHBondContact CE-OG 3.26Å; V135-S146 WeakPolarHBondContact O-CB 3.44Å | ||
| 147 | Y | 96.9 | Very high | 89.3 | Confident | 64 Ų | 64 | 86.5 Ų | 86.5 | 25% | 0.251 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 156.9 | 161 | -71.2 | -75 | 0 | 0 | 0 | 110.3 | K94 T96 V135 R137 | K94-Y147 HydrophobicContact CB-CD1 4.4Å; K94-Y147 HydrophobicContact CD-CD1 4.28Å; K94-Y147 HydrophobicContact CD-CG 4.21Å; K94-Y147 HydrophobicContact CG-CD1 3.79Å; K94-Y147 HydrophobicContact CG-CE1 4.26Å; K94-Y147 HydrophobicContact CG-CG 4.12Å; T96-Y147 HydrophobicContact CG2-CD1 3.88Å; T96-Y147 HydrophobicContact CG2-CE1 3.75Å; V135-Y147 PolarHBondContact N-O 2.9Å; V135-Y147 PolarHBondContact O-N 3.3Å; R137-Y147 HydrophobicContact CG-CD2 4.03Å; R137-Y147 HydrophobicContact CG-CE2 3.87Å |
| 148 | W | 97.9 | Very high | 88.4 | Confident | 38 Ų | 38 | 84.4 Ų | 84.4 | 14% | 0.144 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 128.2 | 170.4 | -66.7 | 92 | 0 | 0 | 0 | 108.7 | K94 V95 L126 F132 V133 K134 | K94-W148 WeakPolarHBondContact CA-O 3.03Å; V95-W148 PolarHBondContact N-O 3Å; V95-W148 PolarHBondContact O-N 2.97Å; L126-W148 HydrophobicContact CB-CD2 4.31Å; L126-W148 HydrophobicContact CB-CE3 4.2Å; L126-W148 HydrophobicContact CB-CH2 3.88Å; L126-W148 HydrophobicContact CB-CZ2 4.01Å; L126-W148 HydrophobicContact CB-CZ3 3.98Å; L126-W148 HydrophobicContact CD1-CD2 4.36Å; L126-W148 HydrophobicContact CD1-CG 4.5Å; L126-W148 HydrophobicContact CD2-CB 4.29Å; L126-W148 HydrophobicContact CD2-CD2 3.84Å; L126-W148 HydrophobicContact CD2-CE3 3.95Å; L126-W148 HydrophobicContact CD2-CG 3.99Å; L126-W148 HydrophobicContact CG-CD2 4.4Å; L126-W148 WeakPolarHBondContact O-CZ3 3.37Å; F132-W148 HydrophobicContact CB-CE3 4.13Å; F132-W148 HydrophobicContact CB-CZ3 4.45Å; F132-W148 WeakPolarHBondContact O-CZ3 3.45Å; V133-W148 WeakPolarHBondContact O-CA 3.38Å; K134-W148 HydrophobicContact CB-CE3 4.06Å; K134-W148 HydrophobicContact CB-CH2 3.89Å; K134-W148 HydrophobicContact CB-CZ2 4.32Å; K134-W148 HydrophobicContact CB-CZ3 3.74Å; K134-W148 HydrophobicContact CG-CH2 4.28Å; K134-W148 HydrophobicContact CG-CZ2 4.26Å |
| 149 | T | 97 | Very high | 87.5 | Confident | 31 Ų | 31 | 85.9 Ų | 85.9 | 19% | 0.19 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 163.3 | 174.8 | 49.4 | 0 | 0 | 0 | 0 | 110.2 | K94 F132 V133 V135 | K94-T149 HydrophobicContact CB-CG2 3.49Å; K94-T149 VanDerWaalsContact CB-CG2 3.49Å; F132-T149 WeakPolarHBondContact CA-O 3.44Å; V133-T149 PolarHBondContact N-O 3Å; V133-T149 PolarHBondContact O-N 2.82Å; V133-T149 PolarHBondContact O-OG1 2.95Å; V135-T149 HydrophobicContact CG2-CG2 3.78Å; V135-T149 VanDerWaalsContact CG2-OG1 3.31Å; V135-T149 WeakPolarHBondContact CG2-OG1 3.27Å |
| 150 | L | 95.8 | Very high | 86.7 | Confident | 14 Ų | 14 | 85.3 Ų | 85.3 | 7% | 0.073 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 135.6 | 164.6 | -165.8 | 68 | 0 | 0 | 0 | 108 | T84 I87 C131 F132 S154 Y155 F158 | T84-L150 HydrophobicContact CG2-CD1 4.08Å; T84-L150 HydrophobicContact CG2-CD2 3.89Å; I87-L150 HydrophobicContact CD1-CB 4.47Å; I87-L150 HydrophobicContact CG2-CB 4.11Å; C131-L150 HydrophobicContact CB-CD1 4.39Å; C131-L150 WeakPolarHBondContact O-CA 3.46Å; F132-L150 HydrophobicContact CD1-CD1 4.24Å; F132-L150 HydrophobicContact CE1-CD1 3.92Å; L150-S154 WeakPolarHBondContact CD1-OG 3.12Å; L150-S154 WeakPolarHBondContact CG-OG 3.07Å; L150-Y155 HydrophobicContact CD2-CD2 3.76Å; L150-Y155 HydrophobicContact CD2-CE2 4.41Å; L150-Y155 HydrophobicContact CD2-CG 4.25Å; L150-F158 HydrophobicContact CD1-CD2 4.32Å; L150-F158 HydrophobicContact CD1-CE2 4.25Å; L150-F158 HydrophobicContact CD2-CD2 4.32Å |
| 151 | D | 94.5 | Very high | 85.7 | Confident | 47 Ų | 47 | 79 Ų | 79 | 25% | 0.251 | 44% | 0.435 | S | S | . | . | trans | -62.5 | 128.6 | 171.2 | 172.8 | 21.7 | 0 | 0 | 0 | 110 | C131 V133 D153 S154 Y155 | C131-D151 PolarHBondContact O-N 3.31Å; V133-D151 HydrophobicContact CG2-CB 3.96Å; D151-D153 VanDerWaalsContact C-N 3.29Å; D151-D153 PolarHBondContact O-N 3.44Å; D151-D153 PolarHBondContact OD1-N 2.7Å; D151-S154 WeakPolarHBondContact O-CA 3.47Å; D151-S154 WeakPolarHBondContact O-CB 3.41Å; D151-S154 PolarHBondContact O-N 3.29Å; D151-S154 PolarHBondContact O-OG 3.31Å; D151-Y155 PolarHBondContact O-N 3.2Å | ||
| 152 | P | 91.5 | Very high | 85.2 | Confident | 97 Ų | 97 | 74.2 Ų | 74.2 | 63% | 0.63 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -48.7 | -43.5 | 178.8 | -31.7 | 37 | 0 | 0 | 0 | 114.7 | S154 Y155 | P152-S154 PolarHBondContact O-N 3.18Å; P152-Y155 VanDerWaalsContact O-CB 3.29Å; P152-Y155 WeakPolarHBondContact O-CB 3.26Å; P152-Y155 PolarHBondContact O-N 2.91Å; P152-Y155 VanDerWaalsContact O-N 3.1Å |
| 153 | D | 87.5 | Confident | 84.9 | Confident | 138 Ų | 138 | 70.1 Ų | 70.1 | 74% | 0.738 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -63.4 | -28 | 179.1 | -78.8 | 0.1 | 0 | 0 | 0 | 111.9 | D151 | D151-D153 VanDerWaalsContact C-N 3.29Å; D151-D153 PolarHBondContact O-N 3.44Å; D151-D153 PolarHBondContact OD1-N 2.7Å |
| 154 | S | 85.4 | Confident | 84.1 | Confident | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.007 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -85.4 | -11.4 | 178.7 | 82 | 0 | 0 | 0 | 0 | 114.6 | L150 D151 P152 N156 M157 F158 | L150-S154 WeakPolarHBondContact CD1-OG 3.12Å; L150-S154 WeakPolarHBondContact CG-OG 3.07Å; D151-S154 WeakPolarHBondContact O-CA 3.47Å; D151-S154 WeakPolarHBondContact O-CB 3.41Å; D151-S154 PolarHBondContact O-N 3.29Å; D151-S154 PolarHBondContact O-OG 3.31Å; P152-S154 PolarHBondContact O-N 3.18Å; S154-N156 PolarHBondContact O-N 3.5Å; S154-M157 WeakPolarHBondContact O-CB 3.48Å; S154-M157 PolarHBondContact O-N 2.97Å; S154-M157 VanDerWaalsContact O-N 3.13Å; S154-F158 WeakPolarHBondContact O-CD2 3.27Å |
| 155 | Y | 84.9 | Confident | 82.7 | Confident | 76 Ų | 76 | 73.5 Ų | 73.5 | 30% | 0.298 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.4 | -46.9 | -174.3 | -158.4 | -85.3 | 0 | 0 | 0 | 112.3 | L150 D151 P152 M157 F158 E159 | L150-Y155 HydrophobicContact CD2-CD2 3.76Å; L150-Y155 HydrophobicContact CD2-CE2 4.41Å; L150-Y155 HydrophobicContact CD2-CG 4.25Å; D151-Y155 PolarHBondContact O-N 3.2Å; P152-Y155 VanDerWaalsContact O-CB 3.29Å; P152-Y155 WeakPolarHBondContact O-CB 3.26Å; P152-Y155 PolarHBondContact O-N 2.91Å; P152-Y155 VanDerWaalsContact O-N 3.1Å; Y155-M157 PolarHBondContact O-N 2.79Å; Y155-F158 PolarHBondContact O-N 3.36Å; Y155-F158 VanDerWaalsContact O-N 3.1Å; Y155-E159 WeakPolarHBondContact CE1-OE1 3.31Å; Y155-E159 PolarHBondContact O-N 3.36Å |
| 156 | N | 82.8 | Confident | 81.3 | Confident | 108 Ų | 108 | 78.5 Ų | 78.5 | 58% | 0.578 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -56.4 | -24.7 | 178 | -65.6 | -67.9 | 0 | 0 | 0 | 114.1 | S154 F158 | S154-N156 PolarHBondContact O-N 3.5Å; N156-F158 VanDerWaalsContact C-N 3.26Å; N156-F158 PolarHBondContact O-N 2.8Å |
| 157 | M | 76.6 | Confident | 79.5 | Confident | 111 Ų | 111 | 89.2 Ų | 89.2 | 55% | 0.547 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -73.3 | -16.1 | -179.5 | -68.6 | -165.8 | -88.2 | 0 | 0 | 113.7 | S154 Y155 | S154-M157 WeakPolarHBondContact O-CB 3.48Å; S154-M157 PolarHBondContact O-N 2.97Å; S154-M157 VanDerWaalsContact O-N 3.13Å; Y155-M157 PolarHBondContact O-N 2.79Å |
| 158 | F | 73.3 | Confident | 77.5 | Confident | 22 Ų | 22 | 96.4 Ų | 96.4 | 10% | 0.096 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -122.4 | -16.7 | -174.8 | -58.2 | -79.1 | 0 | 0 | 0 | 114 | I80 T84 L150 S154 Y155 N156 G161 F163 | I80-F158 HydrophobicContact CG2-CE1 4.09Å; I80-F158 HydrophobicContact CG2-CZ 3.68Å; T84-F158 HydrophobicContact CG2-CB 3.73Å; T84-F158 HydrophobicContact CG2-CD1 4.11Å; T84-F158 HydrophobicContact CG2-CD2 3.85Å; T84-F158 HydrophobicContact CG2-CE2 4.49Å; T84-F158 HydrophobicContact CG2-CG 3.63Å; L150-F158 HydrophobicContact CD1-CD2 4.32Å; L150-F158 HydrophobicContact CD1-CE2 4.25Å; L150-F158 HydrophobicContact CD2-CD2 4.32Å; S154-F158 WeakPolarHBondContact O-CD2 3.27Å; Y155-F158 PolarHBondContact O-N 3.36Å; Y155-F158 VanDerWaalsContact O-N 3.1Å; N156-F158 VanDerWaalsContact C-N 3.26Å; N156-F158 PolarHBondContact O-N 2.8Å; F158-G161 PolarHBondContact O-N 2.78Å; F158-F163 HydrophobicContact CB-CE1 4.06Å; F158-F163 HydrophobicContact CD1-CD1 4.44Å; F158-F163 VanDerWaalsContact O-CZ 3.3Å; F158-F163 WeakPolarHBondContact O-CZ 3.15Å |
| 159 | E | 70.6 | Confident | 75.7 | Confident | 114 Ų | 114 | 105.3 Ų | 105.3 | 53% | 0.533 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | -179.9 | -171.9 | 153.4 | -133.4 | 0 | 0 | 112.8 | Y155 G161 | Y155-E159 WeakPolarHBondContact CE1-OE1 3.31Å; Y155-E159 PolarHBondContact O-N 3.36Å; E159-G161 PolarHBondContact O-N 3.09Å |
| 160 | N | 68.1 | Low | 73.5 | Confident | 143 Ų | 143 | 110.5 Ų | 110.5 | 77% | 0.765 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | 33.5 | 178.3 | -65.9 | -52.8 | 0 | 0 | 0 | 114.1 | S162 | N160-S162 PolarHBondContact O-N 3.5Å; N160-S162 VanDerWaalsContact O-N 3.07Å |
| 161 | G | 66 | Low | 71.8 | Confident | 47 Ų | 47 | 117 Ų | 117 | 49% | 0.485 | 54% | 0.539 | S | S | . | . | S | Bend | trans | 68.8 | 5.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | F158 E159 F163 | F158-G161 PolarHBondContact O-N 2.78Å; E159-G161 PolarHBondContact O-N 3.09Å; G161-F163 WeakPolarHBondContact O-CD2 3.39Å; G161-F163 PolarHBondContact O-N 2.98Å |
| 162 | S | 72.7 | Confident | 69.8 | Low | 55 Ų | 55 | 123.9 Ų | 123.9 | 39% | 0.385 | 57% | 0.567 | S | S | . | * | trans | -75.3 | 43.4 | -173.7 | -177.2 | 0 | 0 | 0 | 0 | 114.5 | N160 L164 | N160-S162 PolarHBondContact O-N 3.5Å; N160-S162 VanDerWaalsContact O-N 3.07Å; S162-L164 VanDerWaalsContact C-N 3.28Å; S162-L164 PolarHBondContact O-N 3.41Å | ||
| 163 | F | 73.8 | Confident | 68 | Low | 43 Ų | 43 | 127.7 Ų | 127.7 | 19% | 0.189 | 57% | 0.574 | C | S | . | * | trans | -72 | -19.3 | 176.8 | -57.7 | -72.4 | 0 | 0 | 0 | 113.6 | Y77 A81 T84 M85 Q88 F158 G161 | Y77-F163 HydrophobicContact CD1-CB 3.91Å; Y77-F163 HydrophobicContact CE1-CB 3.88Å; A81-F163 HydrophobicContact CB-CB 4.17Å; A81-F163 HydrophobicContact CB-CD1 4.38Å; A81-F163 VanDerWaalsContact CB-O 3.26Å; A81-F163 WeakPolarHBondContact CB-O 3.34Å; T84-F163 HydrophobicContact CG2-CE1 4.46Å; M85-F163 HydrophobicContact CG-CD1 3.82Å; M85-F163 HydrophobicContact CG-CE1 3.83Å; M85-F163 HydrophobicContact CG-CG 4.41Å; M85-F163 HydrophobicContact CG-CZ 4.41Å; M85-F163 HydrophobicContact SD-CD1 4.45Å; M85-F163 HydrophobicContact SD-CG 4.5Å; Q88-F163 VanDerWaalsContact OE1-CE1 3.31Å; Q88-F163 VanDerWaalsContact OE1-CZ 3.27Å; F158-F163 HydrophobicContact CB-CE1 4.06Å; F158-F163 HydrophobicContact CD1-CD1 4.44Å; F158-F163 VanDerWaalsContact O-CZ 3.3Å; F158-F163 WeakPolarHBondContact O-CZ 3.15Å; G161-F163 WeakPolarHBondContact O-CD2 3.39Å; G161-F163 PolarHBondContact O-N 2.98Å | ||
