| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 45.1 | Very low | 37.2 | Very low | 234 Ų | 234 | 154.5 Ų | 154.5 | 100% | 1.153 | 82% | 0.822 | S | S | * | * | 0 | 104.4 | 0 | -72 | 157.3 | 76.7 | 0 | 0 | 107.7 | |||||
| 2 | N | 37.7 | Very low | 36.6 | Very low | 170 Ų | 170 | 152.4 Ų | 152.4 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | trans | 174.3 | 120.6 | 137.3 | -89.1 | -5.6 | 0 | 0 | 0 | 109 | ||||
| 3 | S | 41.8 | Very low | 36.1 | Very low | 94 Ų | 94 | 148.1 Ų | 148.1 | 66% | 0.657 | 83% | 0.826 | S | S | * | * | trans | -82.2 | 149.5 | -177.9 | 178.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 4 | S | 43.4 | Very low | 35.7 | Very low | 126 Ų | 126 | 144.2 Ų | 144.2 | 88% | 0.881 | 81% | 0.814 | S | S | * | * | trans | -155.9 | 97.7 | 155.7 | -70 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 5 | H | 44.5 | Very low | 35.4 | Very low | 178 Ų | 178 | 144.3 Ų | 144.3 | 82% | 0.824 | 82% | 0.818 | S | S | * | * | trans | -59.3 | 146.6 | 161.7 | -85.9 | -88.2 | 0 | 0 | 0 | 110.9 | ||||
| 6 | S | 34.3 | Very low | 35 | Very low | 123 Ų | 123 | 146.1 Ų | 146.1 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -138.8 | 127.9 | 147.2 | 55.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 7 | F | 37.7 | Very low | 34.5 | Very low | 159 Ų | 159 | 143.2 Ų | 143.2 | 70% | 0.697 | 81% | 0.809 | S | S | * | * | trans | -103.7 | 133.6 | -178.2 | -171 | -93.7 | 0 | 0 | 0 | 105.2 | Q9 | F7-Q9 HydrophobicContact CD1-CB 4.23Å; F7-Q9 HydrophobicContact CE1-CB 3.72Å; F7-Q9 HydrophobicContact CE1-CG 4.46Å | ||
| 8 | N | 33.2 | Very low | 34.3 | Very low | 169 Ų | 169 | 144.9 Ų | 144.9 | 90% | 0.904 | 82% | 0.815 | S | S | * | * | trans | -142.5 | 117.6 | 160.8 | -94 | -26.9 | 0 | 0 | 0 | 110.4 | ||||
| 9 | Q | 32.1 | Very low | 33.9 | Very low | 124 Ų | 124 | 141.3 Ų | 141.3 | 58% | 0.579 | 81% | 0.813 | S | S | * | * | trans | -110.3 | 119.3 | -176.1 | 177 | 177.2 | 53.9 | 0 | 0 | 106.1 | F7 Y11 | F7-Q9 HydrophobicContact CD1-CB 4.23Å; F7-Q9 HydrophobicContact CE1-CB 3.72Å; F7-Q9 HydrophobicContact CE1-CG 4.46Å; Q9-Y11 HydrophobicContact CG-CD2 4.19Å; Q9-Y11 HydrophobicContact CG-CE2 4.18Å | ||
| 10 | T | 29.2 | Very low | 33.7 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | trans | -97.7 | 106.9 | 175 | -38.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 11 | Y | 30.8 | Very low | 33.4 | Very low | 182 Ų | 182 | 139.3 Ų | 139.3 | 71% | 0.714 | 81% | 0.811 | S | S | * | * | trans | -81 | 139.4 | 157.4 | -87 | -93 | 0 | 0 | 0 | 108.9 | Q9 | Q9-Y11 HydrophobicContact CG-CD2 4.19Å; Q9-Y11 HydrophobicContact CG-CE2 4.18Å | ||
| 12 | S | 29.3 | Very low | 32.6 | Very low | 130 Ų | 130 | 140.2 Ų | 140.2 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -159.4 | 133.8 | 135.7 | -86.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 13 | A | 29.8 | Very low | 32.1 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 79% | 0.793 | 79% | 0.794 | S | S | * | * | trans | -90.1 | 158.7 | -166.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 14 | S | 31.1 | Very low | 31.6 | Very low | 94 Ų | 94 | 141.6 Ų | 141.6 | 66% | 0.657 | 80% | 0.802 | S | S | * | * | trans | -63.5 | 148.6 | 164.2 | 172.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 15 | V | 31.4 | Very low | 31 | Very low | 145 Ų | 145 | 143.1 Ų | 143.1 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -143 | 126.5 | 149.5 | -96.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 16 | H | 28.1 | Very low | 30.3 | Very low | 174 Ų | 174 | 138.1 Ų | 138.1 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | trans | -56.7 | 165.2 | 161.8 | -66.7 | -79.5 | 0 | 0 | 0 | 111.4 | ||||
| 17 | S | 27.8 | Very low | 30.2 | Very low | 96 Ų | 96 | 136.6 Ų | 136.6 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | cis | 179.4 | 163.3 | 10.6 | 152.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 18 | L | 30.5 | Very low | 29.7 | Very low | 174 Ų | 174 | 134.6 Ų | 134.6 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | trans | 69.3 | 131.5 | 150.1 | -114.1 | 68.5 | 0 | 0 | 0 | 123.1 | ||||
| 19 | G | 26.1 | Very low | 29.6 | Very low | 76 Ų | 76 | 135.6 Ų | 135.6 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | trans | 160.4 | 82.8 | 152.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 20 | S | 29.5 | Very low | 29.6 | Very low | 109 Ų | 109 | 141.6 Ų | 141.6 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -56 | 147.6 | 172.3 | -62.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 21 | T | 28.1 | Very low | 29.8 | Very low | 133 Ų | 133 | 138.9 Ų | 138.9 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | 164.5 | 130.9 | 104.8 | 33.1 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 22 | R | 28.7 | Very low | 29.9 | Very low | 253 Ų | 253 | 136.2 Ų | 136.2 | 96% | 0.955 | 80% | 0.799 | S | S | * | * | trans | 72.7 | 118.8 | 130.9 | -159.8 | 175.4 | -174.2 | 173.1 | 0.9 | 119.9 | ||||
| 23 | G | 27.4 | Very low | 30.1 | Very low | 73 Ų | 73 | 134.9 Ų | 134.9 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | 167.2 | 62.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 24 | R | 29.7 | Very low | 30.6 | Very low | 219 Ų | 219 | 136.8 Ų | 136.8 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | trans | 19.6 | 131.1 | 142.7 | -144.4 | -178 | 175.3 | -133.3 | 1.2 | 121.5 | ||||
| 25 | Q | 31.8 | Very low | 30.7 | Very low | 158 Ų | 158 | 140.8 Ų | 140.8 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | trans | 56.4 | 117.9 | 143.1 | -82.1 | 170.9 | -13.2 | 0 | 0 | 120.9 | ||||
| 26 | G | 29 | Very low | 30.9 | Very low | 74 Ų | 74 | 137.8 Ų | 137.8 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | trans | -164.1 | 94.8 | 152.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 27 | S | 32 | Very low | 31.2 | Very low | 90 Ų | 90 | 133 Ų | 133 | 63% | 0.629 | 80% | 0.795 | S | S | * | * | trans | -76.6 | 125.3 | 162.1 | 57.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 28 | C | 28.4 | Very low | 31.9 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -132.6 | 118.8 | 159.9 | -77.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 29 | H | 31.3 | Very low | 32.3 | Very low | 190 Ų | 190 | 129.3 Ų | 129.3 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | trans | -64 | 134.9 | 170.1 | -62.9 | -80.5 | 0 | 0 | 0 | 109.7 | ||||
| 30 | R | 31.2 | Very low | 33 | Very low | 249 Ų | 249 | 129.2 Ų | 129.2 | 94% | 0.94 | 80% | 0.802 | S | S | * | * | trans | -130.7 | 130.6 | 161.4 | -159.8 | 174.5 | -166 | 177.1 | 3.7 | 110 | ||||
| 31 | A | 34.7 | Very low | 33.6 | Very low | 84 Ų | 84 | 130.4 Ų | 130.4 | 69% | 0.694 | 80% | 0.804 | S | S | * | * | trans | -63.5 | 159.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S33 | A31-S33 PolarHBondContact O-N 3.47Š| ||
| 32 | P | 32.8 | Very low | 34 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -76.4 | 125.1 | -176.7 | 31.9 | -31.2 | 0 | 0 | 0 | 110.1 | ||||
| 33 | S | 32.1 | Very low | 34.4 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | -98.2 | 113.5 | 166.2 | 63 | 0 | 0 | 0 | 0 | 109.3 | A31 | A31-S33 PolarHBondContact O-N 3.47Š| ||
| 34 | V | 40.1 | Very low | 34.8 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | -67.9 | 124.9 | 169.7 | 171.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 35 | H | 33.3 | Very low | 35 | Very low | 178 Ų | 178 | 129.8 Ų | 129.8 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | -115.5 | 120.2 | 159.4 | -89.3 | 65.2 | 0 | 0 | 0 | 108.1 | ||||
| 36 | G | 36.7 | Very low | 35 | Very low | 82 Ų | 82 | 127.7 Ų | 127.7 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | -83.1 | 131.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 37 | G | 34.2 | Very low | 35.3 | Very low | 74 Ų | 74 | 132.2 Ų | 132.2 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | trans | -136.3 | 139.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 38 | A | 42 | Very low | 35.4 | Very low | 115 Ų | 115 | 134 Ų | 134 | 95% | 0.95 | 81% | 0.812 | S | S | * | * | trans | -61.2 | 140.4 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 39 | G | 39.7 | Very low | 35.8 | Very low | 78 Ų | 78 | 133.1 Ų | 133.1 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | 144.2 | 110.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 40 | G | 40.3 | Very low | 36.1 | Very low | 73 Ų | 73 | 129.8 Ų | 129.8 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | -66.4 | 150.9 | -167.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 41 | V | 41.5 | Very low | 36.2 | Very low | 134 Ų | 134 | 121.5 Ų | 121.5 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | 64.4 | 92.6 | 145.7 | -163.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 42 | R | 37.1 | Very low | 36.1 | Very low | 236 Ų | 236 | 123.9 Ų | 123.9 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | 172.8 | 102.7 | 118.2 | -88.4 | 178.4 | -155.3 | -90.4 | 0.7 | 109.5 | |||||
| 43 | I | 37.3 | Very low | 36.3 | Very low | 155 Ų | 155 | 125.9 Ų | 125.9 | 80% | 0.795 | 80% | 0.804 | S | S | * | * | trans | -94.2 | 114 | 165.2 | -61.4 | 172.8 | 0 | 0 | 0 | 106.6 | L45 | I43-L45 HydrophobicContact CG2-CD2 3.91Å; I43-L45 HydrophobicContact CG2-CG 4.11Å | ||
| 44 | S | 36 | Very low | 36.9 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -81.5 | 111.6 | 168.2 | -125.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 45 | L | 33.9 | Very low | 36.9 | Very low | 155 Ų | 155 | 126 Ų | 126 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | -93.2 | 108 | 170.9 | -65.7 | 172.7 | 0 | 0 | 0 | 108.3 | I43 F47 | I43-L45 HydrophobicContact CG2-CD2 3.91Å; I43-L45 HydrophobicContact CG2-CG 4.11Å; L45-F47 PolarHBondContact O-N 3.01Å | ||
| 46 | S | 32.1 | Very low | 37.1 | Very low | 114 Ų | 114 | 121.5 Ų | 121.5 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | -76.8 | 103.4 | 169 | -7.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 47 | F | 34.8 | Very low | 37.1 | Very low | 169 Ų | 169 | 120.8 Ų | 120.8 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | trans | -82.8 | 111.7 | 167.8 | -176.7 | -100.5 | 0 | 0 | 0 | 108.6 | L45 T49 | L45-F47 PolarHBondContact O-N 3.01Å; F47-T49 WeakPolarHBondContact CD1-OG1 3.33Å; F47-T49 HydrophobicContact CE1-CG2 3.89Å; F47-T49 WeakPolarHBondContact CE1-OG1 3.45Å; F47-T49 PolarHBondContact O-N 3.26Å | ||
| 48 | T | 33.5 | Very low | 37.3 | Very low | 127 Ų | 127 | 123 Ų | 123 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | -88.8 | 94.8 | 166.7 | 42.8 | 0 | 0 | 0 | 0 | 108.9 | P50 | T48-P50 WeakPolarHBondContact O-CD 3.46Š| ||
| 49 | T | 37.8 | Very low | 37.2 | Very low | 100 Ų | 100 | 129.6 Ų | 129.6 | 61% | 0.613 | 80% | 0.804 | S | S | * | * | trans | -65.1 | 124.5 | 163 | -31.5 | 0 | 0 | 0 | 0 | 108.9 | F47 G51 | F47-T49 WeakPolarHBondContact CD1-OG1 3.33Å; F47-T49 HydrophobicContact CE1-CG2 3.89Å; F47-T49 WeakPolarHBondContact CE1-OG1 3.45Å; F47-T49 PolarHBondContact O-N 3.26Å; T49-G51 PolarHBondContact O-N 2.76Å | ||
| 50 | P | 36.9 | Very low | 37.1 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | trans | -79.3 | 111.2 | 163.5 | -4.5 | 22.8 | 0 | 0 | 0 | 108.1 | T48 | T48-P50 WeakPolarHBondContact O-CD 3.46Š| ||
| 51 | G | 33.8 | Very low | 37.1 | Very low | 75 Ų | 75 | 131.9 Ų | 131.9 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -76.2 | 127.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | T49 | T49-G51 PolarHBondContact O-N 2.76Š| ||
| 52 | C | 32.4 | Very low | 36.8 | Very low | 134 Ų | 134 | 128.7 Ų | 128.7 | 91% | 0.905 | 80% | 0.802 | S | S | * | * | trans | -122 | 123.5 | 159.9 | -92.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 53 | L | 37.5 | Very low | 37.2 | Very low | 167 Ų | 167 | 129.3 Ų | 129.3 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -73.4 | 164.2 | 170.1 | -82.8 | 163.5 | 0 | 0 | 0 | 111.1 | ||||
| 54 | P | 44.5 | Very low | 37.3 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | trans | -91.1 | 164.6 | -155.2 | 37.3 | -34.8 | 0 | 0 | 0 | 113.2 | ||||
| 55 | P | 40.1 | Very low | 37.8 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | trans | -122.6 | 115.6 | 147.8 | 8.5 | 13.2 | 0 | 0 | 0 | 110.9 | ||||
| 56 | G | 37.8 | Very low | 39 | Very low | 84 Ų | 84 | 124.5 Ų | 124.5 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | trans | -67.5 | 135.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 57 | G | 35.2 | Very low | 39.5 | Very low | 66 Ų | 66 | 126.3 Ų | 126.3 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | trans | -149.5 | 79.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | W59 | G57-W59 PolarHBondContact O-N 2.92Š| ||
| 58 | S | 38.9 | Very low | 40 | Very low | 122 Ų | 122 | 126.3 Ų | 126.3 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -78.4 | 103.6 | 170.3 | -179.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 59 | W | 40.8 | Very low | 40.7 | Very low | 253 Ų | 253 | 124.3 Ų | 124.3 | 96% | 0.958 | 81% | 0.806 | S | S | * | * | trans | -104.8 | 101.8 | 167.8 | -75.8 | 8 | 0 | 0 | 0 | 108.3 | G57 | G57-W59 PolarHBondContact O-N 2.92Š| ||
| 60 | G | 36.7 | Very low | 41.3 | Very low | 72 Ų | 72 | 123.2 Ų | 123.2 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | -72.3 | 135.3 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 61 | S | 39.6 | Very low | 42.4 | Very low | 127 Ų | 127 | 123 Ų | 123 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | trans | -164.2 | 125.2 | 143.5 | -136.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 62 | G | 36.8 | Very low | 43.6 | Very low | 67 Ų | 67 | 121.8 Ų | 121.8 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | trans | 70.8 | 88.8 | 135.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | S64 | G62-S64 PolarHBondContact O-N 2.75Š| ||
| 63 | R | 44 | Very low | 45.6 | Very low | 249 Ų | 249 | 123.5 Ų | 123.5 | 94% | 0.94 | 79% | 0.787 | S | S | * | * | trans | -54.8 | 116.9 | 142.8 | -101.6 | 174.9 | 79.8 | -137 | 9.3 | 109.1 | ||||
| 64 | S | 40.9 | Very low | 47.3 | Very low | 114 Ų | 114 | 118.1 Ų | 118.1 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | trans | -154 | 108.8 | 142.1 | 34.9 | 0 | 0 | 0 | 0 | 108.6 | G62 | G62-S64 PolarHBondContact O-N 2.75Š| ||
| 65 | S | 45.2 | Very low | 48.6 | Very low | 107 Ų | 107 | 116.1 Ų | 116.1 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | -71.1 | -176.5 | 168.1 | -36.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 66 | P | 59.4 | Low | 50.5 | Low | 107 Ų | 107 | 114.8 Ų | 114.8 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | cis | -133.7 | -175.7 | -15.8 | 24.5 | 0.1 | 0 | 0 | 0 | 111.8 | ||||
| 67 | L | 42.8 | Very low | 52.7 | Low | 151 Ų | 151 | 116.1 Ų | 116.1 | 79% | 0.791 | 72% | 0.72 | S | S | * | * | trans | 152.2 | 106.5 | 133.3 | -76.1 | 164.3 | 0 | 0 | 0 | 114 | ||||
| 68 | L | 46.1 | Very low | 55 | Low | 169 Ų | 169 | 118 Ų | 118 | 89% | 0.885 | 71% | 0.714 | S | S | * | * | 45.6 | 111.4 | 128.6 | -106.4 | 65.9 | 0 | 0 | 0 | 121.6 | |||||
| 69 | G | 48.4 | Very low | 57.3 | Low | 86 Ų | 86 | 116.5 Ų | 116.5 | 89% | 0.887 | 70% | 0.696 | S | S | * | * | trans | 86.5 | 109.9 | 130.1 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 70 | G | 50 | Low | 59.5 | Low | 77 Ų | 77 | 108.8 Ų | 108.8 | 79% | 0.794 | 67% | 0.673 | S | S | * | * | trans | 134.5 | 21.2 | 156.3 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 71 | N | 59.1 | Low | 61.9 | Low | 116 Ų | 116 | 109.7 Ų | 109.7 | 62% | 0.62 | 66% | 0.662 | S | S | * | * | trans | -101.8 | 7.9 | -160.9 | -148.3 | 38.4 | 0 | 0 | 0 | 119 | T75 | N71-T75 WeakPolarHBondContact O-CG2 3.13Å; N71-T75 PolarHBondContact O-N 3.22Å; N71-T75 PolarHBondContact O-OG1 3.04Å | ||
| 72 | G | 59.9 | Low | 64.3 | Low | 50 Ų | 50 | 110.5 Ų | 110.5 | 52% | 0.515 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -74.4 | -30.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | T75 M76 | G72-T75 PolarHBondContact O-OG1 2.93Å; G72-M76 WeakPolarHBondContact O-CG 3.18Å; G72-M76 PolarHBondContact O-N 3.39Å |
| 73 | K | 74.2 | Confident | 66.9 | Low | 169 Ų | 169 | 112.2 Ų | 112.2 | 74% | 0.735 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -78.1 | -37.6 | -179.1 | -169.1 | 176.4 | 178.4 | -178.3 | 0 | 112 | M76 Q77 | K73-M76 PolarHBondContact O-N 3.23Å; K73-Q77 WeakPolarHBondContact O-CB 3.49Å; K73-Q77 PolarHBondContact O-N 2.84Å |
| 74 | A | 73.3 | Confident | 69.1 | Low | 54 Ų | 54 | 102.8 Ų | 102.8 | 45% | 0.446 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -69.8 | -36 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q77 N78 | A74-Q77 PolarHBondContact O-N 2.8Å; A74-N78 WeakPolarHBondContact O-CB 3.49Å; A74-N78 PolarHBondContact O-N 2.77Å |
| 75 | T | 72.3 | Confident | 71.6 | Confident | 69 Ų | 69 | 100.5 Ų | 100.5 | 42% | 0.423 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68.8 | -40.8 | 173.2 | 52.7 | 0 | 0 | 0 | 0 | 112 | N71 G72 Q77 N78 L79 | N71-T75 WeakPolarHBondContact O-CG2 3.13Å; N71-T75 PolarHBondContact O-N 3.22Å; N71-T75 PolarHBondContact O-OG1 3.04Å; G72-T75 PolarHBondContact O-OG1 2.93Å; T75-Q77 VanDerWaalsContact C-N 3.32Å; T75-Q77 PolarHBondContact O-N 3.13Å; T75-N78 PolarHBondContact O-N 3.33Å; T75-L79 WeakPolarHBondContact O-CG 3.28Å; T75-L79 PolarHBondContact O-N 2.84Å |
| 76 | M | 79.9 | Confident | 73.9 | Confident | 102 Ų | 102 | 101.9 Ų | 101.9 | 50% | 0.502 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.2 | -37.6 | 172.5 | -81.4 | -60.5 | -58.7 | 0 | 0 | 112.7 | G72 K73 L79 N80 | G72-M76 WeakPolarHBondContact O-CG 3.18Å; G72-M76 PolarHBondContact O-N 3.39Å; K73-M76 PolarHBondContact O-N 3.23Å; M76-L79 PolarHBondContact O-N 3.49Å; M76-L79 HydrophobicContact SD-CD1 4.5Å; M76-N80 WeakPolarHBondContact O-CB 3.43Å; M76-N80 VanDerWaalsContact O-CG 3.31Å; M76-N80 PolarHBondContact O-N 2.91Å |
| 77 | Q | 82.9 | Confident | 75.6 | Confident | 112 Ų | 112 | 101.1 Ų | 101.1 | 52% | 0.523 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.1 | -43.1 | 176.8 | -165.6 | 152.8 | -1.7 | 0 | 0 | 111.5 | K73 A74 T75 L79 N80 D81 | K73-Q77 WeakPolarHBondContact O-CB 3.49Å; K73-Q77 PolarHBondContact O-N 2.84Å; A74-Q77 PolarHBondContact O-N 2.8Å; T75-Q77 VanDerWaalsContact C-N 3.32Å; T75-Q77 PolarHBondContact O-N 3.13Å; Q77-L79 VanDerWaalsContact C-N 3.32Å; Q77-L79 PolarHBondContact O-N 2.58Å; Q77-N80 PolarHBondContact O-N 3.43Å; Q77-N80 VanDerWaalsContact O-N 3.17Å; Q77-D81 PolarHBondContact O-N 2.8Å |
| 78 | N | 83.8 | Confident | 78.1 | Confident | 104 Ų | 104 | 100.7 Ų | 100.7 | 56% | 0.556 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.8 | -38.6 | 173.9 | -173 | -95.7 | 0 | 0 | 0 | 113 | A74 T75 R82 | A74-N78 WeakPolarHBondContact O-CB 3.49Å; A74-N78 PolarHBondContact O-N 2.77Å; T75-N78 PolarHBondContact O-N 3.33Å; N78-R82 VanDerWaalsContact O-CB 3.27Å; N78-R82 WeakPolarHBondContact O-CB 3.45Å; N78-R82 PolarHBondContact O-N 3.5Å |
| 79 | L | 86.7 | Confident | 80.3 | Confident | 91 Ų | 91 | 99 Ų | 99 | 48% | 0.476 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68 | -40.1 | 174.6 | -72.3 | 172.2 | 0 | 0 | 0 | 112.1 | T75 M76 Q77 R82 L83 | T75-L79 WeakPolarHBondContact O-CG 3.28Å; T75-L79 PolarHBondContact O-N 2.84Å; M76-L79 PolarHBondContact O-N 3.49Å; M76-L79 HydrophobicContact SD-CD1 4.5Å; Q77-L79 VanDerWaalsContact C-N 3.32Å; Q77-L79 PolarHBondContact O-N 2.58Å; L79-R82 PolarHBondContact O-N 2.96Å; L79-L83 WeakPolarHBondContact O-CB 3.4Å; L79-L83 PolarHBondContact O-N 3.47Å |
| 80 | N | 87.7 | Confident | 82.6 | Confident | 91 Ų | 91 | 97.9 Ų | 97.9 | 49% | 0.487 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 175.6 | -77.6 | -12.7 | 0 | 0 | 0 | 111.9 | M76 Q77 R82 L83 A84 | M76-N80 WeakPolarHBondContact O-CB 3.43Å; M76-N80 VanDerWaalsContact O-CG 3.31Å; M76-N80 PolarHBondContact O-N 2.91Å; Q77-N80 PolarHBondContact O-N 3.43Å; Q77-N80 VanDerWaalsContact O-N 3.17Å; N80-R82 VanDerWaalsContact C-N 3.31Å; N80-R82 PolarHBondContact O-N 3.39Å; N80-L83 PolarHBondContact O-N 3.23Å; N80-A84 WeakPolarHBondContact O-CB 3.3Å; N80-A84 PolarHBondContact O-N 2.93Å |
| 81 | D | 87.9 | Confident | 84.7 | Confident | 92 Ų | 92 | 102.8 Ų | 102.8 | 49% | 0.492 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 175.2 | -64.5 | -24.9 | 0 | 0 | 0 | 110.6 | Q77 A84 T85 | Q77-D81 PolarHBondContact O-N 2.8Å; D81-A84 PolarHBondContact O-N 2.89Å; D81-T85 WeakPolarHBondContact O-CG2 3.42Å; D81-T85 PolarHBondContact O-N 2.92Å; D81-T85 PolarHBondContact O-OG1 3.32Å |
| 82 | R | 88.2 | Confident | 86.4 | Confident | 143 Ų | 143 | 100 Ų | 100 | 54% | 0.54 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.4 | -39.5 | 173.8 | -170 | 174.1 | 156 | -166.1 | -6 | 111.9 | N78 L79 N80 T85 Y86 | N78-R82 VanDerWaalsContact O-CB 3.27Å; N78-R82 WeakPolarHBondContact O-CB 3.45Å; N78-R82 PolarHBondContact O-N 3.5Å; L79-R82 PolarHBondContact O-N 2.96Å; N80-R82 VanDerWaalsContact C-N 3.31Å; N80-R82 PolarHBondContact O-N 3.39Å; R82-T85 WeakPolarHBondContact CA-OG1 3.26Å; R82-T85 PolarHBondContact O-N 3.2Å; R82-T85 PolarHBondContact O-OG1 2.94Å; R82-Y86 HydrophobicContact CG-CD2 4.13Å; R82-Y86 HydrophobicContact CG-CE2 4.23Å; R82-Y86 WeakPolarHBondContact O-CD2 3.14Å; R82-Y86 PolarHBondContact O-N 2.85Å |
| 83 | L | 92.1 | Very high | 88.1 | Confident | 103 Ų | 103 | 103.5 Ų | 103.5 | 54% | 0.539 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67 | -40 | 175.3 | -175.6 | 131 | 0 | 0 | 0 | 111.6 | L79 N80 Y86 L87 | L79-L83 WeakPolarHBondContact O-CB 3.4Å; L79-L83 PolarHBondContact O-N 3.47Å; N80-L83 PolarHBondContact O-N 3.23Å; L83-Y86 PolarHBondContact O-N 3.35Å; L83-L87 HydrophobicContact CD2-CD1 3.65Å; L83-L87 HydrophobicContact CD2-CG 4.27Å; L83-L87 HydrophobicContact CG-CD1 4.43Å; L83-L87 WeakPolarHBondContact O-CG 3.45Å; L83-L87 PolarHBondContact O-N 3.38Å |
| 84 | A | 91.4 | Very high | 89.1 | Confident | 52 Ų | 52 | 101.3 Ų | 101.3 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | N80 D81 Y86 L87 E88 | N80-A84 WeakPolarHBondContact O-CB 3.3Å; N80-A84 PolarHBondContact O-N 2.93Å; D81-A84 PolarHBondContact O-N 2.89Å; A84-Y86 VanDerWaalsContact C-N 3.31Å; A84-Y86 PolarHBondContact O-N 3.43Å; A84-L87 PolarHBondContact O-N 3.29Å; A84-E88 WeakPolarHBondContact O-CB 3.13Å; A84-E88 PolarHBondContact O-N 3.4Å |
| 85 | T | 92.4 | Very high | 90.1 | Very high | 66 Ų | 66 | 103.9 Ų | 103.9 | 41% | 0.405 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.1 | -32.1 | 175.2 | 55.8 | 0 | 0 | 0 | 0 | 113.1 | D81 R82 K89 | D81-T85 WeakPolarHBondContact O-CG2 3.42Å; D81-T85 PolarHBondContact O-N 2.92Å; D81-T85 PolarHBondContact O-OG1 3.32Å; R82-T85 WeakPolarHBondContact CA-OG1 3.26Å; R82-T85 PolarHBondContact O-N 3.2Å; R82-T85 PolarHBondContact O-OG1 2.94Å; T85-K89 VanDerWaalsContact O-CG 3.3Å; T85-K89 WeakPolarHBondContact O-CG 3.4Å; T85-K89 PolarHBondContact O-N 2.82Å; T85-K89 VanDerWaalsContact O-N 3.07Å |
| 86 | Y | 94.4 | Very high | 91.2 | Very high | 135 Ų | 135 | 102.7 Ų | 102.7 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.6 | -45.5 | 171.7 | -99.4 | -82.4 | 0 | 0 | 0 | 112.1 | R82 L83 A84 E88 K89 V90 | R82-Y86 HydrophobicContact CG-CD2 4.13Å; R82-Y86 HydrophobicContact CG-CE2 4.23Å; R82-Y86 WeakPolarHBondContact O-CD2 3.14Å; R82-Y86 PolarHBondContact O-N 2.85Å; L83-Y86 PolarHBondContact O-N 3.35Å; A84-Y86 VanDerWaalsContact C-N 3.31Å; A84-Y86 PolarHBondContact O-N 3.43Å; Y86-E88 VanDerWaalsContact C-N 3.3Å; Y86-E88 PolarHBondContact O-N 2.87Å; Y86-K89 WeakPolarHBondContact O-CB 3.44Å; Y86-K89 PolarHBondContact O-N 3.49Å; Y86-V90 WeakPolarHBondContact O-CG2 3.36Å; Y86-V90 PolarHBondContact O-N 2.96Å |
| 87 | L | 94.5 | Very high | 91.9 | Very high | 91 Ų | 91 | 102.1 Ų | 102.1 | 48% | 0.476 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -37.5 | 177.4 | -71.9 | 176.3 | 0 | 0 | 0 | 111.9 | L83 A84 V90 R91 | L83-L87 HydrophobicContact CD2-CD1 3.65Å; L83-L87 HydrophobicContact CD2-CG 4.27Å; L83-L87 HydrophobicContact CG-CD1 4.43Å; L83-L87 WeakPolarHBondContact O-CG 3.45Å; L83-L87 PolarHBondContact O-N 3.38Å; A84-L87 PolarHBondContact O-N 3.29Å; L87-V90 PolarHBondContact O-N 3.42Å; L87-R91 WeakPolarHBondContact O-CG 3.47Å; L87-R91 PolarHBondContact O-N 3.11Å |
| 88 | E | 94.2 | Very high | 92.5 | Very high | 142 Ų | 142 | 99.4 Ų | 99.4 | 66% | 0.664 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.7 | -39.5 | 175.3 | -167.7 | 157.8 | -146.8 | 0 | 0 | 111.8 | A84 Y86 R91 A92 | A84-E88 WeakPolarHBondContact O-CB 3.13Å; A84-E88 PolarHBondContact O-N 3.4Å; Y86-E88 VanDerWaalsContact C-N 3.3Å; Y86-E88 PolarHBondContact O-N 2.87Å; E88-R91 PolarHBondContact O-N 3.44Å; E88-A92 WeakPolarHBondContact O-CB 3.2Å; E88-A92 PolarHBondContact O-N 2.87Å |
| 89 | K | 94.1 | Very high | 93.1 | Very high | 133 Ų | 133 | 99 Ų | 99 | 58% | 0.578 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.9 | -40.9 | 171.2 | -76.1 | 174.8 | -178.4 | 179.6 | 0 | 112.8 | T85 Y86 A92 L93 | T85-K89 VanDerWaalsContact O-CG 3.3Å; T85-K89 WeakPolarHBondContact O-CG 3.4Å; T85-K89 PolarHBondContact O-N 2.82Å; T85-K89 VanDerWaalsContact O-N 3.07Å; Y86-K89 WeakPolarHBondContact O-CB 3.44Å; Y86-K89 PolarHBondContact O-N 3.49Å; K89-A92 PolarHBondContact O-N 3.25Å; K89-L93 WeakPolarHBondContact O-CB 3.32Å; K89-L93 VanDerWaalsContact O-CG 3.32Å; K89-L93 WeakPolarHBondContact O-CG 3.28Å; K89-L93 PolarHBondContact O-N 3.26Å |
