| 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 | 38.1 | Very low | 39 | Very low | 195 Ų | 195 | 158.2 Ų | 158.2 | 96% | 0.961 | 75% | 0.751 | S | S | * | * | 0 | 114.7 | 0 | -178.3 | 123.7 | 71.4 | 0 | 0 | 108 | M3 | M1-M3 HydrophobicContact CG-SD 4.43Š| |||
| 2 | V | 38.4 | Very low | 39.5 | Very low | 66 Ų | 66 | 150.6 Ų | 150.6 | 40% | 0.4 | 75% | 0.746 | S | S | . | * | trans | -90.4 | 114.4 | -173.9 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | Y4 V146 | V2-Y4 HydrophobicContact CB-CE2 4.28Å; V2-Y4 HydrophobicContact CG1-CD2 4.01Å; V2-Y4 HydrophobicContact CG1-CE2 3.56Å; V2-V146 HydrophobicContact CG1-CG1 3.65Å; V2-V146 HydrophobicContact CG1-CG2 4.15Å | ||
| 3 | M | 38.2 | Very low | 38.8 | Very low | 132 Ų | 132 | 152.6 Ų | 152.6 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | B | Isolated β-bridge | trans | -98.5 | 98.6 | -178.9 | -66.1 | -67.5 | -73.5 | 0 | 0 | 110.1 | M1 A5 | M1-M3 HydrophobicContact CG-SD 4.43Å; M3-A5 PolarHBondContact O-N 2.77Å |
| 4 | Y | 38.6 | Very low | 38.5 | Very low | 173 Ų | 173 | 146.1 Ų | 146.1 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | trans | -76 | 118.1 | 172.8 | -70.3 | -84.3 | 0 | 0 | 0 | 110.6 | V2 R6 V146 | V2-Y4 HydrophobicContact CB-CE2 4.28Å; V2-Y4 HydrophobicContact CG1-CD2 4.01Å; V2-Y4 HydrophobicContact CG1-CE2 3.56Å; Y4-R6 PolarHBondContact O-N 3.06Å; Y4-V146 HydrophobicContact CD1-CG2 3.69Å; Y4-V146 HydrophobicContact CE1-CG2 3.35Å | ||
| 5 | A | 41.4 | Very low | 38 | Very low | 72 Ų | 72 | 145.3 Ų | 145.3 | 60% | 0.595 | 76% | 0.762 | S | S | * | * | trans | -78.6 | 83.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | M3 K7 | M3-A5 PolarHBondContact O-N 2.77Å; A5-K7 PolarHBondContact O-N 3.11Å | ||
| 6 | R | 37 | Very low | 38.1 | Very low | 246 Ų | 246 | 144.6 Ų | 144.6 | 93% | 0.928 | 76% | 0.76 | S | S | * | * | trans | -69.2 | 90.5 | -178.8 | -162.2 | -178.4 | -161.2 | -176.6 | 6.5 | 112 | Y4 | Y4-R6 PolarHBondContact O-N 3.06Š| ||
| 7 | K | 46.1 | Very low | 37.8 | Very low | 146 Ų | 146 | 150.3 Ų | 150.3 | 64% | 0.635 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 135.3 | 171.2 | -68.1 | 164.9 | -177 | 154.3 | 0 | 110.4 | A5 E145 | A5-K7 PolarHBondContact O-N 3.11Å; K7-E145 IonicContact NZ-OE1 2.66Å; K7-E145 PolarHBondContact NZ-OE1 2.97Å; K7-E145 IonicContact NZ-OE2 3.69Å; K7-E145 PolarHBondContact NZ-OE2 3.02Å |
| 8 | Q | 34.5 | Very low | 37.9 | Very low | 171 Ų | 171 | 153.7 Ų | 153.7 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 145.1 | 166.4 | -73.2 | -73.1 | 7 | 0 | 0 | 109.8 | R10 | Q8-R10 PolarHBondContact O-N 3.45Š|
| 9 | P | 36.6 | Very low | 37.6 | Very low | 118 Ų | 118 | 154.2 Ų | 154.2 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 126.4 | 176.5 | -16.8 | 30.7 | 0 | 0 | 0 | 111.2 | ||
| 10 | R | 40.1 | Very low | 37.4 | Very low | 243 Ų | 243 | 151.5 Ų | 151.5 | 92% | 0.917 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 122.4 | 159.9 | -86 | -172.9 | 167.7 | 147.5 | -1.3 | 108.9 | Q8 | Q8-R10 PolarHBondContact O-N 3.45Š|
| 11 | L | 40.4 | Very low | 37.1 | Very low | 178 Ų | 178 | 152.9 Ų | 152.9 | 93% | 0.932 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 133.7 | 163.4 | -78 | 162.8 | 0 | 0 | 0 | 108.6 | ||
| 12 | G | 44.5 | Very low | 37.5 | Very low | 67 Ų | 67 | 148.2 Ų | 148.2 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | trans | 86.6 | 87.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 13 | D | 31.1 | Very low | 37 | Very low | 177 Ų | 177 | 156.2 Ų | 156.2 | 95% | 0.947 | 78% | 0.784 | S | S | * | * | -154.1 | 148.5 | 110.7 | -112.7 | -25.8 | 0 | 0 | 0 | 110.8 | |||||
| 14 | G | 34 | Very low | 36.8 | Very low | 61 Ų | 61 | 157.7 Ų | 157.7 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | trans | -158.5 | 168 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 15 | C | 31.4 | Very low | 36.5 | Very low | 134 Ų | 134 | 156 Ų | 156 | 91% | 0.905 | 80% | 0.797 | S | S | * | * | trans | 74.8 | 96.2 | -175.5 | -54.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 16 | D | 38.7 | Very low | 36 | Very low | 135 Ų | 135 | 159.7 Ų | 159.7 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | -44.6 | 136.7 | 159.2 | 178.4 | -0.7 | 0 | 0 | 0 | 112.5 | R18 | D16-R18 PolarHBondContact OD1-N 3.45Š| ||
| 17 | R | 34 | Very low | 35.8 | Very low | 241 Ų | 241 | 157.1 Ų | 157.1 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | -148.9 | 113.4 | 150.7 | -128.5 | 175.9 | -171 | 140.3 | 4.1 | 111.5 | ||||
| 18 | R | 39.7 | Very low | 34.9 | Very low | 211 Ų | 211 | 161.3 Ų | 161.3 | 80% | 0.796 | 82% | 0.815 | S | S | * | * | trans | -79.6 | 133.9 | 169 | -58.7 | -157.6 | -62 | -116.2 | 6 | 111.4 | D16 | D16-R18 PolarHBondContact OD1-N 3.45Š| ||
| 19 | D | 32 | Very low | 34.6 | Very low | 163 Ų | 163 | 158.8 Ų | 158.8 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | trans | -148.8 | 162.5 | 150.7 | -108 | -45.7 | 0 | 0 | 0 | 110.2 | ||||
| 20 | S | 33.2 | Very low | 34.2 | Very low | 101 Ų | 101 | 158.1 Ų | 158.1 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | trans | -129 | 121.9 | -151.1 | -56.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 21 | Q | 32.3 | Very low | 33.7 | Very low | 181 Ų | 181 | 156.6 Ų | 156.6 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | trans | 63.2 | 175.2 | 156 | -63.5 | -69.9 | -18.9 | 0 | 0 | 116.3 | ||||
| 22 | P | 45.6 | Very low | 33.2 | Very low | 97 Ų | 97 | 153.8 Ų | 153.8 | 63% | 0.63 | 81% | 0.81 | S | S | * | * | cis | -117.7 | 174.2 | -21.4 | 38.4 | -26.5 | 0 | 0 | 0 | 112.6 | ||||
| 23 | Y | 28.8 | Very low | 32.6 | Very low | 234 Ų | 234 | 159.6 Ų | 159.6 | 92% | 0.918 | 82% | 0.819 | S | S | * | * | trans | -146.5 | 148.8 | 142.6 | -116.9 | -78.2 | 0 | 0 | 0 | 112.5 | ||||
| 24 | Q | 32.1 | Very low | 33.1 | Very low | 162 Ų | 162 | 157 Ų | 157 | 76% | 0.757 | 81% | 0.812 | S | S | * | * | trans | -91.6 | 143.3 | -165 | -63.3 | 173.1 | -9 | 0 | 0 | 113.6 | ||||
| 25 | T | 32.7 | Very low | 32.8 | Very low | 137 Ų | 137 | 157.8 Ų | 157.8 | 84% | 0.84 | 82% | 0.82 | S | S | * | * | trans | -87 | 109 | 160.3 | -61.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 26 | L | 31.2 | Very low | 32.6 | Very low | 151 Ų | 151 | 155.1 Ų | 155.1 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 123 | 174.2 | -143.3 | 75.4 | 0 | 0 | 0 | 110.6 | ||
| 27 | K | 32.8 | Very low | 32.2 | Very low | 192 Ų | 192 | 156.3 Ų | 156.3 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 148.6 | 176.9 | -70.9 | -173 | 177.2 | -177.5 | 0 | 111.4 | ||
| 28 | Y | 27.8 | Very low | 32.2 | Very low | 233 Ų | 233 | 150.9 Ų | 150.9 | 91% | 0.914 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 137.4 | 166.2 | -95.2 | -102.6 | 0 | 0 | 0 | 111.6 | ||
| 29 | S | 26.9 | Very low | 31.9 | Very low | 118 Ų | 118 | 150.1 Ų | 150.1 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 168.4 | 169.4 | -166.7 | 0 | 0 | 0 | 0 | 111.5 | ||
| 30 | S | 28.7 | Very low | 32.1 | Very low | 104 Ų | 104 | 150 Ų | 150 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -125.5 | 147.2 | -166.9 | -70.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 31 | K | 31 | Very low | 31.7 | Very low | 211 Ų | 211 | 152.3 Ų | 152.3 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | trans | 61.3 | 125 | 152 | -87.4 | 177.8 | 171.4 | 175.1 | 0 | 120.7 | ||||
| 32 | S | 29.4 | Very low | 31.9 | Very low | 120 Ų | 120 | 150.6 Ų | 150.6 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | -160.7 | 158.9 | 122.2 | 60.4 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 33 | H | 31.1 | Very low | 31.4 | Very low | 188 Ų | 188 | 151.8 Ų | 151.8 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | -162.8 | 126.5 | -176.7 | -153.1 | 44.3 | 0 | 0 | 0 | 112.6 | ||||
| 34 | P | 41.1 | Very low | 31.6 | Very low | 123 Ų | 123 | 151.9 Ų | 151.9 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | trans | -133.8 | 167 | 148.9 | 37.9 | -25.7 | 0 | 0 | 0 | 111.6 | ||||
| 35 | G | 27.8 | Very low | 31.6 | Very low | 77 Ų | 77 | 150.8 Ų | 150.8 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | cis | 157.9 | 122.6 | -7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 36 | G | 28.7 | Very low | 32.1 | Very low | 78 Ų | 78 | 149.1 Ų | 149.1 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 84.6 | 162.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 37 | E | 28.4 | Very low | 32.2 | Very low | 160 Ų | 160 | 147.4 Ų | 147.4 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | cis | -161.1 | 150.9 | -2.1 | -125.6 | -76.1 | 85.9 | 0 | 0 | 111.9 | ||||
| 38 | H | 36 | Very low | 31.9 | Very low | 128 Ų | 128 | 146.3 Ų | 146.3 | 59% | 0.593 | 77% | 0.77 | S | S | * | * | trans | 40.7 | 128.3 | 153.4 | -101.9 | 45.9 | 0 | 0 | 0 | 128 | ||||
| 39 | R | 33.1 | Very low | 32.4 | Very low | 194 Ų | 194 | 141.9 Ų | 141.9 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | 71.2 | 155.7 | 128.5 | -130.8 | 167.7 | 178.5 | -176.5 | 12.1 | 117.6 | |||||
| 40 | H | 35.1 | Very low | 32.7 | Very low | 162 Ų | 162 | 142.2 Ų | 142.2 | 75% | 0.75 | 76% | 0.764 | S | S | * | * | cis | -141.3 | 174.5 | 26.2 | -84.7 | -101.7 | 0 | 0 | 0 | 115.5 | ||||
| 41 | E | 25.8 | Very low | 34.3 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | trans | -107.7 | 163.8 | -179.2 | -171.5 | -146.3 | 133.7 | 0 | 0 | 111.9 | ||||
| 42 | K | 36.7 | Very low | 35.2 | Very low | 146 Ų | 146 | 138.5 Ų | 138.5 | 64% | 0.635 | 76% | 0.759 | S | S | * | * | 118.6 | 119.5 | 128.3 | -151 | 174.3 | -152 | 85.8 | 0 | 120.3 | |||||
| 43 | T | 34.4 | Very low | 35.2 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | trans | 63.5 | 157.2 | 149.8 | 50.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 44 | R | 33.1 | Very low | 35.3 | Very low | 237 Ų | 237 | 139.1 Ų | 139.1 | 89% | 0.894 | 76% | 0.759 | S | S | * | * | cis | -169.7 | 151.2 | -18.8 | 172.9 | 171.6 | -175.2 | 145.9 | -0 | 110 | ||||
| 45 | D | 31.2 | Very low | 35.3 | Very low | 138 Ų | 138 | 142 Ų | 142 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | trans | -80.9 | 152.3 | -179.2 | -165 | 16.2 | 0 | 0 | 0 | 113.2 | ||||
| 46 | P | 44.5 | Very low | 35.5 | Very low | 102 Ų | 102 | 146 Ų | 146 | 66% | 0.662 | 77% | 0.766 | S | S | * | * | -159.5 | 158.1 | 94.6 | 42.7 | -22.6 | 0 | 0 | 0 | 120.6 | |||||
| 47 | T | 33 | Very low | 36 | Very low | 115 Ų | 115 | 152.3 Ų | 152.3 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | 67.3 | 119.1 | 141.7 | 46.7 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 48 | E | 26.8 | Very low | 36.1 | Very low | 169 Ų | 169 | 156 Ų | 156 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | 70.5 | 128.6 | 119.8 | -166.3 | 166.7 | -155.8 | 0 | 0 | 124.4 | |||||
| 49 | V | 37.1 | Very low | 36.2 | Very low | 140 Ų | 140 | 154.3 Ų | 154.3 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | -179.1 | 154.2 | 131.5 | 146.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 50 | T | 34 | Very low | 36 | Very low | 126 Ų | 126 | 152.4 Ų | 152.4 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | -122.5 | -177.9 | -164.4 | 18.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 51 | P | 61.9 | Low | 35.9 | Very low | 111 Ų | 111 | 148.7 Ų | 148.7 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | trans | -114.1 | 175.7 | -155.5 | 44.3 | -38.4 | 0 | 0 | 0 | 117 | ||||
| 52 | P | 49.7 | Very low | 37.1 | Very low | 125 Ų | 125 | 146.9 Ų | 146.9 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | trans | -112.3 | 169.7 | 149.3 | 40.3 | -31.1 | 0 | 0 | 0 | 110.8 | ||||
| 53 | C | 29.7 | Very low | 37.1 | Very low | 126 Ų | 126 | 148 Ų | 148 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | cis | -153 | -160.5 | -4.2 | -157.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 54 | K | 34.3 | Very low | 36.8 | Very low | 196 Ų | 196 | 149 Ų | 149 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | trans | -145.1 | 148.8 | 167.9 | -71.5 | -172.6 | 179.4 | -177.5 | 0 | 112.8 | ||||
| 55 | M | 40.3 | Very low | 37 | Very low | 183 Ų | 183 | 146.3 Ų | 146.3 | 90% | 0.901 | 78% | 0.776 | S | S | * | * | trans | -155 | 152.8 | 160.6 | -76.5 | -142.7 | -60.5 | 0 | 0 | 108.1 | ||||
| 56 | L | 32.4 | Very low | 37 | Very low | 162 Ų | 162 | 146 Ų | 146 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | cis | -144.4 | 164.5 | -2.9 | -179.3 | 57.1 | 0 | 0 | 0 | 108.9 | ||||
| 57 | R | 37.7 | Very low | 36.6 | Very low | 209 Ų | 209 | 147.6 Ų | 147.6 | 79% | 0.789 | 78% | 0.778 | S | S | * | * | trans | -97 | 148.9 | -179.9 | -76.1 | -143.8 | -98.3 | 180 | -7.7 | 114.6 | ||||
| 58 | R | 31.9 | Very low | 36.7 | Very low | 239 Ų | 239 | 149.1 Ų | 149.1 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | 175.9 | 117.2 | 124.1 | -88.4 | 151.5 | -165.7 | -81.1 | 3.9 | 107.5 | |||||
| 59 | S | 37 | Very low | 37 | Very low | 91 Ų | 91 | 144.6 Ų | 144.6 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | 78.4 | 110.9 | 57.6 | -65.5 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 60 | D | 28.9 | Very low | 36.8 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | -162.9 | 167 | 109.3 | -142.9 | -97.6 | 0 | 0 | 0 | 113.5 | |||||
| 61 | S | 32.8 | Very low | 36.8 | Very low | 85 Ų | 85 | 141.4 Ų | 141.4 | 59% | 0.594 | 77% | 0.773 | S | S | * | * | trans | -176.8 | 131 | -178.3 | 169 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 62 | P | 52.8 | Low | 35.7 | Very low | 109 Ų | 109 | 145 Ų | 145 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | -141.6 | 144 | 129.1 | 20.9 | 0.1 | 0 | 0 | 0 | 112.8 | |||||
| 63 | E | 35.4 | Very low | 34.8 | Very low | 169 Ų | 169 | 144 Ų | 144 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | cis | 94.3 | 122.8 | 43.5 | -76.6 | 169.2 | 74.1 | 0 | 0 | 115.6 | ||||
| 64 | N | 29.2 | Very low | 35 | Very low | 144 Ų | 144 | 149.7 Ų | 149.7 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -174.2 | 125.8 | 132.8 | -132.1 | 3.7 | 0 | 0 | 0 | 115 | ||||
| 65 | K | 36.8 | Very low | 34.9 | Very low | 179 Ų | 179 | 144.2 Ų | 144.2 | 78% | 0.778 | 77% | 0.771 | S | S | * | * | trans | 50.4 | 159 | 142.1 | -56 | -89.9 | 180 | -179.1 | 0 | 121.6 | ||||
| 66 | H | 31.9 | Very low | 34.9 | Very low | 131 Ų | 131 | 145.4 Ų | 145.4 | 61% | 0.606 | 77% | 0.771 | S | S | * | * | cis | 176.7 | 130.3 | -26.1 | 171.5 | -78.6 | 0 | 0 | 0 | 109.5 | D68 | H66-D68 IonicContact CE1-OD2 2.69Å; H66-D68 PolarHBondContact CE1-OD2 3.36Å; H66-D68 VanDerWaalsContact CE1-OD2 3.31Å; H66-D68 IonicContact NE2-OD2 3.31Å | ||
| 67 | T | 35.7 | Very low | 34.8 | Very low | 137 Ų | 137 | 141.5 Ų | 141.5 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | trans | -175.1 | 154.2 | 146 | 19.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 68 | D | 35.2 | Very low | 34.5 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | trans | -92.9 | 168 | -169.6 | -54.7 | -93 | 0 | 0 | 0 | 115.8 | H66 | H66-D68 IonicContact CE1-OD2 2.69Å; H66-D68 PolarHBondContact CE1-OD2 3.36Å; H66-D68 VanDerWaalsContact CE1-OD2 3.31Å; H66-D68 IonicContact NE2-OD2 3.31Å | ||
| 69 | G | 32 | Very low | 34.5 | Very low | 75 Ų | 75 | 134.2 Ų | 134.2 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | trans | -178.8 | 93.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 70 | T | 34.5 | Very low | 34.3 | Very low | 140 Ų | 140 | 136.3 Ų | 136.3 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | trans | -28.9 | 145.1 | 160.4 | -48.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 71 | G | 33.3 | Very low | 34.3 | Very low | 58 Ų | 58 | 136.1 Ų | 136.1 | 60% | 0.598 | 76% | 0.759 | S | S | * | * | cis | 135.6 | 154.9 | 3.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 72 | H | 38.3 | Very low | 34.3 | Very low | 187 Ų | 187 | 142.1 Ų | 142.1 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | trans | 70.9 | 156.1 | 171.7 | -59.7 | 43.5 | 0 | 0 | 0 | 116.6 | ||||
| 73 | S | 30.5 | Very low | 33.5 | Very low | 104 Ų | 104 | 144.1 Ų | 144.1 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | cis | -165.9 | 174.9 | -25.6 | 62.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 74 | R | 34.7 | Very low | 33.8 | Very low | 246 Ų | 246 | 146 Ų | 146 | 93% | 0.928 | 78% | 0.779 | S | S | * | * | trans | 1.3 | 160.6 | 156.7 | -82.3 | -176.3 | 173 | -172.2 | -1.2 | 121.6 | ||||
| 75 | A | 32.6 | Very low | 33.9 | Very low | 81 Ų | 81 | 144.8 Ų | 144.8 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | cis | -166 | 153.3 | -0.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 76 | K | 39.1 | Very low | 33.8 | Very low | 208 Ų | 208 | 145.3 Ų | 145.3 | 90% | 0.904 | 77% | 0.765 | S | S | * | * | 30.2 | 146.3 | 102 | -66.3 | -167.1 | 179 | -172.3 | 0 | 118.1 | |||||
| 77 | A | 29.7 | Very low | 33.8 | Very low | 79 Ų | 79 | 146.2 Ų | 146.2 | 65% | 0.653 | 77% | 0.774 | S | S | * | * | cis | 179.7 | -171.6 | -14.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 78 | V | 32.8 | Very low | 33.5 | Very low | 142 Ų | 142 | 143.7 Ų | 143.7 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | trans | 75.5 | 156.1 | 161.1 | -172.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 79 | H | 30.6 | Very low | 33.3 | Very low | 153 Ų | 153 | 140.3 Ų | 140.3 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | cis | 175.3 | 128.9 | -49 | 162.4 | 87.5 | 0 | 0 | 0 | 108.9 | ||||
| 80 | T | 33.4 | Very low | 33.2 | Very low | 136 Ų | 136 | 142.1 Ų | 142.1 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | -177.3 | 173.2 | 159.2 | 37.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 81 | H | 29.8 | Very low | 33.3 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 69% | 0.69 | 77% | 0.77 | S | S | * | * | -153 | 163.7 | -54.7 | 173.9 | -97.3 | 0 | 0 | 0 | 107.1 | |||||
| 82 | R | 32.7 | Very low | 33.2 | Very low | 211 Ų | 211 | 148.1 Ų | 148.1 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | trans | -60 | 147.3 | -167.5 | -63.1 | 170.8 | 171.2 | 144.4 | -5.6 | 116.5 | ||||
| 83 | V | 36.2 | Very low | 32.8 | Very low | 151 Ų | 151 | 144 Ų | 144 | 92% | 0.915 | 77% | 0.773 | S | S | * | * | trans | -121 | 160.5 | 138.8 | 175.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 84 | R | 40.9 | Very low | 33.2 | Very low | 210 Ų | 210 | 145.6 Ų | 145.6 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | trans | -130.5 | 167 | -174.8 | 175.5 | 177.5 | 169 | 150.8 | 6.3 | 110.1 | ||||
| 85 | E | 31.1 | Very low | 32.9 | Very low | 118 Ų | 118 | 143 Ų | 143 | 55% | 0.551 | 78% | 0.779 | S | S | * | * | trans | 82.3 | 137.3 | -177.4 | -52.6 | -63.4 | 109.1 | 0 | 0 | 112.5 | ||||
| 86 | R | 36.1 | Very low | 32.9 | Very low | 190 Ų | 190 | 148.3 Ų | 148.3 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | cis | -163.6 | 143.9 | -7.2 | 162 | 176.7 | -65.7 | -128.3 | 2 | 110.7 | ||||
| 87 | D | 30.1 | Very low | 32.3 | Very low | 149 Ų | 149 | 144.8 Ų | 144.8 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | 55.1 | 151.2 | 167.5 | -54.9 | -27.1 | 0 | 0 | 0 | 119.3 | ||||
| 88 | G | 30.4 | Very low | 32.6 | Very low | 84 Ų | 84 | 146 Ų | 146 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | trans | 165.2 | -42.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 89 | G | 31.3 | Very low | 32.6 | Very low | 76 Ų | 76 | 146.6 Ų | 146.6 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | trans | 89.1 | 141 | 174.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 90 | P | 30.4 | Very low | 32.7 | Very low | 113 Ų | 113 | 145.2 Ų | 145.2 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -107 | 147 | 174.7 | 37.5 | -30.5 | 0 | 0 | 0 | 114.5 | ||||
| 91 | S | 34.6 | Very low | 32.8 | Very low | 110 Ų | 110 | 147 Ų | 147 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -56.3 | 141.4 | 164 | 146.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 92 | Y | 32.4 | Very low | 32.7 | Very low | 214 Ų | 214 | 146 Ų | 146 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | -140.5 | 144.8 | 158.6 | -98.4 | -78.8 | 0 | 0 | 0 | 113.7 | ||||
| 93 | S | 28.7 | Very low | 32.9 | Very low | 101 Ų | 101 | 140.8 Ų | 140.8 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | -70.9 | 163.1 | 175.5 | -58.3 | 0 | 0 | 0 | 0 | 112.5 | Q95 | S93-Q95 PolarHBondContact O-N 2.81Š| ||
| 94 | P | 39.3 | Very low | 32.8 | Very low | 136 Ų | 136 | 142.1 Ų | 142.1 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | trans | -69 | 132.1 | 179.5 | -13.6 | 28.8 | 0 | 0 | 0 | 111.6 | ||||
| 95 | Q | 29 | Very low | 32.3 | Very low | 191 Ų | 191 | 140 Ų | 140 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | trans | -119.7 | 140.4 | 162.5 | -174.3 | 163 | -52.4 | 0 | 0 | 108.9 | S93 | S93-Q95 PolarHBondContact O-N 2.81Š| ||
| 96 | E | 31.8 | Very low | 32.1 | Very low | 193 Ų | 193 | 140.6 Ų | 140.6 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -66 | 136.7 | -176.9 | -63.7 | 174 | 80.6 | 0 | 0 | 112.2 | ||||
| 97 | N | 27 | Very low | 32 | Very low | 134 Ų | 134 | 137.1 Ų | 137.1 | 72% | 0.717 | 80% | 0.802 | S | S | * | * | trans | -151.2 | 126.6 | 158.7 | -172.4 | 3.8 | 0 | 0 | 0 | 109.7 | H99 | N97-H99 PolarHBondContact OD1-ND1 3.03Š| ||
| 98 | S | 37.3 | Very low | 31.8 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | -123.5 | 103.8 | -173.5 | 43.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 99 | H | 32.2 | Very low | 31.8 | Very low | 154 Ų | 154 | 137.3 Ų | 137.3 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | trans | -137 | 91.6 | 179.5 | -84.9 | 89.2 | 0 | 0 | 0 | 113.5 | N97 | N97-H99 PolarHBondContact OD1-ND1 3.03Š| ||
| 100 | N | 32.5 | Very low | 32 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 66% | 0.663 | 79% | 0.79 | S | S | * | * | trans | 51.9 | 113.2 | 134.7 | -65.8 | -5.3 | 0 | 0 | 0 | 122.3 | ||||
| 101 | H | 35.4 | Very low | 31.9 | Very low | 174 Ų | 174 | 142.4 Ų | 142.4 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | 57.9 | 117.1 | 131.9 | -52 | -54.7 | 0 | 0 | 0 | 121.1 | ||||
| 102 | S | 27.5 | Very low | 32.1 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | -144.3 | 150.3 | 114.7 | 59.8 | 0 | 0 | 0 | 0 | 110 | |||||
| 103 | S | 36.4 | Very low | 32.7 | Very low | 103 Ų | 103 | 139.7 Ų | 139.7 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | -137.5 | 118.9 | 179.8 | 57.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 104 | L | 34.9 | Very low | 33 | Very low | 179 Ų | 179 | 140 Ų | 140 | 94% | 0.937 | 80% | 0.796 | S | S | * | * | trans | -132.5 | 149.5 | 162.3 | -75.3 | 178.3 | 0 | 0 | 0 | 109.5 | ||||
| 105 | H | 31.2 | Very low | 32.9 | Very low | 166 Ų | 166 | 142.1 Ų | 142.1 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -86.4 | 149.7 | -164.5 | -70.3 | -125.8 | 0 | 0 | 0 | 112.7 | ||||
| 106 | S | 26.2 | Very low | 33.4 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -154.7 | 71.7 | 150.1 | -80.9 | 0 | 0 | 0 | 0 | 110.2 | N108 | S106-N108 PolarHBondContact O-N 3.03Š| ||
| 107 | S | 32.7 | Very low | 33.5 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | -79.8 | 105.9 | 163.2 | -57.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 108 | N | 26.2 | Very low | 34.4 | Very low | 162 Ų | 162 | 137 Ų | 137 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | trans | -110 | 130.4 | 160.8 | -168 | 29.3 | 0 | 0 | 0 | 108.7 | S106 | S106-N108 PolarHBondContact O-N 3.03Š| ||
| 109 | S | 31.8 | Very low | 34.6 | Very low | 74 Ų | 74 | 136.4 Ų | 136.4 | 52% | 0.517 | 78% | 0.781 | S | S | . | * | trans | -129.2 | 154.5 | -174.1 | -175.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 110 | H | 34.9 | Very low | 35.3 | Very low | 173 Ų | 173 | 135 Ų | 135 | 80% | 0.801 | 79% | 0.785 | S | S | * | * | trans | 70.1 | 108.7 | 176 | -42.3 | -71.9 | 0 | 0 | 0 | 116.2 | ||||
| 111 | S | 28.2 | Very low | 36 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -143.6 | 107.9 | 138.8 | -88.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 112 | N | 39.4 | Very low | 36.8 | Very low | 154 Ų | 154 | 135.2 Ų | 135.2 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -107.8 | 115.2 | 174.7 | -157.4 | 38.4 | 0 | 0 | 0 | 107.1 | ||||
