| 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 | 33.9 | Very low | 36.7 | Very low | 223 Ų | 223 | 152.7 Ų | 152.7 | 100% | 1.099 | 81% | 0.806 | S | S | * | * | 0 | 81.6 | 0 | -62.2 | -177.8 | 179.8 | 0 | 0 | 105.2 | |||||
| 2 | D | 35.6 | Very low | 36.4 | Very low | 149 Ų | 149 | 150.1 Ų | 150.1 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | cis | 65.9 | 141.6 | 36.8 | -45.9 | -49.6 | 0 | 0 | 0 | 113.3 | ||||
| 3 | F | 36 | Very low | 36 | Very low | 180 Ų | 180 | 158.4 Ų | 158.4 | 79% | 0.789 | 82% | 0.82 | S | S | * | * | trans | 95.9 | 107.4 | -171.7 | -76.4 | -89.8 | 0 | 0 | 0 | 114.3 | ||||
| 4 | E | 39.5 | Very low | 35.8 | Very low | 147 Ų | 147 | 157 Ų | 157 | 69% | 0.687 | 81% | 0.814 | S | S | * | * | cis | 58 | 145.4 | 45.7 | -48.6 | 178.6 | 145.2 | 0 | 0 | 112 | ||||
| 5 | D | 42.8 | Very low | 35.8 | Very low | 141 Ų | 141 | 155.6 Ų | 155.6 | 75% | 0.754 | 82% | 0.815 | S | S | * | * | cis | -169.8 | 148.6 | -26.5 | -109.5 | -39.7 | 0 | 0 | 0 | 105.2 | ||||
| 6 | D | 41.4 | Very low | 35.8 | Very low | 163 Ų | 163 | 159 Ų | 159 | 87% | 0.872 | 82% | 0.816 | S | S | * | * | trans | -172.5 | 100.4 | 167.3 | -96.9 | -33 | 0 | 0 | 0 | 107.5 | ||||
| 7 | Y | 33.8 | Very low | 36 | Very low | 170 Ų | 170 | 160.8 Ų | 160.8 | 67% | 0.667 | 82% | 0.82 | S | S | * | * | cis | 81.7 | 91.2 | 44.9 | -155.1 | -86.1 | 0 | 0 | 0 | 115.4 | H9 | Y7-H9 AromaticContact CE1-CD2 3.65Å; Y7-H9 AromaticContact CE1-NE2 3.58Å | ||
| 8 | T | 37.2 | Very low | 35.7 | Very low | 142 Ų | 142 | 156 Ų | 156 | 87% | 0.871 | 82% | 0.817 | S | S | * | * | trans | -146.4 | 94 | 150.7 | 39 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 9 | H | 38 | Very low | 35.3 | Very low | 152 Ų | 152 | 158.1 Ų | 158.1 | 70% | 0.704 | 82% | 0.819 | S | S | * | * | trans | 42.2 | 127.5 | 143 | -86.7 | -76.1 | 0 | 0 | 0 | 125 | Y7 | Y7-H9 AromaticContact CE1-CD2 3.65Å; Y7-H9 AromaticContact CE1-NE2 3.58Å | ||
| 10 | S | 32.9 | Very low | 35.3 | Very low | 107 Ų | 107 | 157 Ų | 157 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | trans | -79.3 | 161.6 | 167.4 | -7.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 11 | A | 32.1 | Very low | 35.1 | Very low | 106 Ų | 106 | 152.9 Ų | 152.9 | 88% | 0.876 | 81% | 0.811 | S | S | * | * | trans | -154.7 | 125.3 | 146.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 12 | C | 33.3 | Very low | 35.1 | Very low | 121 Ų | 121 | 151.5 Ų | 151.5 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -98.6 | 153.2 | -179.8 | -42.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 13 | R | 31.6 | Very low | 35.4 | Very low | 258 Ų | 258 | 151.6 Ų | 151.6 | 97% | 0.974 | 81% | 0.805 | S | S | * | * | trans | -160.6 | 148.7 | 147 | -117.6 | 167.8 | -176.9 | 149.8 | 2.6 | 112.9 | ||||
| 14 | N | 32.8 | Very low | 35.5 | Very low | 139 Ų | 139 | 154.3 Ų | 154.3 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | trans | -139.9 | 131.2 | -164.1 | -178.1 | 1.2 | 0 | 0 | 0 | 109.4 | ||||