| 164 | L | 71.1 | Confident | 66.5 | Low | 112 Ų | 112 | 125 Ų | 125 | 59% | 0.586 | 56% | 0.559 | S | S | * | * | B | Isolated β-bridge | trans | -66.9 | 138.5 | -178.3 | -69.2 | 177.7 | 0 | 0 | 0 | 112.4 | P76 Y77 S162 R166 | P76-L164 HydrophobicContact CB-CD2 4.35Å; P76-L164 HydrophobicContact CG-CD2 4.2Å; Y77-L164 HydrophobicContact CE1-CD2 4.2Å; S162-L164 VanDerWaalsContact C-N 3.28Å; S162-L164 PolarHBondContact O-N 3.41Å; L164-R166 PolarHBondContact O-N 3.18Å |
| 165 | R | 62.1 | Low | 65.2 | Low | 198 Ų | 198 | 127.7 Ų | 127.7 | 75% | 0.747 | 58% | 0.581 | S | S | * | * | trans | -63 | 101.8 | 176.8 | 176.6 | -178.5 | 161.6 | -171.9 | -5.7 | 111.2 | R167 | R165-R167 PolarHBondContact O-N 3.32Š| ||
| 166 | R | 63.1 | Low | 64.2 | Low | 159 Ų | 159 | 129.7 Ų | 129.7 | 60% | 0.6 | 60% | 0.597 | S | S | * | * | trans | -51.5 | 118.5 | 174.5 | -162.8 | -178.5 | -72.4 | 141.9 | 1 | 111 | L164 R168 | L164-R166 PolarHBondContact O-N 3.18Å; R166-R168 VanDerWaalsContact C-N 3.29Å; R166-R168 WeakPolarHBondContact CD-O 3.41Å; R166-R168 VanDerWaalsContact CG-O 3.3Å; R166-R168 WeakPolarHBondContact CG-O 3.33Å; R166-R168 PolarHBondContact O-N 3.42Å | ||
| 167 | R | 58.7 | Low | 63.1 | Low | 255 Ų | 255 | 131.3 Ų | 131.3 | 96% | 0.962 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -66.6 | -21.9 | -172 | -85.1 | -179.9 | 167.9 | 154.9 | -4.7 | 114.7 | R165 | R165-R167 PolarHBondContact O-N 3.32Š|
| 168 | R | 54.8 | Low | 62.6 | Low | 215 Ų | 215 | 131.3 Ų | 131.3 | 81% | 0.811 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -117.9 | 135.6 | 164 | -80.3 | -178.6 | 170.1 | 164.5 | -3 | 109.5 | R166 F170 | R166-R168 VanDerWaalsContact C-N 3.29Å; R166-R168 WeakPolarHBondContact CD-O 3.41Å; R166-R168 VanDerWaalsContact CG-O 3.3Å; R166-R168 WeakPolarHBondContact CG-O 3.33Å; R166-R168 PolarHBondContact O-N 3.42Å; R168-F170 PolarHBondContact O-N 3.27Å |
| 169 | R | 59.3 | Low | 62.4 | Low | 225 Ų | 225 | 137 Ų | 137 | 85% | 0.849 | 62% | 0.622 | S | S | * | * | trans | -70.9 | 114 | 156.4 | -80.5 | -175.9 | 174.5 | -101.5 | 6.1 | 106.6 | K171 | R169-K171 PolarHBondContact O-N 3.49Š| ||
| 170 | F | 51.5 | Low | 62.2 | Low | 140 Ų | 140 | 137.4 Ų | 137.4 | 61% | 0.614 | 62% | 0.624 | S | S | * | * | trans | -57.3 | 125 | 164 | -72.1 | -69.3 | 0 | 0 | 0 | 108.3 | R168 | R168-F170 PolarHBondContact O-N 3.27Š| ||
| 171 | K | 60.6 | Low | 62.1 | Low | 150 Ų | 150 | 135.8 Ų | 135.8 | 65% | 0.652 | 61% | 0.612 | S | S | * | * | trans | -83.1 | 143.1 | 165.1 | -65.8 | 179 | 176.5 | 179.5 | 0 | 107.1 | R169 K173 D174 | R169-K171 PolarHBondContact O-N 3.49Å; K171-K173 PolarHBondContact O-N 3.08Å; K171-D174 WeakPolarHBondContact CB-OD2 3.49Å; K171-D174 PolarHBondContact N-OD2 3.34Å; K171-D174 WeakPolarHBondContact O-CB 3.36Å; K171-D174 PolarHBondContact O-N 3.44Å | ||
| 172 | K | 52.2 | Low | 62.3 | Low | 193 Ų | 193 | 141.6 Ų | 141.6 | 84% | 0.839 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -57 | -20.5 | 177.9 | -162.7 | 170.9 | -177.2 | 175.9 | 0 | 112.8 | ||
| 173 | K | 52.2 | Low | 62 | Low | 177 Ų | 177 | 144.3 Ų | 144.3 | 77% | 0.77 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -72.9 | -26.1 | 174.3 | -152.9 | 171.6 | -172.6 | 177.7 | 0 | 114 | K171 | K171-K173 PolarHBondContact O-N 3.08Å |
| 174 | D | 56.7 | Low | 61.6 | Low | 81 Ų | 81 | 149.1 Ų | 149.1 | 43% | 0.433 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -76.7 | -43.8 | -179.9 | -48.1 | -34.5 | 0 | 0 | 0 | 110.4 | K171 L176 K177 E178 | K171-D174 WeakPolarHBondContact CB-OD2 3.49Å; K171-D174 PolarHBondContact N-OD2 3.34Å; K171-D174 WeakPolarHBondContact O-CB 3.36Å; K171-D174 PolarHBondContact O-N 3.44Å; D174-L176 VanDerWaalsContact C-N 3.33Å; D174-L176 PolarHBondContact O-N 3.29Å; D174-K177 PolarHBondContact O-N 3.27Å; D174-K177 VanDerWaalsContact O-N 3.15Å; D174-E178 PolarHBondContact O-N 3.43Å; D174-E178 VanDerWaalsContact O-N 3.07Å |
| 175 | A | 59.4 | Low | 61.3 | Low | 57 Ų | 57 | 150.7 Ų | 150.7 | 47% | 0.471 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -66.6 | -29.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K179 | A175-K179 PolarHBondContact O-N 3.24Å |
| 176 | L | 62.2 | Low | 61.2 | Low | 118 Ų | 118 | 147.7 Ų | 147.7 | 62% | 0.618 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -67.3 | -43.2 | 171.5 | -72.2 | 173.4 | 0 | 0 | 0 | 111.1 | D174 E178 K179 E180 | D174-L176 VanDerWaalsContact C-N 3.33Å; D174-L176 PolarHBondContact O-N 3.29Å; L176-E178 PolarHBondContact O-N 3.14Å; L176-K179 PolarHBondContact O-N 2.93Å; L176-E180 WeakPolarHBondContact O-CB 3.36Å; L176-E180 PolarHBondContact O-N 3.42Å |
| 177 | K | 61.4 | Low | 61 | Low | 143 Ų | 143 | 146.6 Ų | 146.6 | 62% | 0.622 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -65.9 | -36.4 | 179.5 | -166.6 | 176.8 | -178.7 | -177.2 | 0 | 112.5 | D174 E180 E181 | D174-K177 PolarHBondContact O-N 3.27Å; D174-K177 VanDerWaalsContact O-N 3.15Å; K177-E180 PolarHBondContact O-N 2.97Å; K177-E181 WeakPolarHBondContact O-CB 3.29Å; K177-E181 PolarHBondContact O-N 3.06Å |
| 178 | E | 64.6 | Low | 60.8 | Low | 110 Ų | 110 | 139.7 Ų | 139.7 | 51% | 0.514 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -67.3 | -37 | 174 | -168.9 | -178.2 | 159.9 | 0 | 0 | 112.3 | D174 L176 R182 | D174-E178 PolarHBondContact O-N 3.43Å; D174-E178 VanDerWaalsContact O-N 3.07Å; L176-E178 PolarHBondContact O-N 3.14Å; E178-R182 PolarHBondContact O-N 3.3Å |
| 179 | K | 69 | Low | 60.4 | Low | 142 Ų | 142 | 135.3 Ų | 135.3 | 62% | 0.617 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -67.5 | -40.7 | 174.4 | -172.7 | 178.2 | 179.2 | -178.1 | 0 | 111.9 | A175 L176 L183 | A175-K179 PolarHBondContact O-N 3.24Å; L176-K179 PolarHBondContact O-N 2.93Å; K179-L183 HydrophobicContact CG-CD1 4.33Å; K179-L183 WeakPolarHBondContact O-CG 3.41Å; K179-L183 PolarHBondContact O-N 3.49Å |
| 180 | E | 66.6 | Low | 59.6 | Low | 123 Ų | 123 | 135.9 Ų | 135.9 | 58% | 0.575 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -62.8 | -47.8 | 175.7 | -172.9 | 173.3 | -147.6 | 0 | 0 | 111.4 | L176 K177 R182 L183 Q184 | L176-E180 WeakPolarHBondContact O-CB 3.36Å; L176-E180 PolarHBondContact O-N 3.42Å; K177-E180 PolarHBondContact O-N 2.97Å; E180-R182 VanDerWaalsContact C-N 3.32Å; E180-R182 PolarHBondContact O-N 3.13Å; E180-L183 PolarHBondContact O-N 2.97Å; E180-Q184 PolarHBondContact O-N 2.83Å |
| 181 | E | 66.9 | Low | 59.3 | Low | 108 Ų | 108 | 138.1 Ų | 138.1 | 51% | 0.505 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -64.4 | -32.5 | 179.4 | -159.6 | -164.3 | 129.1 | 0 | 0 | 113.2 | K177 K185 | K177-E181 WeakPolarHBondContact O-CB 3.29Å; K177-E181 PolarHBondContact O-N 3.06Å; E181-K185 IonicContact OE1-NZ 2.65Å; E181-K185 PolarHBondContact OE1-NZ 3.15Å |
| 182 | R | 69.3 | Low | 58.3 | Low | 169 Ų | 169 | 140 Ų | 140 | 64% | 0.638 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -65.7 | -50.5 | 172.2 | -77.2 | -177.7 | 178.4 | -108.5 | 3.7 | 111.6 | E178 E180 Q184 K185 | E178-R182 PolarHBondContact O-N 3.3Å; E180-R182 VanDerWaalsContact C-N 3.32Å; E180-R182 PolarHBondContact O-N 3.13Å; R182-Q184 PolarHBondContact O-N 3Å; R182-K185 PolarHBondContact O-N 3.13Å |
| 183 | L | 66.8 | Low | 57.7 | Low | 112 Ų | 112 | 134.4 Ų | 134.4 | 59% | 0.586 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -61 | -30.6 | 179.2 | -69.4 | 167.8 | 0 | 0 | 0 | 112.7 | K179 E180 K185 | K179-L183 HydrophobicContact CG-CD1 4.33Å; K179-L183 WeakPolarHBondContact O-CG 3.41Å; K179-L183 PolarHBondContact O-N 3.49Å; E180-L183 PolarHBondContact O-N 2.97Å; L183-K185 VanDerWaalsContact C-N 3.26Å; L183-K185 PolarHBondContact O-N 3.03Å |
| 184 | Q | 65.2 | Low | 57.2 | Low | 144 Ų | 144 | 136.6 Ų | 136.6 | 67% | 0.673 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -18.5 | 176.4 | -154.6 | 76.3 | 27.8 | 0 | 0 | 113.7 | E180 R182 | E180-Q184 PolarHBondContact O-N 2.83Å; R182-Q184 PolarHBondContact O-N 3Å |
| 185 | K | 64.5 | Low | 56.2 | Low | 146 Ų | 146 | 140.1 Ų | 140.1 | 64% | 0.635 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -14.4 | -173.9 | -85.8 | 169 | 173.6 | 163.1 | 0 | 115 | E181 R182 L183 | E181-K185 IonicContact OE1-NZ 2.65Å; E181-K185 PolarHBondContact OE1-NZ 3.15Å; R182-K185 PolarHBondContact O-N 3.13Å; L183-K185 VanDerWaalsContact C-N 3.26Å; L183-K185 PolarHBondContact O-N 3.03Å |
| 186 | D | 59.5 | Low | 55.4 | Low | 135 Ų | 135 | 145.6 Ų | 145.6 | 72% | 0.722 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -91.4 | 10.1 | -175.5 | -64.3 | -30.1 | 0 | 0 | 0 | 113.8 | ||
| 187 | L | 59.7 | Low | 54 | Low | 135 Ų | 135 | 148.9 Ų | 148.9 | 71% | 0.707 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 124.5 | 177.9 | -71.3 | 172.7 | 0 | 0 | 0 | 112 | ||
| 188 | P | 54.2 | Low | 52.7 | Low | 111 Ų | 111 | 150.7 Ų | 150.7 | 72% | 0.721 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 148.8 | 179.4 | 30.3 | -34.9 | 0 | 0 | 0 | 112.5 | R190 | P188-R190 PolarHBondContact O-N 3.06Š|
| 189 | P | 46.8 | Very low | 51.7 | Low | 122 Ų | 122 | 150.7 Ų | 150.7 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 118.1 | -178.8 | 28.2 | -34.1 | 0 | 0 | 0 | 111.7 | Q191 | P189-Q191 PolarHBondContact O-N 2.88Š|
| 190 | R | 43.5 | Very low | 50 | Low | 237 Ų | 237 | 149.6 Ų | 149.6 | 89% | 0.894 | 74% | 0.744 | S | S | * | * | trans | -70.8 | 109.3 | 174.8 | -175.2 | 176.3 | -177.4 | 171.5 | 1 | 110.2 | P188 Q192 | P188-R190 PolarHBondContact O-N 3.06Å; R190-Q192 PolarHBondContact O-N 3.21Å | ||
| 191 | Q | 44.9 | Very low | 48.4 | Very low | 187 Ų | 187 | 152.8 Ų | 152.8 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | trans | -61.8 | 132.5 | 173.3 | -63 | 179.7 | 4.5 | 0 | 0 | 110.3 | P189 | P189-Q191 PolarHBondContact O-N 2.88Š| ||