| 113 | P | 43.9 | Very low | 38.1 | Very low | 112 Ų | 112 | 132 Ų | 132 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | -119.5 | 92.5 | 172.8 | 35.3 | -23 | 0 | 0 | 0 | 112 | K115 | P113-K115 VanDerWaalsContact C-N 3.31Å; P113-K115 PolarHBondContact O-N 3.29Å; P113-K115 VanDerWaalsContact O-N 3.08Å | ||
| 114 | S | 35.8 | Very low | 38.9 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 76% | 0.755 | 72% | 0.722 | S | S | * | * | trans | -81.8 | 69.8 | 169.3 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 115 | K | 37.8 | Very low | 40 | Very low | 181 Ų | 181 | 125.2 Ų | 125.2 | 79% | 0.787 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -174.9 | 130.3 | 155.8 | -112.4 | 169.3 | -176.5 | -177.8 | 0 | 115.5 | P113 | P113-K115 VanDerWaalsContact C-N 3.31Å; P113-K115 PolarHBondContact O-N 3.29Å; P113-K115 VanDerWaalsContact O-N 3.08Å |
| 116 | T | 39.1 | Very low | 42.1 | Very low | 133 Ų | 133 | 118 Ų | 118 | 82% | 0.816 | 68% | 0.678 | S | S | * | * | trans | 34.9 | 98.4 | 142.7 | 57.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 117 | S | 33.8 | Very low | 44.8 | Very low | 99 Ų | 99 | 113.4 Ų | 113.4 | 69% | 0.692 | 64% | 0.641 | S | S | * | * | trans | -148.1 | 116.1 | 146.6 | 54.7 | 0 | 0 | 0 | 0 | 109.3 | T119 | S117-T119 PolarHBondContact O-N 3.08Å; S117-T119 VanDerWaalsContact O-N 3.11Å; S117-T119 PolarHBondContact O-OG1 2.99Å; S117-T119 VanDerWaalsContact O-OG1 3.08Å | ||
| 118 | D | 45.6 | Very low | 47.1 | Very low | 177 Ų | 177 | 109.1 Ų | 109.1 | 95% | 0.947 | 61% | 0.611 | S | S | * | * | trans | -70.2 | 106.8 | -175.3 | -159.3 | -8.8 | 0 | 0 | 0 | 110.2 | ||||
| 119 | T | 41.6 | Very low | 50.1 | Low | 94 Ų | 94 | 105.8 Ų | 105.8 | 58% | 0.577 | 59% | 0.59 | S | S | * | * | trans | -144.6 | 126.2 | -171.9 | -39.4 | 0 | 0 | 0 | 0 | 108.4 | S117 Y121 | S117-T119 PolarHBondContact O-N 3.08Å; S117-T119 VanDerWaalsContact O-N 3.11Å; S117-T119 PolarHBondContact O-OG1 2.99Å; S117-T119 VanDerWaalsContact O-OG1 3.08Å; T119-Y121 PolarHBondContact O-N 3.29Å | ||
| 120 | P | 47.4 | Very low | 52.7 | Low | 123 Ų | 123 | 105.6 Ų | 105.6 | 80% | 0.799 | 58% | 0.581 | S | S | * | * | trans | -59.1 | 112.6 | -179 | -27 | 36 | 0 | 0 | 0 | 112.4 | E122 | P120-E122 PolarHBondContact O-N 3.25Å; P120-E122 VanDerWaalsContact O-N 3.14Å | ||
| 121 | Y | 46.2 | Very low | 55.3 | Low | 173 Ų | 173 | 103.1 Ų | 103.1 | 68% | 0.678 | 57% | 0.572 | S | S | * | * | trans | -76 | 101 | -177.3 | -163.1 | -87.7 | 0 | 0 | 0 | 110.3 | T119 | T119-Y121 PolarHBondContact O-N 3.29Š| ||
| 122 | E | 52.3 | Low | 57.9 | Low | 131 Ų | 131 | 98.1 Ų | 98.1 | 61% | 0.612 | 54% | 0.537 | S | S | * | . | trans | -63.7 | 125.8 | -173.9 | -115.9 | -64.3 | 121.9 | 0 | 0 | 111.7 | P120 G124 R158 | P120-E122 PolarHBondContact O-N 3.25Å; P120-E122 VanDerWaalsContact O-N 3.14Å; E122-G124 PolarHBondContact O-N 3.23Å; E122-R158 IonicContact OE2-NH2 2.57Å | ||
| 123 | P | 54.4 | Low | 59.6 | Low | 60 Ų | 60 | 97.4 Ų | 97.4 | 39% | 0.39 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 16.8 | -172.7 | -32 | 39.4 | 0 | 0 | 0 | 120.8 | ||
| 124 | G | 53.3 | Low | 61 | Low | 7 Ų | 7 | 96 Ų | 96 | 7% | 0.072 | 54% | 0.537 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.3 | -7.2 | -161 | 0 | 0 | 0 | 0 | 0 | 117.7 | E122 R158 | E122-G124 PolarHBondContact O-N 3.23Å; G124-R158 VanDerWaalsContact CA-NH1 3.31Å; G124-R158 PolarHBondContact O-NH1 3.18Å |
| 125 | D | 58.1 | Low | 63.3 | Low | 131 Ų | 131 | 93.7 Ų | 93.7 | 70% | 0.701 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -79.2 | -8.3 | 161.8 | -82.5 | 9.3 | 0 | 0 | 0 | 111.4 | W127 | D125-W127 PolarHBondContact O-N 2.87Å; D125-W127 VanDerWaalsContact O-N 3.15Å |
| 126 | D | 76.5 | Confident | 65.6 | Low | 16 Ų | 16 | 91.4 Ų | 91.4 | 9% | 0.086 | 52% | 0.521 | C | S | . | . | S | Bend | trans | -73.3 | 2.6 | -178 | -64.2 | -54.8 | 0 | 0 | 0 | 114.7 | N141 C142 R143 | D126-N141 CarbonylContact O-C 3.38Å; D126-N141 WeakPolarHBondContact O-CA 3.34Å; D126-C142 PolarHBondContact O-N 2.88Å; D126-R143 HydrophobicContact CB-CB 3.81Å; D126-R143 WeakPolarHBondContact OD2-CD 3.4Å; D126-R143 IonicContact OD2-CZ 3.9Å; D126-R143 IonicContact OD2-NE 3.1Å; D126-R143 PolarHBondContact OD2-NE 3.43Å; D126-R143 IonicContact OD2-NH1 2.68Å; D126-R143 PolarHBondContact OD2-NH1 2.92Å |
| 127 | W | 82.8 | Confident | 68 | Low | 32 Ų | 32 | 89.4 Ų | 89.4 | 12% | 0.121 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 137.2 | -179.6 | -68.4 | 93.3 | 0 | 0 | 0 | 112.7 | D125 Y140 N141 V146 Q148 P152 W155 | D125-W127 PolarHBondContact O-N 2.87Å; D125-W127 VanDerWaalsContact O-N 3.15Å; W127-Y140 CarbonylContact C-O 3.53Å; W127-Y140 WeakPolarHBondContact CA-O 3.25Å; W127-Y140 VanDerWaalsContact CE3-C 3.48Å; W127-N141 HydrophobicContact CD2-CB 3.73Å; W127-N141 HydrophobicContact CE3-CB 3.64Å; W127-N141 HydrophobicContact CG-CB 4.45Å; W127-N141 HydrophobicContact CH2-CB 3.8Å; W127-N141 HydrophobicContact CZ2-CB 3.93Å; W127-N141 HydrophobicContact CZ3-CB 3.67Å; W127-N141 PolarHBondContact NE1-ND2 3.42Å; W127-N141 VanDerWaalsContact NE1-ND2 3.14Å; W127-V146 HydrophobicContact CH2-CG1 4.34Å; W127-Q148 HydrophobicContact CH2-CG 4.1Å; W127-Q148 VanDerWaalsContact CH2-NE2 3.3Å; W127-Q148 HydrophobicContact CZ3-CG 4.29Å; W127-P152 HydrophobicContact CD2-CB 4.11Å; W127-P152 HydrophobicContact CD2-CG 3.58Å; W127-P152 HydrophobicContact CE3-CB 4.44Å; W127-P152 HydrophobicContact CE3-CG 3.48Å; W127-P152 VanDerWaalsContact CE3-CG 3.48Å; W127-P152 HydrophobicContact CG-CG 4.34Å; W127-P152 HydrophobicContact CH2-CB 4.3Å; W127-P152 HydrophobicContact CH2-CG 3.79Å; W127-P152 HydrophobicContact CZ2-CB 3.88Å; W127-P152 HydrophobicContact CZ2-CG 3.82Å; W127-P152 HydrophobicContact CZ3-CG 3.6Å; W127-W155 HydrophobicContact CB-CE3 3.51Å; W127-W155 HydrophobicContact CB-CZ3 3.48Å; W127-W155 VanDerWaalsContact CB-CZ3 3.48Å; W127-W155 HydrophobicContact CG-CE3 4.35Å; W127-W155 WeakPolarHBondContact O-CH2 3.49Å; W127-W155 VanDerWaalsContact O-CZ3 3.26Å; W127-W155 WeakPolarHBondContact O-CZ3 3.49Å |
| 128 | S | 81 | Confident | 70.6 | Confident | 27 Ų | 27 | 87.3 Ų | 87.3 | 19% | 0.189 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 159.9 | 170.2 | 71.4 | 0 | 0 | 0 | 0 | 112.4 | H130 Y139 Y140 | S128-H130 PolarHBondContact OG-CD2 3.41Å; S128-H130 PolarHBondContact OG-CE1 3.38Å; S128-H130 PolarHBondContact OG-NE2 3.08Å; S128-Y139 CarbonylContact O-C 3.53Å; S128-Y139 WeakPolarHBondContact O-CA 3.46Å; S128-Y140 PolarHBondContact N-O 3.12Å; S128-Y140 PolarHBondContact O-N 2.95Å |
| 129 | E | 88.5 | Confident | 72.7 | Confident | 92 Ų | 92 | 80 Ų | 80 | 43% | 0.43 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 119.7 | 176.2 | 177.8 | -178.9 | 139.2 | 0 | 0 | 110.3 | K137 Y139 W155 | E129-K137 HydrophobicContact CG-CD 4.19Å; E129-K137 HydrophobicContact CG-CG 4.08Å; E129-K137 WeakPolarHBondContact OE1-CD 3.4Å; E129-K137 WeakPolarHBondContact OE1-CE 3.45Å; E129-K137 IonicContact OE1-NZ 2.71Å; E129-K137 PolarHBondContact OE1-NZ 3.11Å; E129-K137 WeakPolarHBondContact OE2-CE 3.29Å; E129-K137 IonicContact OE2-NZ 2.7Å; E129-K137 PolarHBondContact OE2-NZ 3Å; E129-Y139 HydrophobicContact CG-CE1 4.42Å; E129-W155 HydrophobicContact CB-CH2 4.44Å |
| 130 | H | 86.5 | Confident | 74.8 | Confident | 71 Ų | 71 | 78.3 Ų | 78.3 | 33% | 0.329 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 164 | -178.4 | -65.5 | 176.2 | 0 | 0 | 0 | 111.2 | S128 K137 Y138 | S128-H130 PolarHBondContact OG-CD2 3.41Å; S128-H130 PolarHBondContact OG-CE1 3.38Å; S128-H130 PolarHBondContact OG-NE2 3.08Å; H130-K137 CarbonylContact O-C 3.56Å; H130-K137 WeakPolarHBondContact O-CA 3.29Å; H130-Y138 HydrophobicContact CB-CD1 4Å; H130-Y138 HydrophobicContact CB-CD2 4.26Å; H130-Y138 HydrophobicContact CB-CE1 3.43Å; H130-Y138 VanDerWaalsContact CB-CE1 3.43Å; H130-Y138 HydrophobicContact CB-CE2 3.74Å; H130-Y138 HydrophobicContact CB-CG 4.38Å; H130-Y138 WeakPolarHBondContact CB-OH 3.04Å; H130-Y138 AromaticContact CG-CZ 3.92Å; H130-Y138 PolarHBondContact N-O 3.03Å; H130-Y138 AromaticContact ND1-CE2 3.81Å; H130-Y138 AromaticContact ND1-CZ 3.67Å; H130-Y138 PolarHBondContact ND1-OH 3.23Å; H130-Y138 PolarHBondContact O-N 2.99Å; H130-Y138 VanDerWaalsContact O-O 3.09Å |
| 131 | I | 88.4 | Confident | 76.7 | Confident | 120 Ų | 120 | 72.8 Ų | 72.8 | 62% | 0.615 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 135.6 | 175.8 | -55.9 | 177.4 | 0 | 0 | 0 | 109 | ||
| 132 | S | 83.3 | Confident | 78.3 | Confident | 20 Ų | 20 | 68.2 Ų | 68.2 | 14% | 0.14 | 38% | 0.377 | C | S | . | . | trans | -76.3 | 165.5 | 177.8 | 78.7 | 0 | 0 | 0 | 0 | 112.7 | S134 G135 K136 | S132-S134 PolarHBondContact O-N 3.47Å; S132-S134 PolarHBondContact OG-N 3.41Å; S132-S134 VanDerWaalsContact OG-N 3.1Å; S132-S134 PolarHBondContact OG-OG 3.36Å; S132-G135 PolarHBondContact O-N 3.49Å; S132-G135 PolarHBondContact OG-N 3.04Å; S132-K136 WeakPolarHBondContact CB-O 3.26Å; S132-K136 PolarHBondContact N-O 3.11Å; S132-K136 PolarHBondContact OG-N 3.14Å; S132-K136 PolarHBondContact OG-O 3.24Å | ||
| 133 | S | 74.4 | Confident | 79.5 | Confident | 138 Ų | 138 | 68.2 Ų | 68.2 | 97% | 0.965 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -11.1 | 168.5 | 53 | 0 | 0 | 0 | 0 | 114.7 | ||
| 134 | S | 74.1 | Confident | 80.6 | Confident | 82 Ų | 82 | 68.6 Ų | 68.6 | 57% | 0.573 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | 17.3 | 172 | 46.3 | 0 | 0 | 0 | 0 | 113.1 | S132 K136 | S132-S134 PolarHBondContact O-N 3.47Å; S132-S134 PolarHBondContact OG-N 3.41Å; S132-S134 VanDerWaalsContact OG-N 3.1Å; S132-S134 PolarHBondContact OG-OG 3.36Å; S134-K136 PolarHBondContact O-N 3.16Å |
| 135 | G | 85.1 | Confident | 82 | Confident | 61 Ų | 61 | 72.4 Ų | 72.4 | 63% | 0.629 | 39% | 0.388 | S | S | * | . | S | Bend | trans | 71.9 | 9.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S132 | S132-G135 PolarHBondContact O-N 3.49Å; S132-G135 PolarHBondContact OG-N 3.04Å |
| 136 | K | 85.2 | Confident | 82.8 | Confident | 132 Ų | 132 | 66.4 Ų | 66.4 | 57% | 0.574 | 36% | 0.356 | S | S | * | . | trans | -93.7 | 122.6 | -176.5 | -64.9 | -172.4 | 178.4 | -173.7 | 0 | 111 | S132 S134 W149 | S132-K136 WeakPolarHBondContact CB-O 3.26Å; S132-K136 PolarHBondContact N-O 3.11Å; S132-K136 PolarHBondContact OG-N 3.14Å; S132-K136 PolarHBondContact OG-O 3.24Å; S134-K136 PolarHBondContact O-N 3.16Å; K136-W149 HydrophobicContact CB-CE3 4.33Å; K136-W149 HydrophobicContact CB-CZ3 3.8Å | ||
| 137 | K | 90.3 | Very high | 83.3 | Confident | 91 Ų | 91 | 67.8 Ų | 67.8 | 40% | 0.396 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 134.2 | 171.9 | 177.3 | 162.4 | 163.4 | 151.7 | 0 | 110.8 | E129 H130 Y139 | E129-K137 HydrophobicContact CG-CD 4.19Å; E129-K137 HydrophobicContact CG-CG 4.08Å; E129-K137 WeakPolarHBondContact OE1-CD 3.4Å; E129-K137 WeakPolarHBondContact OE1-CE 3.45Å; E129-K137 IonicContact OE1-NZ 2.71Å; E129-K137 PolarHBondContact OE1-NZ 3.11Å; E129-K137 WeakPolarHBondContact OE2-CE 3.29Å; E129-K137 IonicContact OE2-NZ 2.7Å; E129-K137 PolarHBondContact OE2-NZ 3Å; H130-K137 CarbonylContact O-C 3.56Å; H130-K137 WeakPolarHBondContact O-CA 3.29Å; K137-Y139 WeakPolarHBondContact CE-OH 3.36Å |
| 138 | Y | 88.3 | Confident | 83.4 | Confident | 56 Ų | 56 | 68.5 Ų | 68.5 | 22% | 0.22 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 160 | 173.9 | 73.4 | -87.2 | 0 | 0 | 0 | 110 | H130 W149 | H130-Y138 HydrophobicContact CB-CD1 4Å; H130-Y138 HydrophobicContact CB-CD2 4.26Å; H130-Y138 HydrophobicContact CB-CE1 3.43Å; H130-Y138 VanDerWaalsContact CB-CE1 3.43Å; H130-Y138 HydrophobicContact CB-CE2 3.74Å; H130-Y138 HydrophobicContact CB-CG 4.38Å; H130-Y138 WeakPolarHBondContact CB-OH 3.04Å; H130-Y138 AromaticContact CG-CZ 3.92Å; H130-Y138 PolarHBondContact N-O 3.03Å; H130-Y138 AromaticContact ND1-CE2 3.81Å; H130-Y138 AromaticContact ND1-CZ 3.67Å; H130-Y138 PolarHBondContact ND1-OH 3.23Å; H130-Y138 PolarHBondContact O-N 2.99Å; H130-Y138 VanDerWaalsContact O-O 3.09Å; Y138-W149 HydrophobicContact CD1-CZ3 4.32Å; Y138-W149 HydrophobicContact CG-CZ3 4.44Å |
| 139 | Y | 89 | Confident | 83.6 | Confident | 22 Ų | 22 | 74.8 Ų | 74.8 | 9% | 0.086 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 132.3 | -176.1 | -50.9 | -91.4 | 0 | 0 | 0 | 108.7 | S128 E129 K137 S147 Q148 E150 K151 P152 W155 | S128-Y139 CarbonylContact O-C 3.53Å; S128-Y139 WeakPolarHBondContact O-CA 3.46Å; E129-Y139 HydrophobicContact CG-CE1 4.42Å; K137-Y139 WeakPolarHBondContact CE-OH 3.36Å; Y139-S147 CarbonylContact O-C 3.6Å; Y139-S147 WeakPolarHBondContact O-CA 3.33Å; Y139-Q148 PolarHBondContact N-O 3.14Å; Y139-Q148 PolarHBondContact O-N 3.49Å; Y139-E150 WeakPolarHBondContact CD2-O 3.3Å; Y139-K151 HydrophobicContact CD1-CG 4.46Å; Y139-K151 HydrophobicContact CD2-CB 4.39Å; Y139-K151 HydrophobicContact CE1-CB 4.28Å; Y139-K151 HydrophobicContact CE1-CD 4.19Å; Y139-K151 HydrophobicContact CE1-CG 3.89Å; Y139-K151 VanDerWaalsContact CE2-CA 3.4Å; Y139-K151 HydrophobicContact CE2-CB 3.74Å; Y139-K151 HydrophobicContact CE2-CG 4.27Å; Y139-P152 HydrophobicContact CG-CG 4.4Å; Y139-W155 HydrophobicContact CD1-CE3 4.22Å; Y139-W155 HydrophobicContact CD1-CZ3 4.33Å |
| 140 | Y | 86.4 | Confident | 83.3 | Confident | 60 Ų | 60 | 77.3 Ų | 77.3 | 24% | 0.235 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 129.4 | -176.4 | 172.6 | -103.7 | 0 | 0 | 0 | 110 | W127 S128 C142 E145 V146 | W127-Y140 CarbonylContact C-O 3.53Å; W127-Y140 WeakPolarHBondContact CA-O 3.25Å; W127-Y140 VanDerWaalsContact CE3-C 3.48Å; S128-Y140 PolarHBondContact N-O 3.12Å; S128-Y140 PolarHBondContact O-N 2.95Å; Y140-C142 HydrophobicContact CE1-CB 4.41Å; Y140-E145 HydrophobicContact CE2-CB 4.49Å; Y140-V146 CarbonylContact C-O 3.51Å; Y140-V146 WeakPolarHBondContact CA-O 3.3Å |
| 141 | N | 85.8 | Confident | 83.2 | Confident | 6 Ų | 6 | 76.9 Ų | 76.9 | 3% | 0.032 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 111.8 | 174.2 | -169.1 | -72.7 | 0 | 0 | 0 | 109.6 | D126 W127 R143 T144 E145 V146 | D126-N141 CarbonylContact O-C 3.38Å; D126-N141 WeakPolarHBondContact O-CA 3.34Å; W127-N141 HydrophobicContact CD2-CB 3.73Å; W127-N141 HydrophobicContact CE3-CB 3.64Å; W127-N141 HydrophobicContact CG-CB 4.45Å; W127-N141 HydrophobicContact CH2-CB 3.8Å; W127-N141 HydrophobicContact CZ2-CB 3.93Å; W127-N141 HydrophobicContact CZ3-CB 3.67Å; W127-N141 PolarHBondContact NE1-ND2 3.42Å; W127-N141 VanDerWaalsContact NE1-ND2 3.14Å; N141-R143 PolarHBondContact O-N 3.03Å; N141-R143 WeakPolarHBondContact OD1-CA 3.35Å; N141-R143 WeakPolarHBondContact OD1-CB 3.33Å; N141-R143 PolarHBondContact OD1-N 2.82Å; N141-T144 VanDerWaalsContact CB-OG1 3.31Å; N141-T144 WeakPolarHBondContact CB-OG1 3.42Å; N141-T144 VanDerWaalsContact CG-OG1 3.32Å; N141-T144 PolarHBondContact O-N 3.17Å; N141-T144 PolarHBondContact OD1-N 3.34Å; N141-T144 PolarHBondContact OD1-OG1 3.35Å; N141-E145 VanDerWaalsContact O-CA 3.31Å; N141-E145 WeakPolarHBondContact O-CA 3.25Å; N141-E145 PolarHBondContact O-N 2.83Å; N141-V146 PolarHBondContact N-O 2.68Å |
| 142 | C | 80.7 | Confident | 82.8 | Confident | 77 Ų | 77 | 71.3 Ų | 71.3 | 52% | 0.52 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -24.7 | 179.1 | -63.3 | 0 | 0 | 0 | 0 | 113.4 | D126 Y140 | D126-C142 PolarHBondContact O-N 2.88Å; Y140-C142 HydrophobicContact CE1-CB 4.41Å |
| 143 | R | 76.9 | Confident | 82.2 | Confident | 132 Ų | 132 | 78.7 Ų | 78.7 | 50% | 0.498 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -29.8 | -178.3 | -168.9 | -179.4 | 74.1 | -175.8 | 12.9 | 113.9 | D126 N141 | D126-R143 HydrophobicContact CB-CB 3.81Å; D126-R143 WeakPolarHBondContact OD2-CD 3.4Å; D126-R143 IonicContact OD2-CZ 3.9Å; D126-R143 IonicContact OD2-NE 3.1Å; D126-R143 PolarHBondContact OD2-NE 3.43Å; D126-R143 IonicContact OD2-NH1 2.68Å; D126-R143 PolarHBondContact OD2-NH1 2.92Å; N141-R143 PolarHBondContact O-N 3.03Å; N141-R143 WeakPolarHBondContact OD1-CA 3.35Å; N141-R143 WeakPolarHBondContact OD1-CB 3.33Å; N141-R143 PolarHBondContact OD1-N 2.82Å |
| 144 | T | 78.6 | Confident | 82 | Confident | 67 Ų | 67 | 76.9 Ų | 76.9 | 41% | 0.411 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -0.9 | -178.7 | 67.3 | 0 | 0 | 0 | 0 | 113.9 | N141 V146 | N141-T144 VanDerWaalsContact CB-OG1 3.31Å; N141-T144 WeakPolarHBondContact CB-OG1 3.42Å; N141-T144 VanDerWaalsContact CG-OG1 3.32Å; N141-T144 PolarHBondContact O-N 3.17Å; N141-T144 PolarHBondContact OD1-N 3.34Å; N141-T144 PolarHBondContact OD1-OG1 3.35Å; T144-V146 PolarHBondContact O-N 3.41Å; T144-V146 VanDerWaalsContact O-N 3.14Å; T144-V146 WeakPolarHBondContact OG1-CB 3.3Å; T144-V146 WeakPolarHBondContact OG1-CG2 3.5Å |
| 145 | E | 82.4 | Confident | 81.7 | Confident | 87 Ų | 87 | 76 Ų | 76 | 41% | 0.407 | 36% | 0.363 | S | S | . | . | trans | 54.1 | 19.7 | -171.7 | -56.1 | -159.5 | 142.3 | 0 | 0 | 114.6 | K7 Y140 N141 | K7-E145 IonicContact NZ-OE1 2.66Å; K7-E145 PolarHBondContact NZ-OE1 2.97Å; K7-E145 IonicContact NZ-OE2 3.69Å; K7-E145 PolarHBondContact NZ-OE2 3.02Å; Y140-E145 HydrophobicContact CE2-CB 4.49Å; N141-E145 VanDerWaalsContact O-CA 3.31Å; N141-E145 WeakPolarHBondContact O-CA 3.25Å; N141-E145 PolarHBondContact O-N 2.83Å | ||
| 146 | V | 75.4 | Confident | 81.2 | Confident | 5 Ų | 5 | 78 Ų | 78 | 3% | 0.03 | 36% | 0.358 | C | S | . | . | trans | -87.5 | 130 | -177.6 | 168.8 | 0 | 0 | 0 | 0 | 111.5 | V2 Y4 W127 Y140 N141 T144 Q148 | V2-V146 HydrophobicContact CG1-CG1 3.65Å; V2-V146 HydrophobicContact CG1-CG2 4.15Å; Y4-V146 HydrophobicContact CD1-CG2 3.69Å; Y4-V146 HydrophobicContact CE1-CG2 3.35Å; W127-V146 HydrophobicContact CH2-CG1 4.34Å; Y140-V146 CarbonylContact C-O 3.51Å; Y140-V146 WeakPolarHBondContact CA-O 3.3Å; N141-V146 PolarHBondContact N-O 2.68Å; T144-V146 PolarHBondContact O-N 3.41Å; T144-V146 VanDerWaalsContact O-N 3.14Å; T144-V146 WeakPolarHBondContact OG1-CB 3.3Å; T144-V146 WeakPolarHBondContact OG1-CG2 3.5Å; V146-Q148 HydrophobicContact CG1-CG 3.88Å | ||
| 147 | S | 85.4 | Confident | 80.6 | Confident | 46 Ų | 46 | 76.8 Ų | 76.8 | 32% | 0.322 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 139.7 | 166.1 | 57.2 | 0 | 0 | 0 | 0 | 111.9 | Y139 | Y139-S147 CarbonylContact O-C 3.6Å; Y139-S147 WeakPolarHBondContact O-CA 3.33Å |
| 148 | Q | 85.8 | Confident | 79.3 | Confident | 46 Ų | 46 | 75.2 Ų | 75.2 | 22% | 0.215 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 140.9 | 175.3 | -58.5 | -159.2 | 95.5 | 0 | 0 | 111.1 | W127 Y139 V146 | W127-Q148 HydrophobicContact CH2-CG 4.1Å; W127-Q148 VanDerWaalsContact CH2-NE2 3.3Å; W127-Q148 HydrophobicContact CZ3-CG 4.29Å; Y139-Q148 PolarHBondContact N-O 3.14Å; Y139-Q148 PolarHBondContact O-N 3.49Å; V146-Q148 HydrophobicContact CG1-CG 3.88Å |
| 149 | W | 86.2 | Confident | 78.5 | Confident | 160 Ų | 160 | 76.8 Ų | 76.8 | 61% | 0.606 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -84.2 | -21.4 | 175.6 | -63 | 99.7 | 0 | 0 | 0 | 113.1 | K136 Y138 | K136-W149 HydrophobicContact CB-CE3 4.33Å; K136-W149 HydrophobicContact CB-CZ3 3.8Å; Y138-W149 HydrophobicContact CD1-CZ3 4.32Å; Y138-W149 HydrophobicContact CG-CZ3 4.44Å |
| 150 | E | 81.8 | Confident | 77.6 | Confident | 145 Ų | 145 | 80.5 Ų | 80.5 | 68% | 0.678 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -92.5 | 147.5 | 174 | -69.1 | 157.3 | -134.3 | 0 | 0 | 109.5 | Y139 P152 | Y139-E150 WeakPolarHBondContact CD2-O 3.3Å; E150-P152 WeakPolarHBondContact O-CD 3.36Å |
| 151 | K | 84.2 | Confident | 76.4 | Confident | 62 Ų | 62 | 85.2 Ų | 85.2 | 27% | 0.27 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 123.4 | 179.4 | -171.6 | 165.7 | 177.9 | 171.3 | 0 | 109.8 | Y139 W155 E159 | Y139-K151 HydrophobicContact CD1-CG 4.46Å; Y139-K151 HydrophobicContact CD2-CB 4.39Å; Y139-K151 HydrophobicContact CE1-CB 4.28Å; Y139-K151 HydrophobicContact CE1-CD 4.19Å; Y139-K151 HydrophobicContact CE1-CG 3.89Å; Y139-K151 VanDerWaalsContact CE2-CA 3.4Å; Y139-K151 HydrophobicContact CE2-CB 3.74Å; Y139-K151 HydrophobicContact CE2-CG 4.27Å; K151-W155 HydrophobicContact CG-CB 4.46Å; K151-E159 IonicContact NZ-OE2 2.66Å; K151-E159 PolarHBondContact NZ-OE2 3.12Å |
| 152 | P | 80 | Confident | 75.3 | Confident | 3 Ų | 3 | 90.8 Ų | 90.8 | 2% | 0.019 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 140.3 | 179.5 | -24.5 | 32.6 | 0 | 0 | 0 | 111.7 | W127 Y139 E150 E154 W155 L156 | W127-P152 HydrophobicContact CD2-CB 4.11Å; W127-P152 HydrophobicContact CD2-CG 3.58Å; W127-P152 HydrophobicContact CE3-CB 4.44Å; W127-P152 HydrophobicContact CE3-CG 3.48Å; W127-P152 VanDerWaalsContact CE3-CG 3.48Å; W127-P152 HydrophobicContact CG-CG 4.34Å; W127-P152 HydrophobicContact CH2-CB 4.3Å; W127-P152 HydrophobicContact CH2-CG 3.79Å; W127-P152 HydrophobicContact CZ2-CB 3.88Å; W127-P152 HydrophobicContact CZ2-CG 3.82Å; W127-P152 HydrophobicContact CZ3-CG 3.6Å; Y139-P152 HydrophobicContact CG-CG 4.4Å; E150-P152 WeakPolarHBondContact O-CD 3.36Å; P152-E154 VanDerWaalsContact CB-OE2 3.23Å; P152-E154 WeakPolarHBondContact CB-OE2 3.37Å; P152-E154 PolarHBondContact O-N 3.28Å; P152-W155 HydrophobicContact CB-CB 4.45Å; P152-W155 WeakPolarHBondContact O-CB 3.37Å; P152-W155 PolarHBondContact O-N 3.49Å; P152-W155 VanDerWaalsContact O-N 3.08Å; P152-L156 PolarHBondContact O-N 2.74Å |
| 153 | K | 70.9 | Confident | 74.5 | Confident | 174 Ų | 174 | 94.1 Ų | 94.1 | 76% | 0.757 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -65 | -32.7 | -178 | -67.8 | -177.8 | 178.6 | -179.8 | 0 | 111.1 | W155 L156 E157 | K153-W155 PolarHBondContact O-N 2.62Å; K153-L156 PolarHBondContact O-N 2.92Å; K153-L156 VanDerWaalsContact O-N 3.13Å; K153-E157 PolarHBondContact O-N 3.43Å |
| 154 | E | 69 | Low | 73.6 | Confident | 101 Ų | 101 | 92.8 Ų | 92.8 | 47% | 0.472 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.9 | -24 | 177.3 | -50.6 | 72.7 | -159.3 | 0 | 0 | 112 | P152 R158 | P152-E154 VanDerWaalsContact CB-OE2 3.23Å; P152-E154 WeakPolarHBondContact CB-OE2 3.37Å; P152-E154 PolarHBondContact O-N 3.28Å; E154-R158 PolarHBondContact O-NH1 3.41Å |
| 155 | W | 67.9 | Low | 72.7 | Confident | 63 Ų | 63 | 92.1 Ų | 92.1 | 24% | 0.239 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -83.4 | -44.8 | 168 | -159.9 | -41.4 | 0 | 0 | 0 | 110.5 | W127 E129 Y139 K151 P152 K153 E157 R158 E159 | W127-W155 HydrophobicContact CB-CE3 3.51Å; W127-W155 HydrophobicContact CB-CZ3 3.48Å; W127-W155 VanDerWaalsContact CB-CZ3 3.48Å; W127-W155 HydrophobicContact CG-CE3 4.35Å; W127-W155 WeakPolarHBondContact O-CH2 3.49Å; W127-W155 VanDerWaalsContact O-CZ3 3.26Å; W127-W155 WeakPolarHBondContact O-CZ3 3.49Å; E129-W155 HydrophobicContact CB-CH2 4.44Å; Y139-W155 HydrophobicContact CD1-CE3 4.22Å; Y139-W155 HydrophobicContact CD1-CZ3 4.33Å; K151-W155 HydrophobicContact CG-CB 4.46Å; P152-W155 HydrophobicContact CB-CB 4.45Å; P152-W155 WeakPolarHBondContact O-CB 3.37Å; P152-W155 PolarHBondContact O-N 3.49Å; P152-W155 VanDerWaalsContact O-N 3.08Å; K153-W155 PolarHBondContact O-N 2.62Å; W155-E157 VanDerWaalsContact C-N 3.3Å; W155-E157 PolarHBondContact O-N 2.9Å; W155-R158 CarbonylContact O-C 3.58Å; W155-R158 WeakPolarHBondContact O-CA 3.31Å; W155-R158 WeakPolarHBondContact O-CB 3.37Å; W155-R158 PolarHBondContact O-N 2.92Å; W155-E159 PolarHBondContact O-N 2.82Å |
| 156 | L | 74.4 | Confident | 71.6 | Confident | 103 Ų | 103 | 92.1 Ų | 92.1 | 54% | 0.539 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.3 | -37.1 | -177.4 | -164.4 | 139.1 | 0 | 0 | 0 | 112.1 | P152 K153 E159 Q160 | P152-L156 PolarHBondContact O-N 2.74Å; K153-L156 PolarHBondContact O-N 2.92Å; K153-L156 VanDerWaalsContact O-N 3.13Å; L156-E159 PolarHBondContact O-N 2.93Å; L156-Q160 WeakPolarHBondContact O-CB 3.38Å; L156-Q160 PolarHBondContact O-N 2.91Å |