| 90 | V | 95.8 | Very high | 93.5 | Very high | 64 Ų | 64 | 98.8 Ų | 98.8 | 39% | 0.388 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 176.6 | 170.3 | 0 | 0 | 0 | 0 | 110.2 | Y86 L87 A92 L93 E94 | Y86-V90 WeakPolarHBondContact O-CG2 3.36Å; Y86-V90 PolarHBondContact O-N 2.96Å; L87-V90 PolarHBondContact O-N 3.42Å; V90-A92 PolarHBondContact O-N 3.3Å; V90-L93 PolarHBondContact O-N 3.47Å; V90-E94 HydrophobicContact CG1-CG 4.34Å; V90-E94 WeakPolarHBondContact O-CG 3.48Å; V90-E94 PolarHBondContact O-N 2.86Å |
| 91 | R | 94.3 | Very high | 93.7 | Very high | 180 Ų | 180 | 99.7 Ų | 99.7 | 68% | 0.679 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.4 | -43 | 175.9 | -73.1 | 179.1 | -176.2 | 170.9 | 1.9 | 112.6 | L87 E88 L93 E94 E95 | L87-R91 WeakPolarHBondContact O-CG 3.47Å; L87-R91 PolarHBondContact O-N 3.11Å; E88-R91 PolarHBondContact O-N 3.44Å; R91-L93 VanDerWaalsContact C-N 3.32Å; R91-L93 PolarHBondContact O-N 2.84Å; R91-E94 PolarHBondContact O-N 3.44Å; R91-E95 PolarHBondContact O-N 2.85Å |
| 92 | A | 95.4 | Very high | 94.1 | Very high | 57 Ų | 57 | 98.7 Ų | 98.7 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -38 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E88 K89 V90 A96 | E88-A92 WeakPolarHBondContact O-CB 3.2Å; E88-A92 PolarHBondContact O-N 2.87Å; K89-A92 PolarHBondContact O-N 3.25Å; V90-A92 PolarHBondContact O-N 3.3Å; A92-A96 WeakPolarHBondContact O-CB 3.49Å; A92-A96 PolarHBondContact O-N 3.46Å |
| 93 | L | 94.6 | Very high | 94.3 | Very high | 124 Ų | 124 | 99.1 Ų | 99.1 | 65% | 0.649 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.6 | -41.2 | 175 | -73.7 | 172 | 0 | 0 | 0 | 112.1 | K89 V90 R91 E95 A96 N97 | K89-L93 WeakPolarHBondContact O-CB 3.32Å; K89-L93 VanDerWaalsContact O-CG 3.32Å; K89-L93 WeakPolarHBondContact O-CG 3.28Å; K89-L93 PolarHBondContact O-N 3.26Å; V90-L93 PolarHBondContact O-N 3.47Å; R91-L93 VanDerWaalsContact C-N 3.32Å; R91-L93 PolarHBondContact O-N 2.84Å; L93-E95 VanDerWaalsContact C-N 3.34Å; L93-E95 PolarHBondContact O-N 3.42Å; L93-A96 PolarHBondContact O-N 2.85Å; L93-N97 VanDerWaalsContact O-CB 3.31Å; L93-N97 WeakPolarHBondContact O-CB 3.39Å; L93-N97 PolarHBondContact O-N 3.33Å |
| 94 | E | 95 | Very high | 94.2 | Very high | 123 Ų | 123 | 98.7 Ų | 98.7 | 58% | 0.575 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.4 | -42.8 | 174.7 | -74.2 | 171.8 | 171.2 | 0 | 0 | 111.4 | V90 R91 N97 S98 | V90-E94 HydrophobicContact CG1-CG 4.34Å; V90-E94 WeakPolarHBondContact O-CG 3.48Å; V90-E94 PolarHBondContact O-N 2.86Å; R91-E94 PolarHBondContact O-N 3.44Å; E94-N97 PolarHBondContact O-N 3.5Å; E94-S98 PolarHBondContact O-N 3.38Å |
| 95 | E | 95.6 | Very high | 94.2 | Very high | 107 Ų | 107 | 101.3 Ų | 101.3 | 50% | 0.5 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.9 | -38.9 | 176 | -164.2 | -168.2 | 160.2 | 0 | 0 | 112.3 | R91 L93 N97 S98 K99 | R91-E95 PolarHBondContact O-N 2.85Å; L93-E95 VanDerWaalsContact C-N 3.34Å; L93-E95 PolarHBondContact O-N 3.42Å; E95-N97 VanDerWaalsContact C-N 3.31Å; E95-S98 PolarHBondContact O-OG 2.82Å; E95-K99 WeakPolarHBondContact O-CB 3.38Å; E95-K99 VanDerWaalsContact O-CG 3.27Å; E95-K99 WeakPolarHBondContact O-CG 3.43Å; E95-K99 PolarHBondContact O-N 3.32Å; E95-K99 VanDerWaalsContact O-N 3.13Å; E95-K99 VanDerWaalsContact OE1-CE 3.25Å; E95-K99 WeakPolarHBondContact OE1-CE 3.43Å; E95-K99 IonicContact OE1-NZ 3.69Å; E95-K99 PolarHBondContact OE1-NZ 3.29Å |
| 96 | A | 94.7 | Very high | 94 | Very high | 45 Ų | 45 | 104.3 Ų | 104.3 | 37% | 0.372 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.4 | -38.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A92 L93 K99 L100 | A92-A96 WeakPolarHBondContact O-CB 3.49Å; A92-A96 PolarHBondContact O-N 3.46Å; L93-A96 PolarHBondContact O-N 2.85Å; A96-K99 PolarHBondContact O-N 2.87Å; A96-L100 WeakPolarHBondContact O-CG 3.19Å; A96-L100 PolarHBondContact O-N 2.91Å |
| 97 | N | 94.4 | Very high | 93.6 | Very high | 90 Ų | 90 | 103.8 Ų | 103.8 | 48% | 0.481 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.2 | -43.4 | -179.5 | -148.7 | 26.6 | 0 | 0 | 0 | 111.4 | L93 E94 E95 K99 L100 E101 | L93-N97 VanDerWaalsContact O-CB 3.31Å; L93-N97 WeakPolarHBondContact O-CB 3.39Å; L93-N97 PolarHBondContact O-N 3.33Å; E94-N97 PolarHBondContact O-N 3.5Å; E95-N97 VanDerWaalsContact C-N 3.31Å; N97-K99 VanDerWaalsContact C-N 3.29Å; N97-K99 PolarHBondContact O-N 3.26Å; N97-L100 PolarHBondContact O-N 2.97Å; N97-E101 WeakPolarHBondContact O-CG 3.36Å; N97-E101 PolarHBondContact O-N 3.31Å |
| 98 | S | 95.7 | Very high | 93 | Very high | 54 Ų | 54 | 104.3 Ų | 104.3 | 38% | 0.378 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.9 | -36 | 175.2 | 73.5 | 0 | 0 | 0 | 0 | 112.3 | E94 E95 T102 | E94-S98 PolarHBondContact O-N 3.38Å; E95-S98 PolarHBondContact O-OG 2.82Å; S98-T102 WeakPolarHBondContact O-CG2 3.22Å; S98-T102 PolarHBondContact O-N 3.38Å; S98-T102 PolarHBondContact O-OG1 2.96Å |
| 99 | K | 95.7 | Very high | 92.5 | Very high | 96 Ų | 96 | 104.5 Ų | 104.5 | 42% | 0.417 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.1 | -33.6 | 171.8 | -74.5 | 171.8 | -174.4 | 168.1 | 0 | 113 | E95 A96 N97 T102 R103 | E95-K99 WeakPolarHBondContact O-CB 3.38Å; E95-K99 VanDerWaalsContact O-CG 3.27Å; E95-K99 WeakPolarHBondContact O-CG 3.43Å; E95-K99 PolarHBondContact O-N 3.32Å; E95-K99 VanDerWaalsContact O-N 3.13Å; E95-K99 VanDerWaalsContact OE1-CE 3.25Å; E95-K99 WeakPolarHBondContact OE1-CE 3.43Å; E95-K99 IonicContact OE1-NZ 3.69Å; E95-K99 PolarHBondContact OE1-NZ 3.29Å; A96-K99 PolarHBondContact O-N 2.87Å; N97-K99 VanDerWaalsContact C-N 3.29Å; N97-K99 PolarHBondContact O-N 3.26Å; K99-T102 WeakPolarHBondContact CA-OG1 3.3Å; K99-T102 PolarHBondContact O-OG1 3.44Å; K99-R103 WeakPolarHBondContact O-CG 3.21Å; K99-R103 PolarHBondContact O-N 3.26Å |
| 100 | L | 94.7 | Very high | 91.8 | Very high | 86 Ų | 86 | 105.1 Ų | 105.1 | 45% | 0.45 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -73.8 | -44.1 | 175.4 | -73 | 172.7 | 0 | 0 | 0 | 111.4 | A96 N97 T102 R103 I104 | A96-L100 WeakPolarHBondContact O-CG 3.19Å; A96-L100 PolarHBondContact O-N 2.91Å; N97-L100 PolarHBondContact O-N 2.97Å; L100-T102 VanDerWaalsContact C-N 3.33Å; L100-T102 PolarHBondContact O-N 3Å; L100-R103 PolarHBondContact O-N 3.05Å; L100-R103 VanDerWaalsContact O-N 3.1Å; L100-I104 WeakPolarHBondContact O-CG1 3.43Å; L100-I104 PolarHBondContact O-N 2.89Å |
| 101 | E | 93.6 | Very high | 90.7 | Very high | 110 Ų | 110 | 108.4 Ų | 108.4 | 51% | 0.514 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -56.6 | -46.8 | 176 | -74 | 175.7 | 179.3 | 0 | 0 | 111.6 | N97 R103 I104 L105 | N97-E101 WeakPolarHBondContact O-CG 3.36Å; N97-E101 PolarHBondContact O-N 3.31Å; E101-R103 VanDerWaalsContact C-N 3.32Å; E101-R103 PolarHBondContact O-N 3.29Å; E101-I104 PolarHBondContact O-N 3.5Å; E101-L105 WeakPolarHBondContact O-CG 3.41Å; E101-L105 PolarHBondContact O-N 2.88Å |
| 102 | T | 94.6 | Very high | 89.3 | Confident | 72 Ų | 72 | 106.7 Ų | 106.7 | 44% | 0.442 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.7 | -33 | 176.9 | 50.8 | 0 | 0 | 0 | 0 | 113.2 | S98 K99 L100 R106 | S98-T102 WeakPolarHBondContact O-CG2 3.22Å; S98-T102 PolarHBondContact O-N 3.38Å; S98-T102 PolarHBondContact O-OG1 2.96Å; K99-T102 WeakPolarHBondContact CA-OG1 3.3Å; K99-T102 PolarHBondContact O-OG1 3.44Å; L100-T102 VanDerWaalsContact C-N 3.33Å; L100-T102 PolarHBondContact O-N 3Å; T102-R106 WeakPolarHBondContact O-CB 3.39Å; T102-R106 PolarHBondContact O-N 3.49Å; T102-R106 VanDerWaalsContact O-N 3.16Å |
| 103 | R | 93.9 | Very high | 87.7 | Confident | 151 Ų | 151 | 109.1 Ų | 109.1 | 57% | 0.57 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.9 | -39.8 | 173 | -75.9 | -178.7 | -141.6 | 173.8 | 3.5 | 112.3 | K99 L100 E101 R106 W107 | K99-R103 WeakPolarHBondContact O-CG 3.21Å; K99-R103 PolarHBondContact O-N 3.26Å; L100-R103 PolarHBondContact O-N 3.05Å; L100-R103 VanDerWaalsContact O-N 3.1Å; E101-R103 VanDerWaalsContact C-N 3.32Å; E101-R103 PolarHBondContact O-N 3.29Å; R103-R106 PolarHBondContact O-N 3.4Å; R103-W107 VanDerWaalsContact O-CB 3.27Å; R103-W107 WeakPolarHBondContact O-CB 3.48Å; R103-W107 PolarHBondContact O-N 3.32Å |
| 104 | I | 90.3 | Very high | 86.2 | Confident | 94 Ų | 94 | 108.3 Ų | 108.3 | 48% | 0.482 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.1 | -47.5 | 176.9 | -70.4 | 166.2 | 0 | 0 | 0 | 109.9 | L100 E101 R106 W107 H108 | L100-I104 WeakPolarHBondContact O-CG1 3.43Å; L100-I104 PolarHBondContact O-N 2.89Å; E101-I104 PolarHBondContact O-N 3.5Å; I104-R106 PolarHBondContact O-N 2.86Å; I104-W107 PolarHBondContact O-N 2.81Å; I104-H108 PolarHBondContact O-CD2 3.03Å; I104-H108 PolarHBondContact O-N 3.32Å |
| 105 | L | 89.6 | Confident | 84.6 | Confident | 108 Ų | 108 | 110 Ų | 110 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.4 | -46.9 | 177.5 | -72.2 | 172.8 | 0 | 0 | 0 | 112.1 | E101 W107 H108 Q109 | E101-L105 WeakPolarHBondContact O-CG 3.41Å; E101-L105 PolarHBondContact O-N 2.88Å; L105-W107 VanDerWaalsContact C-N 3.33Å; L105-W107 PolarHBondContact O-N 3.33Å; L105-H108 PolarHBondContact O-N 3Å; L105-Q109 WeakPolarHBondContact O-CG 3.35Å; L105-Q109 PolarHBondContact O-N 2.76Å |
| 106 | R | 89.1 | Confident | 83.1 | Confident | 128 Ų | 128 | 115.4 Ų | 115.4 | 48% | 0.483 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.8 | -42.6 | 177 | -169.6 | -177.1 | -62.9 | 101.9 | 2.4 | 111.7 | T102 R103 I104 H108 Q109 E110 | T102-R106 WeakPolarHBondContact O-CB 3.39Å; T102-R106 PolarHBondContact O-N 3.49Å; T102-R106 VanDerWaalsContact O-N 3.16Å; R103-R106 PolarHBondContact O-N 3.4Å; I104-R106 PolarHBondContact O-N 2.86Å; R106-H108 VanDerWaalsContact C-N 3.32Å; R106-H108 PolarHBondContact O-N 3.31Å; R106-Q109 PolarHBondContact O-N 3.28Å; R106-E110 WeakPolarHBondContact CD-OE1 3.23Å; R106-E110 HydrophobicContact CG-CG 4.41Å; R106-E110 VanDerWaalsContact CG-OE1 3.31Å; R106-E110 WeakPolarHBondContact CG-OE1 3.33Å; R106-E110 WeakPolarHBondContact O-CB 3.3Å; R106-E110 WeakPolarHBondContact O-CG 3.28Å; R106-E110 PolarHBondContact O-N 2.82Å |
| 107 | W | 86.3 | Confident | 82.1 | Confident | 124 Ų | 124 | 120.4 Ų | 120.4 | 47% | 0.47 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.6 | -37.6 | 176.8 | -178.6 | 90 | 0 | 0 | 0 | 112.3 | R103 I104 L105 R111 | R103-W107 VanDerWaalsContact O-CB 3.27Å; R103-W107 WeakPolarHBondContact O-CB 3.48Å; R103-W107 PolarHBondContact O-N 3.32Å; I104-W107 PolarHBondContact O-N 2.81Å; L105-W107 VanDerWaalsContact C-N 3.33Å; L105-W107 PolarHBondContact O-N 3.33Å; W107-R111 VanDerWaalsContact CE2-CD 3.45Å; W107-R111 WeakPolarHBondContact O-CB 3.33Å; W107-R111 PolarHBondContact O-N 3.01Å; W107-R111 VanDerWaalsContact O-N 3.11Å |
| 108 | H | 82.3 | Confident | 81.2 | Confident | 103 Ų | 103 | 123 Ų | 123 | 48% | 0.477 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.3 | -39.2 | 173.9 | -81.2 | -72.8 | 0 | 0 | 0 | 112.5 | I104 L105 R106 R111 E112 | I104-H108 PolarHBondContact O-CD2 3.03Å; I104-H108 PolarHBondContact O-N 3.32Å; L105-H108 PolarHBondContact O-N 3Å; R106-H108 VanDerWaalsContact C-N 3.32Å; R106-H108 PolarHBondContact O-N 3.31Å; H108-R111 PolarHBondContact O-N 2.92Å; H108-E112 PolarHBondContact O-N 3.41Å |
| 109 | Q | 82.2 | Confident | 80.6 | Confident | 145 Ų | 145 | 126.8 Ų | 126.8 | 68% | 0.678 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.2 | -40.1 | 177.5 | -70.8 | 171 | 0.4 | 0 | 0 | 112.7 | L105 R106 R111 | L105-Q109 WeakPolarHBondContact O-CG 3.35Å; L105-Q109 PolarHBondContact O-N 2.76Å; R106-Q109 PolarHBondContact O-N 3.28Å; Q109-R111 PolarHBondContact O-N 2.92Å |
| 110 | E | 79.9 | Confident | 80.2 | Confident | 146 Ų | 146 | 125.1 Ų | 125.1 | 68% | 0.682 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -71.3 | -21.5 | 176.1 | -71.5 | 171.5 | -173.3 | 0 | 0 | 112.6 | R106 | R106-E110 WeakPolarHBondContact CD-OE1 3.23Å; R106-E110 HydrophobicContact CG-CG 4.41Å; R106-E110 VanDerWaalsContact CG-OE1 3.31Å; R106-E110 WeakPolarHBondContact CG-OE1 3.33Å; R106-E110 WeakPolarHBondContact O-CB 3.3Å; R106-E110 WeakPolarHBondContact O-CG 3.28Å; R106-E110 PolarHBondContact O-N 2.82Å |
| 111 | R | 72.2 | Confident | 79.8 | Confident | 133 Ų | 133 | 127.9 Ų | 127.9 | 50% | 0.502 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -105.8 | -9.5 | -174.6 | -153.8 | 173.5 | -167.9 | -132.3 | 1.4 | 113.6 | W107 H108 Q109 P113 | W107-R111 VanDerWaalsContact CE2-CD 3.45Å; W107-R111 WeakPolarHBondContact O-CB 3.33Å; W107-R111 PolarHBondContact O-N 3.01Å; W107-R111 VanDerWaalsContact O-N 3.11Å; H108-R111 PolarHBondContact O-N 2.92Å; Q109-R111 PolarHBondContact O-N 2.92Å; R111-P113 WeakPolarHBondContact O-CD 3.45Å; R111-P113 VanDerWaalsContact O-N 3.15Å |
| 112 | E | 65.6 | Low | 79.6 | Confident | 145 Ų | 145 | 130.1 Ų | 130.1 | 68% | 0.678 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -59.3 | 114.5 | 159.3 | -85.8 | -152.4 | 146.3 | 0 | 0 | 107.1 | H108 S114 | H108-E112 PolarHBondContact O-N 3.41Å; E112-S114 PolarHBondContact O-N 3.47Å |
| 113 | P | 63 | Low | 79.4 | Confident | 108 Ų | 108 | 132.6 Ų | 132.6 | 70% | 0.701 | 61% | 0.612 | S | S | * | * | trans | -63.1 | 115 | -179.2 | -16.9 | 30.3 | 0 | 0 | 0 | 108 | R111 H115 | R111-P113 WeakPolarHBondContact O-CD 3.45Å; R111-P113 VanDerWaalsContact O-N 3.15Å; P113-H115 PolarHBondContact O-N 2.85Å | ||
| 114 | S | 61.6 | Low | 79.4 | Confident | 106 Ų | 106 | 131.5 Ų | 131.5 | 74% | 0.741 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -57.9 | -3.8 | 178.2 | -46 | 0 | 0 | 0 | 0 | 114.3 | E112 | E112-S114 PolarHBondContact O-N 3.47Š|
| 115 | H | 62.3 | Low | 79.6 | Confident | 159 Ų | 159 | 130.5 Ų | 130.5 | 74% | 0.736 | 61% | 0.608 | S | S | * | * | trans | -136.4 | 86.8 | 178.9 | -42.8 | -63.2 | 0 | 0 | 0 | 108.4 | P113 K117 | P113-H115 PolarHBondContact O-N 2.85Å; H115-K117 PolarHBondContact O-N 2.85Å; H115-K117 VanDerWaalsContact O-N 3.11Å | ||
| 116 | R | 64.3 | Low | 79.9 | Confident | 220 Ų | 220 | 129.6 Ų | 129.6 | 83% | 0.83 | 60% | 0.603 | S | S | * | * | trans | -61.6 | 110.4 | 156.5 | -167.5 | -177.7 | -65.6 | -120 | 1.5 | 104.8 | D118 | R116-D118 PolarHBondContact O-N 2.87Š| ||
| 117 | K | 72.5 | Confident | 80.2 | Confident | 151 Ų | 151 | 126.7 Ų | 126.7 | 66% | 0.657 | 60% | 0.602 | S | S | * | * | trans | -59 | 122.9 | 179.2 | -70.6 | 175.4 | -179.3 | 177 | 0 | 107.6 | H115 Y119 | H115-K117 PolarHBondContact O-N 2.85Å; H115-K117 VanDerWaalsContact O-N 3.11Å; K117-Y119 HydrophobicContact CB-CD2 4.33Å; K117-Y119 HydrophobicContact CB-CE2 3.74Å; K117-Y119 WeakPolarHBondContact O-CD2 3.41Å; K117-Y119 WeakPolarHBondContact O-CE2 3.31Å; K117-Y119 PolarHBondContact O-N 3.47Å | ||
| 118 | D | 76.8 | Confident | 80.8 | Confident | 143 Ų | 143 | 127.4 Ų | 127.4 | 77% | 0.765 | 61% | 0.605 | S | S | * | * | trans | -72.8 | 100.6 | -179.8 | -65.5 | -35.7 | 0 | 0 | 0 | 109.2 | R116 S120 | R116-D118 PolarHBondContact O-N 2.87Å; D118-S120 VanDerWaalsContact C-N 3.25Å; D118-S120 PolarHBondContact O-N 3.04Å | ||
| 119 | Y | 81.8 | Confident | 81.5 | Confident | 134 Ų | 134 | 126.9 Ų | 126.9 | 53% | 0.525 | 61% | 0.605 | S | S | . | * | trans | -83.8 | 1.5 | 178.2 | -69.4 | -78.1 | 0 | 0 | 0 | 113.4 | K117 Q121 Y122 E123 | K117-Y119 HydrophobicContact CB-CD2 4.33Å; K117-Y119 HydrophobicContact CB-CE2 3.74Å; K117-Y119 WeakPolarHBondContact O-CD2 3.41Å; K117-Y119 WeakPolarHBondContact O-CE2 3.31Å; K117-Y119 PolarHBondContact O-N 3.47Å; Y119-Q121 VanDerWaalsContact C-N 3.28Å; Y119-Q121 PolarHBondContact O-N 3.36Å; Y119-Q121 VanDerWaalsContact O-N 3.16Å; Y119-Y122 HydrophobicContact CD1-CD2 4.05Å; Y119-Y122 WeakPolarHBondContact O-CA 3.43Å; Y119-Y122 WeakPolarHBondContact O-CB 3.48Å; Y119-Y122 PolarHBondContact O-N 3.45Å; Y119-E123 PolarHBondContact O-N 3.35Å | ||
| 120 | S | 88.2 | Confident | 82.2 | Confident | 62 Ų | 62 | 125.4 Ų | 125.4 | 43% | 0.434 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -53.5 | -38.5 | -174.9 | 167.9 | 0 | 0 | 0 | 0 | 113.6 | D118 Y122 E123 E124 | D118-S120 VanDerWaalsContact C-N 3.25Å; D118-S120 PolarHBondContact O-N 3.04Å; S120-Y122 VanDerWaalsContact C-N 3.33Å; S120-Y122 PolarHBondContact O-N 2.97Å; S120-E123 PolarHBondContact O-N 2.96Å; S120-E124 WeakPolarHBondContact O-CG 3.42Å; S120-E124 PolarHBondContact O-N 3.45Å |
| 121 | Q | 86.8 | Confident | 83.1 | Confident | 143 Ų | 143 | 124.3 Ų | 124.3 | 67% | 0.668 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.8 | -32.8 | 176.4 | -66.4 | -177.9 | -2.9 | 0 | 0 | 113.2 | Y119 N125 | Y119-Q121 VanDerWaalsContact C-N 3.28Å; Y119-Q121 PolarHBondContact O-N 3.36Å; Y119-Q121 VanDerWaalsContact O-N 3.16Å; Q121-N125 WeakPolarHBondContact O-CB 3.39Å; Q121-N125 PolarHBondContact O-N 3.45Å; Q121-N125 PolarHBondContact O-ND2 2.96Å |
| 122 | Y | 88.2 | Confident | 84.3 | Confident | 158 Ų | 158 | 123.4 Ų | 123.4 | 62% | 0.62 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -73.4 | -37.5 | 174.5 | -66.5 | -74.6 | 0 | 0 | 0 | 110.6 | Y119 S120 N125 I126 | Y119-Y122 HydrophobicContact CD1-CD2 4.05Å; Y119-Y122 WeakPolarHBondContact O-CA 3.43Å; Y119-Y122 WeakPolarHBondContact O-CB 3.48Å; Y119-Y122 PolarHBondContact O-N 3.45Å; S120-Y122 VanDerWaalsContact C-N 3.33Å; S120-Y122 PolarHBondContact O-N 2.97Å; Y122-N125 PolarHBondContact O-N 3.38Å; Y122-I126 WeakPolarHBondContact O-CB 3.39Å; Y122-I126 WeakPolarHBondContact O-CD1 3.41Å; Y122-I126 WeakPolarHBondContact O-CG1 3.33Å; Y122-I126 PolarHBondContact O-N 3.21Å |
| 123 | E | 90.8 | Very high | 85.8 | Confident | 124 Ų | 124 | 121.1 Ų | 121.1 | 58% | 0.579 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.6 | -46.2 | 175 | -67.6 | 175.6 | 173.7 | 0 | 0 | 111.4 | Y119 S120 N125 I126 S127 | Y119-E123 PolarHBondContact O-N 3.35Å; S120-E123 PolarHBondContact O-N 2.96Å; E123-N125 VanDerWaalsContact C-N 3.34Å; E123-N125 PolarHBondContact O-N 3.13Å; E123-I126 PolarHBondContact O-N 2.94Å; E123-S127 WeakPolarHBondContact O-CB 3.31Å; E123-S127 PolarHBondContact O-N 2.93Å; E123-S127 PolarHBondContact O-OG 3.4Å |
| 124 | E | 93.8 | Very high | 87.5 | Confident | 128 Ų | 128 | 119.9 Ų | 119.9 | 60% | 0.598 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -58.8 | -43.9 | 174.7 | -74 | 176.3 | -174.4 | 0 | 0 | 112.2 | S120 S127 R128 | S120-E124 WeakPolarHBondContact O-CG 3.42Å; S120-E124 PolarHBondContact O-N 3.45Å; E124-S127 PolarHBondContact O-N 3.46Å; E124-R128 WeakPolarHBondContact O-CB 3.32Å; E124-R128 PolarHBondContact O-N 2.99Å |
| 125 | N | 95.3 | Very high | 89.3 | Confident | 72 Ų | 72 | 119.4 Ų | 119.4 | 39% | 0.385 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.9 | -40.5 | 176.7 | -78.6 | -42.4 | 0 | 0 | 0 | 112.3 | Q121 Y122 E123 R128 L129 | Q121-N125 WeakPolarHBondContact O-CB 3.39Å; Q121-N125 PolarHBondContact O-N 3.45Å; Q121-N125 PolarHBondContact O-ND2 2.96Å; Y122-N125 PolarHBondContact O-N 3.38Å; E123-N125 VanDerWaalsContact C-N 3.34Å; E123-N125 PolarHBondContact O-N 3.13Å; N125-R128 PolarHBondContact O-N 3.34Å; N125-R128 PolarHBondContact OD1-NH2 3.34Å; N125-L129 WeakPolarHBondContact O-CB 3.29Å; N125-L129 VanDerWaalsContact O-CG 3.3Å; N125-L129 WeakPolarHBondContact O-CG 3.31Å; N125-L129 PolarHBondContact O-N 2.83Å |
| 126 | I | 95.1 | Very high | 91 | Very high | 89 Ų | 89 | 113.4 Ų | 113.4 | 46% | 0.456 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 176.1 | -71.2 | 163.6 | 0 | 0 | 0 | 110 | Y122 E123 R128 L129 Q130 | Y122-I126 WeakPolarHBondContact O-CB 3.39Å; Y122-I126 WeakPolarHBondContact O-CD1 3.41Å; Y122-I126 WeakPolarHBondContact O-CG1 3.33Å; Y122-I126 PolarHBondContact O-N 3.21Å; E123-I126 PolarHBondContact O-N 2.94Å; I126-R128 PolarHBondContact O-N 2.8Å; I126-L129 PolarHBondContact O-N 2.87Å; I126-Q130 HydrophobicContact CG2-CG 4.39Å; I126-Q130 WeakPolarHBondContact O-CB 3.45Å; I126-Q130 VanDerWaalsContact O-CG 3.27Å; I126-Q130 WeakPolarHBondContact O-CG 3.19Å; I126-Q130 PolarHBondContact O-N 2.84Å |
| 127 | S | 96.6 | Very high | 92.5 | Very high | 67 Ų | 67 | 109.6 Ų | 109.6 | 47% | 0.469 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 176.8 | -66.2 | 0 | 0 | 0 | 0 | 111.8 | E123 E124 L129 Q130 E131 | E123-S127 WeakPolarHBondContact O-CB 3.31Å; E123-S127 PolarHBondContact O-N 2.93Å; E123-S127 PolarHBondContact O-OG 3.4Å; E124-S127 PolarHBondContact O-N 3.46Å; S127-L129 PolarHBondContact O-N 2.91Å; S127-Q130 WeakPolarHBondContact O-CB 3.4Å; S127-Q130 PolarHBondContact O-N 2.77Å; S127-E131 PolarHBondContact O-N 2.85Å |
| 128 | R | 97.1 | Very high | 93.8 | Very high | 139 Ų | 139 | 108.4 Ų | 108.4 | 53% | 0.525 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 175.5 | -173.5 | -178.1 | 68.2 | 179.1 | -3.2 | 112.3 | E124 N125 I126 Q130 E131 Q132 | E124-R128 WeakPolarHBondContact O-CB 3.32Å; E124-R128 PolarHBondContact O-N 2.99Å; N125-R128 PolarHBondContact O-N 3.34Å; N125-R128 PolarHBondContact OD1-NH2 3.34Å; I126-R128 PolarHBondContact O-N 2.8Å; R128-Q130 VanDerWaalsContact C-N 3.33Å; R128-E131 PolarHBondContact O-N 3.4Å; R128-Q132 WeakPolarHBondContact O-CG 3.27Å; R128-Q132 PolarHBondContact O-N 2.83Å |
| 129 | L | 97.6 | Very high | 94.8 | Very high | 93 Ų | 93 | 104 Ų | 104 | 49% | 0.487 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.2 | -37.6 | 176.7 | -73.6 | 171.2 | 0 | 0 | 0 | 111.6 | N125 I126 S127 Q132 I133 | N125-L129 WeakPolarHBondContact O-CB 3.29Å; N125-L129 VanDerWaalsContact O-CG 3.3Å; N125-L129 WeakPolarHBondContact O-CG 3.31Å; N125-L129 PolarHBondContact O-N 2.83Å; I126-L129 PolarHBondContact O-N 2.87Å; S127-L129 PolarHBondContact O-N 2.91Å; L129-Q132 PolarHBondContact O-N 2.85Å; L129-I133 WeakPolarHBondContact O-CD1 3.36Å; L129-I133 VanDerWaalsContact O-CG1 3.25Å; L129-I133 WeakPolarHBondContact O-CG1 3.46Å; L129-I133 PolarHBondContact O-N 3.35Å |
| 130 | Q | 97.6 | Very high | 95.5 | Very high | 113 Ų | 113 | 102.6 Ų | 102.6 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 174.4 | -74.1 | 172.1 | -9.2 | 0 | 0 | 111.6 | I126 S127 R128 I133 V134 | I126-Q130 HydrophobicContact CG2-CG 4.39Å; I126-Q130 WeakPolarHBondContact O-CB 3.45Å; I126-Q130 VanDerWaalsContact O-CG 3.27Å; I126-Q130 WeakPolarHBondContact O-CG 3.19Å; I126-Q130 PolarHBondContact O-N 2.84Å; S127-Q130 WeakPolarHBondContact O-CB 3.4Å; S127-Q130 PolarHBondContact O-N 2.77Å; R128-Q130 VanDerWaalsContact C-N 3.33Å; Q130-I133 PolarHBondContact O-N 2.83Å; Q130-V134 WeakPolarHBondContact O-CG2 3.22Å; Q130-V134 PolarHBondContact O-N 2.83Å |
| 131 | E | 97.8 | Very high | 96 | Very high | 124 Ų | 124 | 102 Ų | 102 | 58% | 0.579 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.2 | -48 | 175.2 | -172.2 | 173.8 | -157.3 | 0 | 0 | 111.3 | S127 R128 I133 V134 D135 | S127-E131 PolarHBondContact O-N 2.85Å; R128-E131 PolarHBondContact O-N 3.4Å; E131-I133 VanDerWaalsContact C-N 3.28Å; E131-I133 PolarHBondContact O-N 3.49Å; E131-V134 PolarHBondContact O-N 2.77Å; E131-D135 PolarHBondContact O-N 2.96Å |
| 132 | Q | 98.1 | Very high | 96.5 | Very high | 113 Ų | 113 | 100.8 Ų | 100.8 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.1 | -37.1 | 175.6 | -72.5 | 179.4 | -16.3 | 0 | 0 | 113.2 | R128 L129 G136 | R128-Q132 WeakPolarHBondContact O-CG 3.27Å; R128-Q132 PolarHBondContact O-N 2.83Å; L129-Q132 PolarHBondContact O-N 2.85Å; Q132-G136 PolarHBondContact O-N 3.48Å |
| 133 | I | 97.8 | Very high | 97 | Very high | 97 Ų | 97 | 97.4 Ų | 97.4 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 175.3 | -70.9 | 164.7 | 0 | 0 | 0 | 110.6 | L129 Q130 E131 G136 K137 | L129-I133 WeakPolarHBondContact O-CD1 3.36Å; L129-I133 VanDerWaalsContact O-CG1 3.25Å; L129-I133 WeakPolarHBondContact O-CG1 3.46Å; L129-I133 PolarHBondContact O-N 3.35Å; Q130-I133 PolarHBondContact O-N 2.83Å; E131-I133 VanDerWaalsContact C-N 3.28Å; E131-I133 PolarHBondContact O-N 3.49Å; I133-G136 PolarHBondContact O-N 3.23Å; I133-K137 HydrophobicContact CG2-CD 4.21Å; I133-K137 WeakPolarHBondContact O-CB 3.35Å; I133-K137 VanDerWaalsContact O-CG 3.28Å; I133-K137 WeakPolarHBondContact O-CG 3.32Å; I133-K137 PolarHBondContact O-N 2.83Å |
| 134 | V | 98.1 | Very high | 97.3 | Very high | 83 Ų | 83 | 95.2 Ų | 95.2 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.1 | -46.5 | 177.5 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | Q130 E131 G136 K137 M138 | Q130-V134 WeakPolarHBondContact O-CG2 3.22Å; Q130-V134 PolarHBondContact O-N 2.83Å; E131-V134 PolarHBondContact O-N 2.77Å; V134-G136 VanDerWaalsContact C-N 3.33Å; V134-G136 PolarHBondContact O-N 3.14Å; V134-K137 WeakPolarHBondContact O-CB 3.41Å; V134-K137 PolarHBondContact O-N 2.71Å; V134-K137 VanDerWaalsContact O-N 3.13Å; V134-M138 HydrophobicContact CG1-CG 4.44Å; V134-M138 WeakPolarHBondContact O-CG 3.29Å; V134-M138 PolarHBondContact O-N 3.21Å |
| 135 | D | 98.2 | Very high | 97.5 | Very high | 96 Ų | 96 | 93.5 Ų | 93.5 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.7 | -44 | 176.2 | -71.6 | -15.8 | 0 | 0 | 0 | 111.6 | E131 K137 M138 A139 | E131-D135 PolarHBondContact O-N 2.96Å; D135-K137 VanDerWaalsContact C-N 3.34Å; D135-K137 PolarHBondContact O-N 3.1Å; D135-M138 PolarHBondContact O-N 3.48Å; D135-A139 WeakPolarHBondContact O-CB 3.49Å; D135-A139 PolarHBondContact O-N 2.99Å |
| 136 | G | 98.2 | Very high | 97.6 | Very high | 32 Ų | 32 | 94.6 Ų | 94.6 | 33% | 0.33 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.4 | -40.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q132 I133 V134 A139 N140 | Q132-G136 PolarHBondContact O-N 3.48Å; I133-G136 PolarHBondContact O-N 3.23Å; V134-G136 VanDerWaalsContact C-N 3.33Å; V134-G136 PolarHBondContact O-N 3.14Å; G136-A139 PolarHBondContact O-N 2.9Å; G136-N140 WeakPolarHBondContact O-CB 3.5Å; G136-N140 VanDerWaalsContact O-CG 3.27Å; G136-N140 PolarHBondContact O-N 3.34Å; G136-N140 PolarHBondContact O-ND2 3.36Å |
