| 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 | 39.3 | Very low | 44.7 | Very low | 234 Ų | 234 | 138.1 Ų | 138.1 | 100% | 1.153 | 82% | 0.82 | S | S | * | * | 0 | 147.6 | 0 | -78.6 | 179.3 | 162.8 | 0 | 0 | 108.6 | |||||
| 2 | S | 38.3 | Very low | 45.9 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | 66.3 | 161 | 159.4 | -52 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 3 | F | 41.1 | Very low | 45.6 | Very low | 201 Ų | 201 | 139.5 Ų | 139.5 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | trans | -102.4 | 157.2 | -162.4 | -50.8 | -97.4 | 0 | 0 | 0 | 113.8 | ||||
| 4 | P | 56.5 | Low | 46.2 | Very low | 128 Ų | 128 | 141.9 Ų | 141.9 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | trans | -81.4 | 155.5 | 150 | 35.5 | -31.7 | 0 | 0 | 0 | 111.1 | ||||
| 5 | S | 41.8 | Very low | 46.7 | Very low | 106 Ų | 106 | 141.3 Ų | 141.3 | 74% | 0.741 | 82% | 0.816 | S | S | * | * | trans | -109.4 | 141.3 | -173.8 | -174.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 6 | S | 44.5 | Very low | 46.5 | Very low | 105 Ų | 105 | 140.1 Ų | 140.1 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | 51.1 | 122.6 | 147.1 | 56.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 7 | S | 42.1 | Very low | 46.6 | Very low | 122 Ų | 122 | 139 Ų | 139 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -122.8 | 167.2 | 162.8 | -85.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 8 | P | 59.2 | Low | 46.5 | Very low | 110 Ų | 110 | 138.4 Ų | 138.4 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | trans | -98.6 | 160.6 | -152.5 | 37.4 | -37.1 | 0 | 0 | 0 | 116.5 | ||||
| 9 | V | 41.4 | Very low | 46.5 | Very low | 135 Ų | 135 | 139.9 Ų | 139.9 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -143.5 | 135 | 164.2 | 179.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 10 | T | 43.7 | Very low | 46 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 63% | 0.632 | 80% | 0.803 | S | S | * | * | cis | 85 | 70.5 | 11.5 | 84 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 11 | N | 43.5 | Very low | 45.5 | Very low | 159 Ų | 159 | 134.9 Ų | 134.9 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | 178.2 | 164.9 | 118.2 | -90.3 | -29.3 | 0 | 0 | 0 | 114.7 | |||||
| 12 | P | 59.6 | Low | 45.3 | Very low | 99 Ų | 99 | 128.7 Ų | 128.7 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | trans | -103 | -172.3 | -177.5 | 38.8 | -31 | 0 | 0 | 0 | 114.1 | ||||
| 13 | F | 41.8 | Very low | 45.4 | Very low | 196 Ų | 196 | 133.3 Ų | 133.3 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | 72.6 | 113.3 | -179.2 | -69.6 | -88.9 | 0 | 0 | 0 | 117.4 | ||||
| 14 | L | 53.6 | Low | 45.3 | Very low | 173 Ų | 173 | 130.4 Ų | 130.4 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | -154.1 | 146.1 | 115.5 | -107.6 | 171.2 | 0 | 0 | 0 | 109.6 | |||||
| 15 | V | 54.7 | Low | 44.4 | Very low | 133 Ų | 133 | 130.6 Ų | 130.6 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | trans | -135.9 | 155.5 | 175.8 | 124.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 16 | D | 42.6 | Very low | 44.3 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 65% | 0.647 | 77% | 0.774 | S | S | * | * | trans | 80.4 | 130.5 | 179.9 | -160.9 | 15.2 | 0 | 0 | 0 | 117.1 | L18 | D16-L18 PolarHBondContact OD1-N 3.45Š| ||
| 17 | S | 47.8 | Very low | 44.2 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | -170.8 | 65.5 | 160.2 | -77.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 18 | L | 46.2 | Very low | 44.3 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | trans | 29.1 | 114.1 | 140.6 | -68.4 | 162.7 | 0 | 0 | 0 | 120 | D16 | D16-L18 PolarHBondContact OD1-N 3.45Š| ||
| 19 | I | 44.9 | Very low | 43.4 | Very low | 166 Ų | 166 | 139.2 Ų | 139.2 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | 25.4 | 115.8 | 121.4 | -57.2 | 169 | 0 | 0 | 0 | 116.9 | |||||
| 20 | G | 36.8 | Very low | 43.1 | Very low | 77 Ų | 77 | 139.3 Ų | 139.3 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -158.7 | 94.4 | 173 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 21 | A | 36.9 | Very low | 42.8 | Very low | 97 Ų | 97 | 140 Ų | 140 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | -38.4 | 147.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 22 | C | 35.2 | Very low | 42.9 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 71% | 0.709 | 78% | 0.782 | S | S | * | * | trans | -157.1 | 141.9 | 136 | -112.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 23 | R | 40.4 | Very low | 42.1 | Very low | 213 Ų | 213 | 140.7 Ų | 140.7 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 51 | 98.4 | 157.4 | -49.4 | -57.6 | 131.2 | -169.1 | 1.2 | 119.1 | ||||
| 24 | T | 38.9 | Very low | 42.6 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | trans | -54.2 | 140.1 | 133.9 | 49.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 25 | D | 35.8 | Very low | 43.1 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | -128 | 141 | 164.7 | -142.2 | -40.3 | 0 | 0 | 0 | 109.4 | F27 | D25-F27 WeakPolarHBondContact OD1-CD2 3.37Å; D25-F27 WeakPolarHBondContact OD1-CE2 3.38Å | ||
| 26 | S | 40.4 | Very low | 42.8 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -157.9 | 106 | -167.5 | -173.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 27 | F | 43.3 | Very low | 42.9 | Very low | 182 Ų | 182 | 139.3 Ų | 139.3 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | trans | -120 | 96.5 | 176.3 | -78 | -78.6 | 0 | 0 | 0 | 111.2 | D25 | D25-F27 WeakPolarHBondContact OD1-CD2 3.37Å; D25-F27 WeakPolarHBondContact OD1-CE2 3.38Å | ||
| 28 | Y | 43 | Very low | 42.5 | Very low | 209 Ų | 209 | 137 Ų | 137 | 82% | 0.82 | 78% | 0.783 | S | S | * | * | trans | 26.7 | 121.3 | 146.3 | -90.9 | -100.6 | 0 | 0 | 0 | 119.8 | ||||
| 29 | S | 41.3 | Very low | 42.5 | Very low | 129 Ų | 129 | 135.3 Ų | 135.3 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | trans | -149.2 | 88.3 | 135.5 | -83.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 30 | N | 35.6 | Very low | 42.6 | Very low | 136 Ų | 136 | 134.1 Ų | 134.1 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | 7.5 | 121.5 | 151 | -174.4 | 37.1 | 0 | 0 | 0 | 119.2 | ||||
| 31 | S | 37 | Very low | 42.9 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | -158.7 | 128.6 | 134.2 | -148.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 32 | S | 45 | Very low | 43.4 | Very low | 101 Ų | 101 | 142.9 Ų | 142.9 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | -74.3 | 134.7 | 176.8 | -59.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 33 | M | 42.6 | Very low | 43.6 | Very low | 172 Ų | 172 | 140.7 Ų | 140.7 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | trans | -132.9 | 109.1 | 153.8 | -75.6 | -61.9 | -74.4 | 0 | 0 | 109.1 | ||||
| 34 | Y | 53.7 | Low | 44 | Very low | 206 Ų | 206 | 137.1 Ų | 137.1 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -83 | 120 | 177.6 | 178.2 | -89 | 0 | 0 | 0 | 109.1 | P36 | Y34-P36 HydrophobicContact CE1-CB 4.23Š|
| 35 | M | 62.8 | Low | 44.5 | Very low | 160 Ų | 160 | 140.6 Ų | 140.6 | 79% | 0.788 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 119.1 | 170.8 | -78.4 | -66.9 | -178.1 | 0 | 0 | 109.3 | ||
| 36 | P | 49.2 | Very low | 44.9 | Very low | 96 Ų | 96 | 137.8 Ų | 137.8 | 62% | 0.623 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 143.6 | 176.7 | 30.6 | -33.7 | 0 | 0 | 0 | 110.8 | Y34 | Y34-P36 HydrophobicContact CE1-CB 4.23Š|
| 37 | S | 44.5 | Very low | 45.3 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 131.3 | 164.1 | -169.8 | 0 | 0 | 0 | 0 | 109.1 | ||
| 38 | G | 39.8 | Very low | 45.4 | Very low | 73 Ų | 73 | 140 Ų | 140 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | -142.7 | 112.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 39 | S | 44.7 | Very low | 45.2 | Very low | 94 Ų | 94 | 136 Ų | 136 | 66% | 0.657 | 78% | 0.783 | S | S | * | * | trans | -92.4 | 162.5 | 178.5 | 70.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 40 | D | 47.4 | Very low | 45.1 | Very low | 141 Ų | 141 | 136 Ų | 136 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | trans | 55.3 | 92.1 | 153.8 | -43.8 | -46 | 0 | 0 | 0 | 118.9 | ||||
| 41 | M | 44.5 | Very low | 45.3 | Very low | 178 Ų | 178 | 133.4 Ų | 133.4 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | trans | -147.7 | 149.2 | 140.3 | -116.9 | -57 | 113.3 | 0 | 0 | 113.3 | ||||
| 42 | H | 46 | Very low | 45.6 | Very low | 180 Ų | 180 | 135.5 Ų | 135.5 | 83% | 0.833 | 79% | 0.787 | S | S | * | * | trans | -74.9 | 148.2 | -176.8 | -89.2 | 36 | 0 | 0 | 0 | 113.1 | ||||
| 43 | G | 39.9 | Very low | 45.8 | Very low | 59 Ų | 59 | 138.7 Ų | 138.7 | 61% | 0.608 | 80% | 0.796 | S | S | * | * | trans | -158.6 | 25.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y45 | G43-Y45 PolarHBondContact O-N 3.03Š| ||
| 44 | T | 48 | Very low | 46.1 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -87.1 | 100.9 | -172.1 | -51.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 45 | Y | 49.8 | Very low | 45.5 | Very low | 212 Ų | 212 | 131.8 Ų | 131.8 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | trans | -156.3 | 115.2 | 162.1 | 39.2 | -95.6 | 0 | 0 | 0 | 115.9 | G43 | G43-Y45 PolarHBondContact O-N 3.03Š| ||
| 46 | G | 44.9 | Very low | 44.4 | Very low | 73 Ų | 73 | 133.4 Ų | 133.4 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | 86.4 | 124.5 | 143.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 47 | M | 47.5 | Very low | 44.2 | Very low | 177 Ų | 177 | 132.2 Ų | 132.2 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | 153.2 | 61.6 | 153.1 | -81 | -93.2 | 85.3 | 0 | 0 | 108.6 | ||||
| 48 | Q | 46.8 | Very low | 44.1 | Very low | 156 Ų | 156 | 136.5 Ų | 136.5 | 73% | 0.729 | 80% | 0.802 | S | S | * | * | 66.3 | 92.8 | 93.2 | -64 | -70.4 | 56.2 | 0 | 0 | 116.8 | |||||
| 49 | T | 38.3 | Very low | 44.1 | Very low | 126 Ų | 126 | 143.8 Ų | 143.8 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | 59.2 | 105.2 | 140.8 | 58.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 50 | C | 39.8 | Very low | 43.6 | Very low | 128 Ų | 128 | 142.9 Ų | 142.9 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 139.2 | 155.8 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 51 | G | 38.7 | Very low | 43.2 | Very low | 81 Ų | 81 | 144.1 Ų | 144.1 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 126.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 52 | L | 44.3 | Very low | 42.8 | Very low | 163 Ų | 163 | 142.5 Ų | 142.5 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 153.6 | 163.4 | -91.1 | 67.5 | 0 | 0 | 0 | 110.4 | ||
| 53 | L | 47.9 | Very low | 42.3 | Very low | 168 Ų | 168 | 137 Ų | 137 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | trans | -124.3 | 152.9 | 162.2 | -76.2 | 175.8 | 0 | 0 | 0 | 110.6 | ||||
| 54 | P | 50.6 | Low | 43.1 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | trans | -95.2 | 151.8 | -155.1 | -5.4 | 26.3 | 0 | 0 | 0 | 114.3 | ||||
| 55 | S | 40.1 | Very low | 42.7 | Very low | 122 Ų | 122 | 140 Ų | 140 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -78.8 | 143.3 | 162.8 | -179.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 56 | F | 39.6 | Very low | 42 | Very low | 194 Ų | 194 | 137.5 Ų | 137.5 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | -135.1 | 138.1 | 161.7 | 56 | -94.7 | 0 | 0 | 0 | 109.7 | ||||
| 57 | G | 44.8 | Very low | 42 | Very low | 70 Ų | 70 | 140.6 Ų | 140.6 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | -138.3 | 156.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 58 | K | 42.9 | Very low | 41.5 | Very low | 221 Ų | 221 | 137 Ų | 137 | 96% | 0.961 | 81% | 0.807 | S | S | * | * | trans | -148.7 | 152.7 | 168.3 | -122.4 | 172.9 | -177.2 | 177.4 | 0 | 111.6 | ||||
| 59 | R | 39.2 | Very low | 41.5 | Very low | 227 Ų | 227 | 138.3 Ų | 138.3 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | trans | -103.6 | 147 | -168.5 | 174.2 | -161.5 | -83.8 | -164.4 | -7.4 | 111 | ||||
| 60 | G | 34.3 | Very low | 41.5 | Very low | 75 Ų | 75 | 136.9 Ų | 136.9 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | -154.7 | 143.4 | 158.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 61 | E | 38.6 | Very low | 41.4 | Very low | 166 Ų | 166 | 136.8 Ų | 136.8 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -113.6 | 155.2 | -177.7 | -67.6 | -167.8 | 149.5 | 0 | 0 | 112.5 | ||||
| 62 | V | 36.4 | Very low | 41.3 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 87% | 0.873 | 80% | 0.804 | S | S | * | * | -175 | 141.5 | 113.7 | 153.5 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 63 | G | 36.3 | Very low | 41 | Very low | 64 Ų | 64 | 138.8 Ų | 138.8 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | trans | -102.4 | -157.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 64 | P | 56.2 | Low | 40.7 | Very low | 106 Ų | 106 | 140 Ų | 140 | 69% | 0.688 | 79% | 0.794 | S | S | * | * | cis | -137.4 | -168.3 | 0.4 | 40.8 | -21.7 | 0 | 0 | 0 | 115.2 | ||||
| 65 | Q | 39.7 | Very low | 40.6 | Very low | 157 Ų | 157 | 141.8 Ų | 141.8 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | 71.1 | 99.9 | 159.7 | 81.5 | -123 | -43.3 | 0 | 0 | 121.6 | ||||