| 157 | E | 72.6 | Confident | 70.7 | Confident | 107 Ų | 107 | 99.5 Ų | 99.5 | 50% | 0.5 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.4 | -35.8 | 171 | -161.5 | -164.6 | 137.6 | 0 | 0 | 112.5 | K153 W155 Q160 R161 | K153-E157 PolarHBondContact O-N 3.43Å; W155-E157 VanDerWaalsContact C-N 3.3Å; W155-E157 PolarHBondContact O-N 2.9Å; E157-Q160 WeakPolarHBondContact O-CB 3.22Å; E157-Q160 PolarHBondContact O-N 3.38Å; E157-R161 VanDerWaalsContact O-CB 3.25Å; E157-R161 WeakPolarHBondContact O-CB 3.41Å; E157-R161 PolarHBondContact O-N 3.44Å; E157-R161 IonicContact OE1-CZ 3.55Å; E157-R161 IonicContact OE1-NE 3.68Å; E157-R161 IonicContact OE1-NH2 3.27Å; E157-R161 PolarHBondContact OE1-NH2 2.87Å |
| 158 | R | 64 | Low | 69.2 | Low | 57 Ų | 57 | 100.8 Ų | 100.8 | 22% | 0.215 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -68.5 | -38.5 | 174.8 | 178.7 | 174.4 | -70.5 | 76.2 | 24.2 | 112.3 | E122 G124 E154 W155 R161 Q162 | E122-R158 IonicContact OE2-NH2 2.57Å; G124-R158 VanDerWaalsContact CA-NH1 3.31Å; G124-R158 PolarHBondContact O-NH1 3.18Å; E154-R158 PolarHBondContact O-NH1 3.41Å; W155-R158 CarbonylContact O-C 3.58Å; W155-R158 WeakPolarHBondContact O-CA 3.31Å; W155-R158 WeakPolarHBondContact O-CB 3.37Å; W155-R158 PolarHBondContact O-N 2.92Å; R158-R161 PolarHBondContact O-N 3.23Å; R158-Q162 WeakPolarHBondContact O-CB 3.33Å; R158-Q162 WeakPolarHBondContact O-CG 3.26Å; R158-Q162 PolarHBondContact O-N 3.15Å |
| 159 | E | 71.3 | Confident | 67.8 | Low | 89 Ų | 89 | 101.3 Ų | 101.3 | 42% | 0.416 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.5 | -42 | 173.6 | -169.4 | 178.2 | 128.8 | 0 | 0 | 111 | K151 W155 L156 Q162 K163 | K151-E159 IonicContact NZ-OE2 2.66Å; K151-E159 PolarHBondContact NZ-OE2 3.12Å; W155-E159 PolarHBondContact O-N 2.82Å; L156-E159 PolarHBondContact O-N 2.93Å; E159-Q162 PolarHBondContact O-N 2.87Å; E159-K163 WeakPolarHBondContact O-CB 3.44Å; E159-K163 PolarHBondContact O-N 2.7Å |
| 160 | Q | 69.2 | Low | 66.2 | Low | 101 Ų | 101 | 98.5 Ų | 98.5 | 47% | 0.472 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -56.8 | -51.5 | 171.1 | -175.8 | 73.7 | 20.9 | 0 | 0 | 111 | L156 E157 Q162 K163 E164 | L156-Q160 WeakPolarHBondContact O-CB 3.38Å; L156-Q160 PolarHBondContact O-N 2.91Å; E157-Q160 WeakPolarHBondContact O-CB 3.22Å; E157-Q160 PolarHBondContact O-N 3.38Å; Q160-Q162 PolarHBondContact O-N 3.17Å; Q160-K163 WeakPolarHBondContact O-CB 3.46Å; Q160-K163 PolarHBondContact O-N 3.47Å; Q160-K163 VanDerWaalsContact O-N 3.17Å; Q160-E164 PolarHBondContact NE2-OE1 2.81Å; Q160-E164 WeakPolarHBondContact O-CB 3.44Å; Q160-E164 WeakPolarHBondContact O-CG 3.33Å; Q160-E164 PolarHBondContact O-N 3.49Å |
| 161 | R | 62.7 | Low | 64.9 | Low | 158 Ų | 158 | 96.9 Ų | 96.9 | 60% | 0.596 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.2 | -36.5 | -178.3 | -163.5 | -178.2 | -66 | -146.9 | 5.2 | 112.7 | E157 R158 A165 | E157-R161 VanDerWaalsContact O-CB 3.25Å; E157-R161 WeakPolarHBondContact O-CB 3.41Å; E157-R161 PolarHBondContact O-N 3.44Å; E157-R161 IonicContact OE1-CZ 3.55Å; E157-R161 IonicContact OE1-NE 3.68Å; E157-R161 IonicContact OE1-NH2 3.27Å; E157-R161 PolarHBondContact OE1-NH2 2.87Å; R158-R161 PolarHBondContact O-N 3.23Å; R161-A165 VanDerWaalsContact O-CB 3.26Å; R161-A165 WeakPolarHBondContact O-CB 3.45Å; R161-A165 PolarHBondContact O-N 3.5Å |
| 162 | Q | 61.3 | Low | 63.4 | Low | 124 Ų | 124 | 101.2 Ų | 101.2 | 58% | 0.579 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.1 | -38.6 | 171.4 | -78.7 | -177 | -7.8 | 0 | 0 | 112.1 | R158 E159 Q160 E164 A165 T166 | R158-Q162 WeakPolarHBondContact O-CB 3.33Å; R158-Q162 WeakPolarHBondContact O-CG 3.26Å; R158-Q162 PolarHBondContact O-N 3.15Å; E159-Q162 PolarHBondContact O-N 2.87Å; Q160-Q162 PolarHBondContact O-N 3.17Å; Q162-E164 VanDerWaalsContact C-N 3.34Å; Q162-A165 PolarHBondContact O-N 2.72Å; Q162-T166 VanDerWaalsContact O-CB 3.3Å; Q162-T166 WeakPolarHBondContact O-CB 3.47Å; Q162-T166 PolarHBondContact O-N 3.29Å; Q162-T166 PolarHBondContact O-OG1 2.89Å |
| 163 | K | 64 | Low | 61.8 | Low | 146 Ų | 146 | 105.1 Ų | 105.1 | 64% | 0.635 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.7 | -35.8 | 177 | -166.2 | 171.9 | -170.2 | 170.9 | 0 | 111.5 | E159 Q160 K167 | E159-K163 WeakPolarHBondContact O-CB 3.44Å; E159-K163 PolarHBondContact O-N 2.7Å; Q160-K163 WeakPolarHBondContact O-CB 3.46Å; Q160-K163 PolarHBondContact O-N 3.47Å; Q160-K163 VanDerWaalsContact O-N 3.17Å; K163-K167 VanDerWaalsContact O-CB 3.3Å; K163-K167 WeakPolarHBondContact O-CB 3.16Å; K163-K167 PolarHBondContact O-N 3.14Å |
| 164 | E | 59.6 | Low | 59.9 | Low | 104 Ų | 104 | 106.3 Ų | 106.3 | 49% | 0.486 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -71.2 | -44.7 | 172.1 | -73.5 | 168.4 | -175.7 | 0 | 0 | 112.2 | Q160 Q162 T166 K167 S168 | Q160-E164 PolarHBondContact NE2-OE1 2.81Å; Q160-E164 WeakPolarHBondContact O-CB 3.44Å; Q160-E164 WeakPolarHBondContact O-CG 3.33Å; Q160-E164 PolarHBondContact O-N 3.49Å; Q162-E164 VanDerWaalsContact C-N 3.34Å; E164-T166 VanDerWaalsContact C-N 3.32Å; E164-T166 PolarHBondContact O-N 3.23Å; E164-K167 WeakPolarHBondContact O-CB 3.45Å; E164-K167 PolarHBondContact O-N 2.85Å; E164-K167 VanDerWaalsContact O-N 3.12Å; E164-S168 PolarHBondContact O-N 3.27Å; E164-S168 PolarHBondContact O-OG 2.94Å |
| 165 | A | 59 | Low | 59.1 | Low | 54 Ų | 54 | 106.3 Ų | 106.3 | 45% | 0.446 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.2 | -35.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R161 Q162 S168 A169 | R161-A165 VanDerWaalsContact O-CB 3.26Å; R161-A165 WeakPolarHBondContact O-CB 3.45Å; R161-A165 PolarHBondContact O-N 3.5Å; Q162-A165 PolarHBondContact O-N 2.72Å; A165-S168 PolarHBondContact O-OG 2.78Å; A165-A169 VanDerWaalsContact O-CB 3.29Å; A165-A169 WeakPolarHBondContact O-CB 3.15Å; A165-A169 PolarHBondContact O-N 2.92Å |
| 166 | T | 58.4 | Low | 57.9 | Low | 87 Ų | 87 | 112.4 Ų | 112.4 | 53% | 0.534 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.2 | -39 | 172.8 | -55.1 | 0 | 0 | 0 | 0 | 110.5 | Q162 E164 A169 V170 | Q162-T166 VanDerWaalsContact O-CB 3.3Å; Q162-T166 WeakPolarHBondContact O-CB 3.47Å; Q162-T166 PolarHBondContact O-N 3.29Å; Q162-T166 PolarHBondContact O-OG1 2.89Å; E164-T166 VanDerWaalsContact C-N 3.32Å; E164-T166 PolarHBondContact O-N 3.23Å; T166-A169 PolarHBondContact O-N 3.29Å; T166-V170 WeakPolarHBondContact O-CG2 3.06Å; T166-V170 PolarHBondContact O-N 3.37Å |
| 167 | K | 58.2 | Low | 56.6 | Low | 160 Ų | 160 | 115 Ų | 115 | 70% | 0.696 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.1 | -35.4 | 177.3 | -168.6 | 179.3 | -178.8 | -173.7 | 0 | 112.5 | K163 E164 | K163-K167 VanDerWaalsContact O-CB 3.3Å; K163-K167 WeakPolarHBondContact O-CB 3.16Å; K163-K167 PolarHBondContact O-N 3.14Å; E164-K167 WeakPolarHBondContact O-CB 3.45Å; E164-K167 PolarHBondContact O-N 2.85Å; E164-K167 VanDerWaalsContact O-N 3.12Å |
| 168 | S | 53.7 | Low | 55.1 | Low | 73 Ų | 73 | 119.5 Ų | 119.5 | 51% | 0.51 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -76.4 | -35.8 | 172 | 57.1 | 0 | 0 | 0 | 0 | 112.8 | E164 A165 V170 V171 N172 | E164-S168 PolarHBondContact O-N 3.27Å; E164-S168 PolarHBondContact O-OG 2.94Å; A165-S168 PolarHBondContact O-OG 2.78Å; S168-V170 VanDerWaalsContact C-N 3.31Å; S168-V170 PolarHBondContact O-N 2.73Å; S168-V171 PolarHBondContact O-N 2.69Å; S168-N172 PolarHBondContact O-N 2.85Å |
| 169 | A | 55.1 | Low | 54.3 | Low | 57 Ų | 57 | 120.5 Ų | 120.5 | 47% | 0.471 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -61.5 | -36.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A165 T166 V171 N172 S173 | A165-A169 VanDerWaalsContact O-CB 3.29Å; A165-A169 WeakPolarHBondContact O-CB 3.15Å; A165-A169 PolarHBondContact O-N 2.92Å; T166-A169 PolarHBondContact O-N 3.29Å; A169-V171 VanDerWaalsContact C-N 3.32Å; A169-V171 PolarHBondContact O-N 3.05Å; A169-N172 PolarHBondContact O-N 3.08Å; A169-S173 PolarHBondContact O-N 3.47Å |
| 170 | V | 54.1 | Low | 52.9 | Low | 101 Ų | 101 | 128.2 Ų | 128.2 | 61% | 0.612 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65.8 | -31.7 | 175.1 | 167.2 | 0 | 0 | 0 | 0 | 112.5 | T166 S168 N172 S173 | T166-V170 WeakPolarHBondContact O-CG2 3.06Å; T166-V170 PolarHBondContact O-N 3.37Å; S168-V170 VanDerWaalsContact C-N 3.31Å; S168-V170 PolarHBondContact O-N 2.73Å; V170-N172 VanDerWaalsContact C-N 3.32Å; V170-S173 PolarHBondContact O-N 3.37Å |
| 171 | V | 53.3 | Low | 51.8 | Low | 111 Ų | 111 | 134.3 Ų | 134.3 | 67% | 0.673 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -67.8 | -32.7 | 174.4 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | S168 A169 | S168-V171 PolarHBondContact O-N 2.69Å; A169-V171 VanDerWaalsContact C-N 3.32Å; A169-V171 PolarHBondContact O-N 3.05Å |
| 172 | N | 53.4 | Low | 51 | Low | 152 Ų | 152 | 136.5 Ų | 136.5 | 81% | 0.813 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 11.4 | -179.8 | -92.3 | 26.8 | 0 | 0 | 0 | 114.7 | S168 A169 V170 | S168-N172 PolarHBondContact O-N 2.85Å; A169-N172 PolarHBondContact O-N 3.08Å; V170-N172 VanDerWaalsContact C-N 3.32Å |
| 173 | S | 46.5 | Very low | 49.9 | Very low | 86 Ų | 86 | 140 Ų | 140 | 60% | 0.601 | 69% | 0.686 | S | S | * | * | trans | -125.2 | 67.2 | -176.9 | -160.9 | 0 | 0 | 0 | 0 | 112.8 | A169 V170 P175 | A169-S173 PolarHBondContact O-N 3.47Å; V170-S173 PolarHBondContact O-N 3.37Å; S173-P175 WeakPolarHBondContact O-CD 3.43Å | ||
| 174 | F | 30.6 | Very low | 48.6 | Very low | 198 Ų | 198 | 136.3 Ų | 136.3 | 87% | 0.868 | 68% | 0.682 | S | S | * | * | trans | -98.2 | 110.4 | 163.7 | -102.7 | -84.5 | 0 | 0 | 0 | 109.8 | ||||
| 175 | P | 51.7 | Low | 47.5 | Very low | 102 Ų | 102 | 139.5 Ų | 139.5 | 66% | 0.662 | 70% | 0.699 | S | S | * | * | trans | -79.4 | 143 | -177.8 | -16.3 | 32.1 | 0 | 0 | 0 | 113.8 | S173 | S173-P175 WeakPolarHBondContact O-CD 3.43Š| ||
| 176 | K | 43.1 | Very low | 46.5 | Very low | 191 Ų | 191 | 145.4 Ų | 145.4 | 83% | 0.83 | 72% | 0.718 | S | S | * | * | trans | 78.1 | 123.2 | 151.4 | -67.3 | 171.4 | 178.1 | 174.4 | 0 | 119.3 | ||||
| 177 | D | 47.1 | Very low | 45.2 | Very low | 156 Ų | 156 | 145.7 Ų | 145.7 | 83% | 0.834 | 73% | 0.729 | S | S | * | * | 59.2 | 76.7 | 122.9 | -158.7 | 17.4 | 0 | 0 | 0 | 116.4 | |||||
| 178 | R | 40.2 | Very low | 43.9 | Very low | 202 Ų | 202 | 144.9 Ų | 144.9 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | trans | -134.1 | 133.7 | 161.7 | -81.6 | -148.1 | 63.6 | 165.5 | -7.4 | 113.1 | ||||
| 179 | D | 48.2 | Very low | 42.8 | Very low | 79 Ų | 79 | 145.9 Ų | 145.9 | 42% | 0.422 | 75% | 0.75 | S | S | . | * | trans | 72.9 | 53.3 | 150.3 | -58.4 | 12.8 | 0 | 0 | 0 | 117.8 | R181 | D179-R181 PolarHBondContact O-N 2.78Š| ||
| 180 | Y | 41.9 | Very low | 41.8 | Very low | 251 Ų | 251 | 147.4 Ų | 147.4 | 98% | 0.984 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | 38.4 | 152.2 | -139.3 | -79 | 0 | 0 | 0 | 112.4 | ||
| 181 | R | 46.9 | Very low | 41.7 | Very low | 228 Ų | 228 | 148.7 Ų | 148.7 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140 | 2.9 | -163.9 | -178.1 | 165.4 | -76.9 | -171.3 | -2.3 | 113.7 | D179 | D179-R181 PolarHBondContact O-N 2.78Š|
| 182 | R | 44 | Very low | 40.5 | Very low | 204 Ų | 204 | 147 Ų | 147 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -122.3 | 33.4 | 178.7 | -150.8 | -178.4 | -70.1 | -119.7 | 0.7 | 114.7 | A184 | R182-A184 PolarHBondContact O-N 2.88Š| ||
| 183 | E | 40.1 | Very low | 39.5 | Very low | 199 Ų | 199 | 149.1 Ų | 149.1 | 93% | 0.93 | 78% | 0.78 | S | S | * | * | trans | -73.4 | 81.9 | 151.4 | -91.1 | -62.3 | 144.7 | 0 | 0 | 108.6 | ||||
| 184 | A | 36.3 | Very low | 38.7 | Very low | 68 Ų | 68 | 150.2 Ų | 150.2 | 56% | 0.562 | 78% | 0.783 | S | S | * | * | trans | -155.8 | 98.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R182 | R182-A184 PolarHBondContact O-N 2.88Š| ||
| 185 | M | 36.7 | Very low | 38.6 | Very low | 170 Ų | 170 | 144.1 Ų | 144.1 | 84% | 0.837 | 78% | 0.777 | S | S | * | * | trans | 74.2 | 111.7 | 160.1 | -50.8 | -179.5 | -173.6 | 0 | 0 | 118.7 | ||||
| 186 | Q | 36.7 | Very low | 38.9 | Very low | 179 Ų | 179 | 145.6 Ų | 145.6 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | 54.9 | 102.7 | 133.2 | -59 | 166.7 | 14.1 | 0 | 0 | 117.4 | ||||
| 187 | A | 30.8 | Very low | 38.4 | Very low | 93 Ų | 93 | 146 Ų | 146 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | 64.8 | 107.7 | 69 | 0 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 188 | T | 30.6 | Very low | 37.9 | Very low | 143 Ų | 143 | 143.6 Ų | 143.6 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | 176.7 | 147.9 | 147.6 | -84.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 189 | A | 31.9 | Very low | 37.4 | Very low | 93 Ų | 93 | 139.9 Ų | 139.9 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | 64.1 | 117.6 | 158.4 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 190 | A | 32.9 | Very low | 36.7 | Very low | 90 Ų | 90 | 144.2 Ų | 144.2 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | trans | -95.2 | -171.1 | 131.1 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 191 | P | 52.1 | Low | 36.2 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | cis | -141.7 | -165.9 | 3.7 | 44.5 | -24.8 | 0 | 0 | 0 | 115.7 | ||||
| 192 | G | 29.3 | Very low | 35.3 | Very low | 74 Ų | 74 | 134.8 Ų | 134.8 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | trans | 94.4 | 167 | 162.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 193 | F | 31.6 | Very low | 34.8 | Very low | 197 Ų | 197 | 132.4 Ų | 132.4 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | cis | -157.4 | 180 | -8.8 | -175.7 | -112.8 | 0 | 0 | 0 | 110.2 | ||||
| 194 | T | 31 | Very low | 35.1 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | trans | -64.5 | 163.7 | -164.7 | 62.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 195 | G | 27.9 | Very low | 34.9 | Very low | 71 Ų | 71 | 129.5 Ų | 129.5 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | 135.6 | 126 | 123.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 196 | P | 58.7 | Low | 35 | Very low | 132 Ų | 132 | 126 Ų | 126 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | trans | -118 | 137 | 170.3 | 37.5 | -26.8 | 0 | 0 | 0 | 115.3 | ||||
| 197 | K | 31.9 | Very low | 34.7 | Very low | 201 Ų | 201 | 121.9 Ų | 121.9 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -166 | 137.5 | 165.5 | -138.4 | 175.9 | 177.1 | 179.7 | 0 | 108.2 | ||||
| 198 | S | 36.5 | Very low | 34.7 | Very low | 104 Ų | 104 | 125.3 Ų | 125.3 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | cis | 92.7 | 110.9 | 21.9 | -168.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 199 | T | 29.5 | Very low | 35.8 | Very low | 124 Ų | 124 | 123.5 Ų | 123.5 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | trans | -164.9 | 152.1 | 171.6 | 31.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 200 | Q | 32.5 | Very low | 35.6 | Very low | 171 Ų | 171 | 123.6 Ų | 123.6 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | cis | -160 | 140.1 | -27.4 | -120.9 | 178.8 | -41.3 | 0 | 0 | 106.6 | ||||
| 201 | A | 32.3 | Very low | 35.5 | Very low | 86 Ų | 86 | 127.9 Ų | 127.9 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | 66.5 | 151 | 107.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 202 | E | 28.1 | Very low | 34.6 | Very low | 195 Ų | 195 | 125.7 Ų | 125.7 | 91% | 0.911 | 76% | 0.757 | S | S | * | * | cis | -142.4 | -174.8 | 25.4 | -96.3 | -155.6 | 134.9 | 0 | 0 | 115.8 | ||||
| 203 | K | 33.6 | Very low | 34.8 | Very low | 154 Ų | 154 | 130.9 Ų | 130.9 | 67% | 0.67 | 76% | 0.762 | S | S | * | * | trans | -151.1 | 149.4 | -177.2 | -171.7 | -134.1 | -176.1 | -174.2 | 0 | 109.8 | S205 | K203-S205 PolarHBondContact NZ-OG 3.42Š| ||
| 204 | P | 45.3 | Very low | 34.8 | Very low | 121 Ų | 121 | 126.6 Ų | 126.6 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | -137.1 | 152.5 | 111.1 | 15.9 | 5.9 | 0 | 0 | 0 | 112.7 | |||||
| 205 | S | 33 | Very low | 34.9 | Very low | 84 Ų | 84 | 126.8 Ų | 126.8 | 59% | 0.587 | 76% | 0.762 | S | S | * | * | cis | 81.5 | 136.4 | 39 | -130 | 0 | 0 | 0 | 0 | 114.3 | K203 | K203-S205 PolarHBondContact NZ-OG 3.42Š| ||
| 206 | A | 39.2 | Very low | 35.1 | Very low | 97 Ų | 97 | 128.6 Ų | 128.6 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | cis | -116.3 | -135.5 | 5.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 207 | A | 29.5 | Very low | 33.8 | Very low | 92 Ų | 92 | 127.8 Ų | 127.8 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | cis | -150.5 | -161.5 | 6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 208 | L | 31.9 | Very low | 33.8 | Very low | 165 Ų | 165 | 122 Ų | 122 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | -157.8 | -175.8 | -164.7 | -79.2 | 175.8 | 0 | 0 | 0 | 111 | ||||
| 209 | P | 53 | Low | 33.7 | Very low | 105 Ų | 105 | 122.5 Ų | 122.5 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | cis | -136.4 | -179.9 | -31.1 | 31.3 | -11 | 0 | 0 | 0 | 114.9 | ||||
| 210 | S | 28 | Very low | 33.8 | Very low | 95 Ų | 95 | 120.6 Ų | 120.6 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | 144.2 | 132.2 | 125.8 | -70.7 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 211 | Q | 31.5 | Very low | 34 | Very low | 181 Ų | 181 | 117.9 Ų | 117.9 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | 62 | 154.8 | 139 | -65.3 | -158.7 | 49.8 | 0 | 0 | 121.4 | ||||
| 212 | S | 32.8 | Very low | 34 | Very low | 82 Ų | 82 | 120.7 Ų | 120.7 | 57% | 0.573 | 78% | 0.781 | S | S | * | * | cis | -171 | 172.2 | -16.5 | -91.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 213 | Q | 34.2 | Very low | 34.3 | Very low | 183 Ų | 183 | 118.2 Ų | 118.2 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | trans | 72.7 | 122.6 | 167 | -62.3 | 178.9 | 20.6 | 0 | 0 | 116.1 | ||||
| 214 | S | 31.2 | Very low | 34.9 | Very low | 106 Ų | 106 | 116.5 Ų | 116.5 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | 77.5 | 135.5 | 51.2 | 81.3 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 215 | S | 32 | Very low | 34.4 | Very low | 114 Ų | 114 | 115.9 Ų | 115.9 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | cis | -146.6 | -153.8 | 11.5 | 59.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 216 | S | 32.3 | Very low | 34.3 | Very low | 109 Ų | 109 | 117.4 Ų | 117.4 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | cis | -149.3 | -107 | 16.9 | 55.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 217 | S | 32.5 | Very low | 34 | Very low | 115 Ų | 115 | 117.6 Ų | 117.6 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -164.2 | 170 | -166 | 56.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 218 | G | 30.6 | Very low | 35.1 | Very low | 78 Ų | 78 | 118.8 Ų | 118.8 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | cis | -172.4 | -172.4 | 5.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 219 | A | 35.6 | Very low | 35.7 | Very low | 115 Ų | 115 | 117.2 Ų | 117.2 | 95% | 0.95 | 79% | 0.789 | S | S | * | * | trans | -102 | 163.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 220 | G | 30.6 | Very low | 34.5 | Very low | 84 Ų | 84 | 115.9 Ų | 115.9 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | trans | -165.4 | 128.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 221 | S | 36.2 | Very low | 34.7 | Very low | 115 Ų | 115 | 117 Ų | 117 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -125.2 | 136.8 | 173.1 | 172.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 222 | V | 33.9 | Very low | 34.7 | Very low | 145 Ų | 145 | 114.4 Ų | 114.4 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | trans | -177.1 | 163 | 132.7 | -91.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 223 | N | 34.3 | Very low | 34.5 | Very low | 143 Ų | 143 | 115 Ų | 115 | 77% | 0.765 | 82% | 0.815 | S | S | * | * | trans | -127 | 145.8 | 174.8 | -168 | 37.1 | 0 | 0 | 0 | 109 | ||||
| 224 | P | 45.6 | Very low | 34.1 | Very low | 118 Ų | 118 | 111.2 Ų | 111.2 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | trans | -140 | 161 | 139.9 | 36.9 | -23.2 | 0 | 0 | 0 | 114.5 | ||||
| 225 | S | 34.3 | Very low | 34.1 | Very low | 107 Ų | 107 | 112.5 Ų | 112.5 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | trans | -93.7 | 151.1 | -174.1 | -44.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 226 | S | 30.6 | Very low | 34 | Very low | 116 Ų | 116 | 112.7 Ų | 112.7 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | 171.3 | 134.6 | 121.8 | 57.7 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 227 | A | 33.3 | Very low | 34.1 | Very low | 101 Ų | 101 | 113.7 Ų | 113.7 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | 67.1 | 155.4 | 143.9 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 228 | P | 53.3 | Low | 34 | Very low | 118 Ų | 118 | 114 Ų | 114 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | trans | -107.9 | 175.7 | -172.4 | 43.7 | -36.2 | 0 | 0 | 0 | 114 | ||||
| 229 | P | 43.2 | Very low | 34 | Very low | 131 Ų | 131 | 115.8 Ų | 115.8 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | -153.3 | 179.4 | 98.7 | 41.7 | -25.3 | 0 | 0 | 0 | 116 | |||||
| 230 | G | 27.9 | Very low | 34.1 | Very low | 77 Ų | 77 | 115.9 Ų | 115.9 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | 110.4 | 130.5 | 145.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 231 | S | 32.1 | Very low | 33.9 | Very low | 118 Ų | 118 | 118.4 Ų | 118.4 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -117.9 | 142.4 | 176.9 | -51.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 232 | S | 31.7 | Very low | 33.6 | Very low | 127 Ų | 127 | 121 Ų | 121 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | 175.5 | 162.9 | 132 | -81.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 233 | A | 29.6 | Very low | 33.4 | Very low | 96 Ų | 96 | 123.4 Ų | 123.4 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | trans | -57.7 | 167.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 234 | S | 26.4 | Very low | 33 | Very low | 102 Ų | 102 | 121.9 Ų | 121.9 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | cis | -170.7 | 179.9 | 41.6 | -161.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 235 | T | 30.9 | Very low | 32.1 | Very low | 134 Ų | 134 | 122.2 Ų | 122.2 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | 71.5 | 148.9 | 167.2 | 57.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 236 | V | 30.2 | Very low | 31.8 | Very low | 118 Ų | 118 | 123.1 Ų | 123.1 | 72% | 0.715 | 81% | 0.81 | S | S | * | * | trans | -124.3 | 159.2 | -174.8 | -139.6 | 0 | 0 | 0 | 0 | 108.5 | V238 | V236-V238 HydrophobicContact CG1-CG2 3.87Š| ||
| 237 | P | 32.5 | Very low | 31.9 | Very low | 130 Ų | 130 | 122.5 Ų | 122.5 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | -137.5 | 158.2 | 87 | 24.1 | -3.7 | 0 | 0 | 0 | 114.8 | |||||
| 238 | V | 32.3 | Very low | 32.4 | Very low | 120 Ų | 120 | 123.4 Ų | 123.4 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -106.6 | 142.5 | 179.3 | 165.4 | 0 | 0 | 0 | 0 | 110.8 | V236 | V236-V238 HydrophobicContact CG1-CG2 3.87Š| ||
| 239 | S | 28.7 | Very low | 32 | Very low | 117 Ų | 117 | 123.5 Ų | 123.5 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -154 | 154.7 | 160.7 | -86.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 240 | P | 38.3 | Very low | 32.2 | Very low | 116 Ų | 116 | 123.3 Ų | 123.3 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | -111.8 | 158.6 | -119.7 | 38 | -36.6 | 0 | 0 | 0 | 116.5 | |||||
| 241 | V | 27.5 | Very low | 33.1 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 136.4 | 163.5 | 172.7 | 0 | 0 | 0 | 0 | 109.8 | Q243 | V241-Q243 PolarHBondContact O-N 3.45Š|
| 242 | L | 29.1 | Very low | 33.7 | Very low | 171 Ų | 171 | 126.1 Ų | 126.1 | 90% | 0.895 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 123.2 | 178.7 | -72.4 | 162.5 | 0 | 0 | 0 | 111.7 | ||
| 243 | Q | 29.2 | Very low | 34.8 | Very low | 194 Ų | 194 | 124.3 Ų | 124.3 | 91% | 0.907 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 136.1 | 170.8 | -66.2 | -178.9 | -76.8 | 0 | 0 | 110.8 | V241 | V241-Q243 PolarHBondContact O-N 3.45Š|