| 137 | K | 97.6 | Very high | 97.7 | Very high | 140 Ų | 140 | 95.1 Ų | 95.1 | 61% | 0.609 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65 | -42 | 174.5 | -77.1 | 175.8 | 178.7 | -177.3 | 0 | 111.9 | I133 V134 D135 N140 A141 | I133-K137 HydrophobicContact CG2-CD 4.21Å; I133-K137 WeakPolarHBondContact O-CB 3.35Å; I133-K137 VanDerWaalsContact O-CG 3.28Å; I133-K137 WeakPolarHBondContact O-CG 3.32Å; I133-K137 PolarHBondContact O-N 2.83Å; V134-K137 WeakPolarHBondContact O-CB 3.41Å; V134-K137 PolarHBondContact O-N 2.71Å; V134-K137 VanDerWaalsContact O-N 3.13Å; D135-K137 VanDerWaalsContact C-N 3.34Å; D135-K137 PolarHBondContact O-N 3.1Å; K137-N140 PolarHBondContact O-N 2.84Å; K137-A141 WeakPolarHBondContact O-CB 3.09Å; K137-A141 PolarHBondContact O-N 3.02Å |
| 138 | M | 97.9 | Very high | 97.8 | Very high | 126 Ų | 126 | 95.9 Ų | 95.9 | 62% | 0.621 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65 | -43.7 | 177.2 | -70.9 | -59.4 | -65.4 | 0 | 0 | 111.5 | V134 D135 A141 H142 | V134-M138 HydrophobicContact CG1-CG 4.44Å; V134-M138 WeakPolarHBondContact O-CG 3.29Å; V134-M138 PolarHBondContact O-N 3.21Å; D135-M138 PolarHBondContact O-N 3.48Å; M138-A141 PolarHBondContact O-N 3.5Å; M138-H142 WeakPolarHBondContact O-CB 3.2Å; M138-H142 PolarHBondContact O-N 3.31Å |
| 139 | A | 98.3 | Very high | 97.8 | Very high | 51 Ų | 51 | 94.1 Ų | 94.1 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D135 G136 H142 I143 | D135-A139 WeakPolarHBondContact O-CB 3.49Å; D135-A139 PolarHBondContact O-N 2.99Å; G136-A139 PolarHBondContact O-N 2.9Å; A139-H142 WeakPolarHBondContact O-CB 3.27Å; A139-H142 PolarHBondContact O-N 2.97Å; A139-I143 VanDerWaalsContact O-CG1 3.31Å; A139-I143 WeakPolarHBondContact O-CG1 3.35Å; A139-I143 PolarHBondContact O-N 3.39Å |
| 140 | N | 97.7 | Very high | 97.7 | Very high | 104 Ų | 104 | 92.4 Ų | 92.4 | 56% | 0.556 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.3 | -44.9 | 175 | -77.7 | -17.2 | 0 | 0 | 0 | 111.9 | G136 K137 H142 I143 V144 | G136-N140 WeakPolarHBondContact O-CB 3.5Å; G136-N140 VanDerWaalsContact O-CG 3.27Å; G136-N140 PolarHBondContact O-N 3.34Å; G136-N140 PolarHBondContact O-ND2 3.36Å; K137-N140 PolarHBondContact O-N 2.84Å; N140-H142 VanDerWaalsContact C-N 3.31Å; N140-H142 PolarHBondContact O-N 3.37Å; N140-I143 PolarHBondContact O-N 3.47Å; N140-V144 WeakPolarHBondContact O-CG2 3.31Å; N140-V144 PolarHBondContact O-N 3.19Å |
| 141 | A | 97.3 | Very high | 97.6 | Very high | 51 Ų | 51 | 95 Ų | 95 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.4 | -42 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | K137 M138 V144 V145 | K137-A141 WeakPolarHBondContact O-CB 3.09Å; K137-A141 PolarHBondContact O-N 3.02Å; M138-A141 PolarHBondContact O-N 3.5Å; A141-V144 PolarHBondContact O-N 3.26Å; A141-V145 WeakPolarHBondContact O-CG2 3.42Å; A141-V145 PolarHBondContact O-N 3.39Å |
| 142 | H | 98.3 | Very high | 97.4 | Very high | 117 Ų | 117 | 95.1 Ų | 95.1 | 54% | 0.542 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 175.6 | -177.9 | -103.4 | 0 | 0 | 0 | 112.4 | M138 A139 N140 V144 V145 L146 | M138-H142 WeakPolarHBondContact O-CB 3.2Å; M138-H142 PolarHBondContact O-N 3.31Å; A139-H142 WeakPolarHBondContact O-CB 3.27Å; A139-H142 PolarHBondContact O-N 2.97Å; N140-H142 VanDerWaalsContact C-N 3.31Å; N140-H142 PolarHBondContact O-N 3.37Å; H142-V144 VanDerWaalsContact C-N 3.35Å; H142-V144 PolarHBondContact O-N 2.96Å; H142-V145 PolarHBondContact O-N 3.41Å; H142-L146 WeakPolarHBondContact O-CG 3.31Å; H142-L146 PolarHBondContact O-N 3.43Å |
| 143 | I | 97.8 | Very high | 97.2 | Very high | 87 Ų | 87 | 91.3 Ų | 91.3 | 45% | 0.446 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62 | -42.8 | 175.8 | -69 | 166 | 0 | 0 | 0 | 111 | A139 N140 V145 L146 I147 | A139-I143 VanDerWaalsContact O-CG1 3.31Å; A139-I143 WeakPolarHBondContact O-CG1 3.35Å; A139-I143 PolarHBondContact O-N 3.39Å; N140-I143 PolarHBondContact O-N 3.47Å; I143-V145 VanDerWaalsContact C-N 3.34Å; I143-V145 PolarHBondContact O-N 2.94Å; I143-L146 PolarHBondContact O-N 3.3Å; I143-I147 HydrophobicContact CG2-CD1 3.79Å; I143-I147 HydrophobicContact CG2-CG1 4.34Å; I143-I147 VanDerWaalsContact O-CG1 3.31Å; I143-I147 WeakPolarHBondContact O-CG1 3.31Å; I143-I147 PolarHBondContact O-N 2.74Å |
| 144 | V | 97.3 | Very high | 97.1 | Very high | 78 Ų | 78 | 90.4 Ų | 90.4 | 47% | 0.473 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.4 | -45.5 | 177 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | N140 A141 H142 L146 I147 D148 | N140-V144 WeakPolarHBondContact O-CG2 3.31Å; N140-V144 PolarHBondContact O-N 3.19Å; A141-V144 PolarHBondContact O-N 3.26Å; H142-V144 VanDerWaalsContact C-N 3.35Å; H142-V144 PolarHBondContact O-N 2.96Å; V144-L146 VanDerWaalsContact C-N 3.32Å; V144-L146 PolarHBondContact O-N 2.74Å; V144-I147 WeakPolarHBondContact O-CB 2.99Å; V144-I147 PolarHBondContact O-N 3.29Å; V144-D148 PolarHBondContact O-N 3.19Å |
| 145 | V | 97.8 | Very high | 96.9 | Very high | 92 Ų | 92 | 90.5 Ų | 90.5 | 56% | 0.558 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.9 | -39.8 | 176.5 | 172.7 | 0 | 0 | 0 | 0 | 111.9 | A141 H142 I143 D148 N149 | A141-V145 WeakPolarHBondContact O-CG2 3.42Å; A141-V145 PolarHBondContact O-N 3.39Å; H142-V145 PolarHBondContact O-N 3.41Å; I143-V145 VanDerWaalsContact C-N 3.34Å; I143-V145 PolarHBondContact O-N 2.94Å; V145-D148 PolarHBondContact O-N 2.75Å; V145-N149 WeakPolarHBondContact O-CB 3.31Å; V145-N149 PolarHBondContact O-N 2.93Å |
| 146 | L | 98.1 | Very high | 96.8 | Very high | 94 Ų | 94 | 90.3 Ų | 90.3 | 49% | 0.492 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.4 | -39.1 | 175.5 | -72.5 | 176 | 0 | 0 | 0 | 112.4 | H142 I143 V144 N149 A150 | H142-L146 WeakPolarHBondContact O-CG 3.31Å; H142-L146 PolarHBondContact O-N 3.43Å; I143-L146 PolarHBondContact O-N 3.3Å; V144-L146 VanDerWaalsContact C-N 3.32Å; V144-L146 PolarHBondContact O-N 2.74Å; L146-N149 PolarHBondContact O-N 3.3Å; L146-A150 WeakPolarHBondContact O-CB 3.16Å; L146-A150 PolarHBondContact O-N 3.43Å |
| 147 | I | 97.6 | Very high | 96.7 | Very high | 101 Ų | 101 | 95.3 Ų | 95.3 | 52% | 0.518 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.9 | -46.8 | 174.8 | -70.2 | 166.9 | 0 | 0 | 0 | 110 | I143 V144 N149 A150 R151 | I143-I147 HydrophobicContact CG2-CD1 3.79Å; I143-I147 HydrophobicContact CG2-CG1 4.34Å; I143-I147 VanDerWaalsContact O-CG1 3.31Å; I143-I147 WeakPolarHBondContact O-CG1 3.31Å; I143-I147 PolarHBondContact O-N 2.74Å; V144-I147 WeakPolarHBondContact O-CB 2.99Å; V144-I147 PolarHBondContact O-N 3.29Å; I147-N149 VanDerWaalsContact C-N 3.34Å; I147-N149 PolarHBondContact O-N 2.93Å; I147-A150 PolarHBondContact O-N 3.36Å; I147-R151 WeakPolarHBondContact O-CB 3.45Å; I147-R151 PolarHBondContact O-N 3.16Å |
| 148 | D | 97.9 | Very high | 96.6 | Very high | 82 Ų | 82 | 92.7 Ų | 92.7 | 44% | 0.439 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 179.1 | -73 | -20.2 | 0 | 0 | 0 | 111.3 | V144 V145 R151 M152 | V144-D148 PolarHBondContact O-N 3.19Å; V145-D148 PolarHBondContact O-N 2.75Å; D148-R151 PolarHBondContact O-N 2.95Å; D148-M152 WeakPolarHBondContact O-CG 3.28Å; D148-M152 PolarHBondContact O-N 2.99Å |
| 149 | N | 96.6 | Very high | 96.2 | Very high | 102 Ų | 102 | 91.8 Ų | 91.8 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.8 | -47.9 | 174.6 | -173.2 | -27.8 | 0 | 0 | 0 | 111.7 | V145 L146 I147 R151 M152 A153 | V145-N149 WeakPolarHBondContact O-CB 3.31Å; V145-N149 PolarHBondContact O-N 2.93Å; L146-N149 PolarHBondContact O-N 3.3Å; I147-N149 VanDerWaalsContact C-N 3.34Å; I147-N149 PolarHBondContact O-N 2.93Å; N149-R151 VanDerWaalsContact C-N 3.27Å; N149-R151 PolarHBondContact O-N 3.3Å; N149-M152 PolarHBondContact O-N 2.87Å; N149-A153 WeakPolarHBondContact O-CB 3.36Å; N149-A153 PolarHBondContact O-N 3.41Å |
| 150 | A | 96.3 | Very high | 96.2 | Very high | 57 Ų | 57 | 94.9 Ų | 94.9 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.8 | -38.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L146 I147 A153 V154 | L146-A150 WeakPolarHBondContact O-CB 3.16Å; L146-A150 PolarHBondContact O-N 3.43Å; I147-A150 PolarHBondContact O-N 3.36Å; A150-A153 PolarHBondContact O-N 3.45Å; A150-V154 WeakPolarHBondContact O-CG2 3.39Å; A150-V154 PolarHBondContact O-N 3.48Å |
| 151 | R | 94.8 | Very high | 96.1 | Very high | 168 Ų | 168 | 95.6 Ų | 95.6 | 63% | 0.634 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.1 | -46.2 | 176.2 | -174.7 | 178.6 | 175.4 | -176.7 | 0 | 111.9 | I147 D148 N149 A153 V154 D155 | I147-R151 WeakPolarHBondContact O-CB 3.45Å; I147-R151 PolarHBondContact O-N 3.16Å; D148-R151 PolarHBondContact O-N 2.95Å; N149-R151 VanDerWaalsContact C-N 3.27Å; N149-R151 PolarHBondContact O-N 3.3Å; R151-A153 VanDerWaalsContact C-N 3.29Å; R151-A153 PolarHBondContact O-N 3.13Å; R151-V154 PolarHBondContact O-N 3.04Å; R151-D155 PolarHBondContact O-N 3.33Å |
| 152 | M | 93.6 | Very high | 96 | Very high | 127 Ų | 127 | 98.5 Ų | 98.5 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59 | -41.6 | 174.5 | -72.3 | -179.4 | 66.7 | 0 | 0 | 111.6 | D148 N149 V154 D155 D156 | D148-M152 WeakPolarHBondContact O-CG 3.28Å; D148-M152 PolarHBondContact O-N 2.99Å; N149-M152 PolarHBondContact O-N 2.87Å; M152-V154 PolarHBondContact O-N 2.93Å; M152-D155 PolarHBondContact O-N 3.46Å; M152-D156 PolarHBondContact O-N 3.22Å |
| 153 | A | 94.6 | Very high | 95.6 | Very high | 33 Ų | 33 | 97.3 Ų | 97.3 | 27% | 0.273 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | N149 A150 R151 D156 F157 | N149-A153 WeakPolarHBondContact O-CB 3.36Å; N149-A153 PolarHBondContact O-N 3.41Å; A150-A153 PolarHBondContact O-N 3.45Å; R151-A153 VanDerWaalsContact C-N 3.29Å; R151-A153 PolarHBondContact O-N 3.13Å; A153-D156 PolarHBondContact O-N 3.32Å; A153-F157 HydrophobicContact CB-CE2 4.47Å; A153-F157 WeakPolarHBondContact O-CD2 3.23Å; A153-F157 WeakPolarHBondContact O-CG 3.4Å; A153-F157 PolarHBondContact O-N 3Å |
| 154 | V | 96 | Very high | 95.5 | Very high | 78 Ų | 78 | 99.9 Ų | 99.9 | 47% | 0.473 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 174.1 | 167.1 | 0 | 0 | 0 | 0 | 111 | A150 R151 M152 D156 F157 N158 | A150-V154 WeakPolarHBondContact O-CG2 3.39Å; A150-V154 PolarHBondContact O-N 3.48Å; R151-V154 PolarHBondContact O-N 3.04Å; M152-V154 PolarHBondContact O-N 2.93Å; V154-D156 VanDerWaalsContact C-N 3.35Å; V154-D156 PolarHBondContact O-N 2.99Å; V154-F157 PolarHBondContact O-N 3.49Å; V154-N158 WeakPolarHBondContact CG1-ND2 3.25Å; V154-N158 WeakPolarHBondContact O-CB 3.44Å; V154-N158 VanDerWaalsContact O-CG 3.23Å; V154-N158 PolarHBondContact O-N 3.26Å; V154-N158 PolarHBondContact O-ND2 2.97Å |
| 155 | D | 93.1 | Very high | 95.2 | Very high | 85 Ų | 85 | 100.5 Ų | 100.5 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 178.4 | -68.7 | -22.1 | 0 | 0 | 0 | 111.6 | R151 M152 N158 L159 | R151-D155 PolarHBondContact O-N 3.33Å; M152-D155 PolarHBondContact O-N 3.46Å; D155-N158 PolarHBondContact O-N 2.91Å; D155-L159 WeakPolarHBondContact O-CB 2.88Å; D155-L159 PolarHBondContact O-N 3.38Å |
| 156 | D | 96.6 | Very high | 94.9 | Very high | 91 Ų | 91 | 98.7 Ų | 98.7 | 49% | 0.487 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 173.5 | -79.3 | -10.9 | 0 | 0 | 0 | 112.2 | M152 A153 V154 K160 | M152-D156 PolarHBondContact O-N 3.22Å; A153-D156 PolarHBondContact O-N 3.32Å; V154-D156 VanDerWaalsContact C-N 3.35Å; V154-D156 PolarHBondContact O-N 2.99Å; D156-K160 VanDerWaalsContact O-CG 3.3Å; D156-K160 WeakPolarHBondContact O-CG 3.44Å; D156-K160 PolarHBondContact O-N 2.91Å |
| 157 | F | 96.3 | Very high | 94.7 | Very high | 137 Ų | 137 | 99 Ų | 99 | 60% | 0.601 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.1 | -38 | 176.3 | -72.3 | -52.6 | 0 | 0 | 0 | 112.3 | A153 V154 K160 F161 | A153-F157 HydrophobicContact CB-CE2 4.47Å; A153-F157 WeakPolarHBondContact O-CD2 3.23Å; A153-F157 WeakPolarHBondContact O-CG 3.4Å; A153-F157 PolarHBondContact O-N 3Å; V154-F157 PolarHBondContact O-N 3.49Å; F157-K160 PolarHBondContact O-N 3.14Å; F157-F161 VanDerWaalsContact O-CB 3.3Å; F157-F161 WeakPolarHBondContact O-CB 3.36Å; F157-F161 PolarHBondContact O-N 3.21Å |
| 158 | N | 94.1 | Very high | 94.7 | Very high | 85 Ų | 85 | 100 Ų | 100 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 174.6 | -73.4 | -28.2 | 0 | 0 | 0 | 111 | V154 D155 K160 F161 E162 | V154-N158 WeakPolarHBondContact CG1-ND2 3.25Å; V154-N158 WeakPolarHBondContact O-CB 3.44Å; V154-N158 VanDerWaalsContact O-CG 3.23Å; V154-N158 PolarHBondContact O-N 3.26Å; V154-N158 PolarHBondContact O-ND2 2.97Å; D155-N158 PolarHBondContact O-N 2.91Å; N158-K160 VanDerWaalsContact C-N 3.34Å; N158-K160 PolarHBondContact O-N 3.48Å; N158-F161 PolarHBondContact O-N 3.43Å; N158-E162 WeakPolarHBondContact O-CG 3.46Å; N158-E162 PolarHBondContact O-N 2.95Å |
| 159 | L | 91 | Very high | 94.6 | Very high | 107 Ų | 107 | 101.8 Ų | 101.8 | 56% | 0.56 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.9 | -45.4 | 176.3 | -172.7 | 80.8 | 0 | 0 | 0 | 111.4 | D155 F161 E162 N163 | D155-L159 WeakPolarHBondContact O-CB 2.88Å; D155-L159 PolarHBondContact O-N 3.38Å; L159-F161 VanDerWaalsContact C-N 3.35Å; L159-E162 PolarHBondContact O-N 2.86Å; L159-N163 WeakPolarHBondContact O-CB 3.44Å; L159-N163 PolarHBondContact O-N 3.31Å; L159-N163 PolarHBondContact O-ND2 2.83Å |
| 160 | K | 96.9 | Very high | 94.6 | Very high | 117 Ų | 117 | 101.4 Ų | 101.4 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 176.2 | -73.6 | 172.9 | -175.4 | 173.5 | 0 | 111.7 | D156 F157 N158 N163 E164 | D156-K160 VanDerWaalsContact O-CG 3.3Å; D156-K160 WeakPolarHBondContact O-CG 3.44Å; D156-K160 PolarHBondContact O-N 2.91Å; F157-K160 PolarHBondContact O-N 3.14Å; N158-K160 VanDerWaalsContact C-N 3.34Å; N158-K160 PolarHBondContact O-N 3.48Å; K160-N163 PolarHBondContact O-N 3.29Å; K160-E164 WeakPolarHBondContact O-CB 3.37Å; K160-E164 WeakPolarHBondContact O-CG 3.39Å; K160-E164 PolarHBondContact O-N 2.89Å |
| 161 | F | 95.9 | Very high | 94.7 | Very high | 119 Ų | 119 | 102.9 Ų | 102.9 | 52% | 0.522 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 177.7 | 174.1 | -97.7 | 0 | 0 | 0 | 111.8 | F157 N158 L159 N163 E164 H165 | F157-F161 VanDerWaalsContact O-CB 3.3Å; F157-F161 WeakPolarHBondContact O-CB 3.36Å; F157-F161 PolarHBondContact O-N 3.21Å; N158-F161 PolarHBondContact O-N 3.43Å; L159-F161 VanDerWaalsContact C-N 3.35Å; F161-N163 VanDerWaalsContact C-N 3.34Å; F161-N163 PolarHBondContact O-N 3.03Å; F161-E164 PolarHBondContact O-N 3.37Å; F161-H165 WeakPolarHBondContact O-CB 3.4Å; F161-H165 PolarHBondContact O-N 3.18Å |
| 162 | E | 94.9 | Very high | 94.9 | Very high | 112 Ų | 112 | 100 Ų | 100 | 52% | 0.523 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 178 | -70.7 | -61.2 | 152.9 | 0 | 0 | 111.8 | N158 L159 H165 S166 | N158-E162 WeakPolarHBondContact O-CG 3.46Å; N158-E162 PolarHBondContact O-N 2.95Å; L159-E162 PolarHBondContact O-N 2.86Å; E162-H165 PolarHBondContact O-N 3.46Å; E162-S166 WeakPolarHBondContact O-CB 3.31Å; E162-S166 PolarHBondContact O-N 3.41Å; E162-S166 PolarHBondContact O-OG 3.46Å |
| 163 | N | 91.5 | Very high | 95.1 | Very high | 92 Ų | 92 | 99 Ų | 99 | 49% | 0.492 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.5 | -43.9 | 175.9 | -69.7 | -23.7 | 0 | 0 | 0 | 112.6 | L159 K160 F161 H165 S166 L167 | L159-N163 WeakPolarHBondContact O-CB 3.44Å; L159-N163 PolarHBondContact O-N 3.31Å; L159-N163 PolarHBondContact O-ND2 2.83Å; K160-N163 PolarHBondContact O-N 3.29Å; F161-N163 VanDerWaalsContact C-N 3.34Å; F161-N163 PolarHBondContact O-N 3.03Å; N163-H165 VanDerWaalsContact C-N 3.33Å; N163-S166 PolarHBondContact O-OG 2.99Å; N163-L167 WeakPolarHBondContact O-CB 3.4Å; N163-L167 PolarHBondContact O-N 3.33Å |
| 164 | E | 94.7 | Very high | 95.2 | Very high | 140 Ų | 140 | 103 Ų | 103 | 65% | 0.654 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.1 | -38.9 | 175.7 | -76.7 | -174.7 | -177.9 | 0 | 0 | 111.2 | K160 F161 L167 K168 | K160-E164 WeakPolarHBondContact O-CB 3.37Å; K160-E164 WeakPolarHBondContact O-CG 3.39Å; K160-E164 PolarHBondContact O-N 2.89Å; F161-E164 PolarHBondContact O-N 3.37Å; E164-L167 PolarHBondContact O-N 3.13Å; E164-K168 VanDerWaalsContact O-CB 3.27Å; E164-K168 WeakPolarHBondContact O-CB 3.49Å; E164-K168 PolarHBondContact O-N 3.12Å |
| 165 | H | 91.4 | Very high | 95.3 | Very high | 92 Ų | 92 | 102.7 Ų | 102.7 | 43% | 0.426 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -42.1 | 177.2 | 178.2 | -98.4 | 0 | 0 | 0 | 111.8 | F161 E162 N163 K168 K169 | F161-H165 WeakPolarHBondContact O-CB 3.4Å; F161-H165 PolarHBondContact O-N 3.18Å; E162-H165 PolarHBondContact O-N 3.46Å; N163-H165 VanDerWaalsContact C-N 3.33Å; H165-K168 PolarHBondContact O-N 2.95Å; H165-K169 PolarHBondContact O-N 3Å |
| 166 | S | 90.9 | Very high | 95.6 | Very high | 54 Ų | 54 | 102.6 Ų | 102.6 | 38% | 0.378 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -46.4 | 174.7 | 67.6 | 0 | 0 | 0 | 0 | 111.3 | E162 N163 K168 K169 D170 | E162-S166 WeakPolarHBondContact O-CB 3.31Å; E162-S166 PolarHBondContact O-N 3.41Å; E162-S166 PolarHBondContact O-OG 3.46Å; N163-S166 PolarHBondContact O-OG 2.99Å; S166-K168 VanDerWaalsContact C-N 3.33Å; S166-K168 PolarHBondContact O-N 2.92Å; S166-K169 WeakPolarHBondContact O-CB 3.43Å; S166-K169 PolarHBondContact O-N 3.14Å; S166-K169 VanDerWaalsContact O-N 3.13Å; S166-D170 PolarHBondContact O-N 2.87Å |
| 167 | L | 95.1 | Very high | 95.7 | Very high | 101 Ų | 101 | 99.9 Ų | 99.9 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 177.2 | 179.7 | 65.3 | 0 | 0 | 0 | 111.6 | N163 E164 K169 D170 L171 | N163-L167 WeakPolarHBondContact O-CB 3.4Å; N163-L167 PolarHBondContact O-N 3.33Å; E164-L167 PolarHBondContact O-N 3.13Å; L167-K169 VanDerWaalsContact C-N 3.3Å; L167-K169 PolarHBondContact O-N 3.42Å; L167-D170 PolarHBondContact O-N 2.88Å; L167-L171 HydrophobicContact CG-CD1 4.26Å; L167-L171 WeakPolarHBondContact O-CG 3.48Å; L167-L171 PolarHBondContact O-N 3.27Å |
| 168 | K | 97.4 | Very high | 95.8 | Very high | 120 Ų | 120 | 98.2 Ų | 98.2 | 52% | 0.522 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.9 | -45 | 175.5 | 178.9 | -173.7 | 166.6 | -168.3 | 0 | 110.9 | E164 H165 S166 D170 L171 E172 | E164-K168 VanDerWaalsContact O-CB 3.27Å; E164-K168 WeakPolarHBondContact O-CB 3.49Å; E164-K168 PolarHBondContact O-N 3.12Å; H165-K168 PolarHBondContact O-N 2.95Å; S166-K168 VanDerWaalsContact C-N 3.33Å; S166-K168 PolarHBondContact O-N 2.92Å; K168-D170 VanDerWaalsContact C-N 3.35Å; K168-L171 PolarHBondContact O-N 2.98Å; K168-E172 WeakPolarHBondContact CE-OE1 3.37Å; K168-E172 IonicContact NZ-OE1 3.89Å; K168-E172 WeakPolarHBondContact O-CG 3.36Å; K168-E172 PolarHBondContact O-N 3.46Å |
| 169 | K | 96 | Very high | 96 | Very high | 120 Ų | 120 | 101.3 Ų | 101.3 | 52% | 0.522 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 178.9 | -174.7 | 169.8 | -177.5 | 158.1 | 0 | 112 | H165 S166 L167 E172 I173 | H165-K169 PolarHBondContact O-N 3Å; S166-K169 WeakPolarHBondContact O-CB 3.43Å; S166-K169 PolarHBondContact O-N 3.14Å; S166-K169 VanDerWaalsContact O-N 3.13Å; L167-K169 VanDerWaalsContact C-N 3.3Å; L167-K169 PolarHBondContact O-N 3.42Å; K169-E172 PolarHBondContact O-N 3.13Å; K169-I173 HydrophobicContact CG-CD1 4.27Å; K169-I173 VanDerWaalsContact O-CG1 3.29Å; K169-I173 WeakPolarHBondContact O-CG1 3.42Å; K169-I173 PolarHBondContact O-N 3.49Å |
| 170 | D | 96.2 | Very high | 96.3 | Very high | 95 Ų | 95 | 101.9 Ų | 101.9 | 51% | 0.508 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 176.4 | -65.8 | -22 | 0 | 0 | 0 | 111.2 | S166 L167 K168 I173 E174 | S166-D170 PolarHBondContact O-N 2.87Å; L167-D170 PolarHBondContact O-N 2.88Å; K168-D170 VanDerWaalsContact C-N 3.35Å; D170-I173 WeakPolarHBondContact O-CB 3.5Å; D170-I173 PolarHBondContact O-N 3.47Å; D170-E174 PolarHBondContact O-N 3.37Å |
| 171 | L | 98.1 | Very high | 96.4 | Very high | 87 Ų | 87 | 99.7 Ų | 99.7 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.2 | -39 | 174.4 | -69.4 | 173.9 | 0 | 0 | 0 | 112.4 | L167 K168 I173 E174 V175 | L167-L171 HydrophobicContact CG-CD1 4.26Å; L167-L171 WeakPolarHBondContact O-CG 3.48Å; L167-L171 PolarHBondContact O-N 3.27Å; K168-L171 PolarHBondContact O-N 2.98Å; L171-I173 VanDerWaalsContact C-N 3.31Å; L171-I173 PolarHBondContact O-N 2.94Å; L171-E174 PolarHBondContact O-N 2.83Å; L171-V175 WeakPolarHBondContact O-CB 3.5Å; L171-V175 VanDerWaalsContact O-CG2 3.3Å; L171-V175 WeakPolarHBondContact O-CG2 3.44Å; L171-V175 PolarHBondContact O-N 3.32Å |
| 172 | E | 97.9 | Very high | 96.5 | Very high | 108 Ų | 108 | 99 Ų | 99 | 51% | 0.505 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 174.2 | -77.3 | 177 | 170.1 | 0 | 0 | 111.4 | K168 K169 E176 | K168-E172 WeakPolarHBondContact CE-OE1 3.37Å; K168-E172 IonicContact NZ-OE1 3.89Å; K168-E172 WeakPolarHBondContact O-CG 3.36Å; K168-E172 PolarHBondContact O-N 3.46Å; K169-E172 PolarHBondContact O-N 3.13Å; E172-E176 WeakPolarHBondContact O-CB 3.34Å; E172-E176 PolarHBondContact O-N 3.37Å |
| 173 | I | 97.6 | Very high | 96.7 | Very high | 105 Ų | 105 | 98.3 Ų | 98.3 | 54% | 0.538 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 175 | -67.4 | 163.9 | 0 | 0 | 0 | 110.8 | K169 D170 L171 E176 G177 | K169-I173 HydrophobicContact CG-CD1 4.27Å; K169-I173 VanDerWaalsContact O-CG1 3.29Å; K169-I173 WeakPolarHBondContact O-CG1 3.42Å; K169-I173 PolarHBondContact O-N 3.49Å; D170-I173 WeakPolarHBondContact O-CB 3.5Å; D170-I173 PolarHBondContact O-N 3.47Å; L171-I173 VanDerWaalsContact C-N 3.31Å; L171-I173 PolarHBondContact O-N 2.94Å; I173-E176 PolarHBondContact O-N 3.33Å; I173-G177 PolarHBondContact O-N 2.78Å |
| 174 | E | 98.3 | Very high | 97 | Very high | 118 Ų | 118 | 98.7 Ų | 98.7 | 55% | 0.551 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.1 | -45.3 | 177.7 | -173.2 | -179.6 | 179.1 | 0 | 0 | 111.7 | D170 L171 E176 G177 L178 | D170-E174 PolarHBondContact O-N 3.37Å; L171-E174 PolarHBondContact O-N 2.83Å; E174-E176 VanDerWaalsContact C-N 3.32Å; E174-E176 PolarHBondContact O-N 2.91Å; E174-G177 CarbonylContact O-C 3.58Å; E174-G177 WeakPolarHBondContact O-CA 3.45Å; E174-G177 PolarHBondContact O-N 3.01Å; E174-G177 VanDerWaalsContact O-N 3.13Å; E174-L178 WeakPolarHBondContact O-CG 3.42Å; E174-L178 PolarHBondContact O-N 2.83Å |
| 175 | V | 98.3 | Very high | 97.2 | Very high | 71 Ų | 71 | 97.2 Ų | 97.2 | 43% | 0.43 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 176.3 | 169 | 0 | 0 | 0 | 0 | 111.2 | L171 G177 L178 R179 | L171-V175 WeakPolarHBondContact O-CB 3.5Å; L171-V175 VanDerWaalsContact O-CG2 3.3Å; L171-V175 WeakPolarHBondContact O-CG2 3.44Å; L171-V175 PolarHBondContact O-N 3.32Å; V175-G177 VanDerWaalsContact C-N 3.32Å; V175-L178 PolarHBondContact O-N 3.32Å; V175-R179 WeakPolarHBondContact O-CG 3.49Å; V175-R179 PolarHBondContact O-N 3.3Å |
| 176 | E | 98.3 | Very high | 97.5 | Very high | 84 Ų | 84 | 96 Ų | 96 | 39% | 0.393 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66 | -36.1 | 175.9 | -173.6 | 58.8 | -158.2 | 0 | 0 | 111.8 | E172 I173 E174 R179 K180 | E172-E176 WeakPolarHBondContact O-CB 3.34Å; E172-E176 PolarHBondContact O-N 3.37Å; I173-E176 PolarHBondContact O-N 3.33Å; E174-E176 VanDerWaalsContact C-N 3.32Å; E174-E176 PolarHBondContact O-N 2.91Å; E176-R179 PolarHBondContact O-N 3.26Å; E176-R179 IonicContact OE2-NH1 3.04Å; E176-K180 WeakPolarHBondContact O-CG 3.3Å; E176-K180 PolarHBondContact O-N 3.24Å; E176-K180 VanDerWaalsContact O-N 3.12Å |
| 177 | G | 98.2 | Very high | 97.9 | Very high | 33 Ų | 33 | 98 Ų | 98 | 34% | 0.34 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.1 | -48.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I173 E174 V175 R179 K180 T181 | I173-G177 PolarHBondContact O-N 2.78Å; E174-G177 CarbonylContact O-C 3.58Å; E174-G177 WeakPolarHBondContact O-CA 3.45Å; E174-G177 PolarHBondContact O-N 3.01Å; E174-G177 VanDerWaalsContact O-N 3.13Å; V175-G177 VanDerWaalsContact C-N 3.32Å; G177-R179 VanDerWaalsContact C-N 3.32Å; G177-R179 PolarHBondContact O-N 2.97Å; G177-K180 WeakPolarHBondContact O-CB 3.4Å; G177-K180 PolarHBondContact O-N 2.88Å; G177-T181 WeakPolarHBondContact O-CG2 3.32Å; G177-T181 PolarHBondContact O-N 2.79Å |
| 178 | L | 98.2 | Very high | 98 | Very high | 103 Ų | 103 | 96.8 Ų | 96.8 | 54% | 0.539 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.2 | -39.6 | 177.6 | -71.6 | 174.9 | 0 | 0 | 0 | 112 | E174 V175 T181 L182 | E174-L178 WeakPolarHBondContact O-CG 3.42Å; E174-L178 PolarHBondContact O-N 2.83Å; V175-L178 PolarHBondContact O-N 3.32Å; L178-T181 WeakPolarHBondContact CA-OG1 3.49Å; L178-T181 PolarHBondContact O-N 3.08Å; L178-T181 PolarHBondContact O-OG1 3.37Å; L178-L182 WeakPolarHBondContact O-CB 3.45Å; L178-L182 PolarHBondContact O-N 2.84Å |
| 179 | R | 98.4 | Very high | 98.1 | Very high | 149 Ų | 149 | 94.3 Ų | 94.3 | 56% | 0.562 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.4 | -45.8 | 173.9 | -75.3 | 174.6 | 178.1 | -178.8 | -0.7 | 112 | V175 E176 G177 T181 L182 D183 | V175-R179 WeakPolarHBondContact O-CG 3.49Å; V175-R179 PolarHBondContact O-N 3.3Å; E176-R179 PolarHBondContact O-N 3.26Å; E176-R179 IonicContact OE2-NH1 3.04Å; G177-R179 VanDerWaalsContact C-N 3.32Å; G177-R179 PolarHBondContact O-N 2.97Å; R179-T181 PolarHBondContact O-N 3.4Å; R179-L182 WeakPolarHBondContact O-CB 3.48Å; R179-L182 PolarHBondContact O-N 2.84Å; R179-L182 VanDerWaalsContact O-N 3.16Å; R179-D183 PolarHBondContact O-N 3.13Å |