| 66 | N | 35.2 | Very low | 41 | Very low | 158 Ų | 158 | 140.8 Ų | 140.8 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | -173.6 | 157 | 99.1 | -105.1 | -77.5 | 0 | 0 | 0 | 112.8 | |||||
| 67 | T | 45.4 | Very low | 40.8 | Very low | 138 Ų | 138 | 138.1 Ų | 138.1 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | trans | -101.6 | 121.9 | 178.6 | 45.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 68 | A | 35.8 | Very low | 40.6 | Very low | 102 Ų | 102 | 143.1 Ų | 143.1 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -153.3 | 145.6 | 157.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 69 | M | 47.8 | Very low | 40.8 | Very low | 184 Ų | 184 | 138.1 Ų | 138.1 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | trans | -99.5 | 140.6 | -179.6 | -61 | -169.5 | 76.3 | 0 | 0 | 111.5 | ||||
| 70 | S | 37 | Very low | 41.2 | Very low | 95 Ų | 95 | 132.9 Ų | 132.9 | 66% | 0.664 | 76% | 0.761 | S | S | * | * | trans | -152.1 | 131.9 | 157.6 | -172.5 | 0 | 0 | 0 | 0 | 109.9 | H72 | S70-H72 PolarHBondContact OG-CD2 3.4Š| ||
| 71 | V | 38.5 | Very low | 41.4 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | -123.4 | 107.7 | 174.5 | 177.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 72 | H | 36.5 | Very low | 41.8 | Very low | 174 Ų | 174 | 139 Ų | 139 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | trans | -112 | 104.3 | 174.8 | -93.6 | -74.6 | 0 | 0 | 0 | 110.8 | S70 | S70-H72 PolarHBondContact OG-CD2 3.4Š| ||
| 73 | S | 39.1 | Very low | 42 | Very low | 112 Ų | 112 | 139.3 Ų | 139.3 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | -71.1 | 128.1 | 160.2 | -58.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 74 | Y | 40.8 | Very low | 42.6 | Very low | 192 Ų | 192 | 141.9 Ų | 141.9 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | trans | -113 | 117.5 | 174.6 | -173.6 | -97.8 | 0 | 0 | 0 | 110.4 | P76 | Y74-P76 HydrophobicContact CE1-CG 4.17Š| ||
| 75 | I | 49.2 | Very low | 41.8 | Very low | 149 Ų | 149 | 141 Ų | 141 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | trans | -118.6 | 130.2 | 169 | -64.2 | 178.7 | 0 | 0 | 0 | 106.5 | ||||
| 76 | P | 48.5 | Very low | 41.7 | Very low | 101 Ų | 101 | 144.4 Ų | 144.4 | 66% | 0.656 | 77% | 0.772 | S | S | * | * | trans | -63.4 | 148.5 | -175.5 | -25.7 | 35.6 | 0 | 0 | 0 | 115.1 | Y74 | Y74-P76 HydrophobicContact CE1-CG 4.17Š| ||
| 77 | Q | 35.6 | Very low | 41.6 | Very low | 139 Ų | 139 | 143.3 Ų | 143.3 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | trans | -81.4 | 148 | -175.9 | 177.9 | 172.5 | -29.9 | 0 | 0 | 112.5 | D79 | Q77-D79 PolarHBondContact NE2-OD1 3.47Š| ||
| 78 | M | 40.1 | Very low | 41.3 | Very low | 174 Ų | 174 | 142.9 Ų | 142.9 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | trans | -116.3 | 111.1 | 167.5 | -73.9 | -97.1 | 68.9 | 0 | 0 | 108.5 | ||||
| 79 | D | 47.2 | Very low | 41.1 | Very low | 116 Ų | 116 | 150 Ų | 150 | 62% | 0.62 | 78% | 0.778 | S | S | * | * | trans | -76.2 | 141.4 | -172.1 | -77.6 | -56.1 | 0 | 0 | 0 | 114.2 | Q77 | Q77-D79 PolarHBondContact NE2-OD1 3.47Š| ||
| 80 | T | 46.1 | Very low | 40.8 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | trans | -104.6 | 123.5 | -174.5 | -62.3 | 0 | 0 | 0 | 0 | 110.4 | T82 | T80-T82 HydrophobicContact CG2-CG2 4.23Š| ||
| 81 | W | 38.9 | Very low | 40.7 | Very low | 248 Ų | 248 | 149.9 Ų | 149.9 | 94% | 0.939 | 78% | 0.779 | S | S | * | * | trans | -95.2 | 112.1 | 174.4 | -68.9 | 90.8 | 0 | 0 | 0 | 110.7 | ||||
| 82 | T | 46.5 | Very low | 40.4 | Very low | 123 Ų | 123 | 152.2 Ų | 152.2 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -115 | 146.4 | 172.7 | 41 | 0 | 0 | 0 | 0 | 111.7 | T80 | T80-T82 HydrophobicContact CG2-CG2 4.23Š| ||
| 83 | D | 41.3 | Very low | 40.7 | Very low | 149 Ų | 149 | 152.5 Ų | 152.5 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -87.6 | 128.8 | -173.8 | 179.1 | 41.2 | 0 | 0 | 0 | 112.4 | ||||
| 84 | P | 48.2 | Very low | 40.5 | Very low | 118 Ų | 118 | 152.1 Ų | 152.1 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | trans | -89.7 | 112.5 | 177.2 | 33.5 | -31.7 | 0 | 0 | 0 | 112.3 | ||||
| 85 | S | 39.8 | Very low | 40.2 | Very low | 88 Ų | 88 | 150.1 Ų | 150.1 | 62% | 0.615 | 79% | 0.785 | S | S | * | * | trans | -92.8 | 159.4 | 174.7 | 64.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 86 | R | 39.2 | Very low | 39.3 | Very low | 229 Ų | 229 | 149 Ų | 149 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | 79.5 | 151.4 | 178 | -43.6 | 164 | -170.9 | -95.1 | -1.9 | 113.4 | ||||
| 87 | T | 32.8 | Very low | 38.7 | Very low | 134 Ų | 134 | 150.4 Ų | 150.4 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | cis | -143.2 | 152.5 | 12.3 | -41.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 88 | C | 37.8 | Very low | 39.1 | Very low | 130 Ų | 130 | 152.8 Ų | 152.8 | 88% | 0.878 | 80% | 0.804 | S | S | * | * | trans | -72.1 | 142.5 | 175.9 | -53.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 89 | R | 33.1 | Very low | 39.6 | Very low | 251 Ų | 251 | 150 Ų | 150 | 95% | 0.947 | 80% | 0.8 | S | S | * | * | trans | -143.4 | 144.1 | 157.4 | -165.6 | 170.4 | -174.4 | 156.6 | 2.6 | 108.9 | ||||
| 90 | A | 41.1 | Very low | 39.8 | Very low | 85 Ų | 85 | 153.3 Ų | 153.3 | 70% | 0.702 | 81% | 0.811 | S | S | * | * | trans | -103 | 167.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 91 | E | 34.8 | Very low | 39.5 | Very low | 191 Ų | 191 | 153.1 Ų | 153.1 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | trans | 67.8 | 144.5 | -177.8 | -48.5 | -158.9 | 146.4 | 0 | 0 | 113.3 | ||||
| 92 | Q | 31.8 | Very low | 39.6 | Very low | 176 Ų | 176 | 147.8 Ų | 147.8 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | cis | -149.9 | 155.5 | 36.5 | -171.5 | 175.8 | 44.3 | 0 | 0 | 112.2 | ||||
| 93 | M | 42.1 | Very low | 39.6 | Very low | 181 Ų | 181 | 151.5 Ų | 151.5 | 89% | 0.892 | 81% | 0.809 | S | S | * | * | trans | -73.7 | 128.2 | 176.3 | -155.6 | 98 | 72.8 | 0 | 0 | 111 | ||||
| 94 | S | 35.3 | Very low | 40 | Very low | 104 Ų | 104 | 151.9 Ų | 151.9 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -151.8 | 151.7 | 168.7 | 56.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 95 | N | 35.2 | Very low | 40 | Very low | 149 Ų | 149 | 155.2 Ų | 155.2 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -90.7 | 130.8 | -163.6 | -62.9 | -3.4 | 0 | 0 | 0 | 112.8 | T97 | N95-T97 PolarHBondContact O-N 3.15Å; N95-T97 VanDerWaalsContact O-N 3.15Å | ||
| 96 | C | 29.6 | Very low | 40.2 | Very low | 125 Ų | 125 | 155.9 Ų | 155.9 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | trans | -80.8 | 89.7 | 174.9 | -60.1 | 0 | 0 | 0 | 0 | 111.9 | F98 | C96-F98 PolarHBondContact O-N 3.41Š| ||
| 97 | T | 35.7 | Very low | 40 | Very low | 132 Ų | 132 | 152.8 Ų | 152.8 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 124.6 | 171.1 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | N95 | N95-T97 PolarHBondContact O-N 3.15Å; N95-T97 VanDerWaalsContact O-N 3.15Å |
| 98 | F | 44.9 | Very low | 40.1 | Very low | 188 Ų | 188 | 151.6 Ų | 151.6 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 135.5 | 171 | -96.3 | -100.4 | 0 | 0 | 0 | 111.3 | C96 | C96-F98 PolarHBondContact O-N 3.41Š|
| 99 | P | 50.2 | Low | 40.7 | Very low | 117 Ų | 117 | 151.1 Ų | 151.1 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 127.5 | 164.8 | 30.5 | -31.8 | 0 | 0 | 0 | 110.2 | ||
| 100 | Q | 50.6 | Low | 41.2 | Very low | 184 Ų | 184 | 147.1 Ų | 147.1 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -99.6 | 106.2 | -178.2 | 180 | -178.9 | -1.7 | 0 | 0 | 110.8 | ||||
| 101 | S | 41.2 | Very low | 41.2 | Very low | 113 Ų | 113 | 153.9 Ų | 153.9 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | -150.5 | 79.7 | 166.4 | 47.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 102 | I | 41 | Very low | 41.4 | Very low | 137 Ų | 137 | 149.1 Ų | 149.1 | 70% | 0.703 | 80% | 0.8 | S | S | * | * | trans | -68.4 | 135.2 | 166.8 | -66.6 | 167.7 | 0 | 0 | 0 | 108.5 | E104 | I102-E104 HydrophobicContact CG2-CG 3.78Š| ||
| 103 | K | 46.5 | Very low | 41.9 | Very low | 201 Ų | 201 | 146.6 Ų | 146.6 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -128.5 | 112.5 | 146 | -169 | 174.3 | -177.2 | -176.9 | 0 | 108.2 | ||||
| 104 | E | 48.9 | Very low | 41.9 | Very low | 156 Ų | 156 | 146.9 Ų | 146.9 | 73% | 0.729 | 79% | 0.789 | S | S | * | * | trans | -71.6 | 132.7 | 174.7 | -69.4 | 163.2 | 98.8 | 0 | 0 | 110.1 | I102 | I102-E104 HydrophobicContact CG2-CG 3.78Š| ||
| 105 | E | 48.5 | Very low | 42.1 | Very low | 188 Ų | 188 | 151.8 Ų | 151.8 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | trans | -126.7 | 87.4 | 144.1 | 57.3 | -168.6 | 161.7 | 0 | 0 | 108.3 | N107 | E105-N107 PolarHBondContact O-N 3.05Š| ||
| 106 | S | 44 | Very low | 42.1 | Very low | 102 Ų | 102 | 151.1 Ų | 151.1 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | trans | -70.4 | 119.6 | 174.3 | 42.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 107 | N | 35.3 | Very low | 42.3 | Very low | 164 Ų | 164 | 153.3 Ų | 153.3 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | -131.9 | 139.6 | 165.2 | -109.3 | -62.3 | 0 | 0 | 0 | 111 | E105 | E105-N107 PolarHBondContact O-N 3.05Š| ||
| 108 | C | 34.6 | Very low | 42.1 | Very low | 110 Ų | 110 | 155.2 Ų | 155.2 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | -90.5 | 158.7 | -148.2 | -161.3 | 0 | 0 | 0 | 0 | 114.1 | M110 | C108-M110 PolarHBondContact O-N 2.83Š| ||
| 109 | C | 50.6 | Low | 41.5 | Very low | 120 Ų | 120 | 154.4 Ų | 154.4 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -62.7 | 104.2 | 171 | -173.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 110 | M | 44 | Very low | 40.7 | Very low | 167 Ų | 167 | 152.5 Ų | 152.5 | 82% | 0.823 | 79% | 0.788 | S | S | * | * | trans | -128.5 | 71.7 | 179.2 | -83.8 | -68.4 | -157.3 | 0 | 0 | 111.6 | C108 | C108-M110 PolarHBondContact O-N 2.83Š| ||
| 111 | Y | 40 | Very low | 39.9 | Very low | 226 Ų | 226 | 155 Ų | 155 | 89% | 0.886 | 79% | 0.791 | S | S | * | * | -162.1 | 121.2 | 122.7 | -126.1 | -90.8 | 0 | 0 | 0 | 110.5 | |||||
| 112 | S | 39.2 | Very low | 39.8 | Very low | 92 Ų | 92 | 154.7 Ų | 154.7 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | trans | -93.4 | 153.2 | -178.6 | 43 | 0 | 0 | 0 | 0 | 112.7 | K114 | S112-K114 PolarHBondContact O-N 2.85Š| ||
| 113 | D | 42.8 | Very low | 39.6 | Very low | 123 Ų | 123 | 155.6 Ų | 155.6 | 66% | 0.658 | 80% | 0.795 | S | S | * | * | trans | -60.4 | 129.9 | 177.6 | -166.3 | -39.6 | 0 | 0 | 0 | 110.4 | R115 | D113-R115 IonicContact OD1-NE 3.71Å; D113-R115 IonicContact OD2-NH2 2.68Å | ||
| 114 | K | 43.1 | Very low | 39.4 | Very low | 187 Ų | 187 | 152.7 Ų | 152.7 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | -137.7 | 106.1 | 169.8 | -69.9 | -168.3 | 179.8 | -177.1 | 0 | 110.2 | S112 | S112-K114 PolarHBondContact O-N 2.85Š| ||
| 115 | R | 38.9 | Very low | 38.9 | Very low | 207 Ų | 207 | 153.8 Ų | 153.8 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | trans | -113.9 | 136.9 | 161.6 | -80.3 | 177.8 | -84.5 | 170.9 | -8.3 | 109.2 | D113 | D113-R115 IonicContact OD1-NE 3.71Å; D113-R115 IonicContact OD2-NH2 2.68Å | ||
| 116 | V | 34.9 | Very low | 38.3 | Very low | 135 Ų | 135 | 148.2 Ų | 148.2 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | 158.5 | 150.1 | 147.2 | 156.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 117 | Q | 33.5 | Very low | 37.9 | Very low | 170 Ų | 170 | 152.2 Ų | 152.2 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | -22.8 | 162.2 | 171.3 | -59.8 | 173.6 | -2.8 | 0 | 0 | 118.1 | ||||
| 118 | K | 32.3 | Very low | 38.4 | Very low | 173 Ų | 173 | 149.6 Ų | 149.6 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | cis | -157.4 | -178.9 | 33.4 | -155.1 | 172.1 | 175.7 | -173.6 | 0 | 113.6 | ||||
| 119 | E | 31.7 | Very low | 38.2 | Very low | 171 Ų | 171 | 150.6 Ų | 150.6 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | trans | -65.7 | 156.5 | 179.1 | -53.7 | 134.3 | 127.2 | 0 | 0 | 114.4 | ||||
| 120 | G | 32.9 | Very low | 37.9 | Very low | 77 Ų | 77 | 149.8 Ų | 149.8 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | 177.4 | 121.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 121 | Y | 34.2 | Very low | 37.8 | Very low | 235 Ų | 235 | 148.2 Ų | 148.2 | 92% | 0.922 | 80% | 0.803 | S | S | * | * | trans | -82.9 | 136.6 | 173.8 | -86 | -102.3 | 0 | 0 | 0 | 111.3 | ||||
| 122 | S | 38.6 | Very low | 37.7 | Very low | 107 Ų | 107 | 145.9 Ų | 145.9 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -157.8 | 135.1 | 140.7 | 54.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 123 | N | 38.2 | Very low | 37.9 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | trans | -101.6 | 132.6 | 164.7 | -74.8 | -46.5 | 0 | 0 | 0 | 107.6 | ||||
| 124 | V | 40.6 | Very low | 38.2 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | trans | -147.1 | 134.1 | 162 | -109.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 125 | I | 38.4 | Very low | 38.5 | Very low | 180 Ų | 180 | 144.9 Ų | 144.9 | 92% | 0.923 | 81% | 0.812 | S | S | * | * | trans | -95 | 139.5 | 176.2 | -68.2 | 169.6 | 0 | 0 | 0 | 108 | ||||