| 244 | S | 26.1 | Very low | 35.7 | Very low | 112 Ų | 112 | 125 Ų | 125 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 129.5 | 173 | 54.5 | 0 | 0 | 0 | 0 | 111.6 | T246 | S244-T246 PolarHBondContact O-N 2.82Š|
| 245 | S | 26.6 | Very low | 37.2 | Very low | 124 Ų | 124 | 124.6 Ų | 124.6 | 87% | 0.867 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 120.5 | 178.9 | 47.1 | 0 | 0 | 0 | 0 | 113 | ||
| 246 | T | 27.9 | Very low | 38.5 | Very low | 127 Ų | 127 | 121.2 Ų | 121.2 | 78% | 0.779 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -94 | 156 | 164.3 | 42.3 | 0 | 0 | 0 | 0 | 110.8 | S244 | S244-T246 PolarHBondContact O-N 2.82Š|
| 247 | P | 33.9 | Very low | 39.8 | Very low | 102 Ų | 102 | 125 Ų | 125 | 66% | 0.662 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 152 | -159.9 | 30.6 | -36.7 | 0 | 0 | 0 | 115.1 | I249 | P247-I249 PolarHBondContact O-N 3.42Š|
| 248 | P | 43.7 | Very low | 41.1 | Very low | 120 Ų | 120 | 126.2 Ų | 126.2 | 78% | 0.779 | 70% | 0.704 | S | S | * | * | trans | -78.2 | 90.2 | 177.8 | 32.5 | -34.8 | 0 | 0 | 0 | 111.6 | ||||
| 249 | I | 43.7 | Very low | 42.3 | Very low | 121 Ų | 121 | 124.6 Ų | 124.6 | 62% | 0.621 | 69% | 0.691 | S | S | * | * | trans | -118.6 | -10.9 | 174.9 | -84.5 | 174.7 | 0 | 0 | 0 | 113.1 | P247 Q251 | P247-I249 PolarHBondContact O-N 3.42Å; I249-Q251 PolarHBondContact O-N 3.45Å | ||
| 250 | L | 47.3 | Very low | 44.1 | Very low | 126 Ų | 126 | 120.6 Ų | 120.6 | 66% | 0.66 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | 55.4 | -177 | -61.1 | 179.6 | 0 | 0 | 0 | 113.2 | ||
| 251 | Q | 48 | Very low | 45.3 | Very low | 179 Ų | 179 | 118.7 Ų | 118.7 | 84% | 0.836 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.1 | -9.8 | 171.8 | -79 | -174.9 | -20.7 | 0 | 0 | 114.4 | I249 P253 | I249-Q251 PolarHBondContact O-N 3.45Å; Q251-P253 WeakPolarHBondContact O-CD 3.31Å |
| 252 | D | 44.5 | Very low | 46.6 | Very low | 76 Ų | 76 | 115 Ų | 115 | 41% | 0.406 | 63% | 0.632 | S | S | . | * | trans | -90.4 | 114.3 | -179.9 | -175.5 | -0.2 | 0 | 0 | 0 | 111.7 | N254 L255 | D252-N254 PolarHBondContact O-N 2.88Å; D252-N254 VanDerWaalsContact OD1-CB 3.29Å; D252-N254 WeakPolarHBondContact OD1-CB 3.49Å; D252-N254 PolarHBondContact OD1-N 3.35Å; D252-N254 PolarHBondContact OD1-ND2 2.98Å; D252-L255 HydrophobicContact CB-CB 4.36Å; D252-L255 HydrophobicContact CB-CD1 4.25Å; D252-L255 PolarHBondContact O-N 3Å | ||
| 253 | P | 54.8 | Low | 48.2 | Very low | 88 Ų | 88 | 108.8 Ų | 108.8 | 57% | 0.571 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.7 | -17.8 | 177.3 | 28.9 | -35.8 | 0 | 0 | 0 | 113.3 | Q251 L256 R257 | Q251-P253 WeakPolarHBondContact O-CD 3.31Å; P253-L256 WeakPolarHBondContact O-CB 3.44Å; P253-L256 PolarHBondContact O-N 2.66Å; P253-R257 PolarHBondContact O-N 3.14Å |
| 254 | N | 49.1 | Very low | 49.8 | Very low | 111 Ų | 111 | 100.4 Ų | 100.4 | 59% | 0.594 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -72.7 | -42.4 | 177.7 | -58.3 | -76.3 | 0 | 0 | 0 | 111.1 | D252 L256 R257 Q258 | D252-N254 PolarHBondContact O-N 2.88Å; D252-N254 VanDerWaalsContact OD1-CB 3.29Å; D252-N254 WeakPolarHBondContact OD1-CB 3.49Å; D252-N254 PolarHBondContact OD1-N 3.35Å; D252-N254 PolarHBondContact OD1-ND2 2.98Å; N254-L256 PolarHBondContact O-N 2.66Å; N254-R257 PolarHBondContact O-N 2.7Å; N254-R257 VanDerWaalsContact O-N 3.1Å; N254-Q258 WeakPolarHBondContact O-CB 3.23Å; N254-Q258 PolarHBondContact O-N 2.79Å |
| 255 | L | 57.2 | Low | 51.2 | Low | 93 Ų | 93 | 98.8 Ų | 98.8 | 49% | 0.487 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -56.7 | -35.4 | 171.2 | -99.2 | 160 | 0 | 0 | 0 | 112.1 | D252 Q258 L259 | D252-L255 HydrophobicContact CB-CB 4.36Å; D252-L255 HydrophobicContact CB-CD1 4.25Å; D252-L255 PolarHBondContact O-N 3Å; L255-Q258 WeakPolarHBondContact O-CB 3.49Å; L255-Q258 PolarHBondContact O-N 2.74Å; L255-L259 PolarHBondContact O-N 2.57Å; L255-L259 VanDerWaalsContact O-N 3.11Å |
| 256 | L | 58.6 | Low | 52.6 | Low | 64 Ų | 64 | 95.3 Ų | 95.3 | 34% | 0.335 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.6 | -41.9 | 176 | -158.2 | 65.3 | 0 | 0 | 0 | 112.1 | P253 N254 L259 L260 V287 L292 | P253-L256 WeakPolarHBondContact O-CB 3.44Å; P253-L256 PolarHBondContact O-N 2.66Å; N254-L256 PolarHBondContact O-N 2.66Å; L256-L259 PolarHBondContact O-N 3.38Å; L256-L260 PolarHBondContact O-N 3.2Å; L256-V287 HydrophobicContact CD2-CG1 3.88Å; L256-V287 HydrophobicContact CG-CG1 4.24Å; L256-L292 HydrophobicContact CD1-CD1 3.78Å; L256-L292 HydrophobicContact CD1-CD2 3.76Å; L256-L292 HydrophobicContact CD1-CG 4.39Å |
| 257 | R | 57.4 | Low | 53.9 | Low | 196 Ų | 196 | 91.1 Ų | 91.1 | 74% | 0.74 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -70.4 | -31.4 | 172.9 | -61.2 | -156.7 | 76.8 | 151 | 6.4 | 112.7 | P253 N254 L259 P261 | P253-R257 PolarHBondContact O-N 3.14Å; N254-R257 PolarHBondContact O-N 2.7Å; N254-R257 VanDerWaalsContact O-N 3.1Å; R257-L259 VanDerWaalsContact C-N 3.3Å; R257-L259 PolarHBondContact O-N 3.23Å; R257-P261 WeakPolarHBondContact O-CD 3.36Å |
| 258 | Q | 58.4 | Low | 54.9 | Low | 156 Ų | 156 | 91 Ų | 91 | 73% | 0.729 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66 | -31.7 | 176.8 | -158.4 | 75.3 | -0.2 | 0 | 0 | 112.4 | N254 L255 | N254-Q258 WeakPolarHBondContact O-CB 3.23Å; N254-Q258 PolarHBondContact O-N 2.79Å; L255-Q258 WeakPolarHBondContact O-CB 3.49Å; L255-Q258 PolarHBondContact O-N 2.74Å |
| 259 | L | 58 | Low | 55.1 | Low | 86 Ų | 86 | 92.2 Ų | 92.2 | 45% | 0.45 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -91.3 | -17.9 | -175.7 | -150.8 | 124.5 | 0 | 0 | 0 | 113.7 | L255 L256 R257 A262 L263 | L255-L259 PolarHBondContact O-N 2.57Å; L255-L259 VanDerWaalsContact O-N 3.11Å; L256-L259 PolarHBondContact O-N 3.38Å; R257-L259 VanDerWaalsContact C-N 3.3Å; R257-L259 PolarHBondContact O-N 3.23Å; L259-A262 WeakPolarHBondContact O-CB 3.42Å; L259-A262 PolarHBondContact O-N 3.33Å; L259-L263 HydrophobicContact CD2-CD1 4.02Å; L259-L263 HydrophobicContact CD2-CG 4.06Å; L259-L263 PolarHBondContact O-N 2.93Å |
| 260 | L | 67.6 | Low | 55.6 | Low | 33 Ų | 33 | 91.6 Ų | 91.6 | 17% | 0.173 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -56.2 | -45.5 | 177.9 | 176.7 | 65.7 | 0 | 0 | 0 | 113.5 | L256 A262 L263 Q264 L283 V287 | L256-L260 PolarHBondContact O-N 3.2Å; L260-A262 VanDerWaalsContact C-N 3.3Å; L260-A262 PolarHBondContact O-N 3.13Å; L260-L263 PolarHBondContact O-N 3.18Å; L260-Q264 PolarHBondContact O-N 3.31Å; L260-L283 HydrophobicContact CD1-CB 3.82Å; L260-L283 HydrophobicContact CD1-CD1 4.11Å; L260-L283 HydrophobicContact CD1-CG 4.43Å; L260-V287 HydrophobicContact CD1-CG2 4.43Å |
| 261 | P | 62.7 | Low | 56 | Low | 76 Ų | 76 | 89.4 Ų | 89.4 | 49% | 0.494 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.8 | -29.6 | 176.5 | -22.5 | 34.6 | 0 | 0 | 0 | 114.1 | R257 Q264 T265 | R257-P261 WeakPolarHBondContact O-CD 3.36Å; P261-Q264 WeakPolarHBondContact O-CB 3.38Å; P261-Q264 PolarHBondContact O-N 3.06Å; P261-T265 WeakPolarHBondContact O-CB 3.37Å; P261-T265 PolarHBondContact O-N 2.88Å; P261-T265 PolarHBondContact O-OG1 3.4Å |
| 262 | A | 55.1 | Low | 56.2 | Low | 61 Ų | 61 | 86.1 Ų | 86.1 | 50% | 0.504 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69.4 | -42.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L259 L260 T265 A266 | L259-A262 WeakPolarHBondContact O-CB 3.42Å; L259-A262 PolarHBondContact O-N 3.33Å; L260-A262 VanDerWaalsContact C-N 3.3Å; L260-A262 PolarHBondContact O-N 3.13Å; A262-T265 PolarHBondContact O-N 2.85Å; A262-A266 WeakPolarHBondContact O-CB 3.47Å; A262-A266 PolarHBondContact O-N 2.83Å |
| 263 | L | 62.4 | Low | 56.7 | Low | 40 Ų | 40 | 90 Ų | 90 | 21% | 0.209 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 172.3 | -68.4 | 171.2 | 0 | 0 | 0 | 111.8 | L259 L260 T265 A266 L267 | L259-L263 HydrophobicContact CD2-CD1 4.02Å; L259-L263 HydrophobicContact CD2-CG 4.06Å; L259-L263 PolarHBondContact O-N 2.93Å; L260-L263 PolarHBondContact O-N 3.18Å; L263-T265 VanDerWaalsContact C-N 3.33Å; L263-T265 PolarHBondContact O-N 3.43Å; L263-A266 PolarHBondContact O-N 2.81Å; L263-L267 WeakPolarHBondContact O-CG 3.11Å; L263-L267 PolarHBondContact O-N 2.85Å; L263-L267 VanDerWaalsContact O-N 3.11Å |
| 264 | Q | 62 | Low | 56.8 | Low | 18 Ų | 18 | 89.1 Ų | 89.1 | 8% | 0.084 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -55.3 | -48.6 | 174.1 | -160.2 | 81.9 | 36.5 | 0 | 0 | 111.2 | L260 P261 L267 Q268 M276 N280 L283 | L260-Q264 PolarHBondContact O-N 3.31Å; P261-Q264 WeakPolarHBondContact O-CB 3.38Å; P261-Q264 PolarHBondContact O-N 3.06Å; Q264-L267 PolarHBondContact O-N 3.48Å; Q264-Q268 WeakPolarHBondContact O-CB 3.32Å; Q264-Q268 PolarHBondContact O-N 2.87Å; Q264-M276 HydrophobicContact CG-CE 3.8Å; Q264-M276 HydrophobicContact CG-SD 4.5Å; Q264-N280 PolarHBondContact NE2-ND2 2.91Å; Q264-N280 VanDerWaalsContact NE2-ND2 3.18Å; Q264-N280 PolarHBondContact OE1-OD1 2.84Å; Q264-L283 VanDerWaalsContact OE1-CD1 3.26Å |
| 265 | T | 56.5 | Low | 57.5 | Low | 77 Ų | 77 | 87.4 Ų | 87.4 | 47% | 0.472 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.4 | -42.9 | -177.7 | -52.9 | 0 | 0 | 0 | 0 | 111.6 | P261 A262 L263 L267 Q268 L269 | P261-T265 WeakPolarHBondContact O-CB 3.37Å; P261-T265 PolarHBondContact O-N 2.88Å; P261-T265 PolarHBondContact O-OG1 3.4Å; A262-T265 PolarHBondContact O-N 2.85Å; L263-T265 VanDerWaalsContact C-N 3.33Å; L263-T265 PolarHBondContact O-N 3.43Å; T265-L267 VanDerWaalsContact C-N 3.3Å; T265-L267 PolarHBondContact O-N 3.47Å; T265-Q268 PolarHBondContact O-N 3.36Å; T265-Q268 VanDerWaalsContact O-N 3.17Å; T265-L269 HydrophobicContact CG2-CD1 4.41Å; T265-L269 WeakPolarHBondContact O-CG 3.34Å; T265-L269 PolarHBondContact O-N 3.19Å |
| 266 | A | 55.4 | Low | 57.6 | Low | 52 Ų | 52 | 86 Ų | 86 | 43% | 0.43 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.7 | -35.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A262 L263 N270 | A262-A266 WeakPolarHBondContact O-CB 3.47Å; A262-A266 PolarHBondContact O-N 2.83Å; L263-A266 PolarHBondContact O-N 2.81Å; A266-N270 PolarHBondContact O-ND2 2.84Å |
| 267 | L | 56.2 | Low | 57.9 | Low | 39 Ų | 39 | 87.2 Ų | 87.2 | 20% | 0.204 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -71.3 | -42.9 | 172.6 | -68.8 | 170 | 0 | 0 | 0 | 111.9 | L263 Q264 T265 L269 N270 N271 I279 L283 F307 | L263-L267 WeakPolarHBondContact O-CG 3.11Å; L263-L267 PolarHBondContact O-N 2.85Å; L263-L267 VanDerWaalsContact O-N 3.11Å; Q264-L267 PolarHBondContact O-N 3.48Å; T265-L267 VanDerWaalsContact C-N 3.3Å; T265-L267 PolarHBondContact O-N 3.47Å; L267-L269 VanDerWaalsContact C-N 3.33Å; L267-L269 PolarHBondContact O-N 3Å; L267-N270 PolarHBondContact O-N 3.45Å; L267-N271 PolarHBondContact O-N 2.91Å; L267-I279 HydrophobicContact CD1-CG2 3.92Å; L267-L283 HydrophobicContact CD1-CD1 4.14Å; L267-L283 HydrophobicContact CD1-CD2 4.33Å; L267-L283 HydrophobicContact CD1-CG 4.49Å; L267-F307 HydrophobicContact CD2-CE1 4.08Å; L267-F307 HydrophobicContact CD2-CZ 3.68Å |
| 268 | Q | 53.8 | Low | 58.1 | Low | 99 Ų | 99 | 83.8 Ų | 83.8 | 46% | 0.463 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.3 | -33.2 | -176.3 | -164.6 | 167.1 | 17 | 0 | 0 | 113 | Q264 T265 N270 M276 | Q264-Q268 WeakPolarHBondContact O-CB 3.32Å; Q264-Q268 PolarHBondContact O-N 2.87Å; T265-Q268 PolarHBondContact O-N 3.36Å; T265-Q268 VanDerWaalsContact O-N 3.17Å; Q268-N270 PolarHBondContact O-N 3.04Å; Q268-M276 HydrophobicContact CG-SD 4.45Å |
| 269 | L | 49.3 | Very low | 58.4 | Low | 145 Ų | 145 | 77.9 Ų | 77.9 | 76% | 0.759 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -18 | 171.8 | -70.9 | 172.7 | 0 | 0 | 0 | 113.9 | T265 L267 | T265-L269 HydrophobicContact CG2-CD1 4.41Å; T265-L269 WeakPolarHBondContact O-CG 3.34Å; T265-L269 PolarHBondContact O-N 3.19Å; L267-L269 VanDerWaalsContact C-N 3.33Å; L267-L269 PolarHBondContact O-N 3Å |
| 270 | N | 53.2 | Low | 58.7 | Low | 109 Ų | 109 | 77 Ų | 77 | 58% | 0.583 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | -9.1 | -177.6 | -78.1 | -83.4 | 0 | 0 | 0 | 114.1 | A266 L267 Q268 | A266-N270 PolarHBondContact O-ND2 2.84Å; L267-N270 PolarHBondContact O-N 3.45Å; Q268-N270 PolarHBondContact O-N 3.04Å |
| 271 | N | 54.7 | Low | 58.7 | Low | 80 Ų | 80 | 82 Ų | 82 | 43% | 0.428 | 47% | 0.465 | S | S | . | . | trans | -157 | 111.4 | 177.2 | -100 | -62.4 | 0 | 0 | 0 | 112.8 | L267 V274 | L267-N271 PolarHBondContact O-N 2.91Å; N271-V274 HydrophobicContact CB-CG2 4.19Å | ||
| 272 | A | 52.4 | Low | 58.7 | Low | 110 Ų | 110 | 80.8 Ų | 80.8 | 91% | 0.909 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -7.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 273 | N | 55.8 | Low | 59.2 | Low | 156 Ų | 156 | 78.6 Ų | 78.6 | 83% | 0.834 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.9 | 26.7 | -168.7 | -161.6 | 75.7 | 0 | 0 | 0 | 113.8 | ||
| 274 | V | 57.7 | Low | 59.3 | Low | 70 Ų | 70 | 80.1 Ų | 80.1 | 42% | 0.424 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -116.5 | 132 | 175.6 | -177.9 | 0 | 0 | 0 | 0 | 109.6 | N271 M276 I279 | N271-V274 HydrophobicContact CB-CG2 4.19Å; V274-M276 PolarHBondContact O-N 3.37Å; V274-I279 HydrophobicContact CB-CD1 4.09Å; V274-I279 HydrophobicContact CG1-CD1 3.8Å; V274-I279 HydrophobicContact CG1-CG1 3.9Å |
| 275 | D | 63.3 | Low | 59.2 | Low | 75 Ų | 75 | 81.9 Ų | 81.9 | 40% | 0.401 | 47% | 0.465 | S | S | . | . | trans | -60.2 | 115.1 | -179.1 | -179.5 | -8.2 | 0 | 0 | 0 | 111.6 | T277 K278 I279 | D275-T277 PolarHBondContact O-N 3.27Å; D275-T277 WeakPolarHBondContact OD1-CB 3.32Å; D275-T277 PolarHBondContact OD1-N 3.18Å; D275-T277 PolarHBondContact OD1-OG1 3.41Å; D275-T277 PolarHBondContact OD2-OG1 2.98Å; D275-K278 HydrophobicContact CB-CD 4.23Å; D275-K278 HydrophobicContact CB-CG 4.48Å; D275-K278 PolarHBondContact O-N 2.74Å; D275-K278 WeakPolarHBondContact OD2-CE 3.12Å; D275-K278 IonicContact OD2-NZ 2.72Å; D275-I279 PolarHBondContact O-N 2.83Å | ||
| 276 | M | 60.1 | Low | 59.3 | Low | 63 Ų | 63 | 78.9 Ų | 78.9 | 31% | 0.31 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.3 | -27.8 | -178.3 | -86.9 | -72.1 | -73.9 | 0 | 0 | 113.5 | Q264 Q268 V274 I279 N280 | Q264-M276 HydrophobicContact CG-CE 3.8Å; Q264-M276 HydrophobicContact CG-SD 4.5Å; Q268-M276 HydrophobicContact CG-SD 4.45Å; V274-M276 PolarHBondContact O-N 3.37Å; M276-I279 PolarHBondContact O-N 3.02Å; M276-I279 HydrophobicContact SD-CD1 4.46Å; M276-N280 PolarHBondContact O-N 3.1Å; M276-N280 PolarHBondContact O-ND2 3.01Å |
| 277 | T | 64.4 | Low | 59.4 | Low | 91 Ų | 91 | 78.2 Ų | 78.2 | 56% | 0.558 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.8 | -45.3 | 178.6 | 61.6 | 0 | 0 | 0 | 0 | 111 | D275 I279 N280 E281 | D275-T277 PolarHBondContact O-N 3.27Å; D275-T277 WeakPolarHBondContact OD1-CB 3.32Å; D275-T277 PolarHBondContact OD1-N 3.18Å; D275-T277 PolarHBondContact OD1-OG1 3.41Å; D275-T277 PolarHBondContact OD2-OG1 2.98Å; T277-I279 PolarHBondContact O-N 3.28Å; T277-N280 WeakPolarHBondContact O-CB 3.47Å; T277-N280 PolarHBondContact O-N 3.05Å; T277-E281 PolarHBondContact O-N 2.87Å |
| 278 | K | 60.2 | Low | 59.7 | Low | 124 Ų | 124 | 81.6 Ų | 81.6 | 54% | 0.539 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -70 | -33.6 | -179.2 | -60.7 | 174.6 | -171.2 | 168 | 0 | 112.2 | D275 V282 | D275-K278 HydrophobicContact CB-CD 4.23Å; D275-K278 HydrophobicContact CB-CG 4.48Å; D275-K278 PolarHBondContact O-N 2.74Å; D275-K278 WeakPolarHBondContact OD2-CE 3.12Å; D275-K278 IonicContact OD2-NZ 2.72Å; K278-V282 WeakPolarHBondContact O-CB 3.31Å; K278-V282 VanDerWaalsContact O-CG2 3.32Å; K278-V282 WeakPolarHBondContact O-CG2 3.26Å; K278-V282 PolarHBondContact O-N 3.32Å |
| 279 | I | 65 | Low | 59.7 | Low | 31 Ų | 31 | 82.8 Ų | 82.8 | 16% | 0.159 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -65.9 | -45.7 | 173.3 | -59.4 | 175.8 | 0 | 0 | 0 | 110.3 | L267 V274 D275 M276 T277 E281 L283 | L267-I279 HydrophobicContact CD1-CG2 3.92Å; V274-I279 HydrophobicContact CB-CD1 4.09Å; V274-I279 HydrophobicContact CG1-CD1 3.8Å; V274-I279 HydrophobicContact CG1-CG1 3.9Å; D275-I279 PolarHBondContact O-N 2.83Å; M276-I279 PolarHBondContact O-N 3.02Å; M276-I279 HydrophobicContact SD-CD1 4.46Å; T277-I279 PolarHBondContact O-N 3.28Å; I279-E281 PolarHBondContact O-N 3.49Å; I279-L283 HydrophobicContact CG2-CD1 3.89Å; I279-L283 HydrophobicContact CG2-CG 4.44Å; I279-L283 WeakPolarHBondContact O-CB 3.32Å; I279-L283 WeakPolarHBondContact O-CG 3.46Å; I279-L283 PolarHBondContact O-N 2.91Å |
| 280 | N | 65.6 | Low | 59.6 | Low | 67 Ų | 67 | 80.7 Ų | 80.7 | 36% | 0.358 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.7 | -44.2 | 175.4 | -82.8 | -83.7 | 0 | 0 | 0 | 112 | Q264 M276 T277 T284 | Q264-N280 PolarHBondContact NE2-ND2 2.91Å; Q264-N280 VanDerWaalsContact NE2-ND2 3.18Å; Q264-N280 PolarHBondContact OE1-OD1 2.84Å; M276-N280 PolarHBondContact O-N 3.1Å; M276-N280 PolarHBondContact O-ND2 3.01Å; T277-N280 WeakPolarHBondContact O-CB 3.47Å; T277-N280 PolarHBondContact O-N 3.05Å; N280-T284 VanDerWaalsContact O-CB 3.31Å; N280-T284 WeakPolarHBondContact O-CB 3.08Å; N280-T284 PolarHBondContact O-N 3.34Å; N280-T284 PolarHBondContact O-OG1 2.97Å |
| 281 | E | 65.8 | Low | 59.9 | Low | 138 Ų | 138 | 77.5 Ų | 77.5 | 65% | 0.645 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.3 | -50.2 | -180 | -172.8 | 176.6 | -161.1 | 0 | 0 | 111.9 | T277 I279 L283 T284 A285 | T277-E281 PolarHBondContact O-N 2.87Å; I279-E281 PolarHBondContact O-N 3.49Å; E281-L283 PolarHBondContact O-N 3Å; E281-T284 PolarHBondContact O-N 3.39Å; E281-A285 PolarHBondContact O-N 3.02Å |
| 282 | V | 63.2 | Low | 60.1 | Low | 52 Ų | 52 | 75.1 Ų | 75.1 | 32% | 0.315 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 178.5 | 171.8 | 0 | 0 | 0 | 0 | 111.9 | K278 A285 A286 L313 | K278-V282 WeakPolarHBondContact O-CB 3.31Å; K278-V282 VanDerWaalsContact O-CG2 3.32Å; K278-V282 WeakPolarHBondContact O-CG2 3.26Å; K278-V282 PolarHBondContact O-N 3.32Å; V282-A285 PolarHBondContact O-N 2.96Å; V282-A286 VanDerWaalsContact O-CB 3.28Å; V282-A286 WeakPolarHBondContact O-CB 3.38Å; V282-A286 PolarHBondContact O-N 2.98Å; V282-L313 HydrophobicContact CG1-CD2 4.29Å; V282-L313 HydrophobicContact CG2-CD2 4.24Å |
| 283 | L | 65.8 | Low | 60.2 | Low | 14 Ų | 14 | 75.7 Ų | 75.7 | 7% | 0.073 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 173.2 | -77 | 170.2 | 0 | 0 | 0 | 111.4 | L260 Q264 L267 I279 E281 A285 A286 V287 | L260-L283 HydrophobicContact CD1-CB 3.82Å; L260-L283 HydrophobicContact CD1-CD1 4.11Å; L260-L283 HydrophobicContact CD1-CG 4.43Å; Q264-L283 VanDerWaalsContact OE1-CD1 3.26Å; L267-L283 HydrophobicContact CD1-CD1 4.14Å; L267-L283 HydrophobicContact CD1-CD2 4.33Å; L267-L283 HydrophobicContact CD1-CG 4.49Å; I279-L283 HydrophobicContact CG2-CD1 3.89Å; I279-L283 HydrophobicContact CG2-CG 4.44Å; I279-L283 WeakPolarHBondContact O-CB 3.32Å; I279-L283 WeakPolarHBondContact O-CG 3.46Å; I279-L283 PolarHBondContact O-N 2.91Å; E281-L283 PolarHBondContact O-N 3Å; L283-A285 PolarHBondContact O-N 3.46Å; L283-A286 PolarHBondContact O-N 3.31Å; L283-V287 WeakPolarHBondContact O-CB 3.36Å; L283-V287 WeakPolarHBondContact O-CG2 3.5Å; L283-V287 PolarHBondContact O-N 3.36Å |
| 284 | T | 65.3 | Low | 60.2 | Low | 72 Ų | 72 | 71.2 Ų | 71.2 | 44% | 0.442 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.5 | -38.7 | 180 | -57.8 | 0 | 0 | 0 | 0 | 112 | N280 E281 T288 | N280-T284 VanDerWaalsContact O-CB 3.31Å; N280-T284 WeakPolarHBondContact O-CB 3.08Å; N280-T284 PolarHBondContact O-N 3.34Å; N280-T284 PolarHBondContact O-OG1 2.97Å; E281-T284 PolarHBondContact O-N 3.39Å; T284-T288 WeakPolarHBondContact O-CG2 3.36Å; T284-T288 PolarHBondContact O-N 2.92Å; T284-T288 PolarHBondContact O-OG1 3.26Å |
| 285 | A | 59.2 | Low | 60.2 | Low | 55 Ų | 55 | 70 Ų | 70 | 46% | 0.455 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.6 | -42.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E281 V282 L283 V287 T288 Q289 | E281-A285 PolarHBondContact O-N 3.02Å; V282-A285 PolarHBondContact O-N 2.96Å; L283-A285 PolarHBondContact O-N 3.46Å; A285-V287 VanDerWaalsContact C-N 3.3Å; A285-V287 PolarHBondContact O-N 3.2Å; A285-T288 PolarHBondContact O-N 2.82Å; A285-T288 PolarHBondContact O-OG1 3.14Å; A285-Q289 PolarHBondContact O-N 2.86Å |
| 286 | A | 59.3 | Low | 60.1 | Low | 14 Ų | 14 | 68.7 Ų | 68.7 | 12% | 0.116 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -72.8 | -20.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V282 L283 L292 M295 | V282-A286 VanDerWaalsContact O-CB 3.28Å; V282-A286 WeakPolarHBondContact O-CB 3.38Å; V282-A286 PolarHBondContact O-N 2.98Å; L283-A286 PolarHBondContact O-N 3.31Å; A286-L292 PolarHBondContact O-N 3.3Å; A286-M295 HydrophobicContact CB-CE 3.59Å |
| 287 | V | 58.2 | Low | 59.8 | Low | 38 Ų | 38 | 71.8 Ų | 71.8 | 23% | 0.23 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -78.3 | -33.4 | 171.3 | 162.6 | 0 | 0 | 0 | 0 | 112.1 | L256 L260 L283 A285 L292 | L256-V287 HydrophobicContact CD2-CG1 3.88Å; L256-V287 HydrophobicContact CG-CG1 4.24Å; L260-V287 HydrophobicContact CD1-CG2 4.43Å; L283-V287 WeakPolarHBondContact O-CB 3.36Å; L283-V287 WeakPolarHBondContact O-CG2 3.5Å; L283-V287 PolarHBondContact O-N 3.36Å; A285-V287 VanDerWaalsContact C-N 3.3Å; A285-V287 PolarHBondContact O-N 3.2Å; V287-L292 HydrophobicContact CB-CD1 4.38Å; V287-L292 HydrophobicContact CG2-CD1 3.55Å |
| 288 | T | 61.5 | Low | 59.3 | Low | 110 Ų | 110 | 72.5 Ų | 72.5 | 68% | 0.675 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -90.1 | -28.2 | -172.1 | 44 | 0 | 0 | 0 | 0 | 113.8 | T284 A285 | T284-T288 WeakPolarHBondContact O-CG2 3.36Å; T284-T288 PolarHBondContact O-N 2.92Å; T284-T288 PolarHBondContact O-OG1 3.26Å; A285-T288 PolarHBondContact O-N 2.82Å; A285-T288 PolarHBondContact O-OG1 3.14Å |
| 289 | Q | 52.8 | Low | 59 | Low | 125 Ų | 125 | 70.2 Ų | 70.2 | 58% | 0.584 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -84.2 | 152.4 | 155.9 | -66.3 | -172.8 | -1.6 | 0 | 0 | 109.8 | A285 S291 | A285-Q289 PolarHBondContact O-N 2.86Å; Q289-S291 PolarHBondContact O-N 3.02Å |
| 290 | A | 48.7 | Very low | 58.4 | Low | 101 Ų | 101 | 75.7 Ų | 75.7 | 84% | 0.835 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 10.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L292 | A290-L292 PolarHBondContact O-N 3.45Š|
| 291 | S | 59.1 | Low | 57.7 | Low | 42 Ų | 42 | 77.3 Ų | 77.3 | 29% | 0.294 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -57 | -30.8 | 178.3 | -171.1 | 0 | 0 | 0 | 0 | 113.1 | Q289 Q293 S294 M295 | Q289-S291 PolarHBondContact O-N 3.02Å; S291-Q293 VanDerWaalsContact C-N 3.29Å; S291-Q293 PolarHBondContact O-N 3.44Å; S291-Q293 VanDerWaalsContact O-N 3.16Å; S291-S294 CarbonylContact O-C 3.58Å; S291-S294 WeakPolarHBondContact O-CA 3.31Å; S291-S294 WeakPolarHBondContact O-CB 3.35Å; S291-S294 PolarHBondContact O-N 3.39Å; S291-M295 PolarHBondContact O-N 2.96Å |
| 292 | L | 58.2 | Low | 56.8 | Low | 30 Ų | 30 | 73.2 Ų | 73.2 | 16% | 0.157 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -54.7 | -36.6 | -175.3 | -173.1 | 143 | 0 | 0 | 0 | 114.3 | L256 A286 V287 A290 M295 L296 | L256-L292 HydrophobicContact CD1-CD1 3.78Å; L256-L292 HydrophobicContact CD1-CD2 3.76Å; L256-L292 HydrophobicContact CD1-CG 4.39Å; A286-L292 PolarHBondContact O-N 3.3Å; V287-L292 HydrophobicContact CB-CD1 4.38Å; V287-L292 HydrophobicContact CG2-CD1 3.55Å; A290-L292 PolarHBondContact O-N 3.45Å; L292-M295 PolarHBondContact O-N 3.41Å; L292-L296 HydrophobicContact CD2-CD1 3.58Å; L292-L296 HydrophobicContact CD2-CG 4.07Å; L292-L296 WeakPolarHBondContact O-CB 3.31Å; L292-L296 WeakPolarHBondContact O-CG 3.22Å; L292-L296 PolarHBondContact O-N 3.47Å |
| 293 | Q | 54.3 | Low | 55.9 | Low | 121 Ų | 121 | 73 Ų | 73 | 57% | 0.565 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -68.7 | -38.4 | 174.6 | -71.6 | -159.3 | 11.8 | 0 | 0 | 112.5 | S291 M295 H297 | S291-Q293 VanDerWaalsContact C-N 3.29Å; S291-Q293 PolarHBondContact O-N 3.44Å; S291-Q293 VanDerWaalsContact O-N 3.16Å; Q293-M295 VanDerWaalsContact C-N 3.34Å; Q293-H297 VanDerWaalsContact O-CB 3.26Å; Q293-H297 WeakPolarHBondContact O-CB 3.22Å; Q293-H297 PolarHBondContact O-N 3.13Å |