| 180 | K | 98.3 | Very high | 98.2 | Very high | 119 Ų | 119 | 91.2 Ų | 91.2 | 52% | 0.517 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61 | -43.7 | 175.5 | -69.7 | 172.4 | -176.6 | 175.1 | 0 | 112.2 | E176 G177 L182 D183 D184 | E176-K180 WeakPolarHBondContact O-CG 3.3Å; E176-K180 PolarHBondContact O-N 3.24Å; E176-K180 VanDerWaalsContact O-N 3.12Å; G177-K180 WeakPolarHBondContact O-CB 3.4Å; G177-K180 PolarHBondContact O-N 2.88Å; K180-L182 VanDerWaalsContact C-N 3.26Å; K180-L182 PolarHBondContact O-N 3.36Å; K180-D183 PolarHBondContact O-N 3.42Å; K180-D184 VanDerWaalsContact O-CG 3.3Å; K180-D184 PolarHBondContact O-N 3.37Å |
| 181 | T | 98.4 | Very high | 98.3 | Very high | 71 Ų | 71 | 90.9 Ų | 90.9 | 44% | 0.436 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.9 | -33.4 | 176.5 | 60.8 | 0 | 0 | 0 | 0 | 112.7 | G177 L178 R179 L185 | G177-T181 WeakPolarHBondContact O-CG2 3.32Å; G177-T181 PolarHBondContact O-N 2.79Å; L178-T181 WeakPolarHBondContact CA-OG1 3.49Å; L178-T181 PolarHBondContact O-N 3.08Å; L178-T181 PolarHBondContact O-OG1 3.37Å; R179-T181 PolarHBondContact O-N 3.4Å; T181-L185 WeakPolarHBondContact O-CB 3.49Å; T181-L185 VanDerWaalsContact O-CG 3.25Å; T181-L185 WeakPolarHBondContact O-CG 3.39Å; T181-L185 PolarHBondContact O-N 3.45Å |
| 182 | L | 98.6 | Very high | 98.3 | Very high | 106 Ų | 106 | 91.1 Ų | 91.1 | 56% | 0.555 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67.6 | -42.6 | 174.1 | 177.7 | 65.2 | 0 | 0 | 0 | 111.2 | L178 R179 K180 L185 T186 | L178-L182 WeakPolarHBondContact O-CB 3.45Å; L178-L182 PolarHBondContact O-N 2.84Å; R179-L182 WeakPolarHBondContact O-CB 3.48Å; R179-L182 PolarHBondContact O-N 2.84Å; R179-L182 VanDerWaalsContact O-N 3.16Å; K180-L182 VanDerWaalsContact C-N 3.26Å; K180-L182 PolarHBondContact O-N 3.36Å; L182-L185 PolarHBondContact O-N 3.46Å; L182-T186 WeakPolarHBondContact O-CB 3.19Å; L182-T186 PolarHBondContact O-N 3.02Å; L182-T186 PolarHBondContact O-OG1 3.22Å |
| 183 | D | 98.6 | Very high | 98.3 | Very high | 97 Ų | 97 | 92.2 Ų | 92.2 | 52% | 0.519 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 175.7 | -67.5 | -21 | 0 | 0 | 0 | 110.9 | R179 K180 L185 T186 I187 | R179-D183 PolarHBondContact O-N 3.13Å; K180-D183 PolarHBondContact O-N 3.42Å; D183-L185 PolarHBondContact O-N 3.4Å; D183-T186 WeakPolarHBondContact O-CB 3.38Å; D183-T186 PolarHBondContact O-N 3.24Å; D183-T186 VanDerWaalsContact O-N 3.13Å; D183-I187 WeakPolarHBondContact O-CG1 3.32Å; D183-I187 PolarHBondContact O-N 3.44Å |
| 184 | D | 98.4 | Very high | 98.4 | Very high | 99 Ų | 99 | 93.5 Ų | 93.5 | 53% | 0.529 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 175.8 | -69.1 | -23.1 | 0 | 0 | 0 | 111.7 | K180 T186 I187 V188 | K180-D184 VanDerWaalsContact O-CG 3.3Å; K180-D184 PolarHBondContact O-N 3.37Å; D184-T186 VanDerWaalsContact C-N 3.29Å; D184-T186 PolarHBondContact O-N 3.33Å; D184-I187 PolarHBondContact O-N 3.44Å; D184-V188 WeakPolarHBondContact O-CG2 3.45Å; D184-V188 PolarHBondContact O-N 3.45Å |
| 185 | L | 98.4 | Very high | 98.4 | Very high | 109 Ų | 109 | 93.6 Ų | 93.6 | 57% | 0.571 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.6 | -38.2 | 174.7 | -77.2 | 172 | 0 | 0 | 0 | 111.7 | T181 L182 D183 I187 V188 T189 | T181-L185 WeakPolarHBondContact O-CB 3.49Å; T181-L185 VanDerWaalsContact O-CG 3.25Å; T181-L185 WeakPolarHBondContact O-CG 3.39Å; T181-L185 PolarHBondContact O-N 3.45Å; L182-L185 PolarHBondContact O-N 3.46Å; D183-L185 PolarHBondContact O-N 3.4Å; L185-I187 VanDerWaalsContact C-N 3.34Å; L185-V188 PolarHBondContact O-N 2.99Å; L185-T189 WeakPolarHBondContact O-CG2 3.41Å; L185-T189 PolarHBondContact O-N 2.85Å; L185-T189 PolarHBondContact O-OG1 3.32Å; L185-T189 VanDerWaalsContact O-OG1 3.14Å |
| 186 | T | 98.5 | Very high | 98.4 | Very high | 68 Ų | 68 | 92.9 Ų | 92.9 | 42% | 0.417 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 177.2 | -57.7 | 0 | 0 | 0 | 0 | 110.4 | L182 D183 D184 T189 T190 | L182-T186 WeakPolarHBondContact O-CB 3.19Å; L182-T186 PolarHBondContact O-N 3.02Å; L182-T186 PolarHBondContact O-OG1 3.22Å; D183-T186 WeakPolarHBondContact O-CB 3.38Å; D183-T186 PolarHBondContact O-N 3.24Å; D183-T186 VanDerWaalsContact O-N 3.13Å; D184-T186 VanDerWaalsContact C-N 3.29Å; D184-T186 PolarHBondContact O-N 3.33Å; T186-T189 VanDerWaalsContact CA-OG1 3.31Å; T186-T189 WeakPolarHBondContact CA-OG1 3.49Å; T186-T189 PolarHBondContact O-N 3.06Å; T186-T189 PolarHBondContact O-OG1 3.44Å; T186-T190 WeakPolarHBondContact O-CG2 3.44Å; T186-T190 PolarHBondContact O-N 2.88Å; T186-T190 PolarHBondContact O-OG1 2.9Å |
| 187 | I | 98.5 | Very high | 98.3 | Very high | 94 Ų | 94 | 92.7 Ų | 92.7 | 48% | 0.482 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.4 | -51.3 | 174.8 | -64.8 | 165.4 | 0 | 0 | 0 | 110.4 | D183 D184 L185 T189 T190 D191 | D183-I187 WeakPolarHBondContact O-CG1 3.32Å; D183-I187 PolarHBondContact O-N 3.44Å; D184-I187 PolarHBondContact O-N 3.44Å; L185-I187 VanDerWaalsContact C-N 3.34Å; I187-T189 VanDerWaalsContact C-N 3.31Å; I187-T189 PolarHBondContact O-N 3.02Å; I187-T190 PolarHBondContact O-N 3.23Å; I187-T190 VanDerWaalsContact O-N 3.1Å; I187-T190 PolarHBondContact O-OG1 3.36Å; I187-D191 PolarHBondContact O-N 3.03Å |
| 188 | V | 98.5 | Very high | 98.4 | Very high | 76 Ų | 76 | 92.4 Ų | 92.4 | 46% | 0.461 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59 | -41.7 | 178.8 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | D184 L185 D191 L192 | D184-V188 WeakPolarHBondContact O-CG2 3.45Å; D184-V188 PolarHBondContact O-N 3.45Å; L185-V188 PolarHBondContact O-N 2.99Å; V188-D191 PolarHBondContact O-N 2.9Å; V188-L192 HydrophobicContact CG1-CD1 4.08Å; V188-L192 WeakPolarHBondContact O-CG 3.47Å; V188-L192 PolarHBondContact O-N 3.38Å |
| 189 | T | 98.5 | Very high | 98.3 | Very high | 69 Ų | 69 | 92.4 Ų | 92.4 | 42% | 0.423 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.3 | -42 | 176.3 | 50.3 | 0 | 0 | 0 | 0 | 111.9 | L185 T186 I187 D191 L192 E193 | L185-T189 WeakPolarHBondContact O-CG2 3.41Å; L185-T189 PolarHBondContact O-N 2.85Å; L185-T189 PolarHBondContact O-OG1 3.32Å; L185-T189 VanDerWaalsContact O-OG1 3.14Å; T186-T189 VanDerWaalsContact CA-OG1 3.31Å; T186-T189 WeakPolarHBondContact CA-OG1 3.49Å; T186-T189 PolarHBondContact O-N 3.06Å; T186-T189 PolarHBondContact O-OG1 3.44Å; I187-T189 VanDerWaalsContact C-N 3.31Å; I187-T189 PolarHBondContact O-N 3.02Å; T189-D191 VanDerWaalsContact C-N 3.35Å; T189-D191 PolarHBondContact O-N 2.97Å; T189-L192 PolarHBondContact O-N 2.98Å; T189-E193 WeakPolarHBondContact O-CB 3.43Å; T189-E193 VanDerWaalsContact O-CG 3.28Å; T189-E193 WeakPolarHBondContact O-CG 2.99Å; T189-E193 PolarHBondContact O-N 3.35Å |
| 190 | T | 98.4 | Very high | 98.3 | Very high | 55 Ų | 55 | 92.1 Ų | 92.1 | 34% | 0.337 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.9 | -35.4 | 177.7 | 56.7 | 0 | 0 | 0 | 0 | 112.6 | T186 I187 E193 Q194 | T186-T190 WeakPolarHBondContact O-CG2 3.44Å; T186-T190 PolarHBondContact O-N 2.88Å; T186-T190 PolarHBondContact O-OG1 2.9Å; I187-T190 PolarHBondContact O-N 3.23Å; I187-T190 VanDerWaalsContact O-N 3.1Å; I187-T190 PolarHBondContact O-OG1 3.36Å; T190-E193 PolarHBondContact O-N 3.42Å; T190-Q194 VanDerWaalsContact O-CG 3.31Å; T190-Q194 WeakPolarHBondContact O-CG 3.43Å; T190-Q194 PolarHBondContact O-N 3.25Å |
| 191 | D | 98.5 | Very high | 98.3 | Very high | 88 Ų | 88 | 92.1 Ų | 92.1 | 47% | 0.471 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 175.7 | -71.9 | -16.4 | 0 | 0 | 0 | 111.1 | I187 V188 T189 E193 Q194 E195 | I187-D191 PolarHBondContact O-N 3.03Å; V188-D191 PolarHBondContact O-N 2.9Å; T189-D191 VanDerWaalsContact C-N 3.35Å; T189-D191 PolarHBondContact O-N 2.97Å; D191-E193 PolarHBondContact O-N 2.97Å; D191-Q194 WeakPolarHBondContact O-CB 3.49Å; D191-Q194 PolarHBondContact O-N 2.87Å; D191-E195 PolarHBondContact O-N 2.93Å |
| 192 | L | 98.3 | Very high | 98.2 | Very high | 92 Ų | 92 | 95 Ų | 95 | 48% | 0.482 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.4 | -39.2 | 175.5 | -70.4 | 172.8 | 0 | 0 | 0 | 112 | V188 T189 Q194 E195 V196 | V188-L192 HydrophobicContact CG1-CD1 4.08Å; V188-L192 WeakPolarHBondContact O-CG 3.47Å; V188-L192 PolarHBondContact O-N 3.38Å; T189-L192 PolarHBondContact O-N 2.98Å; L192-Q194 VanDerWaalsContact C-N 3.32Å; L192-Q194 PolarHBondContact O-N 3.49Å; L192-E195 PolarHBondContact O-N 2.88Å; L192-V196 WeakPolarHBondContact O-CB 3.3Å; L192-V196 VanDerWaalsContact O-CG2 3.29Å; L192-V196 WeakPolarHBondContact O-CG2 3.46Å; L192-V196 PolarHBondContact O-N 3.32Å |
| 193 | E | 98.1 | Very high | 98.2 | Very high | 131 Ų | 131 | 94.6 Ų | 94.6 | 61% | 0.612 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.4 | -40.5 | 173.8 | -77.1 | 176.5 | 173 | 0 | 0 | 111.7 | T189 T190 D191 E197 | T189-E193 WeakPolarHBondContact O-CB 3.43Å; T189-E193 VanDerWaalsContact O-CG 3.28Å; T189-E193 WeakPolarHBondContact O-CG 2.99Å; T189-E193 PolarHBondContact O-N 3.35Å; T190-E193 PolarHBondContact O-N 3.42Å; D191-E193 PolarHBondContact O-N 2.97Å; E193-E197 WeakPolarHBondContact O-CB 2.94Å; E193-E197 PolarHBondContact O-N 2.9Å |
| 194 | Q | 98.2 | Very high | 98.1 | Very high | 132 Ų | 132 | 95.2 Ų | 95.2 | 62% | 0.617 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.5 | -42.5 | 174.5 | -73 | 176.4 | 29.7 | 0 | 0 | 112.2 | T190 D191 L192 E197 G198 | T190-Q194 VanDerWaalsContact O-CG 3.31Å; T190-Q194 WeakPolarHBondContact O-CG 3.43Å; T190-Q194 PolarHBondContact O-N 3.25Å; D191-Q194 WeakPolarHBondContact O-CB 3.49Å; D191-Q194 PolarHBondContact O-N 2.87Å; L192-Q194 VanDerWaalsContact C-N 3.32Å; L192-Q194 PolarHBondContact O-N 3.49Å; Q194-E197 PolarHBondContact O-N 3.19Å; Q194-G198 PolarHBondContact O-N 3.31Å |
| 195 | E | 98.4 | Very high | 98 | Very high | 119 Ų | 119 | 95.7 Ų | 95.7 | 56% | 0.556 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.9 | -45 | 176.9 | -168.8 | -178.8 | -178.5 | 0 | 0 | 111.4 | D191 L192 E197 G198 M199 | D191-E195 PolarHBondContact O-N 2.93Å; L192-E195 PolarHBondContact O-N 2.88Å; E195-E197 VanDerWaalsContact C-N 3.34Å; E195-E197 PolarHBondContact O-N 3.4Å; E195-G198 PolarHBondContact O-N 3.27Å; E195-M199 HydrophobicContact CG-CE 4.38Å; E195-M199 WeakPolarHBondContact O-CG 3.36Å; E195-M199 PolarHBondContact O-N 2.91Å |
| 196 | V | 98.1 | Very high | 97.9 | Very high | 56 Ų | 56 | 95.8 Ų | 95.8 | 34% | 0.339 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 175.6 | 169.4 | 0 | 0 | 0 | 0 | 111.2 | L192 G198 M199 R200 | L192-V196 WeakPolarHBondContact O-CB 3.3Å; L192-V196 VanDerWaalsContact O-CG2 3.29Å; L192-V196 WeakPolarHBondContact O-CG2 3.46Å; L192-V196 PolarHBondContact O-N 3.32Å; V196-G198 VanDerWaalsContact C-N 3.34Å; V196-M199 HydrophobicContact CG2-CE 4.42Å; V196-M199 PolarHBondContact O-N 3.01Å; V196-R200 VanDerWaalsContact CG1-CZ 3.44Å; V196-R200 WeakPolarHBondContact O-CG 3.4Å; V196-R200 PolarHBondContact O-N 3.47Å |
| 197 | E | 98 | Very high | 97.8 | Very high | 81 Ų | 81 | 99.2 Ų | 99.2 | 38% | 0.379 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.3 | -34.4 | 177.7 | -170.4 | 57.4 | -155.4 | 0 | 0 | 112.1 | E193 Q194 E195 R200 K201 | E193-E197 WeakPolarHBondContact O-CB 2.94Å; E193-E197 PolarHBondContact O-N 2.9Å; Q194-E197 PolarHBondContact O-N 3.19Å; E195-E197 VanDerWaalsContact C-N 3.34Å; E195-E197 PolarHBondContact O-N 3.4Å; E197-R200 PolarHBondContact O-N 3.35Å; E197-R200 IonicContact OE2-NH1 3.95Å; E197-R200 PolarHBondContact OE2-NH1 3.31Å; E197-K201 VanDerWaalsContact O-CG 3.32Å; E197-K201 WeakPolarHBondContact O-CG 3.27Å; E197-K201 PolarHBondContact O-N 2.86Å |
| 198 | G | 98.3 | Very high | 97.7 | Very high | 27 Ų | 27 | 100.3 Ų | 100.3 | 28% | 0.278 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.1 | -53.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q194 E195 V196 R200 K201 E202 | Q194-G198 PolarHBondContact O-N 3.31Å; E195-G198 PolarHBondContact O-N 3.27Å; V196-G198 VanDerWaalsContact C-N 3.34Å; G198-R200 VanDerWaalsContact C-N 3.3Å; G198-R200 PolarHBondContact O-N 2.98Å; G198-K201 WeakPolarHBondContact O-CB 3.12Å; G198-K201 PolarHBondContact O-N 3.49Å; G198-K201 VanDerWaalsContact O-N 3.13Å; G198-E202 PolarHBondContact O-N 3.18Å |
| 199 | M | 97.7 | Very high | 97.5 | Very high | 103 Ų | 103 | 103.7 Ų | 103.7 | 51% | 0.507 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.1 | -38.1 | 177 | -71.4 | -168.7 | -74.7 | 0 | 0 | 112.5 | E195 V196 E202 L203 | E195-M199 HydrophobicContact CG-CE 4.38Å; E195-M199 WeakPolarHBondContact O-CG 3.36Å; E195-M199 PolarHBondContact O-N 2.91Å; V196-M199 HydrophobicContact CG2-CE 4.42Å; V196-M199 PolarHBondContact O-N 3.01Å; M199-E202 PolarHBondContact O-N 3.41Å; M199-L203 WeakPolarHBondContact O-CB 3.49Å; M199-L203 PolarHBondContact O-N 3.42Å |
| 200 | R | 97.7 | Very high | 97.3 | Very high | 143 Ų | 143 | 105.7 Ų | 105.7 | 54% | 0.54 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 174.4 | -78 | 178.9 | -175.6 | 139 | 3.6 | 112 | V196 E197 G198 L203 I204 | V196-R200 VanDerWaalsContact CG1-CZ 3.44Å; V196-R200 WeakPolarHBondContact O-CG 3.4Å; V196-R200 PolarHBondContact O-N 3.47Å; E197-R200 PolarHBondContact O-N 3.35Å; E197-R200 IonicContact OE2-NH1 3.95Å; E197-R200 PolarHBondContact OE2-NH1 3.31Å; G198-R200 VanDerWaalsContact C-N 3.3Å; G198-R200 PolarHBondContact O-N 2.98Å; R200-L203 PolarHBondContact O-N 3.4Å; R200-I204 WeakPolarHBondContact O-CG1 3.45Å; R200-I204 PolarHBondContact O-N 3.33Å |
| 201 | K | 97.9 | Very high | 97.1 | Very high | 119 Ų | 119 | 109 Ų | 109 | 52% | 0.517 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 176.3 | -72.3 | 166.4 | -176.7 | 165.3 | 0 | 111.3 | E197 G198 L203 I204 L205 | E197-K201 VanDerWaalsContact O-CG 3.32Å; E197-K201 WeakPolarHBondContact O-CG 3.27Å; E197-K201 PolarHBondContact O-N 2.86Å; G198-K201 WeakPolarHBondContact O-CB 3.12Å; G198-K201 PolarHBondContact O-N 3.49Å; G198-K201 VanDerWaalsContact O-N 3.13Å; K201-L203 VanDerWaalsContact C-N 3.34Å; K201-L203 PolarHBondContact O-N 2.85Å; K201-I204 PolarHBondContact O-N 3.25Å; K201-L205 WeakPolarHBondContact O-CG 3.47Å; K201-L205 PolarHBondContact O-N 3.4Å |
| 202 | E | 97.4 | Very high | 96.7 | Very high | 130 Ų | 130 | 109.7 Ų | 109.7 | 61% | 0.607 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.5 | -42.6 | 176.2 | -71.4 | -175.7 | 173.4 | 0 | 0 | 112.3 | G198 M199 I204 L205 M206 | G198-E202 PolarHBondContact O-N 3.18Å; M199-E202 PolarHBondContact O-N 3.41Å; E202-I204 VanDerWaalsContact C-N 3.33Å; E202-I204 PolarHBondContact O-N 3.49Å; E202-L205 PolarHBondContact O-N 2.88Å; E202-M206 WeakPolarHBondContact O-CB 3.3Å; E202-M206 PolarHBondContact O-N 2.9Å |
| 203 | L | 97.1 | Very high | 96.2 | Very high | 99 Ų | 99 | 110.1 Ų | 110.1 | 52% | 0.518 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 176.8 | -172.1 | 131.6 | 0 | 0 | 0 | 112.1 | M199 R200 K201 K207 | M199-L203 WeakPolarHBondContact O-CB 3.49Å; M199-L203 PolarHBondContact O-N 3.42Å; R200-L203 PolarHBondContact O-N 3.4Å; K201-L203 VanDerWaalsContact C-N 3.34Å; K201-L203 PolarHBondContact O-N 2.85Å; L203-K207 HydrophobicContact CD2-CD 4.08Å; L203-K207 WeakPolarHBondContact O-CB 3.44Å; L203-K207 WeakPolarHBondContact O-CG 3.29Å; L203-K207 PolarHBondContact O-N 3.29Å |
| 204 | I | 97.3 | Very high | 95.7 | Very high | 109 Ų | 109 | 108.7 Ų | 108.7 | 56% | 0.559 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.2 | -45.1 | 174 | -67 | 164.9 | 0 | 0 | 0 | 110.6 | R200 K201 E202 K207 K208 | R200-I204 WeakPolarHBondContact O-CG1 3.45Å; R200-I204 PolarHBondContact O-N 3.33Å; K201-I204 PolarHBondContact O-N 3.25Å; E202-I204 VanDerWaalsContact C-N 3.33Å; E202-I204 PolarHBondContact O-N 3.49Å; I204-K207 PolarHBondContact O-N 2.93Å; I204-K208 WeakPolarHBondContact O-CB 3.43Å; I204-K208 PolarHBondContact O-N 2.9Å |
| 205 | L | 96.8 | Very high | 95 | Very high | 110 Ų | 110 | 109.1 Ų | 109.1 | 58% | 0.576 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.5 | -42.5 | 178.3 | -71.1 | 173 | 0 | 0 | 0 | 112.3 | K201 E202 K208 R209 | K201-L205 WeakPolarHBondContact O-CG 3.47Å; K201-L205 PolarHBondContact O-N 3.4Å; E202-L205 PolarHBondContact O-N 2.88Å; L205-K208 PolarHBondContact O-N 2.91Å; L205-R209 WeakPolarHBondContact O-CB 3.29Å; L205-R209 PolarHBondContact O-N 3.43Å |
| 206 | M | 96.1 | Very high | 94.3 | Very high | 111 Ų | 111 | 111.3 Ų | 111.3 | 55% | 0.547 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 175.2 | -90.9 | -77.4 | 165.1 | 0 | 0 | 111.8 | E202 K208 R209 H210 | E202-M206 WeakPolarHBondContact O-CB 3.3Å; E202-M206 PolarHBondContact O-N 2.9Å; M206-K208 PolarHBondContact O-N 2.88Å; M206-R209 PolarHBondContact O-N 2.92Å; M206-H210 WeakPolarHBondContact O-CB 3.44Å; M206-H210 PolarHBondContact O-N 3.25Å |
| 207 | K | 96.3 | Very high | 92.9 | Very high | 139 Ų | 139 | 113.6 Ų | 113.6 | 60% | 0.604 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.1 | -45.9 | 175.6 | -78.7 | -179.6 | 176.5 | -179 | 0 | 112.1 | L203 I204 R209 H210 E211 | L203-K207 HydrophobicContact CD2-CD 4.08Å; L203-K207 WeakPolarHBondContact O-CB 3.44Å; L203-K207 WeakPolarHBondContact O-CG 3.29Å; L203-K207 PolarHBondContact O-N 3.29Å; I204-K207 PolarHBondContact O-N 2.93Å; K207-R209 PolarHBondContact O-N 2.94Å; K207-H210 PolarHBondContact O-N 2.83Å; K207-E211 WeakPolarHBondContact O-CB 3.21Å; K207-E211 PolarHBondContact O-N 2.84Å |
| 208 | K | 96.8 | Very high | 91.2 | Very high | 118 Ų | 118 | 116.7 Ų | 116.7 | 51% | 0.513 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 177.8 | -173.6 | 177.3 | -178.6 | 178.8 | 0 | 112 | I204 L205 M206 E211 Q212 | I204-K208 WeakPolarHBondContact O-CB 3.43Å; I204-K208 PolarHBondContact O-N 2.9Å; L205-K208 PolarHBondContact O-N 2.91Å; M206-K208 PolarHBondContact O-N 2.88Å; K208-E211 PolarHBondContact O-N 3.31Å; K208-Q212 VanDerWaalsContact O-CG 3.31Å; K208-Q212 WeakPolarHBondContact O-CG 3.49Å; K208-Q212 PolarHBondContact O-N 2.9Å |
| 209 | R | 94.8 | Very high | 89.4 | Confident | 146 Ų | 146 | 122 Ų | 122 | 55% | 0.551 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.4 | -45.8 | 175.1 | -175.5 | -170.8 | -63 | 165.4 | 0.4 | 110.9 | L205 M206 K207 Q212 E213 | L205-R209 WeakPolarHBondContact O-CB 3.29Å; L205-R209 PolarHBondContact O-N 3.43Å; M206-R209 PolarHBondContact O-N 2.92Å; K207-R209 PolarHBondContact O-N 2.94Å; R209-Q212 PolarHBondContact O-N 2.97Å; R209-E213 WeakPolarHBondContact O-CB 3.38Å; R209-E213 PolarHBondContact O-N 2.88Å |
| 210 | H | 93.5 | Very high | 87.2 | Confident | 111 Ų | 111 | 122.1 Ų | 122.1 | 51% | 0.514 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.4 | -42.9 | 177.7 | -179 | 61.2 | 0 | 0 | 0 | 111.7 | M206 K207 Q212 E213 M214 | M206-H210 WeakPolarHBondContact O-CB 3.44Å; M206-H210 PolarHBondContact O-N 3.25Å; K207-H210 PolarHBondContact O-N 2.83Å; H210-Q212 VanDerWaalsContact C-N 3.35Å; H210-Q212 PolarHBondContact O-N 3.47Å; H210-E213 PolarHBondContact O-N 3.25Å; H210-M214 WeakPolarHBondContact O-CB 3.33Å; H210-M214 WeakPolarHBondContact O-CG 3.42Å; H210-M214 PolarHBondContact O-N 3.37Å |
| 211 | E | 93.2 | Very high | 84.9 | Confident | 124 Ų | 124 | 120.9 Ų | 120.9 | 58% | 0.579 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -58.8 | -45.3 | 174.9 | -174.2 | 172.8 | -154.3 | 0 | 0 | 111.7 | K207 K208 M214 E215 | K207-E211 WeakPolarHBondContact O-CB 3.21Å; K207-E211 PolarHBondContact O-N 2.84Å; K208-E211 PolarHBondContact O-N 3.31Å; E211-M214 PolarHBondContact O-N 3.47Å; E211-E215 WeakPolarHBondContact O-CG 3.4Å; E211-E215 PolarHBondContact O-N 3.26Å |
| 212 | Q | 90.6 | Very high | 82.3 | Confident | 104 Ų | 104 | 122.3 Ų | 122.3 | 49% | 0.486 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.5 | -43.5 | 175 | -72.4 | 176.4 | -22.2 | 0 | 0 | 112.9 | K208 R209 H210 M214 E215 E216 | K208-Q212 VanDerWaalsContact O-CG 3.31Å; K208-Q212 WeakPolarHBondContact O-CG 3.49Å; K208-Q212 PolarHBondContact O-N 2.9Å; R209-Q212 PolarHBondContact O-N 2.97Å; H210-Q212 VanDerWaalsContact C-N 3.35Å; H210-Q212 PolarHBondContact O-N 3.47Å; Q212-M214 VanDerWaalsContact C-N 3.31Å; Q212-M214 PolarHBondContact O-N 2.84Å; Q212-E215 PolarHBondContact O-N 3.44Å; Q212-E216 WeakPolarHBondContact O-CB 3.41Å; Q212-E216 PolarHBondContact O-N 3.47Å |
| 213 | E | 88.7 | Confident | 79.9 | Confident | 100 Ų | 100 | 124.8 Ų | 124.8 | 47% | 0.467 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.2 | -35.5 | 177.5 | -178 | 176.6 | -167.3 | 0 | 0 | 111.5 | R209 H210 E216 N217 | R209-E213 WeakPolarHBondContact O-CB 3.38Å; R209-E213 PolarHBondContact O-N 2.88Å; H210-E213 PolarHBondContact O-N 3.25Å; E213-E216 PolarHBondContact O-N 3.25Å; E213-N217 VanDerWaalsContact CG-ND2 3.3Å; E213-N217 WeakPolarHBondContact CG-ND2 3.45Å; E213-N217 WeakPolarHBondContact O-CB 3.48Å; E213-N217 PolarHBondContact O-N 2.87Å; E213-N217 PolarHBondContact O-ND2 3.47Å |
| 214 | M | 86.6 | Confident | 77.4 | Confident | 102 Ų | 102 | 130 Ų | 130 | 50% | 0.502 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -68 | -36.7 | 173.5 | -72.2 | -61.7 | -64.9 | 0 | 0 | 111.7 | H210 E211 Q212 H218 | H210-M214 WeakPolarHBondContact O-CB 3.33Å; H210-M214 WeakPolarHBondContact O-CG 3.42Å; H210-M214 PolarHBondContact O-N 3.37Å; E211-M214 PolarHBondContact O-N 3.47Å; Q212-M214 VanDerWaalsContact C-N 3.31Å; Q212-M214 PolarHBondContact O-N 2.84Å; M214-H218 VanDerWaalsContact O-CB 3.3Å; M214-H218 WeakPolarHBondContact O-CB 3.45Å; M214-H218 PolarHBondContact O-N 3.45Å; M214-H218 VanDerWaalsContact O-N 3.11Å |
| 215 | E | 85.1 | Confident | 74.7 | Confident | 140 Ų | 140 | 128.6 Ų | 128.6 | 65% | 0.654 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67.1 | -41.2 | 171.7 | -76.1 | -178.8 | 165.5 | 0 | 0 | 112.1 | E211 Q212 H218 | E211-E215 WeakPolarHBondContact O-CG 3.4Å; E211-E215 PolarHBondContact O-N 3.26Å; Q212-E215 PolarHBondContact O-N 3.44Å; E215-H218 WeakPolarHBondContact O-CB 3.32Å; E215-H218 PolarHBondContact O-N 2.91Å |
| 216 | E | 81.9 | Confident | 72.3 | Confident | 165 Ų | 165 | 128.7 Ų | 128.7 | 77% | 0.771 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -72.1 | -40.7 | -179.4 | -171.1 | 172.4 | -165.8 | 0 | 0 | 112.4 | Q212 E213 H218 | Q212-E216 WeakPolarHBondContact O-CB 3.41Å; Q212-E216 PolarHBondContact O-N 3.47Å; E213-E216 PolarHBondContact O-N 3.25Å; E216-H218 PolarHBondContact O-N 2.86Å |
| 217 | N | 70.1 | Confident | 69.9 | Low | 104 Ų | 104 | 128.5 Ų | 128.5 | 56% | 0.556 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -80.4 | -2.3 | 174.5 | -72 | -41.7 | 0 | 0 | 0 | 113.3 | E213 L219 | E213-N217 VanDerWaalsContact CG-ND2 3.3Å; E213-N217 WeakPolarHBondContact CG-ND2 3.45Å; E213-N217 WeakPolarHBondContact O-CB 3.48Å; E213-N217 PolarHBondContact O-N 2.87Å; E213-N217 PolarHBondContact O-ND2 3.47Å; N217-L219 PolarHBondContact O-N 2.85Å |
| 218 | H | 62 | Low | 67.6 | Low | 147 Ų | 147 | 131.6 Ų | 131.6 | 68% | 0.681 | 66% | 0.657 | S | S | * | * | trans | -72 | 59.7 | 169.5 | -137 | -72.6 | 0 | 0 | 0 | 110.7 | M214 E215 E216 | M214-H218 VanDerWaalsContact O-CB 3.3Å; M214-H218 WeakPolarHBondContact O-CB 3.45Å; M214-H218 PolarHBondContact O-N 3.45Å; M214-H218 VanDerWaalsContact O-N 3.11Å; E215-H218 WeakPolarHBondContact O-CB 3.32Å; E215-H218 PolarHBondContact O-N 2.91Å; E216-H218 PolarHBondContact O-N 2.86Å | ||
| 219 | L | 60.2 | Low | 65.2 | Low | 139 Ų | 139 | 131 Ų | 131 | 73% | 0.728 | 66% | 0.663 | S | S | * | * | trans | -54.6 | 135 | 160.1 | -84.9 | 153.8 | 0 | 0 | 0 | 108 | N217 S221 | N217-L219 PolarHBondContact O-N 2.85Å; L219-S221 PolarHBondContact O-N 3.13Å | ||
| 220 | P | 50.7 | Low | 62.5 | Low | 105 Ų | 105 | 132 Ų | 132 | 68% | 0.682 | 68% | 0.679 | S | S | * | * | trans | -52.5 | 113.5 | 173.6 | -25.3 | 33.4 | 0 | 0 | 0 | 109.5 | D222 | P220-D222 PolarHBondContact O-N 3.42Š| ||
| 221 | S | 50.9 | Low | 59.9 | Low | 116 Ų | 116 | 132.2 Ų | 132.2 | 81% | 0.811 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -68.7 | 64.3 | 169.9 | 165.7 | 0 | 0 | 0 | 0 | 109.2 | L219 | L219-S221 PolarHBondContact O-N 3.13Š|
| 222 | D | 43.3 | Very low | 57.7 | Low | 150 Ų | 150 | 132.4 Ų | 132.4 | 80% | 0.802 | 70% | 0.699 | S | S | * | * | trans | -140.3 | 29.5 | 176.8 | -97.9 | -9.8 | 0 | 0 | 0 | 111.1 | P220 | P220-D222 PolarHBondContact O-N 3.42Š| ||
| 223 | F | 45.6 | Very low | 56 | Low | 181 Ų | 181 | 134 Ų | 134 | 79% | 0.794 | 72% | 0.718 | S | S | * | * | trans | -116.2 | 69.2 | 169.4 | -133.6 | -115.9 | 0 | 0 | 0 | 111.4 | V225 | F223-V225 HydrophobicContact CD1-CB 3.98Å; F223-V225 HydrophobicContact CD1-CG2 3.23Å; F223-V225 HydrophobicContact CD2-CG2 4.39Å; F223-V225 HydrophobicContact CE1-CB 4.09Å; F223-V225 HydrophobicContact CE1-CG2 3.09Å; F223-V225 HydrophobicContact CE2-CG2 4.26Å; F223-V225 HydrophobicContact CG-CG2 3.92Å; F223-V225 HydrophobicContact CZ-CG2 3.63Å; F223-V225 PolarHBondContact O-N 3.27Å | ||
| 224 | K | 45.8 | Very low | 54.1 | Low | 209 Ų | 209 | 132.3 Ų | 132.3 | 91% | 0.909 | 73% | 0.727 | S | S | * | * | trans | -74.2 | 80.5 | 162.7 | -164.5 | 179.6 | -172.6 | -179.3 | 0 | 108.4 | ||||
| 225 | V | 38.9 | Very low | 53.1 | Low | 80 Ų | 80 | 136.3 Ų | 136.3 | 49% | 0.485 | 75% | 0.745 | S | S | . | * | trans | -95.9 | 101.6 | 173.9 | 167.6 | 0 | 0 | 0 | 0 | 110.5 | F223 V227 | F223-V225 HydrophobicContact CD1-CB 3.98Å; F223-V225 HydrophobicContact CD1-CG2 3.23Å; F223-V225 HydrophobicContact CD2-CG2 4.39Å; F223-V225 HydrophobicContact CE1-CB 4.09Å; F223-V225 HydrophobicContact CE1-CG2 3.09Å; F223-V225 HydrophobicContact CE2-CG2 4.26Å; F223-V225 HydrophobicContact CG-CG2 3.92Å; F223-V225 HydrophobicContact CZ-CG2 3.63Å; F223-V225 PolarHBondContact O-N 3.27Å; V225-V227 HydrophobicContact CG1-CB 4.34Å; V225-V227 HydrophobicContact CG1-CG2 3.2Å; V225-V227 PolarHBondContact O-N 2.93Å | ||