| 126 | G | 36.7 | Very low | 39.3 | Very low | 71 Ų | 71 | 141.9 Ų | 141.9 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | trans | -143.7 | 140.3 | 173 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 127 | E | 36.2 | Very low | 40.4 | Very low | 186 Ų | 186 | 141.3 Ų | 141.3 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 160.5 | -177.7 | -92.7 | -93.2 | 101.6 | 0 | 0 | 113.5 | ||
| 128 | P | 44.4 | Very low | 41.4 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 71% | 0.708 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 134.8 | -174.2 | 33.9 | -32.4 | 0 | 0 | 0 | 113 | ||
| 129 | C | 30.9 | Very low | 42.4 | Very low | 131 Ų | 131 | 134.8 Ų | 134.8 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 133.8 | 163.1 | -78.3 | 0 | 0 | 0 | 0 | 110.6 | ||
| 130 | A | 45.1 | Very low | 43.6 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 120.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 131 | V | 40.5 | Very low | 44.4 | Very low | 134 Ų | 134 | 136 Ų | 136 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | trans | -141.9 | 140.7 | 169.1 | 175 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 132 | E | 38.4 | Very low | 45 | Very low | 177 Ų | 177 | 134.2 Ų | 134.2 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | trans | -25.8 | 138.2 | 168.4 | -68.8 | -63 | 149.9 | 0 | 0 | 116.9 | ||||
| 133 | G | 43.1 | Very low | 45.8 | Very low | 61 Ų | 61 | 140.9 Ų | 140.9 | 63% | 0.629 | 80% | 0.801 | S | S | * | * | trans | -107 | 138 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 134 | P | 50.4 | Low | 46.6 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 126 | 173 | 30.4 | -32.7 | 0 | 0 | 0 | 111 | I136 | P134-I136 PolarHBondContact O-N 3Š|
| 135 | E | 48.3 | Very low | 46.6 | Very low | 197 Ų | 197 | 140.4 Ų | 140.4 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 128.1 | 176.4 | -72.2 | -160.4 | 129.3 | 0 | 0 | 112.1 | ||
| 136 | I | 55.9 | Low | 46.9 | Very low | 144 Ų | 144 | 141.1 Ų | 141.1 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 121 | 167.5 | -60 | 173.8 | 0 | 0 | 0 | 107.6 | P134 V138 | P134-I136 PolarHBondContact O-N 3Å; I136-V138 PolarHBondContact O-N 2.87Å |
| 137 | P | 59.3 | Low | 47.3 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | trans | -71.8 | 100.4 | -177.2 | 27.9 | -34.1 | 0 | 0 | 0 | 111.3 | ||||
| 138 | V | 52.5 | Low | 47.1 | Very low | 127 Ų | 127 | 145.5 Ų | 145.5 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | -74.1 | 126.4 | 176.9 | -177.6 | 0 | 0 | 0 | 0 | 110.3 | I136 G140 | I136-V138 PolarHBondContact O-N 2.87Å; V138-G140 PolarHBondContact O-N 2.77Å | ||
| 139 | P | 55.2 | Low | 47 | Very low | 80 Ų | 80 | 145.2 Ų | 145.2 | 52% | 0.519 | 81% | 0.81 | S | S | . | * | trans | -56 | 129.1 | -179.1 | -30.1 | 37.5 | 0 | 0 | 0 | 114.4 | Y141 | P139-Y141 VanDerWaalsContact C-N 3.31Å; P139-Y141 HydrophobicContact CB-CD2 4.05Å; P139-Y141 HydrophobicContact CB-CE1 4.43Å; P139-Y141 HydrophobicContact CB-CE2 3.42Å; P139-Y141 VanDerWaalsContact CB-CE2 3.42Å; P139-Y141 HydrophobicContact CG-CE2 4.48Å; P139-Y141 PolarHBondContact O-N 2.85Å | ||
| 140 | G | 55.7 | Low | 47 | Very low | 79 Ų | 79 | 146.6 Ų | 146.6 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -76.5 | 57 | -165.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | V138 | V138-G140 PolarHBondContact O-N 2.77Š|
| 141 | Y | 49.6 | Very low | 46.6 | Very low | 195 Ų | 195 | 145 Ų | 145 | 77% | 0.765 | 80% | 0.803 | S | S | * | * | trans | -96.7 | -1 | 178.9 | -43.4 | -51.5 | 0 | 0 | 0 | 114.7 | P139 | P139-Y141 VanDerWaalsContact C-N 3.31Å; P139-Y141 HydrophobicContact CB-CD2 4.05Å; P139-Y141 HydrophobicContact CB-CE1 4.43Å; P139-Y141 HydrophobicContact CB-CE2 3.42Å; P139-Y141 VanDerWaalsContact CB-CE2 3.42Å; P139-Y141 HydrophobicContact CG-CE2 4.48Å; P139-Y141 PolarHBondContact O-N 2.85Å | ||
| 142 | F | 48 | Very low | 46.4 | Very low | 197 Ų | 197 | 148.7 Ų | 148.7 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -139.6 | 77.4 | 179.9 | -82.2 | -81.2 | 0 | 0 | 0 | 113 | ||||
| 143 | R | 54.8 | Low | 46 | Very low | 246 Ų | 246 | 148.6 Ų | 148.6 | 93% | 0.928 | 81% | 0.807 | S | S | * | * | trans | -121.3 | 104 | 152.1 | -82.3 | -163.2 | 179.8 | -137 | 5.1 | 108.9 | ||||
| 144 | L | 54 | Low | 46 | Very low | 172 Ų | 172 | 150 Ų | 150 | 90% | 0.901 | 81% | 0.805 | S | S | * | * | trans | -122.3 | 59.9 | 179.7 | -159.1 | 80.3 | 0 | 0 | 0 | 111.5 | ||||
| 145 | S | 40.8 | Very low | 45.3 | Very low | 114 Ų | 114 | 151.6 Ų | 151.6 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -163.9 | 109.5 | 168.2 | 42.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 146 | Q | 44.6 | Very low | 44.6 | Very low | 195 Ų | 195 | 148.9 Ų | 148.9 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | trans | -148 | 67.6 | 166 | -168.8 | -177.1 | 91 | 0 | 0 | 110 | ||||
| 147 | T | 45 | Very low | 43.6 | Very low | 121 Ų | 121 | 151.9 Ų | 151.9 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | -148 | 85.6 | 172.1 | 34.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 148 | Y | 32.8 | Very low | 42.3 | Very low | 229 Ų | 229 | 152 Ų | 152 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | 163.1 | 139.5 | 121.3 | -92.5 | -72.2 | 0 | 0 | 0 | 109.8 | |||||
| 149 | A | 41.4 | Very low | 41.5 | Very low | 102 Ų | 102 | 154 Ų | 154 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -77.6 | 131.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 150 | N | 32.2 | Very low | 40.5 | Very low | 161 Ų | 161 | 157.6 Ų | 157.6 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | trans | -107.2 | 115.5 | 164.8 | -159.5 | 35.9 | 0 | 0 | 0 | 108.4 | ||||
| 151 | G | 36.8 | Very low | 40.2 | Very low | 70 Ų | 70 | 159.5 Ų | 159.5 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | -69 | 137.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 152 | K | 36.3 | Very low | 40.5 | Very low | 210 Ų | 210 | 155 Ų | 155 | 91% | 0.913 | 80% | 0.803 | S | S | * | * | trans | -79.7 | 132 | 170 | -65.5 | -176.3 | 178.6 | -176.2 | 0 | 109.4 | ||||
| 153 | H | 29.9 | Very low | 40 | Very low | 176 Ų | 176 | 151.2 Ų | 151.2 | 82% | 0.815 | 80% | 0.8 | S | S | * | * | trans | -116 | 113.3 | 167.3 | -174.2 | -66.5 | 0 | 0 | 0 | 109.2 | ||||
| 154 | P | 42.1 | Very low | 39.9 | Very low | 90 Ų | 90 | 145.1 Ų | 145.1 | 58% | 0.584 | 79% | 0.793 | S | S | * | * | trans | -91.4 | 148.1 | 170.7 | 35 | -31 | 0 | 0 | 0 | 112.1 | ||||
| 155 | E | 36.3 | Very low | 39.4 | Very low | 156 Ų | 156 | 144.5 Ų | 144.5 | 73% | 0.729 | 79% | 0.79 | S | S | * | * | trans | 26.3 | 119.6 | 151.1 | -38.6 | -42.6 | 107.3 | 0 | 0 | 120.2 | ||||
| 156 | N | 32.6 | Very low | 39.9 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | 171.1 | 143.1 | 109.8 | -95.4 | -75.9 | 0 | 0 | 0 | 115.2 | |||||
| 157 | Y | 35.9 | Very low | 39.8 | Very low | 208 Ų | 208 | 142.6 Ų | 142.6 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | trans | 18.3 | 123.2 | 155 | -87.7 | -96.9 | 0 | 0 | 0 | 122.2 | ||||
| 158 | C | 32.1 | Very low | 39.4 | Very low | 125 Ų | 125 | 144.9 Ų | 144.9 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | -162 | 173.5 | 99.3 | -150.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 159 | Q | 35.1 | Very low | 39.8 | Very low | 169 Ų | 169 | 138 Ų | 138 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -116.1 | 158.9 | 179.7 | -70.1 | 178.3 | -30.5 | 0 | 0 | 112.5 | ||||
| 160 | E | 34.9 | Very low | 39.8 | Very low | 155 Ų | 155 | 142.2 Ų | 142.2 | 72% | 0.724 | 79% | 0.789 | S | S | * | * | trans | 4.4 | 148.7 | 149.2 | -79.6 | -83.5 | 85.5 | 0 | 0 | 120.1 | P162 | E160-P162 WeakPolarHBondContact OE2-CD 3.34Š| ||
| 161 | P | 49.4 | Very low | 40 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | cis | -141.4 | 177.4 | 43.2 | 38.8 | -18.8 | 0 | 0 | 0 | 117.5 | ||||
| 162 | P | 55.6 | Low | 39.9 | Very low | 102 Ų | 102 | 144.5 Ų | 144.5 | 66% | 0.662 | 79% | 0.792 | S | S | * | * | trans | -106.1 | 161.6 | -174.2 | 38.9 | -30.6 | 0 | 0 | 0 | 114.3 | E160 | E160-P162 WeakPolarHBondContact OE2-CD 3.34Š| ||
| 163 | S | 38.3 | Very low | 39.8 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | -148.3 | 160.1 | 165.7 | 74.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 164 | P | 51.7 | Low | 40 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | trans | -104.8 | 153.2 | -150.4 | 38 | -35.3 | 0 | 0 | 0 | 116.5 | ||||
| 165 | N | 43.8 | Very low | 40.1 | Very low | 160 Ų | 160 | 145.2 Ų | 145.2 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 131.7 | 165.6 | -67.4 | -40.4 | 0 | 0 | 0 | 111.1 | ||
| 166 | P | 51.4 | Low | 40.5 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 156.9 | 174.2 | 33.3 | -34.6 | 0 | 0 | 0 | 113.1 | ||
| 167 | T | 42.3 | Very low | 40.6 | Very low | 139 Ų | 139 | 146.5 Ų | 146.5 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 127 | -172.6 | -53.7 | 0 | 0 | 0 | 0 | 113.2 | ||
| 168 | L | 37.1 | Very low | 41 | Very low | 170 Ų | 170 | 142.4 Ų | 142.4 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | trans | -163.3 | 146.6 | 152.2 | -101.3 | 161.1 | 0 | 0 | 0 | 107.3 | ||||
| 169 | A | 41.1 | Very low | 41.1 | Very low | 85 Ų | 85 | 145 Ų | 145 | 70% | 0.702 | 81% | 0.807 | S | S | * | * | cis | -136.9 | 158 | 6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 170 | Q | 40.4 | Very low | 41.1 | Very low | 189 Ų | 189 | 145.6 Ų | 145.6 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -78.5 | 150.5 | 164.4 | -59.3 | 174.4 | -75.8 | 0 | 0 | 110.3 | ||||
| 171 | L | 37.3 | Very low | 41.2 | Very low | 176 Ų | 176 | 141.9 Ų | 141.9 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -152.8 | 149.9 | 138 | -110.3 | 160.4 | 0 | 0 | 0 | 109.3 | ||||
| 172 | S | 34.2 | Very low | 40.4 | Very low | 103 Ų | 103 | 143 Ų | 143 | 72% | 0.72 | 81% | 0.81 | S | S | * | * | trans | -110.6 | 135.4 | -153.8 | 56 | 0 | 0 | 0 | 0 | 115 | ||||
| 173 | R | 34.8 | Very low | 39.3 | Very low | 230 Ų | 230 | 142.9 Ų | 142.9 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | trans | 25.5 | 122.5 | 130.4 | -178.6 | -160.9 | -70.5 | 166.3 | -4.3 | 117.1 | ||||
| 174 | V | 33.1 | Very low | 39.3 | Very low | 128 Ų | 128 | 142.9 Ų | 142.9 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | -170.9 | 144.2 | 123.2 | 138.5 | 0 | 0 | 0 | 0 | 111 | |||||
| 175 | T | 45.6 | Very low | 38.5 | Very low | 133 Ų | 133 | 142 Ų | 142 | 82% | 0.816 | 82% | 0.815 | S | S | * | * | trans | -114.4 | 150.7 | 166.4 | 48.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 176 | P | 43 | Very low | 38.2 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -124 | 169 | 151.7 | 7.1 | 15.3 | 0 | 0 | 0 | 113.6 | ||||
| 177 | K | 35.3 | Very low | 37.5 | Very low | 197 Ų | 197 | 138.5 Ų | 138.5 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | trans | -113.2 | 145.9 | -174.5 | -175.2 | 177.9 | -179.8 | 178.7 | 0 | 109.7 | ||||
| 178 | P | 43.9 | Very low | 37.4 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | -89 | 138.3 | -171.4 | 33.4 | -35 | 0 | 0 | 0 | 114.1 | ||||
| 179 | Q | 35.2 | Very low | 37.3 | Very low | 179 Ų | 179 | 134.5 Ų | 134.5 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | trans | -150.5 | 135 | 163.2 | -67.7 | -168.4 | -50.1 | 0 | 0 | 111.4 | ||||
| 180 | H | 34.9 | Very low | 36.9 | Very low | 183 Ų | 183 | 133.3 Ų | 133.3 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | trans | 25.6 | 149.2 | 143.7 | -59.5 | -90.2 | 0 | 0 | 0 | 121.7 | ||||
| 181 | A | 37.2 | Very low | 36.4 | Very low | 77 Ų | 77 | 133.9 Ų | 133.9 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | cis | -161.9 | 174.3 | 17.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 182 | T | 32.3 | Very low | 36.3 | Very low | 140 Ų | 140 | 129.6 Ų | 129.6 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | 58.4 | 115.8 | 147.7 | 52.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 183 | A | 32.4 | Very low | 36.3 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | -156.9 | 142.3 | 118.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 184 | S | 37.4 | Very low | 36.2 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -55.3 | 163.3 | 176.5 | 47 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 185 | S | 35.9 | Very low | 36.3 | Very low | 99 Ų | 99 | 129.7 Ų | 129.7 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | cis | -165.2 | 144 | 45.2 | 56.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 186 | S | 37.2 | Very low | 35.7 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | 42.6 | 145.7 | 139.8 | 64.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 187 | S | 37.1 | Very low | 35.1 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | cis | -159 | 143 | 24.5 | 56 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 188 | S | 39.1 | Very low | 34.9 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | 16.8 | 152.5 | 143.9 | 57.7 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 189 | S | 35.5 | Very low | 34.3 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | cis | -132.8 | 174.2 | 23.1 | 60 | 0 | 0 | 0 | 0 | 113 | ||||