| 294 | S | 56 | Low | 55 | Low | 63 Ų | 63 | 79 Ų | 79 | 44% | 0.441 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.9 | -38 | 173.7 | -171.6 | 0 | 0 | 0 | 0 | 111.4 | S291 K298 | S291-S294 CarbonylContact O-C 3.58Å; S291-S294 WeakPolarHBondContact O-CA 3.31Å; S291-S294 WeakPolarHBondContact O-CB 3.35Å; S291-S294 PolarHBondContact O-N 3.39Å; S294-K298 WeakPolarHBondContact O-CB 3.32Å; S294-K298 VanDerWaalsContact O-CG 3.31Å; S294-K298 WeakPolarHBondContact O-CG 3.47Å; S294-K298 PolarHBondContact O-N 2.97Å |
| 295 | M | 59.3 | Low | 54 | Low | 44 Ų | 44 | 81.5 Ų | 81.5 | 22% | 0.217 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -65.7 | -49.3 | 175.7 | -168.4 | 179.5 | -68.1 | 0 | 0 | 111.7 | A286 S291 L292 Q293 H297 K298 I299 | A286-M295 HydrophobicContact CB-CE 3.59Å; S291-M295 PolarHBondContact O-N 2.96Å; L292-M295 PolarHBondContact O-N 3.41Å; Q293-M295 VanDerWaalsContact C-N 3.34Å; M295-H297 PolarHBondContact O-N 3Å; M295-K298 PolarHBondContact O-N 3.01Å; M295-I299 HydrophobicContact CG-CD1 3.91Å; M295-I299 WeakPolarHBondContact O-CB 3.39Å; M295-I299 VanDerWaalsContact O-CG1 3.27Å; M295-I299 WeakPolarHBondContact O-CG1 3.36Å; M295-I299 PolarHBondContact O-N 3.5Å |
| 296 | L | 59.3 | Low | 53.3 | Low | 47 Ų | 47 | 82.3 Ų | 82.3 | 25% | 0.246 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 175.1 | -71.8 | -179 | 0 | 0 | 0 | 111.8 | L292 K298 I299 L300 | L292-L296 HydrophobicContact CD2-CD1 3.58Å; L292-L296 HydrophobicContact CD2-CG 4.07Å; L292-L296 WeakPolarHBondContact O-CB 3.31Å; L292-L296 WeakPolarHBondContact O-CG 3.22Å; L292-L296 PolarHBondContact O-N 3.47Å; L296-K298 VanDerWaalsContact C-N 3.32Å; L296-K298 PolarHBondContact O-N 2.98Å; L296-I299 PolarHBondContact O-N 2.84Å; L296-L300 WeakPolarHBondContact O-CB 3.36Å; L296-L300 VanDerWaalsContact O-CG 3.27Å; L296-L300 WeakPolarHBondContact O-CG 3.08Å; L296-L300 PolarHBondContact O-N 3.24Å |
| 297 | H | 55.4 | Low | 53 | Low | 129 Ų | 129 | 86 Ų | 86 | 60% | 0.597 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.7 | -41.6 | 175.9 | -170.2 | -64.6 | 0 | 0 | 0 | 111.6 | Q293 M295 L300 T301 | Q293-H297 VanDerWaalsContact O-CB 3.26Å; Q293-H297 WeakPolarHBondContact O-CB 3.22Å; Q293-H297 PolarHBondContact O-N 3.13Å; M295-H297 PolarHBondContact O-N 3Å; H297-L300 PolarHBondContact O-N 2.96Å; H297-T301 PolarHBondContact CE1-OG1 3.03Å; H297-T301 VanDerWaalsContact CE1-OG1 3.27Å; H297-T301 PolarHBondContact ND1-OG1 3.1Å; H297-T301 WeakPolarHBondContact O-CB 3.45Å; H297-T301 PolarHBondContact O-N 3.12Å; H297-T301 PolarHBondContact O-OG1 2.93Å |
| 298 | K | 52.6 | Low | 52.7 | Low | 105 Ų | 105 | 88.5 Ų | 88.5 | 46% | 0.457 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 174.3 | -75 | 173.6 | 179 | 178.1 | 0 | 112.1 | S294 M295 L296 L300 T301 A302 | S294-K298 WeakPolarHBondContact O-CB 3.32Å; S294-K298 VanDerWaalsContact O-CG 3.31Å; S294-K298 WeakPolarHBondContact O-CG 3.47Å; S294-K298 PolarHBondContact O-N 2.97Å; M295-K298 PolarHBondContact O-N 3.01Å; L296-K298 VanDerWaalsContact C-N 3.32Å; L296-K298 PolarHBondContact O-N 2.98Å; K298-L300 VanDerWaalsContact C-N 3.33Å; K298-L300 PolarHBondContact O-N 2.81Å; K298-T301 PolarHBondContact O-N 3.44Å; K298-A302 VanDerWaalsContact O-CB 3.24Å; K298-A302 WeakPolarHBondContact O-CB 3.4Å; K298-A302 PolarHBondContact O-N 2.95Å |
| 299 | I | 53.9 | Low | 52.2 | Low | 76 Ų | 76 | 85.3 Ų | 85.3 | 39% | 0.39 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.6 | -37.2 | 176.9 | -70.6 | 164.5 | 0 | 0 | 0 | 111.9 | M295 L296 | M295-I299 HydrophobicContact CG-CD1 3.91Å; M295-I299 WeakPolarHBondContact O-CB 3.39Å; M295-I299 VanDerWaalsContact O-CG1 3.27Å; M295-I299 WeakPolarHBondContact O-CG1 3.36Å; M295-I299 PolarHBondContact O-N 3.5Å; L296-I299 PolarHBondContact O-N 2.84Å |
| 300 | L | 53 | Low | 52.2 | Low | 147 Ų | 147 | 83.9 Ų | 83.9 | 77% | 0.77 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -83.5 | -25 | -179.4 | -67.7 | 167.7 | 0 | 0 | 0 | 113.4 | L296 H297 K298 | L296-L300 WeakPolarHBondContact O-CB 3.36Å; L296-L300 VanDerWaalsContact O-CG 3.27Å; L296-L300 WeakPolarHBondContact O-CG 3.08Å; L296-L300 PolarHBondContact O-N 3.24Å; H297-L300 PolarHBondContact O-N 2.96Å; K298-L300 VanDerWaalsContact C-N 3.33Å; K298-L300 PolarHBondContact O-N 2.81Å |
| 301 | T | 51.2 | Low | 52.4 | Low | 100 Ų | 100 | 83.1 Ų | 83.1 | 61% | 0.613 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -89.7 | -35.4 | 179 | -53 | 0 | 0 | 0 | 0 | 112.3 | H297 K298 G303 | H297-T301 PolarHBondContact CE1-OG1 3.03Å; H297-T301 VanDerWaalsContact CE1-OG1 3.27Å; H297-T301 PolarHBondContact ND1-OG1 3.1Å; H297-T301 WeakPolarHBondContact O-CB 3.45Å; H297-T301 PolarHBondContact O-N 3.12Å; H297-T301 PolarHBondContact O-OG1 2.93Å; K298-T301 PolarHBondContact O-N 3.44Å; T301-G303 PolarHBondContact O-N 3.06Å |
| 302 | A | 47.4 | Very low | 52.3 | Low | 52 Ų | 52 | 84 Ų | 84 | 43% | 0.43 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -88.2 | 103.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | K298 A306 | K298-A302 VanDerWaalsContact O-CB 3.24Å; K298-A302 WeakPolarHBondContact O-CB 3.4Å; K298-A302 PolarHBondContact O-N 2.95Å; A302-A306 HydrophobicContact CB-CB 4.29Å |
| 303 | G | 43.2 | Very low | 52 | Low | 47 Ų | 47 | 86.5 Ų | 86.5 | 49% | 0.485 | 50% | 0.502 | S | S | . | . | trans | -57 | 164.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | T301 S305 A306 | T301-G303 PolarHBondContact O-N 3.06Å; G303-S305 PolarHBondContact O-N 3.48Å; G303-A306 PolarHBondContact O-N 2.99Å | ||
| 304 | P | 46.9 | Very low | 52 | Low | 141 Ų | 141 | 83.7 Ų | 83.7 | 92% | 0.916 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -0.8 | -159.2 | 22.9 | -35.1 | 0 | 0 | 0 | 117.4 | ||
| 305 | S | 45.3 | Very low | 51.9 | Low | 125 Ų | 125 | 84.8 Ų | 84.8 | 87% | 0.874 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -6.7 | 177.5 | -169.5 | 0 | 0 | 0 | 0 | 114.6 | G303 | G303-S305 PolarHBondContact O-N 3.48Š|
| 306 | A | 43.9 | Very low | 51.5 | Low | 71 Ų | 71 | 84.4 Ų | 84.4 | 59% | 0.587 | 50% | 0.498 | S | S | * | . | trans | -105.4 | 10.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | A302 G303 N308 | A302-A306 HydrophobicContact CB-CB 4.29Å; G303-A306 PolarHBondContact O-N 2.99Å; A306-N308 PolarHBondContact O-N 3.18Å | ||
| 307 | F | 53.1 | Low | 51.2 | Low | 92 Ų | 92 | 84.6 Ų | 84.6 | 40% | 0.404 | 51% | 0.506 | S | S | . | . | trans | -84.6 | 73.1 | -166.9 | -166.6 | -113 | 0 | 0 | 0 | 114.2 | L267 I309 I312 | L267-F307 HydrophobicContact CD2-CE1 4.08Å; L267-F307 HydrophobicContact CD2-CZ 3.68Å; F307-I309 HydrophobicContact CD1-CD1 4.39Å; F307-I309 HydrophobicContact CD1-CG1 3.91Å; F307-I309 HydrophobicContact CE1-CD1 3.7Å; F307-I309 HydrophobicContact CE1-CG1 3.42Å; F307-I309 VanDerWaalsContact CE1-CG1 3.42Å; F307-I309 HydrophobicContact CZ-CD1 4.42Å; F307-I309 HydrophobicContact CZ-CG1 3.94Å; F307-I309 PolarHBondContact O-N 3.39Å; F307-I312 HydrophobicContact CE2-CD1 3.97Å | ||
| 308 | N | 51.9 | Low | 51 | Low | 90 Ų | 90 | 85 Ų | 85 | 48% | 0.481 | 51% | 0.508 | S | S | . | . | trans | -90.5 | 97 | 173.5 | -160.4 | -34.1 | 0 | 0 | 0 | 111.5 | A306 T310 T311 | A306-N308 PolarHBondContact O-N 3.18Å; N308-T310 PolarHBondContact O-N 3.36Å; N308-T310 WeakPolarHBondContact OD1-CB 3.21Å; N308-T310 PolarHBondContact OD1-N 2.77Å; N308-T310 PolarHBondContact OD1-OG1 3.39Å; N308-T311 WeakPolarHBondContact O-CB 3.38Å; N308-T311 PolarHBondContact O-N 3.16Å | ||
| 309 | I | 50.7 | Low | 50.7 | Low | 44 Ų | 44 | 84.2 Ų | 84.2 | 23% | 0.226 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -56.1 | -33.6 | -179.1 | -54.4 | 179.1 | 0 | 0 | 0 | 111.6 | F307 T311 I312 L313 | F307-I309 HydrophobicContact CD1-CD1 4.39Å; F307-I309 HydrophobicContact CD1-CG1 3.91Å; F307-I309 HydrophobicContact CE1-CD1 3.7Å; F307-I309 HydrophobicContact CE1-CG1 3.42Å; F307-I309 VanDerWaalsContact CE1-CG1 3.42Å; F307-I309 HydrophobicContact CZ-CD1 4.42Å; F307-I309 HydrophobicContact CZ-CG1 3.94Å; F307-I309 PolarHBondContact O-N 3.39Å; I309-T311 VanDerWaalsContact C-N 3.26Å; I309-T311 PolarHBondContact O-N 2.92Å; I309-I312 PolarHBondContact O-N 2.97Å; I309-I312 VanDerWaalsContact O-N 3.08Å; I309-L313 HydrophobicContact CG2-CD1 3.89Å; I309-L313 HydrophobicContact CG2-CG 4.06Å; I309-L313 PolarHBondContact O-N 2.93Å |
| 310 | T | 52 | Low | 50.2 | Low | 94 Ų | 94 | 84.1 Ų | 84.1 | 58% | 0.577 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -53.8 | -43.4 | 175.9 | -35.6 | 0 | 0 | 0 | 0 | 111.6 | N308 L313 S314 | N308-T310 PolarHBondContact O-N 3.36Å; N308-T310 WeakPolarHBondContact OD1-CB 3.21Å; N308-T310 PolarHBondContact OD1-N 2.77Å; N308-T310 PolarHBondContact OD1-OG1 3.39Å; T310-L313 PolarHBondContact O-N 2.82Å; T310-S314 WeakPolarHBondContact O-CB 3.25Å; T310-S314 PolarHBondContact O-N 3.49Å; T310-S314 PolarHBondContact O-OG 2.99Å; T310-S314 VanDerWaalsContact O-OG 3.1Å |
| 311 | T | 53.8 | Low | 49.7 | Very low | 85 Ų | 85 | 82 Ų | 82 | 52% | 0.521 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.5 | -37 | 179.3 | -49.3 | 0 | 0 | 0 | 0 | 111.9 | N308 I309 Q315 | N308-T311 WeakPolarHBondContact O-CB 3.38Å; N308-T311 PolarHBondContact O-N 3.16Å; I309-T311 VanDerWaalsContact C-N 3.26Å; I309-T311 PolarHBondContact O-N 2.92Å; T311-Q315 WeakPolarHBondContact O-CB 3.28Å; T311-Q315 PolarHBondContact O-N 3.08Å |
| 312 | I | 56.1 | Low | 49.2 | Very low | 62 Ų | 62 | 84.1 Ų | 84.1 | 32% | 0.318 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.7 | -44.2 | 176.3 | -63.1 | 175.7 | 0 | 0 | 0 | 110.5 | F307 I309 Q315 A316 | F307-I312 HydrophobicContact CE2-CD1 3.97Å; I309-I312 PolarHBondContact O-N 2.97Å; I309-I312 VanDerWaalsContact O-N 3.08Å; I312-Q315 PolarHBondContact O-N 3Å; I312-A316 VanDerWaalsContact O-CB 3.3Å; I312-A316 WeakPolarHBondContact O-CB 3.29Å; I312-A316 PolarHBondContact O-N 2.99Å |
| 313 | L | 53.3 | Low | 48.8 | Very low | 81 Ų | 81 | 84.2 Ų | 84.2 | 42% | 0.424 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 176.5 | -71.4 | 173 | 0 | 0 | 0 | 111.9 | V282 I309 T310 A317 | V282-L313 HydrophobicContact CG1-CD2 4.29Å; V282-L313 HydrophobicContact CG2-CD2 4.24Å; I309-L313 HydrophobicContact CG2-CD1 3.89Å; I309-L313 HydrophobicContact CG2-CG 4.06Å; I309-L313 PolarHBondContact O-N 2.93Å; T310-L313 PolarHBondContact O-N 2.82Å; L313-A317 VanDerWaalsContact O-CB 3.26Å; L313-A317 WeakPolarHBondContact O-CB 3.34Å; L313-A317 PolarHBondContact O-N 3.11Å |
| 314 | S | 54 | Low | 48.7 | Very low | 62 Ų | 62 | 89.5 Ų | 89.5 | 43% | 0.434 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 173 | -64.9 | 0 | 0 | 0 | 0 | 112.3 | T310 A317 Q318 | T310-S314 WeakPolarHBondContact O-CB 3.25Å; T310-S314 PolarHBondContact O-N 3.49Å; T310-S314 PolarHBondContact O-OG 2.99Å; T310-S314 VanDerWaalsContact O-OG 3.1Å; S314-A317 PolarHBondContact O-N 3.24Å; S314-Q318 WeakPolarHBondContact O-CB 3.45Å; S314-Q318 VanDerWaalsContact O-CG 3.25Å; S314-Q318 WeakPolarHBondContact O-CG 3.45Å; S314-Q318 PolarHBondContact O-N 2.71Å |
| 315 | Q | 53.2 | Low | 48.1 | Very low | 87 Ų | 87 | 91 Ų | 91 | 41% | 0.407 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.6 | -37.1 | 179.4 | -172.2 | 158.1 | 107.9 | 0 | 0 | 111.9 | T311 I312 L319 | T311-Q315 WeakPolarHBondContact O-CB 3.28Å; T311-Q315 PolarHBondContact O-N 3.08Å; I312-Q315 PolarHBondContact O-N 3Å; Q315-L319 WeakPolarHBondContact O-CG 3.4Å; Q315-L319 PolarHBondContact O-N 2.9Å; Q315-L319 VanDerWaalsContact O-N 3.08Å |
| 316 | A | 51.6 | Low | 47.5 | Very low | 36 Ų | 36 | 89.5 Ų | 89.5 | 30% | 0.298 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.7 | -42.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I312 Q318 L319 S320 | I312-A316 VanDerWaalsContact O-CB 3.3Å; I312-A316 WeakPolarHBondContact O-CB 3.29Å; I312-A316 PolarHBondContact O-N 2.99Å; A316-Q318 VanDerWaalsContact C-N 3.34Å; A316-Q318 PolarHBondContact O-N 3.43Å; A316-L319 PolarHBondContact O-N 3.01Å; A316-S320 WeakPolarHBondContact O-CB 3.45Å; A316-S320 PolarHBondContact O-N 3.43Å |
| 317 | A | 52.3 | Low | 46.9 | Very low | 51 Ų | 51 | 92.6 Ų | 92.6 | 42% | 0.421 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.6 | -36.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L313 S314 N321 | L313-A317 VanDerWaalsContact O-CB 3.26Å; L313-A317 WeakPolarHBondContact O-CB 3.34Å; L313-A317 PolarHBondContact O-N 3.11Å; S314-A317 PolarHBondContact O-N 3.24Å; A317-N321 PolarHBondContact O-N 2.97Å; A317-N321 PolarHBondContact O-ND2 3.13Å |
| 318 | Q | 51.6 | Low | 45.9 | Very low | 136 Ų | 136 | 97.3 Ų | 97.3 | 64% | 0.636 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.2 | -45.1 | 173.6 | -76.8 | 170.3 | -16.4 | 0 | 0 | 112 | S314 A316 N321 Q322 | S314-Q318 WeakPolarHBondContact O-CB 3.45Å; S314-Q318 VanDerWaalsContact O-CG 3.25Å; S314-Q318 WeakPolarHBondContact O-CG 3.45Å; S314-Q318 PolarHBondContact O-N 2.71Å; A316-Q318 VanDerWaalsContact C-N 3.34Å; A316-Q318 PolarHBondContact O-N 3.43Å; Q318-N321 PolarHBondContact O-N 2.81Å; Q318-Q322 PolarHBondContact O-N 3.29Å; Q318-Q322 VanDerWaalsContact O-N 3.17Å |
| 319 | L | 47.3 | Very low | 44.8 | Very low | 89 Ų | 89 | 98 Ų | 98 | 47% | 0.466 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.5 | -37.8 | 176 | -71.2 | 168.4 | 0 | 0 | 0 | 112.2 | Q315 A316 Q322 | Q315-L319 WeakPolarHBondContact O-CG 3.4Å; Q315-L319 PolarHBondContact O-N 2.9Å; Q315-L319 VanDerWaalsContact O-N 3.08Å; A316-L319 PolarHBondContact O-N 3.01Å; L319-Q322 PolarHBondContact O-N 3.42Å |
| 320 | S | 42.7 | Very low | 44 | Very low | 74 Ų | 74 | 101.8 Ų | 101.8 | 52% | 0.517 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.8 | -44.3 | 173.8 | -174 | 0 | 0 | 0 | 0 | 112.2 | A316 Q322 A323 | A316-S320 WeakPolarHBondContact O-CB 3.45Å; A316-S320 PolarHBondContact O-N 3.43Å; S320-Q322 VanDerWaalsContact C-N 3.34Å; S320-Q322 PolarHBondContact O-N 3.36Å; S320-A323 PolarHBondContact O-N 3.23Å |
| 321 | N | 43.3 | Very low | 42.8 | Very low | 102 Ų | 102 | 104.7 Ų | 104.7 | 55% | 0.545 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.7 | -34.6 | 177.1 | -85.6 | -93.7 | 0 | 0 | 0 | 113 | A317 Q318 A323 Q324 | A317-N321 PolarHBondContact O-N 2.97Å; A317-N321 PolarHBondContact O-ND2 3.13Å; Q318-N321 PolarHBondContact O-N 2.81Å; N321-A323 PolarHBondContact O-N 2.86Å; N321-Q324 PolarHBondContact O-N 3.03Å |
| 322 | Q | 40.6 | Very low | 41.8 | Very low | 145 Ų | 145 | 106.6 Ų | 106.6 | 68% | 0.678 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -60.4 | -35.6 | 178.6 | -168.7 | 176.9 | 103.8 | 0 | 0 | 112.1 | Q318 L319 S320 Q324 Q325 | Q318-Q322 PolarHBondContact O-N 3.29Å; Q318-Q322 VanDerWaalsContact O-N 3.17Å; L319-Q322 PolarHBondContact O-N 3.42Å; S320-Q322 VanDerWaalsContact C-N 3.34Å; S320-Q322 PolarHBondContact O-N 3.36Å; Q322-Q324 VanDerWaalsContact C-N 3.26Å; Q322-Q324 PolarHBondContact O-N 3.02Å; Q322-Q325 PolarHBondContact O-N 2.9Å |
| 323 | A | 38.2 | Very low | 40.6 | Very low | 54 Ų | 54 | 110.2 Ų | 110.2 | 45% | 0.446 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70 | -15.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | S320 N321 | S320-A323 PolarHBondContact O-N 3.23Å; N321-A323 PolarHBondContact O-N 2.86Å |
| 324 | Q | 40.8 | Very low | 39.5 | Very low | 158 Ų | 158 | 112.4 Ų | 112.4 | 74% | 0.738 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -7.7 | -179.9 | -68.3 | -160.3 | -88.6 | 0 | 0 | 114.7 | N321 Q322 | N321-Q324 PolarHBondContact O-N 3.03Å; Q322-Q324 VanDerWaalsContact C-N 3.26Å; Q322-Q324 PolarHBondContact O-N 3.02Å |
| 325 | Q | 35.5 | Very low | 38.4 | Very low | 174 Ų | 174 | 115.3 Ų | 115.3 | 81% | 0.813 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | -15.1 | -178.8 | -66.1 | -169.4 | -9.7 | 0 | 0 | 114.4 | Q322 N327 | Q322-Q325 PolarHBondContact O-N 2.9Å; Q325-N327 VanDerWaalsContact C-N 3.26Å; Q325-N327 PolarHBondContact O-N 3.33Å; Q325-N327 VanDerWaalsContact O-N 3.12Å |
| 326 | S | 31.9 | Very low | 37.1 | Very low | 93 Ų | 93 | 118.3 Ų | 118.3 | 65% | 0.65 | 67% | 0.674 | S | S | * | * | trans | -86.9 | 52 | 175.7 | 66.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 327 | N | 31.5 | Very low | 35.9 | Very low | 135 Ų | 135 | 120.8 Ų | 120.8 | 72% | 0.722 | 70% | 0.695 | S | S | * | * | trans | -136 | 71 | 172.5 | -98.4 | -75 | 0 | 0 | 0 | 111 | Q325 | Q325-N327 VanDerWaalsContact C-N 3.26Å; Q325-N327 PolarHBondContact O-N 3.33Å; Q325-N327 VanDerWaalsContact O-N 3.12Å | ||
| 328 | Q | 31.2 | Very low | 34.8 | Very low | 191 Ų | 191 | 123.8 Ų | 123.8 | 89% | 0.893 | 71% | 0.713 | S | S | * | * | trans | -125.5 | 108.5 | 158.5 | -73.8 | -167.6 | 44.8 | 0 | 0 | 108.8 | ||||
| 329 | S | 28.5 | Very low | 33.6 | Very low | 106 Ų | 106 | 122.5 Ų | 122.5 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 143.5 | 174 | -46.3 | 0 | 0 | 0 | 0 | 110.8 | ||
| 330 | P | 35.3 | Very low | 33.5 | Very low | 123 Ų | 123 | 123.3 Ų | 123.3 | 80% | 0.799 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 156.1 | 147.4 | 32.2 | -27.6 | 0 | 0 | 0 | 110.4 | ||
| 331 | M | 26.7 | Very low | 33.4 | Very low | 154 Ų | 154 | 131.9 Ų | 131.9 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 155.7 | -176.4 | -65.7 | 167.1 | 57.9 | 0 | 0 | 113.5 | L333 | M331-L333 HydrophobicContact CE-CD2 3.77Å; M331-L333 HydrophobicContact CE-CG 4.22Å |
| 332 | S | 31.4 | Very low | 32.8 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | -146.5 | 151.7 | 141.1 | -79.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 333 | L | 32.6 | Very low | 32.3 | Very low | 138 Ų | 138 | 134.8 Ų | 134.8 | 72% | 0.723 | 77% | 0.766 | S | S | * | * | trans | -103.8 | 159.3 | -159.9 | -72.7 | 168.8 | 0 | 0 | 0 | 113.6 | M331 | M331-L333 HydrophobicContact CE-CD2 3.77Å; M331-L333 HydrophobicContact CE-CG 4.22Å | ||
| 334 | T | 30.1 | Very low | 31.9 | Very low | 127 Ų | 127 | 139 Ų | 139 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | 11.4 | 128.7 | 162.1 | 139.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 335 | S | 29.3 | Very low | 31.3 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | -148.8 | 135.8 | 120.9 | -134.4 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 336 | D | 26.3 | Very low | 31.6 | Very low | 150 Ų | 150 | 133 Ų | 133 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | -84.3 | 146.4 | 169.2 | 169.6 | 44.9 | 0 | 0 | 0 | 110.5 | ||||
| 337 | A | 27.6 | Very low | 31.5 | Very low | 88 Ų | 88 | 140 Ų | 140 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -171.9 | 112.4 | 159.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 338 | S | 27.4 | Very low | 31.4 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | 56.4 | 102.4 | 142.9 | -66.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 339 | S | 28 | Very low | 31.2 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | -65.7 | 174.5 | 126 | -144.3 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 340 | P | 45.1 | Very low | 31.4 | Very low | 105 Ų | 105 | 137.1 Ų | 137.1 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | cis | -136.4 | 178.4 | 4.4 | 43.1 | -26 | 0 | 0 | 0 | 115.8 | ||||
| 341 | R | 40.9 | Very low | 31.7 | Very low | 255 Ų | 255 | 136.5 Ų | 136.5 | 96% | 0.962 | 78% | 0.779 | S | S | * | * | trans | -87.8 | 115.5 | 159.5 | -167.8 | 179.2 | -166.8 | 170.6 | 4.1 | 108.7 | ||||
| 342 | S | 29.4 | Very low | 31.8 | Very low | 114 Ų | 114 | 138 Ų | 138 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -140.6 | 170.8 | 176.3 | -160.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 343 | Y | 30.8 | Very low | 31.6 | Very low | 194 Ų | 194 | 137.8 Ų | 137.8 | 76% | 0.761 | 78% | 0.778 | S | S | * | * | trans | -120.5 | 142.5 | -152.8 | -152.5 | -90.1 | 0 | 0 | 0 | 112.3 | ||||
| 344 | V | 29 | Very low | 31.4 | Very low | 143 Ų | 143 | 137.9 Ų | 137.9 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | trans | -134.5 | 138.4 | 162.5 | 175.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 345 | S | 28.6 | Very low | 31.4 | Very low | 88 Ų | 88 | 138.1 Ų | 138.1 | 62% | 0.615 | 78% | 0.781 | S | S | * | * | trans | -96.5 | 162 | -166 | -63.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 346 | P | 41.5 | Very low | 31.6 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | trans | -95.3 | 175.9 | -178.6 | 39.3 | -37.6 | 0 | 0 | 0 | 114.1 | ||||
| 347 | R | 30.4 | Very low | 32.5 | Very low | 238 Ų | 238 | 134.4 Ų | 134.4 | 90% | 0.898 | 77% | 0.774 | S | S | * | * | trans | -103 | 156.9 | 148.1 | -71.5 | -167.7 | 173.8 | -163.9 | 1.4 | 107.6 | ||||
| 348 | I | 28.9 | Very low | 32.6 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 77% | 0.774 | 78% | 0.777 | S | S | * | * | cis | -147.3 | 149.3 | 41.7 | -72.7 | 170.1 | 0 | 0 | 0 | 111.1 | ||||
| 349 | S | 27 | Very low | 32.7 | Very low | 97 Ų | 97 | 140.8 Ų | 140.8 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | 64.4 | 101.7 | 159.5 | -67.4 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 350 | T | 32.7 | Very low | 32.5 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | 46.6 | 150.1 | 116.9 | 60.8 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 351 | P | 42.5 | Very low | 31.6 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | cis | -147.7 | 165.7 | -35.4 | 42.4 | -24.8 | 0 | 0 | 0 | 117.4 | ||||
| 352 | Q | 28 | Very low | 31 | Very low | 186 Ų | 186 | 137.6 Ų | 137.6 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | trans | 82 | 149 | 141.9 | -135.1 | 175.9 | 58.1 | 0 | 0 | 123.5 | ||||
| 353 | T | 27.9 | Very low | 30.7 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | trans | 79.7 | 128.7 | 163.3 | -117.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 354 | N | 27.4 | Very low | 30.6 | Very low | 139 Ų | 139 | 132.7 Ų | 132.7 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | cis | -156.5 | -177 | -17.9 | -148.3 | -14.3 | 0 | 0 | 0 | 112.2 | ||||
| 355 | V | 31.4 | Very low | 30.4 | Very low | 133 Ų | 133 | 134.5 Ų | 134.5 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | trans | -50.3 | 165.3 | 175.1 | -63.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 356 | G | 32.2 | Very low | 31.5 | Very low | 71 Ų | 71 | 135 Ų | 135 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | cis | -174.7 | -167 | 12.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 357 | P | 46.1 | Very low | 30.7 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | trans | -121.1 | 176.4 | -159.7 | 43 | -34 | 0 | 0 | 0 | 116.9 | ||||
| 358 | L | 29.6 | Very low | 30.6 | Very low | 150 Ų | 150 | 131 Ų | 131 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | 177.1 | 125.4 | 144 | -92.2 | 159 | 0 | 0 | 0 | 110 | ||||
| 359 | K | 29.8 | Very low | 30.5 | Very low | 186 Ų | 186 | 129.2 Ų | 129.2 | 81% | 0.809 | 76% | 0.762 | S | S | * | * | 49.4 | 140.4 | 101 | -66.1 | -170.6 | -174.2 | 177.6 | 0 | 116.4 | |||||
| 360 | S | 23.7 | Very low | 30.7 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | cis | -172.9 | -165.7 | -6.7 | 46.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 361 | H | 26.1 | Very low | 31.3 | Very low | 155 Ų | 155 | 132.7 Ų | 132.7 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | cis | -169.1 | 160.1 | 8.9 | -152.5 | -152.6 | 0 | 0 | 0 | 111.8 | ||||
| 362 | L | 28.3 | Very low | 30.4 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | trans | 63.6 | 146.4 | 165.3 | -59.4 | 174.2 | 0 | 0 | 0 | 119 | ||||
| 363 | S | 23.8 | Very low | 30.3 | Very low | 108 Ų | 108 | 133.5 Ų | 133.5 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | cis | 96 | 134.8 | 26.6 | -157.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 364 | A | 27.6 | Very low | 30.2 | Very low | 98 Ų | 98 | 132.6 Ų | 132.6 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | cis | -147.2 | -164 | 16.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 365 | Q | 24.2 | Very low | 30.2 | Very low | 181 Ų | 181 | 132.4 Ų | 132.4 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -111.9 | -164.1 | -173.6 | -106.9 | -160.6 | 19.7 | 0 | 0 | 112 | ||||