| 226 | S | 46.7 | Very low | 52.1 | Low | 111 Ų | 111 | 134.1 Ų | 134.1 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | -82.5 | 97 | 160.3 | 57.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 227 | V | 46.6 | Very low | 51.6 | Low | 107 Ų | 107 | 131.8 Ų | 131.8 | 65% | 0.648 | 73% | 0.73 | S | S | * | * | trans | -92 | 106.6 | 169.1 | 172.4 | 0 | 0 | 0 | 0 | 108.2 | V225 V229 | V225-V227 HydrophobicContact CG1-CB 4.34Å; V225-V227 HydrophobicContact CG1-CG2 3.2Å; V225-V227 PolarHBondContact O-N 2.93Å; V227-V229 HydrophobicContact CG1-CB 4.29Å; V227-V229 HydrophobicContact CG1-CG2 3.44Å; V227-V229 VanDerWaalsContact CG1-CG2 3.44Å | ||
| 228 | K | 47.3 | Very low | 52 | Low | 204 Ų | 204 | 133.4 Ų | 133.4 | 89% | 0.887 | 74% | 0.737 | S | S | * | * | trans | -88.8 | 112.2 | 158.8 | -74.8 | -178.2 | 175.7 | -178.7 | 0 | 106.9 | ||||
| 229 | V | 47 | Very low | 52.9 | Low | 106 Ų | 106 | 132.4 Ų | 132.4 | 64% | 0.642 | 73% | 0.731 | S | S | * | * | trans | -124.9 | 103.7 | 167.9 | 171.2 | 0 | 0 | 0 | 0 | 107.1 | V227 T231 | V227-V229 HydrophobicContact CG1-CB 4.29Å; V227-V229 HydrophobicContact CG1-CG2 3.44Å; V227-V229 VanDerWaalsContact CG1-CG2 3.44Å; V229-T231 HydrophobicContact CG1-CG2 4.4Å | ||
| 230 | D | 39 | Very low | 53.9 | Low | 166 Ų | 166 | 129.7 Ų | 129.7 | 89% | 0.888 | 72% | 0.72 | S | S | * | * | trans | -81.4 | 117.4 | 162 | -80.2 | -39.7 | 0 | 0 | 0 | 108 | ||||
| 231 | T | 38.5 | Very low | 55.5 | Low | 116 Ų | 116 | 129 Ų | 129 | 71% | 0.712 | 71% | 0.71 | S | S | * | * | trans | -141.4 | 109.9 | 160.2 | 39.2 | 0 | 0 | 0 | 0 | 109.8 | V229 | V229-T231 HydrophobicContact CG1-CG2 4.4Š| ||
| 232 | T | 46.5 | Very low | 57.2 | Low | 129 Ų | 129 | 127.2 Ų | 127.2 | 79% | 0.791 | 69% | 0.689 | S | S | * | * | trans | 7.1 | 148.5 | 149.4 | 46.6 | 0 | 0 | 0 | 0 | 121.4 | G234 | T232-G234 PolarHBondContact O-N 3.43Š| ||
| 233 | P | 54.8 | Low | 59.3 | Low | 136 Ų | 136 | 124.4 Ų | 124.4 | 88% | 0.883 | 67% | 0.673 | S | S | * | * | trans | -73.9 | 110 | -158.6 | 30.8 | -33.8 | 0 | 0 | 0 | 113.1 | ||||
| 234 | G | 49.6 | Very low | 61.3 | Low | 65 Ų | 65 | 119.9 Ų | 119.9 | 67% | 0.67 | 66% | 0.656 | S | S | * | * | trans | -101.9 | 136.9 | 157.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | T232 | T232-G234 PolarHBondContact O-N 3.43Š| ||
| 235 | E | 65.3 | Low | 63.4 | Low | 186 Ų | 186 | 116.9 Ų | 116.9 | 87% | 0.869 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -0.8 | 126 | 172 | -66.8 | 169.3 | 172.7 | 0 | 0 | 116 | L237 | E235-L237 WeakPolarHBondContact O-CA 3.44Å; E235-L237 PolarHBondContact O-N 3.34Å |
| 236 | D | 63.6 | Low | 65.8 | Low | 94 Ų | 94 | 117.5 Ų | 117.5 | 50% | 0.503 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -35.5 | 78.9 | -179.8 | -77.8 | -23.4 | 0 | 0 | 0 | 113.2 | I238 K239 V240 | D236-I238 PolarHBondContact O-N 2.92Å; D236-I238 VanDerWaalsContact O-N 3.13Å; D236-K239 HydrophobicContact CB-CB 3.94Å; D236-K239 HydrophobicContact CB-CD 3.91Å; D236-K239 HydrophobicContact CB-CG 3.91Å; D236-K239 WeakPolarHBondContact O-CA 3.42Å; D236-K239 WeakPolarHBondContact O-CB 3.36Å; D236-K239 PolarHBondContact O-N 3.41Å; D236-K239 WeakPolarHBondContact OD2-CD 3.33Å; D236-K239 WeakPolarHBondContact OD2-CE 3.39Å; D236-K239 IonicContact OD2-NZ 2.76Å; D236-K239 PolarHBondContact OD2-NZ 2.94Å; D236-V240 PolarHBondContact O-N 3.32Å |
| 237 | L | 71 | Confident | 67.9 | Low | 117 Ų | 117 | 118.3 Ų | 118.3 | 61% | 0.613 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -62.1 | -28.1 | 179.6 | -172.4 | 71.9 | 0 | 0 | 0 | 109 | E235 K239 V240 L241 | E235-L237 WeakPolarHBondContact O-CA 3.44Å; E235-L237 PolarHBondContact O-N 3.34Å; L237-K239 VanDerWaalsContact C-N 3.33Å; L237-K239 PolarHBondContact O-N 2.92Å; L237-V240 PolarHBondContact O-N 3.25Å; L237-L241 HydrophobicContact CD2-CD1 4.2Å; L237-L241 HydrophobicContact CG-CD1 3.86Å; L237-L241 HydrophobicContact CG-CG 4.22Å; L237-L241 WeakPolarHBondContact O-CB 3.39Å; L237-L241 WeakPolarHBondContact O-CD1 3.33Å; L237-L241 WeakPolarHBondContact O-CG 3.49Å; L237-L241 PolarHBondContact O-N 2.91Å |
| 238 | I | 78.5 | Confident | 70.1 | Confident | 137 Ų | 137 | 120.4 Ų | 120.4 | 70% | 0.703 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -59.4 | -41.5 | 172 | -60 | 169.9 | 0 | 0 | 0 | 110.9 | D236 E242 | D236-I238 PolarHBondContact O-N 2.92Å; D236-I238 VanDerWaalsContact O-N 3.13Å; I238-E242 WeakPolarHBondContact O-CB 3.31Å; I238-E242 PolarHBondContact O-N 3.19Å |
| 239 | K | 80.4 | Confident | 72.2 | Confident | 127 Ų | 127 | 114.1 Ų | 114.1 | 55% | 0.552 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -70.9 | -43.9 | 176.3 | -76.6 | -179.2 | -179.3 | 146.3 | 0 | 111.9 | D236 L237 L241 E242 D243 | D236-K239 HydrophobicContact CB-CB 3.94Å; D236-K239 HydrophobicContact CB-CD 3.91Å; D236-K239 HydrophobicContact CB-CG 3.91Å; D236-K239 WeakPolarHBondContact O-CA 3.42Å; D236-K239 WeakPolarHBondContact O-CB 3.36Å; D236-K239 PolarHBondContact O-N 3.41Å; D236-K239 WeakPolarHBondContact OD2-CD 3.33Å; D236-K239 WeakPolarHBondContact OD2-CE 3.39Å; D236-K239 IonicContact OD2-NZ 2.76Å; D236-K239 PolarHBondContact OD2-NZ 2.94Å; L237-K239 VanDerWaalsContact C-N 3.33Å; L237-K239 PolarHBondContact O-N 2.92Å; K239-L241 VanDerWaalsContact C-N 3.35Å; K239-L241 PolarHBondContact O-N 2.89Å; K239-E242 PolarHBondContact O-N 3.45Å; K239-D243 WeakPolarHBondContact O-CB 3.33Å; K239-D243 VanDerWaalsContact O-CG 3.24Å; K239-D243 PolarHBondContact O-N 3.5Å |
| 240 | V | 82.8 | Confident | 74.5 | Confident | 82 Ų | 82 | 114.5 Ų | 114.5 | 50% | 0.497 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.7 | -39.9 | 177.7 | 178 | 0 | 0 | 0 | 0 | 111.5 | D236 L237 M244 | D236-V240 PolarHBondContact O-N 3.32Å; L237-V240 PolarHBondContact O-N 3.25Å; V240-M244 WeakPolarHBondContact O-CB 3.31Å; V240-M244 WeakPolarHBondContact O-CG 3.32Å; V240-M244 PolarHBondContact O-N 3.48Å |
| 241 | L | 82.6 | Confident | 77.1 | Confident | 89 Ų | 89 | 111 Ų | 111 | 47% | 0.466 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.1 | -37 | 174.4 | -73.8 | 168.7 | 0 | 0 | 0 | 111.9 | L237 K239 M244 R245 | L237-L241 HydrophobicContact CD2-CD1 4.2Å; L237-L241 HydrophobicContact CG-CD1 3.86Å; L237-L241 HydrophobicContact CG-CG 4.22Å; L237-L241 WeakPolarHBondContact O-CB 3.39Å; L237-L241 WeakPolarHBondContact O-CD1 3.33Å; L237-L241 WeakPolarHBondContact O-CG 3.49Å; L237-L241 PolarHBondContact O-N 2.91Å; K239-L241 VanDerWaalsContact C-N 3.35Å; K239-L241 PolarHBondContact O-N 2.89Å; L241-M244 HydrophobicContact CD2-CE 3.74Å; L241-R245 VanDerWaalsContact O-CB 3.26Å; L241-R245 WeakPolarHBondContact O-CB 3.36Å; L241-R245 PolarHBondContact O-N 3.42Å |
| 242 | E | 87.4 | Confident | 79.6 | Confident | 80 Ų | 80 | 110.9 Ų | 110.9 | 37% | 0.374 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.7 | -41.8 | 176.2 | -172.5 | 59.9 | -152.3 | 0 | 0 | 111.5 | I238 K239 R245 Q246 | I238-E242 WeakPolarHBondContact O-CB 3.31Å; I238-E242 PolarHBondContact O-N 3.19Å; K239-E242 PolarHBondContact O-N 3.45Å; E242-R245 WeakPolarHBondContact O-CB 3.34Å; E242-R245 PolarHBondContact O-N 3.44Å; E242-Q246 VanDerWaalsContact O-CG 3.28Å; E242-Q246 WeakPolarHBondContact O-CG 3.44Å; E242-Q246 PolarHBondContact O-N 3.46Å; E242-Q246 PolarHBondContact OE1-NE2 2.9Å |
| 243 | D | 87.5 | Confident | 81.8 | Confident | 90 Ų | 90 | 110.3 Ų | 110.3 | 48% | 0.481 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.8 | -45.6 | 174.8 | -69.6 | -17.9 | 0 | 0 | 0 | 110.8 | K239 R245 Q246 E247 | K239-D243 WeakPolarHBondContact O-CB 3.33Å; K239-D243 VanDerWaalsContact O-CG 3.24Å; K239-D243 PolarHBondContact O-N 3.5Å; D243-R245 VanDerWaalsContact C-N 3.31Å; D243-R245 PolarHBondContact O-N 2.99Å; D243-Q246 PolarHBondContact O-N 3.04Å; D243-E247 WeakPolarHBondContact O-CG 3.42Å; D243-E247 PolarHBondContact O-N 2.97Å |
| 244 | M | 86.6 | Confident | 83.7 | Confident | 87 Ų | 87 | 109.9 Ų | 109.9 | 43% | 0.429 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.1 | -41.2 | 173.1 | -76.3 | -160 | -51.2 | 0 | 0 | 111.8 | V240 L241 Q246 E247 Y248 | V240-M244 WeakPolarHBondContact O-CB 3.31Å; V240-M244 WeakPolarHBondContact O-CG 3.32Å; V240-M244 PolarHBondContact O-N 3.48Å; L241-M244 HydrophobicContact CD2-CE 3.74Å; M244-Q246 VanDerWaalsContact C-N 3.34Å; M244-Q246 PolarHBondContact O-N 3.05Å; M244-E247 PolarHBondContact O-N 2.89Å; M244-Y248 WeakPolarHBondContact O-CD2 3.44Å; M244-Y248 PolarHBondContact O-N 3.39Å |
| 245 | R | 90 | Very high | 85.8 | Confident | 145 Ų | 145 | 112.2 Ų | 112.2 | 55% | 0.547 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 176.6 | -178.5 | -176 | 173.5 | 171.6 | 3.7 | 111.1 | L241 E242 D243 E247 Y248 E249 | L241-R245 VanDerWaalsContact O-CB 3.26Å; L241-R245 WeakPolarHBondContact O-CB 3.36Å; L241-R245 PolarHBondContact O-N 3.42Å; E242-R245 WeakPolarHBondContact O-CB 3.34Å; E242-R245 PolarHBondContact O-N 3.44Å; D243-R245 VanDerWaalsContact C-N 3.31Å; D243-R245 PolarHBondContact O-N 2.99Å; R245-E247 VanDerWaalsContact C-N 3.35Å; R245-Y248 PolarHBondContact O-N 2.9Å; R245-E249 HydrophobicContact CG-CG 4.49Å; R245-E249 IonicContact CZ-OE1 3.47Å; R245-E249 IonicContact NE-OE1 3.85Å; R245-E249 PolarHBondContact NE-OE1 2.98Å; R245-E249 IonicContact NH2-OE1 2.77Å; R245-E249 WeakPolarHBondContact O-CB 3.31Å; R245-E249 WeakPolarHBondContact O-CG 3.49Å; R245-E249 PolarHBondContact O-N 3.35Å |
| 246 | Q | 90.9 | Very high | 87.1 | Confident | 94 Ų | 94 | 109 Ų | 109 | 44% | 0.439 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 176.9 | -72.7 | 175.2 | 20.6 | 0 | 0 | 111.7 | E242 D243 M244 E249 L250 | E242-Q246 VanDerWaalsContact O-CG 3.28Å; E242-Q246 WeakPolarHBondContact O-CG 3.44Å; E242-Q246 PolarHBondContact O-N 3.46Å; E242-Q246 PolarHBondContact OE1-NE2 2.9Å; D243-Q246 PolarHBondContact O-N 3.04Å; M244-Q246 VanDerWaalsContact C-N 3.34Å; M244-Q246 PolarHBondContact O-N 3.05Å; Q246-E249 PolarHBondContact O-N 3.31Å; Q246-L250 WeakPolarHBondContact O-CB 3.36Å; Q246-L250 VanDerWaalsContact O-CG 3.28Å; Q246-L250 WeakPolarHBondContact O-CG 3.49Å; Q246-L250 PolarHBondContact O-N 2.84Å |
| 247 | E | 91.1 | Very high | 88.6 | Confident | 127 Ų | 127 | 110.5 Ų | 110.5 | 59% | 0.593 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.2 | -45.3 | 173.6 | -72.4 | -171.3 | 170.2 | 0 | 0 | 112.2 | D243 M244 R245 L250 I251 | D243-E247 WeakPolarHBondContact O-CG 3.42Å; D243-E247 PolarHBondContact O-N 2.97Å; M244-E247 PolarHBondContact O-N 2.89Å; R245-E247 VanDerWaalsContact C-N 3.35Å; E247-L250 PolarHBondContact O-N 3.39Å; E247-I251 VanDerWaalsContact O-CG1 3.28Å; E247-I251 WeakPolarHBondContact O-CG1 3.39Å; E247-I251 PolarHBondContact O-N 3.38Å |
| 248 | Y | 91.7 | Very high | 89.7 | Confident | 152 Ų | 152 | 108.5 Ų | 108.5 | 60% | 0.596 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.9 | -41.6 | 175.6 | -80.9 | -67.5 | 0 | 0 | 0 | 112.3 | M244 R245 L250 I251 I252 | M244-Y248 WeakPolarHBondContact O-CD2 3.44Å; M244-Y248 PolarHBondContact O-N 3.39Å; R245-Y248 PolarHBondContact O-N 2.9Å; Y248-L250 VanDerWaalsContact C-N 3.29Å; Y248-L250 PolarHBondContact O-N 3.4Å; Y248-I251 PolarHBondContact O-N 3.04Å; Y248-I252 WeakPolarHBondContact O-CB 3.34Å; Y248-I252 WeakPolarHBondContact O-CD1 3.45Å; Y248-I252 WeakPolarHBondContact O-CG1 3.31Å; Y248-I252 PolarHBondContact O-N 3.47Å |
| 249 | E | 91.5 | Very high | 90.4 | Very high | 71 Ų | 71 | 107 Ų | 107 | 33% | 0.332 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.3 | -38 | 175.2 | -78 | -173.8 | -164.8 | 0 | 0 | 111.7 | R245 Q246 K253 | R245-E249 HydrophobicContact CG-CG 4.49Å; R245-E249 IonicContact CZ-OE1 3.47Å; R245-E249 IonicContact NE-OE1 3.85Å; R245-E249 PolarHBondContact NE-OE1 2.98Å; R245-E249 IonicContact NH2-OE1 2.77Å; R245-E249 WeakPolarHBondContact O-CB 3.31Å; R245-E249 WeakPolarHBondContact O-CG 3.49Å; R245-E249 PolarHBondContact O-N 3.35Å; Q246-E249 PolarHBondContact O-N 3.31Å; E249-K253 VanDerWaalsContact O-CB 3.32Å; E249-K253 WeakPolarHBondContact O-CB 3.38Å; E249-K253 WeakPolarHBondContact O-CD 3.4Å; E249-K253 WeakPolarHBondContact O-CG 3.41Å; E249-K253 PolarHBondContact O-N 3.14Å; E249-K253 IonicContact OE2-NZ 3.6Å |
| 250 | L | 94.9 | Very high | 91 | Very high | 114 Ų | 114 | 104 Ų | 104 | 60% | 0.597 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.9 | -43.6 | 173.9 | -77.6 | 168.8 | 0 | 0 | 0 | 111.9 | Q246 E247 Y248 K253 K254 | Q246-L250 WeakPolarHBondContact O-CB 3.36Å; Q246-L250 VanDerWaalsContact O-CG 3.28Å; Q246-L250 WeakPolarHBondContact O-CG 3.49Å; Q246-L250 PolarHBondContact O-N 2.84Å; E247-L250 PolarHBondContact O-N 3.39Å; Y248-L250 VanDerWaalsContact C-N 3.29Å; Y248-L250 PolarHBondContact O-N 3.4Å; L250-K253 PolarHBondContact O-N 3.03Å; L250-K254 VanDerWaalsContact O-CB 3.3Å; L250-K254 WeakPolarHBondContact O-CB 3.42Å; L250-K254 PolarHBondContact O-N 2.9Å |
| 251 | I | 93 | Very high | 91.5 | Very high | 93 Ų | 93 | 103.2 Ų | 103.2 | 48% | 0.477 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63 | -45.2 | 176.7 | -68.7 | 164.4 | 0 | 0 | 0 | 110.5 | E247 Y248 K254 K255 | E247-I251 VanDerWaalsContact O-CG1 3.28Å; E247-I251 WeakPolarHBondContact O-CG1 3.39Å; E247-I251 PolarHBondContact O-N 3.38Å; Y248-I251 PolarHBondContact O-N 3.04Å; I251-K254 PolarHBondContact O-N 3.15Å; I251-K255 HydrophobicContact CG2-CG 4.25Å; I251-K255 WeakPolarHBondContact O-CB 3.41Å; I251-K255 VanDerWaalsContact O-CG 3.23Å; I251-K255 WeakPolarHBondContact O-CG 3.35Å; I251-K255 PolarHBondContact O-N 2.94Å |
| 252 | I | 91.1 | Very high | 92.1 | Very high | 114 Ų | 114 | 106.2 Ų | 106.2 | 59% | 0.585 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.5 | -46.3 | 178.2 | -68.5 | 164.2 | 0 | 0 | 0 | 110.3 | Y248 K254 K255 H256 | Y248-I252 WeakPolarHBondContact O-CB 3.34Å; Y248-I252 WeakPolarHBondContact O-CD1 3.45Å; Y248-I252 WeakPolarHBondContact O-CG1 3.31Å; Y248-I252 PolarHBondContact O-N 3.47Å; I252-K254 PolarHBondContact O-N 3.24Å; I252-K255 PolarHBondContact O-N 3.46Å; I252-H256 WeakPolarHBondContact O-CB 3.47Å; I252-H256 PolarHBondContact O-N 3.27Å |
| 253 | K | 94 | Very high | 92.4 | Very high | 117 Ų | 117 | 109 Ų | 109 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 176.4 | -76.6 | 168.5 | -176.2 | 162.8 | 0 | 111.6 | E249 L250 H256 Q257 | E249-K253 VanDerWaalsContact O-CB 3.32Å; E249-K253 WeakPolarHBondContact O-CB 3.38Å; E249-K253 WeakPolarHBondContact O-CD 3.4Å; E249-K253 WeakPolarHBondContact O-CG 3.41Å; E249-K253 PolarHBondContact O-N 3.14Å; E249-K253 IonicContact OE2-NZ 3.6Å; L250-K253 PolarHBondContact O-N 3.03Å; K253-H256 PolarHBondContact O-N 3.25Å; K253-Q257 WeakPolarHBondContact O-CG 3.38Å; K253-Q257 PolarHBondContact O-N 3.47Å |
| 254 | K | 94.4 | Very high | 92.6 | Very high | 127 Ų | 127 | 112.9 Ų | 112.9 | 55% | 0.552 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.8 | -43.4 | 177.2 | -171 | 179.5 | 179.9 | -177.7 | 0 | 111.5 | L250 I251 I252 H256 Q257 E258 | L250-K254 VanDerWaalsContact O-CB 3.3Å; L250-K254 WeakPolarHBondContact O-CB 3.42Å; L250-K254 PolarHBondContact O-N 2.9Å; I251-K254 PolarHBondContact O-N 3.15Å; I252-K254 PolarHBondContact O-N 3.24Å; K254-H256 VanDerWaalsContact C-N 3.35Å; K254-H256 PolarHBondContact O-N 3Å; K254-Q257 PolarHBondContact O-N 2.92Å; K254-E258 WeakPolarHBondContact CE-OE1 3.43Å; K254-E258 WeakPolarHBondContact O-CB 3.28Å; K254-E258 VanDerWaalsContact O-CG 3.31Å; K254-E258 WeakPolarHBondContact O-CG 3.37Å; K254-E258 PolarHBondContact O-N 3.45Å |
| 255 | K | 92.7 | Very high | 92.9 | Very high | 114 Ų | 114 | 115.1 Ų | 115.1 | 50% | 0.496 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 176.8 | -73.5 | -72.9 | 163.1 | -152.4 | 0 | 112.4 | I251 I252 E258 L259 | I251-K255 HydrophobicContact CG2-CG 4.25Å; I251-K255 WeakPolarHBondContact O-CB 3.41Å; I251-K255 VanDerWaalsContact O-CG 3.23Å; I251-K255 WeakPolarHBondContact O-CG 3.35Å; I251-K255 PolarHBondContact O-N 2.94Å; I252-K255 PolarHBondContact O-N 3.46Å; K255-E258 IonicContact NZ-OE2 3.24Å; K255-E258 PolarHBondContact NZ-OE2 2.78Å; K255-E258 PolarHBondContact O-N 2.97Å; K255-L259 WeakPolarHBondContact O-CB 3.31Å; K255-L259 VanDerWaalsContact O-CG 3.29Å; K255-L259 WeakPolarHBondContact O-CG 3.43Å; K255-L259 PolarHBondContact O-N 2.88Å |
| 256 | H | 93.6 | Very high | 93 | Very high | 117 Ų | 117 | 113 Ų | 113 | 54% | 0.542 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 175 | -163.2 | 65.4 | 0 | 0 | 0 | 111.3 | I252 K253 K254 L259 D260 | I252-H256 WeakPolarHBondContact O-CB 3.47Å; I252-H256 PolarHBondContact O-N 3.27Å; K253-H256 PolarHBondContact O-N 3.25Å; K254-H256 VanDerWaalsContact C-N 3.35Å; K254-H256 PolarHBondContact O-N 3Å; H256-L259 PolarHBondContact O-N 3.43Å; H256-D260 IonicContact CD2-OD2 3.61Å; H256-D260 IonicContact NE2-OD2 3.75Å; H256-D260 WeakPolarHBondContact O-CB 3.46Å; H256-D260 PolarHBondContact O-N 2.91Å |
| 257 | Q | 94.8 | Very high | 92.7 | Very high | 127 Ų | 127 | 111.1 Ų | 111.1 | 59% | 0.593 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.9 | -43.8 | 174.2 | -72.4 | 174.7 | -5.5 | 0 | 0 | 112.4 | K253 K254 D260 T261 | K253-Q257 WeakPolarHBondContact O-CG 3.38Å; K253-Q257 PolarHBondContact O-N 3.47Å; K254-Q257 PolarHBondContact O-N 2.92Å; Q257-D260 PolarHBondContact O-N 2.89Å; Q257-T261 WeakPolarHBondContact O-CG2 3.48Å; Q257-T261 PolarHBondContact O-N 2.87Å; Q257-T261 PolarHBondContact O-OG1 3.31Å |
| 258 | E | 94.3 | Very high | 92.6 | Very high | 74 Ų | 74 | 107.8 Ų | 107.8 | 35% | 0.346 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 176.2 | -75.8 | 171.2 | -171.5 | 0 | 0 | 111.7 | K254 K255 T261 W262 | K254-E258 WeakPolarHBondContact CE-OE1 3.43Å; K254-E258 WeakPolarHBondContact O-CB 3.28Å; K254-E258 VanDerWaalsContact O-CG 3.31Å; K254-E258 WeakPolarHBondContact O-CG 3.37Å; K254-E258 PolarHBondContact O-N 3.45Å; K255-E258 IonicContact NZ-OE2 3.24Å; K255-E258 PolarHBondContact NZ-OE2 2.78Å; K255-E258 PolarHBondContact O-N 2.97Å; E258-T261 VanDerWaalsContact CA-OG1 3.31Å; E258-T261 WeakPolarHBondContact CA-OG1 2.84Å; E258-T261 PolarHBondContact O-N 3.07Å; E258-T261 PolarHBondContact O-OG1 2.91Å; E258-W262 VanDerWaalsContact O-CB 3.27Å; E258-W262 WeakPolarHBondContact O-CB 3.45Å; E258-W262 PolarHBondContact O-N 2.9Å |
| 259 | L | 93.3 | Very high | 92.2 | Very high | 107 Ų | 107 | 102.8 Ų | 102.8 | 56% | 0.56 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.6 | -42.8 | 175.3 | -75.4 | 170.9 | 0 | 0 | 0 | 111.9 | K255 H256 W262 F263 | K255-L259 WeakPolarHBondContact O-CB 3.31Å; K255-L259 VanDerWaalsContact O-CG 3.29Å; K255-L259 WeakPolarHBondContact O-CG 3.43Å; K255-L259 PolarHBondContact O-N 2.88Å; H256-L259 PolarHBondContact O-N 3.43Å; L259-W262 PolarHBondContact O-N 2.9Å; L259-F263 VanDerWaalsContact O-CB 3.32Å; L259-F263 WeakPolarHBondContact O-CB 3.41Å; L259-F263 PolarHBondContact O-N 3.31Å |
| 260 | D | 92.3 | Very high | 91.7 | Very high | 62 Ų | 62 | 105.2 Ų | 105.2 | 33% | 0.332 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 176.4 | -78.9 | -15.1 | 0 | 0 | 0 | 111.3 | H256 Q257 R264 | H256-D260 IonicContact CD2-OD2 3.61Å; H256-D260 IonicContact NE2-OD2 3.75Å; H256-D260 WeakPolarHBondContact O-CB 3.46Å; H256-D260 PolarHBondContact O-N 2.91Å; Q257-D260 PolarHBondContact O-N 2.89Å; D260-R264 WeakPolarHBondContact O-CB 3.22Å; D260-R264 WeakPolarHBondContact O-CG 3.32Å; D260-R264 PolarHBondContact O-N 2.95Å |
| 261 | T | 93.5 | Very high | 91 | Very high | 67 Ų | 67 | 102.4 Ų | 102.4 | 41% | 0.411 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.1 | -43.5 | 175.2 | 48.8 | 0 | 0 | 0 | 0 | 111.3 | Q257 E258 F263 R264 E265 | Q257-T261 WeakPolarHBondContact O-CG2 3.48Å; Q257-T261 PolarHBondContact O-N 2.87Å; Q257-T261 PolarHBondContact O-OG1 3.31Å; E258-T261 VanDerWaalsContact CA-OG1 3.31Å; E258-T261 WeakPolarHBondContact CA-OG1 2.84Å; E258-T261 PolarHBondContact O-N 3.07Å; E258-T261 PolarHBondContact O-OG1 2.91Å; T261-F263 PolarHBondContact O-N 3.4Å; T261-R264 PolarHBondContact O-N 3.38Å; T261-E265 WeakPolarHBondContact O-CB 3.49Å; T261-E265 VanDerWaalsContact O-CG 3.31Å; T261-E265 WeakPolarHBondContact O-CG 3.36Å; T261-E265 PolarHBondContact O-N 3.45Å |
| 262 | W | 94.6 | Very high | 90.2 | Very high | 151 Ų | 151 | 105 Ų | 105 | 57% | 0.572 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.6 | -42.8 | 177.9 | -178.6 | 83.4 | 0 | 0 | 0 | 111.8 | E258 L259 E265 Q266 | E258-W262 VanDerWaalsContact O-CB 3.27Å; E258-W262 WeakPolarHBondContact O-CB 3.45Å; E258-W262 PolarHBondContact O-N 2.9Å; L259-W262 PolarHBondContact O-N 2.9Å; W262-E265 PolarHBondContact O-N 3.33Å; W262-Q266 VanDerWaalsContact O-CB 3.31Å; W262-Q266 WeakPolarHBondContact O-CB 3.49Å; W262-Q266 PolarHBondContact O-N 2.88Å |
| 263 | F | 93.6 | Very high | 89.2 | Confident | 139 Ų | 139 | 107.3 Ų | 107.3 | 61% | 0.61 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.9 | -39.9 | 176.4 | -171.4 | -93.5 | 0 | 0 | 0 | 111.6 | L259 T261 S267 | L259-F263 VanDerWaalsContact O-CB 3.32Å; L259-F263 WeakPolarHBondContact O-CB 3.41Å; L259-F263 PolarHBondContact O-N 3.31Å; T261-F263 PolarHBondContact O-N 3.4Å; F263-S267 WeakPolarHBondContact O-CB 3.47Å; F263-S267 PolarHBondContact O-N 2.87Å; F263-S267 PolarHBondContact O-OG 3.45Å |
| 264 | R | 92.8 | Very high | 87.9 | Confident | 172 Ų | 172 | 107 Ų | 107 | 65% | 0.649 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.7 | -43.6 | 173.8 | -75.7 | 175.1 | -168 | 174.1 | 7.7 | 111.9 | D260 T261 S267 A268 | D260-R264 WeakPolarHBondContact O-CB 3.22Å; D260-R264 WeakPolarHBondContact O-CG 3.32Å; D260-R264 PolarHBondContact O-N 2.95Å; T261-R264 PolarHBondContact O-N 3.38Å; R264-S267 WeakPolarHBondContact CA-OG 3.16Å; R264-S267 PolarHBondContact O-OG 3.42Å; R264-A268 WeakPolarHBondContact O-CB 3.35Å; R264-A268 PolarHBondContact O-N 2.9Å |
| 265 | E | 93.4 | Very high | 86.5 | Confident | 133 Ų | 133 | 104.6 Ų | 104.6 | 62% | 0.621 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.2 | -45.8 | 176.4 | -74.6 | 171.8 | -172 | 0 | 0 | 111.6 | T261 W262 A268 A269 | T261-E265 WeakPolarHBondContact O-CB 3.49Å; T261-E265 VanDerWaalsContact O-CG 3.31Å; T261-E265 WeakPolarHBondContact O-CG 3.36Å; T261-E265 PolarHBondContact O-N 3.45Å; W262-E265 PolarHBondContact O-N 3.33Å; E265-A268 PolarHBondContact O-N 2.96Å; E265-A269 WeakPolarHBondContact O-CB 3.3Å; E265-A269 PolarHBondContact O-N 3.2Å |
| 266 | Q | 91.3 | Very high | 85.1 | Confident | 101 Ų | 101 | 102.4 Ų | 102.4 | 47% | 0.472 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.8 | -43 | 178.5 | -171.2 | 65.9 | 18.9 | 0 | 0 | 111.9 | W262 A269 M270 | W262-Q266 VanDerWaalsContact O-CB 3.31Å; W262-Q266 WeakPolarHBondContact O-CB 3.49Å; W262-Q266 PolarHBondContact O-N 2.88Å; Q266-A269 PolarHBondContact O-N 3.16Å; Q266-M270 VanDerWaalsContact O-CB 3.27Å; Q266-M270 WeakPolarHBondContact O-CB 3.42Å; Q266-M270 PolarHBondContact O-N 2.78Å |
| 267 | S | 85.6 | Confident | 83.5 | Confident | 54 Ų | 54 | 99.8 Ų | 99.8 | 38% | 0.378 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.8 | -34.8 | 176.1 | 61 | 0 | 0 | 0 | 0 | 112 | F263 R264 A271 | F263-S267 WeakPolarHBondContact O-CB 3.47Å; F263-S267 PolarHBondContact O-N 2.87Å; F263-S267 PolarHBondContact O-OG 3.45Å; R264-S267 WeakPolarHBondContact CA-OG 3.16Å; R264-S267 PolarHBondContact O-OG 3.42Å; S267-A271 WeakPolarHBondContact O-CB 3.41Å; S267-A271 PolarHBondContact O-N 3.5Å |
| 268 | A | 87.6 | Confident | 82 | Confident | 57 Ų | 57 | 97.2 Ų | 97.2 | 47% | 0.471 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.7 | -41.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R264 E265 A271 Q272 | R264-A268 WeakPolarHBondContact O-CB 3.35Å; R264-A268 PolarHBondContact O-N 2.9Å; E265-A268 PolarHBondContact O-N 2.96Å; A268-A271 PolarHBondContact O-N 3.24Å; A268-Q272 VanDerWaalsContact O-CB 3.31Å; A268-Q272 WeakPolarHBondContact O-CB 3.41Å; A268-Q272 PolarHBondContact O-N 2.91Å |
| 269 | A | 84.4 | Confident | 80.6 | Confident | 47 Ų | 47 | 97.2 Ų | 97.2 | 39% | 0.388 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.9 | -45.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | E265 Q266 Q272 E273 | E265-A269 WeakPolarHBondContact O-CB 3.3Å; E265-A269 PolarHBondContact O-N 3.2Å; Q266-A269 PolarHBondContact O-N 3.16Å; A269-Q272 PolarHBondContact O-N 3.41Å; A269-E273 PolarHBondContact O-N 3.37Å |
| 270 | M | 80.5 | Confident | 79.7 | Confident | 122 Ų | 122 | 96.2 Ų | 96.2 | 60% | 0.601 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.7 | -39.8 | 175.7 | -167.1 | 170.8 | -171.8 | 0 | 0 | 111.6 | Q266 Q272 E273 V274 | Q266-M270 VanDerWaalsContact O-CB 3.27Å; Q266-M270 WeakPolarHBondContact O-CB 3.42Å; Q266-M270 PolarHBondContact O-N 2.78Å; M270-Q272 VanDerWaalsContact C-N 3.31Å; M270-Q272 PolarHBondContact O-N 2.99Å; M270-E273 PolarHBondContact O-N 3.48Å; M270-V274 WeakPolarHBondContact O-CB 3.49Å; M270-V274 VanDerWaalsContact O-CG2 3.23Å; M270-V274 WeakPolarHBondContact O-CG2 3.25Å; M270-V274 PolarHBondContact O-N 3.2Å |
| 271 | A | 80.2 | Confident | 78.9 | Confident | 56 Ų | 56 | 99.2 Ų | 99.2 | 46% | 0.463 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.9 | -34.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S267 A268 A275 | S267-A271 WeakPolarHBondContact O-CB 3.41Å; S267-A271 PolarHBondContact O-N 3.5Å; A268-A271 PolarHBondContact O-N 3.24Å; A271-A275 WeakPolarHBondContact O-CA 3.27Å; A271-A275 WeakPolarHBondContact O-CB 3.42Å; A271-A275 PolarHBondContact O-N 3.03Å |
