| 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 | 48.4 | Very low | 51.9 | Low | 234 Ų | 234 | 166.1 Ų | 166.1 | 100% | 1.153 | 82% | 0.816 | S | S | * | * | 0 | 124.8 | 0 | -83.6 | -174.9 | 141.7 | 0 | 0 | 109.6 | |||||
| 2 | K | 48 | Very low | 51.7 | Low | 200 Ų | 200 | 171.2 Ų | 171.2 | 87% | 0.87 | 82% | 0.82 | S | S | * | * | trans | 53.8 | 97 | 152.6 | -59.5 | -178.6 | -179.3 | 178.6 | 0 | 119.9 | ||||
| 3 | S | 47.4 | Very low | 51.8 | Low | 106 Ų | 106 | 175.4 Ų | 175.4 | 74% | 0.741 | 83% | 0.825 | S | S | * | * | trans | -52.4 | 160.4 | 154.5 | -31.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 4 | N | 59.4 | Low | 51.8 | Low | 166 Ų | 166 | 177.3 Ų | 177.3 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | -164.6 | 126.3 | 124.8 | -89.3 | -21.8 | 0 | 0 | 0 | 112.5 | |||||
| 5 | K | 48.8 | Very low | 52 | Low | 185 Ų | 185 | 171.1 Ų | 171.1 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -116.7 | 133.6 | -179.8 | -179.9 | 175.7 | -173.1 | 173.7 | 0 | 105.5 | ||||
| 6 | T | 59.5 | Low | 52.6 | Low | 125 Ų | 125 | 169.3 Ų | 169.3 | 77% | 0.767 | 81% | 0.811 | S | S | * | * | trans | -138.5 | 118.4 | 170.4 | -39.1 | 0 | 0 | 0 | 0 | 110.3 | Y8 | T6-Y8 HydrophobicContact CG2-CD2 4.31Š| ||
| 7 | Q | 50.1 | Low | 52.3 | Low | 159 Ų | 159 | 167.8 Ų | 167.8 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | trans | -90.7 | 151.7 | 166 | -66.8 | -156.7 | -11.1 | 0 | 0 | 109.9 | ||||
| 8 | Y | 51.4 | Low | 52.7 | Low | 215 Ų | 215 | 170.6 Ų | 170.6 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | trans | -161.8 | 101.7 | 151.1 | -98.7 | -80.7 | 0 | 0 | 0 | 107.2 | T6 | T6-Y8 HydrophobicContact CG2-CD2 4.31Š| ||
| 9 | S | 55.9 | Low | 52.7 | Low | 81 Ų | 81 | 175.2 Ų | 175.2 | 57% | 0.566 | 82% | 0.824 | S | S | * | * | 89.6 | 118.5 | 80.4 | 93.9 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 10 | N | 45.9 | Very low | 52.9 | Low | 145 Ų | 145 | 170 Ų | 170 | 78% | 0.775 | 82% | 0.819 | S | S | * | * | trans | -31.1 | 141.7 | 167.3 | -61.1 | -70.5 | 0 | 0 | 0 | 118.4 | ||||
| 11 | Y | 55.6 | Low | 53.3 | Low | 211 Ų | 211 | 171.9 Ų | 171.9 | 83% | 0.827 | 82% | 0.824 | S | S | * | * | trans | -130 | 107.9 | 144.6 | -78.3 | -80 | 0 | 0 | 0 | 111 | ||||
| 12 | R | 49.6 | Very low | 53.2 | Low | 227 Ų | 227 | 171.5 Ų | 171.5 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | trans | -76 | 133.6 | 161.5 | -74.1 | 178.5 | 178.1 | 174.5 | -0.5 | 108.3 | ||||
| 13 | Y | 53.7 | Low | 53.8 | Low | 226 Ų | 226 | 169.8 Ų | 169.8 | 89% | 0.886 | 81% | 0.809 | S | S | * | * | trans | -121.8 | 131.2 | 153.2 | -98.5 | -88.9 | 0 | 0 | 0 | 110.9 | ||||
| 14 | R | 51.1 | Low | 54.1 | Low | 202 Ų | 202 | 172.8 Ų | 172.8 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | trans | -118.9 | 107.4 | -164.9 | -178.5 | -169.8 | -173.8 | -149.4 | 7 | 106.4 | ||||
| 15 | G | 55.3 | Low | 54 | Low | 84 Ų | 84 | 173.6 Ų | 173.6 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | -103.8 | 112.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 16 | K | 61.1 | Low | 54.1 | Low | 143 Ų | 143 | 169.5 Ų | 169.5 | 62% | 0.622 | 80% | 0.802 | S | S | * | * | trans | -85.4 | 141.6 | -177.2 | -68 | -176.2 | 176.3 | 176.6 | 0 | 112.2 | ||||
| 17 | N | 48.2 | Very low | 53.7 | Low | 144 Ų | 144 | 168.4 Ų | 168.4 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | 38.9 | 129.3 | 133.5 | -51 | -11 | 0 | 0 | 0 | 120 | ||||
| 18 | K | 59.5 | Low | 54 | Low | 217 Ų | 217 | 169.3 Ų | 169.3 | 94% | 0.943 | 80% | 0.797 | S | S | * | * | -155.9 | 118.8 | 128 | -105 | 166.9 | -168.7 | -171.4 | 0 | 111.7 | |||||
| 19 | R | 52.9 | Low | 54.2 | Low | 258 Ų | 258 | 165 Ų | 165 | 97% | 0.974 | 79% | 0.789 | S | S | * | * | trans | -76.6 | 153 | 170.7 | -87.2 | 174.1 | 162.1 | 179.1 | -5.3 | 110.7 | ||||
| 20 | G | 55.3 | Low | 54 | Low | 71 Ų | 71 | 168.6 Ų | 168.6 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | trans | 129.3 | 138.6 | 151.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 21 | K | 61.8 | Low | 53.8 | Low | 211 Ų | 211 | 165.3 Ų | 165.3 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | cis | -155 | 154.6 | -4 | -82 | -168 | 176.5 | -178.6 | 0 | 107.4 | ||||
| 22 | R | 46.3 | Very low | 53.7 | Low | 225 Ų | 225 | 164.7 Ų | 164.7 | 85% | 0.849 | 80% | 0.803 | S | S | * | * | trans | -70.3 | 142.1 | 169.1 | -74.7 | 162.6 | 108.4 | 176.7 | 5 | 111.2 | ||||
| 23 | L | 61 | Low | 53.7 | Low | 165 Ų | 165 | 159.9 Ų | 159.9 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -156.1 | 101.6 | 146.1 | -131.4 | 79.3 | 0 | 0 | 0 | 104.1 | ||||
| 24 | K | 54.7 | Low | 53.4 | Low | 169 Ų | 169 | 159.8 Ų | 159.8 | 74% | 0.735 | 79% | 0.794 | S | S | * | * | 44.9 | 104 | 78.7 | -81.4 | -155.7 | 175.3 | -170.4 | 0 | 114.7 | |||||
| 25 | E | 57.4 | Low | 53.5 | Low | 183 Ų | 183 | 156.8 Ų | 156.8 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | 161.1 | 103.2 | 133.8 | -89.8 | 147.1 | -166.5 | 0 | 0 | 107.9 | ||||
| 26 | S | 49.8 | Very low | 53.6 | Low | 98 Ų | 98 | 160 Ų | 160 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | 78.5 | 110.6 | 78.8 | -161.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 27 | T | 51.5 | Low | 53.1 | Low | 103 Ų | 103 | 159.6 Ų | 159.6 | 63% | 0.632 | 79% | 0.79 | S | S | * | * | trans | 79.7 | 128.1 | 138.6 | 47.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 28 | K | 55.1 | Low | 53.4 | Low | 178 Ų | 178 | 160.3 Ų | 160.3 | 77% | 0.774 | 79% | 0.794 | S | S | * | * | trans | 77 | 138.5 | 148.1 | -64 | 158.7 | -174.1 | 179.8 | 0 | 113.3 | ||||
| 29 | N | 55.8 | Low | 53.1 | Low | 125 Ų | 125 | 156.2 Ų | 156.2 | 67% | 0.668 | 79% | 0.787 | S | S | * | * | cis | 172.7 | 157.7 | 6.3 | 41.5 | -15.8 | 0 | 0 | 0 | 106.1 | ||||
| 30 | N | 52.7 | Low | 53 | Low | 156 Ų | 156 | 149.5 Ų | 149.5 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | trans | 78.7 | 122.2 | 159 | -61.6 | -11.7 | 0 | 0 | 0 | 118.9 | ||||
| 31 | G | 41.6 | Very low | 52.7 | Low | 76 Ų | 76 | 153.1 Ų | 153.1 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | trans | -67.8 | 158.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 32 | K | 52.7 | Low | 52.4 | Low | 197 Ų | 197 | 148.2 Ų | 148.2 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | trans | -161.9 | 127.4 | 155.5 | -112.6 | 172.8 | -178.5 | -179 | 0 | 108.7 | ||||
| 33 | L | 51 | Low | 52.7 | Low | 127 Ų | 127 | 144 Ų | 144 | 67% | 0.665 | 77% | 0.769 | S | S | * | * | trans | 43.4 | 112.2 | 148.6 | -89 | 81.9 | 0 | 0 | 0 | 118.4 | H35 | L33-H35 WeakPolarHBondContact CD2-NE2 3.47Å; L33-H35 PolarHBondContact O-N 3.22Å; L33-H35 VanDerWaalsContact O-N 3.1Å | ||
| 34 | Y | 46.5 | Very low | 52.1 | Low | 224 Ų | 224 | 143.9 Ų | 143.9 | 88% | 0.878 | 77% | 0.769 | S | S | * | * | trans | -59.6 | 105 | 147.7 | -70 | -87.3 | 0 | 0 | 0 | 109.4 | ||||
| 35 | H | 53.4 | Low | 51.8 | Low | 139 Ų | 139 | 141.3 Ų | 141.3 | 64% | 0.644 | 77% | 0.773 | S | S | * | * | trans | -105.1 | 104.7 | 154.4 | -82 | -65 | 0 | 0 | 0 | 107.6 | L33 N37 | L33-H35 WeakPolarHBondContact CD2-NE2 3.47Å; L33-H35 PolarHBondContact O-N 3.22Å; L33-H35 VanDerWaalsContact O-N 3.1Å; H35-N37 PolarHBondContact O-N 2.95Å | ||
| 36 | N | 57.8 | Low | 51.9 | Low | 151 Ų | 151 | 137.2 Ų | 137.2 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | trans | -75.4 | 99 | 165.8 | -86.3 | -9.7 | 0 | 0 | 0 | 108 | N38 | N36-N38 PolarHBondContact O-N 2.85Š| ||
| 37 | N | 51 | Low | 52.3 | Low | 134 Ų | 134 | 139.2 Ų | 139.2 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | trans | -78.5 | 93.3 | 165.8 | -68.1 | -24.4 | 0 | 0 | 0 | 108.3 | H35 T39 | H35-N37 PolarHBondContact O-N 2.95Å; N37-T39 VanDerWaalsContact C-N 3.32Å; N37-T39 PolarHBondContact O-N 2.78Å; N37-T39 VanDerWaalsContact O-N 3.14Å | ||
| 38 | N | 53.4 | Low | 52.6 | Low | 160 Ų | 160 | 141.8 Ų | 141.8 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | trans | -69.8 | 99.2 | 152.8 | -91.3 | -7.5 | 0 | 0 | 0 | 106.6 | N36 S40 | N36-N38 PolarHBondContact O-N 2.85Å; N38-S40 PolarHBondContact O-N 2.73Å; N38-S40 VanDerWaalsContact O-N 3.14Å | ||
| 39 | T | 52.4 | Low | 52.7 | Low | 131 Ų | 131 | 140.9 Ų | 140.9 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -67.9 | 103.8 | 171.9 | 51.5 | 0 | 0 | 0 | 0 | 108.4 | N37 D41 | N37-T39 VanDerWaalsContact C-N 3.32Å; N37-T39 PolarHBondContact O-N 2.78Å; N37-T39 VanDerWaalsContact O-N 3.14Å; T39-D41 PolarHBondContact O-N 2.73Å | ||
| 40 | S | 52.3 | Low | 52.9 | Low | 116 Ų | 116 | 143.7 Ų | 143.7 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -65.1 | 118.2 | 165.2 | 45.2 | 0 | 0 | 0 | 0 | 109.8 | N38 | N38-S40 PolarHBondContact O-N 2.73Å; N38-S40 VanDerWaalsContact O-N 3.14Å | ||
| 41 | D | 49.1 | Very low | 53.6 | Low | 148 Ų | 148 | 142.9 Ų | 142.9 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -107.2 | 103 | 164.1 | -142.7 | -11.9 | 0 | 0 | 0 | 108.8 | T39 | T39-D41 PolarHBondContact O-N 2.73Š| ||
| 42 | T | 54.2 | Low | 55.3 | Low | 107 Ų | 107 | 142.9 Ų | 142.9 | 66% | 0.656 | 76% | 0.756 | S | S | * | * | trans | 17.9 | 141.2 | 149.3 | 65.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 43 | T | 53.3 | Low | 56.8 | Low | 136 Ų | 136 | 136.7 Ų | 136.7 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | trans | 88.2 | 82.8 | 156.1 | 72.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 44 | D | 48 | Very low | 58.6 | Low | 163 Ų | 163 | 134.5 Ų | 134.5 | 87% | 0.872 | 73% | 0.733 | S | S | * | * | 179.3 | 117.5 | 108.2 | -159.1 | -2.3 | 0 | 0 | 0 | 108.3 | |||||
| 45 | S | 49.8 | Very low | 60.8 | Low | 115 Ų | 115 | 132.7 Ų | 132.7 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | -119.3 | 94.5 | -162.2 | 164.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 46 | S | 58.1 | Low | 62.7 | Low | 98 Ų | 98 | 129 Ų | 129 | 69% | 0.685 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -164.7 | -22.8 | 155.8 | 35 | 0 | 0 | 0 | 0 | 116.9 | ||
| 47 | D | 58.9 | Low | 64.5 | Low | 140 Ų | 140 | 126.6 Ų | 126.6 | 75% | 0.749 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -103.4 | -8.4 | -169 | -77.4 | -26.5 | 0 | 0 | 0 | 117.3 | H49 | D47-H49 VanDerWaalsContact C-N 3.34Å; D47-H49 PolarHBondContact O-N 2.94Å |
| 48 | E | 57.7 | Low | 66.6 | Low | 156 Ų | 156 | 126.3 Ų | 126.3 | 73% | 0.729 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -1 | -174.6 | -74.3 | -65.5 | 136 | 0 | 0 | 115.4 | ||
| 49 | H | 56.9 | Low | 68.7 | Low | 160 Ų | 160 | 122.3 Ų | 122.3 | 74% | 0.741 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -78.3 | -25.2 | -171.2 | -139.5 | -73.4 | 0 | 0 | 0 | 114.1 | D47 | D47-H49 VanDerWaalsContact C-N 3.34Å; D47-H49 PolarHBondContact O-N 2.94Å |
| 50 | F | 60.2 | Low | 70.8 | Confident | 183 Ų | 183 | 119 Ų | 119 | 80% | 0.803 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -78.2 | -38.5 | -176.6 | -83.5 | -81.5 | 0 | 0 | 0 | 113.5 | ||
| 51 | H | 68.3 | Low | 72.9 | Confident | 139 Ų | 139 | 117.8 Ų | 117.8 | 64% | 0.644 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -74.7 | -30.4 | 179.6 | -69.2 | -57.3 | 0 | 0 | 0 | 112.9 | S53 S54 R55 | H51-S53 VanDerWaalsContact C-N 3.35Å; H51-S53 PolarHBondContact O-N 2.85Å; H51-S54 PolarHBondContact O-N 3.04Å; H51-R55 WeakPolarHBondContact O-CB 3.32Å; H51-R55 PolarHBondContact O-N 3.31Å |
| 52 | S | 76.9 | Confident | 75.3 | Confident | 77 Ų | 77 | 114 Ų | 114 | 54% | 0.538 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -60.3 | -42 | 177.1 | -174.5 | 0 | 0 | 0 | 0 | 112.1 | R55 S56 | S52-R55 PolarHBondContact O-N 2.94Å; S52-S56 VanDerWaalsContact O-CB 3.24Å; S52-S56 WeakPolarHBondContact O-CB 3.47Å; S52-S56 PolarHBondContact O-N 3.49Å |
| 53 | S | 84.3 | Confident | 77.3 | Confident | 66 Ų | 66 | 114.4 Ų | 114.4 | 46% | 0.462 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.1 | -46 | 178.3 | -177.6 | 0 | 0 | 0 | 0 | 112.4 | H51 R55 S56 N57 | H51-S53 VanDerWaalsContact C-N 3.35Å; H51-S53 PolarHBondContact O-N 2.85Å; S53-R55 VanDerWaalsContact C-N 3.33Å; S53-R55 PolarHBondContact O-N 3.25Å; S53-S56 PolarHBondContact O-N 3.12Å; S53-N57 WeakPolarHBondContact O-CB 3.35Å; S53-N57 VanDerWaalsContact O-CG 3.25Å; S53-N57 PolarHBondContact O-N 3.12Å; S53-N57 PolarHBondContact O-ND2 3.36Å |
| 54 | S | 89.2 | Confident | 79.4 | Confident | 81 Ų | 81 | 110.9 Ų | 110.9 | 57% | 0.566 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.4 | -40.5 | 177.5 | -68.6 | 0 | 0 | 0 | 0 | 112.1 | H51 R58 | H51-S54 PolarHBondContact O-N 3.04Å; S54-R58 WeakPolarHBondContact O-CB 3.5Å; S54-R58 PolarHBondContact O-N 3.12Å; S54-R58 VanDerWaalsContact O-N 3.08Å |
| 55 | R | 91.5 | Very high | 81.8 | Confident | 186 Ų | 186 | 107.3 Ų | 107.3 | 70% | 0.702 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.1 | -41.8 | 175.2 | -173.7 | 176.4 | 178.4 | 164.2 | -0.4 | 111.8 | H51 S52 S53 R58 I59 | H51-R55 WeakPolarHBondContact O-CB 3.32Å; H51-R55 PolarHBondContact O-N 3.31Å; S52-R55 PolarHBondContact O-N 2.94Å; S53-R55 VanDerWaalsContact C-N 3.33Å; S53-R55 PolarHBondContact O-N 3.25Å; R55-R58 PolarHBondContact O-N 3.31Å; R55-I59 HydrophobicContact CG-CD1 4.01Å; R55-I59 VanDerWaalsContact O-CG1 3.26Å; R55-I59 WeakPolarHBondContact O-CG1 3.32Å; R55-I59 PolarHBondContact O-N 3.07Å |