| 190 | G | 32.9 | Very low | 34.3 | Very low | 59 Ų | 59 | 133.3 Ų | 133.3 | 61% | 0.608 | 79% | 0.785 | S | S | * | * | cis | 97.7 | 125.1 | 18.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 191 | F | 30 | Very low | 35.2 | Very low | 201 Ų | 201 | 130 Ų | 130 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | cis | -133.9 | 151.9 | 20.4 | -74.7 | -101.3 | 0 | 0 | 0 | 110.3 | ||||
| 192 | A | 36.2 | Very low | 34.9 | Very low | 86 Ų | 86 | 134.5 Ų | 134.5 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | 59.6 | 148.9 | 68.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 193 | E | 32.5 | Very low | 34.9 | Very low | 188 Ų | 188 | 134.4 Ų | 134.4 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | cis | 173.4 | 144.2 | -23.7 | 173.8 | 172.7 | -163.3 | 0 | 0 | 107.7 | ||||
| 194 | A | 32.7 | Very low | 35 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | 162.6 | 154.8 | 150.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 195 | E | 35.3 | Very low | 34.7 | Very low | 175 Ų | 175 | 136.6 Ų | 136.6 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -104 | 161.4 | 178.5 | -44.9 | -179.9 | 119.5 | 0 | 0 | 114.5 | ||||
| 196 | K | 33 | Very low | 34.5 | Very low | 194 Ų | 194 | 137.3 Ų | 137.3 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | -169.9 | 140.5 | 113.1 | -114.9 | 175.8 | 179.6 | 173.2 | 0 | 116.7 | |||||
| 197 | N | 30.7 | Very low | 34.3 | Very low | 134 Ų | 134 | 138 Ų | 138 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | trans | -9.6 | 145.6 | 153.2 | -70.8 | -95.2 | 0 | 0 | 0 | 120.1 | ||||
| 198 | V | 32 | Very low | 34.7 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | 179.3 | 127.1 | 108.1 | 147 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 199 | R | 31.5 | Very low | 34.3 | Very low | 229 Ų | 229 | 141.2 Ų | 141.2 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | 52.5 | 121.9 | 153.9 | -66.5 | 171.7 | -161 | 173.5 | 4.4 | 123.6 | ||||
| 200 | D | 34.7 | Very low | 34.4 | Very low | 157 Ų | 157 | 147.5 Ų | 147.5 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | -99.9 | -178.9 | 125.5 | -77 | -58.1 | 0 | 0 | 0 | 109 | |||||
| 201 | P | 53.7 | Low | 34.3 | Very low | 114 Ų | 114 | 147.7 Ų | 147.7 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | cis | -122.2 | -174.9 | -23.7 | 39.8 | -26.4 | 0 | 0 | 0 | 111.9 | ||||
| 202 | E | 31.7 | Very low | 34.4 | Very low | 170 Ų | 170 | 147.5 Ų | 147.5 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -165.1 | 162.4 | 132.2 | -124 | 174.3 | -138.2 | 0 | 0 | 114.4 | ||||
| 203 | T | 31.1 | Very low | 34.5 | Very low | 138 Ų | 138 | 148.4 Ų | 148.4 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | trans | -144 | 111 | -178.4 | -65.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 204 | I | 34.7 | Very low | 35.3 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | trans | -144.8 | 131.5 | 168.3 | -25.3 | 176.5 | 0 | 0 | 0 | 113.1 | ||||
| 205 | T | 30.4 | Very low | 35.5 | Very low | 123 Ų | 123 | 146.9 Ų | 146.9 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -73.5 | 146.5 | 163.8 | -55.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 206 | S | 32.6 | Very low | 36.4 | Very low | 114 Ų | 114 | 144 Ų | 144 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -149.5 | 108.1 | 164.2 | -78 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 207 | T | 32.8 | Very low | 36.5 | Very low | 127 Ų | 127 | 141.7 Ų | 141.7 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -105 | 139.1 | 158.6 | 45.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 208 | P | 44.8 | Very low | 36.7 | Very low | 132 Ų | 132 | 144.6 Ų | 144.6 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | trans | -97.9 | 116.5 | 164.8 | 32.8 | -25.9 | 0 | 0 | 0 | 109.8 | ||||
| 209 | N | 32.1 | Very low | 36.7 | Very low | 156 Ų | 156 | 144.5 Ų | 144.5 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | -109.3 | 128.6 | 169.1 | -170.5 | 6.9 | 0 | 0 | 0 | 109.1 | ||||
| 210 | R | 36.6 | Very low | 36.5 | Very low | 241 Ų | 241 | 137.1 Ų | 137.1 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | -136.3 | 99.8 | 173 | -168.1 | 179 | -161.9 | -115.1 | 2.1 | 107.5 | ||||
| 211 | G | 30.7 | Very low | 36.4 | Very low | 62 Ų | 62 | 134.8 Ų | 134.8 | 64% | 0.639 | 79% | 0.793 | S | S | * | * | trans | -95.3 | 170.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 212 | E | 32 | Very low | 35.4 | Very low | 197 Ų | 197 | 137.8 Ų | 137.8 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | -144.2 | 166 | 157.6 | -123.6 | 167.8 | 110.8 | 0 | 0 | 109 | ||||
| 213 | S | 38.6 | Very low | 35.5 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -144.8 | 155.6 | -171.6 | -156.9 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 214 | P | 50.2 | Low | 35.6 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | cis | -143.7 | -172.4 | 31 | 41.4 | -20 | 0 | 0 | 0 | 117.3 | ||||
| 215 | D | 37.1 | Very low | 35.3 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | -59.7 | 178.3 | 166.6 | -55.3 | -87.3 | 0 | 0 | 0 | 114.2 | ||||
| 216 | P | 53.9 | Low | 35.4 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | cis | -131.8 | -176.6 | -2.6 | 37.1 | -18.8 | 0 | 0 | 0 | 114.6 | ||||
| 217 | V | 34.8 | Very low | 35.5 | Very low | 147 Ų | 147 | 138 Ų | 138 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | -179.6 | 155.5 | 125.2 | 146.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 218 | K | 35 | Very low | 35.6 | Very low | 194 Ų | 194 | 137.7 Ų | 137.7 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | -97.6 | 134.6 | -166.8 | 158.6 | -161.7 | 173.6 | -172.4 | 0 | 114.6 | ||||
| 219 | S | 31.1 | Very low | 35.4 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -174 | 157.2 | 144 | -98.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 220 | G | 28.4 | Very low | 36 | Very low | 74 Ų | 74 | 134.6 Ų | 134.6 | 76% | 0.763 | 78% | 0.78 | S | S | * | * | cis | 92.3 | 118.6 | 39.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 221 | S | 32 | Very low | 35.9 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | cis | -155.9 | -177.4 | 13.6 | 55.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 222 | E | 33.1 | Very low | 36.3 | Very low | 177 Ų | 177 | 136.9 Ų | 136.9 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | -13.4 | 151.8 | 144.2 | -60.1 | 153.8 | -171.6 | 0 | 0 | 116.2 | ||||
| 223 | E | 33.2 | Very low | 36.6 | Very low | 151 Ų | 151 | 135.5 Ų | 135.5 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | cis | -160.6 | -168.1 | 14.8 | -138.6 | -162.4 | 168.3 | 0 | 0 | 108.8 | ||||
| 224 | K | 34.1 | Very low | 36.7 | Very low | 138 Ų | 138 | 140.5 Ų | 140.5 | 60% | 0.6 | 79% | 0.792 | S | S | * | * | cis | -163.8 | 152.4 | 4.2 | -162.3 | 178.7 | -159.8 | 72 | 0 | 110.8 | ||||
| 225 | T | 28.6 | Very low | 35.8 | Very low | 116 Ų | 116 | 142 Ų | 142 | 71% | 0.712 | 79% | 0.788 | S | S | * | * | trans | 60.2 | 165.3 | 158.6 | 31.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 226 | E | 32.4 | Very low | 35.9 | Very low | 186 Ų | 186 | 137.9 Ų | 137.9 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | cis | -140.1 | 177.3 | 1.5 | -148.8 | 160.1 | -143.9 | 0 | 0 | 111.5 | ||||
| 227 | A | 34.6 | Very low | 35.5 | Very low | 98 Ų | 98 | 139.9 Ų | 139.9 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -94.9 | 143.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 228 | S | 33.8 | Very low | 35.7 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | -159 | 147.8 | 143.3 | -164.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 229 | S | 41 | Very low | 36.1 | Very low | 100 Ų | 100 | 136.8 Ų | 136.8 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | trans | -120.8 | 143.9 | 173.8 | 176 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 230 | P | 45.5 | Very low | 36.4 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | trans | -124.7 | 119.5 | 150.2 | 32.5 | -20.6 | 0 | 0 | 0 | 112.3 | ||||
| 231 | E | 33.9 | Very low | 37.3 | Very low | 185 Ų | 185 | 142.4 Ų | 142.4 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -79.3 | 117.2 | 176.3 | -172 | 175.3 | 114.8 | 0 | 0 | 111.1 | Q233 | E231-Q233 PolarHBondContact O-N 3.49Š| ||
| 232 | L | 39.5 | Very low | 37.8 | Very low | 166 Ų | 166 | 144.2 Ų | 144.2 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | trans | -90.7 | 75.2 | -167.6 | -138.4 | 164.8 | 0 | 0 | 0 | 113.4 | ||||
| 233 | Q | 38.8 | Very low | 38.7 | Very low | 169 Ų | 169 | 139.8 Ų | 139.8 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | 28 | 105.2 | 150.3 | -60.5 | -176.5 | 6.2 | 0 | 0 | 118.5 | E231 | E231-Q233 PolarHBondContact O-N 3.49Š| ||
| 234 | K | 38.7 | Very low | 39.7 | Very low | 210 Ų | 210 | 140 Ų | 140 | 91% | 0.913 | 78% | 0.776 | S | S | * | * | trans | -99.7 | 88.8 | 170.5 | -173 | -179.8 | -178.3 | -179.9 | 0 | 110.6 | G236 | K234-G236 PolarHBondContact O-N 2.96Š| ||
| 235 | E | 32.3 | Very low | 40.6 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | trans | -66.9 | 74.8 | 177.1 | -108.4 | -106.8 | 125.8 | 0 | 0 | 112.1 | K237 | E235-K237 PolarHBondContact O-N 2.98Å; E235-K237 VanDerWaalsContact O-N 3.12Å; E235-K237 IonicContact OE1-NZ 3.81Å; E235-K237 PolarHBondContact OE1-NZ 3.13Å; E235-K237 IonicContact OE2-NZ 2.78Å; E235-K237 PolarHBondContact OE2-NZ 2.83Å | ||
| 236 | G | 39.6 | Very low | 41.6 | Very low | 57 Ų | 57 | 141.8 Ų | 141.8 | 59% | 0.588 | 79% | 0.793 | S | S | * | * | trans | -73.5 | 90.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | K234 D238 | K234-G236 PolarHBondContact O-N 2.96Å; G236-D238 VanDerWaalsContact C-N 3.26Å; G236-D238 PolarHBondContact O-N 2.74Å | ||
| 237 | K | 45.7 | Very low | 42.6 | Very low | 155 Ų | 155 | 138.9 Ų | 138.9 | 67% | 0.674 | 78% | 0.783 | S | S | * | * | trans | -79.4 | 71.7 | -173.2 | -146.2 | 171.5 | -155.2 | 78.3 | 0 | 112.4 | E235 C239 | E235-K237 PolarHBondContact O-N 2.98Å; E235-K237 VanDerWaalsContact O-N 3.12Å; E235-K237 IonicContact OE1-NZ 3.81Å; E235-K237 PolarHBondContact OE1-NZ 3.13Å; E235-K237 IonicContact OE2-NZ 2.78Å; E235-K237 PolarHBondContact OE2-NZ 2.83Å; K237-C239 PolarHBondContact O-N 2.78Å | ||
| 238 | D | 39 | Very low | 43.7 | Very low | 152 Ų | 152 | 142.3 Ų | 142.3 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | -57.8 | 130.7 | 179.2 | -90.1 | -63.3 | 0 | 0 | 0 | 112.5 | G236 K240 | G236-D238 VanDerWaalsContact C-N 3.26Å; G236-D238 PolarHBondContact O-N 2.74Å; D238-K240 PolarHBondContact O-N 3.02Å | ||
| 239 | C | 41.9 | Very low | 44.6 | Very low | 125 Ų | 125 | 142.8 Ų | 142.8 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | trans | -74 | 99.9 | 178.1 | -58.9 | 0 | 0 | 0 | 0 | 110.1 | K237 S241 | K237-C239 PolarHBondContact O-N 2.78Å; C239-S241 PolarHBondContact O-N 3.5Å | ||
| 240 | K | 38.4 | Very low | 45.4 | Very low | 196 Ų | 196 | 145 Ų | 145 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | trans | -53.2 | 136.8 | 169.1 | -83.5 | -179.8 | 173.6 | 175.6 | 0 | 110.6 | D238 D242 | D238-K240 PolarHBondContact O-N 3.02Å; K240-D242 PolarHBondContact O-N 3.25Å | ||
| 241 | S | 46.9 | Very low | 45.8 | Very low | 113 Ų | 113 | 141.7 Ų | 141.7 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | -94 | 82.1 | -171.4 | 173 | 0 | 0 | 0 | 0 | 111.5 | C239 A243 | C239-S241 PolarHBondContact O-N 3.5Å; S241-A243 PolarHBondContact O-N 2.9Å | ||
| 242 | D | 42.8 | Very low | 47 | Very low | 146 Ų | 146 | 143.4 Ų | 143.4 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | trans | -69.3 | 121.7 | 166.2 | -69.1 | -50.9 | 0 | 0 | 0 | 110.4 | K240 L244 | K240-D242 PolarHBondContact O-N 3.25Å; D242-L244 PolarHBondContact O-N 3.46Å | ||
| 243 | A | 52.2 | Low | 48 | Very low | 85 Ų | 85 | 138 Ų | 138 | 70% | 0.702 | 74% | 0.74 | S | S | * | * | trans | -84.8 | 76.6 | -167.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S241 T245 | S241-A243 PolarHBondContact O-N 2.9Å; A243-T245 PolarHBondContact O-N 3.36Å | ||
| 244 | L | 53.1 | Low | 49.2 | Very low | 156 Ų | 156 | 134 Ų | 134 | 82% | 0.817 | 74% | 0.744 | S | S | * | * | trans | -75.7 | 107.7 | 160.1 | -99.4 | 73.8 | 0 | 0 | 0 | 110.2 | D242 N246 | D242-L244 PolarHBondContact O-N 3.46Å; L244-N246 PolarHBondContact O-N 3.32Å | ||
| 245 | T | 53.8 | Low | 51.1 | Low | 128 Ų | 128 | 133.8 Ų | 133.8 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | trans | -63.7 | 109.6 | 178 | 37.3 | 0 | 0 | 0 | 0 | 111.6 | A243 | A243-T245 PolarHBondContact O-N 3.36Š| ||
| 246 | N | 48.8 | Very low | 53.5 | Low | 163 Ų | 163 | 136.5 Ų | 136.5 | 87% | 0.872 | 75% | 0.748 | S | S | * | * | trans | -144.2 | 83.4 | 155.1 | -100.7 | -71.4 | 0 | 0 | 0 | 107.7 | L244 W248 | L244-N246 PolarHBondContact O-N 3.32Å; N246-W248 PolarHBondContact O-N 3.07Å | ||
| 247 | N | 54 | Low | 55.8 | Low | 125 Ų | 125 | 142.4 Ų | 142.4 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | trans | -74.8 | 117 | 177.5 | -168 | -0.7 | 0 | 0 | 0 | 107.9 | L249 | N247-L249 HydrophobicContact CB-CD2 4.23Å; N247-L249 HydrophobicContact CB-CG 4.37Å; N247-L249 WeakPolarHBondContact ND2-CD2 3.27Å; N247-L249 PolarHBondContact O-N 3.42Å | ||