| 366 | P | 52 | Low | 30.8 | Very low | 99 Ų | 99 | 131.3 Ų | 131.3 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | -135.8 | -139.2 | -53 | 41.1 | -21.8 | 0 | 0 | 0 | 112.5 | |||||
| 367 | V | 24.7 | Very low | 30.4 | Very low | 122 Ų | 122 | 134 Ų | 134 | 74% | 0.739 | 77% | 0.768 | S | S | * | * | trans | 94.4 | 148 | 162.9 | -178.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 368 | I | 29.4 | Very low | 29.5 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | -170.9 | 159.1 | -50.1 | -126.3 | 166.7 | 0 | 0 | 0 | 112.2 | |||||
| 369 | S | 26.8 | Very low | 29.4 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | 76.5 | 154.9 | 159.3 | -82.2 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 370 | Q | 30.9 | Very low | 29.3 | Very low | 184 Ų | 184 | 136 Ų | 136 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | -114 | -143.2 | 172.4 | -56.5 | -173.3 | -8.7 | 0 | 0 | 109.4 | ||||
| 371 | P | 44.6 | Very low | 30.2 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | cis | -144.3 | -167.3 | -9 | 39.1 | -16 | 0 | 0 | 0 | 117.3 | ||||
| 372 | K | 24.6 | Very low | 30.9 | Very low | 184 Ų | 184 | 134.8 Ų | 134.8 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | 131.2 | 165.8 | 127.6 | -158.3 | 163.9 | -179.8 | -179.9 | 0 | 118.2 | |||||
| 373 | V | 24.9 | Very low | 30.7 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | trans | 92 | 129.3 | 174.8 | -175.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 374 | S | 25.5 | Very low | 30.9 | Very low | 102 Ų | 102 | 137 Ų | 137 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | cis | 111.5 | 142.7 | 6.9 | -56.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 375 | T | 27.1 | Very low | 30.8 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | trans | -114.1 | -167 | -168.8 | 57.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 376 | P | 45.3 | Very low | 31.6 | Very low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | cis | -144.8 | -164.7 | 1.8 | 37.6 | -12.8 | 0 | 0 | 0 | 117.8 | ||||
| 377 | V | 24.1 | Very low | 30.2 | Very low | 129 Ų | 129 | 139.2 Ų | 139.2 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | trans | 107.2 | 124 | 132 | 128.4 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 378 | V | 27.4 | Very low | 30.4 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 71% | 0.709 | 79% | 0.786 | S | S | * | * | trans | 91.1 | 132.9 | 141.2 | 159 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 379 | K | 27.4 | Very low | 30.3 | Very low | 200 Ų | 200 | 141.1 Ų | 141.1 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | trans | 87.9 | 149.4 | 152.4 | -96.2 | 165.1 | -173.9 | 178.3 | 0 | 124 | ||||
| 380 | Q | 26.7 | Very low | 30.3 | Very low | 182 Ų | 182 | 143.8 Ų | 143.8 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | -125.6 | 178 | 169.6 | -66.4 | 179.6 | -43.2 | 0 | 0 | 107.8 | ||||
| 381 | P | 42.5 | Very low | 30 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | cis | -117.9 | -132.2 | -12.1 | 31.4 | -7 | 0 | 0 | 0 | 108.3 | ||||
| 382 | P | 40.7 | Very low | 29 | Very low | 113 Ų | 113 | 142.6 Ų | 142.6 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | cis | -136.1 | 162.6 | -21.9 | 39.2 | -20.3 | 0 | 0 | 0 | 118.3 | ||||
| 383 | H | 24.8 | Very low | 29 | Very low | 182 Ų | 182 | 138.9 Ų | 138.9 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | 33.9 | 112.6 | 140.4 | -160.4 | 73.3 | 0 | 0 | 0 | 122.8 | ||||
| 384 | S | 26.9 | Very low | 29 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -163.7 | 174.3 | 132.8 | 50.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 385 | Q | 26.6 | Very low | 29 | Very low | 178 Ų | 178 | 141.2 Ų | 141.2 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -119.4 | -154.6 | -163 | -146.3 | -162.5 | -12.5 | 0 | 0 | 112.6 | ||||
| 386 | P | 39.7 | Very low | 29.2 | Very low | 101 Ų | 101 | 143.3 Ų | 143.3 | 66% | 0.656 | 79% | 0.794 | S | S | * | * | trans | -114.2 | 160.1 | -130.8 | 40.6 | -24.8 | 0 | 0 | 0 | 116.1 | ||||
| 387 | T | 24.3 | Very low | 28.9 | Very low | 147 Ų | 147 | 143.1 Ų | 143.1 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | trans | -144.6 | 138.6 | 155.9 | -32.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 388 | S | 27.6 | Very low | 29.1 | Very low | 110 Ų | 110 | 145 Ų | 145 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -75.3 | 153.5 | 170 | -44.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 389 | Q | 28.3 | Very low | 29.2 | Very low | 200 Ų | 200 | 141.9 Ų | 141.9 | 94% | 0.935 | 78% | 0.784 | S | S | * | * | trans | -153.1 | 160.3 | 138.2 | -119.2 | 171.5 | 30.8 | 0 | 0 | 112.9 | ||||
| 390 | Q | 27.3 | Very low | 29.4 | Very low | 171 Ų | 171 | 140.7 Ų | 140.7 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -137.7 | 130.7 | -166.3 | 170 | -169.8 | -2.7 | 0 | 0 | 107.7 | ||||
| 391 | S | 23.5 | Very low | 29.4 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | -146.8 | 146.7 | 168.1 | 56.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 392 | L | 23.5 | Very low | 29 | Very low | 148 Ų | 148 | 137.8 Ų | 137.8 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | trans | -118.8 | 153.3 | -179.2 | -79.3 | 163.6 | 0 | 0 | 0 | 109.8 | ||||
| 393 | S | 25.2 | Very low | 28.5 | Very low | 106 Ų | 106 | 138.9 Ų | 138.9 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | 39.8 | 119.6 | 146.9 | -53.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 394 | S | 25.5 | Very low | 29 | Very low | 106 Ų | 106 | 136.9 Ų | 136.9 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | -176.3 | 129.2 | 106.9 | -96.6 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 395 | E | 24.2 | Very low | 29.2 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | 80.1 | 95 | 80 | -155 | 166.7 | 92.1 | 0 | 0 | 111.3 | |||||
| 396 | K | 32.2 | Very low | 29.7 | Very low | 179 Ų | 179 | 132.8 Ų | 132.8 | 78% | 0.778 | 78% | 0.779 | S | S | * | * | 74.7 | 124.3 | 78.7 | 178.1 | 175.4 | 177.7 | -173.2 | 0 | 112.5 | |||||
| 397 | P | 37.8 | Very low | 29.8 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 69% | 0.688 | 79% | 0.785 | S | S | * | * | -149.9 | 152.7 | 100.3 | 31.5 | -10.6 | 0 | 0 | 0 | 118.7 | |||||
| 398 | H | 29.8 | Very low | 30.2 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 78% | 0.778 | 78% | 0.783 | S | S | * | * | trans | 47.4 | 142.2 | 152.2 | -63.4 | 98.3 | 0 | 0 | 0 | 122.1 | ||||
| 399 | G | 28 | Very low | 31 | Very low | 51 Ų | 51 | 137.9 Ų | 137.9 | 53% | 0.526 | 78% | 0.78 | S | S | . | * | cis | 169.6 | 174.4 | -4.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 400 | H | 32.5 | Very low | 31.3 | Very low | 175 Ų | 175 | 136.1 Ų | 136.1 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | 69 | 145.5 | 167.8 | -27.8 | -73.8 | 0 | 0 | 0 | 116.2 | ||||
| 401 | D | 26.1 | Very low | 31.4 | Very low | 161 Ų | 161 | 134.5 Ų | 134.5 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | cis | -146.5 | -176 | -5.6 | -151.7 | -16.1 | 0 | 0 | 0 | 111.4 | ||||
| 402 | A | 34.1 | Very low | 31.8 | Very low | 81 Ų | 81 | 139.2 Ų | 139.2 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | trans | -92.9 | 146 | -156.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 403 | T | 31.4 | Very low | 32.3 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | trans | -174.1 | 144.2 | 147 | 10.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 404 | T | 33.8 | Very low | 32.6 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | cis | -140.4 | -158.9 | -6.9 | -34.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 405 | A | 31.6 | Very low | 32.7 | Very low | 95 Ų | 95 | 138.6 Ų | 138.6 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | -145.1 | 163.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 406 | S | 37.4 | Very low | 33 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -88.4 | 147.2 | 175.7 | 177.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 407 | P | 41.7 | Very low | 33 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | trans | -94.6 | 169.6 | 168.3 | 36.4 | -32 | 0 | 0 | 0 | 113.8 | ||||
| 408 | R | 33.3 | Very low | 32.8 | Very low | 228 Ų | 228 | 142.1 Ų | 142.1 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -138.2 | 148.8 | -153.8 | -144.2 | -167.9 | -177.6 | 131.3 | -5.1 | 114 | ||||
| 409 | T | 44.3 | Very low | 33.3 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | 10.3 | 136.2 | 150.5 | 58.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 410 | L | 34 | Very low | 33.7 | Very low | 163 Ų | 163 | 142.7 Ų | 142.7 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -152.3 | 161.9 | 151.6 | -71.7 | 179.4 | 0 | 0 | 0 | 109.7 | ||||
| 411 | Q | 30.1 | Very low | 34.2 | Very low | 138 Ų | 138 | 140.3 Ų | 140.3 | 65% | 0.645 | 80% | 0.797 | S | S | * | * | cis | -168.2 | 126 | -39.3 | 160.8 | 166 | -141.6 | 0 | 0 | 110.2 | ||||
| 412 | R | 31.5 | Very low | 34.8 | Very low | 219 Ų | 219 | 135.9 Ų | 135.9 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | -178.4 | 118.7 | 139.1 | -100.4 | -178.7 | -179.4 | -77 | -2.7 | 107.8 | ||||
| 413 | Q | 34.4 | Very low | 35.2 | Very low | 146 Ų | 146 | 138 Ų | 138 | 68% | 0.682 | 80% | 0.796 | S | S | * | * | 60.4 | 123.9 | 68.7 | -63.1 | -170.3 | 37 | 0 | 0 | 113.6 | |||||
| 414 | G | 30.4 | Very low | 35.1 | Very low | 80 Ų | 80 | 139.2 Ų | 139.2 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | cis | 144.3 | 145 | -7.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 415 | S | 27.1 | Very low | 35.2 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -152.7 | 125.1 | 167.3 | -162.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 416 | Q | 31.2 | Very low | 35.1 | Very low | 181 Ų | 181 | 141.5 Ų | 141.5 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | 10.3 | 143 | 166.6 | -55.2 | -55.7 | -19 | 0 | 0 | 123.9 | ||||
| 417 | R | 31.8 | Very low | 34.7 | Very low | 240 Ų | 240 | 142.1 Ų | 142.1 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | trans | -123.4 | 125.4 | 168.1 | 172.4 | -171.9 | 179.8 | -171.2 | 1.7 | 109 | ||||
| 418 | S | 33.6 | Very low | 34.3 | Very low | 113 Ų | 113 | 142 Ų | 142 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -99.2 | 151.5 | 174.8 | -58 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 419 | P | 40.9 | Very low | 34.1 | Very low | 112 Ų | 112 | 135 Ų | 135 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -109.2 | 157.9 | -177.6 | 39.2 | -32.8 | 0 | 0 | 0 | 114.9 | ||||
| 420 | S | 37 | Very low | 33.9 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | 69.3 | 161.7 | 155.9 | -67 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 421 | P | 42.1 | Very low | 33.9 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | cis | -122.9 | 167.8 | 21.2 | 41.9 | -28.5 | 0 | 0 | 0 | 117 | ||||
| 422 | G | 40.1 | Very low | 34.2 | Very low | 67 Ų | 67 | 131.5 Ų | 131.5 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | trans | -99.2 | 151.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 423 | P | 40.7 | Very low | 34.5 | Very low | 125 Ų | 125 | 126.1 Ų | 126.1 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -91.4 | 130.7 | -174.7 | 34 | -32.8 | 0 | 0 | 0 | 113.3 | ||||
| 424 | N | 31 | Very low | 34.5 | Very low | 163 Ų | 163 | 127 Ų | 127 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | trans | -147.1 | 106.4 | 163.7 | -101.3 | -16.4 | 0 | 0 | 0 | 108.7 | ||||
| 425 | H | 34.4 | Very low | 34.9 | Very low | 182 Ų | 182 | 128.1 Ų | 128.1 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | -159.4 | 170.9 | 141.3 | -145.1 | -115.4 | 0 | 0 | 0 | 112.8 | ||||
| 426 | V | 31.2 | Very low | 35.3 | Very low | 101 Ų | 101 | 127.5 Ų | 127.5 | 61% | 0.612 | 81% | 0.805 | S | S | * | * | trans | -102.9 | 169.4 | -162.5 | -51.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 427 | S | 27.2 | Very low | 35.9 | Very low | 126 Ų | 126 | 124.8 Ų | 124.8 | 88% | 0.881 | 81% | 0.806 | S | S | * | * | trans | -138.1 | 135.5 | 146.6 | -78.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 428 | S | 33.2 | Very low | 36.3 | Very low | 121 Ų | 121 | 117.9 Ų | 117.9 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | -91.2 | 147.8 | -174 | -57.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 429 | G | 29.7 | Very low | 36.9 | Very low | 80 Ų | 80 | 118.3 Ų | 118.3 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -138.2 | 130.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 430 | S | 40.7 | Very low | 37.4 | Very low | 103 Ų | 103 | 119.4 Ų | 119.4 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | trans | -95.7 | 149.2 | -167.5 | 58.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 431 | N | 33.9 | Very low | 37.5 | Very low | 151 Ų | 151 | 117.1 Ų | 117.1 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | -174.1 | 132.8 | 109.2 | -88.9 | -5.4 | 0 | 0 | 0 | 114.8 | |||||
| 432 | A | 35.8 | Very low | 37.4 | Very low | 88 Ų | 88 | 116.3 Ų | 116.3 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | 35.2 | 114.2 | 145.2 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 433 | S | 37.7 | Very low | 37.5 | Very low | 105 Ų | 105 | 118.4 Ų | 118.4 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | 92.2 | 132.9 | 115.7 | 71.6 | 0 | 0 | 0 | 0 | 123 | |||||
| 434 | N | 35.6 | Very low | 37.4 | Very low | 166 Ų | 166 | 117.3 Ų | 117.3 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | trans | 86.7 | 151 | 152.2 | -64.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 435 | A | 38.3 | Very low | 38.2 | Very low | 103 Ų | 103 | 115.5 Ų | 115.5 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -132.5 | 152.8 | -153.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 436 | A | 36.1 | Very low | 38.9 | Very low | 107 Ų | 107 | 117.5 Ų | 117.5 | 88% | 0.884 | 81% | 0.807 | S | S | * | * | trans | -157.4 | 151.7 | 151.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 437 | S | 42.9 | Very low | 39.5 | Very low | 124 Ų | 124 | 118.2 Ų | 118.2 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | trans | -101.5 | 139.2 | 179.7 | 47.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 438 | A | 39.9 | Very low | 40.6 | Very low | 95 Ų | 95 | 117.5 Ų | 117.5 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -148.6 | 150.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 439 | P | 47.4 | Very low | 41.5 | Very low | 121 Ų | 121 | 117.4 Ų | 117.4 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | trans | -81.8 | 164.2 | -173.8 | 33.4 | -36.4 | 0 | 0 | 0 | 113.8 | ||||
| 440 | P | 50.8 | Low | 43 | Very low | 136 Ų | 136 | 119.1 Ų | 119.1 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -76.1 | 130 | -175.7 | 30.4 | -35.2 | 0 | 0 | 0 | 112.9 | ||||
| 441 | G | 38 | Very low | 44.4 | Very low | 70 Ų | 70 | 117.8 Ų | 117.8 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | -167.9 | 151.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 442 | A | 40.2 | Very low | 46.5 | Very low | 108 Ų | 108 | 114.4 Ų | 114.4 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 65.6 | 142.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | A444 | A442-A444 PolarHBondContact O-N 3.12Š|
| 443 | S | 43.2 | Very low | 48.3 | Very low | 111 Ų | 111 | 115.3 Ų | 115.3 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | -56 | 124 | -174.9 | -52.1 | 0 | 0 | 0 | 0 | 114 | V445 | S443-V445 PolarHBondContact O-N 2.92Š| ||
| 444 | A | 38.9 | Very low | 50.1 | Low | 103 Ų | 103 | 115.5 Ų | 115.5 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | trans | -71.4 | 75.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | A442 R446 | A442-A444 PolarHBondContact O-N 3.12Å; A444-R446 PolarHBondContact O-N 3.38Å; A444-R446 VanDerWaalsContact O-N 3.12Å | ||
| 445 | V | 48 | Very low | 51.8 | Low | 125 Ų | 125 | 112.1 Ų | 112.1 | 76% | 0.758 | 75% | 0.752 | S | S | * | * | trans | -57.3 | 114.6 | 161 | 177.2 | 0 | 0 | 0 | 0 | 106.6 | S443 | S443-V445 PolarHBondContact O-N 2.92Š| ||
| 446 | R | 47.4 | Very low | 53.5 | Low | 223 Ų | 223 | 109.8 Ų | 109.8 | 84% | 0.842 | 73% | 0.732 | S | S | * | * | trans | -55.1 | 136.4 | 176.2 | -74.4 | -178.7 | 172.3 | 178.3 | -2.9 | 108.5 | A444 S448 | A444-R446 PolarHBondContact O-N 3.38Å; A444-R446 VanDerWaalsContact O-N 3.12Å; R446-S448 PolarHBondContact O-N 3.19Å | ||
| 447 | P | 43.8 | Very low | 55.5 | Low | 117 Ų | 117 | 109.7 Ų | 109.7 | 76% | 0.76 | 72% | 0.721 | S | S | * | * | trans | -59.6 | 114.9 | 173.2 | 25.5 | -33 | 0 | 0 | 0 | 108.3 | C449 | P447-C449 PolarHBondContact O-N 3.41Š| ||
| 448 | S | 50 | Low | 57.2 | Low | 111 Ų | 111 | 111.4 Ų | 111.4 | 78% | 0.776 | 72% | 0.715 | S | S | * | * | trans | -61.5 | 107.7 | 173.2 | -59.8 | 0 | 0 | 0 | 0 | 107.9 | R446 S450 | R446-S448 PolarHBondContact O-N 3.19Å; S448-S450 PolarHBondContact O-N 3.36Å | ||
| 449 | C | 52.7 | Low | 59.3 | Low | 118 Ų | 118 | 111.2 Ų | 111.2 | 80% | 0.797 | 70% | 0.696 | S | S | * | * | trans | -57.2 | 105.8 | 175.3 | -67.1 | 0 | 0 | 0 | 0 | 108.6 | P447 L451 | P447-C449 PolarHBondContact O-N 3.41Å; C449-L451 VanDerWaalsContact C-N 3.32Å; C449-L451 PolarHBondContact O-N 3.17Å | ||
| 450 | S | 60.6 | Low | 61.2 | Low | 116 Ų | 116 | 109.4 Ų | 109.4 | 81% | 0.811 | 68% | 0.68 | S | S | * | * | trans | -68.5 | 92.4 | 177.7 | 37.5 | 0 | 0 | 0 | 0 | 108.9 | S448 T452 | S448-S450 PolarHBondContact O-N 3.36Å; S450-T452 PolarHBondContact O-N 3.41Å | ||
| 451 | L | 70.3 | Confident | 63 | Low | 76 Ų | 76 | 107.6 Ų | 107.6 | 40% | 0.398 | 66% | 0.66 | S | S | . | * | trans | -48.7 | 129.6 | 167.6 | -71.9 | 134.4 | 0 | 0 | 0 | 108.2 | C449 L455 F459 | C449-L451 VanDerWaalsContact C-N 3.32Å; C449-L451 PolarHBondContact O-N 3.17Å; L451-L455 HydrophobicContact CB-CB 4.22Å; L451-L455 HydrophobicContact CD2-CB 3.79Å; L451-L455 HydrophobicContact CD2-CD1 4.48Å; L451-F459 HydrophobicContact CD1-CB 3.99Å; L451-F459 HydrophobicContact CD1-CD1 3.64Å; L451-F459 HydrophobicContact CD1-CD2 3.88Å; L451-F459 HydrophobicContact CD1-CE1 4.05Å; L451-F459 HydrophobicContact CD1-CE2 4.26Å; L451-F459 HydrophobicContact CD1-CG 3.55Å; L451-F459 HydrophobicContact CD1-CZ 4.34Å; L451-F459 HydrophobicContact CD2-CB 4.28Å; L451-F459 HydrophobicContact CD2-CD2 4.29Å; L451-F459 HydrophobicContact CD2-CG 4.37Å | ||
| 452 | T | 79.9 | Confident | 65.5 | Low | 79 Ų | 79 | 110 Ų | 110 | 49% | 0.485 | 66% | 0.656 | S | S | . | * | trans | -57.7 | 152.7 | 173.1 | 48.3 | 0 | 0 | 0 | 0 | 109.5 | S450 T454 L455 A456 | S450-T452 PolarHBondContact O-N 3.41Å; T452-T454 PolarHBondContact O-N 2.87Å; T452-L455 WeakPolarHBondContact O-CA 3.46Å; T452-L455 PolarHBondContact O-N 3.02Å; T452-A456 PolarHBondContact O-N 3.49Å | ||
| 453 | P | 72.2 | Confident | 67.9 | Low | 108 Ų | 108 | 109.6 Ų | 109.6 | 70% | 0.701 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -52.6 | -35.4 | -174.2 | -29.9 | 36.4 | 0 | 0 | 0 | 113.9 | L455 A456 | P453-L455 VanDerWaalsContact C-N 3.33Å; P453-L455 PolarHBondContact O-N 2.93Å; P453-A456 PolarHBondContact O-N 3.22Å |
| 454 | T | 76.3 | Confident | 70.2 | Confident | 109 Ų | 109 | 107.2 Ų | 107.2 | 67% | 0.669 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -71.7 | -18 | 176.8 | -25.3 | 0 | 0 | 0 | 0 | 114.8 | T452 T457 H458 | T452-T454 PolarHBondContact O-N 2.87Å; T454-T457 PolarHBondContact O-OG1 3.27Å; T454-T457 VanDerWaalsContact O-OG1 3.11Å; T454-H458 PolarHBondContact O-CD2 3.28Å |
| 455 | L | 70.8 | Confident | 72.7 | Confident | 95 Ų | 95 | 107.6 Ų | 107.6 | 50% | 0.497 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -95.3 | -30.3 | 172.9 | -70.8 | 176.1 | 0 | 0 | 0 | 111.9 | L451 T452 P453 T457 H458 F459 | L451-L455 HydrophobicContact CB-CB 4.22Å; L451-L455 HydrophobicContact CD2-CB 3.79Å; L451-L455 HydrophobicContact CD2-CD1 4.48Å; T452-L455 WeakPolarHBondContact O-CA 3.46Å; T452-L455 PolarHBondContact O-N 3.02Å; P453-L455 VanDerWaalsContact C-N 3.33Å; P453-L455 PolarHBondContact O-N 2.93Å; L455-T457 PolarHBondContact O-N 3.1Å; L455-H458 PolarHBondContact O-N 3.18Å; L455-F459 PolarHBondContact O-N 2.87Å |
| 456 | A | 74.8 | Confident | 74.8 | Confident | 53 Ų | 53 | 106.9 Ų | 106.9 | 44% | 0.438 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -58.8 | -34.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T452 P453 H458 F459 | T452-A456 PolarHBondContact O-N 3.49Å; P453-A456 PolarHBondContact O-N 3.22Å; A456-H458 PolarHBondContact O-N 2.7Å; A456-F459 PolarHBondContact O-N 3.42Å |
| 457 | T | 77 | Confident | 76.8 | Confident | 105 Ų | 105 | 100.7 Ų | 100.7 | 64% | 0.644 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -19.5 | 174 | 49 | 0 | 0 | 0 | 0 | 114.6 | T454 L455 | T454-T457 PolarHBondContact O-OG1 3.27Å; T454-T457 VanDerWaalsContact O-OG1 3.11Å; L455-T457 PolarHBondContact O-N 3.1Å |
| 458 | H | 78.4 | Confident | 78.9 | Confident | 161 Ų | 161 | 102.6 Ų | 102.6 | 75% | 0.745 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | -3.4 | 177.7 | -61.7 | -69.1 | 0 | 0 | 0 | 113.1 | T454 L455 A456 | T454-H458 PolarHBondContact O-CD2 3.28Å; L455-H458 PolarHBondContact O-N 3.18Å; A456-H458 PolarHBondContact O-N 2.7Å |
| 459 | F | 83.9 | Confident | 80.7 | Confident | 90 Ų | 90 | 100.2 Ų | 100.2 | 40% | 0.395 | 57% | 0.565 | S | S | . | * | trans | -99.2 | 98.4 | -177.7 | -176 | -96.9 | 0 | 0 | 0 | 111.5 | L451 L455 A456 E461 I464 | L451-F459 HydrophobicContact CD1-CB 3.99Å; L451-F459 HydrophobicContact CD1-CD1 3.64Å; L451-F459 HydrophobicContact CD1-CD2 3.88Å; L451-F459 HydrophobicContact CD1-CE1 4.05Å; L451-F459 HydrophobicContact CD1-CE2 4.26Å; L451-F459 HydrophobicContact CD1-CG 3.55Å; L451-F459 HydrophobicContact CD1-CZ 4.34Å; L451-F459 HydrophobicContact CD2-CB 4.28Å; L451-F459 HydrophobicContact CD2-CD2 4.29Å; L451-F459 HydrophobicContact CD2-CG 4.37Å; L455-F459 PolarHBondContact O-N 2.87Å; A456-F459 PolarHBondContact O-N 3.42Å; F459-E461 HydrophobicContact CE1-CB 3.77Å; F459-E461 HydrophobicContact CE1-CG 3.98Å; F459-E461 HydrophobicContact CZ-CB 4.24Å; F459-E461 HydrophobicContact CZ-CG 4.07Å; F459-I464 HydrophobicContact CD2-CD1 3.7Å; F459-I464 HydrophobicContact CE2-CD1 3.4Å; F459-I464 VanDerWaalsContact CE2-CD1 3.4Å; F459-I464 HydrophobicContact CZ-CD1 4.03Å | ||
| 460 | N | 88.6 | Confident | 82.4 | Confident | 84 Ų | 84 | 101.6 Ų | 101.6 | 45% | 0.449 | 55% | 0.554 | S | S | . | * | trans | -104.1 | 97.2 | 171.7 | -173.8 | -23.8 | 0 | 0 | 0 | 110.5 | N462 L463 I464 | N460-N462 PolarHBondContact O-N 3.45Å; N460-N462 WeakPolarHBondContact OD1-CB 3.46Å; N460-N462 PolarHBondContact OD1-N 3.42Å; N460-N462 VanDerWaalsContact OD1-N 3.11Å; N460-L463 HydrophobicContact CB-CB 4Å; N460-L463 PolarHBondContact O-N 3.26Å; N460-L463 VanDerWaalsContact O-N 3.16Å; N460-L463 PolarHBondContact OD1-N 3.42Å; N460-L463 VanDerWaalsContact OD1-N 3.14Å; N460-I464 WeakPolarHBondContact O-CG1 3.43Å; N460-I464 PolarHBondContact O-N 2.94Å | ||
| 461 | E | 88.1 | Confident | 83.7 | Confident | 98 Ų | 98 | 100.1 Ų | 100.1 | 46% | 0.458 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.4 | -30.2 | -177.9 | -154.5 | -171.4 | 145.7 | 0 | 0 | 113.2 | F459 I464 K465 | F459-E461 HydrophobicContact CE1-CB 3.77Å; F459-E461 HydrophobicContact CE1-CG 3.98Å; F459-E461 HydrophobicContact CZ-CB 4.24Å; F459-E461 HydrophobicContact CZ-CG 4.07Å; E461-I464 PolarHBondContact O-N 3.08Å; E461-K465 WeakPolarHBondContact O-CB 3.31Å; E461-K465 VanDerWaalsContact O-CG 3.29Å; E461-K465 WeakPolarHBondContact O-CG 3.22Å; E461-K465 PolarHBondContact O-N 3.49Å; E461-K465 WeakPolarHBondContact OE1-CE 3.37Å; E461-K465 IonicContact OE1-NZ 2.62Å; E461-K465 PolarHBondContact OE1-NZ 2.87Å |
| 462 | N | 90.1 | Very high | 84.6 | Confident | 120 Ų | 120 | 98.7 Ų | 98.7 | 64% | 0.642 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -71.8 | -40.3 | 177.6 | -61.7 | -58.2 | 0 | 0 | 0 | 111.5 | N460 K465 H466 | N460-N462 PolarHBondContact O-N 3.45Å; N460-N462 WeakPolarHBondContact OD1-CB 3.46Å; N460-N462 PolarHBondContact OD1-N 3.42Å; N460-N462 VanDerWaalsContact OD1-N 3.11Å; N462-K465 PolarHBondContact O-N 2.96Å; N462-H466 VanDerWaalsContact O-CB 3.3Å; N462-H466 WeakPolarHBondContact O-CB 3.43Å; N462-H466 PolarHBondContact O-N 2.86Å |