| 56 | S | 93 | Very high | 84.1 | Confident | 61 Ų | 61 | 106 Ų | 106 | 43% | 0.427 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.5 | -48.8 | 176.6 | -171.1 | 0 | 0 | 0 | 0 | 111.2 | S52 S53 R58 I59 S60 | S52-S56 VanDerWaalsContact O-CB 3.24Å; S52-S56 WeakPolarHBondContact O-CB 3.47Å; S52-S56 PolarHBondContact O-N 3.49Å; S53-S56 PolarHBondContact O-N 3.12Å; S56-R58 VanDerWaalsContact C-N 3.29Å; S56-R58 PolarHBondContact O-N 2.84Å; S56-I59 WeakPolarHBondContact O-CB 3.45Å; S56-I59 PolarHBondContact O-N 2.82Å; S56-I59 VanDerWaalsContact O-N 3.08Å; S56-S60 PolarHBondContact O-N 2.92Å; S56-S60 PolarHBondContact O-OG 3.3Å |
| 57 | N | 95.4 | Very high | 86.1 | Confident | 101 Ų | 101 | 104.6 Ų | 104.6 | 54% | 0.54 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.4 | -41.5 | 175.9 | -69.1 | -25.7 | 0 | 0 | 0 | 112.1 | S53 S60 Q61 | S53-N57 WeakPolarHBondContact O-CB 3.35Å; S53-N57 VanDerWaalsContact O-CG 3.25Å; S53-N57 PolarHBondContact O-N 3.12Å; S53-N57 PolarHBondContact O-ND2 3.36Å; N57-S60 PolarHBondContact O-N 3.01Å; N57-Q61 PolarHBondContact O-N 3.04Å |
| 58 | R | 96.6 | Very high | 87.9 | Confident | 128 Ų | 128 | 104.5 Ų | 104.5 | 48% | 0.483 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65 | -40.4 | 176.1 | -176.7 | 57.3 | 174.8 | 170 | 3 | 112.1 | S54 R55 S56 Q61 L62 | S54-R58 WeakPolarHBondContact O-CB 3.5Å; S54-R58 PolarHBondContact O-N 3.12Å; S54-R58 VanDerWaalsContact O-N 3.08Å; R55-R58 PolarHBondContact O-N 3.31Å; S56-R58 VanDerWaalsContact C-N 3.29Å; S56-R58 PolarHBondContact O-N 2.84Å; R58-Q61 PolarHBondContact O-N 3.37Å; R58-L62 HydrophobicContact CG-CD1 4.34Å; R58-L62 VanDerWaalsContact O-CG 3.29Å; R58-L62 WeakPolarHBondContact O-CG 3.44Å; R58-L62 PolarHBondContact O-N 3.46Å; R58-L62 VanDerWaalsContact O-N 3.09Å |
| 59 | I | 95.6 | Very high | 89.9 | Confident | 77 Ų | 77 | 101.1 Ų | 101.1 | 40% | 0.395 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -48.6 | 175.3 | -68.9 | 162.8 | 0 | 0 | 0 | 109.9 | R55 S56 Q61 L62 E63 | R55-I59 HydrophobicContact CG-CD1 4.01Å; R55-I59 VanDerWaalsContact O-CG1 3.26Å; R55-I59 WeakPolarHBondContact O-CG1 3.32Å; R55-I59 PolarHBondContact O-N 3.07Å; S56-I59 WeakPolarHBondContact O-CB 3.45Å; S56-I59 PolarHBondContact O-N 2.82Å; S56-I59 VanDerWaalsContact O-N 3.08Å; I59-Q61 VanDerWaalsContact C-N 3.31Å; I59-Q61 PolarHBondContact O-N 2.94Å; I59-L62 PolarHBondContact O-N 2.97Å; I59-L62 VanDerWaalsContact O-N 3.1Å; I59-E63 HydrophobicContact CG2-CG 4.29Å; I59-E63 WeakPolarHBondContact O-CG 3.41Å; I59-E63 PolarHBondContact O-N 3.26Å |
| 60 | S | 97 | Very high | 91.8 | Very high | 60 Ų | 60 | 101.9 Ų | 101.9 | 42% | 0.42 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.5 | -39 | 177.9 | -58 | 0 | 0 | 0 | 0 | 113 | S56 N57 E63 A64 | S56-S60 PolarHBondContact O-N 2.92Å; S56-S60 PolarHBondContact O-OG 3.3Å; N57-S60 PolarHBondContact O-N 3.01Å; S60-E63 PolarHBondContact O-N 2.76Å; S60-A64 PolarHBondContact O-N 2.84Å |
| 61 | Q | 97.8 | Very high | 93.6 | Very high | 92 Ų | 92 | 96.9 Ų | 96.9 | 43% | 0.43 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.3 | -47 | 173.7 | -176.9 | -173.2 | 2.2 | 0 | 0 | 111.7 | N57 R58 I59 E63 A64 E65 | N57-Q61 PolarHBondContact O-N 3.04Å; R58-Q61 PolarHBondContact O-N 3.37Å; I59-Q61 VanDerWaalsContact C-N 3.31Å; I59-Q61 PolarHBondContact O-N 2.94Å; Q61-E63 VanDerWaalsContact C-N 3.33Å; Q61-E63 PolarHBondContact O-N 3.4Å; Q61-A64 PolarHBondContact O-N 3.35Å; Q61-E65 PolarHBondContact NE2-OE1 2.94Å; Q61-E65 PolarHBondContact O-N 3.48Å |
| 62 | L | 98.4 | Very high | 95.1 | Very high | 69 Ų | 69 | 94.7 Ų | 94.7 | 36% | 0.361 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.3 | -37.1 | 179.3 | -68.5 | 171.9 | 0 | 0 | 0 | 111.7 | R58 I59 E65 I66 | R58-L62 HydrophobicContact CG-CD1 4.34Å; R58-L62 VanDerWaalsContact O-CG 3.29Å; R58-L62 WeakPolarHBondContact O-CG 3.44Å; R58-L62 PolarHBondContact O-N 3.46Å; R58-L62 VanDerWaalsContact O-N 3.09Å; I59-L62 PolarHBondContact O-N 2.97Å; I59-L62 VanDerWaalsContact O-N 3.1Å; L62-E65 PolarHBondContact O-N 3.08Å; L62-I66 WeakPolarHBondContact O-CB 3.43Å; L62-I66 VanDerWaalsContact O-CG1 3.24Å; L62-I66 WeakPolarHBondContact O-CG1 3.35Å; L62-I66 PolarHBondContact O-N 3.05Å |
| 63 | E | 96.9 | Very high | 96.1 | Very high | 114 Ų | 114 | 96 Ų | 96 | 53% | 0.533 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | 174.7 | -72.7 | 174.8 | 168.4 | 0 | 0 | 112.1 | I59 S60 Q61 S67 | I59-E63 HydrophobicContact CG2-CG 4.29Å; I59-E63 WeakPolarHBondContact O-CG 3.41Å; I59-E63 PolarHBondContact O-N 3.26Å; S60-E63 PolarHBondContact O-N 2.76Å; Q61-E63 VanDerWaalsContact C-N 3.33Å; Q61-E63 PolarHBondContact O-N 3.4Å; E63-S67 WeakPolarHBondContact O-CB 3.37Å; E63-S67 PolarHBondContact O-N 3.37Å; E63-S67 PolarHBondContact O-OG 2.95Å |
| 64 | A | 97.7 | Very high | 96.7 | Very high | 63 Ų | 63 | 95.3 Ų | 95.3 | 52% | 0.521 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | S60 Q61 S67 R68 | S60-A64 PolarHBondContact O-N 2.84Å; Q61-A64 PolarHBondContact O-N 3.35Å; A64-S67 PolarHBondContact O-N 3.37Å; A64-R68 PolarHBondContact O-N 3.2Å |
| 65 | E | 98.2 | Very high | 97 | Very high | 88 Ų | 88 | 98.1 Ų | 98.1 | 41% | 0.411 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 176.5 | -73.6 | 179.4 | -154.3 | 0 | 0 | 112.2 | Q61 L62 S67 R68 L69 | Q61-E65 PolarHBondContact NE2-OE1 2.94Å; Q61-E65 PolarHBondContact O-N 3.48Å; L62-E65 PolarHBondContact O-N 3.08Å; E65-S67 VanDerWaalsContact C-N 3.33Å; E65-S67 PolarHBondContact O-N 2.89Å; E65-R68 WeakPolarHBondContact O-CB 3.43Å; E65-R68 PolarHBondContact O-N 2.86Å; E65-L69 WeakPolarHBondContact O-CG 3.37Å; E65-L69 PolarHBondContact O-N 2.89Å |
| 66 | I | 98.3 | Very high | 97.3 | Very high | 86 Ų | 86 | 94.3 Ų | 94.3 | 44% | 0.441 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 175.6 | -71.3 | 167.4 | 0 | 0 | 0 | 110.7 | L62 L69 R70 | L62-I66 WeakPolarHBondContact O-CB 3.43Å; L62-I66 VanDerWaalsContact O-CG1 3.24Å; L62-I66 WeakPolarHBondContact O-CG1 3.35Å; L62-I66 PolarHBondContact O-N 3.05Å; I66-L69 PolarHBondContact O-N 3.27Å; I66-R70 HydrophobicContact CG2-CG 4.39Å; I66-R70 WeakPolarHBondContact O-CB 3.24Å; I66-R70 VanDerWaalsContact O-CG 3.29Å; I66-R70 WeakPolarHBondContact O-CG 3.29Å; I66-R70 PolarHBondContact O-N 3.46Å |
| 67 | S | 98.3 | Very high | 97.4 | Very high | 70 Ų | 70 | 95.1 Ų | 95.1 | 49% | 0.49 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 176.8 | -61.2 | 0 | 0 | 0 | 0 | 111.7 | E63 A64 E65 R70 S71 | E63-S67 WeakPolarHBondContact O-CB 3.37Å; E63-S67 PolarHBondContact O-N 3.37Å; E63-S67 PolarHBondContact O-OG 2.95Å; A64-S67 PolarHBondContact O-N 3.37Å; E65-S67 VanDerWaalsContact C-N 3.33Å; E65-S67 PolarHBondContact O-N 2.89Å; S67-R70 PolarHBondContact O-N 2.95Å; S67-S71 PolarHBondContact O-N 3.33Å |
| 68 | R | 98.3 | Very high | 97.2 | Very high | 138 Ų | 138 | 93.7 Ų | 93.7 | 52% | 0.521 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.5 | -48.4 | 173.7 | -167.5 | -173.4 | 77.8 | 75.5 | 4.5 | 111.6 | A64 E65 S71 Q72 | A64-R68 PolarHBondContact O-N 3.2Å; E65-R68 WeakPolarHBondContact O-CB 3.43Å; E65-R68 PolarHBondContact O-N 2.86Å; R68-S71 PolarHBondContact O-N 3.03Å; R68-Q72 VanDerWaalsContact NH1-CD 3.26Å; R68-Q72 VanDerWaalsContact NH1-NE2 3.12Å; R68-Q72 VanDerWaalsContact NH1-OE1 3.11Å; R68-Q72 WeakPolarHBondContact O-CG 3.36Å; R68-Q72 PolarHBondContact O-N 2.96Å |
| 69 | L | 98.7 | Very high | 96.9 | Very high | 85 Ų | 85 | 90.6 Ų | 90.6 | 45% | 0.445 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 178.7 | -69.7 | 174.9 | 0 | 0 | 0 | 112.1 | E65 I66 S71 Q72 I73 | E65-L69 WeakPolarHBondContact O-CG 3.37Å; E65-L69 PolarHBondContact O-N 2.89Å; I66-L69 PolarHBondContact O-N 3.27Å; L69-S71 VanDerWaalsContact C-N 3.33Å; L69-S71 PolarHBondContact O-N 3Å; L69-Q72 PolarHBondContact O-N 3.46Å; L69-I73 WeakPolarHBondContact O-CG1 3.35Å; L69-I73 PolarHBondContact O-N 2.9Å |
| 70 | R | 98 | Very high | 96.6 | Very high | 176 Ų | 176 | 92.2 Ų | 92.2 | 66% | 0.664 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.6 | -42 | 175.2 | -76.8 | 175.7 | 174.2 | -178.8 | -0.7 | 111.9 | I66 S67 I73 A74 | I66-R70 HydrophobicContact CG2-CG 4.39Å; I66-R70 WeakPolarHBondContact O-CB 3.24Å; I66-R70 VanDerWaalsContact O-CG 3.29Å; I66-R70 WeakPolarHBondContact O-CG 3.29Å; I66-R70 PolarHBondContact O-N 3.46Å; S67-R70 PolarHBondContact O-N 2.95Å; R70-I73 PolarHBondContact O-N 3.35Å; R70-A74 WeakPolarHBondContact O-CB 3.41Å; R70-A74 PolarHBondContact O-N 2.95Å |
| 71 | S | 98 | Very high | 95.9 | Very high | 78 Ų | 78 | 96.3 Ų | 96.3 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 175.3 | 177.6 | 0 | 0 | 0 | 0 | 112.2 | S67 R68 L69 A74 Q75 | S67-S71 PolarHBondContact O-N 3.33Å; R68-S71 PolarHBondContact O-N 3.03Å; L69-S71 VanDerWaalsContact C-N 3.33Å; L69-S71 PolarHBondContact O-N 3Å; S71-A74 PolarHBondContact O-N 2.82Å; S71-Q75 WeakPolarHBondContact O-CB 3.3Å; S71-Q75 PolarHBondContact O-N 3.03Å |
| 72 | Q | 98.3 | Very high | 94.6 | Very high | 93 Ų | 93 | 99 Ų | 99 | 44% | 0.435 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 176.2 | -70.3 | -174.2 | -55.2 | 0 | 0 | 112.5 | R68 L69 Q75 L76 | R68-Q72 VanDerWaalsContact NH1-CD 3.26Å; R68-Q72 VanDerWaalsContact NH1-NE2 3.12Å; R68-Q72 VanDerWaalsContact NH1-OE1 3.11Å; R68-Q72 WeakPolarHBondContact O-CG 3.36Å; R68-Q72 PolarHBondContact O-N 2.96Å; L69-Q72 PolarHBondContact O-N 3.46Å; Q72-Q75 PolarHBondContact O-N 3.25Å; Q72-L76 PolarHBondContact O-N 3.39Å |
| 73 | I | 97.8 | Very high | 92.8 | Very high | 104 Ų | 104 | 98.3 Ų | 98.3 | 53% | 0.533 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 176.6 | -67.7 | 167.2 | 0 | 0 | 0 | 110.3 | L69 R70 Q75 L76 I77 | L69-I73 WeakPolarHBondContact O-CG1 3.35Å; L69-I73 PolarHBondContact O-N 2.9Å; R70-I73 PolarHBondContact O-N 3.35Å; I73-Q75 VanDerWaalsContact C-N 3.3Å; I73-Q75 PolarHBondContact O-N 3.13Å; I73-L76 PolarHBondContact O-N 3.09Å; I73-I77 HydrophobicContact CG2-CD1 3.73Å; I73-I77 HydrophobicContact CG2-CG1 4.35Å; I73-I77 WeakPolarHBondContact O-CG1 3.19Å; I73-I77 PolarHBondContact O-N 3.33Å |
| 74 | A | 97.6 | Very high | 90.6 | Very high | 51 Ų | 51 | 101.2 Ų | 101.2 | 42% | 0.421 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59 | -42.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | R70 S71 L76 I77 S78 | R70-A74 WeakPolarHBondContact O-CB 3.41Å; R70-A74 PolarHBondContact O-N 2.95Å; S71-A74 PolarHBondContact O-N 2.82Å; A74-L76 PolarHBondContact O-N 3.1Å; A74-I77 PolarHBondContact O-N 3.41Å; A74-S78 WeakPolarHBondContact O-CB 3.3Å; A74-S78 PolarHBondContact O-N 2.89Å; A74-S78 PolarHBondContact O-OG 3.48Å; A74-S78 VanDerWaalsContact O-OG 3.08Å |
| 75 | Q | 96.3 | Very high | 88.2 | Confident | 141 Ų | 141 | 103 Ų | 103 | 66% | 0.659 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.5 | -41.5 | 176 | -171.8 | 177.5 | 20.9 | 0 | 0 | 112.5 | S71 Q72 I73 S78 A79 | S71-Q75 WeakPolarHBondContact O-CB 3.3Å; S71-Q75 PolarHBondContact O-N 3.03Å; Q72-Q75 PolarHBondContact O-N 3.25Å; I73-Q75 VanDerWaalsContact C-N 3.3Å; I73-Q75 PolarHBondContact O-N 3.13Å; Q75-S78 PolarHBondContact O-N 2.94Å; Q75-A79 WeakPolarHBondContact O-CB 3.28Å; Q75-A79 PolarHBondContact O-N 2.7Å |
| 76 | L | 96.2 | Very high | 85.6 | Confident | 106 Ų | 106 | 104 Ų | 104 | 56% | 0.555 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.9 | -43.1 | 177.4 | -171.5 | 71.9 | 0 | 0 | 0 | 111.6 | Q72 I73 A74 A79 Q80 | Q72-L76 PolarHBondContact O-N 3.39Å; I73-L76 PolarHBondContact O-N 3.09Å; A74-L76 PolarHBondContact O-N 3.1Å; L76-A79 PolarHBondContact O-N 2.98Å; L76-Q80 WeakPolarHBondContact O-CG 3.4Å; L76-Q80 PolarHBondContact O-N 3.45Å |
| 77 | I | 95.9 | Very high | 83.1 | Confident | 77 Ų | 77 | 106.2 Ų | 106.2 | 40% | 0.395 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.5 | -47.6 | 176.3 | -67.4 | 169.3 | 0 | 0 | 0 | 109.9 | I73 A74 A79 Q80 E81 | I73-I77 HydrophobicContact CG2-CD1 3.73Å; I73-I77 HydrophobicContact CG2-CG1 4.35Å; I73-I77 WeakPolarHBondContact O-CG1 3.19Å; I73-I77 PolarHBondContact O-N 3.33Å; A74-I77 PolarHBondContact O-N 3.41Å; I77-A79 VanDerWaalsContact C-N 3.3Å; I77-A79 PolarHBondContact O-N 3Å; I77-Q80 PolarHBondContact O-N 3.06Å; I77-Q80 VanDerWaalsContact O-N 3.12Å; I77-E81 HydrophobicContact CG2-CG 4.31Å; I77-E81 WeakPolarHBondContact O-CG 3.46Å; I77-E81 PolarHBondContact O-N 2.78Å |
| 78 | S | 92.2 | Very high | 80.5 | Confident | 71 Ų | 71 | 107.7 Ų | 107.7 | 50% | 0.497 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62 | -36.3 | 176.7 | -62 | 0 | 0 | 0 | 0 | 112.7 | A74 Q75 L82 | A74-S78 WeakPolarHBondContact O-CB 3.3Å; A74-S78 PolarHBondContact O-N 2.89Å; A74-S78 PolarHBondContact O-OG 3.48Å; A74-S78 VanDerWaalsContact O-OG 3.08Å; Q75-S78 PolarHBondContact O-N 2.94Å; S78-L82 PolarHBondContact O-N 3.28Å; S78-L82 VanDerWaalsContact O-N 3.12Å |