| 248 | W | 58.3 | Low | 58 | Low | 170 Ų | 170 | 146.5 Ų | 146.5 | 64% | 0.644 | 77% | 0.768 | S | S | * | * | trans | -78.8 | 81.6 | 176.2 | 105.8 | -67.1 | 0 | 0 | 0 | 107.6 | N246 T250 A251 | N246-W248 PolarHBondContact O-N 3.07Å; W248-T250 PolarHBondContact O-N 2.83Å; W248-A251 HydrophobicContact CH2-CB 3.86Å; W248-A251 HydrophobicContact CZ2-CB 3.36Å; W248-A251 PolarHBondContact NE1-O 3.15Å | ||
| 249 | L | 53.1 | Low | 60.5 | Low | 130 Ų | 130 | 144.5 Ų | 144.5 | 68% | 0.681 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | 133.5 | -158.9 | -75.8 | 164.3 | 0 | 0 | 0 | 112.7 | N247 | N247-L249 HydrophobicContact CB-CD2 4.23Å; N247-L249 HydrophobicContact CB-CG 4.37Å; N247-L249 WeakPolarHBondContact ND2-CD2 3.27Å; N247-L249 PolarHBondContact O-N 3.42Å |
| 250 | T | 57 | Low | 63.1 | Low | 147 Ų | 147 | 144.2 Ų | 144.2 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.9 | 25.2 | 165.8 | 70.5 | 0 | 0 | 0 | 0 | 120.8 | W248 | W248-T250 PolarHBondContact O-N 2.83Š|
| 251 | A | 54.1 | Low | 66 | Low | 52 Ų | 52 | 138.5 Ų | 138.5 | 43% | 0.43 | 74% | 0.735 | S | S | . | * | trans | -130.2 | 133 | 154.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | W248 S253 | W248-A251 HydrophobicContact CH2-CB 3.86Å; W248-A251 HydrophobicContact CZ2-CB 3.36Å; W248-A251 PolarHBondContact NE1-O 3.15Å; A251-S253 PolarHBondContact O-N 3.01Å | ||
| 252 | K | 59.2 | Low | 68.4 | Low | 222 Ų | 222 | 136.8 Ų | 136.8 | 97% | 0.965 | 72% | 0.72 | S | S | * | * | trans | -69.3 | 58.9 | -171.9 | -64.6 | 164.2 | 179.6 | 170.4 | 0 | 112.7 | G254 | K252-G254 PolarHBondContact O-N 2.83Š| ||
| 253 | S | 59.5 | Low | 71.1 | Confident | 51 Ų | 51 | 138.5 Ų | 138.5 | 36% | 0.357 | 72% | 0.721 | S | S | . | * | trans | -78.9 | 79.1 | -174.5 | 179.2 | 0 | 0 | 0 | 0 | 111.8 | A251 R255 | A251-S253 PolarHBondContact O-N 3.01Å; S253-R255 PolarHBondContact O-N 3.26Å | ||
| 254 | G | 65.9 | Low | 73.3 | Confident | 85 Ų | 85 | 139.8 Ų | 139.8 | 88% | 0.876 | 71% | 0.712 | S | S | * | * | trans | -63.3 | 14.5 | 169 | 0 | 0 | 0 | 0 | 0 | 115.3 | K252 K256 | K252-G254 PolarHBondContact O-N 2.83Å; G254-K256 PolarHBondContact O-N 2.59Å | ||
| 255 | R | 77.1 | Confident | 75.4 | Confident | 206 Ų | 206 | 133.8 Ų | 133.8 | 78% | 0.777 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -80.9 | 115.2 | 173.6 | -69.2 | -170.5 | -74.4 | -142.5 | 0.5 | 109.4 | S253 K257 | S253-R255 PolarHBondContact O-N 3.26Å; R255-K257 PolarHBondContact O-N 3.13Å |
| 256 | K | 84.2 | Confident | 77.6 | Confident | 203 Ų | 203 | 129.9 Ų | 129.9 | 88% | 0.883 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 130.8 | 179.9 | -164.5 | 156 | 83.9 | 167.6 | 0 | 111.2 | G254 R258 | G254-K256 PolarHBondContact O-N 2.59Å; K256-R258 PolarHBondContact O-N 3.41Å |
| 257 | K | 86.3 | Confident | 79.9 | Confident | 181 Ų | 181 | 127.5 Ų | 127.5 | 79% | 0.787 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 133.6 | -178.2 | -170.5 | 176.2 | -178.1 | 178.6 | 0 | 110 | R255 C259 | R255-K257 PolarHBondContact O-N 3.13Å; K257-C259 PolarHBondContact O-N 3.44Å |
| 258 | R | 91.8 | Very high | 82 | Confident | 241 Ų | 241 | 123.8 Ų | 123.8 | 91% | 0.909 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 118.6 | 178 | -70.3 | -176.6 | 178.3 | 178 | 0.8 | 109.6 | K256 | K256-R258 PolarHBondContact O-N 3.41Š|
| 259 | C | 92.8 | Very high | 84 | Confident | 109 Ų | 109 | 115.7 Ų | 115.7 | 74% | 0.736 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 137.2 | 164.6 | -56.6 | 0 | 0 | 0 | 0 | 109.2 | K257 | K257-C259 PolarHBondContact O-N 3.44Š|
| 260 | P | 96.4 | Very high | 86.1 | Confident | 119 Ų | 119 | 112.3 Ų | 112.3 | 77% | 0.773 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 155.2 | 167 | 31.3 | -34.2 | 0 | 0 | 0 | 110.4 | ||
| 261 | Y | 98.2 | Very high | 88.1 | Confident | 76 Ų | 76 | 110.7 Ų | 110.7 | 30% | 0.298 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -75.8 | 150.9 | 169.9 | -58.7 | -53.2 | 0 | 0 | 0 | 110.5 | L293 W301 | Y261-L293 HydrophobicContact CD1-CD1 3.78Å; Y261-L293 HydrophobicContact CD1-CD2 3.73Å; Y261-L293 HydrophobicContact CD1-CG 4.43Å; Y261-L293 HydrophobicContact CE1-CD1 3.72Å; Y261-L293 HydrophobicContact CE1-CD2 3.62Å; Y261-L293 HydrophobicContact CE1-CG 4.34Å; Y261-L293 HydrophobicContact CG-CD1 4.43Å; Y261-W301 AromaticContact CD2-CD1 3.87Å; Y261-W301 AromaticContact CE2-CD1 3.77Å |
| 262 | T | 98.6 | Very high | 90.2 | Very high | 77 Ų | 77 | 109 Ų | 109 | 47% | 0.472 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 165.9 | 178 | 77.2 | 0 | 0 | 0 | 0 | 111.5 | H264 Q265 T266 | T262-H264 PolarHBondContact O-N 3.01Å; T262-Q265 PolarHBondContact O-N 3.24Å; T262-Q265 WeakPolarHBondContact OG1-CG 3.48Å; T262-Q265 PolarHBondContact OG1-N 3.28Å; T262-Q265 VanDerWaalsContact OG1-N 3.16Å; T262-T266 WeakPolarHBondContact O-CB 3.36Å; T262-T266 PolarHBondContact O-N 2.86Å; T262-T266 PolarHBondContact O-OG1 3.48Å |
| 263 | K | 98.3 | Very high | 92.1 | Very high | 183 Ų | 183 | 98.9 Ų | 98.9 | 80% | 0.796 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -56.9 | -48.3 | 173.6 | -68.1 | -174.5 | 178.8 | -178.7 | 0 | 111.2 | T266 L267 | K263-T266 PolarHBondContact O-N 3.37Å; K263-L267 WeakPolarHBondContact O-CG 3.43Å; K263-L267 PolarHBondContact O-N 2.64Å |
| 264 | H | 98.3 | Very high | 93.9 | Very high | 112 Ų | 112 | 103.5 Ų | 103.5 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 178.6 | 174.8 | 58.9 | 0 | 0 | 0 | 112.5 | T262 T266 L267 E268 | T262-H264 PolarHBondContact O-N 3.01Å; H264-T266 VanDerWaalsContact C-N 3.25Å; H264-T266 PolarHBondContact O-N 3.12Å; H264-L267 PolarHBondContact O-N 2.71Å; H264-E268 PolarHBondContact O-N 2.85Å |
| 265 | Q | 98.6 | Very high | 95.5 | Very high | 30 Ų | 30 | 107.2 Ų | 107.2 | 14% | 0.14 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -56.3 | -41.5 | 175.2 | -71.9 | 178.2 | -32.8 | 0 | 0 | 111.8 | T262 L269 V291 | T262-Q265 PolarHBondContact O-N 3.24Å; T262-Q265 WeakPolarHBondContact OG1-CG 3.48Å; T262-Q265 PolarHBondContact OG1-N 3.28Å; T262-Q265 VanDerWaalsContact OG1-N 3.16Å; Q265-L269 WeakPolarHBondContact O-CB 3.26Å; Q265-L269 VanDerWaalsContact O-CD1 3.27Å; Q265-L269 WeakPolarHBondContact O-CD1 3.41Å; Q265-L269 WeakPolarHBondContact O-CG 3.37Å; Q265-L269 PolarHBondContact O-N 3.35Å; Q265-V291 HydrophobicContact CG-CB 4.17Å; Q265-V291 WeakPolarHBondContact CG-O 3.4Å; Q265-V291 PolarHBondContact NE2-O 3Å |
| 266 | T | 98.4 | Very high | 96.4 | Very high | 46 Ų | 46 | 100.9 Ų | 100.9 | 28% | 0.282 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.1 | -41.8 | 179.6 | -53.3 | 0 | 0 | 0 | 0 | 111.8 | T262 K263 H264 L269 E270 | T262-T266 WeakPolarHBondContact O-CB 3.36Å; T262-T266 PolarHBondContact O-N 2.86Å; T262-T266 PolarHBondContact O-OG1 3.48Å; K263-T266 PolarHBondContact O-N 3.37Å; H264-T266 VanDerWaalsContact C-N 3.25Å; H264-T266 PolarHBondContact O-N 3.12Å; T266-L269 PolarHBondContact O-N 3.46Å; T266-E270 WeakPolarHBondContact O-CG 3.3Å; T266-E270 PolarHBondContact O-N 3.38Å |
| 267 | L | 98.5 | Very high | 97.1 | Very high | 112 Ų | 112 | 94.6 Ų | 94.6 | 59% | 0.586 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.8 | -46.9 | 179.7 | -73.3 | 168.1 | 0 | 0 | 0 | 112.5 | K263 H264 L269 E270 K271 | K263-L267 WeakPolarHBondContact O-CG 3.43Å; K263-L267 PolarHBondContact O-N 2.64Å; H264-L267 PolarHBondContact O-N 2.71Å; L267-L269 VanDerWaalsContact C-N 3.32Å; L267-L269 PolarHBondContact O-N 3.06Å; L267-E270 PolarHBondContact O-N 3.45Å; L267-K271 VanDerWaalsContact O-CB 3.32Å; L267-K271 WeakPolarHBondContact O-CB 3.21Å; L267-K271 PolarHBondContact O-N 3.34Å |
| 268 | E | 98.5 | Very high | 97.6 | Very high | 47 Ų | 47 | 93 Ų | 93 | 22% | 0.22 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -65.1 | -36.4 | 177.1 | -73.7 | -64.6 | 122.9 | 0 | 0 | 111.9 | H264 K271 E272 V291 | H264-E268 PolarHBondContact O-N 2.85Å; E268-K271 WeakPolarHBondContact OE1-CD 3.47Å; E268-K271 IonicContact OE1-NZ 3.63Å; E268-K271 PolarHBondContact OE1-NZ 3.36Å; E268-K271 IonicContact OE2-NZ 2.71Å; E268-K271 PolarHBondContact OE2-NZ 3.44Å; E268-E272 WeakPolarHBondContact O-CB 3.23Å; E268-E272 WeakPolarHBondContact O-CG 3.41Å; E268-E272 PolarHBondContact O-N 3.34Å; E268-V291 HydrophobicContact CB-CG1 3.56Å; E268-V291 HydrophobicContact CG-CG1 4.25Å |
| 269 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 82.9 Ų | 82.9 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -67 | -35.4 | 173.2 | -70.4 | 168.1 | 0 | 0 | 0 | 112.9 | Q265 T266 L267 F273 I287 L293 V298 W301 F302 | Q265-L269 WeakPolarHBondContact O-CB 3.26Å; Q265-L269 VanDerWaalsContact O-CD1 3.27Å; Q265-L269 WeakPolarHBondContact O-CD1 3.41Å; Q265-L269 WeakPolarHBondContact O-CG 3.37Å; Q265-L269 PolarHBondContact O-N 3.35Å; T266-L269 PolarHBondContact O-N 3.46Å; L267-L269 VanDerWaalsContact C-N 3.32Å; L267-L269 PolarHBondContact O-N 3.06Å; L269-F273 VanDerWaalsContact O-CB 3.29Å; L269-F273 WeakPolarHBondContact O-CB 3.36Å; L269-F273 PolarHBondContact O-N 2.92Å; L269-I287 HydrophobicContact CD2-CG2 3.75Å; L269-L293 HydrophobicContact CD1-CD1 3.96Å; L269-V298 HydrophobicContact CD2-CG1 3.92Å; L269-V298 HydrophobicContact CD2-CG2 4.42Å; L269-W301 VanDerWaalsContact C-CH2 3.46Å; L269-W301 HydrophobicContact CB-CD2 3.91Å; L269-W301 HydrophobicContact CB-CE3 3.95Å; L269-W301 HydrophobicContact CB-CH2 3.74Å; L269-W301 HydrophobicContact CB-CZ2 3.67Å; L269-W301 HydrophobicContact CB-CZ3 3.87Å; L269-W301 HydrophobicContact CD1-CB 4.44Å; L269-W301 HydrophobicContact CD1-CD2 3.92Å; L269-W301 HydrophobicContact CD1-CG 3.81Å; L269-W301 HydrophobicContact CD2-CE3 4.42Å; L269-W301 HydrophobicContact CG-CD2 4.35Å; L269-W301 VanDerWaalsContact O-CH2 3.32Å; L269-W301 WeakPolarHBondContact O-CH2 3.34Å; L269-W301 WeakPolarHBondContact O-CZ3 3.32Å; L269-F302 HydrophobicContact CD2-CD2 4.46Å; L269-F302 HydrophobicContact CD2-CE2 3.91Å |
| 270 | E | 98.6 | Very high | 98.2 | Very high | 60 Ų | 60 | 81.8 Ų | 81.8 | 28% | 0.28 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -74.6 | -38.9 | 175.6 | -71 | -156.5 | 122.3 | 0 | 0 | 112.9 | T266 L267 F273 L274 W301 R305 | T266-E270 WeakPolarHBondContact O-CG 3.3Å; T266-E270 PolarHBondContact O-N 3.38Å; L267-E270 PolarHBondContact O-N 3.45Å; E270-F273 WeakPolarHBondContact O-CB 3.42Å; E270-F273 PolarHBondContact O-N 3.46Å; E270-L274 WeakPolarHBondContact O-CG 3.48Å; E270-L274 PolarHBondContact O-N 2.72Å; E270-W301 HydrophobicContact CB-CH2 4.45Å; E270-W301 HydrophobicContact CG-CH2 3.67Å; E270-W301 HydrophobicContact CG-CZ2 3.65Å; E270-R305 IonicContact OE1-CZ 2.75Å; E270-R305 IonicContact OE1-NE 3.14Å; E270-R305 PolarHBondContact OE1-NE 2.94Å; E270-R305 IonicContact OE1-NH2 2.73Å; E270-R305 PolarHBondContact OE1-NH2 3.25Å |
| 271 | K | 98.4 | Very high | 98.3 | Very high | 113 Ų | 113 | 82.8 Ų | 82.8 | 49% | 0.491 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -54.9 | -51 | 170.4 | 169.2 | -170.3 | 173.1 | -166.7 | 0 | 111.6 | L267 E268 F273 L274 F275 | L267-K271 VanDerWaalsContact O-CB 3.32Å; L267-K271 WeakPolarHBondContact O-CB 3.21Å; L267-K271 PolarHBondContact O-N 3.34Å; E268-K271 WeakPolarHBondContact OE1-CD 3.47Å; E268-K271 IonicContact OE1-NZ 3.63Å; E268-K271 PolarHBondContact OE1-NZ 3.36Å; E268-K271 IonicContact OE2-NZ 2.71Å; E268-K271 PolarHBondContact OE2-NZ 3.44Å; K271-F273 VanDerWaalsContact C-N 3.32Å; K271-F273 PolarHBondContact O-N 3.32Å; K271-L274 PolarHBondContact O-N 3.11Å; K271-F275 PolarHBondContact O-N 2.83Å; K271-F275 VanDerWaalsContact O-N 3.09Å |
| 272 | E | 98.3 | Very high | 98.3 | Very high | 17 Ų | 17 | 85.9 Ų | 85.9 | 8% | 0.079 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.9 | -33.5 | 176.5 | -71.3 | -69.3 | 133.3 | 0 | 0 | 112.5 | E268 L274 F275 N276 R283 I287 F302 | E268-E272 WeakPolarHBondContact O-CB 3.23Å; E268-E272 WeakPolarHBondContact O-CG 3.41Å; E268-E272 PolarHBondContact O-N 3.34Å; E272-L274 VanDerWaalsContact C-N 3.35Å; E272-F275 PolarHBondContact O-N 2.94Å; E272-N276 CarbonylContact O-C 3.59Å; E272-N276 PolarHBondContact O-N 3.02Å; E272-N276 VanDerWaalsContact O-O 3.13Å; E272-R283 VanDerWaalsContact CD-NH2 3.3Å; E272-R283 IonicContact OE1-CZ 2.85Å; E272-R283 IonicContact OE1-NE 3.36Å; E272-R283 IonicContact OE1-NH2 2.72Å; E272-R283 PolarHBondContact OE1-NH2 2.87Å; E272-R283 IonicContact OE2-CZ 2.64Å; E272-R283 IonicContact OE2-NE 3.64Å; E272-R283 PolarHBondContact OE2-NE 3.32Å; E272-R283 IonicContact OE2-NH2 3.54Å; E272-R283 PolarHBondContact OE2-NH2 3.04Å; E272-R283 VanDerWaalsContact OE2-NH2 3.14Å; E272-I287 HydrophobicContact CB-CD1 3.86Å; E272-I287 HydrophobicContact CG-CD1 3.66Å; E272-I287 HydrophobicContact CG-CG1 3.9Å; E272-I287 WeakPolarHBondContact OE2-CD1 3.48Å; E272-F302 HydrophobicContact CB-CZ 4.02Å |