| 272 | Q | 76.8 | Confident | 78.5 | Confident | 147 Ų | 147 | 97.2 Ų | 97.2 | 69% | 0.687 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -71.6 | -39.1 | 176.3 | -173.3 | 173.1 | 6 | 0 | 0 | 112.3 | A268 A269 M270 A275 S276 | A268-Q272 VanDerWaalsContact O-CB 3.31Å; A268-Q272 WeakPolarHBondContact O-CB 3.41Å; A268-Q272 PolarHBondContact O-N 2.91Å; A269-Q272 PolarHBondContact O-N 3.41Å; M270-Q272 VanDerWaalsContact C-N 3.31Å; M270-Q272 PolarHBondContact O-N 2.99Å; Q272-A275 PolarHBondContact O-N 2.87Å; Q272-S276 PolarHBondContact O-N 3.26Å |
| 273 | E | 69.2 | Low | 77.9 | Confident | 163 Ų | 163 | 94.7 Ų | 94.7 | 76% | 0.762 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.7 | -41.7 | 172 | -75.1 | -165.9 | 162.2 | 0 | 0 | 111.7 | A269 M270 S276 | A269-E273 PolarHBondContact O-N 3.37Å; M270-E273 PolarHBondContact O-N 3.48Å; E273-S276 PolarHBondContact O-N 2.82Å |
| 274 | V | 67.1 | Low | 77.7 | Confident | 111 Ų | 111 | 93.3 Ų | 93.3 | 67% | 0.673 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -70.6 | -32.2 | 175.5 | 173.7 | 0 | 0 | 0 | 0 | 111.9 | M270 S276 | M270-V274 WeakPolarHBondContact O-CB 3.49Å; M270-V274 VanDerWaalsContact O-CG2 3.23Å; M270-V274 WeakPolarHBondContact O-CG2 3.25Å; M270-V274 PolarHBondContact O-N 3.2Å; V274-S276 PolarHBondContact O-N 2.88Å |
| 275 | A | 65.3 | Low | 77.7 | Confident | 75 Ų | 75 | 87.5 Ų | 87.5 | 62% | 0.62 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | 5.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A271 Q272 P277 | A271-A275 WeakPolarHBondContact O-CA 3.27Å; A271-A275 WeakPolarHBondContact O-CB 3.42Å; A271-A275 PolarHBondContact O-N 3.03Å; Q272-A275 PolarHBondContact O-N 2.87Å; A275-P277 WeakPolarHBondContact O-CD 3.09Å |
| 276 | S | 62.2 | Low | 77.7 | Confident | 69 Ų | 69 | 85.3 Ų | 85.3 | 48% | 0.483 | 51% | 0.51 | S | S | . | . | trans | -101.1 | 70.4 | 166 | -166.1 | 0 | 0 | 0 | 0 | 111.1 | Q272 E273 V274 A278 P279 | Q272-S276 PolarHBondContact O-N 3.26Å; E273-S276 PolarHBondContact O-N 2.82Å; V274-S276 PolarHBondContact O-N 2.88Å; S276-A278 PolarHBondContact O-N 3.39Å; S276-P279 WeakPolarHBondContact O-CD 3.49Å | ||
| 277 | P | 60.8 | Low | 77.9 | Confident | 61 Ų | 61 | 84.7 Ų | 84.7 | 40% | 0.396 | 51% | 0.509 | S | S | . | . | trans | -77.5 | -7.7 | -179.9 | 33.5 | -37.7 | 0 | 0 | 0 | 113.4 | A275 V280 Q281 | A275-P277 WeakPolarHBondContact O-CD 3.09Å; P277-V280 PolarHBondContact O-N 2.93Å; P277-V280 VanDerWaalsContact O-N 3.14Å; P277-Q281 HydrophobicContact CB-CG 4.4Å; P277-Q281 PolarHBondContact O-N 2.96Å | ||
| 278 | A | 62.8 | Low | 78.4 | Confident | 73 Ų | 73 | 86.5 Ų | 86.5 | 60% | 0.603 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -53.9 | -48.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S276 G282 | S276-A278 PolarHBondContact O-N 3.39Å; A278-G282 PolarHBondContact O-N 3.15Å |
| 279 | P | 65.9 | Low | 78.8 | Confident | 75 Ų | 75 | 89.2 Ų | 89.2 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.3 | -31.1 | 178.3 | 26.6 | -33.5 | 0 | 0 | 0 | 113 | S276 N283 | S276-P279 WeakPolarHBondContact O-CD 3.49Å; P279-N283 WeakPolarHBondContact O-CB 3.2Å; P279-N283 PolarHBondContact O-N 3.32Å; P279-N283 VanDerWaalsContact O-N 3.08Å; P279-N283 PolarHBondContact O-ND2 3.46Å; P279-N283 PolarHBondContact O-OD1 2.88Å |
| 280 | V | 73.3 | Confident | 79.4 | Confident | 85 Ų | 85 | 93 Ų | 93 | 52% | 0.515 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -74.3 | -39.4 | -178.9 | -179.5 | 0 | 0 | 0 | 0 | 111.2 | P277 N283 Q284 | P277-V280 PolarHBondContact O-N 2.93Å; P277-V280 VanDerWaalsContact O-N 3.14Å; V280-N283 PolarHBondContact O-N 3.39Å; V280-Q284 WeakPolarHBondContact O-CG 3.35Å; V280-Q284 PolarHBondContact O-N 3.37Å |
| 281 | Q | 76.8 | Confident | 80.2 | Confident | 126 Ų | 126 | 94.6 Ų | 94.6 | 59% | 0.589 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.9 | -39 | 175.5 | -72.7 | -173.4 | -1.3 | 0 | 0 | 112.1 | P277 Q284 S285 | P277-Q281 HydrophobicContact CB-CG 4.4Å; P277-Q281 PolarHBondContact O-N 2.96Å; Q281-Q284 PolarHBondContact O-N 2.86Å; Q281-S285 PolarHBondContact O-N 3.17Å; Q281-S285 PolarHBondContact O-OG 3.07Å |
| 282 | G | 83.6 | Confident | 81.1 | Confident | 25 Ų | 25 | 99.5 Ų | 99.5 | 26% | 0.258 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.5 | -48 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | A278 Q284 S285 D286 | A278-G282 PolarHBondContact O-N 3.15Å; G282-Q284 VanDerWaalsContact C-N 3.29Å; G282-Q284 PolarHBondContact O-N 3.36Å; G282-S285 WeakPolarHBondContact CA-OG 3.42Å; G282-S285 PolarHBondContact O-N 3.05Å; G282-S285 PolarHBondContact O-OG 3.21Å; G282-D286 WeakPolarHBondContact O-CB 3.03Å; G282-D286 PolarHBondContact O-N 3.49Å |
| 283 | N | 83.5 | Confident | 82.1 | Confident | 98 Ų | 98 | 96.1 Ų | 96.1 | 52% | 0.524 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.4 | -36.1 | 176.5 | -66 | -11.4 | 0 | 0 | 0 | 112.3 | P279 V280 I287 | P279-N283 WeakPolarHBondContact O-CB 3.2Å; P279-N283 PolarHBondContact O-N 3.32Å; P279-N283 VanDerWaalsContact O-N 3.08Å; P279-N283 PolarHBondContact O-ND2 3.46Å; P279-N283 PolarHBondContact O-OD1 2.88Å; V280-N283 PolarHBondContact O-N 3.39Å; N283-I287 WeakPolarHBondContact O-CD1 3.49Å; N283-I287 WeakPolarHBondContact O-CG1 3.37Å; N283-I287 PolarHBondContact O-N 3.48Å |
| 284 | Q | 89.3 | Confident | 83.4 | Confident | 109 Ų | 109 | 94.6 Ų | 94.6 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.3 | -44.4 | 174.5 | -78.9 | -175.8 | 0.3 | 0 | 0 | 112.3 | V280 Q281 G282 D286 I287 H288 | V280-Q284 WeakPolarHBondContact O-CG 3.35Å; V280-Q284 PolarHBondContact O-N 3.37Å; Q281-Q284 PolarHBondContact O-N 2.86Å; G282-Q284 VanDerWaalsContact C-N 3.29Å; G282-Q284 PolarHBondContact O-N 3.36Å; Q284-D286 VanDerWaalsContact C-N 3.3Å; Q284-D286 PolarHBondContact O-N 3.01Å; Q284-I287 PolarHBondContact O-N 2.97Å; Q284-H288 PolarHBondContact O-CD2 3.3Å; Q284-H288 PolarHBondContact O-N 3.11Å |
| 285 | S | 91.7 | Very high | 84.9 | Confident | 51 Ų | 51 | 95 Ų | 95 | 36% | 0.357 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.7 | -42 | 175.3 | 52.4 | 0 | 0 | 0 | 0 | 111.4 | Q281 G282 I287 H288 E289 | Q281-S285 PolarHBondContact O-N 3.17Å; Q281-S285 PolarHBondContact O-OG 3.07Å; G282-S285 WeakPolarHBondContact CA-OG 3.42Å; G282-S285 PolarHBondContact O-N 3.05Å; G282-S285 PolarHBondContact O-OG 3.21Å; S285-I287 PolarHBondContact O-N 3.09Å; S285-H288 WeakPolarHBondContact O-CB 3.38Å; S285-H288 PolarHBondContact O-N 2.88Å; S285-H288 VanDerWaalsContact O-N 3.13Å; S285-E289 WeakPolarHBondContact O-CG 3.38Å; S285-E289 PolarHBondContact O-N 2.96Å |
| 286 | D | 93.8 | Very high | 86.4 | Confident | 87 Ų | 87 | 93.8 Ų | 93.8 | 47% | 0.465 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 178.4 | -66.2 | -4.6 | 0 | 0 | 0 | 111.1 | G282 Q284 H288 E289 L290 | G282-D286 WeakPolarHBondContact O-CB 3.03Å; G282-D286 PolarHBondContact O-N 3.49Å; Q284-D286 VanDerWaalsContact C-N 3.3Å; Q284-D286 PolarHBondContact O-N 3.01Å; D286-H288 VanDerWaalsContact C-N 3.33Å; D286-H288 PolarHBondContact O-N 3.05Å; D286-E289 PolarHBondContact O-N 3.34Å; D286-L290 WeakPolarHBondContact O-CB 3.44Å; D286-L290 PolarHBondContact O-N 2.9Å |
| 287 | I | 95 | Very high | 88.1 | Confident | 88 Ų | 88 | 96 Ų | 96 | 45% | 0.451 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 174 | -70.4 | 163.9 | 0 | 0 | 0 | 111.1 | N283 Q284 S285 L290 R291 | N283-I287 WeakPolarHBondContact O-CD1 3.49Å; N283-I287 WeakPolarHBondContact O-CG1 3.37Å; N283-I287 PolarHBondContact O-N 3.48Å; Q284-I287 PolarHBondContact O-N 2.97Å; S285-I287 PolarHBondContact O-N 3.09Å; I287-L290 PolarHBondContact O-N 3.38Å; I287-R291 WeakPolarHBondContact O-CB 3.42Å; I287-R291 VanDerWaalsContact O-CG 3.32Å; I287-R291 WeakPolarHBondContact O-CG 3.37Å; I287-R291 PolarHBondContact O-N 2.9Å |
| 288 | H | 96.1 | Very high | 89.8 | Confident | 92 Ų | 92 | 98.5 Ų | 98.5 | 43% | 0.426 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67 | -40 | 177.2 | -75.9 | -63 | 0 | 0 | 0 | 112.2 | Q284 S285 D286 R291 R292 | Q284-H288 PolarHBondContact O-CD2 3.3Å; Q284-H288 PolarHBondContact O-N 3.11Å; S285-H288 WeakPolarHBondContact O-CB 3.38Å; S285-H288 PolarHBondContact O-N 2.88Å; S285-H288 VanDerWaalsContact O-N 3.13Å; D286-H288 VanDerWaalsContact C-N 3.33Å; D286-H288 PolarHBondContact O-N 3.05Å; H288-R291 PolarHBondContact O-N 3.3Å; H288-R292 WeakPolarHBondContact O-CG 3.38Å; H288-R292 PolarHBondContact O-N 2.99Å |
| 289 | E | 96.9 | Very high | 91.4 | Very high | 113 Ų | 113 | 100.6 Ų | 100.6 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 173.8 | -73.8 | -177.9 | -170.5 | 0 | 0 | 111.5 | S285 D286 R291 R292 T293 | S285-E289 WeakPolarHBondContact O-CG 3.38Å; S285-E289 PolarHBondContact O-N 2.96Å; D286-E289 PolarHBondContact O-N 3.34Å; E289-R291 VanDerWaalsContact C-N 3.3Å; E289-R291 PolarHBondContact O-N 2.81Å; E289-R292 PolarHBondContact O-N 2.9Å; E289-R292 VanDerWaalsContact O-N 3.14Å; E289-T293 WeakPolarHBondContact O-CG2 3.48Å; E289-T293 PolarHBondContact O-N 3.2Å; E289-T293 PolarHBondContact O-OG1 3.03Å |
| 290 | L | 97.3 | Very high | 92.9 | Very high | 126 Ų | 126 | 101.6 Ų | 101.6 | 66% | 0.66 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.9 | -39.6 | 175.3 | -126 | 73.1 | 0 | 0 | 0 | 112.2 | D286 I287 T293 F294 | D286-L290 WeakPolarHBondContact O-CB 3.44Å; D286-L290 PolarHBondContact O-N 2.9Å; I287-L290 PolarHBondContact O-N 3.38Å; L290-T293 WeakPolarHBondContact CA-OG1 3.17Å; L290-T293 PolarHBondContact O-OG1 3.34Å; L290-F294 WeakPolarHBondContact O-CB 3.4Å; L290-F294 PolarHBondContact O-N 2.89Å |
| 291 | R | 97.4 | Very high | 94 | Very high | 156 Ų | 156 | 103.3 Ų | 103.3 | 59% | 0.589 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.9 | -41.1 | 175.1 | -77.3 | 177.6 | 178.5 | 177 | 1.2 | 111.9 | I287 H288 E289 Q295 | I287-R291 WeakPolarHBondContact O-CB 3.42Å; I287-R291 VanDerWaalsContact O-CG 3.32Å; I287-R291 WeakPolarHBondContact O-CG 3.37Å; I287-R291 PolarHBondContact O-N 2.9Å; H288-R291 PolarHBondContact O-N 3.3Å; E289-R291 VanDerWaalsContact C-N 3.3Å; E289-R291 PolarHBondContact O-N 2.81Å; R291-Q295 WeakPolarHBondContact O-CB 3.36Å; R291-Q295 WeakPolarHBondContact O-CG 3.42Å; R291-Q295 PolarHBondContact O-N 3.43Å |
| 292 | R | 97.4 | Very high | 94.9 | Very high | 159 Ų | 159 | 103.1 Ų | 103.1 | 60% | 0.6 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.9 | -44 | 176 | -72.8 | -174.8 | -159.7 | 109.1 | -1.1 | 111.6 | H288 E289 Q295 A296 | H288-R292 WeakPolarHBondContact O-CG 3.38Å; H288-R292 PolarHBondContact O-N 2.99Å; E289-R292 PolarHBondContact O-N 2.9Å; E289-R292 VanDerWaalsContact O-N 3.14Å; R292-Q295 PolarHBondContact O-N 3.24Å; R292-A296 WeakPolarHBondContact O-CB 3.42Å; R292-A296 PolarHBondContact O-N 3.16Å |
| 293 | T | 97.7 | Very high | 95.4 | Very high | 76 Ų | 76 | 104.1 Ų | 104.1 | 47% | 0.466 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.3 | -38.9 | 178.1 | 57.2 | 0 | 0 | 0 | 0 | 111.5 | E289 L290 A296 L297 | E289-T293 WeakPolarHBondContact O-CG2 3.48Å; E289-T293 PolarHBondContact O-N 3.2Å; E289-T293 PolarHBondContact O-OG1 3.03Å; L290-T293 WeakPolarHBondContact CA-OG1 3.17Å; L290-T293 PolarHBondContact O-OG1 3.34Å; T293-A296 PolarHBondContact O-N 3.32Å; T293-L297 WeakPolarHBondContact O-CB 3.47Å; T293-L297 WeakPolarHBondContact O-CG 3.35Å; T293-L297 PolarHBondContact O-N 3.46Å |
| 294 | F | 97.7 | Very high | 96 | Very high | 132 Ų | 132 | 105.3 Ų | 105.3 | 58% | 0.579 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.6 | -50.1 | 173.4 | -178.9 | -92.2 | 0 | 0 | 0 | 111.8 | L290 A296 L297 E298 | L290-F294 WeakPolarHBondContact O-CB 3.4Å; L290-F294 PolarHBondContact O-N 2.89Å; F294-A296 VanDerWaalsContact C-N 3.33Å; F294-A296 PolarHBondContact O-N 3.45Å; F294-L297 PolarHBondContact O-N 3.43Å; F294-E298 WeakPolarHBondContact CE1-OE2 3.44Å; F294-E298 WeakPolarHBondContact O-CB 3.39Å; F294-E298 PolarHBondContact O-N 3.16Å |
| 295 | Q | 97.8 | Very high | 96.2 | Very high | 118 Ų | 118 | 104.9 Ų | 104.9 | 55% | 0.551 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.8 | -40.3 | 177.2 | -73.8 | 175.6 | -4.4 | 0 | 0 | 112.2 | R291 R292 E298 I299 | R291-Q295 WeakPolarHBondContact O-CB 3.36Å; R291-Q295 WeakPolarHBondContact O-CG 3.42Å; R291-Q295 PolarHBondContact O-N 3.43Å; R292-Q295 PolarHBondContact O-N 3.24Å; Q295-E298 PolarHBondContact O-N 2.95Å; Q295-I299 VanDerWaalsContact O-CG1 3.29Å; Q295-I299 WeakPolarHBondContact O-CG1 3.21Å; Q295-I299 PolarHBondContact O-N 3.37Å |
| 296 | A | 97.4 | Very high | 96.3 | Very high | 50 Ų | 50 | 105.8 Ų | 105.8 | 41% | 0.413 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R292 T293 F294 E298 I299 D300 | R292-A296 WeakPolarHBondContact O-CB 3.42Å; R292-A296 PolarHBondContact O-N 3.16Å; T293-A296 PolarHBondContact O-N 3.32Å; F294-A296 VanDerWaalsContact C-N 3.33Å; F294-A296 PolarHBondContact O-N 3.45Å; A296-E298 VanDerWaalsContact C-N 3.33Å; A296-E298 PolarHBondContact O-N 2.92Å; A296-I299 PolarHBondContact O-N 3.39Å; A296-D300 WeakPolarHBondContact O-CB 3.46Å; A296-D300 PolarHBondContact O-N 3.09Å |
| 297 | L | 97.1 | Very high | 96.4 | Very high | 115 Ų | 115 | 109 Ų | 109 | 60% | 0.602 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65 | -35.3 | 176 | -75.1 | 170.1 | 0 | 0 | 0 | 112.6 | T293 F294 D300 L301 | T293-L297 WeakPolarHBondContact O-CB 3.47Å; T293-L297 WeakPolarHBondContact O-CG 3.35Å; T293-L297 PolarHBondContact O-N 3.46Å; F294-L297 PolarHBondContact O-N 3.43Å; L297-D300 PolarHBondContact O-N 3.39Å; L297-L301 VanDerWaalsContact O-CB 3.31Å; L297-L301 WeakPolarHBondContact O-CB 3.39Å; L297-L301 PolarHBondContact O-N 3.48Å |
| 298 | E | 96.7 | Very high | 96.4 | Very high | 114 Ų | 114 | 110.1 Ų | 110.1 | 53% | 0.533 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.7 | -41.6 | 176.1 | -170.9 | 168.6 | -159.5 | 0 | 0 | 111.7 | F294 Q295 A296 L301 Q302 | F294-E298 WeakPolarHBondContact CE1-OE2 3.44Å; F294-E298 WeakPolarHBondContact O-CB 3.39Å; F294-E298 PolarHBondContact O-N 3.16Å; Q295-E298 PolarHBondContact O-N 2.95Å; A296-E298 VanDerWaalsContact C-N 3.33Å; A296-E298 PolarHBondContact O-N 2.92Å; E298-L301 PolarHBondContact O-N 3.31Å; E298-Q302 WeakPolarHBondContact O-CB 3.49Å; E298-Q302 PolarHBondContact O-N 2.88Å |
| 299 | I | 97.3 | Very high | 96.3 | Very high | 117 Ų | 117 | 108.1 Ų | 108.1 | 60% | 0.6 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.1 | -45.1 | 172.5 | -67.6 | 165 | 0 | 0 | 0 | 110.5 | Q295 A296 L301 Q302 A303 | Q295-I299 VanDerWaalsContact O-CG1 3.29Å; Q295-I299 WeakPolarHBondContact O-CG1 3.21Å; Q295-I299 PolarHBondContact O-N 3.37Å; A296-I299 PolarHBondContact O-N 3.39Å; I299-L301 VanDerWaalsContact C-N 3.33Å; I299-L301 PolarHBondContact O-N 3.28Å; I299-Q302 PolarHBondContact O-N 3.33Å; I299-A303 WeakPolarHBondContact O-CB 3.41Å; I299-A303 PolarHBondContact O-N 3.24Å |
| 300 | D | 97.1 | Very high | 96.1 | Very high | 96 Ų | 96 | 105 Ų | 105 | 51% | 0.513 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 177 | -81.2 | -14.2 | 0 | 0 | 0 | 111.3 | A296 L297 Q302 A303 Q304 | A296-D300 WeakPolarHBondContact O-CB 3.46Å; A296-D300 PolarHBondContact O-N 3.09Å; L297-D300 PolarHBondContact O-N 3.39Å; D300-Q302 VanDerWaalsContact C-N 3.35Å; D300-Q302 PolarHBondContact O-N 2.94Å; D300-A303 PolarHBondContact O-N 2.88Å; D300-Q304 WeakPolarHBondContact O-CG 3.3Å; D300-Q304 PolarHBondContact O-N 3.11Å |
| 301 | L | 95.5 | Very high | 96 | Very high | 121 Ų | 121 | 103.2 Ų | 103.2 | 63% | 0.634 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.8 | -46.3 | 175.4 | -173.3 | 155.8 | 0 | 0 | 0 | 110.7 | L297 E298 I299 A303 Q304 H305 | L297-L301 VanDerWaalsContact O-CB 3.31Å; L297-L301 WeakPolarHBondContact O-CB 3.39Å; L297-L301 PolarHBondContact O-N 3.48Å; E298-L301 PolarHBondContact O-N 3.31Å; I299-L301 VanDerWaalsContact C-N 3.33Å; I299-L301 PolarHBondContact O-N 3.28Å; L301-A303 VanDerWaalsContact C-N 3.33Å; L301-A303 PolarHBondContact O-N 3.46Å; L301-Q304 PolarHBondContact O-N 3.3Å; L301-H305 PolarHBondContact O-N 3.15Å |
| 302 | Q | 96.6 | Very high | 95.8 | Very high | 122 Ų | 122 | 100 Ų | 100 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.4 | -38.2 | 177.4 | -173.7 | 65.4 | -7.1 | 0 | 0 | 112.1 | E298 I299 D300 H305 S306 | E298-Q302 WeakPolarHBondContact O-CB 3.49Å; E298-Q302 PolarHBondContact O-N 2.88Å; I299-Q302 PolarHBondContact O-N 3.33Å; D300-Q302 VanDerWaalsContact C-N 3.35Å; D300-Q302 PolarHBondContact O-N 2.94Å; Q302-H305 PolarHBondContact O-N 2.87Å; Q302-S306 PolarHBondContact O-N 3.38Å; Q302-S306 PolarHBondContact O-OG 3.02Å |
| 303 | A | 95.1 | Very high | 95.5 | Very high | 47 Ų | 47 | 97.4 Ų | 97.4 | 39% | 0.388 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I299 D300 L301 S306 R307 | I299-A303 WeakPolarHBondContact O-CB 3.41Å; I299-A303 PolarHBondContact O-N 3.24Å; D300-A303 PolarHBondContact O-N 2.88Å; L301-A303 VanDerWaalsContact C-N 3.33Å; L301-A303 PolarHBondContact O-N 3.46Å; A303-S306 PolarHBondContact O-OG 2.96Å; A303-R307 VanDerWaalsContact O-CB 3.32Å; A303-R307 WeakPolarHBondContact O-CB 3.31Å; A303-R307 PolarHBondContact O-N 3.42Å |
| 304 | Q | 95.3 | Very high | 95.3 | Very high | 122 Ų | 122 | 98.6 Ų | 98.6 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.7 | -35.9 | 173.3 | -67.4 | -54.5 | -30.5 | 0 | 0 | 111.7 | D300 L301 R307 K308 | D300-Q304 WeakPolarHBondContact O-CG 3.3Å; D300-Q304 PolarHBondContact O-N 3.11Å; L301-Q304 PolarHBondContact O-N 3.3Å; Q304-R307 PolarHBondContact O-N 2.91Å; Q304-K308 WeakPolarHBondContact O-CB 3.02Å; Q304-K308 PolarHBondContact O-N 2.88Å |
| 305 | H | 93.9 | Very high | 95.1 | Very high | 101 Ų | 101 | 95.9 Ų | 95.9 | 47% | 0.468 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.8 | -42.9 | 176.1 | -160.6 | 62 | 0 | 0 | 0 | 111.9 | L301 Q302 K308 T309 | L301-H305 PolarHBondContact O-N 3.15Å; Q302-H305 PolarHBondContact O-N 2.87Å; H305-K308 PolarHBondContact O-N 3.1Å; H305-T309 WeakPolarHBondContact O-CG2 3.34Å; H305-T309 PolarHBondContact O-N 3.22Å; H305-T309 PolarHBondContact O-OG1 3.4Å; H305-T309 VanDerWaalsContact O-OG1 3.04Å |
| 306 | S | 94.1 | Very high | 94.8 | Very high | 69 Ų | 69 | 94 Ų | 94 | 48% | 0.483 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65 | -38.4 | 173.6 | 69.8 | 0 | 0 | 0 | 0 | 112.1 | Q302 A303 T309 A310 | Q302-S306 PolarHBondContact O-N 3.38Å; Q302-S306 PolarHBondContact O-OG 3.02Å; A303-S306 PolarHBondContact O-OG 2.96Å; S306-T309 WeakPolarHBondContact CA-OG1 3.43Å; S306-T309 PolarHBondContact O-OG1 2.87Å; S306-A310 WeakPolarHBondContact O-CB 3.27Å; S306-A310 PolarHBondContact O-N 3.03Å |
| 307 | R | 95.2 | Very high | 94.7 | Very high | 156 Ų | 156 | 96.5 Ų | 96.5 | 59% | 0.589 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63 | -44.2 | 172.9 | -176.5 | 179 | 179.2 | 83.2 | 1.4 | 112 | A303 Q304 A310 L311 | A303-R307 VanDerWaalsContact O-CB 3.32Å; A303-R307 WeakPolarHBondContact O-CB 3.31Å; A303-R307 PolarHBondContact O-N 3.42Å; Q304-R307 PolarHBondContact O-N 2.91Å; R307-A310 PolarHBondContact O-N 3.01Å; R307-L311 HydrophobicContact CG-CD1 4.1Å; R307-L311 VanDerWaalsContact O-CG 3.31Å; R307-L311 WeakPolarHBondContact O-CG 3.44Å; R307-L311 PolarHBondContact O-N 3.4Å |
| 308 | K | 94.9 | Very high | 94.5 | Very high | 110 Ų | 110 | 93 Ų | 93 | 48% | 0.478 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.5 | -51.2 | 178.2 | 177.8 | -175.9 | 168.1 | -176.3 | 0 | 110.8 | Q304 H305 A310 L311 E312 | Q304-K308 WeakPolarHBondContact O-CB 3.02Å; Q304-K308 PolarHBondContact O-N 2.88Å; H305-K308 PolarHBondContact O-N 3.1Å; K308-A310 VanDerWaalsContact C-N 3.33Å; K308-A310 PolarHBondContact O-N 3.36Å; K308-L311 PolarHBondContact O-N 3.13Å; K308-L311 VanDerWaalsContact O-N 3.14Å; K308-E312 WeakPolarHBondContact CE-OE1 3.27Å; K308-E312 HydrophobicContact CG-CG 4.45Å; K308-E312 IonicContact NZ-OE1 3.46Å; K308-E312 WeakPolarHBondContact O-CG 3.25Å; K308-E312 PolarHBondContact O-N 3.44Å |
| 309 | T | 92.8 | Very high | 94.3 | Very high | 51 Ų | 51 | 95 Ų | 95 | 31% | 0.313 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 179.3 | 50.4 | 0 | 0 | 0 | 0 | 111.7 | H305 S306 L311 E312 N313 | H305-T309 WeakPolarHBondContact O-CG2 3.34Å; H305-T309 PolarHBondContact O-N 3.22Å; H305-T309 PolarHBondContact O-OG1 3.4Å; H305-T309 VanDerWaalsContact O-OG1 3.04Å; S306-T309 WeakPolarHBondContact CA-OG1 3.43Å; S306-T309 PolarHBondContact O-OG1 2.87Å; T309-L311 PolarHBondContact O-N 2.64Å; T309-E312 PolarHBondContact O-N 3.03Å; T309-N313 WeakPolarHBondContact O-CB 3.47Å; T309-N313 PolarHBondContact O-N 3.06Å; T309-N313 PolarHBondContact O-ND2 3.33Å |
| 310 | A | 93.2 | Very high | 94 | Very high | 48 Ų | 48 | 92 Ų | 92 | 40% | 0.397 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S306 R307 K308 N313 M314 | S306-A310 WeakPolarHBondContact O-CB 3.27Å; S306-A310 PolarHBondContact O-N 3.03Å; R307-A310 PolarHBondContact O-N 3.01Å; K308-A310 VanDerWaalsContact C-N 3.33Å; K308-A310 PolarHBondContact O-N 3.36Å; A310-N313 PolarHBondContact O-N 3.32Å; A310-M314 WeakPolarHBondContact O-CG 3.48Å; A310-M314 PolarHBondContact O-N 2.85Å |
| 311 | L | 94.8 | Very high | 93.9 | Very high | 87 Ų | 87 | 94 Ų | 94 | 46% | 0.455 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67 | -40.9 | 176.3 | -73 | 168.6 | 0 | 0 | 0 | 112.3 | R307 K308 T309 N313 M314 L315 | R307-L311 HydrophobicContact CG-CD1 4.1Å; R307-L311 VanDerWaalsContact O-CG 3.31Å; R307-L311 WeakPolarHBondContact O-CG 3.44Å; R307-L311 PolarHBondContact O-N 3.4Å; K308-L311 PolarHBondContact O-N 3.13Å; K308-L311 VanDerWaalsContact O-N 3.14Å; T309-L311 PolarHBondContact O-N 2.64Å; L311-N313 VanDerWaalsContact C-N 3.34Å; L311-M314 HydrophobicContact CD2-CE 3.63Å; L311-M314 HydrophobicContact CG-CE 4.45Å; L311-M314 PolarHBondContact O-N 2.92Å; L311-L315 WeakPolarHBondContact O-CB 3.32Å; L311-L315 PolarHBondContact O-N 3.18Å |
| 312 | E | 93.9 | Very high | 93.9 | Very high | 90 Ų | 90 | 95.4 Ų | 95.4 | 42% | 0.421 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 175.2 | -72.9 | 173.4 | 161.4 | 0 | 0 | 111.3 | K308 T309 L315 T316 | K308-E312 WeakPolarHBondContact CE-OE1 3.27Å; K308-E312 HydrophobicContact CG-CG 4.45Å; K308-E312 IonicContact NZ-OE1 3.46Å; K308-E312 WeakPolarHBondContact O-CG 3.25Å; K308-E312 PolarHBondContact O-N 3.44Å; T309-E312 PolarHBondContact O-N 3.03Å; E312-L315 PolarHBondContact O-N 3Å; E312-T316 WeakPolarHBondContact O-CG2 3.49Å; E312-T316 PolarHBondContact O-N 3.29Å; E312-T316 PolarHBondContact O-OG1 3.48Å; E312-T316 VanDerWaalsContact O-OG1 3.07Å |
| 313 | N | 92.3 | Very high | 93.8 | Very high | 103 Ų | 103 | 93 Ų | 93 | 55% | 0.551 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.5 | -46.2 | 174.3 | -70.7 | -14.5 | 0 | 0 | 0 | 111.8 | T309 A310 L311 L315 T316 E317 | T309-N313 WeakPolarHBondContact O-CB 3.47Å; T309-N313 PolarHBondContact O-N 3.06Å; T309-N313 PolarHBondContact O-ND2 3.33Å; A310-N313 PolarHBondContact O-N 3.32Å; L311-N313 VanDerWaalsContact C-N 3.34Å; N313-L315 VanDerWaalsContact C-N 3.29Å; N313-L315 PolarHBondContact O-N 2.94Å; N313-T316 WeakPolarHBondContact CA-OG1 3.41Å; N313-T316 PolarHBondContact O-N 2.97Å; N313-T316 PolarHBondContact O-OG1 2.96Å; N313-E317 VanDerWaalsContact O-CB 3.31Å; N313-E317 WeakPolarHBondContact O-CB 3.29Å; N313-E317 PolarHBondContact O-N 2.95Å |
| 314 | M | 93.6 | Very high | 93.7 | Very high | 101 Ų | 101 | 94 Ų | 94 | 50% | 0.498 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.8 | -37 | 174.8 | -72.9 | -167.7 | -60 | 0 | 0 | 112.2 | A310 L311 T318 | A310-M314 WeakPolarHBondContact O-CG 3.48Å; A310-M314 PolarHBondContact O-N 2.85Å; L311-M314 HydrophobicContact CD2-CE 3.63Å; L311-M314 HydrophobicContact CG-CE 4.45Å; L311-M314 PolarHBondContact O-N 2.92Å; M314-T318 WeakPolarHBondContact O-CB 3.34Å; M314-T318 WeakPolarHBondContact O-CG2 3.31Å; M314-T318 PolarHBondContact O-N 3.34Å; M314-T318 PolarHBondContact O-OG1 3.08Å |
| 315 | L | 92.4 | Very high | 93.7 | Very high | 76 Ų | 76 | 95.7 Ų | 95.7 | 40% | 0.398 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 176.8 | -179.4 | 65.3 | 0 | 0 | 0 | 111.7 | L311 E312 N313 T318 R319 | L311-L315 WeakPolarHBondContact O-CB 3.32Å; L311-L315 PolarHBondContact O-N 3.18Å; E312-L315 PolarHBondContact O-N 3Å; N313-L315 VanDerWaalsContact C-N 3.29Å; N313-L315 PolarHBondContact O-N 2.94Å; L315-T318 WeakPolarHBondContact CA-OG1 3.4Å; L315-T318 PolarHBondContact O-OG1 3.38Å; L315-R319 WeakPolarHBondContact O-CB 3.42Å; L315-R319 WeakPolarHBondContact O-CD 3.34Å; L315-R319 WeakPolarHBondContact O-CG 3.35Å; L315-R319 PolarHBondContact O-N 3.43Å |
| 316 | T | 92.1 | Very high | 93.8 | Very high | 79 Ų | 79 | 96.5 Ų | 96.5 | 49% | 0.485 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.1 | -42 | 177.3 | 52 | 0 | 0 | 0 | 0 | 111.5 | E312 N313 R319 A320 | E312-T316 WeakPolarHBondContact O-CG2 3.49Å; E312-T316 PolarHBondContact O-N 3.29Å; E312-T316 PolarHBondContact O-OG1 3.48Å; E312-T316 VanDerWaalsContact O-OG1 3.07Å; N313-T316 WeakPolarHBondContact CA-OG1 3.41Å; N313-T316 PolarHBondContact O-N 2.97Å; N313-T316 PolarHBondContact O-OG1 2.96Å; T316-R319 PolarHBondContact O-N 2.97Å; T316-A320 WeakPolarHBondContact O-CB 3.38Å; T316-A320 PolarHBondContact O-N 3.18Å |
| 317 | E | 95.2 | Very high | 93.9 | Very high | 101 Ų | 101 | 98.7 Ų | 98.7 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 176.8 | -164.4 | -152.5 | 130 | 0 | 0 | 111.9 | N313 A320 R321 | N313-E317 VanDerWaalsContact O-CB 3.31Å; N313-E317 WeakPolarHBondContact O-CB 3.29Å; N313-E317 PolarHBondContact O-N 2.95Å; E317-A320 PolarHBondContact O-N 3.3Å; E317-R321 WeakPolarHBondContact O-CG 3.33Å; E317-R321 PolarHBondContact O-N 2.82Å; E317-R321 IonicContact OE1-CZ 2.88Å; E317-R321 VanDerWaalsContact OE1-CZ 3.24Å; E317-R321 IonicContact OE1-NE 3.32Å; E317-R321 PolarHBondContact OE1-NE 3.46Å; E317-R321 IonicContact OE1-NH2 3.75Å; E317-R321 PolarHBondContact OE1-NH2 3.46Å; E317-R321 IonicContact OE2-NH2 2.78Å |