| 79 | A | 88.7 | Confident | 77.8 | Confident | 63 Ų | 63 | 108.7 Ų | 108.7 | 52% | 0.521 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.7 | -33.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q75 L76 I77 G83 | Q75-A79 WeakPolarHBondContact O-CB 3.28Å; Q75-A79 PolarHBondContact O-N 2.7Å; L76-A79 PolarHBondContact O-N 2.98Å; I77-A79 VanDerWaalsContact C-N 3.3Å; I77-A79 PolarHBondContact O-N 3Å; A79-G83 PolarHBondContact O-N 3.21Å |
| 80 | Q | 89.7 | Confident | 75.6 | Confident | 111 Ų | 111 | 111.8 Ų | 111.8 | 52% | 0.519 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -72.5 | -43.8 | 174.4 | -73.6 | 175 | -17.5 | 0 | 0 | 111.6 | L76 I77 L82 G83 E84 | L76-Q80 WeakPolarHBondContact O-CG 3.4Å; L76-Q80 PolarHBondContact O-N 3.45Å; I77-Q80 PolarHBondContact O-N 3.06Å; I77-Q80 VanDerWaalsContact O-N 3.12Å; Q80-L82 VanDerWaalsContact C-N 3.25Å; Q80-L82 PolarHBondContact O-N 2.88Å; Q80-G83 PolarHBondContact O-N 3.44Å; Q80-G83 VanDerWaalsContact O-N 3.12Å; Q80-E84 PolarHBondContact O-N 3.43Å |
| 81 | E | 81.7 | Confident | 72.8 | Confident | 146 Ų | 146 | 106.9 Ų | 106.9 | 68% | 0.682 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -62.6 | -30.6 | 177.1 | -73.3 | 179.4 | 176.1 | 0 | 0 | 112.6 | I77 | I77-E81 HydrophobicContact CG2-CG 4.31Å; I77-E81 WeakPolarHBondContact O-CG 3.46Å; I77-E81 PolarHBondContact O-N 2.78Å |
| 82 | L | 71 | Confident | 70.5 | Confident | 149 Ų | 149 | 115 Ų | 115 | 78% | 0.78 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -85.4 | -25.8 | 173.5 | -124.4 | 74.9 | 0 | 0 | 0 | 113.5 | S78 Q80 | S78-L82 PolarHBondContact O-N 3.28Å; S78-L82 VanDerWaalsContact O-N 3.12Å; Q80-L82 VanDerWaalsContact C-N 3.25Å; Q80-L82 PolarHBondContact O-N 2.88Å |
| 83 | G | 61.2 | Low | 68.1 | Low | 55 Ų | 55 | 118.2 Ų | 118.2 | 57% | 0.567 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -87.3 | -19.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | A79 Q80 S85 | A79-G83 PolarHBondContact O-N 3.21Å; Q80-G83 PolarHBondContact O-N 3.44Å; Q80-G83 VanDerWaalsContact O-N 3.12Å; G83-S85 VanDerWaalsContact C-N 3.31Å; G83-S85 PolarHBondContact O-N 3.22Å |
| 84 | E | 51.5 | Low | 65.6 | Low | 174 Ų | 174 | 123.5 Ų | 123.5 | 81% | 0.813 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -92.6 | 59.7 | 174.1 | -61.9 | -153.5 | 169.8 | 0 | 0 | 111.5 | Q80 | Q80-E84 PolarHBondContact O-N 3.43Š|
| 85 | S | 46.6 | Very low | 63.4 | Low | 102 Ų | 102 | 129.7 Ų | 129.7 | 71% | 0.713 | 70% | 0.702 | S | S | * | * | trans | -150.1 | 38 | 167.4 | 59.7 | 0 | 0 | 0 | 0 | 112.8 | G83 | G83-S85 VanDerWaalsContact C-N 3.31Å; G83-S85 PolarHBondContact O-N 3.22Å | ||
| 86 | S | 44.2 | Very low | 61.3 | Low | 107 Ų | 107 | 128.2 Ų | 128.2 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | trans | -144.4 | 60.7 | 169.5 | -155.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 87 | T | 44 | Very low | 59.1 | Low | 134 Ų | 134 | 132.1 Ų | 132.1 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | trans | -96.2 | 98.8 | 141.8 | 55.2 | 0 | 0 | 0 | 0 | 105.8 | D89 | T87-D89 PolarHBondContact O-N 2.91Š| ||
| 88 | C | 45.4 | Very low | 56.8 | Low | 100 Ų | 100 | 139.9 Ų | 139.9 | 68% | 0.676 | 74% | 0.744 | S | S | * | * | trans | -56.5 | 93.7 | 163.1 | 46.2 | 0 | 0 | 0 | 0 | 108.6 | L90 | C88-L90 HydrophobicContact CB-CD1 4.27Å; C88-L90 HydrophobicContact CB-CG 4.31Å; C88-L90 PolarHBondContact O-N 3.34Å | ||
| 89 | D | 41.6 | Very low | 55.1 | Low | 159 Ų | 159 | 141.6 Ų | 141.6 | 85% | 0.85 | 75% | 0.753 | S | S | * | * | trans | -74 | 70.3 | 162.3 | -162.2 | 5.4 | 0 | 0 | 0 | 107.5 | T87 | T87-D89 PolarHBondContact O-N 2.91Š| ||
| 90 | L | 52.2 | Low | 53.1 | Low | 151 Ų | 151 | 146.1 Ų | 146.1 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -95.2 | 102.3 | 170.2 | -77.9 | 171.7 | 0 | 0 | 0 | 107.6 | C88 | C88-L90 HydrophobicContact CB-CD1 4.27Å; C88-L90 HydrophobicContact CB-CG 4.31Å; C88-L90 PolarHBondContact O-N 3.34Å | ||
| 91 | G | 39.2 | Very low | 51.7 | Low | 72 Ų | 72 | 145.6 Ų | 145.6 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | 55.6 | 88.2 | 142.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 92 | R | 48.2 | Very low | 50.5 | Low | 248 Ų | 248 | 146.1 Ų | 146.1 | 94% | 0.936 | 79% | 0.791 | S | S | * | * | trans | -128.9 | 43.1 | 159.1 | -153.4 | 171.6 | -176.8 | 174.4 | 0.4 | 112.8 | ||||
| 93 | D | 48 | Very low | 50.1 | Low | 162 Ų | 162 | 142.7 Ų | 142.7 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | trans | -83.5 | 119 | 146 | -85.7 | -30.7 | 0 | 0 | 0 | 107.1 | ||||
| 94 | R | 45.2 | Very low | 49.7 | Very low | 214 Ų | 214 | 149.2 Ų | 149.2 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | trans | 150.2 | 90.1 | 151.3 | -168.3 | 168.9 | -73.8 | -128.9 | 1.5 | 113.7 | ||||
| 95 | F | 52.1 | Low | 49.9 | Very low | 182 Ų | 182 | 147 Ų | 147 | 80% | 0.798 | 81% | 0.811 | S | S | * | * | trans | 69.6 | 156.5 | 147.3 | -58.4 | -58.7 | 0 | 0 | 0 | 121.2 | ||||
| 96 | P | 52.2 | Low | 50 | Low | 109 Ų | 109 | 149.2 Ų | 149.2 | 71% | 0.708 | 82% | 0.815 | S | S | * | * | -136.9 | 169.1 | -55.5 | 37.1 | -19.8 | 0 | 0 | 0 | 113.1 | |||||
| 97 | H | 49.3 | Very low | 50.3 | Low | 188 Ų | 188 | 150.1 Ų | 150.1 | 87% | 0.87 | 82% | 0.816 | S | S | * | * | trans | 7.1 | 126.9 | 155.2 | -91.8 | -73.5 | 0 | 0 | 0 | 119.2 | ||||
| 98 | R | 48.6 | Very low | 50.5 | Low | 241 Ų | 241 | 148.1 Ų | 148.1 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | -128.2 | 130.2 | 149.9 | -149 | 170.5 | -173.4 | -168.8 | 0.9 | 109.5 | ||||
| 99 | P | 55.7 | Low | 50.6 | Low | 107 Ų | 107 | 151.1 Ų | 151.1 | 70% | 0.695 | 82% | 0.821 | S | S | * | * | trans | -84.9 | 170.7 | -167 | 36.1 | -35.8 | 0 | 0 | 0 | 112.4 | ||||
| 100 | D | 47.3 | Very low | 50.8 | Low | 157 Ų | 157 | 148 Ų | 148 | 84% | 0.84 | 82% | 0.817 | S | S | * | * | trans | -43.9 | 141.2 | -179.1 | -50.6 | -69.9 | 0 | 0 | 0 | 114.7 | ||||
| 101 | A | 59.7 | Low | 50.6 | Low | 101 Ų | 101 | 144.7 Ų | 144.7 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | -136.9 | 92.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 102 | D | 57.3 | Low | 51 | Low | 156 Ų | 156 | 148.2 Ų | 148.2 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | trans | -65.7 | 145.9 | 154 | 51.5 | -20 | 0 | 0 | 0 | 110.8 | ||||
| 103 | G | 61.9 | Low | 50.8 | Low | 78 Ų | 78 | 140 Ų | 140 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | 168.9 | 76.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 104 | E | 52.7 | Low | 50.7 | Low | 191 Ų | 191 | 138 Ų | 138 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | trans | -58.2 | 149.3 | 162.9 | -61.4 | 170.6 | 130.2 | 0 | 0 | 111 | ||||
| 105 | S | 57 | Low | 51.1 | Low | 128 Ų | 128 | 133.7 Ų | 133.7 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | -177.2 | 135.8 | 136.1 | -78.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 106 | D | 48.8 | Very low | 50.6 | Low | 149 Ų | 149 | 130.1 Ų | 130.1 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | -76 | 174 | -172.1 | -76.9 | -51.9 | 0 | 0 | 0 | 116.7 | ||||
| 107 | T | 50.3 | Low | 50.1 | Low | 126 Ų | 126 | 132 Ų | 132 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | 90.3 | 112.9 | 141.6 | 60.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 108 | A | 47.4 | Very low | 50.3 | Low | 92 Ų | 92 | 131.8 Ų | 131.8 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | trans | 64.3 | 150.5 | 130.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 109 | I | 47.7 | Very low | 49.9 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | cis | -164.7 | 144.5 | 35.8 | -22.5 | -177.6 | 0 | 0 | 0 | 107.9 | ||||
| 110 | A | 46.4 | Very low | 49.7 | Very low | 92 Ų | 92 | 131 Ų | 131 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | trans | 13.6 | 154.6 | 149.4 | 0 | 0 | 0 | 0 | 0 | 125 | ||||
| 111 | A | 48.1 | Very low | 49.8 | Very low | 82 Ų | 82 | 129.8 Ų | 129.8 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | trans | 96.5 | 96.5 | 136.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 112 | T | 47.6 | Very low | 49.2 | Very low | 146 Ų | 146 | 132.6 Ų | 132.6 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | 77.9 | 121.4 | 96.4 | 52.5 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 113 | G | 44 | Very low | 48.9 | Very low | 77 Ų | 77 | 131.8 Ų | 131.8 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | 139.9 | 104.8 | 152.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 114 | S | 45.5 | Very low | 48.1 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | -116.5 | -178.8 | 151.1 | -50.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 115 | P | 54 | Low | 47.9 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | cis | -140.7 | -159.5 | -3.5 | 36.1 | -12.8 | 0 | 0 | 0 | 113.2 | ||||
| 116 | S | 42.2 | Very low | 47.4 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | 111.2 | 108 | 148.5 | -156.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 117 | L | 40.7 | Very low | 47.7 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | 83.2 | 113.5 | 75 | -136.1 | -178.8 | 0 | 0 | 0 | 113.4 | |||||
| 118 | M | 53 | Low | 47.5 | Very low | 183 Ų | 183 | 140.8 Ų | 140.8 | 90% | 0.901 | 80% | 0.802 | S | S | * | * | trans | -154.8 | 128.4 | 156 | -140.8 | 149.9 | 84.3 | 0 | 0 | 111.8 | ||||
| 119 | E | 39.9 | Very low | 47.6 | Very low | 167 Ų | 167 | 144 Ų | 144 | 78% | 0.78 | 81% | 0.806 | S | S | * | * | trans | -84.1 | 164.1 | 177.1 | -68.5 | -173.3 | 134.2 | 0 | 0 | 112.9 | ||||
| 120 | H | 53.4 | Low | 47.6 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | trans | -169 | 121.4 | 139.4 | -98.6 | -64.8 | 0 | 0 | 0 | 112.6 | ||||
| 121 | D | 48.4 | Very low | 47.4 | Very low | 131 Ų | 131 | 146 Ų | 146 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | 29.3 | 156.1 | 125.7 | -61.5 | -32.5 | 0 | 0 | 0 | 121.5 | |||||
| 122 | E | 47.9 | Very low | 47.1 | Very low | 160 Ų | 160 | 146.9 Ų | 146.9 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | cis | -176.9 | 171 | -10.3 | -96.1 | -119.5 | 135.6 | 0 | 0 | 105.4 | ||||
| 123 | T | 50 | Low | 47.1 | Very low | 138 Ų | 138 | 147.2 Ų | 147.2 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | trans | 119.1 | 125.3 | 149.4 | 71.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 124 | K | 45 | Very low | 47.2 | Very low | 190 Ų | 190 | 148.6 Ų | 148.6 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | -63.3 | 161.7 | 177.6 | -79.3 | 165.2 | 163.6 | 171.8 | 0 | 115 | ||||
| 125 | F | 49.4 | Very low | 46.9 | Very low | 200 Ų | 200 | 148.8 Ų | 148.8 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | -175.6 | 126.9 | 117.3 | -101.3 | -76.1 | 0 | 0 | 0 | 111.9 | |||||
| 126 | N | 44.8 | Very low | 46.3 | Very low | 150 Ų | 150 | 147 Ų | 147 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -88.6 | 148.9 | 170.1 | -84.1 | -23.3 | 0 | 0 | 0 | 110 | ||||
| 127 | N | 56.8 | Low | 46.3 | Very low | 165 Ų | 165 | 146.3 Ų | 146.3 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | trans | -153.2 | 125 | 153.9 | -83.1 | -40.7 | 0 | 0 | 0 | 111.2 | ||||
| 128 | N | 44.6 | Very low | 46.3 | Very low | 156 Ų | 156 | 147.7 Ų | 147.7 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | -107.7 | 133.8 | 165.8 | -83.1 | -56 | 0 | 0 | 0 | 107.9 | ||||
| 129 | L | 51.3 | Low | 45.9 | Very low | 161 Ų | 161 | 145.7 Ų | 145.7 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | 176.2 | 106.7 | 148.8 | -121.5 | 79.9 | 0 | 0 | 0 | 105.5 | ||||
| 130 | S | 47.3 | Very low | 46.3 | Very low | 109 Ų | 109 | 142.8 Ų | 142.8 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | 62.2 | 132.3 | 89.2 | -51.1 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 131 | E | 42.1 | Very low | 45.9 | Very low | 187 Ų | 187 | 140.3 Ų | 140.3 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | 108.3 | 94.8 | 169.5 | -141.9 | 150.4 | -149 | 0 | 0 | 113.1 | ||||
| 132 | S | 42.3 | Very low | 46.1 | Very low | 101 Ų | 101 | 138.8 Ų | 138.8 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | 71.4 | 116.2 | 90 | -153.6 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 133 | I | 46.2 | Very low | 46.2 | Very low | 153 Ų | 153 | 138 Ų | 138 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | cis | -145.4 | -119 | 27.1 | -51 | 159.3 | 0 | 0 | 0 | 107.9 | ||||
| 134 | P | 46.5 | Very low | 46.4 | Very low | 105 Ų | 105 | 138.9 Ų | 138.9 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -71.4 | 172 | -166.1 | 40 | -37.7 | 0 | 0 | 0 | 113.6 | ||
| 135 | S | 39.2 | Very low | 47 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | trans | 56.4 | 74.7 | 159.2 | -57.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 136 | A | 41.4 | Very low | 48.2 | Very low | 86 Ų | 86 | 131.9 Ų | 131.9 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | -131.3 | 110.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 137 | S | 42.8 | Very low | 49.7 | Very low | 91 Ų | 91 | 129.9 Ų | 129.9 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | 67.9 | 95.2 | 107 | -53.1 | 0 | 0 | 0 | 0 | 110.1 | I139 | S137-I139 VanDerWaalsContact C-N 3.34Å; S137-I139 WeakPolarHBondContact O-CG1 3.43Å; S137-I139 PolarHBondContact O-N 3.34Å | |||
| 138 | L | 41.2 | Very low | 50.7 | Low | 179 Ų | 179 | 127.4 Ų | 127.4 | 94% | 0.937 | 76% | 0.757 | S | S | * | * | 28.8 | 76.6 | 89.2 | -66 | 174.9 | 0 | 0 | 0 | 110.9 | |||||