| 463 | L | 91.7 | Very high | 85.2 | Confident | 99 Ų | 99 | 100.1 Ų | 100.1 | 52% | 0.518 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 173.2 | -179.5 | 61.1 | 0 | 0 | 0 | 111 | N460 H466 V467 | N460-L463 HydrophobicContact CB-CB 4Å; N460-L463 PolarHBondContact O-N 3.26Å; N460-L463 VanDerWaalsContact O-N 3.16Å; N460-L463 PolarHBondContact OD1-N 3.42Å; N460-L463 VanDerWaalsContact OD1-N 3.14Å; L463-H466 PolarHBondContact O-N 3.24Å; L463-V467 HydrophobicContact CD1-CG2 4.11Å; L463-V467 HydrophobicContact CG-CG2 4.49Å; L463-V467 WeakPolarHBondContact O-CG2 3.42Å; L463-V467 PolarHBondContact O-N 3.17Å |
| 464 | I | 90 | Very high | 86.3 | Confident | 62 Ų | 62 | 100.4 Ų | 100.4 | 32% | 0.318 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61 | -48.9 | 177.1 | -67.3 | 165.4 | 0 | 0 | 0 | 110.6 | F459 N460 E461 H466 V467 Q468 | F459-I464 HydrophobicContact CD2-CD1 3.7Å; F459-I464 HydrophobicContact CE2-CD1 3.4Å; F459-I464 VanDerWaalsContact CE2-CD1 3.4Å; F459-I464 HydrophobicContact CZ-CD1 4.03Å; N460-I464 WeakPolarHBondContact O-CG1 3.43Å; N460-I464 PolarHBondContact O-N 2.94Å; E461-I464 PolarHBondContact O-N 3.08Å; I464-H466 VanDerWaalsContact C-N 3.33Å; I464-H466 PolarHBondContact O-N 2.89Å; I464-V467 PolarHBondContact O-N 3.11Å; I464-Q468 HydrophobicContact CG2-CG 4.42Å; I464-Q468 WeakPolarHBondContact O-CB 3.24Å; I464-Q468 VanDerWaalsContact O-CG 3.25Å; I464-Q468 WeakPolarHBondContact O-CG 3.41Å; I464-Q468 PolarHBondContact O-N 3.37Å |
| 465 | K | 91.6 | Very high | 87.1 | Confident | 111 Ų | 111 | 98 Ų | 98 | 48% | 0.483 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.9 | -39.5 | 175.6 | -73.8 | 168.2 | -176.4 | 166.4 | 0 | 112.5 | E461 N462 G469 | E461-K465 WeakPolarHBondContact O-CB 3.31Å; E461-K465 VanDerWaalsContact O-CG 3.29Å; E461-K465 WeakPolarHBondContact O-CG 3.22Å; E461-K465 PolarHBondContact O-N 3.49Å; E461-K465 WeakPolarHBondContact OE1-CE 3.37Å; E461-K465 IonicContact OE1-NZ 2.62Å; E461-K465 PolarHBondContact OE1-NZ 2.87Å; N462-K465 PolarHBondContact O-N 2.96Å; K465-G469 PolarHBondContact O-N 3.17Å |
| 466 | H | 92 | Very high | 88.2 | Confident | 110 Ų | 110 | 99.7 Ų | 99.7 | 51% | 0.509 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.8 | -43.6 | 178.3 | -179.5 | 58.2 | 0 | 0 | 0 | 112.5 | N462 L463 I464 G469 W470 | N462-H466 VanDerWaalsContact O-CB 3.3Å; N462-H466 WeakPolarHBondContact O-CB 3.43Å; N462-H466 PolarHBondContact O-N 2.86Å; L463-H466 PolarHBondContact O-N 3.24Å; I464-H466 VanDerWaalsContact C-N 3.33Å; I464-H466 PolarHBondContact O-N 2.89Å; H466-G469 CarbonylContact O-C 3.6Å; H466-G469 PolarHBondContact O-N 3.04Å; H466-W470 AromaticContact CE1-CE3 3.94Å; H466-W470 AromaticContact NE2-CE3 3.5Å; H466-W470 AromaticContact NE2-CZ3 3.38Å; H466-W470 WeakPolarHBondContact NE2-CZ3 3.28Å; H466-W470 PolarHBondContact O-N 3.42Å |
| 467 | V | 90.2 | Very high | 89.3 | Confident | 93 Ų | 93 | 103.3 Ų | 103.3 | 56% | 0.564 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.4 | -39.6 | 176.6 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | L463 I464 G469 W470 | L463-V467 HydrophobicContact CD1-CG2 4.11Å; L463-V467 HydrophobicContact CG-CG2 4.49Å; L463-V467 WeakPolarHBondContact O-CG2 3.42Å; L463-V467 PolarHBondContact O-N 3.17Å; I464-V467 PolarHBondContact O-N 3.11Å; V467-G469 VanDerWaalsContact C-N 3.31Å; V467-G469 PolarHBondContact O-N 3.46Å; V467-W470 WeakPolarHBondContact O-CB 3.45Å; V467-W470 PolarHBondContact O-N 3.42Å |
| 468 | Q | 87.8 | Confident | 90.3 | Very high | 157 Ų | 157 | 101.8 Ų | 101.8 | 73% | 0.734 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.4 | -27.6 | 174.9 | -72.9 | 174 | -9.5 | 0 | 0 | 113.4 | I464 | I464-Q468 HydrophobicContact CG2-CG 4.42Å; I464-Q468 WeakPolarHBondContact O-CB 3.24Å; I464-Q468 VanDerWaalsContact O-CG 3.25Å; I464-Q468 WeakPolarHBondContact O-CG 3.41Å; I464-Q468 PolarHBondContact O-N 3.37Å |
| 469 | G | 87.2 | Confident | 91.1 | Very high | 60 Ų | 60 | 96.6 Ų | 96.6 | 62% | 0.619 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 4.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | K465 H466 V467 | K465-G469 PolarHBondContact O-N 3.17Å; H466-G469 CarbonylContact O-C 3.6Å; H466-G469 PolarHBondContact O-N 3.04Å; V467-G469 VanDerWaalsContact C-N 3.31Å; V467-G469 PolarHBondContact O-N 3.46Å |
| 470 | W | 89.6 | Confident | 91.8 | Very high | 148 Ų | 148 | 94.7 Ų | 94.7 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | trans | -72.1 | 126.9 | -178.6 | -169 | -71.7 | 0 | 0 | 0 | 109.7 | H466 V467 A472 | H466-W470 AromaticContact CE1-CE3 3.94Å; H466-W470 AromaticContact NE2-CE3 3.5Å; H466-W470 AromaticContact NE2-CZ3 3.38Å; H466-W470 WeakPolarHBondContact NE2-CZ3 3.28Å; H466-W470 PolarHBondContact O-N 3.42Å; V467-W470 WeakPolarHBondContact O-CB 3.45Å; V467-W470 PolarHBondContact O-N 3.42Å; W470-A472 PolarHBondContact O-N 3.2Å | ||
| 471 | P | 87.3 | Confident | 92.2 | Very high | 85 Ų | 85 | 98.5 Ų | 98.5 | 55% | 0.552 | 51% | 0.512 | S | S | * | . | trans | -78.8 | 51.9 | -174.1 | 33.4 | -37.4 | 0 | 0 | 0 | 112.7 | E473 H474 A475 | P471-E473 VanDerWaalsContact C-N 3.33Å; P471-E473 PolarHBondContact O-N 3.31Å; P471-H474 PolarHBondContact O-N 3.19Å; P471-A475 PolarHBondContact O-N 2.96Å | ||
| 472 | A | 90.3 | Very high | 92.7 | Very high | 45 Ų | 45 | 99 Ų | 99 | 37% | 0.372 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.8 | -40.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | W470 H474 A475 E476 | W470-A472 PolarHBondContact O-N 3.2Å; A472-H474 VanDerWaalsContact C-N 3.25Å; A472-H474 PolarHBondContact O-N 3.35Å; A472-A475 PolarHBondContact O-N 3.47Å; A472-E476 WeakPolarHBondContact O-CB 3.3Å; A472-E476 PolarHBondContact O-N 2.89Å |
| 473 | E | 92.2 | Very high | 93.1 | Very high | 109 Ų | 109 | 101 Ų | 101 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68 | -26 | -178.6 | -51.3 | 76.7 | -173.3 | 0 | 0 | 111.9 | P471 K477 | P471-E473 VanDerWaalsContact C-N 3.33Å; P471-E473 PolarHBondContact O-N 3.31Å; E473-K477 VanDerWaalsContact O-CB 3.32Å; E473-K477 WeakPolarHBondContact O-CB 3.43Å; E473-K477 WeakPolarHBondContact O-CD 3.22Å; E473-K477 WeakPolarHBondContact O-CE 3.43Å; E473-K477 WeakPolarHBondContact O-CG 3.16Å; E473-K477 PolarHBondContact O-N 2.96Å |
| 474 | H | 94 | Very high | 93.4 | Very high | 115 Ų | 115 | 103.2 Ų | 103.2 | 53% | 0.532 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -75.4 | -47 | 172 | -175.3 | -100.6 | 0 | 0 | 0 | 110.4 | P471 A472 E476 K477 Q478 | P471-H474 PolarHBondContact O-N 3.19Å; A472-H474 VanDerWaalsContact C-N 3.25Å; A472-H474 PolarHBondContact O-N 3.35Å; H474-E476 VanDerWaalsContact C-N 3.33Å; H474-E476 PolarHBondContact O-N 3.08Å; H474-K477 PolarHBondContact O-N 3.3Å; H474-Q478 PolarHBondContact CE1-NE2 3.01Å; H474-Q478 PolarHBondContact NE2-NE2 3.42Å; H474-Q478 WeakPolarHBondContact O-CG 3.31Å; H474-Q478 PolarHBondContact O-N 3.13Å |
| 475 | A | 93.3 | Very high | 93.7 | Very high | 57 Ų | 57 | 106 Ų | 106 | 47% | 0.471 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59 | -43.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | P471 A472 Q478 A479 | P471-A475 PolarHBondContact O-N 2.96Å; A472-A475 PolarHBondContact O-N 3.47Å; A475-Q478 PolarHBondContact O-N 2.97Å; A475-A479 WeakPolarHBondContact O-CB 3.43Å; A475-A479 PolarHBondContact O-N 2.77Å |
| 476 | E | 95.1 | Very high | 94 | Very high | 131 Ų | 131 | 103.3 Ų | 103.3 | 61% | 0.612 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.3 | -42 | 176.6 | -174.8 | 179.9 | -155.7 | 0 | 0 | 112.3 | A472 H474 A479 S480 | A472-E476 WeakPolarHBondContact O-CB 3.3Å; A472-E476 PolarHBondContact O-N 2.89Å; H474-E476 VanDerWaalsContact C-N 3.33Å; H474-E476 PolarHBondContact O-N 3.08Å; E476-A479 PolarHBondContact O-N 3.24Å; E476-S480 VanDerWaalsContact O-CB 3.26Å; E476-S480 WeakPolarHBondContact O-CB 3.48Å; E476-S480 PolarHBondContact O-N 3.45Å; E476-S480 PolarHBondContact O-OG 3.35Å |
| 477 | K | 96.9 | Very high | 94.3 | Very high | 129 Ų | 129 | 104.8 Ų | 104.8 | 56% | 0.561 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.8 | -40.3 | 175.4 | -75.9 | 164.4 | -163 | 158 | 0 | 112 | E473 H474 R481 | E473-K477 VanDerWaalsContact O-CB 3.32Å; E473-K477 WeakPolarHBondContact O-CB 3.43Å; E473-K477 WeakPolarHBondContact O-CD 3.22Å; E473-K477 WeakPolarHBondContact O-CE 3.43Å; E473-K477 WeakPolarHBondContact O-CG 3.16Å; E473-K477 PolarHBondContact O-N 2.96Å; H474-K477 PolarHBondContact O-N 3.3Å; K477-R481 VanDerWaalsContact O-CG 3.31Å; K477-R481 WeakPolarHBondContact O-CG 3.41Å; K477-R481 PolarHBondContact O-N 3.05Å |
| 478 | Q | 97.3 | Very high | 94.7 | Very high | 74 Ų | 74 | 103.5 Ų | 103.5 | 35% | 0.346 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.4 | -43.5 | 175.8 | -61.2 | -61.1 | -4.5 | 0 | 0 | 111.6 | H474 A475 S480 R481 L482 | H474-Q478 PolarHBondContact CE1-NE2 3.01Å; H474-Q478 PolarHBondContact NE2-NE2 3.42Å; H474-Q478 WeakPolarHBondContact O-CG 3.31Å; H474-Q478 PolarHBondContact O-N 3.13Å; A475-Q478 PolarHBondContact O-N 2.97Å; Q478-S480 VanDerWaalsContact C-N 3.29Å; Q478-S480 PolarHBondContact O-N 3.13Å; Q478-R481 PolarHBondContact O-N 3.36Å; Q478-L482 WeakPolarHBondContact O-CB 3.27Å; Q478-L482 WeakPolarHBondContact O-CG 3.36Å; Q478-L482 PolarHBondContact O-N 3.32Å |
| 479 | A | 97 | Very high | 95.2 | Very high | 51 Ų | 51 | 102.1 Ų | 102.1 | 42% | 0.421 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.2 | -35.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A475 E476 R483 | A475-A479 WeakPolarHBondContact O-CB 3.43Å; A475-A479 PolarHBondContact O-N 2.77Å; E476-A479 PolarHBondContact O-N 3.24Å; A479-R483 VanDerWaalsContact O-CB 3.32Å; A479-R483 WeakPolarHBondContact O-CB 3.27Å; A479-R483 PolarHBondContact O-N 2.89Å |
| 480 | S | 97.6 | Very high | 95.7 | Very high | 51 Ų | 51 | 101.2 Ų | 101.2 | 36% | 0.357 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.4 | -42.3 | 175.5 | -60 | 0 | 0 | 0 | 0 | 112 | E476 Q478 R483 E484 | E476-S480 VanDerWaalsContact O-CB 3.26Å; E476-S480 WeakPolarHBondContact O-CB 3.48Å; E476-S480 PolarHBondContact O-N 3.45Å; E476-S480 PolarHBondContact O-OG 3.35Å; Q478-S480 VanDerWaalsContact C-N 3.29Å; Q478-S480 PolarHBondContact O-N 3.13Å; S480-R483 WeakPolarHBondContact O-CB 3.5Å; S480-R483 PolarHBondContact O-N 2.89Å; S480-E484 PolarHBondContact O-N 2.91Å |
| 481 | R | 98.1 | Very high | 96.1 | Very high | 163 Ų | 163 | 98.2 Ų | 98.2 | 62% | 0.615 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.3 | -49.9 | 173.5 | -76.4 | 173.6 | 175 | -155.9 | -3.2 | 112.1 | K477 Q478 R483 E484 E485 | K477-R481 VanDerWaalsContact O-CG 3.31Å; K477-R481 WeakPolarHBondContact O-CG 3.41Å; K477-R481 PolarHBondContact O-N 3.05Å; Q478-R481 PolarHBondContact O-N 3.36Å; R481-R483 PolarHBondContact O-N 3.06Å; R481-E484 PolarHBondContact O-N 3.4Å; R481-E484 VanDerWaalsContact O-N 3.14Å; R481-E485 VanDerWaalsContact O-CB 3.31Å; R481-E485 WeakPolarHBondContact O-CB 3.43Å; R481-E485 PolarHBondContact O-N 3.32Å |
| 482 | L | 97.8 | Very high | 96.6 | Very high | 109 Ų | 109 | 98.4 Ų | 98.4 | 57% | 0.571 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.8 | -33.2 | 178.3 | -70.1 | 169.7 | 0 | 0 | 0 | 112.1 | Q478 A486 | Q478-L482 WeakPolarHBondContact O-CB 3.27Å; Q478-L482 WeakPolarHBondContact O-CG 3.36Å; Q478-L482 PolarHBondContact O-N 3.32Å; L482-A486 WeakPolarHBondContact O-CB 3.46Å; L482-A486 PolarHBondContact O-N 3.36Å |
| 483 | R | 97.8 | Very high | 97 | Very high | 162 Ų | 162 | 99.1 Ų | 99.1 | 61% | 0.611 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.3 | -49.7 | 172 | -177 | -172.2 | -59.7 | 159.4 | 3.3 | 111.4 | A479 S480 R481 A486 H487 | A479-R483 VanDerWaalsContact O-CB 3.32Å; A479-R483 WeakPolarHBondContact O-CB 3.27Å; A479-R483 PolarHBondContact O-N 2.89Å; S480-R483 WeakPolarHBondContact O-CB 3.5Å; S480-R483 PolarHBondContact O-N 2.89Å; R481-R483 PolarHBondContact O-N 3.06Å; R483-A486 PolarHBondContact O-N 2.84Å; R483-H487 PolarHBondContact O-CD2 3.17Å; R483-H487 PolarHBondContact O-N 3.48Å |
| 484 | E | 97.9 | Very high | 97.3 | Very high | 145 Ų | 145 | 99.8 Ų | 99.8 | 68% | 0.678 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.9 | -42.8 | 178.9 | -175.1 | 169.2 | -144.4 | 0 | 0 | 111.9 | S480 R481 H487 S488 | S480-E484 PolarHBondContact O-N 2.91Å; R481-E484 PolarHBondContact O-N 3.4Å; R481-E484 VanDerWaalsContact O-N 3.14Å; E484-H487 PolarHBondContact O-N 2.88Å; E484-S488 WeakPolarHBondContact O-CB 3.35Å; E484-S488 PolarHBondContact O-N 2.94Å |
| 485 | E | 97.7 | Very high | 97.5 | Very high | 122 Ų | 122 | 97.8 Ų | 97.8 | 57% | 0.57 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.8 | -46.9 | 174.3 | -175.9 | 174.4 | -167.2 | 0 | 0 | 111.8 | R481 H487 S488 M489 | R481-E485 VanDerWaalsContact O-CB 3.31Å; R481-E485 WeakPolarHBondContact O-CB 3.43Å; R481-E485 PolarHBondContact O-N 3.32Å; E485-H487 PolarHBondContact O-N 3.49Å; E485-S488 PolarHBondContact O-N 2.9Å; E485-M489 WeakPolarHBondContact O-CB 3.39Å; E485-M489 PolarHBondContact O-N 2.87Å |
| 486 | A | 98 | Very high | 97.7 | Very high | 53 Ų | 53 | 100.5 Ų | 100.5 | 44% | 0.438 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.1 | -39.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L482 R483 G490 | L482-A486 WeakPolarHBondContact O-CB 3.46Å; L482-A486 PolarHBondContact O-N 3.36Å; R483-A486 PolarHBondContact O-N 2.84Å; A486-G490 PolarHBondContact O-N 2.89Å |
| 487 | H | 98.1 | Very high | 97.9 | Very high | 142 Ų | 142 | 98.4 Ų | 98.4 | 66% | 0.657 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.5 | -41.2 | 173.2 | -83.8 | -72.6 | 0 | 0 | 0 | 112.3 | R483 E484 E485 S491 | R483-H487 PolarHBondContact O-CD2 3.17Å; R483-H487 PolarHBondContact O-N 3.48Å; E484-H487 PolarHBondContact O-N 2.88Å; E485-H487 PolarHBondContact O-N 3.49Å; H487-S491 WeakPolarHBondContact O-CB 3.41Å; H487-S491 PolarHBondContact O-N 3.48Å |
| 488 | S | 98.1 | Very high | 98 | Very high | 65 Ų | 65 | 95 Ų | 95 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.3 | -53.3 | 177.5 | -173.7 | 0 | 0 | 0 | 0 | 111.5 | E484 E485 G490 S491 I492 | E484-S488 WeakPolarHBondContact O-CB 3.35Å; E484-S488 PolarHBondContact O-N 2.94Å; E485-S488 PolarHBondContact O-N 2.9Å; S488-G490 VanDerWaalsContact C-N 3.34Å; S488-G490 PolarHBondContact O-N 2.98Å; S488-S491 WeakPolarHBondContact O-CB 3.46Å; S488-S491 PolarHBondContact O-N 3.05Å; S488-S491 VanDerWaalsContact O-N 3.12Å; S488-I492 WeakPolarHBondContact O-CG1 3.47Å; S488-I492 PolarHBondContact O-N 3.45Å |
| 489 | M | 98 | Very high | 98 | Very high | 129 Ų | 129 | 95.5 Ų | 95.5 | 64% | 0.635 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58 | -43.4 | 176.1 | 178.3 | 175.8 | 57.4 | 0 | 0 | 112 | E485 S491 I492 C493 | E485-M489 WeakPolarHBondContact O-CB 3.39Å; E485-M489 PolarHBondContact O-N 2.87Å; M489-S491 VanDerWaalsContact C-N 3.34Å; M489-S491 PolarHBondContact O-N 3.39Å; M489-I492 PolarHBondContact O-N 2.85Å; M489-C493 VanDerWaalsContact O-CB 3.31Å; M489-C493 WeakPolarHBondContact O-CB 3.45Å; M489-C493 PolarHBondContact O-N 3Å |
| 490 | G | 98.3 | Very high | 98.1 | Very high | 41 Ų | 41 | 98.5 Ų | 98.5 | 42% | 0.423 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A486 S488 M494 | A486-G490 PolarHBondContact O-N 2.89Å; S488-G490 VanDerWaalsContact C-N 3.34Å; S488-G490 PolarHBondContact O-N 2.98Å; G490-M494 VanDerWaalsContact O-CB 3.22Å; G490-M494 WeakPolarHBondContact O-CB 3.43Å; G490-M494 PolarHBondContact O-N 3.19Å |
| 491 | S | 97.9 | Very high | 98.2 | Very high | 85 Ų | 85 | 100.2 Ų | 100.2 | 59% | 0.594 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.5 | -45.3 | 175.8 | -170.6 | 0 | 0 | 0 | 0 | 112.1 | H487 S488 M489 M494 S495 | H487-S491 WeakPolarHBondContact O-CB 3.41Å; H487-S491 PolarHBondContact O-N 3.48Å; S488-S491 WeakPolarHBondContact O-CB 3.46Å; S488-S491 PolarHBondContact O-N 3.05Å; S488-S491 VanDerWaalsContact O-N 3.12Å; M489-S491 VanDerWaalsContact C-N 3.34Å; M489-S491 PolarHBondContact O-N 3.39Å; S491-M494 PolarHBondContact O-N 2.98Å; S491-S495 WeakPolarHBondContact O-CB 3.46Å; S491-S495 PolarHBondContact O-N 3.28Å |
| 492 | I | 98 | Very high | 98.2 | Very high | 89 Ų | 89 | 99.1 Ų | 99.1 | 46% | 0.456 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.9 | -55.1 | 177.4 | -66.9 | 163.7 | 0 | 0 | 0 | 110.1 | S488 M489 M494 S495 E496 | S488-I492 WeakPolarHBondContact O-CG1 3.47Å; S488-I492 PolarHBondContact O-N 3.45Å; M489-I492 PolarHBondContact O-N 2.85Å; I492-M494 VanDerWaalsContact C-N 3.3Å; I492-M494 PolarHBondContact O-N 3.18Å; I492-S495 WeakPolarHBondContact O-CA 3.27Å; I492-S495 VanDerWaalsContact O-CB 3.28Å; I492-S495 WeakPolarHBondContact O-CB 3.37Å; I492-S495 PolarHBondContact O-N 2.67Å; I492-E496 HydrophobicContact CG2-CG 4.46Å; I492-E496 WeakPolarHBondContact O-CG 3.31Å; I492-E496 PolarHBondContact O-N 3.35Å |
| 493 | C | 98.3 | Very high | 98.2 | Very high | 60 Ų | 60 | 99.1 Ų | 99.1 | 41% | 0.405 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.3 | -39 | -180 | 177.9 | 0 | 0 | 0 | 0 | 112.3 | M489 S495 E496 N497 | M489-C493 VanDerWaalsContact O-CB 3.31Å; M489-C493 WeakPolarHBondContact O-CB 3.45Å; M489-C493 PolarHBondContact O-N 3Å; C493-S495 PolarHBondContact O-N 3.49Å; C493-E496 PolarHBondContact O-N 3.39Å; C493-N497 WeakPolarHBondContact O-CB 3.46Å; C493-N497 PolarHBondContact O-N 3.18Å; C493-N497 PolarHBondContact O-ND2 3.01Å; C493-N497 PolarHBondContact SG-ND2 2.78Å; C493-N497 VanDerWaalsContact SG-ND2 3.44Å |
| 494 | M | 98.1 | Very high | 98.3 | Very high | 122 Ų | 122 | 95.2 Ų | 95.2 | 60% | 0.601 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.2 | -37.7 | 174.5 | -173.3 | 58.3 | 58.2 | 0 | 0 | 112.3 | G490 S491 I492 C498 | G490-M494 VanDerWaalsContact O-CB 3.22Å; G490-M494 WeakPolarHBondContact O-CB 3.43Å; G490-M494 PolarHBondContact O-N 3.19Å; S491-M494 PolarHBondContact O-N 2.98Å; I492-M494 VanDerWaalsContact C-N 3.3Å; I492-M494 PolarHBondContact O-N 3.18Å; M494-C498 VanDerWaalsContact O-CB 3.29Å; M494-C498 WeakPolarHBondContact O-CB 3.41Å; M494-C498 PolarHBondContact O-N 3.48Å; M494-C498 PolarHBondContact O-SG 3.35Å |
| 495 | S | 98.4 | Very high | 98.3 | Very high | 73 Ų | 73 | 95.5 Ų | 95.5 | 51% | 0.51 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.9 | -45.6 | 175.4 | -167.4 | 0 | 0 | 0 | 0 | 111.8 | S491 I492 C493 C498 T499 | S491-S495 WeakPolarHBondContact O-CB 3.46Å; S491-S495 PolarHBondContact O-N 3.28Å; I492-S495 WeakPolarHBondContact O-CA 3.27Å; I492-S495 VanDerWaalsContact O-CB 3.28Å; I492-S495 WeakPolarHBondContact O-CB 3.37Å; I492-S495 PolarHBondContact O-N 2.67Å; C493-S495 PolarHBondContact O-N 3.49Å; S495-C498 CarbonylContact O-C 3.59Å; S495-C498 WeakPolarHBondContact O-CA 3.26Å; S495-C498 WeakPolarHBondContact O-CB 3.21Å; S495-C498 PolarHBondContact O-N 3.17Å; S495-C498 VanDerWaalsContact O-N 3.1Å; S495-T499 PolarHBondContact O-N 2.95Å; S495-T499 PolarHBondContact O-OG1 3.17Å |
| 496 | E | 98.1 | Very high | 98.3 | Very high | 114 Ų | 114 | 93 Ų | 93 | 53% | 0.533 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.6 | -48.5 | 178.1 | -68.5 | 167.8 | 156.3 | 0 | 0 | 111.8 | I492 C493 C498 T499 E500 | I492-E496 HydrophobicContact CG2-CG 4.46Å; I492-E496 WeakPolarHBondContact O-CG 3.31Å; I492-E496 PolarHBondContact O-N 3.35Å; C493-E496 PolarHBondContact O-N 3.39Å; E496-C498 PolarHBondContact O-N 3.17Å; E496-T499 PolarHBondContact O-N 3.4Å; E496-T499 VanDerWaalsContact O-N 3.11Å; E496-T499 PolarHBondContact O-OG1 3.31Å; E496-E500 PolarHBondContact O-N 3.46Å |
| 497 | N | 98.3 | Very high | 98.4 | Very high | 87 Ų | 87 | 95.2 Ų | 95.2 | 47% | 0.465 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.2 | -36.6 | 172 | -82.7 | -91.3 | 0 | 0 | 0 | 111.5 | C493 L501 | C493-N497 WeakPolarHBondContact O-CB 3.46Å; C493-N497 PolarHBondContact O-N 3.18Å; C493-N497 PolarHBondContact O-ND2 3.01Å; C493-N497 PolarHBondContact SG-ND2 2.78Å; C493-N497 VanDerWaalsContact SG-ND2 3.44Å; N497-L501 WeakPolarHBondContact O-CB 3.46Å; N497-L501 PolarHBondContact O-N 3.47Å |
| 498 | C | 98.4 | Very high | 98.4 | Very high | 58 Ų | 58 | 92.4 Ų | 92.4 | 39% | 0.392 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73.6 | -27 | 177.8 | -76.2 | 0 | 0 | 0 | 0 | 114.3 | M494 S495 E496 K502 | M494-C498 VanDerWaalsContact O-CB 3.29Å; M494-C498 WeakPolarHBondContact O-CB 3.41Å; M494-C498 PolarHBondContact O-N 3.48Å; M494-C498 PolarHBondContact O-SG 3.35Å; S495-C498 CarbonylContact O-C 3.59Å; S495-C498 WeakPolarHBondContact O-CA 3.26Å; S495-C498 WeakPolarHBondContact O-CB 3.21Å; S495-C498 PolarHBondContact O-N 3.17Å; S495-C498 VanDerWaalsContact O-N 3.1Å; E496-C498 PolarHBondContact O-N 3.17Å; C498-K502 VanDerWaalsContact O-CD 3.25Å; C498-K502 WeakPolarHBondContact O-CD 3.26Å; C498-K502 WeakPolarHBondContact O-CG 3.41Å |
| 499 | T | 98.6 | Very high | 98.4 | Very high | 84 Ų | 84 | 95.9 Ų | 95.9 | 52% | 0.515 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -82.9 | -44 | 174.7 | 54.6 | 0 | 0 | 0 | 0 | 111.1 | S495 E496 L501 K502 N503 | S495-T499 PolarHBondContact O-N 2.95Å; S495-T499 PolarHBondContact O-OG1 3.17Å; E496-T499 PolarHBondContact O-N 3.4Å; E496-T499 VanDerWaalsContact O-N 3.11Å; E496-T499 PolarHBondContact O-OG1 3.31Å; T499-L501 PolarHBondContact O-N 3.02Å; T499-K502 WeakPolarHBondContact O-CB 3.39Å; T499-K502 PolarHBondContact O-N 3.27Å; T499-K502 VanDerWaalsContact O-N 3.13Å; T499-N503 PolarHBondContact O-N 3.48Å |
| 500 | E | 98.4 | Very high | 98.5 | Very high | 114 Ų | 114 | 93.6 Ų | 93.6 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.4 | -48.1 | 174.6 | -176.3 | 174.8 | -150.5 | 0 | 0 | 111.2 | E496 K502 N503 L504 | E496-E500 PolarHBondContact O-N 3.46Å; E500-K502 PolarHBondContact O-N 3.35Å; E500-K502 VanDerWaalsContact O-N 3.16Å; E500-N503 CarbonylContact O-C 3.57Å; E500-N503 WeakPolarHBondContact O-CA 3.43Å; E500-N503 WeakPolarHBondContact O-CB 3.3Å; E500-N503 PolarHBondContact O-N 2.94Å; E500-L504 HydrophobicContact CG-CD1 3.9Å; E500-L504 HydrophobicContact CG-CG 4.16Å; E500-L504 WeakPolarHBondContact O-CG 3.32Å; E500-L504 PolarHBondContact O-N 2.73Å |
| 501 | L | 98.8 | Very high | 98.5 | Very high | 87 Ų | 87 | 94.9 Ų | 94.9 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.7 | -14.3 | 179.1 | -166.4 | 66.1 | 0 | 0 | 0 | 113.3 | N497 T499 R505 | N497-L501 WeakPolarHBondContact O-CB 3.46Å; N497-L501 PolarHBondContact O-N 3.47Å; T499-L501 PolarHBondContact O-N 3.02Å; L501-R505 WeakPolarHBondContact O-CD 3.34Å; L501-R505 VanDerWaalsContact O-CG 3.22Å; L501-R505 WeakPolarHBondContact O-CG 3.4Å; L501-R505 PolarHBondContact O-NH1 2.84Å |
| 502 | K | 98.6 | Very high | 98.5 | Very high | 140 Ų | 140 | 95.1 Ų | 95.1 | 61% | 0.609 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -81.2 | -43.2 | 165.8 | -74.3 | 167.1 | -171.4 | 171.3 | 0 | 110.9 | C498 T499 E500 R505 S506 | C498-K502 VanDerWaalsContact O-CD 3.25Å; C498-K502 WeakPolarHBondContact O-CD 3.26Å; C498-K502 WeakPolarHBondContact O-CG 3.41Å; T499-K502 WeakPolarHBondContact O-CB 3.39Å; T499-K502 PolarHBondContact O-N 3.27Å; T499-K502 VanDerWaalsContact O-N 3.13Å; E500-K502 PolarHBondContact O-N 3.35Å; E500-K502 VanDerWaalsContact O-N 3.16Å; K502-R505 PolarHBondContact O-N 3.08Å; K502-S506 PolarHBondContact O-N 3.06Å |
| 503 | N | 98.5 | Very high | 98.5 | Very high | 110 Ų | 110 | 94.1 Ų | 94.1 | 59% | 0.588 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.8 | -48.5 | 177.1 | -170.2 | 27 | 0 | 0 | 0 | 111.8 | T499 E500 R505 S506 L507 | T499-N503 PolarHBondContact O-N 3.48Å; E500-N503 CarbonylContact O-C 3.57Å; E500-N503 WeakPolarHBondContact O-CA 3.43Å; E500-N503 WeakPolarHBondContact O-CB 3.3Å; E500-N503 PolarHBondContact O-N 2.94Å; N503-R505 PolarHBondContact O-N 3.35Å; N503-S506 WeakPolarHBondContact O-CA 3.35Å; N503-S506 VanDerWaalsContact O-CB 3.3Å; N503-S506 WeakPolarHBondContact O-CB 3.43Å; N503-S506 PolarHBondContact O-N 2.92Å; N503-S506 VanDerWaalsContact O-N 3.08Å; N503-L507 PolarHBondContact O-N 3.16Å |