| 318 | T | 92 | Very high | 93.9 | Very high | 42 Ų | 42 | 95.3 Ų | 95.3 | 26% | 0.258 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 176.1 | 50.6 | 0 | 0 | 0 | 0 | 111.7 | M314 L315 A320 R321 Y322 | M314-T318 WeakPolarHBondContact O-CB 3.34Å; M314-T318 WeakPolarHBondContact O-CG2 3.31Å; M314-T318 PolarHBondContact O-N 3.34Å; M314-T318 PolarHBondContact O-OG1 3.08Å; L315-T318 WeakPolarHBondContact CA-OG1 3.4Å; L315-T318 PolarHBondContact O-OG1 3.38Å; T318-A320 VanDerWaalsContact C-N 3.34Å; T318-A320 PolarHBondContact O-N 3.42Å; T318-R321 PolarHBondContact O-N 3.05Å; T318-Y322 WeakPolarHBondContact O-CD2 3.33Å; T318-Y322 PolarHBondContact O-N 3.17Å |
| 319 | R | 93.9 | Very high | 94 | Very high | 157 Ų | 157 | 94.7 Ų | 94.7 | 59% | 0.592 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -58.4 | -44.8 | 173.4 | -77 | 171.4 | 175.3 | 169.1 | -1.3 | 111.8 | L315 T316 Y322 S323 | L315-R319 WeakPolarHBondContact O-CB 3.42Å; L315-R319 WeakPolarHBondContact O-CD 3.34Å; L315-R319 WeakPolarHBondContact O-CG 3.35Å; L315-R319 PolarHBondContact O-N 3.43Å; T316-R319 PolarHBondContact O-N 2.97Å; R319-Y322 PolarHBondContact O-N 3.37Å; R319-S323 WeakPolarHBondContact O-CB 3.36Å; R319-S323 PolarHBondContact O-N 2.84Å |
| 320 | A | 90.1 | Very high | 94.2 | Very high | 54 Ų | 54 | 97.2 Ų | 97.2 | 45% | 0.446 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.6 | -47 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | T316 E317 T318 Y322 S323 C324 | T316-A320 WeakPolarHBondContact O-CB 3.38Å; T316-A320 PolarHBondContact O-N 3.18Å; E317-A320 PolarHBondContact O-N 3.3Å; T318-A320 VanDerWaalsContact C-N 3.34Å; T318-A320 PolarHBondContact O-N 3.42Å; A320-Y322 VanDerWaalsContact C-N 3.35Å; A320-Y322 PolarHBondContact O-N 2.92Å; A320-S323 WeakPolarHBondContact O-CB 3.39Å; A320-S323 PolarHBondContact O-N 3.34Å; A320-S323 VanDerWaalsContact O-N 3.15Å; A320-C324 PolarHBondContact O-N 3.33Å; A320-C324 PolarHBondContact O-SG 3.28Å; A320-C324 VanDerWaalsContact O-SG 3.39Å |
| 321 | R | 95.6 | Very high | 94.4 | Very high | 137 Ų | 137 | 100.3 Ų | 100.3 | 52% | 0.517 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.2 | -44.8 | 175.8 | -77.1 | -169.8 | -95 | 131.7 | -10.1 | 112.5 | E317 T318 R325 | E317-R321 WeakPolarHBondContact O-CG 3.33Å; E317-R321 PolarHBondContact O-N 2.82Å; E317-R321 IonicContact OE1-CZ 2.88Å; E317-R321 VanDerWaalsContact OE1-CZ 3.24Å; E317-R321 IonicContact OE1-NE 3.32Å; E317-R321 PolarHBondContact OE1-NE 3.46Å; E317-R321 IonicContact OE1-NH2 3.75Å; E317-R321 PolarHBondContact OE1-NH2 3.46Å; E317-R321 IonicContact OE2-NH2 2.78Å; T318-R321 PolarHBondContact O-N 3.05Å; R321-R325 PolarHBondContact O-N 3.37Å |
| 322 | Y | 94.8 | Very high | 94.6 | Very high | 151 Ų | 151 | 100.8 Ų | 100.8 | 59% | 0.592 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68.4 | -37.6 | 176.6 | -76.8 | -64.3 | 0 | 0 | 0 | 112.5 | T318 R319 A320 R325 L326 | T318-Y322 WeakPolarHBondContact O-CD2 3.33Å; T318-Y322 PolarHBondContact O-N 3.17Å; R319-Y322 PolarHBondContact O-N 3.37Å; A320-Y322 VanDerWaalsContact C-N 3.35Å; A320-Y322 PolarHBondContact O-N 2.92Å; Y322-R325 PolarHBondContact O-N 2.92Å; Y322-L326 WeakPolarHBondContact O-CB 3.49Å; Y322-L326 WeakPolarHBondContact O-CG 3.49Å; Y322-L326 PolarHBondContact O-N 3.03Å |
| 323 | S | 95.3 | Very high | 94.7 | Very high | 72 Ų | 72 | 100.4 Ų | 100.4 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 175.1 | -171 | 0 | 0 | 0 | 0 | 111.7 | R319 A320 L326 Q327 | R319-S323 WeakPolarHBondContact O-CB 3.36Å; R319-S323 PolarHBondContact O-N 2.84Å; A320-S323 WeakPolarHBondContact O-CB 3.39Å; A320-S323 PolarHBondContact O-N 3.34Å; A320-S323 VanDerWaalsContact O-N 3.15Å; S323-L326 PolarHBondContact O-N 3.43Å; S323-Q327 PolarHBondContact O-N 3.36Å |
| 324 | C | 92.4 | Very high | 95 | Very high | 68 Ų | 68 | 97.3 Ų | 97.3 | 46% | 0.459 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61 | -46.7 | 174.9 | -66.5 | 0 | 0 | 0 | 0 | 111.2 | A320 L326 Q327 D328 | A320-C324 PolarHBondContact O-N 3.33Å; A320-C324 PolarHBondContact O-SG 3.28Å; A320-C324 VanDerWaalsContact O-SG 3.39Å; C324-L326 VanDerWaalsContact C-N 3.28Å; C324-L326 PolarHBondContact O-N 2.92Å; C324-Q327 WeakPolarHBondContact O-CA 3.32Å; C324-Q327 WeakPolarHBondContact O-CB 3.24Å; C324-Q327 PolarHBondContact O-N 3Å; C324-D328 VanDerWaalsContact O-CG 3.3Å; C324-D328 PolarHBondContact O-N 2.97Å |
| 325 | R | 94.6 | Very high | 95.2 | Very high | 156 Ų | 156 | 97.1 Ų | 97.1 | 59% | 0.589 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.4 | -36.6 | 178.8 | -168.7 | 171.7 | -172.1 | 177.1 | 1.9 | 112.9 | R321 Y322 M329 | R321-R325 PolarHBondContact O-N 3.37Å; Y322-R325 PolarHBondContact O-N 2.92Å; R325-M329 HydrophobicContact CG-CE 4.49Å; R325-M329 WeakPolarHBondContact O-CG 3.4Å; R325-M329 PolarHBondContact O-N 2.93Å; R325-M329 VanDerWaalsContact O-N 3.09Å |
| 326 | L | 95.9 | Very high | 95.5 | Very high | 118 Ų | 118 | 99.9 Ų | 99.9 | 62% | 0.618 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67.3 | -40 | 173.8 | -76.1 | 170.3 | 0 | 0 | 0 | 111.5 | Y322 S323 C324 M329 Q330 | Y322-L326 WeakPolarHBondContact O-CB 3.49Å; Y322-L326 WeakPolarHBondContact O-CG 3.49Å; Y322-L326 PolarHBondContact O-N 3.03Å; S323-L326 PolarHBondContact O-N 3.43Å; C324-L326 VanDerWaalsContact C-N 3.28Å; C324-L326 PolarHBondContact O-N 2.92Å; L326-M329 PolarHBondContact O-N 3.4Å; L326-Q330 WeakPolarHBondContact O-CB 3.32Å; L326-Q330 PolarHBondContact O-N 2.91Å |
| 327 | Q | 96.6 | Very high | 95.7 | Very high | 115 Ų | 115 | 100.9 Ų | 100.9 | 54% | 0.537 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 175.3 | -173.4 | 177 | 4.8 | 0 | 0 | 111.7 | S323 C324 M329 Q330 Q331 | S323-Q327 PolarHBondContact O-N 3.36Å; C324-Q327 WeakPolarHBondContact O-CA 3.32Å; C324-Q327 WeakPolarHBondContact O-CB 3.24Å; C324-Q327 PolarHBondContact O-N 3Å; Q327-M329 PolarHBondContact O-N 3.49Å; Q327-Q330 WeakPolarHBondContact O-CB 3.36Å; Q327-Q330 PolarHBondContact O-N 3.21Å; Q327-Q331 WeakPolarHBondContact O-CG 3.44Å; Q327-Q331 PolarHBondContact O-N 2.95Å |
| 328 | D | 96.6 | Very high | 95.9 | Very high | 86 Ų | 86 | 101.4 Ų | 101.4 | 46% | 0.46 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 175.8 | -62.3 | -20.6 | 0 | 0 | 0 | 111.1 | C324 Q330 Q331 I332 | C324-D328 VanDerWaalsContact O-CG 3.3Å; C324-D328 PolarHBondContact O-N 2.97Å; D328-Q330 VanDerWaalsContact C-N 3.34Å; D328-Q330 PolarHBondContact O-N 3.37Å; D328-Q331 PolarHBondContact O-N 3.44Å; D328-I332 WeakPolarHBondContact O-CG1 3.5Å; D328-I332 PolarHBondContact O-N 3.27Å; D328-I332 VanDerWaalsContact O-N 3.09Å |
| 329 | M | 95.8 | Very high | 96.2 | Very high | 97 Ų | 97 | 103.1 Ų | 103.1 | 48% | 0.478 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 175 | -73.5 | -177.4 | 174 | 0 | 0 | 112 | R325 L326 Q327 Q331 I332 I333 | R325-M329 HydrophobicContact CG-CE 4.49Å; R325-M329 WeakPolarHBondContact O-CG 3.4Å; R325-M329 PolarHBondContact O-N 2.93Å; R325-M329 VanDerWaalsContact O-N 3.09Å; L326-M329 PolarHBondContact O-N 3.4Å; Q327-M329 PolarHBondContact O-N 3.49Å; M329-Q331 VanDerWaalsContact C-N 3.33Å; M329-Q331 PolarHBondContact O-N 2.85Å; M329-I332 PolarHBondContact O-N 2.99Å; M329-I333 VanDerWaalsContact O-CG1 3.3Å; M329-I333 WeakPolarHBondContact O-CG1 3.45Å; M329-I333 PolarHBondContact O-N 3.48Å |
| 330 | Q | 97.2 | Very high | 96.4 | Very high | 103 Ų | 103 | 100.5 Ų | 100.5 | 48% | 0.481 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 176.8 | -175.7 | 60.1 | 43.8 | 0 | 0 | 111.6 | L326 Q327 D328 I333 S334 | L326-Q330 WeakPolarHBondContact O-CB 3.32Å; L326-Q330 PolarHBondContact O-N 2.91Å; Q327-Q330 WeakPolarHBondContact O-CB 3.36Å; Q327-Q330 PolarHBondContact O-N 3.21Å; D328-Q330 VanDerWaalsContact C-N 3.34Å; D328-Q330 PolarHBondContact O-N 3.37Å; Q330-I333 PolarHBondContact O-N 3.25Å; Q330-S334 PolarHBondContact NE2-OG 2.81Å; Q330-S334 WeakPolarHBondContact O-CB 3.46Å; Q330-S334 PolarHBondContact O-N 3.24Å; Q330-S334 PolarHBondContact O-OG 3.07Å |
| 331 | Q | 97.3 | Very high | 96.7 | Very high | 114 Ų | 114 | 102.4 Ų | 102.4 | 53% | 0.533 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 175.1 | -73.1 | 174.6 | 4.4 | 0 | 0 | 111.8 | Q327 D328 M329 S334 H335 | Q327-Q331 WeakPolarHBondContact O-CG 3.44Å; Q327-Q331 PolarHBondContact O-N 2.95Å; D328-Q331 PolarHBondContact O-N 3.44Å; M329-Q331 VanDerWaalsContact C-N 3.33Å; M329-Q331 PolarHBondContact O-N 2.85Å; Q331-S334 PolarHBondContact O-N 2.88Å; Q331-H335 WeakPolarHBondContact O-CB 3.4Å; Q331-H335 PolarHBondContact O-N 3.42Å |
| 332 | I | 98.3 | Very high | 96.9 | Very high | 96 Ų | 96 | 101.3 Ų | 101.3 | 49% | 0.492 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 176.4 | -66 | 166.2 | 0 | 0 | 0 | 110.6 | D328 M329 H335 Y336 | D328-I332 WeakPolarHBondContact O-CG1 3.5Å; D328-I332 PolarHBondContact O-N 3.27Å; D328-I332 VanDerWaalsContact O-N 3.09Å; M329-I332 PolarHBondContact O-N 2.99Å; I332-H335 PolarHBondContact O-N 3.48Å; I332-Y336 HydrophobicContact CG2-CD2 3.68Å; I332-Y336 HydrophobicContact CG2-CE2 3.52Å; I332-Y336 WeakPolarHBondContact O-CD2 3.41Å; I332-Y336 PolarHBondContact O-N 3.21Å; I332-Y336 VanDerWaalsContact O-N 3.08Å |
| 333 | I | 97.6 | Very high | 97 | Very high | 82 Ų | 82 | 99 Ų | 99 | 42% | 0.421 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.8 | -50.6 | 176.8 | -69.5 | 165.9 | 0 | 0 | 0 | 110.1 | M329 Q330 H335 Y336 E337 | M329-I333 VanDerWaalsContact O-CG1 3.3Å; M329-I333 WeakPolarHBondContact O-CG1 3.45Å; M329-I333 PolarHBondContact O-N 3.48Å; Q330-I333 PolarHBondContact O-N 3.25Å; I333-H335 VanDerWaalsContact C-N 3.31Å; I333-H335 PolarHBondContact O-N 3.23Å; I333-Y336 PolarHBondContact O-N 2.97Å; I333-E337 HydrophobicContact CG2-CG 4.19Å; I333-E337 WeakPolarHBondContact O-CG 3.3Å; I333-E337 PolarHBondContact O-N 2.84Å |
| 334 | S | 97.8 | Very high | 97.2 | Very high | 39 Ų | 39 | 104 Ų | 104 | 27% | 0.273 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61 | -39.1 | 179.9 | -65.9 | 0 | 0 | 0 | 0 | 112.5 | Q330 Q331 E337 E338 | Q330-S334 PolarHBondContact NE2-OG 2.81Å; Q330-S334 WeakPolarHBondContact O-CB 3.46Å; Q330-S334 PolarHBondContact O-N 3.24Å; Q330-S334 PolarHBondContact O-OG 3.07Å; Q331-S334 PolarHBondContact O-N 2.88Å; S334-E337 PolarHBondContact O-N 3.19Å; S334-E338 WeakPolarHBondContact O-CG 3.35Å; S334-E338 PolarHBondContact O-N 3.37Å |
| 335 | H | 97.9 | Very high | 97.4 | Very high | 96 Ų | 96 | 106.5 Ų | 106.5 | 44% | 0.444 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 174.3 | 177.6 | 52.2 | 0 | 0 | 0 | 112.2 | Q331 I332 I333 E338 E339 | Q331-H335 WeakPolarHBondContact O-CB 3.4Å; Q331-H335 PolarHBondContact O-N 3.42Å; I332-H335 PolarHBondContact O-N 3.48Å; I333-H335 VanDerWaalsContact C-N 3.31Å; I333-H335 PolarHBondContact O-N 3.23Å; H335-E338 WeakPolarHBondContact O-CB 3.44Å; H335-E338 PolarHBondContact O-N 2.84Å; H335-E339 IonicContact CE1-OE1 3.05Å; H335-E339 PolarHBondContact CE1-OE1 2.91Å; H335-E339 IonicContact NE2-OE1 2.64Å; H335-E339 PolarHBondContact NE2-OE1 3.42Å; H335-E339 WeakPolarHBondContact O-CG 3.45Å; H335-E339 PolarHBondContact O-N 3.17Å |
| 336 | Y | 98.3 | Very high | 97.6 | Very high | 134 Ų | 134 | 102.5 Ų | 102.5 | 53% | 0.525 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.2 | -33 | 177.2 | -76.4 | -58.5 | 0 | 0 | 0 | 113.2 | I332 I333 E338 E339 L340 | I332-Y336 HydrophobicContact CG2-CD2 3.68Å; I332-Y336 HydrophobicContact CG2-CE2 3.52Å; I332-Y336 WeakPolarHBondContact O-CD2 3.41Å; I332-Y336 PolarHBondContact O-N 3.21Å; I332-Y336 VanDerWaalsContact O-N 3.08Å; I333-Y336 PolarHBondContact O-N 2.97Å; Y336-E338 VanDerWaalsContact C-N 3.34Å; Y336-E339 WeakPolarHBondContact CD1-OE2 3.49Å; Y336-E339 PolarHBondContact O-N 2.92Å; Y336-L340 WeakPolarHBondContact O-CB 3.33Å; Y336-L340 VanDerWaalsContact O-CG 3.29Å; Y336-L340 WeakPolarHBondContact O-CG 3.36Å; Y336-L340 PolarHBondContact O-N 2.79Å |
| 337 | E | 97.7 | Very high | 97.7 | Very high | 100 Ų | 100 | 102.1 Ų | 102.1 | 47% | 0.467 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 172.4 | -74.6 | 175.4 | 160.9 | 0 | 0 | 111.1 | I333 S334 L340 I341 | I333-E337 HydrophobicContact CG2-CG 4.19Å; I333-E337 WeakPolarHBondContact O-CG 3.3Å; I333-E337 PolarHBondContact O-N 2.84Å; S334-E337 PolarHBondContact O-N 3.19Å; E337-L340 PolarHBondContact O-N 3.48Å; E337-I341 VanDerWaalsContact O-CG1 3.24Å; E337-I341 WeakPolarHBondContact O-CG1 3.35Å; E337-I341 PolarHBondContact O-N 3Å |
| 338 | E | 97.8 | Very high | 97.8 | Very high | 113 Ų | 113 | 102.6 Ų | 102.6 | 53% | 0.528 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 174.5 | -73.4 | 172.3 | -169.6 | 0 | 0 | 111.8 | S334 H335 Y336 L340 I341 Q342 | S334-E338 WeakPolarHBondContact O-CG 3.35Å; S334-E338 PolarHBondContact O-N 3.37Å; H335-E338 WeakPolarHBondContact O-CB 3.44Å; H335-E338 PolarHBondContact O-N 2.84Å; Y336-E338 VanDerWaalsContact C-N 3.34Å; E338-L340 VanDerWaalsContact C-N 3.33Å; E338-L340 PolarHBondContact O-N 3.44Å; E338-I341 PolarHBondContact O-N 2.87Å; E338-Q342 WeakPolarHBondContact O-CG 3.4Å; E338-Q342 PolarHBondContact O-N 3.41Å |
| 339 | E | 98.3 | Very high | 97.8 | Very high | 78 Ų | 78 | 104.4 Ų | 104.4 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.5 | -42.2 | 175.4 | -71.8 | -171.6 | 158.3 | 0 | 0 | 112.1 | H335 Y336 I341 Q342 L343 | H335-E339 IonicContact CE1-OE1 3.05Å; H335-E339 PolarHBondContact CE1-OE1 2.91Å; H335-E339 IonicContact NE2-OE1 2.64Å; H335-E339 PolarHBondContact NE2-OE1 3.42Å; H335-E339 WeakPolarHBondContact O-CG 3.45Å; H335-E339 PolarHBondContact O-N 3.17Å; Y336-E339 WeakPolarHBondContact CD1-OE2 3.49Å; Y336-E339 PolarHBondContact O-N 2.92Å; E339-I341 VanDerWaalsContact C-N 3.35Å; E339-I341 PolarHBondContact O-N 3.43Å; E339-Q342 PolarHBondContact O-N 3.47Å; E339-L343 WeakPolarHBondContact O-CB 3.46Å; E339-L343 WeakPolarHBondContact O-CG 3.42Å; E339-L343 PolarHBondContact O-N 3.3Å |
| 340 | L | 98.1 | Very high | 97.9 | Very high | 102 Ų | 102 | 104.1 Ų | 104.1 | 53% | 0.534 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 176.4 | -77.4 | 172.6 | 0 | 0 | 0 | 112.2 | Y336 E337 E338 R344 | Y336-L340 WeakPolarHBondContact O-CB 3.33Å; Y336-L340 VanDerWaalsContact O-CG 3.29Å; Y336-L340 WeakPolarHBondContact O-CG 3.36Å; Y336-L340 PolarHBondContact O-N 2.79Å; E337-L340 PolarHBondContact O-N 3.48Å; E338-L340 VanDerWaalsContact C-N 3.33Å; E338-L340 PolarHBondContact O-N 3.44Å; L340-R344 WeakPolarHBondContact O-CG 3.39Å; L340-R344 PolarHBondContact O-N 3.28Å |
| 341 | I | 98.1 | Very high | 98 | Very high | 93 Ų | 93 | 103.1 Ų | 103.1 | 48% | 0.477 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65 | -45 | 175.8 | -70.4 | 165.1 | 0 | 0 | 0 | 110.1 | E337 E338 E339 R344 Q345 | E337-I341 VanDerWaalsContact O-CG1 3.24Å; E337-I341 WeakPolarHBondContact O-CG1 3.35Å; E337-I341 PolarHBondContact O-N 3Å; E338-I341 PolarHBondContact O-N 2.87Å; E339-I341 VanDerWaalsContact C-N 3.35Å; E339-I341 PolarHBondContact O-N 3.43Å; I341-R344 PolarHBondContact O-N 3.33Å; I341-Q345 WeakPolarHBondContact O-CG 3.4Å; I341-Q345 PolarHBondContact O-N 2.88Å |
| 342 | Q | 97.9 | Very high | 98 | Very high | 114 Ų | 114 | 102 Ų | 102 | 53% | 0.533 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60 | -47.2 | 177 | -71.1 | 173.8 | 13 | 0 | 0 | 111.6 | E338 E339 R344 Q345 D346 | E338-Q342 WeakPolarHBondContact O-CG 3.4Å; E338-Q342 PolarHBondContact O-N 3.41Å; E339-Q342 PolarHBondContact O-N 3.47Å; Q342-R344 VanDerWaalsContact C-N 3.32Å; Q342-R344 PolarHBondContact O-N 2.91Å; Q342-Q345 WeakPolarHBondContact O-CB 3.46Å; Q342-Q345 PolarHBondContact O-N 3.4Å; Q342-D346 PolarHBondContact O-N 2.93Å |
| 343 | L | 98.1 | Very high | 98 | Very high | 104 Ų | 104 | 101.8 Ų | 101.8 | 55% | 0.545 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.9 | -39 | 177.1 | -76.5 | 169.4 | 0 | 0 | 0 | 112.7 | E339 D346 L347 | E339-L343 WeakPolarHBondContact O-CB 3.46Å; E339-L343 WeakPolarHBondContact O-CG 3.42Å; E339-L343 PolarHBondContact O-N 3.3Å; L343-D346 PolarHBondContact O-N 3.19Å; L343-L347 WeakPolarHBondContact O-CB 3.27Å; L343-L347 WeakPolarHBondContact O-CG 3.47Å; L343-L347 PolarHBondContact O-N 3.39Å |
| 344 | R | 98.3 | Very high | 98 | Very high | 177 Ų | 177 | 103.6 Ų | 103.6 | 67% | 0.668 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.2 | -44.8 | 174.6 | -76.7 | 177.7 | -175.7 | -140.7 | 4.4 | 111.5 | L340 I341 Q342 D346 L347 E348 | L340-R344 WeakPolarHBondContact O-CG 3.39Å; L340-R344 PolarHBondContact O-N 3.28Å; I341-R344 PolarHBondContact O-N 3.33Å; Q342-R344 VanDerWaalsContact C-N 3.32Å; Q342-R344 PolarHBondContact O-N 2.91Å; R344-D346 VanDerWaalsContact C-N 3.32Å; R344-D346 PolarHBondContact O-N 3.42Å; R344-L347 PolarHBondContact O-N 3.01Å; R344-E348 WeakPolarHBondContact O-CG 3.4Å; R344-E348 PolarHBondContact O-N 2.9Å |
| 345 | Q | 98.2 | Very high | 98 | Very high | 119 Ų | 119 | 107.6 Ų | 107.6 | 56% | 0.556 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.6 | -41.6 | 177 | -70.1 | 173.1 | 4.3 | 0 | 0 | 111.5 | I341 Q342 E348 R349 | I341-Q345 WeakPolarHBondContact O-CG 3.4Å; I341-Q345 PolarHBondContact O-N 2.88Å; Q342-Q345 WeakPolarHBondContact O-CB 3.46Å; Q342-Q345 PolarHBondContact O-N 3.4Å; Q345-E348 PolarHBondContact O-N 2.97Å; Q345-R349 WeakPolarHBondContact O-CB 3.41Å; Q345-R349 PolarHBondContact O-N 3.37Å |
| 346 | D | 98.1 | Very high | 98 | Very high | 72 Ų | 72 | 107.5 Ų | 107.5 | 39% | 0.385 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 175.9 | -91.6 | -33.9 | 0 | 0 | 0 | 112.8 | Q342 L343 R344 R349 Q350 | Q342-D346 PolarHBondContact O-N 2.93Å; L343-D346 PolarHBondContact O-N 3.19Å; R344-D346 VanDerWaalsContact C-N 3.32Å; R344-D346 PolarHBondContact O-N 3.42Å; D346-R349 WeakPolarHBondContact O-CB 3.47Å; D346-R349 PolarHBondContact O-N 3.17Å; D346-R349 IonicContact OD1-CZ 3.37Å; D346-R349 IonicContact OD1-NE 3.87Å; D346-R349 PolarHBondContact OD1-NE 2.96Å; D346-R349 IonicContact OD1-NH2 3.9Å; D346-R349 PolarHBondContact OD1-NH2 3.14Å; D346-Q350 WeakPolarHBondContact O-CG 3.36Å; D346-Q350 PolarHBondContact O-N 3.23Å |
| 347 | L | 98.1 | Very high | 98 | Very high | 111 Ų | 111 | 106.3 Ų | 106.3 | 58% | 0.581 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.7 | -42.3 | 174.3 | -77.4 | 172.2 | 0 | 0 | 0 | 112 | L343 R344 R349 Q350 N351 | L343-L347 WeakPolarHBondContact O-CB 3.27Å; L343-L347 WeakPolarHBondContact O-CG 3.47Å; L343-L347 PolarHBondContact O-N 3.39Å; R344-L347 PolarHBondContact O-N 3.01Å; L347-R349 VanDerWaalsContact C-N 3.33Å; L347-Q350 PolarHBondContact O-N 3.43Å; L347-N351 VanDerWaalsContact O-CB 3.27Å; L347-N351 WeakPolarHBondContact O-CB 3.45Å; L347-N351 PolarHBondContact O-N 3.38Å |
| 348 | E | 97.9 | Very high | 98 | Very high | 125 Ų | 125 | 106.6 Ų | 106.6 | 58% | 0.584 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.9 | -42.8 | 175 | -76.8 | 179.8 | -176.1 | 0 | 0 | 111.4 | R344 Q345 N351 N352 | R344-E348 WeakPolarHBondContact O-CG 3.4Å; R344-E348 PolarHBondContact O-N 2.9Å; Q345-E348 PolarHBondContact O-N 2.97Å; E348-N351 PolarHBondContact O-N 3.29Å; E348-N352 WeakPolarHBondContact O-CB 3.27Å; E348-N352 PolarHBondContact O-N 2.85Å; E348-N352 PolarHBondContact O-ND2 3.19Å |
| 349 | R | 98 | Very high | 98 | Very high | 123 Ų | 123 | 103 Ų | 103 | 46% | 0.464 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.2 | -50.6 | 174.8 | -176.6 | 177.5 | 63.6 | 89.7 | -6.6 | 111.5 | Q345 D346 L347 N351 N352 E353 | Q345-R349 WeakPolarHBondContact O-CB 3.41Å; Q345-R349 PolarHBondContact O-N 3.37Å; D346-R349 WeakPolarHBondContact O-CB 3.47Å; D346-R349 PolarHBondContact O-N 3.17Å; D346-R349 IonicContact OD1-CZ 3.37Å; D346-R349 IonicContact OD1-NE 3.87Å; D346-R349 PolarHBondContact OD1-NE 2.96Å; D346-R349 IonicContact OD1-NH2 3.9Å; D346-R349 PolarHBondContact OD1-NH2 3.14Å; L347-R349 VanDerWaalsContact C-N 3.33Å; R349-N351 VanDerWaalsContact C-N 3.34Å; R349-N351 PolarHBondContact O-N 3.47Å; R349-N352 PolarHBondContact O-N 2.94Å; R349-E353 WeakPolarHBondContact CG-OE1 3.09Å; R349-E353 IonicContact CZ-OE1 2.87Å; R349-E353 IonicContact NH1-OE1 3.63Å; R349-E353 PolarHBondContact NH1-OE1 3.41Å; R349-E353 WeakPolarHBondContact O-CG 3.42Å; R349-E353 PolarHBondContact O-N 3.42Å |
| 350 | Q | 97.8 | Very high | 98 | Very high | 92 Ų | 92 | 103.4 Ų | 103.4 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 177 | -74.8 | -177 | -9.4 | 0 | 0 | 112 | D346 L347 N352 E353 H354 | D346-Q350 WeakPolarHBondContact O-CG 3.36Å; D346-Q350 PolarHBondContact O-N 3.23Å; L347-Q350 PolarHBondContact O-N 3.43Å; Q350-N352 VanDerWaalsContact C-N 3.31Å; Q350-N352 PolarHBondContact O-N 3.28Å; Q350-E353 PolarHBondContact O-N 2.95Å; Q350-H354 WeakPolarHBondContact O-CB 3.4Å; Q350-H354 PolarHBondContact O-CD2 3.05Å; Q350-H354 PolarHBondContact O-N 3.43Å |
| 351 | N | 98 | Very high | 98 | Very high | 81 Ų | 81 | 104 Ų | 104 | 43% | 0.433 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 176.8 | -174.5 | 28.5 | 0 | 0 | 0 | 111.7 | L347 E348 R349 H354 K355 | L347-N351 VanDerWaalsContact O-CB 3.27Å; L347-N351 WeakPolarHBondContact O-CB 3.45Å; L347-N351 PolarHBondContact O-N 3.38Å; E348-N351 PolarHBondContact O-N 3.29Å; R349-N351 VanDerWaalsContact C-N 3.34Å; R349-N351 PolarHBondContact O-N 3.47Å; N351-H354 PolarHBondContact O-N 3.24Å; N351-K355 WeakPolarHBondContact O-CG 3.47Å; N351-K355 PolarHBondContact O-N 2.86Å |
| 352 | N | 97.9 | Very high | 97.9 | Very high | 90 Ų | 90 | 102.3 Ų | 102.3 | 48% | 0.481 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.1 | -44.1 | 175.8 | -69.5 | -23.9 | 0 | 0 | 0 | 111.6 | E348 R349 Q350 H354 K355 V356 | E348-N352 WeakPolarHBondContact O-CB 3.27Å; E348-N352 PolarHBondContact O-N 2.85Å; E348-N352 PolarHBondContact O-ND2 3.19Å; R349-N352 PolarHBondContact O-N 2.94Å; Q350-N352 VanDerWaalsContact C-N 3.31Å; Q350-N352 PolarHBondContact O-N 3.28Å; N352-H354 VanDerWaalsContact C-N 3.32Å; N352-H354 PolarHBondContact O-N 3.39Å; N352-K355 PolarHBondContact O-N 3.15Å; N352-V356 WeakPolarHBondContact O-CG2 3.39Å; N352-V356 PolarHBondContact O-N 3.1Å |
| 353 | E | 97.9 | Very high | 97.9 | Very high | 92 Ų | 92 | 102 Ų | 102 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.3 | -43.3 | 173.4 | -69.9 | 171.3 | -165.2 | 0 | 0 | 111.3 | R349 Q350 V356 L357 | R349-E353 WeakPolarHBondContact CG-OE1 3.09Å; R349-E353 IonicContact CZ-OE1 2.87Å; R349-E353 IonicContact NH1-OE1 3.63Å; R349-E353 PolarHBondContact NH1-OE1 3.41Å; R349-E353 WeakPolarHBondContact O-CG 3.42Å; R349-E353 PolarHBondContact O-N 3.42Å; Q350-E353 PolarHBondContact O-N 2.95Å; E353-V356 PolarHBondContact O-N 3.43Å; E353-L357 WeakPolarHBondContact O-CG 3.46Å; E353-L357 PolarHBondContact O-N 2.87Å |
| 354 | H | 98 | Very high | 97.9 | Very high | 121 Ų | 121 | 101 Ų | 101 | 56% | 0.56 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.2 | -42.6 | 175.6 | -78.3 | -56.7 | 0 | 0 | 0 | 113.1 | Q350 N351 N352 V356 L357 L358 | Q350-H354 WeakPolarHBondContact O-CB 3.4Å; Q350-H354 PolarHBondContact O-CD2 3.05Å; Q350-H354 PolarHBondContact O-N 3.43Å; N351-H354 PolarHBondContact O-N 3.24Å; N352-H354 VanDerWaalsContact C-N 3.32Å; N352-H354 PolarHBondContact O-N 3.39Å; H354-V356 VanDerWaalsContact C-N 3.32Å; H354-V356 PolarHBondContact O-N 2.86Å; H354-L357 PolarHBondContact O-N 3.43Å; H354-L358 WeakPolarHBondContact O-CB 3.15Å; H354-L358 PolarHBondContact O-N 3.11Å |
| 355 | K | 97.6 | Very high | 97.8 | Very high | 123 Ų | 123 | 97.1 Ų | 97.1 | 54% | 0.535 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 175.2 | -74.3 | 171 | -174.6 | 170.6 | 0 | 111.6 | N351 N352 L358 G359 | N351-K355 WeakPolarHBondContact O-CG 3.47Å; N351-K355 PolarHBondContact O-N 2.86Å; N352-K355 PolarHBondContact O-N 3.15Å; K355-L358 PolarHBondContact O-N 2.96Å; K355-G359 PolarHBondContact O-N 3.03Å |
| 356 | V | 97.9 | Very high | 97.7 | Very high | 93 Ų | 93 | 98.4 Ų | 98.4 | 56% | 0.564 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.8 | -48.2 | 176.5 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | N352 E353 H354 L358 G359 I360 | N352-V356 WeakPolarHBondContact O-CG2 3.39Å; N352-V356 PolarHBondContact O-N 3.1Å; E353-V356 PolarHBondContact O-N 3.43Å; H354-V356 VanDerWaalsContact C-N 3.32Å; H354-V356 PolarHBondContact O-N 2.86Å; V356-L358 VanDerWaalsContact C-N 3.33Å; V356-L358 PolarHBondContact O-N 3.47Å; V356-G359 WeakPolarHBondContact O-CA 3.35Å; V356-G359 PolarHBondContact O-N 3.32Å; V356-G359 VanDerWaalsContact O-N 3.11Å; V356-I360 HydrophobicContact CG1-CD1 4.21Å; V356-I360 WeakPolarHBondContact O-CG1 3.33Å; V356-I360 PolarHBondContact O-N 3.42Å |
| 357 | L | 97.9 | Very high | 97.7 | Very high | 110 Ų | 110 | 98 Ų | 98 | 58% | 0.576 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.3 | -40.2 | 177.7 | -74.5 | 171.7 | 0 | 0 | 0 | 112.5 | E353 H354 G359 I360 K361 | E353-L357 WeakPolarHBondContact O-CG 3.46Å; E353-L357 PolarHBondContact O-N 2.87Å; H354-L357 PolarHBondContact O-N 3.43Å; L357-G359 VanDerWaalsContact C-N 3.32Å; L357-I360 PolarHBondContact O-N 3.34Å; L357-K361 WeakPolarHBondContact O-CB 3.4Å; L357-K361 PolarHBondContact O-N 2.95Å |
| 358 | L | 97.8 | Very high | 97.5 | Very high | 105 Ų | 105 | 96.6 Ų | 96.6 | 55% | 0.55 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 174.2 | -173.3 | 66.2 | 0 | 0 | 0 | 111 | H354 K355 V356 K361 T362 | H354-L358 WeakPolarHBondContact O-CB 3.15Å; H354-L358 PolarHBondContact O-N 3.11Å; K355-L358 PolarHBondContact O-N 2.96Å; V356-L358 VanDerWaalsContact C-N 3.33Å; V356-L358 PolarHBondContact O-N 3.47Å; L358-K361 PolarHBondContact O-N 3.48Å; L358-T362 VanDerWaalsContact O-CG2 3.32Å; L358-T362 WeakPolarHBondContact O-CG2 3.38Å; L358-T362 PolarHBondContact O-N 2.86Å; L358-T362 PolarHBondContact O-OG1 3.32Å |