| 192 | Q | 39.8 | Very low | 46.6 | Very low | 191 Ų | 191 | 151 Ų | 151 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | -101.7 | 106.8 | 167.4 | -75.9 | -176.7 | -27.9 | 0 | 0 | 108.5 | R190 | R190-Q192 PolarHBondContact O-N 3.21Š| ||
| 193 | G | 38.6 | Very low | 44.8 | Very low | 75 Ų | 75 | 149 Ų | 149 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | -69.4 | 138.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 194 | R | 41.7 | Very low | 43.2 | Very low | 222 Ų | 222 | 152.2 Ų | 152.2 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -71.2 | 150.8 | 153.5 | -72.6 | 178.4 | 170.2 | 177.5 | -4.7 | 107.8 | ||||
| 195 | D | 35.8 | Very low | 42.9 | Very low | 155 Ų | 155 | 150.3 Ų | 150.3 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | -161.1 | 175.5 | 109.8 | -90.6 | -28.4 | 0 | 0 | 0 | 110.3 | |||||
| 196 | Q | 41.4 | Very low | 41.5 | Very low | 173 Ų | 173 | 150.5 Ų | 150.5 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | trans | -99.4 | 177.5 | -172.2 | -60.9 | 170.5 | 71.4 | 0 | 0 | 108.5 | ||||
| 197 | E | 33.6 | Very low | 40.6 | Very low | 186 Ų | 186 | 154.7 Ų | 154.7 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | cis | -148.9 | 176.5 | 27.7 | -64.9 | 173.9 | 95.2 | 0 | 0 | 112.8 | ||||
| 198 | Q | 34.3 | Very low | 39.8 | Very low | 181 Ų | 181 | 155.2 Ų | 155.2 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | -91 | -179.3 | 163.2 | -80.2 | -167.7 | 14.1 | 0 | 0 | 109.3 | ||||
| 199 | P | 44.2 | Very low | 39.2 | Very low | 110 Ų | 110 | 156.7 Ų | 156.7 | 71% | 0.714 | 81% | 0.811 | S | S | * | * | cis | -154.5 | -170.8 | 27.9 | 36.4 | -8.8 | 0 | 0 | 0 | 119.9 | ||||
| 200 | V | 32.6 | Very low | 38.8 | Very low | 120 Ų | 120 | 156.9 Ų | 156.9 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | 79.2 | 102.3 | 158.5 | -161.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 201 | Q | 33.6 | Very low | 38.8 | Very low | 190 Ų | 190 | 151.8 Ų | 151.8 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | 13.2 | 142.3 | 130.9 | -57.6 | 172.5 | -19.2 | 0 | 0 | 122.2 | ||||
| 202 | G | 29.2 | Very low | 38.5 | Very low | 71 Ų | 71 | 151.6 Ų | 151.6 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | trans | -167.7 | 117.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 203 | S | 30.8 | Very low | 38.6 | Very low | 126 Ų | 126 | 148.3 Ų | 148.3 | 88% | 0.881 | 78% | 0.784 | S | S | * | * | trans | 38.5 | 114.7 | 157.4 | 58.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 204 | Q | 34 | Very low | 38.6 | Very low | 180 Ų | 180 | 153.7 Ų | 153.7 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | -86.2 | 178 | 139.1 | -75.5 | -91.8 | -6.9 | 0 | 0 | 109.3 | ||||
| 205 | P | 59 | Low | 38.5 | Very low | 104 Ų | 104 | 150.8 Ų | 150.8 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | cis | -128.4 | 171.7 | -30.3 | 37.3 | -22.7 | 0 | 0 | 0 | 113.1 | ||||
| 206 | V | 34 | Very low | 38.4 | Very low | 150 Ų | 150 | 147.4 Ų | 147.4 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -137.6 | 149.5 | 160.6 | -177.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 207 | R | 41.4 | Very low | 38.2 | Very low | 222 Ų | 222 | 143.8 Ų | 143.8 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | -125.8 | 178.1 | -177.6 | -173.6 | -177.1 | 177.6 | 120 | -1.2 | 108.8 | ||||
| 208 | I | 42.5 | Very low | 38.3 | Very low | 147 Ų | 147 | 142 Ų | 142 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | 97.2 | 135.3 | 172.7 | -57.4 | 161.4 | 0 | 0 | 0 | 111.9 | ||||
| 209 | Q | 41.1 | Very low | 38.6 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | cis | -172.5 | -178.7 | -27.1 | -136.5 | 159.5 | -41.3 | 0 | 0 | 109.2 | ||||
| 210 | D | 38.1 | Very low | 39.5 | Very low | 125 Ų | 125 | 139 Ų | 139 | 67% | 0.668 | 79% | 0.787 | S | S | * | * | trans | 68.7 | 157.5 | 151.5 | -61.9 | -16.7 | 0 | 0 | 0 | 120.1 | ||||
| 211 | I | 43.6 | Very low | 40.2 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 67% | 0.667 | 79% | 0.792 | S | S | * | * | cis | -160.1 | 148.5 | -16.2 | -111.8 | 166.8 | 0 | 0 | 0 | 110.4 | ||||
| 212 | K | 38.5 | Very low | 40.1 | Very low | 184 Ų | 184 | 139.1 Ų | 139.1 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | 50.5 | 140.3 | 162 | -74 | 179.5 | 176.4 | -179.9 | 0 | 120 | ||||
| 213 | T | 42.4 | Very low | 40.2 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | cis | 88.8 | 111.8 | 37.5 | -56.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 214 | E | 38.7 | Very low | 40.2 | Very low | 189 Ų | 189 | 140.8 Ų | 140.8 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -149.3 | 170 | 135.8 | 66.6 | 179.8 | 175.2 | 0 | 0 | 111.4 | ||||
| 215 | N | 38.9 | Very low | 40.4 | Very low | 160 Ų | 160 | 137.2 Ų | 137.2 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | -121.2 | 148.9 | -175.1 | -61.7 | -69.7 | 0 | 0 | 0 | 110.8 | ||||
| 216 | G | 34.7 | Very low | 39.9 | Very low | 85 Ų | 85 | 137.6 Ų | 137.6 | 88% | 0.876 | 78% | 0.782 | S | S | * | * | trans | -155.4 | 117.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 217 | A | 36.2 | Very low | 40 | Very low | 96 Ų | 96 | 135.3 Ų | 135.3 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | trans | -131.2 | 135.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 218 | V | 36.6 | Very low | 39.7 | Very low | 148 Ų | 148 | 131.6 Ų | 131.6 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | trans | -140.7 | 141.9 | 170.9 | -178.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 219 | T | 41.4 | Very low | 39.2 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 76% | 0.761 | 76% | 0.758 | S | S | * | * | trans | -117.7 | -167.1 | -170.7 | -24.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 220 | P | 61.6 | Low | 38.9 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 68% | 0.682 | 75% | 0.748 | S | S | * | * | -95.1 | -167.6 | -127.7 | 43.4 | -31 | 0 | 0 | 0 | 114.2 | |||||
| 221 | P | 47.2 | Very low | 38.9 | Very low | 127 Ų | 127 | 124.3 Ų | 124.3 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | -132.5 | 169.4 | 113 | 39.1 | -32.7 | 0 | 0 | 0 | 115.3 | |||||
| 222 | Q | 32.2 | Very low | 39.1 | Very low | 186 Ų | 186 | 122.7 Ų | 122.7 | 87% | 0.869 | 74% | 0.744 | S | S | * | * | trans | -83.6 | -176.8 | 164.9 | -53.1 | 173.6 | -86.9 | 0 | 0 | 108.9 | ||||
| 223 | A | 31.9 | Very low | 38.8 | Very low | 77 Ų | 77 | 122.1 Ų | 122.1 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | cis | -141.7 | -170 | 5.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 224 | D | 30.1 | Very low | 38.5 | Very low | 154 Ų | 154 | 123.3 Ų | 123.3 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | cis | -156.9 | 174.4 | 41.5 | -93.5 | -50.8 | 0 | 0 | 0 | 113.1 | ||||
| 225 | S | 38 | Very low | 38.3 | Very low | 106 Ų | 106 | 122 Ų | 122 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | trans | -143.6 | 159.9 | 163.2 | -61.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 226 | P | 48.7 | Very low | 38.2 | Very low | 112 Ų | 112 | 119.7 Ų | 119.7 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | -160.2 | 161.2 | 97.6 | 40.3 | -21.2 | 0 | 0 | 0 | 118.2 | |||||
| 227 | S | 35.9 | Very low | 38.9 | Very low | 102 Ų | 102 | 121 Ų | 121 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | trans | 66.9 | 154.1 | 135.7 | 70.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 228 | L | 35.4 | Very low | 38.6 | Very low | 143 Ų | 143 | 124.1 Ų | 124.1 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | cis | -167.2 | 176.9 | -13.8 | -112.8 | 173.5 | 0 | 0 | 0 | 111.6 | ||||
| 229 | N | 32.4 | Very low | 38.4 | Very low | 100 Ų | 100 | 122.7 Ų | 122.7 | 54% | 0.535 | 73% | 0.725 | S | S | . | * | trans | 75.1 | 139.2 | 170.1 | -47 | -36.6 | 0 | 0 | 0 | 114.8 | Q396 | N229-Q396 VanDerWaalsContact O-CD 3.23Å; N229-Q396 PolarHBondContact O-NE2 3.08Å; N229-Q396 PolarHBondContact O-OE1 3.22Å | ||
| 230 | A | 33.8 | Very low | 37.9 | Very low | 55 Ų | 55 | 122 Ų | 122 | 46% | 0.455 | 73% | 0.726 | S | S | . | * | cis | 113.1 | 95 | 9.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | Q396 E397 | A230-Q396 VanDerWaalsContact C-CB 3.49Å; A230-E397 PolarHBondContact N-OE2 2.96Å | ||
| 231 | V | 38.7 | Very low | 36.6 | Very low | 106 Ų | 106 | 121.8 Ų | 121.8 | 64% | 0.642 | 73% | 0.727 | S | S | * | * | 53.1 | 125.2 | 123.5 | 175.4 | 0 | 0 | 0 | 0 | 119.4 | Q396 | V231-Q396 VanDerWaalsContact CA-O 3.29Å; V231-Q396 WeakPolarHBondContact CA-O 3.28Å; V231-Q396 PolarHBondContact N-O 3.08Å | |||
| 232 | P | 48.1 | Very low | 36 | Very low | 96 Ų | 96 | 120.5 Ų | 120.5 | 62% | 0.623 | 72% | 0.721 | S | S | * | * | -152.9 | 168.6 | 90.6 | 40.5 | -20.8 | 0 | 0 | 0 | 120.6 | G395 | P232-G395 WeakPolarHBondContact CD-O 3.3Š| |||
| 233 | K | 31.9 | Very low | 36.1 | Very low | 172 Ų | 172 | 119.6 Ų | 119.6 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | trans | -75.3 | 156.2 | 168.8 | -147.1 | 178 | 176.6 | -172.4 | 0 | 110 | ||||
| 234 | I | 36.2 | Very low | 36.1 | Very low | 146 Ų | 146 | 121.5 Ų | 121.5 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | -173.9 | 144.1 | 74 | 41.4 | 171.7 | 0 | 0 | 0 | 108 | |||||
| 235 | E | 33.9 | Very low | 36.2 | Very low | 161 Ų | 161 | 119.9 Ų | 119.9 | 75% | 0.752 | 73% | 0.728 | S | S | * | * | 73.4 | 135.4 | 66.1 | -153.9 | 167.1 | 165.8 | 0 | 0 | 114.8 | |||||
| 236 | S | 37.8 | Very low | 35.8 | Very low | 112 Ų | 112 | 118.2 Ų | 118.2 | 78% | 0.783 | 73% | 0.728 | S | S | * | * | trans | -113.4 | 161.4 | -159.9 | -48.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 237 | P | 49.4 | Very low | 35.2 | Very low | 112 Ų | 112 | 118.7 Ų | 118.7 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | -102.7 | 126.5 | 166.5 | 35.5 | -28.2 | 0 | 0 | 0 | 114.4 | ||||
| 238 | D | 28.8 | Very low | 36 | Very low | 163 Ų | 163 | 120.1 Ų | 120.1 | 87% | 0.872 | 74% | 0.74 | S | S | * | * | trans | 60.9 | 167.6 | 141.1 | -60.4 | -41 | 0 | 0 | 0 | 123.2 | ||||