| 504 | L | 98.8 | Very high | 98.6 | Very high | 80 Ų | 80 | 95.9 Ų | 95.9 | 42% | 0.419 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60 | -41.3 | 177.3 | -68.3 | 174 | 0 | 0 | 0 | 112.4 | E500 L507 V508 | E500-L504 HydrophobicContact CG-CD1 3.9Å; E500-L504 HydrophobicContact CG-CG 4.16Å; E500-L504 WeakPolarHBondContact O-CG 3.32Å; E500-L504 PolarHBondContact O-N 2.73Å; L504-L507 PolarHBondContact O-N 2.93Å; L504-V508 WeakPolarHBondContact O-CG2 3.28Å; L504-V508 PolarHBondContact O-N 3.1Å |
| 505 | R | 98.6 | Very high | 98.6 | Very high | 151 Ų | 151 | 92.6 Ų | 92.6 | 57% | 0.57 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.6 | -39.9 | 173.3 | -74.5 | 177.4 | -171.8 | 118.5 | -7.5 | 112.4 | L501 K502 N503 R509 | L501-R505 WeakPolarHBondContact O-CD 3.34Å; L501-R505 VanDerWaalsContact O-CG 3.22Å; L501-R505 WeakPolarHBondContact O-CG 3.4Å; L501-R505 PolarHBondContact O-NH1 2.84Å; K502-R505 PolarHBondContact O-N 3.08Å; N503-R505 PolarHBondContact O-N 3.35Å; R505-R509 WeakPolarHBondContact O-CB 3.45Å; R505-R509 PolarHBondContact O-N 3.47Å |
| 506 | S | 98.6 | Very high | 98.6 | Very high | 69 Ų | 69 | 92.4 Ų | 92.4 | 48% | 0.483 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 174.9 | -168.9 | 0 | 0 | 0 | 0 | 111.1 | K502 N503 R509 V510 | K502-S506 PolarHBondContact O-N 3.06Å; N503-S506 WeakPolarHBondContact O-CA 3.35Å; N503-S506 VanDerWaalsContact O-CB 3.3Å; N503-S506 WeakPolarHBondContact O-CB 3.43Å; N503-S506 PolarHBondContact O-N 2.92Å; N503-S506 VanDerWaalsContact O-N 3.08Å; S506-R509 PolarHBondContact O-N 3.24Å; S506-V510 WeakPolarHBondContact O-CG2 3.34Å; S506-V510 PolarHBondContact O-N 2.94Å |
| 507 | L | 98.8 | Very high | 98.6 | Very high | 100 Ų | 100 | 91.8 Ų | 91.8 | 52% | 0.524 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 178.3 | -176.5 | 60.8 | 0 | 0 | 0 | 112 | N503 L504 R509 V510 C511 | N503-L507 PolarHBondContact O-N 3.16Å; L504-L507 PolarHBondContact O-N 2.93Å; L507-R509 VanDerWaalsContact C-N 3.31Å; L507-R509 PolarHBondContact O-N 3.24Å; L507-V510 PolarHBondContact O-N 3.26Å; L507-C511 PolarHBondContact O-N 3.48Å; L507-C511 PolarHBondContact O-SG 2.72Å; L507-C511 VanDerWaalsContact O-SG 3.33Å |
| 508 | V | 98.8 | Very high | 98.6 | Very high | 82 Ų | 82 | 94.2 Ų | 94.2 | 50% | 0.497 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56.6 | -45.9 | 173.7 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | L504 V510 C511 E512 | L504-V508 WeakPolarHBondContact O-CG2 3.28Å; L504-V508 PolarHBondContact O-N 3.1Å; V508-V510 VanDerWaalsContact C-N 3.32Å; V508-V510 PolarHBondContact O-N 2.78Å; V508-C511 WeakPolarHBondContact O-CB 3.33Å; V508-C511 PolarHBondContact O-N 3.06Å; V508-C511 VanDerWaalsContact O-N 3.12Å; V508-E512 HydrophobicContact CG1-CG 4.49Å; V508-E512 WeakPolarHBondContact O-CG 3.27Å; V508-E512 PolarHBondContact O-N 3.2Å |
| 509 | R | 98.6 | Very high | 98.6 | Very high | 138 Ų | 138 | 97.2 Ų | 97.2 | 52% | 0.521 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.4 | -37.1 | 178.5 | -175.9 | 64.2 | -163.6 | 135.2 | 4.8 | 112.8 | R505 S506 L507 E512 I513 | R505-R509 WeakPolarHBondContact O-CB 3.45Å; R505-R509 PolarHBondContact O-N 3.47Å; S506-R509 PolarHBondContact O-N 3.24Å; L507-R509 VanDerWaalsContact C-N 3.31Å; L507-R509 PolarHBondContact O-N 3.24Å; R509-E512 VanDerWaalsContact CD-OE2 3.31Å; R509-E512 WeakPolarHBondContact CD-OE2 3.47Å; R509-E512 IonicContact CZ-OE2 3.73Å; R509-E512 IonicContact NE-OE2 3.92Å; R509-E512 IonicContact NH1-OE2 3.92Å; R509-E512 PolarHBondContact NH1-OE2 3.47Å; R509-I513 HydrophobicContact CG-CD1 4.22Å; R509-I513 WeakPolarHBondContact O-CD1 3.44Å; R509-I513 VanDerWaalsContact O-CG1 3.28Å; R509-I513 WeakPolarHBondContact O-CG1 3.43Å; R509-I513 PolarHBondContact O-N 2.92Å |
| 510 | V | 98.7 | Very high | 98.6 | Very high | 81 Ų | 81 | 98.9 Ų | 98.9 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.7 | -42.7 | 173.1 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | S506 L507 V508 I513 Q514 | S506-V510 WeakPolarHBondContact O-CG2 3.34Å; S506-V510 PolarHBondContact O-N 2.94Å; L507-V510 PolarHBondContact O-N 3.26Å; V508-V510 VanDerWaalsContact C-N 3.32Å; V508-V510 PolarHBondContact O-N 2.78Å; V510-I513 PolarHBondContact O-N 2.98Å; V510-Q514 WeakPolarHBondContact O-CB 3.25Å; V510-Q514 PolarHBondContact O-N 3.35Å |
| 511 | C | 98.6 | Very high | 98.6 | Very high | 69 Ų | 69 | 102.1 Ų | 102.1 | 47% | 0.466 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 176.1 | -68.4 | 0 | 0 | 0 | 0 | 112.5 | L507 V508 Q514 A515 | L507-C511 PolarHBondContact O-N 3.48Å; L507-C511 PolarHBondContact O-SG 2.72Å; L507-C511 VanDerWaalsContact O-SG 3.33Å; V508-C511 WeakPolarHBondContact O-CB 3.33Å; V508-C511 PolarHBondContact O-N 3.06Å; V508-C511 VanDerWaalsContact O-N 3.12Å; C511-Q514 PolarHBondContact O-N 2.87Å; C511-A515 WeakPolarHBondContact O-CB 3.26Å; C511-A515 PolarHBondContact O-N 3.1Å |
| 512 | E | 98.6 | Very high | 98.6 | Very high | 90 Ų | 90 | 102 Ų | 102 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.4 | -50.8 | 173.4 | -71.7 | 169.4 | -175.5 | 0 | 0 | 111.9 | V508 R509 Q514 A515 T516 | V508-E512 HydrophobicContact CG1-CG 4.49Å; V508-E512 WeakPolarHBondContact O-CG 3.27Å; V508-E512 PolarHBondContact O-N 3.2Å; R509-E512 VanDerWaalsContact CD-OE2 3.31Å; R509-E512 WeakPolarHBondContact CD-OE2 3.47Å; R509-E512 IonicContact CZ-OE2 3.73Å; R509-E512 IonicContact NE-OE2 3.92Å; R509-E512 IonicContact NH1-OE2 3.92Å; R509-E512 PolarHBondContact NH1-OE2 3.47Å; E512-Q514 VanDerWaalsContact C-N 3.29Å; E512-Q514 PolarHBondContact O-N 2.92Å; E512-A515 WeakPolarHBondContact O-CB 3.36Å; E512-A515 PolarHBondContact O-N 3.5Å; E512-A515 VanDerWaalsContact O-N 3.13Å; E512-T516 PolarHBondContact O-N 3.11Å; E512-T516 PolarHBondContact O-OG1 3.45Å |
| 513 | I | 98.8 | Very high | 98.6 | Very high | 68 Ų | 68 | 99.9 Ų | 99.9 | 35% | 0.349 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -39.8 | 179 | -67 | 164.9 | 0 | 0 | 0 | 110.4 | R509 V510 A515 T516 L517 | R509-I513 HydrophobicContact CG-CD1 4.22Å; R509-I513 WeakPolarHBondContact O-CD1 3.44Å; R509-I513 VanDerWaalsContact O-CG1 3.28Å; R509-I513 WeakPolarHBondContact O-CG1 3.43Å; R509-I513 PolarHBondContact O-N 2.92Å; V510-I513 PolarHBondContact O-N 2.98Å; I513-A515 VanDerWaalsContact C-N 3.3Å; I513-A515 PolarHBondContact O-N 3.41Å; I513-T516 PolarHBondContact O-OG1 2.88Å; I513-L517 HydrophobicContact CG2-CD1 3.89Å; I513-L517 HydrophobicContact CG2-CG 4.45Å; I513-L517 WeakPolarHBondContact O-CB 3.45Å; I513-L517 VanDerWaalsContact O-CG 3.26Å; I513-L517 WeakPolarHBondContact O-CG 3.28Å; I513-L517 PolarHBondContact O-N 3.05Å |
| 514 | Q | 98.6 | Very high | 98.6 | Very high | 97 Ų | 97 | 100.6 Ų | 100.6 | 45% | 0.453 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.4 | -24.1 | 177.6 | -150.8 | -169.4 | 53.8 | 0 | 0 | 112.7 | V510 C511 E512 R518 | V510-Q514 WeakPolarHBondContact O-CB 3.25Å; V510-Q514 PolarHBondContact O-N 3.35Å; C511-Q514 PolarHBondContact O-N 2.87Å; E512-Q514 VanDerWaalsContact C-N 3.29Å; E512-Q514 PolarHBondContact O-N 2.92Å; Q514-R518 VanDerWaalsContact CD-NH1 3.33Å; Q514-R518 VanDerWaalsContact CD-NH2 3.31Å; Q514-R518 VanDerWaalsContact CG-NH1 3.33Å; Q514-R518 VanDerWaalsContact O-CG 3.27Å; Q514-R518 WeakPolarHBondContact O-CG 3.34Å; Q514-R518 PolarHBondContact O-N 3.25Å; Q514-R518 PolarHBondContact O-NH1 2.97Å |
| 515 | A | 98.3 | Very high | 98.6 | Very high | 52 Ų | 52 | 100.5 Ų | 100.5 | 43% | 0.43 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -73.7 | -49.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | C511 E512 I513 L517 R518 E519 | C511-A515 WeakPolarHBondContact O-CB 3.26Å; C511-A515 PolarHBondContact O-N 3.1Å; E512-A515 WeakPolarHBondContact O-CB 3.36Å; E512-A515 PolarHBondContact O-N 3.5Å; E512-A515 VanDerWaalsContact O-N 3.13Å; I513-A515 VanDerWaalsContact C-N 3.3Å; I513-A515 PolarHBondContact O-N 3.41Å; A515-L517 PolarHBondContact O-N 3.28Å; A515-R518 WeakPolarHBondContact O-CB 3.39Å; A515-R518 PolarHBondContact O-N 3.29Å; A515-R518 VanDerWaalsContact O-N 3.13Å; A515-E519 PolarHBondContact O-N 3.1Å |
| 516 | T | 98.7 | Very high | 98.6 | Very high | 70 Ų | 70 | 101.3 Ų | 101.3 | 43% | 0.429 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.2 | -36.7 | 179.7 | 57.9 | 0 | 0 | 0 | 0 | 112.5 | E512 I513 R518 E519 Q520 | E512-T516 PolarHBondContact O-N 3.11Å; E512-T516 PolarHBondContact O-OG1 3.45Å; I513-T516 PolarHBondContact O-OG1 2.88Å; T516-R518 VanDerWaalsContact C-N 3.35Å; T516-R518 PolarHBondContact O-N 3.35Å; T516-E519 PolarHBondContact O-N 3.2Å; T516-Q520 WeakPolarHBondContact O-CB 3.15Å; T516-Q520 VanDerWaalsContact O-CG 3.31Å; T516-Q520 WeakPolarHBondContact O-CG 3.33Å; T516-Q520 PolarHBondContact O-N 2.95Å |
| 517 | L | 98.8 | Very high | 98.6 | Very high | 101 Ų | 101 | 102.5 Ų | 102.5 | 53% | 0.529 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.4 | -35.6 | 172.8 | -72.7 | 171.5 | 0 | 0 | 0 | 112.9 | I513 A515 R521 | I513-L517 HydrophobicContact CG2-CD1 3.89Å; I513-L517 HydrophobicContact CG2-CG 4.45Å; I513-L517 WeakPolarHBondContact O-CB 3.45Å; I513-L517 VanDerWaalsContact O-CG 3.26Å; I513-L517 WeakPolarHBondContact O-CG 3.28Å; I513-L517 PolarHBondContact O-N 3.05Å; A515-L517 PolarHBondContact O-N 3.28Å; L517-R521 WeakPolarHBondContact O-CB 3.31Å; L517-R521 PolarHBondContact O-N 3.43Å; L517-R521 VanDerWaalsContact O-N 3.1Å |
| 518 | R | 98.6 | Very high | 98.5 | Very high | 138 Ų | 138 | 101.6 Ų | 101.6 | 52% | 0.521 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.5 | -43.2 | 172.9 | -77.9 | 178.3 | -175.3 | 105.7 | -4.3 | 111.3 | Q514 A515 T516 R521 I522 | Q514-R518 VanDerWaalsContact CD-NH1 3.33Å; Q514-R518 VanDerWaalsContact CD-NH2 3.31Å; Q514-R518 VanDerWaalsContact CG-NH1 3.33Å; Q514-R518 VanDerWaalsContact O-CG 3.27Å; Q514-R518 WeakPolarHBondContact O-CG 3.34Å; Q514-R518 PolarHBondContact O-N 3.25Å; Q514-R518 PolarHBondContact O-NH1 2.97Å; A515-R518 WeakPolarHBondContact O-CB 3.39Å; A515-R518 PolarHBondContact O-N 3.29Å; A515-R518 VanDerWaalsContact O-N 3.13Å; T516-R518 VanDerWaalsContact C-N 3.35Å; T516-R518 PolarHBondContact O-N 3.35Å; R518-R521 PolarHBondContact O-N 3.32Å; R518-I522 WeakPolarHBondContact O-CG1 3.42Å; R518-I522 PolarHBondContact O-N 2.98Å |
| 519 | E | 98.5 | Very high | 98.4 | Very high | 120 Ų | 120 | 102 Ų | 102 | 56% | 0.561 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.8 | -47.5 | 177.4 | -177 | 171.1 | -149.7 | 0 | 0 | 111.7 | A515 T516 R521 I522 L523 | A515-E519 PolarHBondContact O-N 3.1Å; T516-E519 PolarHBondContact O-N 3.2Å; E519-R521 VanDerWaalsContact C-N 3.3Å; E519-R521 PolarHBondContact O-N 3.22Å; E519-I522 PolarHBondContact O-N 2.82Å; E519-I522 VanDerWaalsContact O-N 3.08Å; E519-L523 HydrophobicContact CG-CD1 4.28Å; E519-L523 WeakPolarHBondContact O-CG 3.5Å; E519-L523 PolarHBondContact O-N 3.44Å |
| 520 | Q | 98.6 | Very high | 98.4 | Very high | 120 Ų | 120 | 102 Ų | 102 | 56% | 0.561 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -56.5 | -42.6 | 173.6 | -73.6 | 173.8 | -5.9 | 0 | 0 | 112.1 | T516 L523 F524 | T516-Q520 WeakPolarHBondContact O-CB 3.15Å; T516-Q520 VanDerWaalsContact O-CG 3.31Å; T516-Q520 WeakPolarHBondContact O-CG 3.33Å; T516-Q520 PolarHBondContact O-N 2.95Å; Q520-L523 PolarHBondContact O-N 3.17Å; Q520-F524 WeakPolarHBondContact O-CB 3.49Å; Q520-F524 PolarHBondContact O-N 3.31Å |
| 521 | R | 98.6 | Very high | 98.3 | Very high | 181 Ų | 181 | 102.8 Ų | 102.8 | 68% | 0.683 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.3 | -38.6 | 175.4 | -173 | 175.8 | -179.2 | 176.5 | 0.7 | 112.5 | L517 R518 E519 L525 | L517-R521 WeakPolarHBondContact O-CB 3.31Å; L517-R521 PolarHBondContact O-N 3.43Å; L517-R521 VanDerWaalsContact O-N 3.1Å; R518-R521 PolarHBondContact O-N 3.32Å; E519-R521 VanDerWaalsContact C-N 3.3Å; E519-R521 PolarHBondContact O-N 3.22Å; R521-L525 HydrophobicContact CG-CD1 4.14Å; R521-L525 WeakPolarHBondContact O-CB 3.48Å; R521-L525 VanDerWaalsContact O-CG 3.27Å; R521-L525 WeakPolarHBondContact O-CG 3.38Å; R521-L525 PolarHBondContact O-N 3.36Å |
| 522 | I | 98.6 | Very high | 98.1 | Very high | 84 Ų | 84 | 105 Ų | 105 | 43% | 0.431 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 175.7 | -69.8 | 162.9 | 0 | 0 | 0 | 110.8 | R518 E519 L525 R526 | R518-I522 WeakPolarHBondContact O-CG1 3.42Å; R518-I522 PolarHBondContact O-N 2.98Å; E519-I522 PolarHBondContact O-N 2.82Å; E519-I522 VanDerWaalsContact O-N 3.08Å; I522-L525 PolarHBondContact O-N 3.41Å; I522-R526 WeakPolarHBondContact O-CB 3.47Å; I522-R526 VanDerWaalsContact O-CG 3.28Å; I522-R526 WeakPolarHBondContact O-CG 3.5Å; I522-R526 PolarHBondContact O-N 3.32Å |
| 523 | L | 98.4 | Very high | 98 | Very high | 96 Ų | 96 | 105.5 Ų | 105.5 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 176.7 | -68.7 | 172.1 | 0 | 0 | 0 | 111.8 | E519 Q520 R526 Q527 | E519-L523 HydrophobicContact CG-CD1 4.28Å; E519-L523 WeakPolarHBondContact O-CG 3.5Å; E519-L523 PolarHBondContact O-N 3.44Å; Q520-L523 PolarHBondContact O-N 3.17Å; L523-R526 PolarHBondContact O-N 3.18Å; L523-Q527 PolarHBondContact O-N 2.9Å |
| 524 | F | 98.5 | Very high | 97.8 | Very high | 125 Ų | 125 | 108.7 Ų | 108.7 | 55% | 0.548 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.5 | -48.8 | 174.7 | 178.2 | -99.7 | 0 | 0 | 0 | 112.1 | Q520 R526 Q527 Q528 | Q520-F524 WeakPolarHBondContact O-CB 3.49Å; Q520-F524 PolarHBondContact O-N 3.31Å; F524-R526 VanDerWaalsContact C-N 3.35Å; F524-R526 PolarHBondContact O-N 3.31Å; F524-Q527 PolarHBondContact O-N 3.21Å; F524-Q527 VanDerWaalsContact O-N 3.17Å; F524-Q528 HydrophobicContact CD1-CG 4.43Å; F524-Q528 HydrophobicContact CE1-CG 4.03Å; F524-Q528 HydrophobicContact CE2-CG 4.5Å; F524-Q528 HydrophobicContact CZ-CG 4.06Å; F524-Q528 PolarHBondContact O-N 3.43Å |
| 525 | L | 98.6 | Very high | 97.5 | Very high | 79 Ų | 79 | 109 Ų | 109 | 41% | 0.414 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 178 | -70.9 | 169.5 | 0 | 0 | 0 | 112.3 | R521 I522 Q527 Q528 I529 | R521-L525 HydrophobicContact CG-CD1 4.14Å; R521-L525 WeakPolarHBondContact O-CB 3.48Å; R521-L525 VanDerWaalsContact O-CG 3.27Å; R521-L525 WeakPolarHBondContact O-CG 3.38Å; R521-L525 PolarHBondContact O-N 3.36Å; I522-L525 PolarHBondContact O-N 3.41Å; L525-Q527 VanDerWaalsContact C-N 3.33Å; L525-Q527 PolarHBondContact O-N 3.14Å; L525-Q528 PolarHBondContact O-N 3.35Å; L525-I529 WeakPolarHBondContact O-CD1 3.27Å; L525-I529 VanDerWaalsContact O-CG1 3.27Å; L525-I529 WeakPolarHBondContact O-CG1 3.49Å; L525-I529 PolarHBondContact O-N 2.79Å |
| 526 | R | 98.1 | Very high | 97.2 | Very high | 168 Ų | 168 | 112.7 Ų | 112.7 | 63% | 0.634 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.9 | -39.2 | 173.4 | -76.6 | 172 | 174.9 | 176.8 | -0.9 | 112.4 | I522 L523 F524 K530 | I522-R526 WeakPolarHBondContact O-CB 3.47Å; I522-R526 VanDerWaalsContact O-CG 3.28Å; I522-R526 WeakPolarHBondContact O-CG 3.5Å; I522-R526 PolarHBondContact O-N 3.32Å; L523-R526 PolarHBondContact O-N 3.18Å; F524-R526 VanDerWaalsContact C-N 3.35Å; F524-R526 PolarHBondContact O-N 3.31Å; R526-K530 WeakPolarHBondContact O-CB 3.47Å; R526-K530 PolarHBondContact O-N 3.15Å; R526-K530 VanDerWaalsContact O-N 3.1Å |
| 527 | Q | 98.3 | Very high | 96.6 | Very high | 93 Ų | 93 | 113.2 Ų | 113.2 | 44% | 0.435 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.7 | -44.5 | 175.7 | -179.3 | 59.7 | 23.3 | 0 | 0 | 111.5 | L523 F524 L525 I529 K530 E531 | L523-Q527 PolarHBondContact O-N 2.9Å; F524-Q527 PolarHBondContact O-N 3.21Å; F524-Q527 VanDerWaalsContact O-N 3.17Å; L525-Q527 VanDerWaalsContact C-N 3.33Å; L525-Q527 PolarHBondContact O-N 3.14Å; Q527-I529 VanDerWaalsContact C-N 3.35Å; Q527-I529 PolarHBondContact O-N 3.21Å; Q527-K530 PolarHBondContact O-N 2.77Å; Q527-E531 PolarHBondContact NE2-OE1 3.31Å; Q527-E531 WeakPolarHBondContact O-CG 3.41Å; Q527-E531 PolarHBondContact O-N 2.93Å |
| 528 | Q | 97.6 | Very high | 95.8 | Very high | 81 Ų | 81 | 113.3 Ų | 113.3 | 38% | 0.379 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61 | -41 | 175.4 | -69.3 | -168 | -56 | 0 | 0 | 112.7 | F524 L525 E531 L532 | F524-Q528 HydrophobicContact CD1-CG 4.43Å; F524-Q528 HydrophobicContact CE1-CG 4.03Å; F524-Q528 HydrophobicContact CE2-CG 4.5Å; F524-Q528 HydrophobicContact CZ-CG 4.06Å; F524-Q528 PolarHBondContact O-N 3.43Å; L525-Q528 PolarHBondContact O-N 3.35Å; Q528-E531 PolarHBondContact O-N 3.48Å; Q528-L532 WeakPolarHBondContact O-CB 3.4Å; Q528-L532 WeakPolarHBondContact O-CG 3.45Å; Q528-L532 PolarHBondContact O-N 3.27Å |
| 529 | I | 97.4 | Very high | 94.7 | Very high | 91 Ų | 91 | 111.8 Ų | 111.8 | 47% | 0.467 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.2 | -48 | 174.4 | -70.7 | 163.1 | 0 | 0 | 0 | 110.2 | L525 Q527 E531 L532 E533 | L525-I529 WeakPolarHBondContact O-CD1 3.27Å; L525-I529 VanDerWaalsContact O-CG1 3.27Å; L525-I529 WeakPolarHBondContact O-CG1 3.49Å; L525-I529 PolarHBondContact O-N 2.79Å; Q527-I529 VanDerWaalsContact C-N 3.35Å; Q527-I529 PolarHBondContact O-N 3.21Å; I529-E531 VanDerWaalsContact C-N 3.3Å; I529-E531 PolarHBondContact O-N 3.33Å; I529-L532 PolarHBondContact O-N 3.25Å; I529-E533 HydrophobicContact CG2-CG 4.32Å; I529-E533 WeakPolarHBondContact O-CB 3.29Å; I529-E533 WeakPolarHBondContact O-CG 3.14Å; I529-E533 PolarHBondContact O-N 3.38Å |
| 530 | K | 97.4 | Very high | 93.5 | Very high | 138 Ų | 138 | 110.1 Ų | 110.1 | 60% | 0.6 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.4 | -34.4 | 179.2 | -172.7 | 178 | -179.6 | -179.4 | 0 | 113.2 | R526 Q527 K534 | R526-K530 WeakPolarHBondContact O-CB 3.47Å; R526-K530 PolarHBondContact O-N 3.15Å; R526-K530 VanDerWaalsContact O-N 3.1Å; Q527-K530 PolarHBondContact O-N 2.77Å; K530-K534 WeakPolarHBondContact O-CB 3.36Å; K530-K534 PolarHBondContact O-N 2.88Å |
| 531 | E | 96.6 | Very high | 91.9 | Very high | 98 Ų | 98 | 113.3 Ų | 113.3 | 46% | 0.458 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70.9 | -43.2 | 174.5 | -74.3 | 169.6 | -171.3 | 0 | 0 | 112 | Q527 Q528 I529 K534 L535 | Q527-E531 PolarHBondContact NE2-OE1 3.31Å; Q527-E531 WeakPolarHBondContact O-CG 3.41Å; Q527-E531 PolarHBondContact O-N 2.93Å; Q528-E531 PolarHBondContact O-N 3.48Å; I529-E531 VanDerWaalsContact C-N 3.3Å; I529-E531 PolarHBondContact O-N 3.33Å; E531-K534 WeakPolarHBondContact O-CB 3.35Å; E531-K534 PolarHBondContact O-N 2.92Å; E531-L535 WeakPolarHBondContact O-CG 3.33Å; E531-L535 PolarHBondContact O-N 3.38Å |
| 532 | L | 95.6 | Very high | 90.1 | Very high | 116 Ų | 116 | 112.2 Ų | 112.2 | 61% | 0.607 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.1 | -39.2 | 173.8 | -71.1 | 169.1 | 0 | 0 | 0 | 112.1 | Q528 I529 L535 K536 | Q528-L532 WeakPolarHBondContact O-CB 3.4Å; Q528-L532 WeakPolarHBondContact O-CG 3.45Å; Q528-L532 PolarHBondContact O-N 3.27Å; I529-L532 PolarHBondContact O-N 3.25Å; L532-L535 PolarHBondContact O-N 2.96Å; L532-K536 VanDerWaalsContact O-CB 3.25Å; L532-K536 WeakPolarHBondContact O-CB 3.32Å; L532-K536 PolarHBondContact O-N 3.4Å |
| 533 | E | 95.8 | Very high | 87.7 | Confident | 99 Ų | 99 | 116.9 Ų | 116.9 | 46% | 0.463 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.6 | -42.8 | 173.3 | -75.6 | 175.5 | 156.6 | 0 | 0 | 111.9 | I529 K536 N537 | I529-E533 HydrophobicContact CG2-CG 4.32Å; I529-E533 WeakPolarHBondContact O-CB 3.29Å; I529-E533 WeakPolarHBondContact O-CG 3.14Å; I529-E533 PolarHBondContact O-N 3.38Å; E533-K536 PolarHBondContact O-N 3.34Å; E533-N537 WeakPolarHBondContact O-CB 3.49Å; E533-N537 PolarHBondContact O-N 3.29Å; E533-N537 PolarHBondContact O-OD1 3.49Å |
| 534 | K | 94.5 | Very high | 87.2 | Confident | 136 Ų | 136 | 117.9 Ų | 117.9 | 59% | 0.591 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.5 | -48 | 174.2 | -175.9 | -173.9 | 174.6 | -171.9 | 0 | 111.3 | K530 E531 N537 Q538 | K530-K534 WeakPolarHBondContact O-CB 3.36Å; K530-K534 PolarHBondContact O-N 2.88Å; E531-K534 WeakPolarHBondContact O-CB 3.35Å; E531-K534 PolarHBondContact O-N 2.92Å; K534-N537 PolarHBondContact O-N 3.49Å; K534-Q538 WeakPolarHBondContact O-CG 3.25Å; K534-Q538 PolarHBondContact O-N 3.3Å |
| 535 | L | 92.3 | Very high | 86.6 | Confident | 103 Ų | 103 | 117.5 Ų | 117.5 | 54% | 0.539 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64 | -43 | 179.3 | -72.4 | 168.6 | 0 | 0 | 0 | 112.3 | E531 L532 Q538 N539 | E531-L535 WeakPolarHBondContact O-CG 3.33Å; E531-L535 PolarHBondContact O-N 3.38Å; L532-L535 PolarHBondContact O-N 2.96Å; L535-Q538 PolarHBondContact O-N 2.97Å; L535-N539 PolarHBondContact O-N 3.21Å |
| 536 | K | 92 | Very high | 85.9 | Confident | 130 Ų | 130 | 119.7 Ų | 119.7 | 57% | 0.565 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -57.8 | -48.7 | 173.6 | -178.7 | -159.9 | 72.5 | -176.8 | 0 | 110.9 | L532 E533 Q538 N539 S540 | L532-K536 VanDerWaalsContact O-CB 3.25Å; L532-K536 WeakPolarHBondContact O-CB 3.32Å; L532-K536 PolarHBondContact O-N 3.4Å; E533-K536 PolarHBondContact O-N 3.34Å; K536-Q538 VanDerWaalsContact C-N 3.35Å; K536-Q538 PolarHBondContact O-N 3.14Å; K536-N539 PolarHBondContact O-N 3.45Å; K536-S540 WeakPolarHBondContact O-CB 3.39Å; K536-S540 PolarHBondContact O-N 2.95Å |
| 537 | N | 86.5 | Confident | 85.2 | Confident | 81 Ų | 81 | 116.8 Ų | 116.8 | 43% | 0.433 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.3 | -38.6 | -179.9 | -70.4 | 12.5 | 0 | 0 | 0 | 111.3 | E533 K534 S540 F541 | E533-N537 WeakPolarHBondContact O-CB 3.49Å; E533-N537 PolarHBondContact O-N 3.29Å; E533-N537 PolarHBondContact O-OD1 3.49Å; K534-N537 PolarHBondContact O-N 3.49Å; N537-S540 PolarHBondContact O-N 2.84Å; N537-F541 WeakPolarHBondContact O-CD2 3.46Å; N537-F541 PolarHBondContact O-N 2.94Å |
| 538 | Q | 82.3 | Confident | 84.4 | Confident | 102 Ų | 102 | 118.3 Ų | 118.3 | 48% | 0.477 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63 | -42.5 | 173.7 | -73.4 | 178.6 | -62.4 | 0 | 0 | 112.4 | K534 L535 K536 S540 F541 | K534-Q538 WeakPolarHBondContact O-CG 3.25Å; K534-Q538 PolarHBondContact O-N 3.3Å; L535-Q538 PolarHBondContact O-N 2.97Å; K536-Q538 VanDerWaalsContact C-N 3.35Å; K536-Q538 PolarHBondContact O-N 3.14Å; Q538-S540 VanDerWaalsContact C-N 3.3Å; Q538-S540 PolarHBondContact O-N 3.29Å; Q538-F541 PolarHBondContact O-N 2.96Å |
| 539 | N | 75.5 | Confident | 83.5 | Confident | 107 Ų | 107 | 120.8 Ų | 120.8 | 57% | 0.572 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -62.4 | -38.1 | 174.1 | -122.6 | -78.4 | 0 | 0 | 0 | 111.8 | L535 K536 F541 M542 | L535-N539 PolarHBondContact O-N 3.21Å; K536-N539 PolarHBondContact O-N 3.45Å; N539-F541 PolarHBondContact O-N 3.12Å; N539-F541 VanDerWaalsContact O-N 3.14Å; N539-M542 PolarHBondContact O-N 3.31Å |
| 540 | S | 73.1 | Confident | 82.5 | Confident | 84 Ų | 84 | 122.9 Ų | 122.9 | 59% | 0.587 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -0.3 | 177 | -167.1 | 0 | 0 | 0 | 0 | 115 | K536 N537 Q538 | K536-S540 WeakPolarHBondContact O-CB 3.39Å; K536-S540 PolarHBondContact O-N 2.95Å; N537-S540 PolarHBondContact O-N 2.84Å; Q538-S540 VanDerWaalsContact C-N 3.3Å; Q538-S540 PolarHBondContact O-N 3.29Å |
| 541 | F | 65 | Low | 81.4 | Confident | 188 Ų | 188 | 121.8 Ų | 121.8 | 83% | 0.825 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | 4.1 | 168 | -74.9 | -68.3 | 0 | 0 | 0 | 112.7 | N537 Q538 N539 | N537-F541 WeakPolarHBondContact O-CD2 3.46Å; N537-F541 PolarHBondContact O-N 2.94Å; Q538-F541 PolarHBondContact O-N 2.96Å; N539-F541 PolarHBondContact O-N 3.12Å; N539-F541 VanDerWaalsContact O-N 3.14Å |
| 542 | M | 59.5 | Low | 80.1 | Confident | 158 Ų | 158 | 123.8 Ų | 123.8 | 78% | 0.778 | 63% | 0.628 | S | S | * | * | trans | -110.4 | 6.9 | 177.5 | -70.9 | 177.2 | 49.5 | 0 | 0 | 113.3 | N539 | N539-M542 PolarHBondContact O-N 3.31Š| ||
| 543 | V | 49.1 | Very low | 78.7 | Confident | 181 Ų | 181 | 124.5 Ų | 124.5 | 100% | 1.097 | 63% | 0.63 | S | S | * | * | trans | -130.6 | 0 | 178.9 | -175.3 | 0 | 0 | 0 | 0 | 108.4 |
Retrieved 543 of 543 residues in 306 ms
(Link to these results)