| 273 | F | 98.6 | Very high | 98.3 | Very high | 8 Ų | 8 | 86.4 Ų | 86.4 | 4% | 0.035 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -68.2 | -32.1 | 175.6 | -174.7 | -97.6 | 0 | 0 | 0 | 113.6 | L269 E270 K271 N276 M277 W301 F302 R305 R306 L309 | L269-F273 VanDerWaalsContact O-CB 3.29Å; L269-F273 WeakPolarHBondContact O-CB 3.36Å; L269-F273 PolarHBondContact O-N 2.92Å; E270-F273 WeakPolarHBondContact O-CB 3.42Å; E270-F273 PolarHBondContact O-N 3.46Å; K271-F273 VanDerWaalsContact C-N 3.32Å; K271-F273 PolarHBondContact O-N 3.32Å; F273-N276 CarbonylContact O-C 3.47Å; F273-M277 HydrophobicContact CD1-CG 4.46Å; F273-M277 HydrophobicContact CD2-CB 4.39Å; F273-M277 HydrophobicContact CD2-CG 4.42Å; F273-M277 HydrophobicContact CE1-CG 3.97Å; F273-M277 HydrophobicContact CE2-CB 3.85Å; F273-M277 HydrophobicContact CE2-CG 3.91Å; F273-M277 HydrophobicContact CZ-CB 4.09Å; F273-M277 HydrophobicContact CZ-CE 4.04Å; F273-M277 HydrophobicContact CZ-CG 3.68Å; F273-M277 HydrophobicContact CZ-SD 4.39Å; F273-M277 WeakPolarHBondContact O-CG 3.4Å; F273-M277 PolarHBondContact O-N 2.99Å; F273-W301 HydrophobicContact CB-CH2 4.21Å; F273-W301 HydrophobicContact CB-CZ3 4.02Å; F273-W301 HydrophobicContact CD2-CZ3 4.35Å; F273-W301 HydrophobicContact CG-CZ3 4.36Å; F273-F302 HydrophobicContact CB-CE1 4.04Å; F273-F302 HydrophobicContact CB-CZ 4.13Å; F273-F302 AromaticContact CD2-CD1 3.84Å; F273-F302 HydrophobicContact CD2-CD1 3.84Å; F273-F302 AromaticContact CD2-CE1 3.78Å; F273-F302 HydrophobicContact CD2-CE1 3.78Å; F273-F302 HydrophobicContact CG-CE1 4.43Å; F273-R305 HydrophobicContact CB-CG 4.49Å; F273-R305 HydrophobicContact CD1-CG 3.71Å; F273-R305 HydrophobicContact CD2-CB 4.11Å; F273-R305 HydrophobicContact CD2-CG 3.67Å; F273-R305 HydrophobicContact CE1-CG 3.76Å; F273-R305 HydrophobicContact CE2-CB 4.03Å; F273-R305 HydrophobicContact CE2-CG 3.74Å; F273-R305 HydrophobicContact CG-CG 3.67Å; F273-R305 HydrophobicContact CZ-CB 4.39Å; F273-R305 HydrophobicContact CZ-CG 3.77Å; F273-R306 HydrophobicContact CE2-CG 3.69Å; F273-R306 HydrophobicContact CZ-CG 4.05Å; F273-L309 HydrophobicContact CE1-CD2 4.34Å; F273-L309 HydrophobicContact CZ-CD2 4.25Å |
| 274 | L | 98.1 | Very high | 98.3 | Very high | 148 Ų | 148 | 79.6 Ų | 79.6 | 78% | 0.775 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -73.3 | -36.6 | 173.5 | -69.6 | 169.8 | 0 | 0 | 0 | 111.7 | E270 K271 E272 | E270-L274 WeakPolarHBondContact O-CG 3.48Å; E270-L274 PolarHBondContact O-N 2.72Å; K271-L274 PolarHBondContact O-N 3.11Å; E272-L274 VanDerWaalsContact C-N 3.35Å |
| 275 | F | 98.1 | Very high | 98.3 | Very high | 164 Ų | 164 | 77.2 Ų | 77.2 | 72% | 0.719 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -67.9 | -47.5 | 173.1 | -179.7 | -103.6 | 0 | 0 | 0 | 112.1 | K271 E272 | K271-F275 PolarHBondContact O-N 2.83Å; K271-F275 VanDerWaalsContact O-N 3.09Å; E272-F275 PolarHBondContact O-N 2.94Å |
| 276 | N | 97.2 | Very high | 98.3 | Very high | 72 Ų | 72 | 79 Ų | 79 | 39% | 0.385 | 37% | 0.37 | S | S | . | . | trans | -152.2 | 118.4 | 173.3 | -172.6 | -14 | 0 | 0 | 0 | 112 | E272 F273 Y278 | E272-N276 CarbonylContact O-C 3.59Å; E272-N276 PolarHBondContact O-N 3.02Å; E272-N276 VanDerWaalsContact O-O 3.13Å; F273-N276 CarbonylContact O-C 3.47Å; N276-Y278 VanDerWaalsContact CG-O 3.31Å; N276-Y278 PolarHBondContact ND2-O 3.23Å; N276-Y278 PolarHBondContact O-N 2.96Å; N276-Y278 PolarHBondContact OD1-N 3.33Å; N276-Y278 PolarHBondContact OD1-O 3.07Å | ||
| 277 | M | 97.7 | Very high | 98.3 | Very high | 72 Ų | 72 | 77 Ų | 77 | 36% | 0.355 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -64.3 | -11.9 | 178.3 | -65.7 | 173.9 | 48.9 | 0 | 0 | 114.6 | F273 R306 L309 | F273-M277 HydrophobicContact CD1-CG 4.46Å; F273-M277 HydrophobicContact CD2-CB 4.39Å; F273-M277 HydrophobicContact CD2-CG 4.42Å; F273-M277 HydrophobicContact CE1-CG 3.97Å; F273-M277 HydrophobicContact CE2-CB 3.85Å; F273-M277 HydrophobicContact CE2-CG 3.91Å; F273-M277 HydrophobicContact CZ-CB 4.09Å; F273-M277 HydrophobicContact CZ-CE 4.04Å; F273-M277 HydrophobicContact CZ-CG 3.68Å; F273-M277 HydrophobicContact CZ-SD 4.39Å; F273-M277 WeakPolarHBondContact O-CG 3.4Å; F273-M277 PolarHBondContact O-N 2.99Å; M277-R306 WeakPolarHBondContact O-CD 3.01Å; M277-L309 HydrophobicContact CE-CD2 3.5Å; M277-L309 HydrophobicContact SD-CD2 4.17Å |
| 278 | Y | 98.3 | Very high | 98.3 | Very high | 148 Ų | 148 | 72.7 Ų | 72.7 | 58% | 0.58 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -133.7 | 108 | -175.3 | -68.1 | -100 | 0 | 0 | 0 | 111.8 | N276 | N276-Y278 VanDerWaalsContact CG-O 3.31Å; N276-Y278 PolarHBondContact ND2-O 3.23Å; N276-Y278 PolarHBondContact O-N 2.96Å; N276-Y278 PolarHBondContact OD1-N 3.33Å; N276-Y278 PolarHBondContact OD1-O 3.07Å |
| 279 | L | 98.1 | Very high | 98.3 | Very high | 27 Ų | 27 | 78.7 Ų | 78.7 | 14% | 0.141 | 36% | 0.357 | C | S | . | . | trans | -83 | 133.4 | -178.8 | -59.1 | 178.8 | 0 | 0 | 0 | 113.7 | R283 R284 I287 V298 F302 | L279-R283 HydrophobicContact CD2-CG 4.03Å; L279-R284 HydrophobicContact CB-CB 4.1Å; L279-R284 HydrophobicContact CD1-CB 3.98Å; L279-R284 HydrophobicContact CD1-CG 4.14Å; L279-R284 PolarHBondContact O-NH1 3.14Å; L279-I287 HydrophobicContact CD1-CD1 3.62Å; L279-I287 HydrophobicContact CD2-CD1 3.66Å; L279-I287 HydrophobicContact CG-CD1 4.29Å; L279-V298 HydrophobicContact CD1-CG1 3.77Å; L279-F302 HydrophobicContact CD1-CD1 4.07Å; L279-F302 HydrophobicContact CD1-CD2 3.64Å; L279-F302 HydrophobicContact CD1-CE1 3.93Å; L279-F302 HydrophobicContact CD1-CE2 3.52Å; L279-F302 HydrophobicContact CD1-CG 3.94Å; L279-F302 HydrophobicContact CD1-CZ 3.67Å; L279-F302 HydrophobicContact CD2-CD1 4.5Å; L279-F302 HydrophobicContact CD2-CE1 3.83Å; L279-F302 HydrophobicContact CD2-CZ 3.9Å; L279-F302 HydrophobicContact CG-CD1 3.78Å; L279-F302 HydrophobicContact CG-CD2 4.29Å; L279-F302 HydrophobicContact CG-CE1 3.58Å; L279-F302 HydrophobicContact CG-CE2 4.14Å; L279-F302 HydrophobicContact CG-CG 4.14Å; L279-F302 HydrophobicContact CG-CZ 3.8Å | ||
| 280 | T | 98.4 | Very high | 98.3 | Very high | 86 Ų | 86 | 82.1 Ų | 82.1 | 53% | 0.528 | 38% | 0.381 | S | S | . | . | trans | -61.5 | 176.9 | 162.7 | 64.1 | 0 | 0 | 0 | 0 | 111.5 | R283 R284 | T280-R283 WeakPolarHBondContact OG1-CB 3.48Å; T280-R283 PolarHBondContact OG1-N 3.49Å; T280-R284 WeakPolarHBondContact O-CB 3.08Å; T280-R284 PolarHBondContact O-NH1 3.23Å; T280-R284 VanDerWaalsContact O-NH1 3.11Å | ||
| 281 | R | 98.2 | Very high | 98.2 | Very high | 140 Ų | 140 | 79.3 Ų | 79.3 | 53% | 0.528 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66 | -49.6 | 174.8 | 174.9 | 53.6 | 173.4 | 178.5 | -6.5 | 111.5 | R284 L285 D295 | R281-R284 PolarHBondContact O-N 2.94Å; R281-L285 HydrophobicContact CG-CD1 4.32Å; R281-L285 WeakPolarHBondContact O-CG 3.45Å; R281-L285 PolarHBondContact O-N 2.88Å; R281-D295 IonicContact NH1-OD1 2.83Å; R281-D295 PolarHBondContact NH1-OD1 3.25Å; R281-D295 IonicContact NH1-OD2 3.59Å; R281-D295 PolarHBondContact NH1-OD2 3.42Å |
| 282 | E | 98.4 | Very high | 98.2 | Very high | 141 Ų | 141 | 80.6 Ų | 80.6 | 66% | 0.659 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.4 | -54.8 | -175.3 | -178.1 | 166.6 | -136.5 | 0 | 0 | 112.6 | R284 L285 E286 | E282-R284 PolarHBondContact O-N 3.03Å; E282-R284 VanDerWaalsContact O-N 3.13Å; E282-L285 WeakPolarHBondContact O-CA 3.44Å; E282-L285 WeakPolarHBondContact O-CB 3.25Å; E282-L285 PolarHBondContact O-N 3.22Å; E282-E286 PolarHBondContact O-N 2.84Å |
| 283 | R | 98.4 | Very high | 98.2 | Very high | 89 Ų | 89 | 80.4 Ų | 80.4 | 34% | 0.336 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.2 | -33.6 | 179.2 | -172.5 | 53.6 | 169.7 | -158.4 | -2.8 | 112.7 | E272 L279 T280 L285 E286 I287 | E272-R283 VanDerWaalsContact CD-NH2 3.3Å; E272-R283 IonicContact OE1-CZ 2.85Å; E272-R283 IonicContact OE1-NE 3.36Å; E272-R283 IonicContact OE1-NH2 2.72Å; E272-R283 PolarHBondContact OE1-NH2 2.87Å; E272-R283 IonicContact OE2-CZ 2.64Å; E272-R283 IonicContact OE2-NE 3.64Å; E272-R283 PolarHBondContact OE2-NE 3.32Å; E272-R283 IonicContact OE2-NH2 3.54Å; E272-R283 PolarHBondContact OE2-NH2 3.04Å; E272-R283 VanDerWaalsContact OE2-NH2 3.14Å; L279-R283 HydrophobicContact CD2-CG 4.03Å; T280-R283 WeakPolarHBondContact OG1-CB 3.48Å; T280-R283 PolarHBondContact OG1-N 3.49Å; R283-L285 VanDerWaalsContact C-N 3.35Å; R283-L285 PolarHBondContact O-N 3.14Å; R283-E286 WeakPolarHBondContact CD-OE2 3.46Å; R283-E286 IonicContact CZ-OE2 2.83Å; R283-E286 IonicContact NE-OE2 3.37Å; R283-E286 IonicContact NH1-OE2 3.01Å; R283-E286 PolarHBondContact NH1-OE2 3.36Å; R283-E286 WeakPolarHBondContact O-CB 3.49Å; R283-E286 PolarHBondContact O-N 2.75Å; R283-I287 HydrophobicContact CG-CD1 4.02Å; R283-I287 WeakPolarHBondContact O-CD1 3.32Å; R283-I287 VanDerWaalsContact O-CG1 3.25Å; R283-I287 WeakPolarHBondContact O-CG1 3.47Å; R283-I287 PolarHBondContact O-N 2.89Å |
| 284 | R | 98.6 | Very high | 98.2 | Very high | 39 Ų | 39 | 83.6 Ų | 83.6 | 15% | 0.147 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -69.3 | -29.6 | 174.3 | -174.1 | 165.5 | 50.9 | -98.4 | -9.3 | 113.3 | L279 T280 R281 E282 S288 D295 V298 | L279-R284 HydrophobicContact CB-CB 4.1Å; L279-R284 HydrophobicContact CD1-CB 3.98Å; L279-R284 HydrophobicContact CD1-CG 4.14Å; L279-R284 PolarHBondContact O-NH1 3.14Å; T280-R284 WeakPolarHBondContact O-CB 3.08Å; T280-R284 PolarHBondContact O-NH1 3.23Å; T280-R284 VanDerWaalsContact O-NH1 3.11Å; R281-R284 PolarHBondContact O-N 2.94Å; E282-R284 PolarHBondContact O-N 3.03Å; E282-R284 VanDerWaalsContact O-N 3.13Å; R284-S288 WeakPolarHBondContact O-CB 3.45Å; R284-S288 PolarHBondContact O-N 3.25Å; R284-D295 VanDerWaalsContact CD-OD1 3.27Å; R284-D295 WeakPolarHBondContact CD-OD1 3.49Å; R284-D295 WeakPolarHBondContact CG-OD1 3.34Å; R284-D295 IonicContact CZ-OD1 2.78Å; R284-D295 IonicContact NE-OD1 2.85Å; R284-D295 PolarHBondContact NE-OD1 3.25Å; R284-V298 HydrophobicContact CG-CB 3.95Å; R284-V298 HydrophobicContact CG-CG1 3.79Å |
| 285 | L | 98.6 | Very high | 98.2 | Very high | 63 Ų | 63 | 78.3 Ų | 78.3 | 33% | 0.33 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -77 | -29.3 | 172.9 | -68.1 | 171.4 | 0 | 0 | 0 | 112.6 | R281 E282 R283 R289 D295 | R281-L285 HydrophobicContact CG-CD1 4.32Å; R281-L285 WeakPolarHBondContact O-CG 3.45Å; R281-L285 PolarHBondContact O-N 2.88Å; E282-L285 WeakPolarHBondContact O-CA 3.44Å; E282-L285 WeakPolarHBondContact O-CB 3.25Å; E282-L285 PolarHBondContact O-N 3.22Å; R283-L285 VanDerWaalsContact C-N 3.35Å; R283-L285 PolarHBondContact O-N 3.14Å; L285-R289 WeakPolarHBondContact O-CG 3.4Å; L285-R289 PolarHBondContact O-N 2.73Å; L285-R289 PolarHBondContact O-NE 3.45Å; L285-D295 HydrophobicContact CD2-CB 4.1Å |
| 286 | E | 98.5 | Very high | 98.2 | Very high | 66 Ų | 66 | 79 Ų | 79 | 31% | 0.308 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.1 | -56.3 | 166.7 | -67.9 | 160.8 | -145.4 | 0 | 0 | 111.1 | E282 R283 S288 R289 S290 | E282-E286 PolarHBondContact O-N 2.84Å; R283-E286 WeakPolarHBondContact CD-OE2 3.46Å; R283-E286 IonicContact CZ-OE2 2.83Å; R283-E286 IonicContact NE-OE2 3.37Å; R283-E286 IonicContact NH1-OE2 3.01Å; R283-E286 PolarHBondContact NH1-OE2 3.36Å; R283-E286 WeakPolarHBondContact O-CB 3.49Å; R283-E286 PolarHBondContact O-N 2.75Å; E286-S288 VanDerWaalsContact C-N 3.3Å; E286-S288 PolarHBondContact O-N 3.07Å; E286-R289 WeakPolarHBondContact O-CA 3.48Å; E286-R289 WeakPolarHBondContact O-CB 3.34Å; E286-R289 PolarHBondContact O-N 2.68Å; E286-S290 PolarHBondContact O-N 3.07Å |
| 287 | I | 98.4 | Very high | 98.3 | Very high | 5 Ų | 5 | 78.6 Ų | 78.6 | 3% | 0.026 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.3 | -42.3 | -179.7 | -62.9 | 163.2 | 0 | 0 | 0 | 110.9 | L269 E272 L279 R283 R289 S290 V291 V298 | L269-I287 HydrophobicContact CD2-CG2 3.75Å; E272-I287 HydrophobicContact CB-CD1 3.86Å; E272-I287 HydrophobicContact CG-CD1 3.66Å; E272-I287 HydrophobicContact CG-CG1 3.9Å; E272-I287 WeakPolarHBondContact OE2-CD1 3.48Å; L279-I287 HydrophobicContact CD1-CD1 3.62Å; L279-I287 HydrophobicContact CD2-CD1 3.66Å; L279-I287 HydrophobicContact CG-CD1 4.29Å; R283-I287 HydrophobicContact CG-CD1 4.02Å; R283-I287 WeakPolarHBondContact O-CD1 3.32Å; R283-I287 VanDerWaalsContact O-CG1 3.25Å; R283-I287 WeakPolarHBondContact O-CG1 3.47Å; R283-I287 PolarHBondContact O-N 2.89Å; I287-R289 PolarHBondContact O-N 3.21Å; I287-S290 PolarHBondContact O-N 3.26Å; I287-S290 PolarHBondContact O-OG 2.78Å; I287-V291 HydrophobicContact CG2-CG2 4.28Å; I287-V291 WeakPolarHBondContact O-CG2 3.35Å; I287-V291 PolarHBondContact O-N 3.37Å; I287-V298 HydrophobicContact CB-CG1 4.46Å; I287-V298 HydrophobicContact CG2-CG1 3.96Å; I287-V298 HydrophobicContact CG2-CG2 4.3Å |
| 288 | S | 98.6 | Very high | 98.3 | Very high | 21 Ų | 21 | 75.2 Ų | 75.2 | 15% | 0.147 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -53.5 | -40.1 | 174.7 | 176.4 | 0 | 0 | 0 | 0 | 112.4 | R284 E286 N292 L293 D295 | R284-S288 WeakPolarHBondContact O-CB 3.45Å; R284-S288 PolarHBondContact O-N 3.25Å; E286-S288 VanDerWaalsContact C-N 3.3Å; E286-S288 PolarHBondContact O-N 3.07Å; S288-N292 PolarHBondContact O-N 3.45Å; S288-L293 CarbonylContact C-O 3.41Å; S288-L293 WeakPolarHBondContact CA-O 3.4Å; S288-L293 VanDerWaalsContact CB-O 3.3Å; S288-L293 WeakPolarHBondContact CB-O 3.13Å; S288-L293 PolarHBondContact O-N 3.38Å; S288-L293 VanDerWaalsContact O-N 3.13Å; S288-L293 PolarHBondContact OG-O 3.29Å; S288-D295 PolarHBondContact OG-N 3.2Å; S288-D295 VanDerWaalsContact OG-N 3.15Å |