| 239 | S | 33.4 | Very low | 35.9 | Very low | 117 Ų | 117 | 121.9 Ų | 121.9 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | -141 | 153.7 | -163 | -64.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 240 | S | 31.5 | Very low | 36 | Very low | 110 Ų | 110 | 121.2 Ų | 121.2 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | trans | 178 | 146 | 141.5 | 35.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 241 | S | 33.8 | Very low | 36.2 | Very low | 100 Ų | 100 | 126.5 Ų | 126.5 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | trans | 55.7 | 123.8 | 165.1 | 43.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 242 | S | 34.4 | Very low | 36.8 | Very low | 101 Ų | 101 | 126.4 Ų | 126.4 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | 66.9 | 135.2 | 53.3 | -48.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 243 | M | 34.6 | Very low | 36 | Very low | 166 Ų | 166 | 127.3 Ų | 127.3 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | cis | -158.7 | 159.7 | 11.4 | 36.6 | -95.2 | 137.1 | 0 | 0 | 113.4 | ||||
| 244 | S | 31.9 | Very low | 35.9 | Very low | 118 Ų | 118 | 124.1 Ų | 124.1 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | 4.1 | 148.8 | 149.2 | -101.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 245 | S | 32.3 | Very low | 35.7 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | cis | -173.2 | -178.9 | 32 | 45.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 246 | G | 29.3 | Very low | 35.6 | Very low | 72 Ų | 72 | 125.9 Ų | 125.9 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | cis | 179.6 | 172.9 | 0.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 247 | S | 36.8 | Very low | 35.3 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -84.5 | 171.1 | 179.7 | -48.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 248 | P | 50.8 | Low | 34.4 | Very low | 132 Ų | 132 | 128 Ų | 128 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | -149.8 | -179.1 | 109.3 | 39.4 | -23.2 | 0 | 0 | 0 | 116.2 | |||||
| 249 | H | 34.7 | Very low | 34.7 | Very low | 181 Ų | 181 | 129.2 Ų | 129.2 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -125.3 | 123.4 | -178.5 | -115.3 | -58.8 | 0 | 0 | 0 | 113.3 | ||||
| 250 | S | 34.7 | Very low | 34.5 | Very low | 86 Ų | 86 | 130.5 Ų | 130.5 | 60% | 0.601 | 79% | 0.793 | S | S | * | * | trans | 56.8 | 102.5 | 131.2 | -58.1 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 251 | I | 37.8 | Very low | 34.4 | Very low | 165 Ų | 165 | 130.2 Ų | 130.2 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | 57 | 174.3 | 134.8 | 36.8 | 169.5 | 0 | 0 | 0 | 120.7 | ||||
| 252 | P | 50.7 | Low | 34.4 | Very low | 105 Ų | 105 | 130.9 Ų | 130.9 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | cis | -135.1 | 172.2 | 5.5 | 43.2 | -26.9 | 0 | 0 | 0 | 118.3 | ||||
| 253 | S | 30.5 | Very low | 34.3 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | 174.6 | 142.4 | 129.4 | -81.3 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 254 | S | 31.4 | Very low | 34.3 | Very low | 106 Ų | 106 | 134 Ų | 134 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | trans | 17.4 | 128.6 | 151.8 | 64.9 | 0 | 0 | 0 | 0 | 125 | ||||
| 255 | R | 32 | Very low | 34.4 | Very low | 229 Ų | 229 | 136.6 Ų | 136.6 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | 174.8 | 125.1 | 113.3 | -95.5 | 179.5 | -178.2 | -158.2 | 0 | 109.3 | |||||
| 256 | S | 30.6 | Very low | 34.5 | Very low | 115 Ų | 115 | 137.5 Ų | 137.5 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | 73 | 107.6 | 83.1 | -56.8 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 257 | I | 32.5 | Very low | 34.6 | Very low | 169 Ų | 169 | 141.4 Ų | 141.4 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | trans | -103.6 | 134.2 | 177.2 | -46.2 | 171.8 | 0 | 0 | 0 | 108.1 | ||||
| 258 | A | 30.5 | Very low | 34.5 | Very low | 98 Ų | 98 | 144.1 Ų | 144.1 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -123.5 | 142.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 259 | M | 34.1 | Very low | 33.9 | Very low | 189 Ų | 189 | 146.1 Ų | 146.1 | 93% | 0.931 | 78% | 0.782 | S | S | * | * | trans | -94.3 | 138.5 | 172 | -77 | 179.9 | 160.8 | 0 | 0 | 109.5 | ||||
| 260 | D | 29.8 | Very low | 34 | Very low | 144 Ų | 144 | 144.8 Ų | 144.8 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -90.6 | 156.6 | 167.2 | -175.1 | 35.4 | 0 | 0 | 0 | 110.1 | ||||
| 261 | S | 29.2 | Very low | 34.2 | Very low | 105 Ų | 105 | 148.1 Ų | 148.1 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -151.6 | 120 | -178.1 | -70.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 262 | S | 34 | Very low | 34.2 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -108.1 | 148.1 | 179.3 | -65.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 263 | E | 31.3 | Very low | 33.5 | Very low | 177 Ų | 177 | 148.7 Ų | 148.7 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | trans | -91.4 | 160 | -164.2 | -56.9 | 167.2 | 87.9 | 0 | 0 | 114.2 | ||||
| 264 | H | 34.8 | Very low | 33.6 | Very low | 156 Ų | 156 | 150 Ų | 150 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | 166.4 | 117.4 | 121.3 | -105.6 | -100 | 0 | 0 | 0 | 113.1 | |||||
| 265 | H | 35.3 | Very low | 33.6 | Very low | 173 Ų | 173 | 152 Ų | 152 | 80% | 0.801 | 76% | 0.764 | S | S | * | * | -177 | 166.8 | 115.9 | -101.8 | 82.9 | 0 | 0 | 0 | 114.8 | |||||
| 266 | Q | 33.3 | Very low | 33.5 | Very low | 137 Ų | 137 | 149.8 Ų | 149.8 | 64% | 0.64 | 76% | 0.763 | S | S | * | * | trans | -101 | 159.7 | -152.4 | -68 | 170.3 | -29.6 | 0 | 0 | 116.8 | ||||
| 267 | Q | 32.4 | Very low | 33.5 | Very low | 155 Ų | 155 | 152.5 Ų | 152.5 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | trans | 67.6 | 149.6 | 146.7 | -72.3 | 167.5 | 35.3 | 0 | 0 | 118.2 | ||||
| 268 | Q | 34.6 | Very low | 33.4 | Very low | 177 Ų | 177 | 151.9 Ų | 151.9 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | cis | -151.2 | -168.2 | 36.3 | -145.5 | 164.2 | 65.1 | 0 | 0 | 114.8 | ||||
| 269 | Q | 37.7 | Very low | 33.4 | Very low | 174 Ų | 174 | 151.7 Ų | 151.7 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | -93.5 | 178.2 | -174.3 | -74 | 171.9 | 11.9 | 0 | 0 | 112.1 | ||||
| 270 | Q | 37.9 | Very low | 33.3 | Very low | 154 Ų | 154 | 150.8 Ų | 150.8 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | cis | -178.1 | 172.9 | -25.5 | -178.1 | -175.6 | 91 | 0 | 0 | 106.8 | ||||
| 271 | Q | 37.4 | Very low | 33.4 | Very low | 155 Ų | 155 | 148 Ų | 148 | 72% | 0.724 | 74% | 0.739 | S | S | * | * | trans | 81.7 | 159 | 167.4 | -49.8 | -175.2 | 19 | 0 | 0 | 118.1 | ||||
| 272 | Q | 38.4 | Very low | 33.6 | Very low | 139 Ų | 139 | 148.2 Ų | 148.2 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | cis | -161 | 151.3 | -32.7 | -104.8 | -169.8 | 41.6 | 0 | 0 | 111.5 | ||||
| 273 | Q | 35.2 | Very low | 33.7 | Very low | 143 Ų | 143 | 149.4 Ų | 149.4 | 67% | 0.668 | 74% | 0.743 | S | S | * | * | trans | 62.7 | 123.1 | 144.5 | -69.6 | -160.4 | 70.8 | 0 | 0 | 125.5 | ||||
| 274 | Q | 33.8 | Very low | 34.1 | Very low | 141 Ų | 141 | 149.8 Ų | 149.8 | 66% | 0.659 | 75% | 0.745 | S | S | * | * | trans | 92.3 | 118.8 | 130.3 | -75.3 | -162.9 | 55.8 | 0 | 0 | 125.1 | ||||
| 275 | Q | 30.9 | Very low | 34 | Very low | 148 Ų | 148 | 145.6 Ų | 145.6 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | trans | 60.6 | 117.6 | 138.2 | -60 | -161 | 68.1 | 0 | 0 | 122.8 | ||||
| 276 | H | 29.7 | Very low | 34 | Very low | 184 Ų | 184 | 147.6 Ų | 147.6 | 85% | 0.852 | 75% | 0.751 | S | S | * | * | -166.5 | 146.5 | 102.1 | -107.1 | -80.7 | 0 | 0 | 0 | 112 | |||||
| 277 | H | 31.4 | Very low | 34.2 | Very low | 172 Ų | 172 | 145.9 Ų | 145.9 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | trans | -80.2 | 159.7 | 160.8 | -72.7 | -81.4 | 0 | 0 | 0 | 109.3 | ||||
| 278 | H | 30.8 | Very low | 34.6 | Very low | 155 Ų | 155 | 144.6 Ų | 144.6 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | cis | -143.4 | -163.9 | 24.7 | -150.7 | 42.5 | 0 | 0 | 0 | 109.2 | ||||
| 279 | S | 30.3 | Very low | 35.2 | Very low | 95 Ų | 95 | 142.7 Ų | 142.7 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | cis | -151.2 | -101 | 17.7 | 56.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 280 | Q | 32.3 | Very low | 35.5 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | trans | -149.6 | 154.7 | -157 | -77.6 | 177.1 | -4.1 | 0 | 0 | 109.8 | ||||
| 281 | A | 31.3 | Very low | 36.1 | Very low | 85 Ų | 85 | 142.1 Ų | 142.1 | 70% | 0.702 | 76% | 0.757 | S | S | * | * | cis | -162 | 161.7 | -10 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 282 | S | 33.6 | Very low | 36.4 | Very low | 110 Ų | 110 | 142.8 Ų | 142.8 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | 25.7 | 114.1 | 155.8 | 59.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 283 | T | 36.4 | Very low | 36.6 | Very low | 137 Ų | 137 | 142.7 Ų | 142.7 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | trans | -75.5 | 146.4 | 152.4 | 45.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 284 | Q | 37.8 | Very low | 36.6 | Very low | 185 Ų | 185 | 141.3 Ų | 141.3 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -142.3 | 159.9 | 168.8 | -86.7 | -57.3 | -19.4 | 0 | 0 | 112.4 | ||||
| 285 | G | 32.6 | Very low | 36.8 | Very low | 68 Ų | 68 | 143.4 Ų | 143.4 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | -73.4 | 158.6 | -159 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 286 | F | 35.5 | Very low | 37 | Very low | 216 Ų | 216 | 148.6 Ų | 148.6 | 95% | 0.947 | 81% | 0.806 | S | S | * | * | trans | -79.5 | 134.2 | 165.5 | -68.7 | -95.2 | 0 | 0 | 0 | 110.4 | ||||
| 287 | S | 38.5 | Very low | 37.1 | Very low | 101 Ų | 101 | 143.7 Ų | 143.7 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | trans | -132.9 | 155.2 | 164.3 | -162.2 | 0 | 0 | 0 | 0 | 110.3 | D289 | S287-D289 PolarHBondContact OG-OD2 3.12Å; S287-D289 VanDerWaalsContact OG-OD2 3.11Å | ||
| 288 | V | 41.2 | Very low | 37.3 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -117.7 | 61.8 | -163.9 | -167.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 289 | D | 47.5 | Very low | 38.4 | Very low | 137 Ų | 137 | 138.6 Ų | 138.6 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | trans | -122.6 | 4.6 | -177.9 | -65.1 | -78.2 | 0 | 0 | 0 | 113.7 | S287 I291 | S287-D289 PolarHBondContact OG-OD2 3.12Å; S287-D289 VanDerWaalsContact OG-OD2 3.11Å; D289-I291 PolarHBondContact O-N 3.26Å | ||
| 290 | N | 43.2 | Very low | 38.6 | Very low | 161 Ų | 161 | 143 Ų | 143 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | trans | -99 | 24 | -170.2 | -138.9 | 66.8 | 0 | 0 | 0 | 114.6 | ||||