| 139 | I | 43.8 | Very low | 52.3 | Low | 141 Ų | 141 | 125.4 Ų | 125.4 | 72% | 0.723 | 75% | 0.752 | S | S | * | * | trans | -121.4 | 94.7 | 158 | -34.1 | 177.7 | 0 | 0 | 0 | 105.7 | S137 T141 | S137-I139 VanDerWaalsContact C-N 3.34Å; S137-I139 WeakPolarHBondContact O-CG1 3.43Å; S137-I139 PolarHBondContact O-N 3.34Å; I139-T141 PolarHBondContact O-N 3.21Å | ||
| 140 | S | 47.1 | Very low | 53.7 | Low | 106 Ų | 106 | 123.1 Ų | 123.1 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | trans | -50.1 | 92.9 | 155.8 | -62.6 | 0 | 0 | 0 | 0 | 107.8 | S142 | S140-S142 PolarHBondContact O-N 3.03Š| ||
| 141 | T | 46.1 | Very low | 55.2 | Low | 114 Ų | 114 | 123.3 Ų | 123.3 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | trans | -70 | 94 | 152.5 | 49.4 | 0 | 0 | 0 | 0 | 104.5 | I139 L143 | I139-T141 PolarHBondContact O-N 3.21Å; T141-L143 PolarHBondContact O-N 3.22Å | ||
| 142 | S | 51.7 | Low | 56.8 | Low | 98 Ų | 98 | 119.7 Ų | 119.7 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | trans | -45 | 92.9 | 152.6 | -52.2 | 0 | 0 | 0 | 0 | 105.9 | S140 I144 | S140-S142 PolarHBondContact O-N 3.03Å; S142-I144 PolarHBondContact O-N 3Å | ||
| 143 | L | 51.9 | Low | 58.3 | Low | 144 Ų | 144 | 120.3 Ų | 120.3 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | trans | -60.5 | 93.6 | 156.3 | -68.8 | 177.8 | 0 | 0 | 0 | 102.1 | T141 L145 | T141-L143 PolarHBondContact O-N 3.22Å; L143-L145 PolarHBondContact O-N 3.3Å | ||
| 144 | I | 54.2 | Low | 59.4 | Low | 156 Ų | 156 | 119.4 Ų | 119.4 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | trans | -57.6 | 91.2 | 162.6 | -64.1 | 168.3 | 0 | 0 | 0 | 102.1 | S142 | S142-I144 PolarHBondContact O-N 3Š| ||
| 145 | L | 57.1 | Low | 60.1 | Low | 136 Ų | 136 | 121.4 Ų | 121.4 | 71% | 0.712 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 133.7 | 166.4 | -96.4 | 79.3 | 0 | 0 | 0 | 104.6 | L143 | L143-L145 PolarHBondContact O-N 3.3Š|
| 146 | P | 73.9 | Confident | 60.9 | Low | 107 Ų | 107 | 120.6 Ų | 120.6 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 141 | 167.4 | 25.4 | -33 | 0 | 0 | 0 | 107.1 | ||
| 147 | P | 77 | Confident | 61.5 | Low | 109 Ų | 109 | 121.2 Ų | 121.2 | 71% | 0.708 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 139.7 | 176.7 | 21.4 | -32.4 | 0 | 0 | 0 | 108.7 | ||
| 148 | P | 77.4 | Confident | 62.2 | Low | 113 Ų | 113 | 122.2 Ų | 122.2 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 137.3 | 177.4 | 22.2 | -32.5 | 0 | 0 | 0 | 108.4 | ||
| 149 | P | 78.5 | Confident | 62.3 | Low | 113 Ų | 113 | 117.7 Ų | 117.7 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 140.1 | 175.7 | 22.4 | -32.1 | 0 | 0 | 0 | 108.5 | ||
| 150 | P | 79.7 | Confident | 62.6 | Low | 113 Ų | 113 | 118.9 Ų | 118.9 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 137.4 | 178 | 20.6 | -31.4 | 0 | 0 | 0 | 108.8 | ||
| 151 | P | 78.5 | Confident | 62.4 | Low | 114 Ų | 114 | 123.1 Ų | 123.1 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -52 | 135 | 175.2 | 20.8 | -30.7 | 0 | 0 | 0 | 108.1 | ||
| 152 | P | 77.1 | Confident | 62.1 | Low | 111 Ų | 111 | 121.1 Ų | 121.1 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 136.4 | 177.1 | 21.7 | -31.5 | 0 | 0 | 0 | 108 | V154 | P152-V154 PolarHBondContact O-N 2.89Š|
| 153 | P | 73.8 | Confident | 61.4 | Low | 113 Ų | 113 | 120 Ų | 120 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 124.4 | 174.3 | 20.2 | -30.6 | 0 | 0 | 0 | 107.2 | I155 | P153-I155 PolarHBondContact O-N 2.74Š|
| 154 | V | 69.5 | Low | 61 | Low | 135 Ų | 135 | 117.5 Ų | 117.5 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -58.5 | 97.9 | 171.1 | -77.3 | 0 | 0 | 0 | 0 | 106.2 | P152 S156 | P152-V154 PolarHBondContact O-N 2.89Å; V154-S156 PolarHBondContact O-N 2.87Å | ||
| 155 | I | 59.8 | Low | 60.4 | Low | 147 Ų | 147 | 118.1 Ų | 118.1 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | -68.7 | 94.8 | 168.6 | -50.5 | 176.8 | 0 | 0 | 0 | 103 | P153 S157 | P153-I155 PolarHBondContact O-N 2.74Å; I155-S157 PolarHBondContact O-N 3.37Å | ||
| 156 | S | 57.2 | Low | 60 | Low | 106 Ų | 106 | 114.3 Ų | 114.3 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | trans | -54.2 | 100.4 | 165.2 | -64.5 | 0 | 0 | 0 | 0 | 105.9 | V154 | V154-S156 PolarHBondContact O-N 2.87Š| ||
| 157 | S | 53.9 | Low | 58.9 | Low | 100 Ų | 100 | 115.9 Ų | 115.9 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | trans | -46.2 | 130 | 173.9 | -59.5 | 0 | 0 | 0 | 0 | 107.7 | I155 A159 | I155-S157 PolarHBondContact O-N 3.37Å; S157-A159 PolarHBondContact O-N 3.46Å | ||
| 158 | P | 56.5 | Low | 58 | Low | 112 Ų | 112 | 114.4 Ų | 114.4 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | -58.7 | 112.5 | 173.3 | 23.8 | -30.1 | 0 | 0 | 0 | 106.6 | L160 | P158-L160 VanDerWaalsContact C-N 3.32Å; P158-L160 PolarHBondContact O-N 3.4Å | ||
| 159 | A | 44.1 | Very low | 57.6 | Low | 83 Ų | 83 | 113.4 Ų | 113.4 | 69% | 0.686 | 75% | 0.745 | S | S | * | * | trans | -56.6 | 102 | 170.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | S157 Q161 | S157-A159 PolarHBondContact O-N 3.46Å; A159-Q161 PolarHBondContact O-N 3.2Å | ||
| 160 | L | 48.8 | Very low | 57.9 | Low | 166 Ų | 166 | 116.8 Ų | 116.8 | 87% | 0.869 | 74% | 0.743 | S | S | * | * | trans | -67.2 | 86.9 | 163.4 | -69.6 | 175.6 | 0 | 0 | 0 | 105.9 | P158 G162 | P158-L160 VanDerWaalsContact C-N 3.32Å; P158-L160 PolarHBondContact O-N 3.4Å; L160-G162 PolarHBondContact O-N 3.41Å | ||
| 161 | Q | 43 | Very low | 58 | Low | 195 Ų | 195 | 119.5 Ų | 119.5 | 91% | 0.911 | 74% | 0.738 | S | S | * | * | trans | -55.4 | 107.2 | 162.6 | -69.5 | -178.8 | 38.5 | 0 | 0 | 106.8 | A159 | A159-Q161 PolarHBondContact O-N 3.2Š| ||
| 162 | G | 40.1 | Very low | 58.3 | Low | 73 Ų | 73 | 119.6 Ų | 119.6 | 75% | 0.753 | 73% | 0.729 | S | S | * | * | trans | -175.4 | 54.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L160 | L160-G162 PolarHBondContact O-N 3.41Š| ||
| 163 | G | 36.8 | Very low | 58.6 | Low | 73 Ų | 73 | 120.1 Ų | 120.1 | 75% | 0.753 | 72% | 0.722 | S | S | * | * | trans | 77.9 | 110 | 145.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 164 | A | 44 | Very low | 59 | Low | 92 Ų | 92 | 118.6 Ų | 118.6 | 76% | 0.76 | 71% | 0.707 | S | S | * | * | trans | 63 | 111.4 | 140.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 165 | N | 42.4 | Very low | 59.8 | Low | 170 Ų | 170 | 116.4 Ų | 116.4 | 91% | 0.909 | 69% | 0.688 | S | S | * | * | trans | 42.6 | 107.4 | 135.2 | -63.4 | -7 | 0 | 0 | 0 | 117.7 | ||||
| 166 | G | 48.2 | Very low | 61 | Low | 56 Ų | 56 | 111.7 Ų | 111.7 | 58% | 0.577 | 67% | 0.67 | S | S | * | * | trans | 151.5 | 102.7 | 148 | 0 | 0 | 0 | 0 | 0 | 113.4 | S168 | G166-S168 PolarHBondContact O-N 2.83Å; G166-S168 PolarHBondContact O-OG 2.98Å | ||
| 167 | S | 51.6 | Low | 62.1 | Low | 140 Ų | 140 | 115 Ų | 115 | 98% | 0.979 | 67% | 0.667 | S | S | * | * | trans | -47.9 | 82.1 | 142.5 | 164.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 168 | S | 57.6 | Low | 63.4 | Low | 77 Ų | 77 | 116.1 Ų | 116.1 | 54% | 0.538 | 66% | 0.664 | S | S | . | * | trans | -128.4 | 115.4 | -171.1 | 55.6 | 0 | 0 | 0 | 0 | 108 | G166 W170 | G166-S168 PolarHBondContact O-N 2.83Å; G166-S168 PolarHBondContact O-OG 2.98Å; S168-W170 PolarHBondContact O-N 3.41Å; S168-W170 VanDerWaalsContact O-N 3.13Å | ||
| 169 | N | 69 | Low | 64.4 | Low | 93 Ų | 93 | 119.1 Ų | 119.1 | 50% | 0.497 | 66% | 0.661 | S | S | . | * | trans | -44.7 | 116.2 | -177.2 | -82.1 | -61.3 | 0 | 0 | 0 | 111.1 | R171 E172 Q173 | N169-R171 HydrophobicContact CB-CB 4.36Å; N169-R171 PolarHBondContact O-N 3.16Å; N169-E172 HydrophobicContact CB-CB 4.14Å; N169-E172 HydrophobicContact CB-CG 3.94Å; N169-E172 PolarHBondContact ND2-OE1 2.93Å; N169-E172 WeakPolarHBondContact O-CA 3.47Å; N169-E172 WeakPolarHBondContact O-CB 3.5Å; N169-E172 PolarHBondContact O-N 2.96Å; N169-Q173 PolarHBondContact O-N 3.13Å; N169-Q173 VanDerWaalsContact O-N 3.16Å | ||
| 170 | W | 84.1 | Confident | 65.5 | Low | 184 Ų | 184 | 118.3 Ų | 118.3 | 70% | 0.697 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -49.6 | -27.2 | 168.3 | 68.4 | -88.3 | 0 | 0 | 0 | 112 | S168 Q173 L174 | S168-W170 PolarHBondContact O-N 3.41Å; S168-W170 VanDerWaalsContact O-N 3.13Å; W170-Q173 PolarHBondContact O-N 2.92Å; W170-L174 HydrophobicContact CE3-CD1 3.44Å; W170-L174 VanDerWaalsContact CE3-CD1 3.44Å; W170-L174 HydrophobicContact CE3-CG 4.46Å; W170-L174 HydrophobicContact CZ3-CD1 3.29Å; W170-L174 PolarHBondContact O-N 3.4Å |
| 171 | R | 81.2 | Confident | 66.1 | Low | 170 Ų | 170 | 118.6 Ų | 118.6 | 64% | 0.642 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -65.5 | -39.7 | 173.8 | -165.4 | 174.6 | -178.5 | 167.4 | -0.8 | 113.4 | N169 Q175 | N169-R171 HydrophobicContact CB-CB 4.36Å; N169-R171 PolarHBondContact O-N 3.16Å; R171-Q175 PolarHBondContact O-N 3.3Å |
| 172 | E | 85.3 | Confident | 66.9 | Low | 116 Ų | 116 | 118.1 Ų | 118.1 | 54% | 0.542 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -70.1 | -39.3 | 172.9 | -74.5 | 168 | -141.2 | 0 | 0 | 110.7 | N169 L174 Q175 A176 | N169-E172 HydrophobicContact CB-CB 4.14Å; N169-E172 HydrophobicContact CB-CG 3.94Å; N169-E172 PolarHBondContact ND2-OE1 2.93Å; N169-E172 WeakPolarHBondContact O-CA 3.47Å; N169-E172 WeakPolarHBondContact O-CB 3.5Å; N169-E172 PolarHBondContact O-N 2.96Å; E172-L174 VanDerWaalsContact C-N 3.32Å; E172-L174 PolarHBondContact O-N 3.28Å; E172-Q175 PolarHBondContact O-N 2.89Å; E172-A176 VanDerWaalsContact O-CB 3.32Å; E172-A176 WeakPolarHBondContact O-CB 3.48Å; E172-A176 PolarHBondContact O-N 3.24Å |
| 173 | Q | 83.3 | Confident | 67.8 | Low | 121 Ų | 121 | 120.8 Ų | 120.8 | 57% | 0.565 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -64.8 | -35.8 | 176.3 | -158.5 | 174.3 | 65.2 | 0 | 0 | 112.4 | N169 W170 R177 | N169-Q173 PolarHBondContact O-N 3.13Å; N169-Q173 VanDerWaalsContact O-N 3.16Å; W170-Q173 PolarHBondContact O-N 2.92Å; Q173-R177 WeakPolarHBondContact O-CB 3.26Å; Q173-R177 PolarHBondContact O-N 2.8Å |
| 174 | L | 81.8 | Confident | 68.4 | Low | 81 Ų | 81 | 123.2 Ų | 123.2 | 42% | 0.424 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -68.1 | -44.9 | 170.8 | -94.8 | 170.3 | 0 | 0 | 0 | 112.7 | W170 E172 A176 R177 L178 | W170-L174 HydrophobicContact CE3-CD1 3.44Å; W170-L174 VanDerWaalsContact CE3-CD1 3.44Å; W170-L174 HydrophobicContact CE3-CG 4.46Å; W170-L174 HydrophobicContact CZ3-CD1 3.29Å; W170-L174 PolarHBondContact O-N 3.4Å; E172-L174 VanDerWaalsContact C-N 3.32Å; E172-L174 PolarHBondContact O-N 3.28Å; L174-A176 VanDerWaalsContact C-N 3.32Å; L174-A176 PolarHBondContact O-N 3.42Å; L174-R177 PolarHBondContact O-N 3.08Å; L174-L178 WeakPolarHBondContact O-CB 3.24Å; L174-L178 VanDerWaalsContact O-CG 3.31Å; L174-L178 WeakPolarHBondContact O-CG 3.37Å; L174-L178 PolarHBondContact O-N 3.32Å |
| 175 | Q | 87.9 | Confident | 68.3 | Low | 90 Ų | 90 | 124.9 Ų | 124.9 | 42% | 0.421 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -62.4 | -40.7 | 175.3 | -82.5 | -168.7 | 32.2 | 0 | 0 | 111.7 | R171 E172 L178 R179 | R171-Q175 PolarHBondContact O-N 3.3Å; E172-Q175 PolarHBondContact O-N 2.89Å; Q175-L178 PolarHBondContact O-N 3.43Å; Q175-R179 WeakPolarHBondContact O-CB 3.32Å; Q175-R179 VanDerWaalsContact O-CG 3.24Å; Q175-R179 WeakPolarHBondContact O-CG 3.46Å; Q175-R179 PolarHBondContact O-N 2.88Å |
| 176 | A | 84.3 | Confident | 68.6 | Low | 47 Ų | 47 | 121.7 Ų | 121.7 | 39% | 0.388 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -59.5 | -50.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | E172 L174 L178 R179 S180 | E172-A176 VanDerWaalsContact O-CB 3.32Å; E172-A176 WeakPolarHBondContact O-CB 3.48Å; E172-A176 PolarHBondContact O-N 3.24Å; L174-A176 VanDerWaalsContact C-N 3.32Å; L174-A176 PolarHBondContact O-N 3.42Å; A176-L178 VanDerWaalsContact C-N 3.33Å; A176-L178 PolarHBondContact O-N 3.39Å; A176-R179 CarbonylContact O-C 3.6Å; A176-R179 PolarHBondContact O-N 2.96Å; A176-R179 VanDerWaalsContact O-N 3.11Å; A176-S180 WeakPolarHBondContact O-CB 3.29Å; A176-S180 PolarHBondContact O-N 2.92Å; A176-S180 PolarHBondContact O-OG 3.08Å |
| 177 | R | 80.7 | Confident | 68.4 | Low | 176 Ų | 176 | 125.3 Ų | 125.3 | 66% | 0.664 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -57.1 | -41.6 | 175.3 | -86.3 | -178.9 | 170.4 | 163.3 | -0.5 | 113.2 | Q173 L174 K181 | Q173-R177 WeakPolarHBondContact O-CB 3.26Å; Q173-R177 PolarHBondContact O-N 2.8Å; L174-R177 PolarHBondContact O-N 3.08Å; R177-K181 VanDerWaalsContact O-CB 3.26Å; R177-K181 WeakPolarHBondContact O-CB 3.48Å; R177-K181 PolarHBondContact O-N 2.89Å |
| 178 | L | 80.1 | Confident | 68.2 | Low | 123 Ų | 123 | 127.2 Ų | 127.2 | 64% | 0.644 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.1 | -38 | 177.2 | -72.1 | 167.6 | 0 | 0 | 0 | 112 | L174 Q175 A176 | L174-L178 WeakPolarHBondContact O-CB 3.24Å; L174-L178 VanDerWaalsContact O-CG 3.31Å; L174-L178 WeakPolarHBondContact O-CG 3.37Å; L174-L178 PolarHBondContact O-N 3.32Å; Q175-L178 PolarHBondContact O-N 3.43Å; A176-L178 VanDerWaalsContact C-N 3.33Å; A176-L178 PolarHBondContact O-N 3.39Å |