| 359 | G | 98 | Very high | 97.4 | Very high | 37 Ų | 37 | 93 Ų | 93 | 38% | 0.381 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.5 | -48.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K355 V356 L357 T362 H363 | K355-G359 PolarHBondContact O-N 3.03Å; V356-G359 WeakPolarHBondContact O-CA 3.35Å; V356-G359 PolarHBondContact O-N 3.32Å; V356-G359 VanDerWaalsContact O-N 3.11Å; L357-G359 VanDerWaalsContact C-N 3.32Å; G359-T362 PolarHBondContact O-N 3.22Å; G359-T362 PolarHBondContact O-OG1 3.26Å; G359-H363 PolarHBondContact O-N 2.93Å |
| 360 | I | 97.9 | Very high | 97.1 | Very high | 88 Ų | 88 | 90.1 Ų | 90.1 | 45% | 0.451 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 176.9 | -62.3 | 171.9 | 0 | 0 | 0 | 110.9 | V356 L357 T362 H363 L364 | V356-I360 HydrophobicContact CG1-CD1 4.21Å; V356-I360 WeakPolarHBondContact O-CG1 3.33Å; V356-I360 PolarHBondContact O-N 3.42Å; L357-I360 PolarHBondContact O-N 3.34Å; I360-T362 PolarHBondContact O-N 3.34Å; I360-H363 WeakPolarHBondContact O-CB 3.32Å; I360-H363 PolarHBondContact O-N 3.14Å; I360-L364 HydrophobicContact CG2-CD1 3.98Å; I360-L364 HydrophobicContact CG2-CG 4.29Å; I360-L364 WeakPolarHBondContact O-CG 2.97Å; I360-L364 PolarHBondContact O-N 3.35Å |
| 361 | K | 97.8 | Very high | 97 | Very high | 113 Ų | 113 | 92.2 Ų | 92.2 | 49% | 0.491 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -57.3 | -51.5 | 177.2 | 177.6 | -173.4 | 165 | -176 | 0 | 111.1 | L357 L358 H363 L364 E365 | L357-K361 WeakPolarHBondContact O-CB 3.4Å; L357-K361 PolarHBondContact O-N 2.95Å; L358-K361 PolarHBondContact O-N 3.48Å; K361-H363 PolarHBondContact O-N 3.43Å; K361-L364 PolarHBondContact O-N 2.9Å; K361-E365 WeakPolarHBondContact CE-OE1 3.31Å; K361-E365 HydrophobicContact CG-CG 4.4Å; K361-E365 IonicContact NZ-OE1 3.22Å; K361-E365 WeakPolarHBondContact O-CB 3.4Å; K361-E365 WeakPolarHBondContact O-CG 3.35Å; K361-E365 PolarHBondContact O-N 3.31Å |
| 362 | T | 97.5 | Very high | 96.8 | Very high | 59 Ų | 59 | 95.9 Ų | 95.9 | 36% | 0.362 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63 | -31.6 | -180 | 58.2 | 0 | 0 | 0 | 0 | 112.3 | L358 G359 I360 K366 | L358-T362 VanDerWaalsContact O-CG2 3.32Å; L358-T362 WeakPolarHBondContact O-CG2 3.38Å; L358-T362 PolarHBondContact O-N 2.86Å; L358-T362 PolarHBondContact O-OG1 3.32Å; G359-T362 PolarHBondContact O-N 3.22Å; G359-T362 PolarHBondContact O-OG1 3.26Å; I360-T362 PolarHBondContact O-N 3.34Å; T362-K366 WeakPolarHBondContact O-CG 3.49Å; T362-K366 PolarHBondContact O-N 3.05Å |
| 363 | H | 98.1 | Very high | 96.5 | Very high | 106 Ų | 106 | 99.4 Ų | 99.4 | 49% | 0.491 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.6 | -49.8 | 172.7 | -178.5 | 57.5 | 0 | 0 | 0 | 112 | G359 I360 K361 E365 K366 E367 | G359-H363 PolarHBondContact O-N 2.93Å; I360-H363 WeakPolarHBondContact O-CB 3.32Å; I360-H363 PolarHBondContact O-N 3.14Å; K361-H363 PolarHBondContact O-N 3.43Å; H363-E365 VanDerWaalsContact C-N 3.31Å; H363-E365 PolarHBondContact O-N 3.21Å; H363-K366 WeakPolarHBondContact O-CB 2.8Å; H363-K366 PolarHBondContact O-N 2.88Å; H363-K366 VanDerWaalsContact O-N 3.1Å; H363-E367 IonicContact CD2-OE1 2.69Å; H363-E367 IonicContact CE1-OE1 3.92Å; H363-E367 IonicContact NE2-OE1 3.64Å; H363-E367 PolarHBondContact NE2-OE1 3.22Å; H363-E367 PolarHBondContact O-N 3.18Å |
| 364 | L | 97.6 | Very high | 96.2 | Very high | 83 Ų | 83 | 101.5 Ų | 101.5 | 44% | 0.435 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.3 | -37.6 | 176.8 | -69.1 | 174.6 | 0 | 0 | 0 | 112.3 | I360 K361 K366 E367 I368 | I360-L364 HydrophobicContact CG2-CD1 3.98Å; I360-L364 HydrophobicContact CG2-CG 4.29Å; I360-L364 WeakPolarHBondContact O-CG 2.97Å; I360-L364 PolarHBondContact O-N 3.35Å; K361-L364 PolarHBondContact O-N 2.9Å; L364-K366 VanDerWaalsContact C-N 3.31Å; L364-K366 PolarHBondContact O-N 2.96Å; L364-E367 PolarHBondContact O-N 2.95Å; L364-I368 VanDerWaalsContact O-CG1 3.31Å; L364-I368 WeakPolarHBondContact O-CG1 3.34Å; L364-I368 PolarHBondContact O-N 3.5Å |
| 365 | E | 96.6 | Very high | 95.6 | Very high | 96 Ų | 96 | 103 Ų | 103 | 45% | 0.449 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 174.7 | -75.9 | 174.1 | 160.1 | 0 | 0 | 111.9 | K361 H363 I368 A369 | K361-E365 WeakPolarHBondContact CE-OE1 3.31Å; K361-E365 HydrophobicContact CG-CG 4.4Å; K361-E365 IonicContact NZ-OE1 3.22Å; K361-E365 WeakPolarHBondContact O-CB 3.4Å; K361-E365 WeakPolarHBondContact O-CG 3.35Å; K361-E365 PolarHBondContact O-N 3.31Å; H363-E365 VanDerWaalsContact C-N 3.31Å; H363-E365 PolarHBondContact O-N 3.21Å; E365-I368 PolarHBondContact O-N 2.86Å; E365-A369 WeakPolarHBondContact O-CB 3.45Å; E365-A369 PolarHBondContact O-N 2.91Å |
| 366 | K | 96.1 | Very high | 94.9 | Very high | 146 Ų | 146 | 103.8 Ų | 103.8 | 64% | 0.635 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.3 | -43.3 | 173.5 | -70.9 | 170.8 | -176.9 | 178.1 | 0 | 111.5 | T362 H363 L364 A369 T370 | T362-K366 WeakPolarHBondContact O-CG 3.49Å; T362-K366 PolarHBondContact O-N 3.05Å; H363-K366 WeakPolarHBondContact O-CB 2.8Å; H363-K366 PolarHBondContact O-N 2.88Å; H363-K366 VanDerWaalsContact O-N 3.1Å; L364-K366 VanDerWaalsContact C-N 3.31Å; L364-K366 PolarHBondContact O-N 2.96Å; K366-A369 PolarHBondContact O-N 2.85Å; K366-T370 WeakPolarHBondContact O-CG2 3.18Å; K366-T370 PolarHBondContact O-N 3.28Å; K366-T370 PolarHBondContact O-OG1 3.25Å |
| 367 | E | 96.9 | Very high | 93 | Very high | 65 Ų | 65 | 101 Ų | 101 | 30% | 0.304 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 176.1 | -67.8 | -176.7 | 160.3 | 0 | 0 | 112 | H363 L364 A369 T370 Y371 | H363-E367 IonicContact CD2-OE1 2.69Å; H363-E367 IonicContact CE1-OE1 3.92Å; H363-E367 IonicContact NE2-OE1 3.64Å; H363-E367 PolarHBondContact NE2-OE1 3.22Å; H363-E367 PolarHBondContact O-N 3.18Å; L364-E367 PolarHBondContact O-N 2.95Å; E367-A369 VanDerWaalsContact C-N 3.31Å; E367-A369 PolarHBondContact O-N 3.41Å; E367-T370 WeakPolarHBondContact CA-OG1 3.43Å; E367-T370 PolarHBondContact O-N 3.05Å; E367-T370 PolarHBondContact O-OG1 3.05Å; E367-Y371 HydrophobicContact CB-CD2 4.38Å; E367-Y371 HydrophobicContact CB-CE2 4.02Å; E367-Y371 WeakPolarHBondContact O-CB 3.46Å; E367-Y371 WeakPolarHBondContact O-CD2 3.49Å; E367-Y371 VanDerWaalsContact O-CG 3.26Å; E367-Y371 PolarHBondContact O-N 3.48Å |
| 368 | I | 94.8 | Very high | 91 | Very high | 81 Ų | 81 | 103.5 Ų | 103.5 | 42% | 0.415 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63 | -40.8 | 175.1 | -68.5 | 165.7 | 0 | 0 | 0 | 110.6 | L364 E365 Y371 R372 | L364-I368 VanDerWaalsContact O-CG1 3.31Å; L364-I368 WeakPolarHBondContact O-CG1 3.34Å; L364-I368 PolarHBondContact O-N 3.5Å; E365-I368 PolarHBondContact O-N 2.86Å; I368-Y371 PolarHBondContact O-N 3.45Å; I368-R372 HydrophobicContact CG2-CG 4.4Å; I368-R372 WeakPolarHBondContact O-CB 3.41Å; I368-R372 WeakPolarHBondContact O-CG 3.39Å; I368-R372 PolarHBondContact O-N 3.26Å |
| 369 | A | 94.9 | Very high | 88.7 | Confident | 49 Ų | 49 | 104.1 Ų | 104.1 | 41% | 0.405 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E365 K366 E367 R373 | E365-A369 WeakPolarHBondContact O-CB 3.45Å; E365-A369 PolarHBondContact O-N 2.91Å; K366-A369 PolarHBondContact O-N 2.85Å; E367-A369 VanDerWaalsContact C-N 3.31Å; E367-A369 PolarHBondContact O-N 3.41Å; A369-R373 PolarHBondContact O-N 3.07Å; A369-R373 VanDerWaalsContact O-N 3.08Å |
| 370 | T | 92.8 | Very high | 86.3 | Confident | 63 Ų | 63 | 111.2 Ų | 111.2 | 39% | 0.387 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -68.3 | -41.2 | 173.9 | 56.3 | 0 | 0 | 0 | 0 | 111.7 | K366 E367 R372 R373 L374 | K366-T370 WeakPolarHBondContact O-CG2 3.18Å; K366-T370 PolarHBondContact O-N 3.28Å; K366-T370 PolarHBondContact O-OG1 3.25Å; E367-T370 WeakPolarHBondContact CA-OG1 3.43Å; E367-T370 PolarHBondContact O-N 3.05Å; E367-T370 PolarHBondContact O-OG1 3.05Å; T370-R372 PolarHBondContact O-N 2.97Å; T370-R373 PolarHBondContact O-N 2.69Å; T370-L374 WeakPolarHBondContact O-CG 3.33Å; T370-L374 PolarHBondContact O-N 3.44Å |
| 371 | Y | 95.6 | Very high | 84.1 | Confident | 136 Ų | 136 | 110.7 Ų | 110.7 | 53% | 0.533 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.9 | -40.5 | 174.7 | -68.7 | -47.4 | 0 | 0 | 0 | 112.5 | E367 I368 L374 L375 | E367-Y371 HydrophobicContact CB-CD2 4.38Å; E367-Y371 HydrophobicContact CB-CE2 4.02Å; E367-Y371 WeakPolarHBondContact O-CB 3.46Å; E367-Y371 WeakPolarHBondContact O-CD2 3.49Å; E367-Y371 VanDerWaalsContact O-CG 3.26Å; E367-Y371 PolarHBondContact O-N 3.48Å; I368-Y371 PolarHBondContact O-N 3.45Å; Y371-L374 PolarHBondContact O-N 3.1Å; Y371-L375 WeakPolarHBondContact O-CB 3.38Å; Y371-L375 WeakPolarHBondContact O-CD1 3.35Å; Y371-L375 WeakPolarHBondContact O-CG 3.47Å; Y371-L375 PolarHBondContact O-N 3.37Å |
| 372 | R | 93.1 | Very high | 81.3 | Confident | 157 Ų | 157 | 111.1 Ų | 111.1 | 59% | 0.592 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -61.4 | -46.8 | 174.1 | -76.4 | 178.3 | -178.2 | 171.3 | 0.9 | 111.7 | I368 T370 L374 L375 E376 | I368-R372 HydrophobicContact CG2-CG 4.4Å; I368-R372 WeakPolarHBondContact O-CB 3.41Å; I368-R372 WeakPolarHBondContact O-CG 3.39Å; I368-R372 PolarHBondContact O-N 3.26Å; T370-R372 PolarHBondContact O-N 2.97Å; R372-L374 VanDerWaalsContact C-N 3.31Å; R372-L374 PolarHBondContact O-N 3.38Å; R372-L375 PolarHBondContact O-N 3.25Å; R372-L375 VanDerWaalsContact O-N 3.13Å; R372-E376 WeakPolarHBondContact O-CB 3.34Å; R372-E376 WeakPolarHBondContact O-CG 3.4Å; R372-E376 PolarHBondContact O-N 2.97Å |
| 373 | R | 91.6 | Very high | 78.6 | Confident | 165 Ų | 165 | 116.3 Ų | 116.3 | 62% | 0.623 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -57.5 | -42.9 | 176.1 | -171 | -174.3 | -59.2 | 156.8 | 1.7 | 112.4 | A369 T370 G377 | A369-R373 PolarHBondContact O-N 3.07Å; A369-R373 VanDerWaalsContact O-N 3.08Å; T370-R373 PolarHBondContact O-N 2.69Å; R373-G377 PolarHBondContact O-N 2.79Å |
| 374 | L | 91.3 | Very high | 75.8 | Confident | 135 Ų | 135 | 118.7 Ų | 118.7 | 71% | 0.707 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.5 | -34.9 | 177.5 | -69.3 | 171.7 | 0 | 0 | 0 | 112.7 | T370 Y371 R372 | T370-L374 WeakPolarHBondContact O-CG 3.33Å; T370-L374 PolarHBondContact O-N 3.44Å; Y371-L374 PolarHBondContact O-N 3.1Å; R372-L374 VanDerWaalsContact C-N 3.31Å; R372-L374 PolarHBondContact O-N 3.38Å |
| 375 | L | 86.7 | Confident | 72.9 | Confident | 152 Ų | 152 | 118 Ų | 118 | 80% | 0.796 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -77.7 | -32.7 | 179.1 | -77.8 | 163.9 | 0 | 0 | 0 | 113.3 | Y371 R372 G377 | Y371-L375 WeakPolarHBondContact O-CB 3.38Å; Y371-L375 WeakPolarHBondContact O-CD1 3.35Å; Y371-L375 WeakPolarHBondContact O-CG 3.47Å; Y371-L375 PolarHBondContact O-N 3.37Å; R372-L375 PolarHBondContact O-N 3.25Å; R372-L375 VanDerWaalsContact O-N 3.13Å; L375-G377 PolarHBondContact O-N 3.42Å |
| 376 | E | 82.4 | Confident | 70.5 | Confident | 141 Ų | 141 | 118.7 Ų | 118.7 | 66% | 0.659 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -69.9 | -13.5 | 174.6 | -73.8 | 163.7 | -170 | 0 | 0 | 111.8 | R372 | R372-E376 WeakPolarHBondContact O-CB 3.34Å; R372-E376 WeakPolarHBondContact O-CG 3.4Å; R372-E376 PolarHBondContact O-N 2.97Å |
| 377 | G | 56.9 | Low | 67.6 | Low | 34 Ų | 34 | 120.4 Ų | 120.4 | 35% | 0.351 | 66% | 0.656 | S | S | . | * | trans | 72.8 | 145.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | R373 L375 T379 | R373-G377 PolarHBondContact O-N 2.79Å; L375-G377 PolarHBondContact O-N 3.42Å; G377-T379 PolarHBondContact O-N 3.13Å | ||
| 378 | D | 55.9 | Low | 65.1 | Low | 162 Ų | 162 | 123.2 Ų | 123.2 | 87% | 0.866 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -62.7 | 77.4 | 167.5 | -79.8 | -34 | 0 | 0 | 0 | 109.9 | ||
| 379 | T | 50.2 | Low | 62.2 | Low | 119 Ų | 119 | 130.1 Ų | 130.1 | 73% | 0.73 | 70% | 0.704 | S | S | * | * | trans | -112.8 | 53.3 | 168.3 | 64.3 | 0 | 0 | 0 | 0 | 109.7 | G377 | G377-T379 PolarHBondContact O-N 3.13Š| ||
| 380 | E | 48 | Very low | 59.6 | Low | 185 Ų | 185 | 135.4 Ų | 135.4 | 86% | 0.864 | 72% | 0.724 | S | S | * | * | trans | -158.5 | 63.1 | 159.4 | -115.9 | 169 | -156.8 | 0 | 0 | 110.4 | T382 | E380-T382 PolarHBondContact O-N 2.98Š| ||
| 381 | G | 51.6 | Low | 57.1 | Low | 77 Ų | 77 | 142.1 Ų | 142.1 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | trans | -76 | 92.5 | 148.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 382 | T | 39.6 | Very low | 54.1 | Low | 122 Ų | 122 | 139.1 Ų | 139.1 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | -162.1 | 108.4 | 156.8 | -70.8 | 0 | 0 | 0 | 0 | 110.4 | E380 | E380-T382 PolarHBondContact O-N 2.98Š| ||
| 383 | M | 40.4 | Very low | 51.6 | Low | 169 Ų | 169 | 136.7 Ų | 136.7 | 83% | 0.833 | 77% | 0.765 | S | S | * | * | trans | 52 | 113 | 140.5 | -61.1 | -61.8 | -173.3 | 0 | 0 | 120.7 | ||||
| 384 | D | 39.3 | Very low | 49.3 | Very low | 155 Ų | 155 | 137.7 Ų | 137.7 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | 71.9 | 132.4 | 113.9 | -152.9 | 19.1 | 0 | 0 | 0 | 118.9 | |||||
| 385 | G | 35.4 | Very low | 47.2 | Very low | 69 Ų | 69 | 133.9 Ų | 133.9 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | 156.1 | 55.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E387 | G385-E387 PolarHBondContact O-N 2.83Š| ||
| 386 | S | 46.5 | Very low | 45.6 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | -59.2 | 113.1 | 164 | -57.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 387 | E | 35.4 | Very low | 44.2 | Very low | 181 Ų | 181 | 127 Ų | 127 | 85% | 0.846 | 74% | 0.743 | S | S | * | * | trans | -134.6 | 87.6 | 155.6 | -94.1 | -163.9 | 158.5 | 0 | 0 | 110.7 | G385 R389 | G385-E387 PolarHBondContact O-N 2.83Å; E387-R389 PolarHBondContact O-N 3.36Å | ||
| 388 | S | 43.8 | Very low | 44.5 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 87% | 0.867 | 75% | 0.748 | S | S | * | * | trans | -63.4 | 109.5 | 148.8 | 55.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 389 | R | 34 | Very low | 45.3 | Very low | 227 Ų | 227 | 128.2 Ų | 128.2 | 86% | 0.857 | 73% | 0.734 | S | S | * | * | trans | -133.9 | 93.5 | 157 | -161.2 | 169.8 | -177.8 | -177.7 | -0.2 | 110.9 | E387 | E387-R389 PolarHBondContact O-N 3.36Š| ||
| 390 | L | 41.8 | Very low | 46 | Very low | 159 Ų | 159 | 124.2 Ų | 124.2 | 83% | 0.832 | 71% | 0.713 | S | S | * | * | trans | -63.4 | 146.5 | 159.2 | -79.5 | 161.8 | 0 | 0 | 0 | 110.3 | ||||
| 391 | K | 39.2 | Very low | 47.3 | Very low | 205 Ų | 205 | 120.8 Ų | 120.8 | 89% | 0.891 | 70% | 0.699 | S | S | * | * | trans | 82.2 | 94.4 | 158.9 | -69.4 | 177.6 | 174.4 | -178.1 | 0 | 118.2 | ||||
| 392 | G | 32.1 | Very low | 48.3 | Very low | 73 Ų | 73 | 121.1 Ų | 121.1 | 75% | 0.753 | 69% | 0.686 | S | S | * | * | trans | -142.9 | 99.3 | 139.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | E394 | G392-E394 PolarHBondContact O-N 3.48Š| ||
| 393 | S | 40.8 | Very low | 50 | Low | 105 Ų | 105 | 120.9 Ų | 120.9 | 73% | 0.734 | 68% | 0.676 | S | S | * | * | trans | -71.4 | 94.4 | 175.5 | 175.3 | 0 | 0 | 0 | 0 | 108.5 | A395 | S393-A395 PolarHBondContact O-N 2.84Å; S393-A395 VanDerWaalsContact O-N 3.17Å | ||
| 394 | E | 43.8 | Very low | 51.5 | Low | 187 Ų | 187 | 119.1 Ų | 119.1 | 87% | 0.874 | 67% | 0.666 | S | S | * | * | trans | -68.2 | 109.9 | 165.2 | -71.6 | -173.7 | 167 | 0 | 0 | 108 | G392 S396 | G392-E394 PolarHBondContact O-N 3.48Å; E394-S396 PolarHBondContact O-N 3.37Å; E394-S396 VanDerWaalsContact O-N 3.1Å | ||
| 395 | A | 47 | Very low | 53.4 | Low | 55 Ų | 55 | 115.3 Ų | 115.3 | 46% | 0.455 | 65% | 0.652 | S | S | . | * | trans | -59.7 | 113.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | S393 T397 | S393-A395 PolarHBondContact O-N 2.84Å; S393-A395 VanDerWaalsContact O-N 3.17Å; A395-T397 PolarHBondContact O-N 3.31Å | ||
| 396 | S | 53.2 | Low | 54.5 | Low | 81 Ų | 81 | 116.1 Ų | 116.1 | 57% | 0.566 | 64% | 0.643 | S | S | * | * | trans | -66 | 98.1 | 173.6 | -177.8 | 0 | 0 | 0 | 0 | 109 | E394 I398 | E394-S396 PolarHBondContact O-N 3.37Å; E394-S396 VanDerWaalsContact O-N 3.1Å; S396-I398 PolarHBondContact O-N 3.08Å | ||
| 397 | T | 52.5 | Low | 55.1 | Low | 68 Ų | 68 | 118.6 Ų | 118.6 | 42% | 0.417 | 65% | 0.647 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.4 | 116.6 | 171.4 | 30.7 | 0 | 0 | 0 | 0 | 109.5 | A395 Q419 | A395-T397 PolarHBondContact O-N 3.31Å; T397-Q419 HydrophobicContact CG2-CG 3.88Å |
| 398 | I | 64.6 | Low | 57 | Low | 90 Ų | 90 | 113.5 Ų | 113.5 | 46% | 0.462 | 64% | 0.644 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.4 | 122.8 | 175.6 | -61.8 | 174.2 | 0 | 0 | 0 | 107 | S396 I418 K420 | S396-I398 PolarHBondContact O-N 3.08Å; I398-I418 PolarHBondContact N-O 3.07Å; I398-I418 PolarHBondContact O-N 3.33Å; I398-I418 VanDerWaalsContact O-N 3.07Å; I398-K420 HydrophobicContact CD1-CD 4.07Å |
| 399 | K | 72.1 | Confident | 58 | Low | 130 Ų | 130 | 117.4 Ų | 117.4 | 57% | 0.565 | 64% | 0.639 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.2 | 109.1 | 174.5 | -58.7 | -162.6 | -178 | -145.9 | 0 | 108.7 | V415 E417 | K399-V415 HydrophobicContact CB-CG1 4.27Å; K399-E417 HydrophobicContact CD-CG 4.44Å; K399-E417 WeakPolarHBondContact CE-OE1 3.47Å; K399-E417 HydrophobicContact CG-CG 4.14Å; K399-E417 IonicContact NZ-OE1 3.76Å; K399-E417 PolarHBondContact NZ-OE1 3.02Å |
| 400 | A | 65.2 | Low | 60.1 | Low | 36 Ų | 36 | 111.3 Ų | 111.3 | 30% | 0.298 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.5 | 123.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109 | N416 I418 | A400-N416 PolarHBondContact N-O 2.69Å; A400-N416 PolarHBondContact O-N 2.97Å; A400-I418 HydrophobicContact CB-CD1 4.3Å |
| 401 | I | 74.8 | Confident | 61.7 | Low | 112 Ų | 112 | 108.6 Ų | 108.6 | 57% | 0.574 | 61% | 0.613 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -103.7 | 112 | 177 | -52.9 | -178.3 | 0 | 0 | 0 | 107.4 | V415 | I401-V415 HydrophobicContact CG1-CG1 4.44Å; I401-V415 HydrophobicContact CG1-CG2 4.16Å |
| 402 | T | 73.5 | Confident | 63 | Low | 84 Ų | 84 | 103.9 Ų | 103.9 | 52% | 0.515 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.8 | 123.7 | 172.8 | 43.5 | 0 | 0 | 0 | 0 | 109 | Q414 | T402-Q414 PolarHBondContact N-O 3.28Å; T402-Q414 PolarHBondContact O-N 2.96Å; T402-Q414 VanDerWaalsContact O-N 3.14Å; T402-Q414 PolarHBondContact OG1-O 3.35Å |
| 403 | Q | 73.9 | Confident | 65 | Low | 117 Ų | 117 | 103.9 Ų | 103.9 | 55% | 0.547 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.9 | 125.9 | -177.1 | -171.1 | 170.6 | 57.5 | 0 | 0 | 109.7 | I410 | Q403-I410 VanDerWaalsContact CD-CG1 3.49Å; Q403-I410 HydrophobicContact CG-CB 4.36Å; Q403-I410 HydrophobicContact CG-CG1 3.97Å; Q403-I410 HydrophobicContact CG-CG2 3.59Å; Q403-I410 VanDerWaalsContact NE2-CG1 3.27Å; Q403-I410 VanDerWaalsContact NE2-CG2 3.31Å |
| 404 | E | 71.8 | Confident | 66.7 | Low | 132 Ų | 132 | 104.3 Ų | 104.3 | 62% | 0.617 | 58% | 0.575 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.9 | 120.8 | 176.5 | -159.1 | 174.7 | -170.1 | 0 | 0 | 109 | V411 L412 | E404-V411 PolarHBondContact O-N 3.1Å; E404-V411 VanDerWaalsContact O-N 3.1Å; E404-L412 PolarHBondContact N-O 3.2Å; E404-L412 VanDerWaalsContact N-O 3.15Å |
| 405 | S | 79.3 | Confident | 68.1 | Low | 76 Ų | 76 | 99.2 Ų | 99.2 | 53% | 0.531 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.2 | 130.3 | -178.7 | 65 | 0 | 0 | 0 | 0 | 110.7 | R409 | S405-R409 WeakPolarHBondContact CA-O 3.42Å |
| 406 | V | 59.6 | Low | 69 | Low | 85 Ų | 85 | 100 Ų | 100 | 52% | 0.515 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.2 | 125.7 | 169.6 | -179.7 | 0 | 0 | 0 | 0 | 107.5 | G408 R409 V411 | V406-G408 VanDerWaalsContact C-N 3.28Å; V406-G408 PolarHBondContact O-N 3.23Å; V406-R409 PolarHBondContact N-O 3.5Å; V406-R409 VanDerWaalsContact N-O 3.17Å; V406-R409 PolarHBondContact O-N 3.33Å; V406-V411 HydrophobicContact CB-CG2 4.41Å |
| 407 | N | 59.7 | Low | 69.8 | Low | 163 Ų | 163 | 101.8 Ų | 101.8 | 87% | 0.872 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53.5 | 39.3 | -178.9 | -57.8 | -26.4 | 0 | 0 | 0 | 114.3 | R409 | N407-R409 PolarHBondContact O-N 3.4Š|
| 408 | G | 73.9 | Confident | 70.5 | Confident | 75 Ų | 75 | 103.4 Ų | 103.4 | 77% | 0.773 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.2 | 3.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | V406 | V406-G408 VanDerWaalsContact C-N 3.28Å; V406-G408 PolarHBondContact O-N 3.23Å |
| 409 | R | 66.3 | Low | 70.2 | Confident | 205 Ų | 205 | 105.5 Ų | 105.5 | 77% | 0.774 | 57% | 0.565 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.1 | 132.7 | 167.4 | -71.5 | -172.8 | -177.2 | -176.3 | 2 | 109.9 | S405 V406 N407 V411 | S405-R409 WeakPolarHBondContact CA-O 3.42Å; V406-R409 PolarHBondContact N-O 3.5Å; V406-R409 VanDerWaalsContact N-O 3.17Å; V406-R409 PolarHBondContact O-N 3.33Å; N407-R409 PolarHBondContact O-N 3.4Å; R409-V411 PolarHBondContact O-N 3.47Å |
| 410 | I | 77.8 | Confident | 69.4 | Low | 100 Ų | 100 | 105.3 Ų | 105.3 | 51% | 0.513 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.8 | 118.3 | 177.9 | -63.3 | 150.5 | 0 | 0 | 0 | 107.7 | Q403 | Q403-I410 VanDerWaalsContact CD-CG1 3.49Å; Q403-I410 HydrophobicContact CG-CB 4.36Å; Q403-I410 HydrophobicContact CG-CG1 3.97Å; Q403-I410 HydrophobicContact CG-CG2 3.59Å; Q403-I410 VanDerWaalsContact NE2-CG1 3.27Å; Q403-I410 VanDerWaalsContact NE2-CG2 3.31Å |
| 411 | V | 74.6 | Confident | 68.7 | Low | 102 Ų | 102 | 111.4 Ų | 111.4 | 62% | 0.618 | 59% | 0.587 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.3 | -30.6 | -176.7 | -174.1 | 0 | 0 | 0 | 0 | 111 | E404 V406 R409 | E404-V411 PolarHBondContact O-N 3.1Å; E404-V411 VanDerWaalsContact O-N 3.1Å; V406-V411 HydrophobicContact CB-CG2 4.41Å; R409-V411 PolarHBondContact O-N 3.47Å |
| 412 | L | 67.5 | Low | 67.4 | Low | 106 Ų | 106 | 115.9 Ų | 115.9 | 56% | 0.555 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -143.3 | 137.1 | 179.4 | -95.3 | 147 | 0 | 0 | 0 | 110.8 | E404 | E404-L412 PolarHBondContact N-O 3.2Å; E404-L412 VanDerWaalsContact N-O 3.15Å |
| 413 | S | 74.2 | Confident | 67.1 | Low | 73 Ų | 73 | 117.5 Ų | 117.5 | 51% | 0.51 | 62% | 0.615 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -133.8 | 113 | 174.4 | 177.1 | 0 | 0 | 0 | 0 | 108.3 | ||
| 414 | Q | 75.2 | Confident | 66.8 | Low | 114 Ų | 114 | 117.5 Ų | 117.5 | 53% | 0.533 | 62% | 0.618 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.3 | 132.8 | 179.9 | -170.5 | 168.9 | -4.8 | 0 | 0 | 110.1 | T402 N416 | T402-Q414 PolarHBondContact N-O 3.28Å; T402-Q414 PolarHBondContact O-N 2.96Å; T402-Q414 VanDerWaalsContact O-N 3.14Å; T402-Q414 PolarHBondContact OG1-O 3.35Å; Q414-N416 PolarHBondContact NE2-OD1 3.17Å |
| 415 | V | 73.7 | Confident | 66.5 | Low | 79 Ų | 79 | 116.7 Ų | 116.7 | 48% | 0.479 | 62% | 0.618 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.7 | 114.1 | 179.8 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | K399 I401 | K399-V415 HydrophobicContact CB-CG1 4.27Å; I401-V415 HydrophobicContact CG1-CG1 4.44Å; I401-V415 HydrophobicContact CG1-CG2 4.16Å |
| 416 | N | 65.8 | Low | 65.7 | Low | 71 Ų | 71 | 119.1 Ų | 119.1 | 38% | 0.38 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.7 | 127.6 | 177.9 | -66 | -26.8 | 0 | 0 | 0 | 109.5 | A400 Q414 | A400-N416 PolarHBondContact N-O 2.69Å; A400-N416 PolarHBondContact O-N 2.97Å; Q414-N416 PolarHBondContact NE2-OD1 3.17Å |
| 417 | E | 70.1 | Confident | 66.1 | Low | 120 Ų | 120 | 121.3 Ų | 121.3 | 56% | 0.561 | 63% | 0.63 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.4 | 113.4 | 175 | -75.1 | -176.2 | 179.8 | 0 | 0 | 109.3 | K399 | K399-E417 HydrophobicContact CD-CG 4.44Å; K399-E417 WeakPolarHBondContact CE-OE1 3.47Å; K399-E417 HydrophobicContact CG-CG 4.14Å; K399-E417 IonicContact NZ-OE1 3.76Å; K399-E417 PolarHBondContact NZ-OE1 3.02Å |
| 418 | I | 66.8 | Low | 66.5 | Low | 102 Ų | 102 | 118.5 Ų | 118.5 | 52% | 0.523 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104 | 118.8 | 176.8 | -55.3 | 175.8 | 0 | 0 | 0 | 107.6 | I398 A400 K420 | I398-I418 PolarHBondContact N-O 3.07Å; I398-I418 PolarHBondContact O-N 3.33Å; I398-I418 VanDerWaalsContact O-N 3.07Å; A400-I418 HydrophobicContact CB-CD1 4.3Å; I418-K420 PolarHBondContact O-N 3.33Å |
| 419 | Q | 59.3 | Low | 66 | Low | 133 Ų | 133 | 121.6 Ų | 121.6 | 62% | 0.621 | 60% | 0.603 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.8 | 114 | 171.2 | -79.7 | -179.7 | -21.2 | 0 | 0 | 109 | T397 H421 | T397-Q419 HydrophobicContact CG2-CG 3.88Å; Q419-H421 PolarHBondContact O-N 3.3Å |
| 420 | K | 54.6 | Low | 66 | Low | 126 Ų | 126 | 115.2 Ų | 115.2 | 55% | 0.548 | 59% | 0.589 | S | S | . | * | trans | -80.2 | 98.5 | 171.2 | -168.9 | 178.3 | -178.3 | -178.5 | 0 | 108.2 | I398 I418 I422 | I398-K420 HydrophobicContact CD1-CD 4.07Å; I418-K420 PolarHBondContact O-N 3.33Å; K420-I422 PolarHBondContact O-N 3.22Å | ||
| 421 | H | 50.8 | Low | 65 | Low | 164 Ų | 164 | 116.4 Ų | 116.4 | 76% | 0.759 | 60% | 0.596 | S | S | * | * | trans | -70.8 | 123.2 | 161.1 | -83.4 | -74.2 | 0 | 0 | 0 | 107.9 | Q419 | Q419-H421 PolarHBondContact O-N 3.3Š| ||
| 422 | I | 47.6 | Very low | 64.1 | Low | 207 Ų | 207 | 117.7 Ų | 117.7 | 100% | 1.062 | 59% | 0.594 | S | S | * | * | trans | -73.7 | 0 | 173.2 | -64.9 | 173.6 | 0 | 0 | 0 | 109 | K420 | K420-I422 PolarHBondContact O-N 3.22Š|
Retrieved 422 of 422 residues in 747.6 ms
(Link to these results)