| 291 | I | 50.8 | Low | 38.6 | Very low | 154 Ų | 154 | 138.3 Ų | 138.3 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -128.2 | 46.4 | -179.9 | -39.2 | -177.9 | 0 | 0 | 0 | 111.7 | D289 | D289-I291 PolarHBondContact O-N 3.26Š|
| 292 | M | 43 | Very low | 38.6 | Very low | 169 Ų | 169 | 140.3 Ų | 140.3 | 83% | 0.833 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -162.2 | 144.6 | 157.2 | -109.4 | 162.5 | 70.1 | 0 | 0 | 110 | ||
| 293 | T | 42.7 | Very low | 38.8 | Very low | 137 Ų | 137 | 140.9 Ų | 140.9 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | S | Bend | trans | 79.2 | 57.7 | 170.6 | -34 | 0 | 0 | 0 | 0 | 118.2 | ||
| 294 | S | 35.3 | Very low | 38.7 | Very low | 115 Ų | 115 | 143.2 Ų | 143.2 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -157.7 | 64 | 158.5 | 53 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 295 | L | 37.7 | Very low | 38.7 | Very low | 184 Ų | 184 | 142 Ų | 142 | 96% | 0.963 | 81% | 0.814 | S | S | * | * | trans | -158.6 | 74.1 | 164.7 | -112.4 | 167.4 | 0 | 0 | 0 | 112.4 | ||||
| 296 | R | 34.4 | Very low | 39.8 | Very low | 257 Ų | 257 | 143.6 Ų | 143.6 | 97% | 0.97 | 81% | 0.812 | S | S | * | * | trans | -147.1 | 101 | 164.6 | -172.7 | -172.8 | -68.6 | -119.4 | 4.3 | 109.6 | ||||
| 297 | G | 32.6 | Very low | 39.8 | Very low | 82 Ų | 82 | 138.2 Ų | 138.2 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | -177.7 | 117 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 298 | S | 36.6 | Very low | 39.6 | Very low | 112 Ų | 112 | 137.9 Ų | 137.9 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | -127 | 155.8 | 177.4 | 174.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 299 | P | 52.6 | Low | 39.4 | Very low | 107 Ų | 107 | 138.9 Ų | 138.9 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | -137.9 | 149.6 | 119.2 | 36 | -24.8 | 0 | 0 | 0 | 114.7 | |||||
| 300 | Q | 34.3 | Very low | 38.9 | Very low | 188 Ų | 188 | 138.3 Ų | 138.3 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | trans | 40.6 | 125.8 | 137.7 | -54.9 | 171.6 | 9 | 0 | 0 | 118.6 | ||||
| 301 | G | 32.5 | Very low | 38.5 | Very low | 72 Ų | 72 | 134.9 Ų | 134.9 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | cis | -175.1 | -144.8 | 2.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 302 | V | 32.7 | Very low | 37.8 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | cis | -156.6 | 163.9 | -4.5 | -71.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 303 | T | 36.3 | Very low | 37.7 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | 58.7 | 141.5 | 172.3 | 48.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 304 | E | 34.4 | Very low | 37.5 | Very low | 185 Ų | 185 | 134.8 Ų | 134.8 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | cis | -149.9 | -173.2 | 1 | -134.6 | 164.3 | -143 | 0 | 0 | 111.5 | ||||
| 305 | L | 38.5 | Very low | 37.6 | Very low | 160 Ų | 160 | 135.1 Ų | 135.1 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -118.7 | 179.5 | -172.5 | -82.2 | 172.4 | 0 | 0 | 0 | 111 | ||||
| 306 | P | 56 | Low | 37.7 | Very low | 102 Ų | 102 | 132.4 Ų | 132.4 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | cis | -133.6 | -163.6 | -20.1 | 26 | -1.2 | 0 | 0 | 0 | 113.3 | ||||
| 307 | S | 34.5 | Very low | 37.7 | Very low | 103 Ų | 103 | 123.5 Ų | 123.5 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | trans | 85.3 | 147.5 | 147.4 | -53 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 308 | S | 35.2 | Very low | 38 | Very low | 93 Ų | 93 | 127.3 Ų | 127.3 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | cis | 178.5 | 136.1 | -49 | 46.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 309 | L | 36.6 | Very low | 38.1 | Very low | 150 Ų | 150 | 127.9 Ų | 127.9 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | 70.9 | 110.5 | 152.1 | -62.9 | 167.2 | 0 | 0 | 0 | 121.6 | ||||
| 310 | T | 36.9 | Very low | 38.5 | Very low | 124 Ų | 124 | 127.8 Ų | 127.8 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | 55.9 | 127.8 | 127.9 | 64.1 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 311 | A | 35.6 | Very low | 38.7 | Very low | 89 Ų | 89 | 123.3 Ų | 123.3 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | 143.2 | 151.2 | 106.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 312 | S | 36.2 | Very low | 39.1 | Very low | 109 Ų | 109 | 127.6 Ų | 127.6 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | trans | 76.3 | 113.2 | 146.8 | -61.6 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 313 | T | 39.5 | Very low | 39.2 | Very low | 125 Ų | 125 | 126.2 Ų | 126.2 | 77% | 0.767 | 76% | 0.755 | S | S | * | * | trans | 25.3 | 143.4 | 130.8 | 53.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 314 | R | 39.8 | Very low | 39.3 | Very low | 225 Ų | 225 | 127.7 Ų | 127.7 | 85% | 0.849 | 76% | 0.757 | S | S | * | * | cis | -143.1 | -143.7 | 36.1 | -131.6 | 163.3 | -162.3 | 167.3 | 5.1 | 111.7 | ||||
| 315 | T | 36.8 | Very low | 39.1 | Very low | 122 Ų | 122 | 125.3 Ų | 125.3 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | cis | -156 | -147.7 | 14.3 | -29.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 316 | T | 40 | Very low | 38.7 | Very low | 126 Ų | 126 | 127.9 Ų | 127.9 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | trans | -66 | 166.2 | 174.4 | 43.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 317 | G | 34.7 | Very low | 37.7 | Very low | 70 Ų | 70 | 127.3 Ų | 127.3 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | cis | 115 | 149.4 | 20.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 318 | I | 39.3 | Very low | 38.7 | Very low | 162 Ų | 162 | 128.4 Ų | 128.4 | 83% | 0.831 | 75% | 0.753 | S | S | * | * | cis | -149.1 | 178.7 | 6.2 | -61.2 | -178.5 | 0 | 0 | 0 | 109.1 | ||||
| 319 | T | 38.7 | Very low | 38.7 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | trans | -83.4 | -167.2 | 177.2 | 56.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 320 | P | 59.4 | Low | 38.5 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | cis | -148.3 | 162.3 | 3.5 | 45.4 | -25 | 0 | 0 | 0 | 121.3 | ||||
| 321 | S | 39.8 | Very low | 38.3 | Very low | 94 Ų | 94 | 132.5 Ų | 132.5 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | trans | 56.6 | 151.7 | 131.6 | 74.7 | 0 | 0 | 0 | 0 | 128 | ||||
| 322 | L | 39.7 | Very low | 38.5 | Very low | 162 Ų | 162 | 133 Ų | 133 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | trans | 79 | 151.9 | 157.8 | -56.4 | -172.9 | 0 | 0 | 0 | 118.7 | ||||
| 323 | S | 35.9 | Very low | 38.3 | Very low | 97 Ų | 97 | 133.7 Ų | 133.7 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | cis | -166.8 | -178 | -16.2 | 50.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 324 | L | 37.1 | Very low | 37.9 | Very low | 154 Ų | 154 | 138.1 Ų | 138.1 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | trans | -30.3 | 164.1 | 179.5 | -65.1 | 73.1 | 0 | 0 | 0 | 118.8 | ||||
| 325 | N | 30.5 | Very low | 37.5 | Very low | 136 Ų | 136 | 131.9 Ų | 131.9 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | cis | -171.7 | 170.4 | 39.1 | -158.1 | 7.4 | 0 | 0 | 0 | 115.8 | ||||
| 326 | Y | 29.9 | Very low | 37.5 | Very low | 214 Ų | 214 | 131.5 Ų | 131.5 | 84% | 0.839 | 76% | 0.758 | S | S | * | * | trans | 76.3 | 166.4 | 150.4 | -123.3 | -108.3 | 0 | 0 | 0 | 123.2 | ||||
| 327 | S | 35.8 | Very low | 37.9 | Very low | 89 Ų | 89 | 131.4 Ų | 131.4 | 62% | 0.622 | 76% | 0.76 | S | S | * | * | trans | -146.9 | 160.6 | -168.4 | 176.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 328 | P | 56.2 | Low | 37.7 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | -150.3 | 179.1 | 116.1 | 38.7 | -20.9 | 0 | 0 | 0 | 117.5 | |||||
| 329 | N | 33.8 | Very low | 37.6 | Very low | 157 Ų | 157 | 132.1 Ų | 132.1 | 84% | 0.84 | 76% | 0.756 | S | S | * | * | trans | -64.2 | 162.7 | -178.2 | -75.5 | -35.7 | 0 | 0 | 0 | 117.6 | ||||
| 330 | Q | 33.6 | Very low | 37.6 | Very low | 174 Ų | 174 | 133.5 Ų | 133.5 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | trans | -167.9 | -178.6 | 135.5 | -99.4 | -69.3 | 30.8 | 0 | 0 | 111.7 | ||||
| 331 | T | 33 | Very low | 36.5 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | -138.8 | -176.9 | -167.7 | 62.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 332 | S | 38.6 | Very low | 36.1 | Very low | 99 Ų | 99 | 135 Ų | 135 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | cis | -167.7 | -174.6 | 14.8 | -152.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 333 | V | 32.8 | Very low | 35.8 | Very low | 124 Ų | 124 | 135 Ų | 135 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | trans | 66.6 | 141.3 | 156.5 | -70.7 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 334 | Y | 29.8 | Very low | 35.9 | Very low | 219 Ų | 219 | 134.9 Ų | 134.9 | 86% | 0.859 | 76% | 0.755 | S | S | * | * | trans | 67.2 | 149.4 | 149.6 | -96.3 | -132 | 0 | 0 | 0 | 120.1 | ||||
| 335 | S | 31.4 | Very low | 35.8 | Very low | 94 Ų | 94 | 133.2 Ų | 133.2 | 66% | 0.657 | 75% | 0.751 | S | S | * | * | cis | -169.7 | 157.2 | -13 | 42.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 336 | S | 37.6 | Very low | 36 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | trans | -89.9 | 170.9 | 169.1 | -39.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 337 | P | 48.2 | Very low | 36.3 | Very low | 124 Ų | 124 | 126.5 Ų | 126.5 | 81% | 0.805 | 74% | 0.742 | S | S | * | * | -152.1 | -159.3 | 78.6 | 42.5 | -21.3 | 0 | 0 | 0 | 116.3 | |||||
| 338 | C | 31.6 | Very low | 36.1 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 75% | 0.75 | 76% | 0.755 | S | S | * | * | trans | -78.3 | -172 | -171.6 | 55.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 339 | N | 37.2 | Very low | 35 | Very low | 135 Ų | 135 | 128.8 Ų | 128.8 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | cis | -171 | -179.1 | 36.2 | -160.6 | 11.2 | 0 | 0 | 0 | 114.7 | ||||
| 340 | Q | 37.3 | Very low | 35 | Very low | 154 Ų | 154 | 128.1 Ų | 128.1 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | trans | 88 | 137.6 | 158.6 | -71.1 | -145.9 | 94.8 | 0 | 0 | 118.1 | ||||
| 341 | N | 36 | Very low | 35.1 | Very low | 126 Ų | 126 | 129.7 Ų | 129.7 | 67% | 0.674 | 76% | 0.755 | S | S | * | * | cis | -161.8 | -179.1 | -19.4 | -149.8 | -20.8 | 0 | 0 | 0 | 111 | ||||