| 179 | R | 79.2 | Confident | 67.7 | Low | 175 Ų | 175 | 130.1 Ų | 130.1 | 66% | 0.66 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -71.7 | -41.1 | 175.7 | -68.7 | 173.6 | -170.8 | -163 | 7 | 111.9 | Q175 A176 K181 K182 | Q175-R179 WeakPolarHBondContact O-CB 3.32Å; Q175-R179 VanDerWaalsContact O-CG 3.24Å; Q175-R179 WeakPolarHBondContact O-CG 3.46Å; Q175-R179 PolarHBondContact O-N 2.88Å; A176-R179 CarbonylContact O-C 3.6Å; A176-R179 PolarHBondContact O-N 2.96Å; A176-R179 VanDerWaalsContact O-N 3.11Å; R179-K181 VanDerWaalsContact C-N 3.35Å; R179-K181 PolarHBondContact O-N 2.94Å; R179-K182 PolarHBondContact O-N 3.01Å |
| 180 | S | 66.7 | Low | 66.3 | Low | 66 Ų | 66 | 130.7 Ų | 130.7 | 46% | 0.462 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -68.7 | -31 | 178.2 | -52.6 | 0 | 0 | 0 | 0 | 112.9 | A176 K182 N183 N184 | A176-S180 WeakPolarHBondContact O-CB 3.29Å; A176-S180 PolarHBondContact O-N 2.92Å; A176-S180 PolarHBondContact O-OG 3.08Å; S180-K182 PolarHBondContact O-N 3.22Å; S180-N183 PolarHBondContact O-N 3.2Å; S180-N183 VanDerWaalsContact O-N 3.17Å; S180-N184 PolarHBondContact O-N 3.31Å |
| 181 | K | 61.1 | Low | 64.3 | Low | 173 Ų | 173 | 128 Ų | 128 | 75% | 0.752 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -14.2 | 178.3 | -166.6 | 162.6 | 178.1 | 174.5 | 0 | 113.5 | R177 R179 N183 | R177-K181 VanDerWaalsContact O-CB 3.26Å; R177-K181 WeakPolarHBondContact O-CB 3.48Å; R177-K181 PolarHBondContact O-N 2.89Å; R179-K181 VanDerWaalsContact C-N 3.35Å; R179-K181 PolarHBondContact O-N 2.94Å; K181-N183 VanDerWaalsContact C-N 3.3Å |
| 182 | K | 59.4 | Low | 62.3 | Low | 184 Ų | 184 | 125.9 Ų | 125.9 | 80% | 0.8 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -17.7 | 172.3 | -165.8 | 166.1 | 173.5 | 177 | 0 | 112.7 | R179 S180 | R179-K182 PolarHBondContact O-N 3.01Å; S180-K182 PolarHBondContact O-N 3.22Å |
| 183 | N | 58.7 | Low | 60.7 | Low | 130 Ų | 130 | 127.7 Ų | 127.7 | 70% | 0.695 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.7 | -6.8 | -170 | -58.7 | -3.5 | 0 | 0 | 0 | 114.5 | S180 K181 | S180-N183 PolarHBondContact O-N 3.2Å; S180-N183 VanDerWaalsContact O-N 3.17Å; K181-N183 VanDerWaalsContact C-N 3.3Å |
| 184 | N | 49.4 | Very low | 58.7 | Low | 123 Ų | 123 | 131.6 Ų | 131.6 | 66% | 0.658 | 69% | 0.686 | S | S | * | * | trans | -125.3 | 78.1 | 178.1 | -84.5 | -39.7 | 0 | 0 | 0 | 110.5 | S180 | S180-N184 PolarHBondContact O-N 3.31Š| ||
| 185 | C | 43.4 | Very low | 57.1 | Low | 127 Ų | 127 | 131.9 Ų | 131.9 | 86% | 0.858 | 69% | 0.694 | S | S | * | * | trans | -105.8 | 58.1 | 165 | -175 | 0 | 0 | 0 | 0 | 109 | ||||
| 186 | T | 47.6 | Very low | 54.7 | Low | 103 Ų | 103 | 135.6 Ų | 135.6 | 63% | 0.632 | 72% | 0.717 | S | S | * | * | trans | -147.4 | 97.9 | 171.2 | 50.5 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 187 | D | 44.8 | Very low | 53.3 | Low | 133 Ų | 133 | 139.4 Ų | 139.4 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | 167.2 | 133.5 | 129.5 | -88.9 | -6.6 | 0 | 0 | 0 | 114.5 | |||||
| 188 | K | 45.9 | Very low | 51.9 | Low | 180 Ų | 180 | 136.1 Ų | 136.1 | 78% | 0.783 | 74% | 0.735 | S | S | * | * | trans | 81.5 | 82.9 | 149.9 | -62.5 | 158.3 | -167.2 | -175.2 | 0 | 117.2 | ||||
| 189 | T | 48 | Very low | 50.4 | Low | 137 Ų | 137 | 137.1 Ų | 137.1 | 84% | 0.84 | 74% | 0.739 | S | S | * | * | -172.9 | 109.7 | 113 | 33.2 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 190 | S | 38.5 | Very low | 48.9 | Very low | 105 Ų | 105 | 132.8 Ų | 132.8 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | trans | 40.5 | 102.1 | 149.6 | 62.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 191 | T | 43.2 | Very low | 48.3 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | 156.5 | 125.3 | 121.2 | 43.3 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 192 | P | 40 | Very low | 48.1 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | trans | -93.5 | 110.7 | -174.3 | 34.3 | -27.4 | 0 | 0 | 0 | 110.4 | ||||
| 193 | I | 50.4 | Low | 48 | Very low | 155 Ų | 155 | 133 Ų | 133 | 80% | 0.795 | 75% | 0.751 | S | S | * | * | trans | -115.5 | 103.7 | 162.4 | -55.8 | -179.6 | 0 | 0 | 0 | 107.6 | S195 | I193-S195 PolarHBondContact O-N 3.33Š| ||
| 194 | K | 41.3 | Very low | 48.3 | Very low | 202 Ų | 202 | 130.7 Ų | 130.7 | 88% | 0.878 | 75% | 0.749 | S | S | * | * | trans | -64.2 | 118 | 171.9 | -64.4 | 171 | 177.2 | 177.7 | 0 | 109.2 | ||||
| 195 | S | 48 | Very low | 49.9 | Very low | 87 Ų | 87 | 129 Ų | 129 | 61% | 0.608 | 74% | 0.74 | S | S | * | * | trans | -175.5 | 104.6 | 143.5 | 53.6 | 0 | 0 | 0 | 0 | 111.2 | I193 L197 | I193-S195 PolarHBondContact O-N 3.33Å; S195-L197 PolarHBondContact O-N 3.29Å | ||
| 196 | N | 39.2 | Very low | 52 | Low | 168 Ų | 168 | 128.9 Ų | 128.9 | 90% | 0.898 | 73% | 0.729 | S | S | * | * | trans | 20.5 | 92.5 | 143.9 | -57.3 | -28.4 | 0 | 0 | 0 | 117.4 | ||||
| 197 | L | 54.3 | Low | 54.1 | Low | 127 Ų | 127 | 126.4 Ų | 126.4 | 67% | 0.665 | 72% | 0.715 | S | S | * | * | trans | -125.7 | 88.5 | 157.6 | -88.7 | 127 | 0 | 0 | 0 | 108.5 | S195 I199 | S195-L197 PolarHBondContact O-N 3.29Å; L197-I199 PolarHBondContact O-N 3.28Å; L197-I199 VanDerWaalsContact O-N 3.11Å | ||
| 198 | S | 51.6 | Low | 56 | Low | 108 Ų | 108 | 123.4 Ų | 123.4 | 76% | 0.755 | 70% | 0.697 | S | S | * | * | trans | -61.9 | 104.7 | 164.2 | 50.6 | 0 | 0 | 0 | 0 | 109.1 | S200 | S198-S200 PolarHBondContact O-N 3.48Š| ||
| 199 | I | 47.5 | Very low | 58.1 | Low | 143 Ų | 143 | 117.8 Ų | 117.8 | 73% | 0.733 | 68% | 0.678 | S | S | * | * | 36.4 | 83 | 128.3 | -49.8 | 168.1 | 0 | 0 | 0 | 113.6 | L197 Q201 | L197-I199 PolarHBondContact O-N 3.28Å; L197-I199 VanDerWaalsContact O-N 3.11Å; I199-Q201 HydrophobicContact CG2-CB 4.47Å; I199-Q201 HydrophobicContact CG2-CG 3.77Å | |||
| 200 | S | 49.1 | Very low | 60 | Low | 84 Ų | 84 | 115.7 Ų | 115.7 | 59% | 0.587 | 66% | 0.661 | S | S | * | * | trans | -98.1 | 89 | 151.4 | 175.4 | 0 | 0 | 0 | 0 | 107.6 | S198 N202 | S198-S200 PolarHBondContact O-N 3.48Å; S200-N202 PolarHBondContact O-N 3.29Å | ||
| 201 | Q | 53.7 | Low | 62.5 | Low | 179 Ų | 179 | 116.4 Ų | 116.4 | 84% | 0.836 | 65% | 0.651 | S | S | * | * | trans | -75.4 | 68.2 | 166.9 | -77.6 | -170.7 | -17.8 | 0 | 0 | 109.6 | I199 | I199-Q201 HydrophobicContact CG2-CB 4.47Å; I199-Q201 HydrophobicContact CG2-CG 3.77Å | ||
| 202 | N | 55.9 | Low | 64.6 | Low | 111 Ų | 111 | 112.1 Ų | 112.1 | 59% | 0.594 | 62% | 0.622 | S | S | * | * | trans | -159.8 | 100.4 | 152.6 | -141.8 | -36.6 | 0 | 0 | 0 | 109.8 | S200 A204 | S200-N202 PolarHBondContact O-N 3.29Å; N202-A204 PolarHBondContact O-N 2.89Å | ||
| 203 | P | 57.5 | Low | 67 | Low | 139 Ų | 139 | 109.7 Ų | 109.7 | 90% | 0.903 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 16.2 | -173.5 | 30.2 | -35.1 | 0 | 0 | 0 | 114.5 | ||
| 204 | A | 65.3 | Low | 68.7 | Low | 81 Ų | 81 | 110.3 Ų | 110.3 | 67% | 0.669 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.1 | -3.9 | -165.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | N202 M206 | N202-A204 PolarHBondContact O-N 2.89Å; A204-M206 PolarHBondContact O-N 3.31Å |
| 205 | D | 82.9 | Confident | 70.9 | Confident | 86 Ų | 86 | 104.9 Ų | 104.9 | 46% | 0.46 | 59% | 0.589 | S | S | . | * | trans | -95.9 | 95.8 | 177.6 | -169 | -2.9 | 0 | 0 | 0 | 111.8 | S207 Q208 V209 | D205-S207 PolarHBondContact O-N 3.39Å; D205-S207 VanDerWaalsContact O-N 3.16Å; D205-S207 VanDerWaalsContact OD1-CB 3.25Å; D205-S207 WeakPolarHBondContact OD1-CB 3.2Å; D205-S207 PolarHBondContact OD1-N 3.19Å; D205-S207 PolarHBondContact OD1-OG 2.88Å; D205-S207 PolarHBondContact OD2-OG 3.14Å; D205-S207 VanDerWaalsContact OD2-OG 3.07Å; D205-Q208 HydrophobicContact CB-CB 4.36Å; D205-Q208 WeakPolarHBondContact O-CB 3.29Å; D205-Q208 PolarHBondContact O-N 3.39Å; D205-Q208 VanDerWaalsContact O-N 3.09Å; D205-V209 PolarHBondContact O-N 3.26Å | ||
| 206 | M | 88.6 | Confident | 72.6 | Confident | 126 Ų | 126 | 102.9 Ų | 102.9 | 62% | 0.621 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -57.5 | -26.1 | 175.6 | -78.5 | -60.5 | -56.3 | 0 | 0 | 113.2 | A204 Q208 V209 L210 | A204-M206 PolarHBondContact O-N 3.31Å; M206-Q208 VanDerWaalsContact C-N 3.29Å; M206-Q208 PolarHBondContact O-N 2.95Å; M206-V209 PolarHBondContact O-N 3.15Å; M206-L210 VanDerWaalsContact O-CG 3.31Å; M206-L210 WeakPolarHBondContact O-CG 3.42Å; M206-L210 PolarHBondContact O-N 3.25Å; M206-L210 VanDerWaalsContact O-N 3.08Å |
| 207 | S | 89.7 | Confident | 74.7 | Confident | 51 Ų | 51 | 97.5 Ų | 97.5 | 36% | 0.357 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.8 | -33.6 | 178.5 | 80.5 | 0 | 0 | 0 | 0 | 111.9 | D205 K211 | D205-S207 PolarHBondContact O-N 3.39Å; D205-S207 VanDerWaalsContact O-N 3.16Å; D205-S207 VanDerWaalsContact OD1-CB 3.25Å; D205-S207 WeakPolarHBondContact OD1-CB 3.2Å; D205-S207 PolarHBondContact OD1-N 3.19Å; D205-S207 PolarHBondContact OD1-OG 2.88Å; D205-S207 PolarHBondContact OD2-OG 3.14Å; D205-S207 VanDerWaalsContact OD2-OG 3.07Å; S207-K211 WeakPolarHBondContact O-CG 3.23Å; S207-K211 PolarHBondContact O-N 3.28Å; S207-K211 VanDerWaalsContact O-N 3.08Å |
| 208 | Q | 86.6 | Confident | 76.1 | Confident | 70 Ų | 70 | 94.5 Ų | 94.5 | 33% | 0.327 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -71 | -44.7 | 176.9 | -177.3 | 58.8 | 21.1 | 0 | 0 | 110.9 | D205 M206 L210 K211 E212 | D205-Q208 HydrophobicContact CB-CB 4.36Å; D205-Q208 WeakPolarHBondContact O-CB 3.29Å; D205-Q208 PolarHBondContact O-N 3.39Å; D205-Q208 VanDerWaalsContact O-N 3.09Å; M206-Q208 VanDerWaalsContact C-N 3.29Å; M206-Q208 PolarHBondContact O-N 2.95Å; Q208-L210 VanDerWaalsContact C-N 3.29Å; Q208-L210 PolarHBondContact O-N 3.32Å; Q208-K211 PolarHBondContact O-N 3.39Å; Q208-K211 VanDerWaalsContact O-N 3.15Å; Q208-E212 WeakPolarHBondContact CG-OE1 3.32Å; Q208-E212 PolarHBondContact NE2-OE1 3.01Å; Q208-E212 WeakPolarHBondContact O-CG 3.26Å; Q208-E212 PolarHBondContact O-N 3.29Å |
| 209 | V | 88.3 | Confident | 77.8 | Confident | 61 Ų | 61 | 98.6 Ų | 98.6 | 37% | 0.37 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -57.3 | -43.9 | 175.5 | 179 | 0 | 0 | 0 | 0 | 110.9 | D205 M206 E212 L213 | D205-V209 PolarHBondContact O-N 3.26Å; M206-V209 PolarHBondContact O-N 3.15Å; V209-E212 PolarHBondContact O-N 3.08Å; V209-L213 HydrophobicContact CG1-CD1 4.26Å; V209-L213 VanDerWaalsContact O-CG 3.31Å; V209-L213 WeakPolarHBondContact O-CG 3.4Å; V209-L213 PolarHBondContact O-N 2.9Å |
| 210 | L | 89.4 | Confident | 79.7 | Confident | 93 Ų | 93 | 98.2 Ų | 98.2 | 49% | 0.487 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 177.6 | -69.5 | 173.4 | 0 | 0 | 0 | 112.5 | M206 Q208 E212 L213 Q214 | M206-L210 VanDerWaalsContact O-CG 3.31Å; M206-L210 WeakPolarHBondContact O-CG 3.42Å; M206-L210 PolarHBondContact O-N 3.25Å; M206-L210 VanDerWaalsContact O-N 3.08Å; Q208-L210 VanDerWaalsContact C-N 3.29Å; Q208-L210 PolarHBondContact O-N 3.32Å; L210-E212 VanDerWaalsContact C-N 3.31Å; L210-E212 PolarHBondContact O-N 3.21Å; L210-L213 PolarHBondContact O-N 3.23Å; L210-Q214 WeakPolarHBondContact O-CB 3.45Å; L210-Q214 WeakPolarHBondContact O-CG 3.4Å; L210-Q214 PolarHBondContact O-N 2.78Å |
| 211 | K | 90.4 | Very high | 81.6 | Confident | 121 Ų | 121 | 104.5 Ų | 104.5 | 53% | 0.526 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.2 | -38 | 174.6 | -75 | 170.8 | -176.5 | 170.2 | 0 | 112 | S207 Q208 Q214 S215 | S207-K211 WeakPolarHBondContact O-CG 3.23Å; S207-K211 PolarHBondContact O-N 3.28Å; S207-K211 VanDerWaalsContact O-N 3.08Å; Q208-K211 PolarHBondContact O-N 3.39Å; Q208-K211 VanDerWaalsContact O-N 3.15Å; K211-Q214 PolarHBondContact O-N 3.48Å; K211-S215 WeakPolarHBondContact O-CB 3.32Å; K211-S215 PolarHBondContact O-N 3.06Å; K211-S215 PolarHBondContact O-OG 3.01Å |
| 212 | E | 88.2 | Confident | 83.1 | Confident | 39 Ų | 39 | 101.8 Ų | 101.8 | 18% | 0.182 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -68.6 | -38.5 | 177.5 | -74.6 | 174.2 | -167.6 | 0 | 0 | 112 | Q208 V209 L210 S215 G216 S217 I218 | Q208-E212 WeakPolarHBondContact CG-OE1 3.32Å; Q208-E212 PolarHBondContact NE2-OE1 3.01Å; Q208-E212 WeakPolarHBondContact O-CG 3.26Å; Q208-E212 PolarHBondContact O-N 3.29Å; V209-E212 PolarHBondContact O-N 3.08Å; L210-E212 VanDerWaalsContact C-N 3.31Å; L210-E212 PolarHBondContact O-N 3.21Å; E212-S215 WeakPolarHBondContact CA-OG 3.49Å; E212-S215 PolarHBondContact O-OG 3.42Å; E212-G216 PolarHBondContact O-N 2.95Å; E212-S217 VanDerWaalsContact CA-OG 3.26Å; E212-S217 WeakPolarHBondContact CA-OG 3.47Å; E212-S217 VanDerWaalsContact CB-OG 3.24Å; E212-S217 WeakPolarHBondContact CB-OG 3.45Å; E212-S217 WeakPolarHBondContact CG-OG 3.43Å; E212-S217 PolarHBondContact O-N 3.44Å; E212-S217 PolarHBondContact O-OG 3Å; E212-I218 HydrophobicContact CB-CD1 3.61Å; E212-I218 HydrophobicContact CB-CG1 4.01Å; E212-I218 WeakPolarHBondContact OE2-CD1 3.31Å |