| 289 | R | 98.4 | Very high | 98.3 | Very high | 174 Ų | 174 | 74 Ų | 74 | 66% | 0.657 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -73.7 | -47.2 | 176.1 | -71.8 | 174.5 | -72.9 | 164.2 | -1.5 | 111.8 | L285 E286 I287 V291 N292 | L285-R289 WeakPolarHBondContact O-CG 3.4Å; L285-R289 PolarHBondContact O-N 2.73Å; L285-R289 PolarHBondContact O-NE 3.45Å; E286-R289 WeakPolarHBondContact O-CA 3.48Å; E286-R289 WeakPolarHBondContact O-CB 3.34Å; E286-R289 PolarHBondContact O-N 2.68Å; I287-R289 PolarHBondContact O-N 3.21Å; R289-V291 PolarHBondContact O-N 3.17Å; R289-N292 PolarHBondContact O-N 3.09Å |
| 290 | S | 98.1 | Very high | 98.3 | Very high | 71 Ų | 71 | 75.2 Ų | 75.2 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.9 | -34.8 | -174 | 64.9 | 0 | 0 | 0 | 0 | 114.3 | E286 I287 | E286-S290 PolarHBondContact O-N 3.07Å; I287-S290 PolarHBondContact O-N 3.26Å; I287-S290 PolarHBondContact O-OG 2.78Å |
| 291 | V | 97.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 72.4 Ų | 72.4 | 1% | 0.012 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 8.5 | 178.8 | -52.5 | 0 | 0 | 0 | 0 | 114 | Q265 E268 I287 R289 L293 | Q265-V291 HydrophobicContact CG-CB 4.17Å; Q265-V291 WeakPolarHBondContact CG-O 3.4Å; Q265-V291 PolarHBondContact NE2-O 3Å; E268-V291 HydrophobicContact CB-CG1 3.56Å; E268-V291 HydrophobicContact CG-CG1 4.25Å; I287-V291 HydrophobicContact CG2-CG2 4.28Å; I287-V291 WeakPolarHBondContact O-CG2 3.35Å; I287-V291 PolarHBondContact O-N 3.37Å; R289-V291 PolarHBondContact O-N 3.17Å; V291-L293 VanDerWaalsContact C-N 3.29Å; V291-L293 HydrophobicContact CG2-CB 3.99Å; V291-L293 HydrophobicContact CG2-CD1 3.85Å; V291-L293 HydrophobicContact CG2-CG 3.82Å; V291-L293 PolarHBondContact O-N 3.21Å |
| 292 | N | 98.3 | Very high | 98.4 | Very high | 140 Ų | 140 | 66.1 Ų | 66.1 | 75% | 0.749 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 41.9 | -177.2 | -51.9 | 104.2 | 0 | 0 | 0 | 114.1 | S288 R289 | S288-N292 PolarHBondContact O-N 3.45Å; R289-N292 PolarHBondContact O-N 3.09Å |
| 293 | L | 97.9 | Very high | 98.4 | Very high | 12 Ų | 12 | 64.5 Ų | 64.5 | 6% | 0.063 | 30% | 0.302 | C | S | . | . | trans | -117.3 | 148.7 | 175.4 | -66.9 | -177.5 | 0 | 0 | 0 | 110.3 | Y261 L269 S288 V291 Q297 V298 | Y261-L293 HydrophobicContact CD1-CD1 3.78Å; Y261-L293 HydrophobicContact CD1-CD2 3.73Å; Y261-L293 HydrophobicContact CD1-CG 4.43Å; Y261-L293 HydrophobicContact CE1-CD1 3.72Å; Y261-L293 HydrophobicContact CE1-CD2 3.62Å; Y261-L293 HydrophobicContact CE1-CG 4.34Å; Y261-L293 HydrophobicContact CG-CD1 4.43Å; L269-L293 HydrophobicContact CD1-CD1 3.96Å; S288-L293 CarbonylContact C-O 3.41Å; S288-L293 WeakPolarHBondContact CA-O 3.4Å; S288-L293 VanDerWaalsContact CB-O 3.3Å; S288-L293 WeakPolarHBondContact CB-O 3.13Å; S288-L293 PolarHBondContact O-N 3.38Å; S288-L293 VanDerWaalsContact O-N 3.13Å; S288-L293 PolarHBondContact OG-O 3.29Å; V291-L293 VanDerWaalsContact C-N 3.29Å; V291-L293 HydrophobicContact CG2-CB 3.99Å; V291-L293 HydrophobicContact CG2-CD1 3.85Å; V291-L293 HydrophobicContact CG2-CG 3.82Å; V291-L293 PolarHBondContact O-N 3.21Å; L293-Q297 HydrophobicContact CB-CB 4.22Å; L293-V298 HydrophobicContact CB-CG2 4.11Å | ||
| 294 | T | 98.4 | Very high | 98.4 | Very high | 76 Ų | 76 | 65 Ų | 65 | 47% | 0.466 | 31% | 0.312 | S | S | . | . | trans | -64.7 | 147.3 | 173.6 | 62 | 0 | 0 | 0 | 0 | 111.6 | R296 Q297 V298 | T294-R296 PolarHBondContact O-N 3.37Å; T294-R296 VanDerWaalsContact O-N 3.07Å; T294-Q297 WeakPolarHBondContact O-CA 3.41Å; T294-Q297 WeakPolarHBondContact O-CB 3.38Å; T294-Q297 PolarHBondContact O-N 3.16Å; T294-Q297 WeakPolarHBondContact OG1-CG 3.47Å; T294-Q297 PolarHBondContact OG1-N 3.09Å; T294-Q297 PolarHBondContact OG1-OE1 2.95Å; T294-V298 PolarHBondContact O-N 3.42Å | ||
| 295 | D | 98.3 | Very high | 98.4 | Very high | 36 Ų | 36 | 65.4 Ų | 65.4 | 19% | 0.193 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -50.4 | -34.1 | 172.5 | 152.7 | 89.9 | 0 | 0 | 0 | 112.3 | R281 R284 L285 S288 V298 K299 | R281-D295 IonicContact NH1-OD1 2.83Å; R281-D295 PolarHBondContact NH1-OD1 3.25Å; R281-D295 IonicContact NH1-OD2 3.59Å; R281-D295 PolarHBondContact NH1-OD2 3.42Å; R284-D295 VanDerWaalsContact CD-OD1 3.27Å; R284-D295 WeakPolarHBondContact CD-OD1 3.49Å; R284-D295 WeakPolarHBondContact CG-OD1 3.34Å; R284-D295 IonicContact CZ-OD1 2.78Å; R284-D295 IonicContact NE-OD1 2.85Å; R284-D295 PolarHBondContact NE-OD1 3.25Å; L285-D295 HydrophobicContact CD2-CB 4.1Å; S288-D295 PolarHBondContact OG-N 3.2Å; S288-D295 VanDerWaalsContact OG-N 3.15Å; D295-V298 PolarHBondContact O-N 2.86Å; D295-K299 VanDerWaalsContact O-CB 3.26Å; D295-K299 WeakPolarHBondContact O-CB 3.27Å; D295-K299 PolarHBondContact O-N 2.86Å |
| 296 | R | 98.1 | Very high | 98.4 | Very high | 178 Ų | 178 | 66.3 Ų | 66.3 | 67% | 0.672 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -64.7 | -41.4 | 173 | -171.7 | 176.1 | -178 | -83.3 | 0 | 112.7 | T294 I300 | T294-R296 PolarHBondContact O-N 3.37Å; T294-R296 VanDerWaalsContact O-N 3.07Å; R296-I300 HydrophobicContact CG-CD1 3.97Å; R296-I300 WeakPolarHBondContact O-CB 3.32Å; R296-I300 WeakPolarHBondContact O-CD1 3.5Å; R296-I300 VanDerWaalsContact O-CG1 3.23Å; R296-I300 WeakPolarHBondContact O-CG1 3.33Å; R296-I300 PolarHBondContact O-N 3.37Å |
| 297 | Q | 98.3 | Very high | 98.4 | Very high | 65 Ų | 65 | 68.1 Ų | 68.1 | 30% | 0.304 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 174.1 | -77.1 | 162.4 | -68.3 | 0 | 0 | 111.4 | L293 T294 I300 W301 | L293-Q297 HydrophobicContact CB-CB 4.22Å; T294-Q297 WeakPolarHBondContact O-CA 3.41Å; T294-Q297 WeakPolarHBondContact O-CB 3.38Å; T294-Q297 PolarHBondContact O-N 3.16Å; T294-Q297 WeakPolarHBondContact OG1-CG 3.47Å; T294-Q297 PolarHBondContact OG1-N 3.09Å; T294-Q297 PolarHBondContact OG1-OE1 2.95Å; Q297-I300 PolarHBondContact O-N 3.04Å; Q297-W301 WeakPolarHBondContact O-CB 3.32Å; Q297-W301 PolarHBondContact O-N 3.37Å |
| 298 | V | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 176.5 | -175.7 | 0 | 0 | 0 | 0 | 110.8 | L269 L279 R284 I287 L293 T294 D295 I300 W301 F302 | L269-V298 HydrophobicContact CD2-CG1 3.92Å; L269-V298 HydrophobicContact CD2-CG2 4.42Å; L279-V298 HydrophobicContact CD1-CG1 3.77Å; R284-V298 HydrophobicContact CG-CB 3.95Å; R284-V298 HydrophobicContact CG-CG1 3.79Å; I287-V298 HydrophobicContact CB-CG1 4.46Å; I287-V298 HydrophobicContact CG2-CG1 3.96Å; I287-V298 HydrophobicContact CG2-CG2 4.3Å; L293-V298 HydrophobicContact CB-CG2 4.11Å; T294-V298 PolarHBondContact O-N 3.42Å; D295-V298 PolarHBondContact O-N 2.86Å; V298-I300 PolarHBondContact O-N 3.28Å; V298-W301 PolarHBondContact O-N 3.19Å; V298-F302 HydrophobicContact CG1-CD2 3.96Å; V298-F302 HydrophobicContact CG1-CE2 4.14Å; V298-F302 WeakPolarHBondContact O-CD2 3.29Å; V298-F302 PolarHBondContact O-N 3.05Å |
| 299 | K | 98.4 | Very high | 98.3 | Very high | 123 Ų | 123 | 75.9 Ų | 75.9 | 54% | 0.535 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.2 | -45.8 | 175.1 | -175.6 | 176.9 | 179.4 | 178.3 | 0 | 112.1 | D295 Q303 | D295-K299 VanDerWaalsContact O-CB 3.26Å; D295-K299 WeakPolarHBondContact O-CB 3.27Å; D295-K299 PolarHBondContact O-N 2.86Å; K299-Q303 PolarHBondContact O-N 3.44Å; K299-Q303 VanDerWaalsContact O-N 3.07Å |
| 300 | I | 98.5 | Very high | 98.2 | Very high | 53 Ų | 53 | 74.2 Ų | 74.2 | 27% | 0.272 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 178 | -71.8 | 167.8 | 0 | 0 | 0 | 111.1 | R296 Q297 V298 Q303 N304 | R296-I300 HydrophobicContact CG-CD1 3.97Å; R296-I300 WeakPolarHBondContact O-CB 3.32Å; R296-I300 WeakPolarHBondContact O-CD1 3.5Å; R296-I300 VanDerWaalsContact O-CG1 3.23Å; R296-I300 WeakPolarHBondContact O-CG1 3.33Å; R296-I300 PolarHBondContact O-N 3.37Å; Q297-I300 PolarHBondContact O-N 3.04Å; V298-I300 PolarHBondContact O-N 3.28Å; I300-Q303 PolarHBondContact O-N 2.93Å; I300-N304 WeakPolarHBondContact O-CB 3.45Å; I300-N304 PolarHBondContact O-N 2.78Å; I300-N304 PolarHBondContact O-ND2 2.94Å |
| 301 | W | 98.6 | Very high | 98.1 | Very high | 27 Ų | 27 | 77.4 Ų | 77.4 | 10% | 0.102 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.7 | -46.3 | 177.3 | -171.7 | 106.9 | 0 | 0 | 0 | 110.9 | Y261 L269 E270 F273 Q297 V298 Q303 N304 R305 | Y261-W301 AromaticContact CD2-CD1 3.87Å; Y261-W301 AromaticContact CE2-CD1 3.77Å; L269-W301 VanDerWaalsContact C-CH2 3.46Å; L269-W301 HydrophobicContact CB-CD2 3.91Å; L269-W301 HydrophobicContact CB-CE3 3.95Å; L269-W301 HydrophobicContact CB-CH2 3.74Å; L269-W301 HydrophobicContact CB-CZ2 3.67Å; L269-W301 HydrophobicContact CB-CZ3 3.87Å; L269-W301 HydrophobicContact CD1-CB 4.44Å; L269-W301 HydrophobicContact CD1-CD2 3.92Å; L269-W301 HydrophobicContact CD1-CG 3.81Å; L269-W301 HydrophobicContact CD2-CE3 4.42Å; L269-W301 HydrophobicContact CG-CD2 4.35Å; L269-W301 VanDerWaalsContact O-CH2 3.32Å; L269-W301 WeakPolarHBondContact O-CH2 3.34Å; L269-W301 WeakPolarHBondContact O-CZ3 3.32Å; E270-W301 HydrophobicContact CB-CH2 4.45Å; E270-W301 HydrophobicContact CG-CH2 3.67Å; E270-W301 HydrophobicContact CG-CZ2 3.65Å; F273-W301 HydrophobicContact CB-CH2 4.21Å; F273-W301 HydrophobicContact CB-CZ3 4.02Å; F273-W301 HydrophobicContact CD2-CZ3 4.35Å; F273-W301 HydrophobicContact CG-CZ3 4.36Å; Q297-W301 WeakPolarHBondContact O-CB 3.32Å; Q297-W301 PolarHBondContact O-N 3.37Å; V298-W301 PolarHBondContact O-N 3.19Å; W301-Q303 VanDerWaalsContact C-N 3.31Å; W301-Q303 PolarHBondContact O-N 3.21Å; W301-N304 CarbonylContact O-C 3.6Å; W301-N304 PolarHBondContact O-N 2.83Å; W301-N304 VanDerWaalsContact O-N 3.17Å; W301-R305 HydrophobicContact CD2-CB 4.45Å; W301-R305 HydrophobicContact CE3-CB 3.9Å; W301-R305 HydrophobicContact CE3-CG 4.44Å; W301-R305 HydrophobicContact CH2-CB 3.91Å; W301-R305 HydrophobicContact CH2-CG 3.56Å; W301-R305 HydrophobicContact CZ2-CB 4.47Å; W301-R305 HydrophobicContact CZ2-CG 4.28Å; W301-R305 HydrophobicContact CZ3-CB 3.6Å; W301-R305 HydrophobicContact CZ3-CG 3.66Å; W301-R305 WeakPolarHBondContact O-CB 3.33Å; W301-R305 PolarHBondContact O-N 3.49Å |
| 302 | F | 98.8 | Very high | 98 | Very high | 8 Ų | 8 | 81.7 Ų | 81.7 | 4% | 0.035 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.2 | -28.7 | 177.1 | -91.3 | -102.9 | 0 | 0 | 0 | 113.4 | L269 E272 F273 L279 V298 R306 | L269-F302 HydrophobicContact CD2-CD2 4.46Å; L269-F302 HydrophobicContact CD2-CE2 3.91Å; E272-F302 HydrophobicContact CB-CZ 4.02Å; F273-F302 HydrophobicContact CB-CE1 4.04Å; F273-F302 HydrophobicContact CB-CZ 4.13Å; F273-F302 AromaticContact CD2-CD1 3.84Å; F273-F302 HydrophobicContact CD2-CD1 3.84Å; F273-F302 AromaticContact CD2-CE1 3.78Å; F273-F302 HydrophobicContact CD2-CE1 3.78Å; F273-F302 HydrophobicContact CG-CE1 4.43Å; L279-F302 HydrophobicContact CD1-CD1 4.07Å; L279-F302 HydrophobicContact CD1-CD2 3.64Å; L279-F302 HydrophobicContact CD1-CE1 3.93Å; L279-F302 HydrophobicContact CD1-CE2 3.52Å; L279-F302 HydrophobicContact CD1-CG 3.94Å; L279-F302 HydrophobicContact CD1-CZ 3.67Å; L279-F302 HydrophobicContact CD2-CD1 4.5Å; L279-F302 HydrophobicContact CD2-CE1 3.83Å; L279-F302 HydrophobicContact CD2-CZ 3.9Å; L279-F302 HydrophobicContact CG-CD1 3.78Å; L279-F302 HydrophobicContact CG-CD2 4.29Å; L279-F302 HydrophobicContact CG-CE1 3.58Å; L279-F302 HydrophobicContact CG-CE2 4.14Å; L279-F302 HydrophobicContact CG-CG 4.14Å; L279-F302 HydrophobicContact CG-CZ 3.8Å; V298-F302 HydrophobicContact CG1-CD2 3.96Å; V298-F302 HydrophobicContact CG1-CE2 4.14Å; V298-F302 WeakPolarHBondContact O-CD2 3.29Å; V298-F302 PolarHBondContact O-N 3.05Å; F302-R306 WeakPolarHBondContact O-CG 3.38Å; F302-R306 PolarHBondContact O-N 3.46Å; F302-R306 PolarHBondContact O-NE 3.48Å; F302-R306 VanDerWaalsContact O-NE 3.07Å |
| 303 | Q | 98.6 | Very high | 97.8 | Very high | 107 Ų | 107 | 80.4 Ų | 80.4 | 50% | 0.5 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.1 | -48 | 170 | -172.3 | 172.6 | 5.4 | 0 | 0 | 111 | K299 I300 W301 R305 R306 M307 | K299-Q303 PolarHBondContact O-N 3.44Å; K299-Q303 VanDerWaalsContact O-N 3.07Å; I300-Q303 PolarHBondContact O-N 2.93Å; W301-Q303 VanDerWaalsContact C-N 3.31Å; W301-Q303 PolarHBondContact O-N 3.21Å; Q303-R305 PolarHBondContact O-N 2.88Å; Q303-R306 PolarHBondContact O-N 2.83Å; Q303-M307 WeakPolarHBondContact O-CG 3.39Å; Q303-M307 PolarHBondContact O-N 3.06Å; Q303-M307 VanDerWaalsContact O-N 3.09Å |
| 304 | N | 98.4 | Very high | 97.5 | Very high | 99 Ų | 99 | 88.5 Ų | 88.5 | 53% | 0.529 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.3 | -38.7 | 178 | -68 | -13.4 | 0 | 0 | 0 | 112.1 | I300 W301 M307 K308 | I300-N304 WeakPolarHBondContact O-CB 3.45Å; I300-N304 PolarHBondContact O-N 2.78Å; I300-N304 PolarHBondContact O-ND2 2.94Å; W301-N304 CarbonylContact O-C 3.6Å; W301-N304 PolarHBondContact O-N 2.83Å; W301-N304 VanDerWaalsContact O-N 3.17Å; N304-M307 PolarHBondContact O-N 2.74Å; N304-K308 PolarHBondContact O-N 3.18Å |