| 342 | S | 33.1 | Very low | 35.1 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | 77.7 | 145.7 | 167.4 | 84.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 343 | I | 32.1 | Very low | 34.6 | Very low | 162 Ų | 162 | 133.4 Ų | 133.4 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | cis | -140.1 | 173.8 | -7.3 | -146 | 164.3 | 0 | 0 | 0 | 111.8 | ||||
| 344 | S | 37.4 | Very low | 34.7 | Very low | 94 Ų | 94 | 135 Ų | 135 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | trans | -94 | 164.1 | -170.2 | 58.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 345 | T | 35.5 | Very low | 34.9 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | cis | -160.5 | 169.5 | 27 | -23.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 346 | T | 34.5 | Very low | 35.1 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | cis | -161.1 | 162.7 | 22.4 | -38.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 347 | S | 36.6 | Very low | 34.9 | Very low | 93 Ų | 93 | 133.7 Ų | 133.7 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | trans | 49.2 | 108.2 | 151.3 | 56.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 348 | N | 31.1 | Very low | 34.1 | Very low | 168 Ų | 168 | 138.7 Ų | 138.7 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | 53.9 | 141.5 | 124.4 | -62.4 | 3 | 0 | 0 | 0 | 121.2 | |||||
| 349 | A | 34.6 | Very low | 34.2 | Very low | 95 Ų | 95 | 137.9 Ų | 137.9 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | cis | -144.5 | 175.5 | 7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 350 | T | 33.4 | Very low | 33.8 | Very low | 142 Ų | 142 | 135.3 Ų | 135.3 | 87% | 0.871 | 77% | 0.774 | S | S | * | * | trans | -114.2 | 146.3 | -157.4 | -43.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 351 | Y | 34.9 | Very low | 33.5 | Very low | 208 Ų | 208 | 134.8 Ų | 134.8 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | trans | -75.6 | 150.8 | 169.4 | -58.2 | -102.8 | 0 | 0 | 0 | 112.5 | ||||
| 352 | H | 33.5 | Very low | 33.4 | Very low | 183 Ų | 183 | 139.6 Ų | 139.6 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | -176.1 | 167.9 | 113 | -119.6 | -95.3 | 0 | 0 | 0 | 115.2 | |||||
| 353 | C | 28.2 | Very low | 33.4 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | -110.1 | 152.3 | 171.7 | -42.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 354 | N | 34 | Very low | 33.4 | Very low | 158 Ų | 158 | 136 Ų | 136 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | -175.7 | 173.6 | 120.1 | -149.6 | -3.4 | 0 | 0 | 0 | 113 | |||||
| 355 | M | 34.9 | Very low | 33.6 | Very low | 158 Ų | 158 | 140 Ų | 140 | 78% | 0.778 | 79% | 0.794 | S | S | * | * | trans | -81.4 | 174.5 | 165.8 | -51.7 | -152.4 | 75.5 | 0 | 0 | 112 | ||||
| 356 | S | 35.2 | Very low | 33.6 | Very low | 85 Ų | 85 | 142 Ų | 142 | 59% | 0.594 | 80% | 0.799 | S | S | * | * | cis | -162.7 | 162.2 | 8.5 | -142.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 357 | L | 34.5 | Very low | 33.4 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | 54.2 | 124.8 | 156.7 | -64.7 | 169.2 | 0 | 0 | 0 | 121.9 | ||||
| 358 | Y | 31.7 | Very low | 34.1 | Very low | 229 Ų | 229 | 141.9 Ų | 141.9 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | -177.7 | 149.3 | 115 | -117.5 | -89.1 | 0 | 0 | 0 | 115.4 | |||||
| 359 | A | 31.7 | Very low | 34 | Very low | 95 Ų | 95 | 138 Ų | 138 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | 53.1 | 127.8 | 155 | 0 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 360 | G | 29.4 | Very low | 33.9 | Very low | 80 Ų | 80 | 139.5 Ų | 139.5 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | 89.7 | 151.3 | 140.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 361 | D | 31 | Very low | 34 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | cis | -165.8 | 137.6 | -18.8 | 172 | 36.5 | 0 | 0 | 0 | 109.6 | ||||
| 362 | R | 35.3 | Very low | 33.7 | Very low | 227 Ų | 227 | 135.2 Ų | 135.2 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | trans | 169.7 | 121.8 | 140.4 | -98.7 | 176.6 | 172.3 | -162.9 | -3.8 | 116.2 | ||||
| 363 | S | 31.8 | Very low | 33.7 | Very low | 118 Ų | 118 | 134.7 Ų | 134.7 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | 22.1 | 127.6 | 137 | -48.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 364 | G | 33 | Very low | 34 | Very low | 74 Ų | 74 | 136 Ų | 136 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | trans | -177.5 | 61.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 365 | H | 40.1 | Very low | 33.9 | Very low | 177 Ų | 177 | 136 Ų | 136 | 82% | 0.819 | 78% | 0.783 | S | S | * | * | trans | 54.9 | 96.7 | 162.1 | -81.2 | -99.6 | 0 | 0 | 0 | 121.4 | ||||
| 366 | L | 35.9 | Very low | 34.8 | Very low | 160 Ų | 160 | 133.3 Ų | 133.3 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | 52.6 | 123.5 | 121.3 | -70.7 | 161.9 | 0 | 0 | 0 | 122.2 | |||||
| 367 | A | 31.2 | Very low | 34.5 | Very low | 91 Ų | 91 | 136.1 Ų | 136.1 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | -85.6 | -153.2 | 156.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 368 | P | 49.9 | Very low | 34.3 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | cis | -128.6 | -161 | 9 | 48.9 | -31.2 | 0 | 0 | 0 | 111.4 | ||||
| 369 | S | 30.9 | Very low | 34.1 | Very low | 88 Ų | 88 | 133 Ų | 133 | 62% | 0.615 | 78% | 0.777 | S | S | * | * | cis | -172.4 | -177 | -17.9 | 35.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 370 | T | 31.1 | Very low | 34.1 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 77% | 0.767 | 78% | 0.776 | S | S | * | * | trans | 71.6 | 152 | 159.9 | 67.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 371 | V | 34.9 | Very low | 34.1 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 72% | 0.715 | 77% | 0.771 | S | S | * | * | cis | -160.1 | 170.3 | -18.1 | -97.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 372 | D | 30.4 | Very low | 34.2 | Very low | 143 Ų | 143 | 134.8 Ų | 134.8 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | trans | 60.1 | 140 | 163.8 | -67 | -166.1 | 0 | 0 | 0 | 117.4 | ||||
| 373 | E | 32.7 | Very low | 33.9 | Very low | 172 Ų | 172 | 130.5 Ų | 130.5 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | cis | 77.2 | 101.4 | 45.2 | -170.6 | 161.6 | 133.2 | 0 | 0 | 114.4 | ||||
| 374 | T | 34 | Very low | 33.8 | Very low | 142 Ų | 142 | 129.2 Ų | 129.2 | 87% | 0.871 | 76% | 0.758 | S | S | * | * | trans | -179.6 | 145.4 | 139.5 | 19.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 375 | L | 33.3 | Very low | 33.7 | Very low | 158 Ų | 158 | 131.3 Ų | 131.3 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | trans | -91.3 | 173.4 | 157 | -90.9 | 165.9 | 0 | 0 | 0 | 108.3 | ||||
| 376 | P | 53.1 | Low | 33 | Very low | 103 Ų | 103 | 127.3 Ų | 127.3 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | cis | -149.9 | -169.2 | 29.7 | 44.5 | -22.6 | 0 | 0 | 0 | 118 | ||||
| 377 | D | 28.1 | Very low | 32.8 | Very low | 144 Ų | 144 | 127 Ų | 127 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | 39.5 | 129.8 | 145.4 | -71.4 | -49.8 | 0 | 0 | 0 | 122.8 | ||||
| 378 | Y | 31.6 | Very low | 32.8 | Very low | 223 Ų | 223 | 128.1 Ų | 128.1 | 88% | 0.875 | 75% | 0.749 | S | S | * | * | -163.7 | 178.6 | 92.1 | 65.1 | -96.2 | 0 | 0 | 0 | 114.2 | |||||
| 379 | S | 27.4 | Very low | 32.1 | Very low | 94 Ų | 94 | 130.4 Ų | 130.4 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | trans | -81.8 | -179.8 | -167.7 | 56.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 380 | V | 31.2 | Very low | 32 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | -156.7 | 138.5 | 56.6 | 174.8 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 381 | T | 28.4 | Very low | 32 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | trans | -4.5 | 135.6 | 152.5 | -41.3 | 0 | 0 | 0 | 0 | 124 | ||||
| 382 | T | 33.2 | Very low | 31.6 | Very low | 114 Ų | 114 | 133.1 Ų | 133.1 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | trans | -16.5 | 140.2 | 146.2 | -45.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 383 | T | 30.3 | Very low | 31.6 | Very low | 137 Ų | 137 | 132.6 Ų | 132.6 | 84% | 0.84 | 76% | 0.759 | S | S | * | * | trans | -172.2 | 142.9 | 137.4 | 19.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 384 | S | 30 | Very low | 31.5 | Very low | 91 Ų | 91 | 129.1 Ų | 129.1 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | cis | 104.4 | 118.7 | 15.5 | -63.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 385 | S | 29.1 | Very low | 31.3 | Very low | 119 Ų | 119 | 124.8 Ų | 124.8 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | trans | 67.3 | 161.6 | 162.1 | 72.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 386 | S | 27 | Very low | 31.3 | Very low | 92 Ų | 92 | 121.5 Ų | 121.5 | 64% | 0.643 | 72% | 0.718 | S | S | * | * | cis | -175.9 | 148.3 | -41.7 | 58 | 0 | 0 | 0 | 0 | 112 | ||||
| 387 | L | 30.5 | Very low | 30.2 | Very low | 153 Ų | 153 | 123.8 Ų | 123.8 | 80% | 0.801 | 72% | 0.72 | S | S | * | * | trans | 66.6 | 170.1 | 163.1 | -61.7 | 154.7 | 0 | 0 | 0 | 114.9 | ||||
| 388 | T | 31.7 | Very low | 30.3 | Very low | 116 Ų | 116 | 120.2 Ų | 120.2 | 71% | 0.712 | 72% | 0.717 | S | S | * | * | cis | -147.1 | 146.8 | 21.3 | 51.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 389 | H | 35.5 | Very low | 30.8 | Very low | 165 Ų | 165 | 115.4 Ų | 115.4 | 76% | 0.764 | 71% | 0.713 | S | S | * | * | trans | 45.4 | 132.3 | 139 | -73.9 | -101.8 | 0 | 0 | 0 | 124.9 | ||||
| 390 | A | 28.3 | Very low | 30.9 | Very low | 103 Ų | 103 | 119.1 Ų | 119.1 | 85% | 0.851 | 72% | 0.719 | S | S | * | * | -146.4 | 144.9 | 122.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 391 | N | 31 | Very low | 30.8 | Very low | 127 Ų | 127 | 119 Ų | 119 | 68% | 0.679 | 72% | 0.719 | S | S | * | * | trans | -159.7 | 143.3 | -176.5 | 179.2 | 35.2 | 0 | 0 | 0 | 112.8 | ||||
| 392 | L | 27.2 | Very low | 30.8 | Very low | 158 Ų | 158 | 120.6 Ų | 120.6 | 83% | 0.827 | 72% | 0.718 | S | S | * | * | trans | -148.9 | 110.4 | 161.8 | -74.6 | 174.5 | 0 | 0 | 0 | 107.2 | ||||
| 393 | N | 29.1 | Very low | 30.6 | Very low | 132 Ų | 132 | 123.5 Ų | 123.5 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | 66.3 | 140.3 | 90.2 | -87.8 | 13.4 | 0 | 0 | 0 | 116 | |||||