| 213 | L | 88.6 | Confident | 84.7 | Confident | 73 Ų | 73 | 100.3 Ų | 100.3 | 38% | 0.382 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.3 | -38.3 | 172.2 | -70 | 173.9 | 0 | 0 | 0 | 112.1 | V209 L210 I218 L220 | V209-L213 HydrophobicContact CG1-CD1 4.26Å; V209-L213 VanDerWaalsContact O-CG 3.31Å; V209-L213 WeakPolarHBondContact O-CG 3.4Å; V209-L213 PolarHBondContact O-N 2.9Å; L210-L213 PolarHBondContact O-N 3.23Å; L213-I218 HydrophobicContact CD2-CB 4.24Å; L213-I218 HydrophobicContact CD2-CG2 4.15Å; L213-L220 HydrophobicContact CD2-CD1 3.93Å; L213-L220 HydrophobicContact CD2-CD2 4.14Å; L213-L220 HydrophobicContact CD2-CG 4.05Å |
| 214 | Q | 87 | Confident | 86.2 | Confident | 168 Ų | 168 | 97.2 Ų | 97.2 | 79% | 0.785 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -77.5 | -35.6 | 178.4 | -72.9 | 178.8 | -28.4 | 0 | 0 | 113.6 | L210 K211 G216 | L210-Q214 WeakPolarHBondContact O-CB 3.45Å; L210-Q214 WeakPolarHBondContact O-CG 3.4Å; L210-Q214 PolarHBondContact O-N 2.78Å; K211-Q214 PolarHBondContact O-N 3.48Å; Q214-G216 PolarHBondContact O-N 3.39Å |
| 215 | S | 86.6 | Confident | 87.4 | Confident | 88 Ų | 88 | 100.8 Ų | 100.8 | 62% | 0.615 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -78.8 | -5.5 | 178.7 | 57 | 0 | 0 | 0 | 0 | 113.1 | K211 E212 S217 | K211-S215 WeakPolarHBondContact O-CB 3.32Å; K211-S215 PolarHBondContact O-N 3.06Å; K211-S215 PolarHBondContact O-OG 3.01Å; E212-S215 WeakPolarHBondContact CA-OG 3.49Å; E212-S215 PolarHBondContact O-OG 3.42Å; S215-S217 PolarHBondContact O-N 2.81Å |
| 216 | G | 84.1 | Confident | 87.6 | Confident | 44 Ų | 44 | 98.8 Ų | 98.8 | 45% | 0.454 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 14.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | E212 Q214 I218 | E212-G216 PolarHBondContact O-N 2.95Å; Q214-G216 PolarHBondContact O-N 3.39Å; G216-I218 PolarHBondContact O-N 3.41Å |
| 217 | S | 84.3 | Confident | 87.6 | Confident | 55 Ų | 55 | 99.8 Ų | 99.8 | 39% | 0.385 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -68.3 | -28.2 | 173.8 | 63.1 | 0 | 0 | 0 | 0 | 111.5 | E212 S215 | E212-S217 VanDerWaalsContact CA-OG 3.26Å; E212-S217 WeakPolarHBondContact CA-OG 3.47Å; E212-S217 VanDerWaalsContact CB-OG 3.24Å; E212-S217 WeakPolarHBondContact CB-OG 3.45Å; E212-S217 WeakPolarHBondContact CG-OG 3.43Å; E212-S217 PolarHBondContact O-N 3.44Å; E212-S217 PolarHBondContact O-OG 3Å; S215-S217 PolarHBondContact O-N 2.81Å |
| 218 | I | 83.2 | Confident | 87.8 | Confident | 64 Ų | 64 | 100.6 Ų | 100.6 | 33% | 0.328 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -103.9 | 112.8 | 172.5 | -60.2 | 170 | 0 | 0 | 0 | 109.4 | E212 L213 G216 L220 | E212-I218 HydrophobicContact CB-CD1 3.61Å; E212-I218 HydrophobicContact CB-CG1 4.01Å; E212-I218 WeakPolarHBondContact OE2-CD1 3.31Å; L213-I218 HydrophobicContact CD2-CB 4.24Å; L213-I218 HydrophobicContact CD2-CG2 4.15Å; G216-I218 PolarHBondContact O-N 3.41Å; I218-L220 HydrophobicContact CG2-CD2 3.99Å; I218-L220 PolarHBondContact O-N 2.73Å |
| 219 | K | 86.9 | Confident | 88 | Confident | 194 Ų | 194 | 98.9 Ų | 98.9 | 84% | 0.843 | 55% | 0.549 | S | S | * | . | trans | -86.2 | 107.9 | 171.2 | -69.4 | -178.6 | 179.8 | 176.3 | 0 | 110.2 | ||||
| 220 | L | 86.7 | Confident | 88 | Confident | 136 Ų | 136 | 100.2 Ų | 100.2 | 71% | 0.712 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 140 | 169.8 | -59.7 | -177.5 | 0 | 0 | 0 | 110.2 | L213 I218 | L213-L220 HydrophobicContact CD2-CD1 3.93Å; L213-L220 HydrophobicContact CD2-CD2 4.14Å; L213-L220 HydrophobicContact CD2-CG 4.05Å; I218-L220 HydrophobicContact CG2-CD2 3.99Å; I218-L220 PolarHBondContact O-N 2.73Å |
| 221 | R | 89.3 | Confident | 87.9 | Confident | 215 Ų | 215 | 98.5 Ų | 98.5 | 81% | 0.811 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 135.7 | 172.8 | -67.7 | -173.4 | -66.5 | 121.8 | -1.4 | 109.7 | I223 | R221-I223 PolarHBondContact O-N 3.16Š|
| 222 | S | 86.7 | Confident | 87.7 | Confident | 123 Ų | 123 | 96.9 Ų | 96.9 | 86% | 0.86 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 125.1 | 167.8 | -172.2 | 0 | 0 | 0 | 0 | 109.3 | ||
| 223 | I | 88 | Confident | 87.3 | Confident | 79 Ų | 79 | 104.1 Ų | 104.1 | 41% | 0.405 | 58% | 0.579 | S | S | . | * | trans | -109.6 | 131.2 | 174.8 | -59.5 | 176.4 | 0 | 0 | 0 | 106.5 | R221 R225 P231 | R221-I223 PolarHBondContact O-N 3.16Å; I223-R225 WeakPolarHBondContact O-CG 3.49Å; I223-R225 PolarHBondContact O-N 2.95Å; I223-P231 HydrophobicContact CG2-CB 4.02Å | ||
| 224 | P | 89.3 | Confident | 86.7 | Confident | 75 Ų | 75 | 106.7 Ų | 106.7 | 49% | 0.487 | 59% | 0.589 | S | S | . | * | trans | -58 | 134.5 | 175.5 | 25.3 | -34.7 | 0 | 0 | 0 | 110 | I232 | P224-I232 HydrophobicContact CB-CD1 4.38Å; P224-I232 PolarHBondContact O-N 3.32Å | ||
| 225 | R | 90.3 | Very high | 85.7 | Confident | 156 Ų | 156 | 108.5 Ų | 108.5 | 59% | 0.589 | 59% | 0.594 | S | S | * | * | B | Isolated β-bridge | trans | -125.7 | 148.2 | -177.9 | -47 | -175.7 | 87.4 | 131.9 | -5.6 | 109.5 | I223 G229 T230 | I223-R225 WeakPolarHBondContact O-CG 3.49Å; I223-R225 PolarHBondContact O-N 2.95Å; R225-G229 VanDerWaalsContact CZ-O 3.28Å; R225-G229 PolarHBondContact NE-O 2.89Å; R225-G229 PolarHBondContact NH2-O 3.29Å; R225-T230 VanDerWaalsContact CA-O 3.29Å; R225-T230 WeakPolarHBondContact CA-O 3.26Å |
| 226 | S | 88.3 | Confident | 84.6 | Confident | 43 Ų | 43 | 113.6 Ų | 113.6 | 30% | 0.301 | 60% | 0.6 | S | S | . | * | trans | -68.6 | 164.9 | 167.1 | 63.9 | 0 | 0 | 0 | 0 | 109.9 | G228 G229 T230 | S226-G228 PolarHBondContact O-N 3.48Å; S226-G229 PolarHBondContact O-N 3.03Å; S226-T230 PolarHBondContact N-O 2.92Å; S226-T230 PolarHBondContact OG-O 3.32Å | ||
| 227 | P | 88.7 | Confident | 83.6 | Confident | 148 Ų | 148 | 116 Ų | 116 | 96% | 0.961 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.6 | -27.3 | 175 | -28.2 | 35.8 | 0 | 0 | 0 | 114.3 | G229 | P227-G229 VanDerWaalsContact C-N 3.29Å; P227-G229 PolarHBondContact O-N 3.5Å |
| 228 | G | 92.5 | Very high | 82.7 | Confident | 68 Ų | 68 | 118.2 Ų | 118.2 | 70% | 0.701 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | 6.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | S226 T230 | S226-G228 PolarHBondContact O-N 3.48Å; G228-T230 VanDerWaalsContact C-N 3.29Å; G228-T230 PolarHBondContact O-N 3.11Å |
| 229 | G | 90.5 | Very high | 81.7 | Confident | 34 Ų | 34 | 122.2 Ų | 122.2 | 35% | 0.351 | 65% | 0.651 | S | S | . | * | S | Bend | trans | 79.5 | 3.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | R225 S226 P227 | R225-G229 VanDerWaalsContact CZ-O 3.28Å; R225-G229 PolarHBondContact NE-O 2.89Å; R225-G229 PolarHBondContact NH2-O 3.29Å; S226-G229 PolarHBondContact O-N 3.03Å; P227-G229 VanDerWaalsContact C-N 3.29Å; P227-G229 PolarHBondContact O-N 3.5Å |
| 230 | T | 89.5 | Confident | 80.6 | Confident | 89 Ų | 89 | 116.3 Ų | 116.3 | 55% | 0.546 | 63% | 0.628 | S | S | . | * | trans | -76.2 | 127.2 | 174.6 | -43.1 | 0 | 0 | 0 | 0 | 110 | R225 S226 G228 I232 | R225-T230 VanDerWaalsContact CA-O 3.29Å; R225-T230 WeakPolarHBondContact CA-O 3.26Å; S226-T230 PolarHBondContact N-O 2.92Å; S226-T230 PolarHBondContact OG-O 3.32Å; G228-T230 VanDerWaalsContact C-N 3.29Å; G228-T230 PolarHBondContact O-N 3.11Å; T230-I232 PolarHBondContact O-N 2.98Å | ||
| 231 | P | 87.3 | Confident | 79.7 | Confident | 57 Ų | 57 | 113.1 Ų | 113.1 | 37% | 0.37 | 62% | 0.617 | S | S | . | * | B | Isolated β-bridge | trans | -57.4 | 125.9 | 172 | -23.7 | 34.4 | 0 | 0 | 0 | 110.9 | I223 K233 | I223-P231 HydrophobicContact CG2-CB 4.02Å; P231-K233 PolarHBondContact O-N 2.79Å; P231-K233 VanDerWaalsContact O-N 3.16Å |
| 232 | I | 84.9 | Confident | 79.2 | Confident | 86 Ų | 86 | 105.4 Ų | 105.4 | 44% | 0.441 | 60% | 0.604 | S | S | . | * | trans | -73.9 | 109.8 | 178.4 | -61.6 | 171.5 | 0 | 0 | 0 | 107.7 | P224 T230 Q234 | P224-I232 HydrophobicContact CB-CD1 4.38Å; P224-I232 PolarHBondContact O-N 3.32Å; T230-I232 PolarHBondContact O-N 2.98Å; I232-Q234 PolarHBondContact O-N 2.88Å | ||
| 233 | K | 81.6 | Confident | 79.1 | Confident | 191 Ų | 191 | 104 Ų | 104 | 83% | 0.83 | 59% | 0.594 | S | S | * | * | trans | -76.7 | 104.8 | 169.9 | -64 | -177.6 | -179.6 | -179.3 | 0 | 107.7 | P231 K235 | P231-K233 PolarHBondContact O-N 2.79Å; P231-K233 VanDerWaalsContact O-N 3.16Å; K233-K235 PolarHBondContact O-N 3.32Å; K233-K235 VanDerWaalsContact O-N 3.09Å | ||
| 234 | Q | 75.5 | Confident | 79.3 | Confident | 127 Ų | 127 | 103.6 Ų | 103.6 | 59% | 0.593 | 59% | 0.593 | S | S | * | * | trans | -60 | 117 | 165.9 | -69.9 | -176.8 | -33.8 | 0 | 0 | 107.2 | I232 R236 | I232-Q234 PolarHBondContact O-N 2.88Å; Q234-R236 PolarHBondContact O-N 3.36Å | ||
| 235 | K | 66.1 | Low | 79.5 | Confident | 207 Ų | 207 | 104.1 Ų | 104.1 | 90% | 0.9 | 60% | 0.596 | S | S | * | * | trans | -68.7 | 70.6 | 171.4 | -68.1 | -175.2 | 179.3 | -178.4 | 0 | 108.6 | K233 S237 | K233-K235 PolarHBondContact O-N 3.32Å; K233-K235 VanDerWaalsContact O-N 3.09Å; K235-S237 VanDerWaalsContact C-N 3.28Å; K235-S237 PolarHBondContact O-N 3.15Å; K235-S237 VanDerWaalsContact O-N 3.15Å | ||
| 236 | R | 63.6 | Low | 79.6 | Confident | 195 Ų | 195 | 100.9 Ų | 100.9 | 74% | 0.736 | 60% | 0.597 | S | S | * | * | trans | -76.7 | 94.3 | 158.5 | -68 | -173.5 | -179.4 | 146.6 | 1.4 | 104.5 | Q234 P238 | Q234-R236 PolarHBondContact O-N 3.36Å; R236-P238 WeakPolarHBondContact O-CD 3.43Å | ||
| 237 | S | 61.8 | Low | 79.7 | Confident | 95 Ų | 95 | 99.3 Ų | 99.3 | 66% | 0.664 | 59% | 0.586 | S | S | * | * | trans | -50.6 | 124.3 | 153.8 | 51.7 | 0 | 0 | 0 | 0 | 104.9 | K235 T239 | K235-S237 VanDerWaalsContact C-N 3.28Å; K235-S237 PolarHBondContact O-N 3.15Å; K235-S237 VanDerWaalsContact O-N 3.15Å; S237-T239 PolarHBondContact O-N 3.35Å | ||
| 238 | P | 65.5 | Low | 79.9 | Confident | 100 Ų | 100 | 96 Ų | 96 | 65% | 0.649 | 56% | 0.56 | S | S | * | * | trans | -50 | 126.1 | 173.1 | -21 | 30.8 | 0 | 0 | 0 | 106.3 | R236 I240 | R236-P238 WeakPolarHBondContact O-CD 3.43Å; P238-I240 HydrophobicContact CB-CG1 3.97Å; P238-I240 WeakPolarHBondContact O-CG1 3.24Å; P238-I240 PolarHBondContact O-N 3.04Å | ||
| 239 | T | 62.8 | Low | 80 | Confident | 149 Ų | 149 | 97.7 Ų | 97.7 | 91% | 0.914 | 55% | 0.551 | S | S | * | * | trans | -67.1 | 82.2 | 169.9 | 16.7 | 0 | 0 | 0 | 0 | 105.6 | S237 S241 | S237-T239 PolarHBondContact O-N 3.35Å; T239-S241 PolarHBondContact O-N 3.36Å; T239-S241 VanDerWaalsContact O-N 3.16Å | ||
| 240 | I | 63.5 | Low | 80.1 | Confident | 70 Ų | 70 | 98 Ų | 98 | 36% | 0.359 | 55% | 0.55 | S | S | . | * | trans | -70.1 | 109.2 | -178.8 | -71.7 | 174.2 | 0 | 0 | 0 | 105.4 | P238 G242 A247 R251 | P238-I240 HydrophobicContact CB-CG1 3.97Å; P238-I240 WeakPolarHBondContact O-CG1 3.24Å; P238-I240 PolarHBondContact O-N 3.04Å; I240-G242 PolarHBondContact O-N 3.15Å; I240-A247 HydrophobicContact CG2-CB 3.16Å; I240-R251 HydrophobicContact CD1-CG 4Å; I240-R251 HydrophobicContact CG2-CG 4.14Å | ||
| 241 | S | 67.5 | Low | 80.2 | Confident | 69 Ų | 69 | 99.1 Ų | 99.1 | 48% | 0.483 | 55% | 0.545 | S | S | . | . | trans | -53.6 | 124.7 | 176.8 | -172.3 | 0 | 0 | 0 | 0 | 108.9 | T239 S243 D244 | T239-S241 PolarHBondContact O-N 3.36Å; T239-S241 VanDerWaalsContact O-N 3.16Å; S241-S243 PolarHBondContact O-N 3.46Å; S241-S243 PolarHBondContact OG-OG 3.32Å; S241-D244 PolarHBondContact O-N 3.35Å | ||
| 242 | G | 78.5 | Confident | 80.5 | Confident | 53 Ų | 53 | 99.2 Ų | 99.2 | 55% | 0.546 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.7 | -10.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | I240 | I240-G242 PolarHBondContact O-N 3.15Š|
| 243 | S | 86.3 | Confident | 81 | Confident | 94 Ų | 94 | 99.3 Ų | 99.3 | 66% | 0.657 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -13.4 | -176.6 | 59.7 | 0 | 0 | 0 | 0 | 115.7 | S241 | S241-S243 PolarHBondContact O-N 3.46Å; S241-S243 PolarHBondContact OG-OG 3.32Å |
| 244 | D | 90.8 | Very high | 81.4 | Confident | 69 Ų | 69 | 97.1 Ų | 97.1 | 37% | 0.369 | 54% | 0.544 | S | S | . | . | trans | -82 | 123.9 | -179.4 | 162.9 | 32.3 | 0 | 0 | 0 | 110.4 | S241 C246 A247 I248 | S241-D244 PolarHBondContact O-N 3.35Å; D244-C246 VanDerWaalsContact C-N 3.27Å; D244-C246 PolarHBondContact O-N 3.49Å; D244-C246 WeakPolarHBondContact OD1-CB 3.45Å; D244-C246 PolarHBondContact OD1-N 3.25Å; D244-A247 HydrophobicContact CB-CB 3.63Å; D244-A247 WeakPolarHBondContact O-CB 3.42Å; D244-A247 PolarHBondContact O-N 3.17Å; D244-A247 VanDerWaalsContact OD2-CB 3.29Å; D244-A247 WeakPolarHBondContact OD2-CB 3.21Å; D244-A247 PolarHBondContact OD2-N 3.22Å; D244-A247 VanDerWaalsContact OD2-N 3.14Å; D244-I248 WeakPolarHBondContact O-CG1 3.29Å; D244-I248 PolarHBondContact O-N 2.74Å | ||
| 245 | P | 94.5 | Very high | 82.2 | Confident | 86 Ų | 86 | 95.1 Ų | 95.1 | 56% | 0.558 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -58.9 | -37.7 | 178.7 | 24.1 | -35 | 0 | 0 | 0 | 112.2 | I248 I249 | P245-I248 PolarHBondContact O-N 3.09Å; P245-I249 VanDerWaalsContact O-CG1 3.28Å; P245-I249 WeakPolarHBondContact O-CG1 3.31Å; P245-I249 PolarHBondContact O-N 3.2Å |
| 246 | C | 92.5 | Very high | 83.5 | Confident | 89 Ų | 89 | 92.5 Ų | 92.5 | 60% | 0.601 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65 | -44.5 | 178 | -65.8 | 0 | 0 | 0 | 0 | 110.9 | D244 I249 A250 | D244-C246 VanDerWaalsContact C-N 3.27Å; D244-C246 PolarHBondContact O-N 3.49Å; D244-C246 WeakPolarHBondContact OD1-CB 3.45Å; D244-C246 PolarHBondContact OD1-N 3.25Å; C246-I249 PolarHBondContact O-N 3.32Å; C246-A250 VanDerWaalsContact O-CB 3.23Å; C246-A250 WeakPolarHBondContact O-CB 3.45Å; C246-A250 PolarHBondContact O-N 3.24Å |