| 305 | R | 98.5 | Very high | 97.3 | Very high | 48 Ų | 48 | 88.4 Ų | 88.4 | 18% | 0.181 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.5 | -38.8 | -179.3 | -170.3 | 63.5 | 178.5 | 71.9 | -5 | 112.6 | E270 F273 W301 Q303 K308 L309 | E270-R305 IonicContact OE1-CZ 2.75Å; E270-R305 IonicContact OE1-NE 3.14Å; E270-R305 PolarHBondContact OE1-NE 2.94Å; E270-R305 IonicContact OE1-NH2 2.73Å; E270-R305 PolarHBondContact OE1-NH2 3.25Å; F273-R305 HydrophobicContact CB-CG 4.49Å; F273-R305 HydrophobicContact CD1-CG 3.71Å; F273-R305 HydrophobicContact CD2-CB 4.11Å; F273-R305 HydrophobicContact CD2-CG 3.67Å; F273-R305 HydrophobicContact CE1-CG 3.76Å; F273-R305 HydrophobicContact CE2-CB 4.03Å; F273-R305 HydrophobicContact CE2-CG 3.74Å; F273-R305 HydrophobicContact CG-CG 3.67Å; F273-R305 HydrophobicContact CZ-CB 4.39Å; F273-R305 HydrophobicContact CZ-CG 3.77Å; W301-R305 HydrophobicContact CD2-CB 4.45Å; W301-R305 HydrophobicContact CE3-CB 3.9Å; W301-R305 HydrophobicContact CE3-CG 4.44Å; W301-R305 HydrophobicContact CH2-CB 3.91Å; W301-R305 HydrophobicContact CH2-CG 3.56Å; W301-R305 HydrophobicContact CZ2-CB 4.47Å; W301-R305 HydrophobicContact CZ2-CG 4.28Å; W301-R305 HydrophobicContact CZ3-CB 3.6Å; W301-R305 HydrophobicContact CZ3-CG 3.66Å; W301-R305 WeakPolarHBondContact O-CB 3.33Å; W301-R305 PolarHBondContact O-N 3.49Å; Q303-R305 PolarHBondContact O-N 2.88Å; R305-K308 PolarHBondContact O-N 3.37Å; R305-L309 PolarHBondContact O-N 3.4Å |
| 306 | R | 98.4 | Very high | 96.9 | Very high | 82 Ų | 82 | 89.2 Ų | 89.2 | 31% | 0.309 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 170.4 | -71.1 | -179.4 | -71.1 | 144.5 | -3.4 | 112 | F273 M277 F302 Q303 L309 K310 | F273-R306 HydrophobicContact CE2-CG 3.69Å; F273-R306 HydrophobicContact CZ-CG 4.05Å; M277-R306 WeakPolarHBondContact O-CD 3.01Å; F302-R306 WeakPolarHBondContact O-CG 3.38Å; F302-R306 PolarHBondContact O-N 3.46Å; F302-R306 PolarHBondContact O-NE 3.48Å; F302-R306 VanDerWaalsContact O-NE 3.07Å; Q303-R306 PolarHBondContact O-N 2.83Å; R306-L309 PolarHBondContact O-N 3.02Å; R306-K310 PolarHBondContact O-N 2.93Å |
| 307 | M | 98.4 | Very high | 96.6 | Very high | 104 Ų | 104 | 88.9 Ų | 88.9 | 51% | 0.512 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.7 | -38.9 | 176.2 | -69.9 | -61.2 | -69.7 | 0 | 0 | 112.6 | Q303 N304 K310 K311 | Q303-M307 WeakPolarHBondContact O-CG 3.39Å; Q303-M307 PolarHBondContact O-N 3.06Å; Q303-M307 VanDerWaalsContact O-N 3.09Å; N304-M307 PolarHBondContact O-N 2.74Å; M307-K310 PolarHBondContact O-N 3.01Å; M307-K311 PolarHBondContact O-N 2.86Å |
| 308 | K | 97.6 | Very high | 96.2 | Very high | 135 Ų | 135 | 89.8 Ų | 89.8 | 59% | 0.587 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -60.8 | -46 | 172.1 | -173.5 | -177.8 | 177.8 | -172.6 | 0 | 111.2 | N304 R305 K311 M312 | N304-K308 PolarHBondContact O-N 3.18Å; R305-K308 PolarHBondContact O-N 3.37Å; K308-K311 PolarHBondContact O-N 3.23Å; K308-M312 WeakPolarHBondContact O-CB 3.28Å; K308-M312 PolarHBondContact O-N 3.26Å |
| 309 | L | 97.3 | Very high | 95.7 | Very high | 54 Ų | 54 | 96.6 Ų | 96.6 | 28% | 0.283 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60 | -47.5 | 176.2 | -178.5 | 65.1 | 0 | 0 | 0 | 111.7 | F273 M277 R305 R306 K311 M312 N313 | F273-L309 HydrophobicContact CE1-CD2 4.34Å; F273-L309 HydrophobicContact CZ-CD2 4.25Å; M277-L309 HydrophobicContact CE-CD2 3.5Å; M277-L309 HydrophobicContact SD-CD2 4.17Å; R305-L309 PolarHBondContact O-N 3.4Å; R306-L309 PolarHBondContact O-N 3.02Å; L309-K311 PolarHBondContact O-N 3.28Å; L309-M312 HydrophobicContact CD1-CE 4.15Å; L309-M312 PolarHBondContact O-N 3Å; L309-N313 WeakPolarHBondContact O-CB 3.27Å; L309-N313 PolarHBondContact O-N 3.44Å |
| 310 | K | 97.3 | Very high | 95.2 | Very high | 139 Ų | 139 | 95.9 Ų | 95.9 | 60% | 0.604 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62.3 | -39.3 | 177.7 | -173.1 | 172 | 67.3 | 173 | 0 | 112.5 | R306 M307 R314 | R306-K310 PolarHBondContact O-N 2.93Å; M307-K310 PolarHBondContact O-N 3.01Å; K310-R314 PolarHBondContact O-N 3.34Å |
| 311 | K | 96.4 | Very high | 94.5 | Very high | 137 Ų | 137 | 98.3 Ų | 98.3 | 60% | 0.596 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62.3 | -52.7 | 173.4 | -169.3 | -166 | -177.5 | -118.8 | 0 | 110.4 | M307 K308 L309 N313 R314 E315 | M307-K311 PolarHBondContact O-N 2.86Å; K308-K311 PolarHBondContact O-N 3.23Å; L309-K311 PolarHBondContact O-N 3.28Å; K311-N313 VanDerWaalsContact C-N 3.34Å; K311-N313 PolarHBondContact O-N 2.94Å; K311-R314 PolarHBondContact O-N 2.93Å; K311-E315 WeakPolarHBondContact CE-OE2 3.47Å; K311-E315 IonicContact NZ-OE2 3.79Å; K311-E315 PolarHBondContact NZ-OE2 2.87Å; K311-E315 VanDerWaalsContact O-CB 3.32Å; K311-E315 WeakPolarHBondContact O-CB 3.42Å; K311-E315 PolarHBondContact O-N 2.71Å |
| 312 | M | 94.7 | Very high | 93.8 | Very high | 92 Ų | 92 | 100.7 Ų | 100.7 | 45% | 0.453 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.8 | -42.6 | -177 | -170.3 | 179.9 | 81.5 | 0 | 0 | 112.3 | K308 L309 E315 N316 | K308-M312 WeakPolarHBondContact O-CB 3.28Å; K308-M312 PolarHBondContact O-N 3.26Å; L309-M312 HydrophobicContact CD1-CE 4.15Å; L309-M312 PolarHBondContact O-N 3Å; M312-E315 PolarHBondContact O-N 2.77Å; M312-N316 VanDerWaalsContact O-CG 3.31Å; M312-N316 PolarHBondContact O-N 2.87Å; M312-N316 PolarHBondContact O-OD1 3.21Å; M312-N316 VanDerWaalsContact O-OD1 3.13Å |
| 313 | N | 93.8 | Very high | 92.7 | Very high | 113 Ų | 113 | 103.2 Ų | 103.2 | 60% | 0.604 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65.8 | -40.1 | 177.4 | -178.1 | -99.4 | 0 | 0 | 0 | 112.6 | L309 K311 R317 | L309-N313 WeakPolarHBondContact O-CB 3.27Å; L309-N313 PolarHBondContact O-N 3.44Å; K311-N313 VanDerWaalsContact C-N 3.34Å; K311-N313 PolarHBondContact O-N 2.94Å; N313-R317 PolarHBondContact O-N 3.46Å; N313-R317 VanDerWaalsContact O-N 3.16Å |
| 314 | R | 92.9 | Very high | 91.1 | Very high | 182 Ų | 182 | 104 Ų | 104 | 69% | 0.687 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.9 | -40.9 | 171.7 | -179.5 | 177.2 | 178 | 175.6 | 0.7 | 111.8 | K310 K311 R317 I318 | K310-R314 PolarHBondContact O-N 3.34Å; K311-R314 PolarHBondContact O-N 2.93Å; R314-R317 PolarHBondContact O-N 3.16Å; R314-I318 HydrophobicContact CG-CD1 3.93Å; R314-I318 VanDerWaalsContact O-CG1 3.28Å; R314-I318 WeakPolarHBondContact O-CG1 3.47Å; R314-I318 PolarHBondContact O-N 3.13Å |
| 315 | E | 92.5 | Very high | 89.5 | Confident | 75 Ų | 75 | 105.8 Ų | 105.8 | 35% | 0.35 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.8 | -35.4 | -179.3 | -164 | 173 | 127.6 | 0 | 0 | 112.1 | K311 M312 R319 | K311-E315 WeakPolarHBondContact CE-OE2 3.47Å; K311-E315 IonicContact NZ-OE2 3.79Å; K311-E315 PolarHBondContact NZ-OE2 2.87Å; K311-E315 VanDerWaalsContact O-CB 3.32Å; K311-E315 WeakPolarHBondContact O-CB 3.42Å; K311-E315 PolarHBondContact O-N 2.71Å; M312-E315 PolarHBondContact O-N 2.77Å; E315-R319 WeakPolarHBondContact O-CG 3.36Å; E315-R319 PolarHBondContact O-N 3.45Å; E315-R319 PolarHBondContact O-NE 3.05Å |
| 316 | N | 91.3 | Very high | 87.7 | Confident | 53 Ų | 53 | 108.6 Ų | 108.6 | 28% | 0.283 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.6 | -53.3 | 171.1 | -73.2 | 15.2 | 0 | 0 | 0 | 111.3 | M312 I318 R319 E320 | M312-N316 VanDerWaalsContact O-CG 3.31Å; M312-N316 PolarHBondContact O-N 2.87Å; M312-N316 PolarHBondContact O-OD1 3.21Å; M312-N316 VanDerWaalsContact O-OD1 3.13Å; N316-I318 PolarHBondContact O-N 2.88Å; N316-R319 WeakPolarHBondContact O-CA 3.34Å; N316-R319 PolarHBondContact O-N 3.48Å; N316-R319 PolarHBondContact OD1-NH2 2.98Å; N316-E320 WeakPolarHBondContact O-CG 3.49Å; N316-E320 PolarHBondContact O-N 3.45Å |
| 317 | R | 90.4 | Very high | 85.4 | Confident | 171 Ų | 171 | 113.8 Ų | 113.8 | 65% | 0.645 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -55.2 | -39.4 | 176.3 | 176 | 179 | -79.9 | -158.1 | -4.3 | 112.6 | N313 R314 L321 | N313-R317 PolarHBondContact O-N 3.46Å; N313-R317 VanDerWaalsContact O-N 3.16Å; R314-R317 PolarHBondContact O-N 3.16Å; R317-L321 HydrophobicContact CG-CD1 3.97Å; R317-L321 HydrophobicContact CG-CG 4.49Å; R317-L321 WeakPolarHBondContact O-CB 3.47Å; R317-L321 VanDerWaalsContact O-CG 3.27Å; R317-L321 WeakPolarHBondContact O-CG 3.4Å; R317-L321 PolarHBondContact O-N 3.08Å |
| 318 | I | 90 | Very high | 82.8 | Confident | 84 Ų | 84 | 117.2 Ų | 117.2 | 43% | 0.431 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.3 | -46.9 | 176 | -69.8 | 166.9 | 0 | 0 | 0 | 110.2 | R314 N316 E320 L321 T322 | R314-I318 HydrophobicContact CG-CD1 3.93Å; R314-I318 VanDerWaalsContact O-CG1 3.28Å; R314-I318 WeakPolarHBondContact O-CG1 3.47Å; R314-I318 PolarHBondContact O-N 3.13Å; N316-I318 PolarHBondContact O-N 2.88Å; I318-E320 PolarHBondContact O-N 3.28Å; I318-L321 PolarHBondContact O-N 3.27Å; I318-T322 WeakPolarHBondContact O-CB 3.49Å; I318-T322 PolarHBondContact O-N 3.06Å; I318-T322 PolarHBondContact O-OG1 2.85Å; I318-T322 VanDerWaalsContact O-OG1 3.08Å |
| 319 | R | 89.9 | Confident | 82.1 | Confident | 143 Ų | 143 | 116.4 Ų | 116.4 | 54% | 0.54 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.2 | -41.6 | 178.5 | -74.4 | -175.7 | -69.4 | 178.2 | 0.1 | 112.7 | E315 N316 T322 S323 | E315-R319 WeakPolarHBondContact O-CG 3.36Å; E315-R319 PolarHBondContact O-N 3.45Å; E315-R319 PolarHBondContact O-NE 3.05Å; N316-R319 WeakPolarHBondContact O-CA 3.34Å; N316-R319 PolarHBondContact O-N 3.48Å; N316-R319 PolarHBondContact OD1-NH2 2.98Å; R319-T322 PolarHBondContact O-N 3.33Å; R319-S323 WeakPolarHBondContact O-CB 3.49Å; R319-S323 PolarHBondContact O-N 3.07Å; R319-S323 PolarHBondContact O-OG 3.42Å; R319-S323 VanDerWaalsContact O-OG 3.12Å |
| 320 | E | 86.3 | Confident | 81.3 | Confident | 107 Ų | 107 | 119.6 Ų | 119.6 | 50% | 0.5 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60.2 | -44.3 | 174.5 | -68.8 | 152.1 | -152.7 | 0 | 0 | 111.8 | N316 I318 S323 N324 | N316-E320 WeakPolarHBondContact O-CG 3.49Å; N316-E320 PolarHBondContact O-N 3.45Å; I318-E320 PolarHBondContact O-N 3.28Å; E320-S323 PolarHBondContact O-OG 3.34Å; E320-N324 PolarHBondContact O-N 3.33Å; E320-N324 PolarHBondContact O-ND2 3.18Å; E320-N324 PolarHBondContact O-OD1 2.97Å |
| 321 | L | 83.9 | Confident | 80.4 | Confident | 104 Ų | 104 | 118.6 Ų | 118.6 | 55% | 0.545 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.6 | -40.6 | 176.1 | -71.1 | 168.6 | 0 | 0 | 0 | 112 | R317 I318 L325 | R317-L321 HydrophobicContact CG-CD1 3.97Å; R317-L321 HydrophobicContact CG-CG 4.49Å; R317-L321 WeakPolarHBondContact O-CB 3.47Å; R317-L321 VanDerWaalsContact O-CG 3.27Å; R317-L321 WeakPolarHBondContact O-CG 3.4Å; R317-L321 PolarHBondContact O-N 3.08Å; I318-L321 PolarHBondContact O-N 3.27Å; L321-L325 WeakPolarHBondContact O-CD1 3.47Å; L321-L325 WeakPolarHBondContact O-CG 3.19Å; L321-L325 PolarHBondContact O-N 3.09Å |
| 322 | T | 84.3 | Confident | 79.5 | Confident | 77 Ų | 77 | 117.5 Ų | 117.5 | 47% | 0.472 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.8 | -41.6 | 178.5 | -59.6 | 0 | 0 | 0 | 0 | 112.2 | I318 R319 N324 L325 T326 | I318-T322 WeakPolarHBondContact O-CB 3.49Å; I318-T322 PolarHBondContact O-N 3.06Å; I318-T322 PolarHBondContact O-OG1 2.85Å; I318-T322 VanDerWaalsContact O-OG1 3.08Å; R319-T322 PolarHBondContact O-N 3.33Å; T322-N324 PolarHBondContact O-N 3.25Å; T322-L325 PolarHBondContact O-N 3.34Å; T322-L325 VanDerWaalsContact O-N 3.09Å; T322-T326 PolarHBondContact O-N 3.34Å; T322-T326 PolarHBondContact O-OG1 3.12Å |
| 323 | S | 76.4 | Confident | 78.5 | Confident | 62 Ų | 62 | 119.1 Ų | 119.1 | 43% | 0.434 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -61 | -36.9 | 177.9 | 54.7 | 0 | 0 | 0 | 0 | 112.2 | R319 E320 L325 T326 | R319-S323 WeakPolarHBondContact O-CB 3.49Å; R319-S323 PolarHBondContact O-N 3.07Å; R319-S323 PolarHBondContact O-OG 3.42Å; R319-S323 VanDerWaalsContact O-OG 3.12Å; E320-S323 PolarHBondContact O-OG 3.34Å; S323-L325 VanDerWaalsContact C-N 3.26Å; S323-L325 PolarHBondContact O-N 2.92Å; S323-T326 WeakPolarHBondContact CA-OG1 3.47Å; S323-T326 PolarHBondContact O-N 3.39Å; S323-T326 PolarHBondContact O-OG1 3.39Å |
| 324 | N | 65.3 | Low | 77.5 | Confident | 122 Ų | 122 | 119.5 Ų | 119.5 | 65% | 0.652 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -74.8 | -16 | 179.3 | -62.3 | 0.4 | 0 | 0 | 0 | 112.9 | E320 T322 | E320-N324 PolarHBondContact O-N 3.33Å; E320-N324 PolarHBondContact O-ND2 3.18Å; E320-N324 PolarHBondContact O-OD1 2.97Å; T322-N324 PolarHBondContact O-N 3.25Å |
| 325 | L | 64.8 | Low | 76.4 | Confident | 138 Ų | 138 | 115 Ų | 115 | 72% | 0.723 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -92.9 | -12.7 | 175.4 | -75.1 | 165 | 0 | 0 | 0 | 113.3 | L321 T322 S323 | L321-L325 WeakPolarHBondContact O-CD1 3.47Å; L321-L325 WeakPolarHBondContact O-CG 3.19Å; L321-L325 PolarHBondContact O-N 3.09Å; T322-L325 PolarHBondContact O-N 3.34Å; T322-L325 VanDerWaalsContact O-N 3.09Å; S323-L325 VanDerWaalsContact C-N 3.26Å; S323-L325 PolarHBondContact O-N 2.92Å |
| 326 | T | 60 | Low | 75.2 | Confident | 107 Ų | 107 | 118.1 Ų | 118.1 | 66% | 0.656 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -92.5 | 13.3 | 179.2 | 41.2 | 0 | 0 | 0 | 0 | 114.5 | T322 S323 | T322-T326 PolarHBondContact O-N 3.34Å; T322-T326 PolarHBondContact O-OG1 3.12Å; S323-T326 WeakPolarHBondContact CA-OG1 3.47Å; S323-T326 PolarHBondContact O-N 3.39Å; S323-T326 PolarHBondContact O-OG1 3.39Å |
| 327 | F | 50.5 | Low | 73.8 | Confident | 190 Ų | 190 | 123.5 Ų | 123.5 | 83% | 0.833 | 64% | 0.639 | S | S | * | * | trans | -141.9 | 54.2 | -178.5 | -152.5 | -93.6 | 0 | 0 | 0 | 112.1 | ||||
| 328 | S | 44.1 | Very low | 72.3 | Confident | 177 Ų | 177 | 119.2 Ų | 119.2 | 100% | 1.238 | 64% | 0.638 | S | S | * | * | trans | -154.3 | 0 | 172.1 | -65.4 | 0 | 0 | 0 | 0 | 109.6 |
Retrieved 328 of 328 residues in 1123 ms
(Link to these results)