| 394 | S | 30.8 | Very low | 30.5 | Very low | 98 Ų | 98 | 120.2 Ų | 120.2 | 69% | 0.685 | 72% | 0.717 | S | S | * | * | cis | -173.8 | 142.6 | -3.8 | 44.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 395 | G | 30.6 | Very low | 30.5 | Very low | 52 Ų | 52 | 127.4 Ų | 127.4 | 54% | 0.536 | 73% | 0.73 | S | S | . | * | trans | 70.1 | 163.9 | 142.2 | 0 | 0 | 0 | 0 | 0 | 122 | P232 | P232-G395 WeakPolarHBondContact CD-O 3.3Š| ||
| 396 | Q | 32.6 | Very low | 30.9 | Very low | 88 Ų | 88 | 130 Ų | 130 | 41% | 0.411 | 73% | 0.733 | S | S | . | * | cis | -170.2 | 141.5 | -19.2 | -122.8 | 176.7 | -37.6 | 0 | 0 | 112.3 | N229 A230 V231 | N229-Q396 VanDerWaalsContact O-CD 3.23Å; N229-Q396 PolarHBondContact O-NE2 3.08Å; N229-Q396 PolarHBondContact O-OE1 3.22Å; A230-Q396 VanDerWaalsContact C-CB 3.49Å; V231-Q396 VanDerWaalsContact CA-O 3.29Å; V231-Q396 WeakPolarHBondContact CA-O 3.28Å; V231-Q396 PolarHBondContact N-O 3.08Å | ||
| 397 | E | 30.2 | Very low | 31.1 | Very low | 152 Ų | 152 | 129.8 Ų | 129.8 | 71% | 0.71 | 74% | 0.737 | S | S | * | * | trans | 61.4 | 161.5 | 159 | -56.3 | 178.4 | 137 | 0 | 0 | 118.8 | A230 | A230-E397 PolarHBondContact N-OE2 2.96Š| ||
| 398 | G | 30.3 | Very low | 31 | Very low | 69 Ų | 69 | 128.2 Ų | 128.2 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | cis | 151.9 | 161.5 | 3.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 399 | P | 43.5 | Very low | 30.9 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | cis | -136.9 | -151 | 7.4 | 44.8 | -24.1 | 0 | 0 | 0 | 115.3 | ||||
| 400 | H | 29.6 | Very low | 30.7 | Very low | 173 Ų | 173 | 137.2 Ų | 137.2 | 80% | 0.801 | 76% | 0.755 | S | S | * | * | trans | -51.3 | 169.2 | -174.7 | -42.7 | -70.3 | 0 | 0 | 0 | 117.9 | ||||
| 401 | T | 27.2 | Very low | 31 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | cis | -159.8 | 156.3 | 39.9 | 47.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 402 | H | 29.1 | Very low | 31.3 | Very low | 151 Ų | 151 | 141 Ų | 141 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | trans | 71.9 | 134.8 | 146.3 | -86.4 | -132.2 | 0 | 0 | 0 | 122.7 | ||||
| 403 | Q | 28.5 | Very low | 31.5 | Very low | 176 Ų | 176 | 142.1 Ų | 142.1 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | 35.2 | 138.2 | 137.5 | -54.8 | 174.4 | -1.6 | 0 | 0 | 119.8 | ||||
| 404 | G | 28.4 | Very low | 31.7 | Very low | 67 Ų | 67 | 140.4 Ų | 140.4 | 69% | 0.691 | 77% | 0.765 | S | S | * | * | cis | 138.1 | 156 | 11.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 405 | R | 31.3 | Very low | 31.8 | Very low | 242 Ų | 242 | 139.4 Ų | 139.4 | 91% | 0.913 | 77% | 0.77 | S | S | * | * | trans | 76.7 | 113.8 | -179.3 | -51.2 | -174.1 | -171.5 | -83 | 1.4 | 118.3 | ||||
| 406 | L | 37.6 | Very low | 32.1 | Very low | 174 Ų | 174 | 144.3 Ų | 144.3 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | 13 | 115.6 | 127.2 | -54.5 | 172.4 | 0 | 0 | 0 | 117.5 | |||||
| 407 | A | 29.9 | Very low | 31.9 | Very low | 87 Ų | 87 | 147.8 Ų | 147.8 | 72% | 0.719 | 81% | 0.805 | S | S | * | * | trans | -95 | 118.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 408 | S | 29.2 | Very low | 32.1 | Very low | 120 Ų | 120 | 144.1 Ų | 144.1 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -88.2 | 126 | 171 | -66.2 | 0 | 0 | 0 | 0 | 110.6 | Y410 | S408-Y410 PolarHBondContact O-N 3.41Š| ||
| 409 | W | 29.1 | Very low | 32.1 | Very low | 243 Ų | 243 | 149.3 Ų | 149.3 | 92% | 0.92 | 81% | 0.813 | S | S | * | * | trans | -94.2 | 82.8 | 176.4 | -72.4 | 91.8 | 0 | 0 | 0 | 111.7 | ||||
| 410 | Y | 32.1 | Very low | 31.6 | Very low | 227 Ų | 227 | 151.2 Ų | 151.2 | 89% | 0.89 | 82% | 0.816 | S | S | * | * | trans | -158.2 | 91.7 | 163.4 | -126.9 | -80.7 | 0 | 0 | 0 | 111.4 | S408 | S408-Y410 PolarHBondContact O-N 3.41Š| ||
| 411 | L | 33.8 | Very low | 31.5 | Very low | 168 Ų | 168 | 146.9 Ų | 146.9 | 88% | 0.88 | 82% | 0.818 | S | S | * | * | trans | -150.5 | 154.8 | 152.1 | -157.3 | 58.7 | 0 | 0 | 0 | 110 | ||||
| 412 | N | 36.9 | Very low | 31.8 | Very low | 141 Ų | 141 | 146.1 Ų | 146.1 | 75% | 0.754 | 82% | 0.824 | S | S | * | * | trans | -125.8 | 148.2 | -173.1 | -167.3 | -53.6 | 0 | 0 | 0 | 108.5 | ||||
| 413 | Q | 31.8 | Very low | 32 | Very low | 182 Ų | 182 | 145.1 Ų | 145.1 | 85% | 0.85 | 83% | 0.829 | S | S | * | * | trans | -156 | 157.3 | 168.9 | -131.4 | 163.4 | 95.1 | 0 | 0 | 110.8 | ||||
| 414 | A | 33.4 | Very low | 32.2 | Very low | 97 Ų | 97 | 147.8 Ų | 147.8 | 80% | 0.802 | 83% | 0.833 | S | S | * | * | trans | -144.2 | 157.1 | -166.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 415 | G | 33.5 | Very low | 32.6 | Very low | 76 Ų | 76 | 150.2 Ų | 150.2 | 78% | 0.784 | 84% | 0.837 | S | S | * | * | trans | 83.8 | 150.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 416 | D | 35.5 | Very low | 32.5 | Very low | 155 Ų | 155 | 142.9 Ų | 142.9 | 83% | 0.829 | 83% | 0.828 | S | S | * | * | cis | -161.3 | 179.1 | -10.1 | -153 | -19.6 | 0 | 0 | 0 | 109.9 | ||||
| 417 | L | 30.2 | Very low | 32.4 | Very low | 161 Ų | 161 | 143.1 Ų | 143.1 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | trans | 67.7 | 99.1 | 163.4 | -114.9 | 68.5 | 0 | 0 | 0 | 118.2 | ||||
| 418 | G | 32.7 | Very low | 32.7 | Very low | 75 Ų | 75 | 147.4 Ų | 147.4 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | trans | -104.2 | -167.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 419 | H | 30.5 | Very low | 33.2 | Very low | 178 Ų | 178 | 148.8 Ų | 148.8 | 82% | 0.824 | 82% | 0.822 | S | S | * | * | trans | -155.2 | 167.3 | 163.5 | -151.9 | 54.6 | 0 | 0 | 0 | 112.5 | ||||
| 420 | L | 33.6 | Very low | 33.6 | Very low | 161 Ų | 161 | 142.3 Ų | 142.3 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | 65.9 | 125 | 178 | -52.4 | 179.8 | 0 | 0 | 0 | 116.1 | ||||
| 421 | G | 28.3 | Very low | 34 | Very low | 83 Ų | 83 | 139.6 Ų | 139.6 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -128.9 | 161.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 422 | A | 32.9 | Very low | 34.6 | Very low | 105 Ų | 105 | 138.1 Ų | 138.1 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | trans | -141.3 | 128.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 423 | T | 32 | Very low | 35.3 | Very low | 130 Ų | 130 | 135.2 Ų | 135.2 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | trans | -96.6 | 118.8 | -174.2 | 47.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 424 | Y | 32.7 | Very low | 36.3 | Very low | 231 Ų | 231 | 130.6 Ų | 130.6 | 91% | 0.906 | 76% | 0.762 | S | S | * | * | trans | -146.5 | 152.3 | 154.8 | -86.1 | -68.8 | 0 | 0 | 0 | 110.3 | ||||
| 425 | P | 37.8 | Very low | 37.1 | Very low | 119 Ų | 119 | 135 Ų | 135 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | -82.7 | 144 | -160.6 | 31.9 | -35.8 | 0 | 0 | 0 | 114.2 | ||||
| 426 | A | 30.1 | Very low | 37.8 | Very low | 87 Ų | 87 | 137.6 Ų | 137.6 | 72% | 0.719 | 75% | 0.75 | S | S | * | * | trans | -91.5 | 117.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q428 | A426-Q428 PolarHBondContact O-N 3.45Š| ||
| 427 | Q | 35.1 | Very low | 38.7 | Very low | 179 Ų | 179 | 136.4 Ų | 136.4 | 84% | 0.836 | 74% | 0.741 | S | S | * | * | trans | -86.6 | 76 | 168.5 | -167.9 | 177.1 | 10 | 0 | 0 | 110.2 | Q429 | Q427-Q429 PolarHBondContact O-N 2.9Š| ||
| 428 | Q | 35.7 | Very low | 39.6 | Very low | 177 Ų | 177 | 136.6 Ų | 136.6 | 83% | 0.827 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 117.4 | 173.4 | -75.9 | -169.2 | -2.2 | 0 | 0 | 110.6 | A426 | A426-Q428 PolarHBondContact O-N 3.45Š|
| 429 | Q | 39.1 | Very low | 40.4 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 70% | 0.696 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 145.9 | 165 | -80.2 | -66.3 | -6.4 | 0 | 0 | 111.2 | Q427 | Q427-Q429 PolarHBondContact O-N 2.9Š|
| 430 | N | 39.1 | Very low | 41.1 | Very low | 108 Ų | 108 | 135 Ų | 135 | 58% | 0.578 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 128.3 | -158.4 | -169.2 | -21.4 | 0 | 0 | 0 | 113.1 | H432 | N430-H432 PolarHBondContact OD1-N 2.86Å; N430-H432 VanDerWaalsContact OD1-N 3.09Å; N430-H432 PolarHBondContact OD1-ND1 2.92Å |
| 431 | F | 39.6 | Very low | 41.8 | Very low | 169 Ų | 169 | 135.6 Ų | 135.6 | 74% | 0.741 | 72% | 0.717 | S | S | * | * | trans | -132.8 | 36.2 | 175.8 | -80.5 | -71.8 | 0 | 0 | 0 | 113.8 | S433 | F431-S433 PolarHBondContact O-N 3.45Š| ||
| 432 | H | 47.2 | Very low | 42.7 | Very low | 137 Ų | 137 | 142.7 Ų | 142.7 | 63% | 0.634 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -65.5 | -36.5 | 176.1 | -72.6 | 82.1 | 0 | 0 | 0 | 113 | N430 V434 R435 | N430-H432 PolarHBondContact OD1-N 2.86Å; N430-H432 VanDerWaalsContact OD1-N 3.09Å; N430-H432 PolarHBondContact OD1-ND1 2.92Å; H432-V434 PolarHBondContact O-N 2.7Å; H432-R435 PolarHBondContact O-N 3.33Å |
| 433 | S | 50 | Low | 43.4 | Very low | 81 Ų | 81 | 144.7 Ų | 144.7 | 57% | 0.566 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -62.5 | -15 | -167.3 | -26.6 | 0 | 0 | 0 | 0 | 116.4 | F431 M437 | F431-S433 PolarHBondContact O-N 3.45Å; S433-M437 VanDerWaalsContact O-CE 3.27Å; S433-M437 WeakPolarHBondContact O-CE 3.46Å |
| 434 | V | 53.8 | Low | 43.9 | Very low | 84 Ų | 84 | 141.9 Ų | 141.9 | 51% | 0.509 | 71% | 0.709 | S | S | . | * | G | 310 helix | trans | -94.8 | -23.1 | -176.4 | -166.3 | 0 | 0 | 0 | 0 | 112.1 | H432 | H432-V434 PolarHBondContact O-N 2.7Š|
| 435 | R | 50.5 | Low | 44.5 | Very low | 191 Ų | 191 | 138.2 Ų | 138.2 | 72% | 0.721 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -46.5 | -178.4 | -175.3 | 171.8 | -71.7 | -114 | 1 | 111.5 | H432 M437 F438 E439 | H432-R435 PolarHBondContact O-N 3.33Å; R435-M437 VanDerWaalsContact C-N 3.3Å; R435-M437 PolarHBondContact O-N 3.21Å; R435-F438 PolarHBondContact O-N 3.15Å; R435-E439 PolarHBondContact O-N 3.07Å |
| 436 | E | 48.4 | Very low | 44.7 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 60% | 0.603 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -63 | -33.9 | -176.3 | -63.9 | 179.7 | 131.6 | 0 | 0 | 112.9 | F438 E439 S440 | E436-F438 VanDerWaalsContact C-N 3.26Å; E436-F438 PolarHBondContact O-N 2.9Å; E436-E439 PolarHBondContact O-N 2.77Å; E436-S440 VanDerWaalsContact O-CB 3.3Å; E436-S440 WeakPolarHBondContact O-CB 3.24Å; E436-S440 PolarHBondContact O-N 2.95Å; E436-S440 PolarHBondContact O-OG 2.78Å |