| 247 | A | 90.4 | Very high | 85 | Confident | 10 Ų | 10 | 87.8 Ų | 87.8 | 8% | 0.083 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -56.2 | -43.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | I240 D244 R251 | I240-A247 HydrophobicContact CG2-CB 3.16Å; D244-A247 HydrophobicContact CB-CB 3.63Å; D244-A247 WeakPolarHBondContact O-CB 3.42Å; D244-A247 PolarHBondContact O-N 3.17Å; D244-A247 VanDerWaalsContact OD2-CB 3.29Å; D244-A247 WeakPolarHBondContact OD2-CB 3.21Å; D244-A247 PolarHBondContact OD2-N 3.22Å; D244-A247 VanDerWaalsContact OD2-N 3.14Å; A247-R251 WeakPolarHBondContact O-CB 3.46Å; A247-R251 VanDerWaalsContact O-CG 3.32Å; A247-R251 WeakPolarHBondContact O-CG 3.37Å; A247-R251 PolarHBondContact O-N 3.1Å |
| 248 | I | 92.7 | Very high | 86.3 | Confident | 79 Ų | 79 | 86.8 Ų | 86.8 | 41% | 0.405 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.3 | -49.8 | 177 | -65.7 | 161.9 | 0 | 0 | 0 | 110.3 | D244 P245 A250 R251 A252 | D244-I248 WeakPolarHBondContact O-CG1 3.29Å; D244-I248 PolarHBondContact O-N 2.74Å; P245-I248 PolarHBondContact O-N 3.09Å; I248-A250 VanDerWaalsContact C-N 3.34Å; I248-A250 PolarHBondContact O-N 3.14Å; I248-R251 PolarHBondContact O-N 3.47Å; I248-A252 PolarHBondContact O-N 3.14Å |
| 249 | I | 94.2 | Very high | 87.4 | Confident | 102 Ų | 102 | 87.9 Ų | 87.9 | 52% | 0.523 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.5 | -45.4 | 178.8 | -65.9 | 165.1 | 0 | 0 | 0 | 110.3 | P245 C246 R251 A252 L253 | P245-I249 VanDerWaalsContact O-CG1 3.28Å; P245-I249 WeakPolarHBondContact O-CG1 3.31Å; P245-I249 PolarHBondContact O-N 3.2Å; C246-I249 PolarHBondContact O-N 3.32Å; I249-R251 VanDerWaalsContact C-N 3.34Å; I249-R251 PolarHBondContact O-N 3Å; I249-A252 PolarHBondContact O-N 3.16Å; I249-L253 HydrophobicContact CG2-CD1 3.87Å; I249-L253 HydrophobicContact CG2-CG 4.24Å; I249-L253 VanDerWaalsContact O-CG 3.3Å; I249-L253 WeakPolarHBondContact O-CG 3.19Å; I249-L253 PolarHBondContact O-N 3.26Å |
| 250 | A | 92.8 | Very high | 88.6 | Confident | 40 Ų | 40 | 85.5 Ų | 85.5 | 33% | 0.331 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | C246 I248 L253 H254 | C246-A250 VanDerWaalsContact O-CB 3.23Å; C246-A250 WeakPolarHBondContact O-CB 3.45Å; C246-A250 PolarHBondContact O-N 3.24Å; I248-A250 VanDerWaalsContact C-N 3.34Å; I248-A250 PolarHBondContact O-N 3.14Å; A250-L253 PolarHBondContact O-N 3.44Å; A250-H254 WeakPolarHBondContact O-CB 3.31Å; A250-H254 PolarHBondContact O-CD2 3.04Å; A250-H254 VanDerWaalsContact O-CD2 3.31Å; A250-H254 PolarHBondContact O-N 3Å |
| 251 | R | 91.3 | Very high | 89.4 | Confident | 114 Ų | 114 | 90 Ų | 90 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 174.4 | -77.3 | -174.6 | -63.8 | 164.8 | 0.9 | 112 | I240 A247 I248 I249 H254 S255 | I240-R251 HydrophobicContact CD1-CG 4Å; I240-R251 HydrophobicContact CG2-CG 4.14Å; A247-R251 WeakPolarHBondContact O-CB 3.46Å; A247-R251 VanDerWaalsContact O-CG 3.32Å; A247-R251 WeakPolarHBondContact O-CG 3.37Å; A247-R251 PolarHBondContact O-N 3.1Å; I248-R251 PolarHBondContact O-N 3.47Å; I249-R251 VanDerWaalsContact C-N 3.34Å; I249-R251 PolarHBondContact O-N 3Å; R251-H254 PolarHBondContact O-N 3.27Å; R251-S255 WeakPolarHBondContact O-CB 3.47Å; R251-S255 PolarHBondContact O-N 3.49Å |
| 252 | A | 93.7 | Very high | 90 | Very high | 59 Ų | 59 | 88.8 Ų | 88.8 | 49% | 0.488 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I248 I249 S255 K256 | I248-A252 PolarHBondContact O-N 3.14Å; I249-A252 PolarHBondContact O-N 3.16Å; A252-S255 PolarHBondContact O-N 2.84Å; A252-K256 VanDerWaalsContact O-CB 3.3Å; A252-K256 WeakPolarHBondContact O-CB 3.25Å; A252-K256 PolarHBondContact O-N 3.34Å |
| 253 | L | 95.8 | Very high | 90.1 | Very high | 87 Ų | 87 | 91.4 Ų | 91.4 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.7 | -46.5 | 175.8 | -67.5 | 173.1 | 0 | 0 | 0 | 111.7 | I249 A250 S255 K256 F257 | I249-L253 HydrophobicContact CG2-CD1 3.87Å; I249-L253 HydrophobicContact CG2-CG 4.24Å; I249-L253 VanDerWaalsContact O-CG 3.3Å; I249-L253 WeakPolarHBondContact O-CG 3.19Å; I249-L253 PolarHBondContact O-N 3.26Å; A250-L253 PolarHBondContact O-N 3.44Å; L253-S255 VanDerWaalsContact C-N 3.28Å; L253-S255 PolarHBondContact O-N 2.85Å; L253-K256 PolarHBondContact O-N 2.9Å; L253-F257 HydrophobicContact CB-CD2 4.46Å; L253-F257 HydrophobicContact CD2-CE2 3.9Å; L253-F257 WeakPolarHBondContact O-CD2 3.24Å; L253-F257 PolarHBondContact O-N 3.41Å |
| 254 | H | 90.6 | Very high | 89.7 | Confident | 145 Ų | 145 | 93.4 Ų | 93.4 | 67% | 0.671 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -58.1 | -42.1 | 176.2 | -96.4 | -92.5 | 0 | 0 | 0 | 111.9 | A250 R251 S258 | A250-H254 WeakPolarHBondContact O-CB 3.31Å; A250-H254 PolarHBondContact O-CD2 3.04Å; A250-H254 VanDerWaalsContact O-CD2 3.31Å; A250-H254 PolarHBondContact O-N 3Å; R251-H254 PolarHBondContact O-N 3.27Å; H254-S258 WeakPolarHBondContact O-CB 3.47Å; H254-S258 PolarHBondContact O-N 3.45Å |
| 255 | S | 91.3 | Very high | 88.8 | Confident | 85 Ų | 85 | 94.1 Ų | 94.1 | 59% | 0.594 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.9 | -50.8 | 176.1 | -179.7 | 0 | 0 | 0 | 0 | 111.4 | R251 A252 L253 F257 S258 | R251-S255 WeakPolarHBondContact O-CB 3.47Å; R251-S255 PolarHBondContact O-N 3.49Å; A252-S255 PolarHBondContact O-N 2.84Å; L253-S255 VanDerWaalsContact C-N 3.28Å; L253-S255 PolarHBondContact O-N 2.85Å; S255-F257 VanDerWaalsContact C-N 3.25Å; S255-F257 PolarHBondContact O-N 3.39Å; S255-S258 WeakPolarHBondContact O-CB 3.36Å; S255-S258 PolarHBondContact O-N 2.91Å; S255-S258 PolarHBondContact O-OG 3.01Å |
| 256 | K | 94.2 | Very high | 87.2 | Confident | 153 Ų | 153 | 94.3 Ų | 94.3 | 67% | 0.665 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58.8 | -34.1 | -178.6 | -171.2 | 175 | -169.3 | -68.3 | 0 | 113.4 | A252 L253 | A252-K256 VanDerWaalsContact O-CB 3.3Å; A252-K256 WeakPolarHBondContact O-CB 3.25Å; A252-K256 PolarHBondContact O-N 3.34Å; L253-K256 PolarHBondContact O-N 2.9Å |
| 257 | F | 94.2 | Very high | 85.5 | Confident | 95 Ų | 95 | 94.9 Ų | 94.9 | 42% | 0.417 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 6.8 | -177.2 | -60.5 | -61.2 | 0 | 0 | 0 | 114.1 | L253 S255 H259 L260 R261 | L253-F257 HydrophobicContact CB-CD2 4.46Å; L253-F257 HydrophobicContact CD2-CE2 3.9Å; L253-F257 WeakPolarHBondContact O-CD2 3.24Å; L253-F257 PolarHBondContact O-N 3.41Å; S255-F257 VanDerWaalsContact C-N 3.25Å; S255-F257 PolarHBondContact O-N 3.39Å; F257-H259 VanDerWaalsContact C-N 3.29Å; F257-H259 PolarHBondContact O-N 2.92Å; F257-L260 HydrophobicContact CB-CD1 4.48Å; F257-L260 HydrophobicContact CD1-CD1 3.43Å; F257-L260 VanDerWaalsContact CD1-CD1 3.43Å; F257-L260 HydrophobicContact CD1-CG 4.18Å; F257-L260 HydrophobicContact CE1-CD1 4.05Å; F257-L260 HydrophobicContact CG-CD1 4.36Å; F257-L260 PolarHBondContact O-N 3.48Å; F257-L260 VanDerWaalsContact O-N 3.13Å; F257-R261 PolarHBondContact O-N 3.41Å |
| 258 | S | 88.3 | Confident | 83.7 | Confident | 74 Ų | 74 | 100.3 Ų | 100.3 | 52% | 0.517 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -56.3 | -42.7 | 177.7 | 59.9 | 0 | 0 | 0 | 0 | 112.2 | H254 S255 L260 R261 S262 | H254-S258 WeakPolarHBondContact O-CB 3.47Å; H254-S258 PolarHBondContact O-N 3.45Å; S255-S258 WeakPolarHBondContact O-CB 3.36Å; S255-S258 PolarHBondContact O-N 2.91Å; S255-S258 PolarHBondContact O-OG 3.01Å; S258-L260 PolarHBondContact O-N 2.8Å; S258-R261 PolarHBondContact O-N 3Å; S258-S262 PolarHBondContact O-N 3.47Å |
| 259 | H | 89.5 | Confident | 81.4 | Confident | 123 Ų | 123 | 100.3 Ų | 100.3 | 57% | 0.569 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.3 | -38.4 | 176.9 | -175.5 | 67.6 | 0 | 0 | 0 | 112.8 | F257 R261 S262 M263 | F257-H259 VanDerWaalsContact C-N 3.29Å; F257-H259 PolarHBondContact O-N 2.92Å; H259-R261 VanDerWaalsContact C-N 3.26Å; H259-R261 PolarHBondContact O-N 3.44Å; H259-S262 WeakPolarHBondContact O-CB 3.21Å; H259-S262 PolarHBondContact O-N 3.11Å; H259-S262 VanDerWaalsContact O-N 3.08Å; H259-M263 VanDerWaalsContact CD2-SD 3.59Å; H259-M263 PolarHBondContact NE2-SD 3.45Å; H259-M263 WeakPolarHBondContact O-CG 3.46Å; H259-M263 PolarHBondContact O-N 3.45Å |
| 260 | L | 88.6 | Confident | 79.2 | Confident | 99 Ų | 99 | 99.4 Ų | 99.4 | 52% | 0.518 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.4 | -35 | 177.7 | -63.6 | -170.3 | 0 | 0 | 0 | 112 | F257 S258 M263 M264 | F257-L260 HydrophobicContact CB-CD1 4.48Å; F257-L260 HydrophobicContact CD1-CD1 3.43Å; F257-L260 VanDerWaalsContact CD1-CD1 3.43Å; F257-L260 HydrophobicContact CD1-CG 4.18Å; F257-L260 HydrophobicContact CE1-CD1 4.05Å; F257-L260 HydrophobicContact CG-CD1 4.36Å; F257-L260 PolarHBondContact O-N 3.48Å; F257-L260 VanDerWaalsContact O-N 3.13Å; S258-L260 PolarHBondContact O-N 2.8Å; L260-M263 PolarHBondContact O-N 3.44Å; L260-M264 PolarHBondContact O-N 3.43Å |
| 261 | R | 80.4 | Confident | 77.2 | Confident | 166 Ų | 166 | 105 Ų | 105 | 63% | 0.626 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.4 | -43.4 | 174 | -164.2 | 76 | 73.9 | -153.9 | 1.1 | 110.9 | F257 S258 H259 M263 M264 D265 | F257-R261 PolarHBondContact O-N 3.41Å; S258-R261 PolarHBondContact O-N 3Å; H259-R261 VanDerWaalsContact C-N 3.26Å; H259-R261 PolarHBondContact O-N 3.44Å; R261-M263 VanDerWaalsContact C-N 3.3Å; R261-M263 PolarHBondContact O-N 3.15Å; R261-M264 PolarHBondContact O-N 2.96Å; R261-D265 WeakPolarHBondContact CG-OD2 3.26Å; R261-D265 WeakPolarHBondContact O-CB 3.33Å; R261-D265 VanDerWaalsContact O-CG 3.23Å; R261-D265 PolarHBondContact O-N 3.3Å |
| 262 | S | 79.4 | Confident | 75.3 | Confident | 43 Ų | 43 | 107.9 Ų | 107.9 | 30% | 0.301 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.8 | -37.5 | 175.7 | -173.3 | 0 | 0 | 0 | 0 | 112.6 | S258 H259 N266 | S258-S262 PolarHBondContact O-N 3.47Å; H259-S262 WeakPolarHBondContact O-CB 3.21Å; H259-S262 PolarHBondContact O-N 3.11Å; H259-S262 VanDerWaalsContact O-N 3.08Å; S262-N266 VanDerWaalsContact O-CB 3.26Å; S262-N266 WeakPolarHBondContact O-CB 3.39Å; S262-N266 PolarHBondContact O-N 3.34Å; S262-N266 VanDerWaalsContact O-N 3.15Å; S262-N266 PolarHBondContact O-ND2 3.09Å; S262-N266 PolarHBondContact O-OD1 3.08Å |
| 263 | M | 80.8 | Confident | 73 | Confident | 108 Ų | 108 | 112.7 Ų | 112.7 | 53% | 0.532 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68.7 | -38.1 | 177.4 | -66.4 | -176.1 | 78.1 | 0 | 0 | 112.2 | H259 L260 R261 S267 | H259-M263 VanDerWaalsContact CD2-SD 3.59Å; H259-M263 PolarHBondContact NE2-SD 3.45Å; H259-M263 WeakPolarHBondContact O-CG 3.46Å; H259-M263 PolarHBondContact O-N 3.45Å; L260-M263 PolarHBondContact O-N 3.44Å; R261-M263 VanDerWaalsContact C-N 3.3Å; R261-M263 PolarHBondContact O-N 3.15Å; M263-S267 PolarHBondContact O-OG 3.32Å |
| 264 | M | 77.9 | Confident | 70.6 | Confident | 135 Ų | 135 | 113.7 Ų | 113.7 | 67% | 0.665 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69.4 | -46.1 | 177.5 | -165.9 | 82.1 | 76.6 | 0 | 0 | 111.7 | L260 R261 N266 S267 | L260-M264 PolarHBondContact O-N 3.43Å; R261-M264 PolarHBondContact O-N 2.96Å; M264-N266 PolarHBondContact O-N 3.46Å; M264-S267 PolarHBondContact O-N 3.16Å |
| 265 | D | 72.3 | Confident | 68.6 | Low | 84 Ų | 84 | 115.1 Ų | 115.1 | 45% | 0.449 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -71.5 | -31.7 | -175.2 | -65.2 | -12.8 | 0 | 0 | 0 | 111.9 | R261 S267 T268 | R261-D265 WeakPolarHBondContact CG-OD2 3.26Å; R261-D265 WeakPolarHBondContact O-CB 3.33Å; R261-D265 VanDerWaalsContact O-CG 3.23Å; R261-D265 PolarHBondContact O-N 3.3Å; D265-S267 PolarHBondContact O-N 2.79Å; D265-T268 PolarHBondContact O-N 2.95Å |
| 266 | N | 60.3 | Low | 66.6 | Low | 90 Ų | 90 | 115.9 Ų | 115.9 | 48% | 0.481 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72 | -11.4 | 176.2 | -66.6 | -6.3 | 0 | 0 | 0 | 113 | S262 M264 K273 | S262-N266 VanDerWaalsContact O-CB 3.26Å; S262-N266 WeakPolarHBondContact O-CB 3.39Å; S262-N266 PolarHBondContact O-N 3.34Å; S262-N266 VanDerWaalsContact O-N 3.15Å; S262-N266 PolarHBondContact O-ND2 3.09Å; S262-N266 PolarHBondContact O-OD1 3.08Å; M264-N266 PolarHBondContact O-N 3.46Å; N266-K273 PolarHBondContact OD1-NZ 2.69Å |
| 267 | S | 56.1 | Low | 64.2 | Low | 101 Ų | 101 | 115 Ų | 115 | 71% | 0.706 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -7.6 | -179.7 | -60.8 | 0 | 0 | 0 | 0 | 113.6 | M263 M264 D265 | M263-S267 PolarHBondContact O-OG 3.32Å; M264-S267 PolarHBondContact O-N 3.16Å; D265-S267 PolarHBondContact O-N 2.79Å |
| 268 | T | 53.1 | Low | 62.1 | Low | 125 Ų | 125 | 117.8 Ų | 117.8 | 77% | 0.767 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -126 | 7.1 | -176.1 | 59.4 | 0 | 0 | 0 | 0 | 115.4 | D265 | D265-T268 PolarHBondContact O-N 2.95Š|
| 269 | S | 45.2 | Very low | 59.8 | Low | 78 Ų | 78 | 121.8 Ų | 121.8 | 55% | 0.545 | 66% | 0.658 | S | S | . | * | trans | -140.4 | 95 | 174.1 | 63.5 | 0 | 0 | 0 | 0 | 110.1 | E271 | S269-E271 PolarHBondContact O-N 3.07Š| ||
| 270 | G | 47.3 | Very low | 57.8 | Low | 83 Ų | 83 | 123.8 Ų | 123.8 | 86% | 0.856 | 67% | 0.672 | S | S | * | * | trans | -75.6 | 39.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 271 | E | 52.2 | Low | 55.5 | Low | 157 Ų | 157 | 125.9 Ų | 125.9 | 73% | 0.734 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -148.2 | 110.1 | -178.1 | -56.7 | -177.5 | -155.7 | 0 | 0 | 110.5 | S269 | S269-E271 PolarHBondContact O-N 3.07Š|
| 272 | E | 49.5 | Very low | 53.9 | Low | 175 Ų | 175 | 123.6 Ų | 123.6 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | trans | 63.3 | 75.8 | 148.3 | 2.3 | -167.4 | 176.9 | 0 | 0 | 119.2 | S274 | E272-S274 PolarHBondContact O-N 3.14Š| ||
| 273 | K | 46.8 | Very low | 52 | Low | 161 Ų | 161 | 124.8 Ų | 124.8 | 70% | 0.7 | 71% | 0.712 | S | S | * | * | trans | -94 | 80.2 | 162.1 | -143.1 | 174.1 | -163.2 | 170.6 | 0 | 109.7 | N266 Q275 | N266-K273 PolarHBondContact OD1-NZ 2.69Å; K273-Q275 PolarHBondContact O-N 3.48Å | ||
| 274 | S | 45.9 | Very low | 50.3 | Low | 108 Ų | 108 | 128.4 Ų | 128.4 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | trans | -73.4 | 114.8 | 164.3 | -72.8 | 0 | 0 | 0 | 0 | 109.3 | E272 S276 | E272-S274 PolarHBondContact O-N 3.14Å; S274-S276 PolarHBondContact O-N 3.34Å | ||
| 275 | Q | 47.3 | Very low | 48.6 | Very low | 175 Ų | 175 | 125.6 Ų | 125.6 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | -46.8 | 124.1 | 167 | -74.8 | 165.6 | -92.4 | 0 | 0 | 110.5 | K273 | K273-Q275 PolarHBondContact O-N 3.48Š| ||
| 276 | S | 49.3 | Very low | 47.5 | Very low | 100 Ų | 100 | 127.6 Ų | 127.6 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | trans | -119.9 | 87.7 | 151.7 | 42.1 | 0 | 0 | 0 | 0 | 107.1 | S274 N278 | S274-S276 PolarHBondContact O-N 3.34Å; S276-N278 VanDerWaalsContact C-N 3.34Å; S276-N278 PolarHBondContact O-N 3.21Å; S276-N278 VanDerWaalsContact O-N 3.15Å | ||
| 277 | D | 44.1 | Very low | 46.6 | Very low | 135 Ų | 135 | 125.9 Ų | 125.9 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | -62.6 | 99.4 | 153.3 | -89.4 | -45.9 | 0 | 0 | 0 | 107.2 | H279 | D277-H279 PolarHBondContact O-N 3.22Š| ||
| 278 | N | 49.1 | Very low | 46.4 | Very low | 153 Ų | 153 | 132 Ų | 132 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -90.2 | 76.7 | 157.5 | -72.3 | -36.7 | 0 | 0 | 0 | 107.1 | S276 | S276-N278 VanDerWaalsContact C-N 3.34Å; S276-N278 PolarHBondContact O-N 3.21Å; S276-N278 VanDerWaalsContact O-N 3.15Å | ||
| 279 | H | 41.1 | Very low | 46.2 | Very low | 159 Ų | 159 | 133.7 Ų | 133.7 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | trans | -84.2 | 99.7 | 158.9 | 174.3 | -80.7 | 0 | 0 | 0 | 107.3 | D277 | D277-H279 PolarHBondContact O-N 3.22Š| ||
| 280 | L | 47.8 | Very low | 46.5 | Very low | 165 Ų | 165 | 137.1 Ų | 137.1 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -136.2 | 117.5 | 153.7 | -73.1 | 179.8 | 0 | 0 | 0 | 108.9 | ||||
| 281 | D | 39.7 | Very low | 46.8 | Very low | 142 Ų | 142 | 140.2 Ų | 140.2 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | trans | 84.8 | 82.9 | 139.7 | -155 | 31 | 0 | 0 | 0 | 117.3 | ||||
| 282 | S | 46.9 | Very low | 46.7 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -171.8 | 94.1 | 136.7 | -77.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 283 | G | 39.8 | Very low | 46.8 | Very low | 67 Ų | 67 | 141.1 Ų | 141.1 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | trans | 66.9 | 113.2 | 136.7 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 284 | L | 45.7 | Very low | 47.6 | Very low | 184 Ų | 184 | 138.4 Ų | 138.4 | 96% | 0.963 | 78% | 0.78 | S | S | * | * | trans | 82.3 | 117.6 | 137.4 | -52.6 | 170.9 | 0 | 0 | 0 | 119.3 | ||||
| 285 | G | 40.5 | Very low | 47.6 | Very low | 76 Ų | 76 | 143.2 Ų | 143.2 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | trans | 127.2 | 119 | 143.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 286 | P | 49.6 | Very low | 48 | Very low | 127 Ų | 127 | 146.4 Ų | 146.4 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -99.1 | 169.6 | -155.5 | 39.5 | -36.4 | 0 | 0 | 0 | 115.4 | ||||
| 287 | G | 40.9 | Very low | 48.5 | Very low | 54 Ų | 54 | 150.4 Ų | 150.4 | 56% | 0.557 | 80% | 0.797 | S | S | * | * | trans | 92.6 | 98.4 | 134.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 288 | R | 53.5 | Low | 49.1 | Very low | 229 Ų | 229 | 150.1 Ų | 150.1 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -175.3 | 101.6 | 139.4 | 43.8 | -164 | 166.7 | -82.9 | 2.1 | 108.8 | ||||
| 289 | E | 47.5 | Very low | 49.2 | Very low | 161 Ų | 161 | 149.3 Ų | 149.3 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -76.3 | 131.2 | 168.3 | 39.1 | -87 | 142.3 | 0 | 0 | 110.4 | ||||
| 290 | D | 52.4 | Low | 49.7 | Very low | 150 Ų | 150 | 147 Ų | 147 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | -159 | 90.6 | 157.8 | -85.1 | -39.3 | 0 | 0 | 0 | 106.6 | ||||
| 291 | I | 52.9 | Low | 49.8 | Very low | 147 Ų | 147 | 143.6 Ų | 143.6 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | 58.5 | 71.1 | 93.5 | -51.3 | 163.2 | 0 | 0 | 0 | 112.5 | |||||
| 292 | W | 51.5 | Low | 50.3 | Low | 232 Ų | 232 | 142.7 Ų | 142.7 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | -162.1 | 104.1 | 142.6 | -135.9 | -56 | 0 | 0 | 0 | 110.8 | ||||
| 293 | S | 49.9 | Very low | 50.8 | Low | 119 Ų | 119 | 145 Ų | 145 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -137.2 | 107 | 168.6 | -79.7 | 0 | 0 | 0 | 0 | 109.5 | K295 | S293-K295 PolarHBondContact O-N 3.36Š| ||
| 294 | P | 63.5 | Low | 51.7 | Low | 104 Ų | 104 | 146.5 Ų | 146.5 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | trans | -76.5 | 116.2 | 168.1 | -17.7 | 33.4 | 0 | 0 | 0 | 110.7 | R296 | P294-R296 PolarHBondContact O-N 3.41Š| ||
| 295 | K | 47 | Very low | 52.2 | Low | 210 Ų | 210 | 146 Ų | 146 | 91% | 0.913 | 79% | 0.786 | S | S | * | * | trans | -47 | 127.2 | 170.3 | -74.1 | -171.2 | 174.8 | -178.6 | 0 | 111.8 | S293 | S293-K295 PolarHBondContact O-N 3.36Š| ||
| 296 | R | 55.7 | Low | 53.1 | Low | 241 Ų | 241 | 147.3 Ų | 147.3 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | trans | -128.5 | 132.6 | 152 | -63.2 | -166 | -146.3 | 170.8 | 8.3 | 109.7 | P294 | P294-R296 PolarHBondContact O-N 3.41Š| ||
| 297 | K | 60 | Low | 53.7 | Low | 184 Ų | 184 | 150.8 Ų | 150.8 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | -70.1 | 149.6 | -174.4 | -62 | -175 | 176.6 | -178.2 | 0 | 111.6 | ||||
| 298 | P | 56 | Low | 54.7 | Low | 129 Ų | 129 | 149.4 Ų | 149.4 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | trans | -86.1 | 110.8 | 170 | 33 | -27.3 | 0 | 0 | 0 | 109.6 | ||||
| 299 | N | 51.4 | Low | 55.1 | Low | 137 Ų | 137 | 145.5 Ų | 145.5 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | trans | -102.7 | 109.2 | 167.6 | -70.8 | 8.3 | 0 | 0 | 0 | 109.1 | ||||
| 300 | S | 52.1 | Low | 55.8 | Low | 111 Ų | 111 | 144.8 Ų | 144.8 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | trans | 39.3 | 125.2 | 144.2 | 67.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 301 | S | 50.2 | Low | 56.4 | Low | 92 Ų | 92 | 143.5 Ų | 143.5 | 64% | 0.643 | 74% | 0.742 | S | S | * | * | trans | 98.5 | 110.3 | 143 | -155.1 | 0 | 0 | 0 | 0 | 117.3 | H303 | S301-H303 PolarHBondContact O-N 2.94Š| ||
| 302 | P | 50 | Low | 57 | Low | 124 Ų | 124 | 143.3 Ų | 143.3 | 81% | 0.805 | 74% | 0.742 | S | S | * | * | trans | -87.3 | 92.9 | 171.4 | 34.8 | -25.9 | 0 | 0 | 0 | 108.6 | S304 | P302-S304 PolarHBondContact O-N 3.35Š| ||
| 303 | H | 56.2 | Low | 57.8 | Low | 168 Ų | 168 | 143 Ų | 143 | 78% | 0.778 | 74% | 0.741 | S | S | * | * | trans | -86.1 | 97.4 | 151.3 | -86 | -74.8 | 0 | 0 | 0 | 107 | S301 L305 | S301-H303 PolarHBondContact O-N 2.94Å; H303-L305 PolarHBondContact O-N 3.47Å | ||
| 304 | S | 58.6 | Low | 58.8 | Low | 98 Ų | 98 | 143 Ų | 143 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | trans | -55.8 | 108.6 | 163.3 | 46.4 | 0 | 0 | 0 | 0 | 107.9 | P302 I306 | P302-S304 PolarHBondContact O-N 3.35Å; S304-I306 PolarHBondContact O-N 2.9Å | ||
| 305 | L | 57.1 | Low | 59.2 | Low | 174 Ų | 174 | 144.1 Ų | 144.1 | 91% | 0.911 | 74% | 0.743 | S | S | * | * | trans | -66 | 91.2 | 169.3 | -74.9 | 164.2 | 0 | 0 | 0 | 107.4 | H303 F307 | H303-L305 PolarHBondContact O-N 3.47Å; L305-F307 VanDerWaalsContact C-N 3.35Å; L305-F307 PolarHBondContact O-N 2.7Å | ||
| 306 | I | 59 | Low | 60.1 | Low | 102 Ų | 102 | 141.5 Ų | 141.5 | 52% | 0.523 | 74% | 0.739 | S | S | . | * | trans | -65.4 | 100.3 | 165 | -74.1 | 166.9 | 0 | 0 | 0 | 106.5 | S304 G308 Q309 | S304-I306 PolarHBondContact O-N 2.9Å; I306-G308 PolarHBondContact O-N 2.77Å; I306-Q309 HydrophobicContact CG2-CB 4.23Å; I306-Q309 HydrophobicContact CG2-CG 4.05Å | ||
| 307 | F | 61.8 | Low | 60.5 | Low | 200 Ų | 200 | 141 Ų | 141 | 88% | 0.877 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.7 | 123.4 | 172.2 | -161.5 | -92.3 | 0 | 0 | 0 | 109.1 | L305 | L305-F307 VanDerWaalsContact C-N 3.35Å; L305-F307 PolarHBondContact O-N 2.7Å |
| 308 | G | 61.7 | Low | 60.8 | Low | 26 Ų | 26 | 142.8 Ų | 142.8 | 27% | 0.268 | 74% | 0.739 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 103.4 | -7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | I306 H310 I311 | I306-G308 PolarHBondContact O-N 2.77Å; G308-H310 VanDerWaalsContact C-N 3.34Å; G308-H310 PolarHBondContact O-N 3.39Å; G308-I311 PolarHBondContact O-N 3.14Å |
| 309 | Q | 63 | Low | 61.5 | Low | 146 Ų | 146 | 142.3 Ų | 142.3 | 68% | 0.682 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -20.1 | 179 | -108.7 | 177.5 | 0.7 | 0 | 0 | 114.5 | I306 | I306-Q309 HydrophobicContact CG2-CB 4.23Å; I306-Q309 HydrophobicContact CG2-CG 4.05Å |
| 310 | H | 62 | Low | 62.3 | Low | 147 Ų | 147 | 143.3 Ų | 143.3 | 68% | 0.681 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -11.9 | 177.2 | 59.3 | -91.9 | 0 | 0 | 0 | 113.8 | G308 | G308-H310 VanDerWaalsContact C-N 3.34Å; G308-H310 PolarHBondContact O-N 3.39Å |
| 311 | I | 65.4 | Low | 63 | Low | 122 Ų | 122 | 148 Ų | 148 | 63% | 0.626 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -21.9 | -176.2 | -53.6 | -179.8 | 0 | 0 | 0 | 111.5 | G308 | G308-I311 PolarHBondContact O-N 3.14Š|
| 312 | L | 65.2 | Low | 63.7 | Low | 144 Ų | 144 | 148.6 Ų | 148.6 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | trans | -112 | 82.1 | -180 | -67.1 | 169.3 | 0 | 0 | 0 | 109.9 | P314 | L312-P314 WeakPolarHBondContact O-CD 3.33Š| ||
| 313 | R | 69 | Low | 64.1 | Low | 225 Ų | 225 | 154 Ų | 154 | 85% | 0.849 | 78% | 0.78 | S | S | * | * | trans | -66.4 | 128.3 | 164.9 | -72.1 | -176 | 177.1 | 166.2 | -0.3 | 108.8 | V315 | R313-V315 PolarHBondContact O-N 3.08Å; R313-V315 VanDerWaalsContact O-N 3.14Å | ||
| 314 | P | 69.5 | Low | 64.5 | Low | 120 Ų | 120 | 153.3 Ų | 153.3 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | trans | -59.4 | 117.5 | 169.6 | -20.1 | 31.2 | 0 | 0 | 0 | 109.8 | L312 N316 | L312-P314 WeakPolarHBondContact O-CD 3.33Å; P314-N316 PolarHBondContact O-N 3.17Å | ||
| 315 | V | 72.8 | Confident | 64.8 | Low | 126 Ų | 126 | 156.2 Ų | 156.2 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | -71.2 | 106.8 | 167.2 | 171.5 | 0 | 0 | 0 | 0 | 107.1 | R313 R317 | R313-V315 PolarHBondContact O-N 3.08Å; R313-V315 VanDerWaalsContact O-N 3.14Å; V315-R317 PolarHBondContact O-N 2.95Å | ||
| 316 | N | 64.6 | Low | 65.2 | Low | 155 Ų | 155 | 155.2 Ų | 155.2 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | trans | -54.2 | 102.7 | 170.9 | -86.9 | -28.9 | 0 | 0 | 0 | 110.1 | P314 | P314-N316 PolarHBondContact O-N 3.17Š| ||
| 317 | R | 64.8 | Low | 65.6 | Low | 231 Ų | 231 | 158.4 Ų | 158.4 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | trans | -85.5 | 112.7 | 162.4 | -67.1 | -172 | -175.9 | 172.7 | 2.1 | 107.5 | V315 | V315-R317 PolarHBondContact O-N 2.95Š| ||
| 318 | R | 67.1 | Low | 65.8 | Low | 222 Ų | 222 | 155.8 Ų | 155.8 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -61.4 | 140.9 | 171.5 | -69.7 | 179.9 | 178.2 | 163.5 | -0.9 | 109.6 | ||||
| 319 | P | 69.9 | Low | 66.1 | Low | 119 Ų | 119 | 164.4 Ų | 164.4 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | trans | -80.8 | 113.9 | 164.7 | 30.7 | -28.1 | 0 | 0 | 0 | 108.8 | K321 | P319-K321 PolarHBondContact O-N 3.41Š| ||
| 320 | D | 68 | Low | 66.3 | Low | 157 Ų | 157 | 165.7 Ų | 165.7 | 84% | 0.84 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 122.4 | 164.6 | -72.2 | -31.9 | 0 | 0 | 0 | 108.4 | ||
| 321 | K | 66.5 | Low | 66.7 | Low | 209 Ų | 209 | 167.2 Ų | 167.2 | 91% | 0.909 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -70 | 125.5 | 177.9 | -69.1 | 176.3 | 176.2 | 178.7 | 0 | 109.1 | P319 | P319-K321 PolarHBondContact O-N 3.41Š|
| 322 | A | 66.5 | Low | 66.8 | Low | 105 Ų | 105 | 170.9 Ų | 170.9 | 87% | 0.868 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 133.5 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 323 | N | 57.7 | Low | 66.9 | Low | 238 Ų | 238 | 173.4 Ų | 173.4 | 100% | 1.273 | 87% | 0.872 | S | S | * | * | trans | -135.3 | 0 | 152.1 | -153.6 | 31.5 | 0 | 0 | 0 | 106.6 |
Retrieved 323 of 323 residues in 134.3 ms
(Link to these results)