| 437 | M | 53 | Low | 45 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 65% | 0.645 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -61.3 | -30.9 | 177.5 | -92.4 | -168.9 | -79.3 | 0 | 0 | 113.5 | S433 R435 | S433-M437 VanDerWaalsContact O-CE 3.27Å; S433-M437 WeakPolarHBondContact O-CE 3.46Å; R435-M437 VanDerWaalsContact C-N 3.3Å; R435-M437 PolarHBondContact O-N 3.21Å |
| 438 | F | 48.8 | Very low | 44.9 | Very low | 165 Ų | 165 | 140.6 Ų | 140.6 | 72% | 0.724 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -89.3 | -21.7 | 179.7 | -85.9 | -81.6 | 0 | 0 | 0 | 113.7 | R435 E436 | R435-F438 PolarHBondContact O-N 3.15Å; E436-F438 VanDerWaalsContact C-N 3.26Å; E436-F438 PolarHBondContact O-N 2.9Å |
| 439 | E | 50.7 | Low | 45.3 | Very low | 127 Ų | 127 | 138 Ų | 138 | 59% | 0.593 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -84.5 | -34.6 | 172.6 | -67.1 | -169.8 | 124.1 | 0 | 0 | 112.4 | R435 E436 Q441 R442 | R435-E439 PolarHBondContact O-N 3.07Å; E436-E439 PolarHBondContact O-N 2.77Å; E439-Q441 PolarHBondContact O-N 3.49Å; E439-R442 PolarHBondContact O-N 2.79Å |
| 440 | S | 45.3 | Very low | 45.2 | Very low | 92 Ų | 92 | 138.1 Ų | 138.1 | 64% | 0.643 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -17.9 | 176.2 | -60.8 | 0 | 0 | 0 | 0 | 114.1 | E436 | E436-S440 VanDerWaalsContact O-CB 3.3Å; E436-S440 WeakPolarHBondContact O-CB 3.24Å; E436-S440 PolarHBondContact O-N 2.95Å; E436-S440 PolarHBondContact O-OG 2.78Å |
| 441 | Q | 48.5 | Very low | 44.9 | Very low | 174 Ų | 174 | 140.9 Ų | 140.9 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 8.7 | 178.7 | -141.8 | 166.2 | 58.6 | 0 | 0 | 114 | E439 | E439-Q441 PolarHBondContact O-N 3.49Š|
| 442 | R | 47 | Very low | 44.6 | Very low | 231 Ų | 231 | 136 Ų | 136 | 87% | 0.872 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.4 | -15.4 | 173.8 | -93.4 | -167.5 | 170.7 | -148.3 | -1.6 | 115.6 | E439 | E439-R442 PolarHBondContact O-N 2.79Š|
| 443 | I | 46.5 | Very low | 44.2 | Very low | 148 Ų | 148 | 137 Ų | 137 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | trans | -107.3 | 84.9 | 177.7 | -55.2 | -179.6 | 0 | 0 | 0 | 108.1 | ||||
| 444 | G | 42.6 | Very low | 43.5 | Very low | 71 Ų | 71 | 141.2 Ų | 141.2 | 73% | 0.732 | 76% | 0.761 | S | S | * | * | trans | -131.7 | 19.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 445 | L | 46.4 | Very low | 42.8 | Very low | 153 Ų | 153 | 142.3 Ų | 142.3 | 80% | 0.801 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -140.8 | 145.7 | 173.2 | -70.7 | 175.6 | 0 | 0 | 0 | 108.9 | ||
| 446 | N | 41 | Very low | 42.2 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 62.4 | 84.7 | -177.3 | -57.9 | -19.2 | 0 | 0 | 0 | 115.6 | ||
| 447 | N | 36.3 | Very low | 41.8 | Very low | 168 Ų | 168 | 141.6 Ų | 141.6 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | 174.6 | 112.1 | 114.3 | -85.4 | -17.8 | 0 | 0 | 0 | 111.6 | |||||
| 448 | S | 34.3 | Very low | 41.1 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | -163 | 142.4 | 158.2 | -154.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 449 | P | 44.2 | Very low | 40.4 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | trans | -82.4 | 167.6 | -172.5 | 33.1 | -36.3 | 0 | 0 | 0 | 114.4 | ||||
| 450 | V | 36.7 | Very low | 40.1 | Very low | 151 Ų | 151 | 143.6 Ų | 143.6 | 92% | 0.915 | 81% | 0.812 | S | S | * | * | trans | -73 | 121.4 | -175.3 | -178.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 451 | N | 32.3 | Very low | 40.2 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | -164.4 | 156.3 | 144.8 | -153.5 | -6.1 | 0 | 0 | 0 | 112.3 | ||||
| 452 | G | 33 | Very low | 40.1 | Very low | 66 Ų | 66 | 142.4 Ų | 142.4 | 68% | 0.68 | 82% | 0.818 | S | S | * | * | trans | 98.1 | 113.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 453 | N | 39.2 | Very low | 39.7 | Very low | 159 Ų | 159 | 137 Ų | 137 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | trans | -67.1 | 149.5 | 168.2 | -78.7 | -32.4 | 0 | 0 | 0 | 112.4 | ||||
| 454 | N | 35.5 | Very low | 39.4 | Very low | 169 Ų | 169 | 138.6 Ų | 138.6 | 90% | 0.904 | 82% | 0.819 | S | S | * | * | -166.8 | 148.7 | 117.3 | -95.7 | -36.7 | 0 | 0 | 0 | 111.9 | |||||
| 455 | S | 39 | Very low | 39.1 | Very low | 107 Ų | 107 | 140.5 Ų | 140.5 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | trans | -106.7 | 130.4 | -168.8 | 59.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 456 | C | 38.1 | Very low | 39.1 | Very low | 133 Ų | 133 | 140.4 Ų | 140.4 | 90% | 0.899 | 82% | 0.82 | S | S | * | * | trans | -138 | 101.5 | 153 | -79.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 457 | Q | 39 | Very low | 39.1 | Very low | 172 Ų | 172 | 143.7 Ų | 143.7 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -77.2 | 137.1 | 169.1 | -71.3 | -176.5 | -15.5 | 0 | 0 | 109.9 | ||||
| 458 | M | 38.6 | Very low | 39.2 | Very low | 164 Ų | 164 | 147.5 Ų | 147.5 | 81% | 0.808 | 83% | 0.825 | S | S | * | * | trans | -136.6 | 118.3 | 162.1 | -81.9 | -72.7 | 108.1 | 0 | 0 | 108.3 | ||||
| 459 | S | 35.1 | Very low | 39.5 | Very low | 115 Ų | 115 | 148.4 Ų | 148.4 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | -86.6 | 127.6 | -170.6 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 460 | F | 43 | Very low | 39.5 | Very low | 186 Ų | 186 | 148.4 Ų | 148.4 | 82% | 0.816 | 83% | 0.828 | S | S | * | * | trans | -120.1 | 137.4 | 167.5 | -70.9 | -83.1 | 0 | 0 | 0 | 110 | ||||
| 461 | P | 48.3 | Very low | 39.7 | Very low | 116 Ų | 116 | 144.3 Ų | 144.3 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | -73.4 | 139.8 | 179.8 | 30 | -34.3 | 0 | 0 | 0 | 111.3 | S463 | P461-S463 PolarHBondContact O-N 2.86Š| ||
| 462 | P | 45.8 | Very low | 40 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -78.3 | 110.7 | -178.7 | 30.2 | -33.8 | 0 | 0 | 0 | 111.8 | ||||
| 463 | S | 39 | Very low | 40.4 | Very low | 116 Ų | 116 | 147.3 Ų | 147.3 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | trans | -73.8 | 135 | 158.7 | 49.4 | 0 | 0 | 0 | 0 | 109.6 | P461 | P461-S463 PolarHBondContact O-N 2.86Š| ||
| 464 | Q | 39.4 | Very low | 40.8 | Very low | 183 Ų | 183 | 146 Ų | 146 | 86% | 0.855 | 82% | 0.819 | S | S | * | * | trans | -75.4 | 132.2 | -173 | -64.4 | -166.7 | 9.7 | 0 | 0 | 112.3 | ||||
| 465 | S | 36.9 | Very low | 41.2 | Very low | 110 Ų | 110 | 147.7 Ų | 147.7 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -89.7 | 105.5 | 176 | -171.9 | 0 | 0 | 0 | 0 | 110.9 | Y467 | S465-Y467 VanDerWaalsContact C-N 3.3Å; S465-Y467 PolarHBondContact O-N 3.5Å; S465-Y467 VanDerWaalsContact O-N 3.09Å | ||
| 466 | I | 47.3 | Very low | 41.6 | Very low | 151 Ų | 151 | 148.6 Ų | 148.6 | 77% | 0.774 | 81% | 0.811 | S | S | * | * | trans | -85.9 | 67.7 | 179.5 | -47.8 | 179.3 | 0 | 0 | 0 | 110.4 | ||||
| 467 | Y | 40.1 | Very low | 42.1 | Very low | 217 Ų | 217 | 147.8 Ų | 147.8 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -145.7 | 116.6 | 161.9 | -86.5 | -72.3 | 0 | 0 | 0 | 111.3 | S465 | S465-Y467 VanDerWaalsContact C-N 3.3Å; S465-Y467 PolarHBondContact O-N 3.5Å; S465-Y467 VanDerWaalsContact O-N 3.09Å | ||
| 468 | R | 39 | Very low | 42.6 | Very low | 248 Ų | 248 | 144.2 Ų | 144.2 | 94% | 0.936 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 133.1 | 167.3 | -78.2 | -175.8 | 169.2 | -146.1 | -0.7 | 109.5 | ||
| 469 | T | 41 | Very low | 42.7 | Very low | 140 Ų | 140 | 145.4 Ų | 145.4 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 135.2 | 158.2 | 48.2 | 0 | 0 | 0 | 0 | 109.2 | ||
| 470 | S | 43.7 | Very low | 43.1 | Very low | 122 Ų | 122 | 152.9 Ų | 152.9 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 133.9 | 174 | -60.5 | 0 | 0 | 0 | 0 | 110 | ||
| 471 | G | 40.2 | Very low | 43.1 | Very low | 65 Ų | 65 | 151.3 Ų | 151.3 | 67% | 0.67 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 141.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F473 | G471-F473 PolarHBondContact O-N 3.11Š|
| 472 | A | 39.4 | Very low | 42.8 | Very low | 98 Ų | 98 | 153.1 Ų | 153.1 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | trans | -77.5 | 111.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | V474 | A472-V474 PolarHBondContact O-N 2.74Š| ||
| 473 | F | 41.8 | Very low | 42.7 | Very low | 197 Ų | 197 | 154.6 Ų | 154.6 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | -77.5 | 101.7 | 167.6 | -83 | -89.1 | 0 | 0 | 0 | 109.4 | G471 | G471-F473 PolarHBondContact O-N 3.11Š| ||
| 474 | V | 47.1 | Very low | 42.9 | Very low | 131 Ų | 131 | 156.9 Ų | 156.9 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 123 | 163.4 | 179.3 | 0 | 0 | 0 | 0 | 107.4 | A472 | A472-V474 PolarHBondContact O-N 2.74Š|
| 475 | Y | 44 | Very low | 43.1 | Very low | 204 Ų | 204 | 155.3 Ų | 155.3 | 80% | 0.8 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 118.7 | 166.9 | -106 | -97.2 | 0 | 0 | 0 | 108.5 | ||
| 476 | D | 46.8 | Very low | 43.5 | Very low | 127 Ų | 127 | 158.3 Ų | 158.3 | 68% | 0.679 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -84 | 134.3 | 163.9 | -161.6 | -23.4 | 0 | 0 | 0 | 108.9 | S478 | D476-S478 WeakPolarHBondContact OD1-CB 3.27Å; D476-S478 PolarHBondContact OD1-N 3.03Å; D476-S478 PolarHBondContact OD1-OG 2.96Å |
| 477 | C | 49.4 | Very low | 43.2 | Very low | 116 Ų | 116 | 158.8 Ų | 158.8 | 78% | 0.784 | 83% | 0.828 | S | S | * | * | trans | -122.8 | 32.3 | 179.3 | -73.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 478 | S | 48.8 | Very low | 43.5 | Very low | 97 Ų | 97 | 154.3 Ų | 154.3 | 68% | 0.678 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -119.3 | 79.8 | -178.4 | -57.7 | 0 | 0 | 0 | 0 | 113.9 | D476 | D476-S478 WeakPolarHBondContact OD1-CB 3.27Å; D476-S478 PolarHBondContact OD1-N 3.03Å; D476-S478 PolarHBondContact OD1-OG 2.96Å |
| 479 | K | 40.2 | Very low | 43.9 | Very low | 189 Ų | 189 | 146.5 Ų | 146.5 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | trans | 74.4 | 144.5 | 162.8 | -70.2 | -170.9 | 174.2 | -175.3 | 0 | 119.7 | ||||
| 480 | F | 44 | Very low | 44.1 | Very low | 272 Ų | 272 | 147.1 Ų | 147.1 | 100% | 1.193 | 81% | 0.813 | S | S | * | * | trans | 46.9 | 0 | 138.9 | -73.6 | -114.7 | 0 | 0 | 0 | 117.9 |
Retrieved 480 of 480 residues in 255.2 ms
(Link to these results)