| 15 | T | 35.7 | Very low | 35.5 | Very low | 136 Ų | 136 | 154.4 Ų | 154.4 | 83% | 0.834 | 82% | 0.815 | S | S | * | * | trans | -154.1 | 86.2 | 172.9 | 49.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 16 | Y | 36.2 | Very low | 35.2 | Very low | 210 Ų | 210 | 159 Ų | 159 | 82% | 0.824 | 82% | 0.823 | S | S | * | * | 45.1 | 146.7 | 126.7 | -106.7 | -90.8 | 0 | 0 | 0 | 125.1 | |||||
| 17 | Q | 40 | Very low | 34.6 | Very low | 189 Ų | 189 | 154 Ų | 154 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | 87.6 | 120.4 | 167.1 | -58.2 | -177.6 | 4.6 | 0 | 0 | 117 | ||||
| 18 | G | 30.5 | Very low | 35 | Very low | 75 Ų | 75 | 152.6 Ų | 152.6 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | cis | 170.7 | -174.6 | -6.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 19 | F | 27.4 | Very low | 34.7 | Very low | 195 Ų | 195 | 149.5 Ų | 149.5 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | trans | 86.9 | 103.2 | 171.8 | -114.9 | -102.6 | 0 | 0 | 0 | 119.4 | ||||
| 20 | N | 34.8 | Very low | 34.4 | Very low | 137 Ų | 137 | 148 Ų | 148 | 73% | 0.733 | 83% | 0.825 | S | S | * | * | trans | 21.2 | 138.1 | 138.3 | -41.2 | -34.6 | 0 | 0 | 0 | 119.3 | ||||
| 21 | G | 31.6 | Very low | 34.5 | Very low | 71 Ų | 71 | 153.7 Ų | 153.7 | 73% | 0.732 | 83% | 0.831 | S | S | * | * | cis | 124.2 | 132.7 | 10.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 22 | M | 33.4 | Very low | 34.5 | Very low | 193 Ų | 193 | 151.5 Ų | 151.5 | 95% | 0.951 | 82% | 0.819 | S | S | * | * | trans | 77.9 | 130.9 | 172.4 | -70.6 | -174.9 | 167 | 0 | 0 | 120.9 | ||||
| 23 | D | 42.1 | Very low | 34.4 | Very low | 151 Ų | 151 | 149 Ų | 149 | 81% | 0.807 | 81% | 0.814 | S | S | * | * | trans | -58.1 | 156.9 | 163.3 | -44.1 | -99.7 | 0 | 0 | 0 | 113.6 | ||||
| 24 | R | 39.5 | Very low | 34.5 | Very low | 238 Ų | 238 | 145.7 Ų | 145.7 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | trans | -175.2 | 135.1 | 134.8 | -108.8 | 167.6 | -178.1 | -177.7 | 0.3 | 114 | ||||
| 25 | D | 39.6 | Very low | 34.7 | Very low | 149 Ų | 149 | 145.8 Ų | 145.8 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | -58.7 | 150.5 | 157.6 | -47.4 | -91.1 | 0 | 0 | 0 | 111.5 | ||||
| 26 | Y | 34.8 | Very low | 34.7 | Very low | 237 Ų | 237 | 151.2 Ų | 151.2 | 93% | 0.929 | 82% | 0.818 | S | S | * | * | trans | -166.9 | 150.9 | 135.2 | -122.1 | -87.9 | 0 | 0 | 0 | 111.3 | ||||
| 27 | G | 30.2 | Very low | 34.7 | Very low | 58 Ų | 58 | 147.9 Ų | 147.9 | 60% | 0.598 | 81% | 0.814 | S | S | * | * | trans | -80.8 | -171.2 | -169.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | G29 | G27-G29 PolarHBondContact O-N 3.5Š| ||
| 28 | P | 40.8 | Very low | 34.3 | Very low | 141 Ų | 141 | 150.4 Ų | 150.4 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 121.9 | -171.5 | 29.1 | -34.4 | 0 | 0 | 0 | 112.9 | ||
| 29 | G | 30.6 | Very low | 34.4 | Very low | 76 Ų | 76 | 150 Ų | 150 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 142.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | G27 | G27-G29 PolarHBondContact O-N 3.5Š|
| 30 | S | 32.5 | Very low | 34.7 | Very low | 121 Ų | 121 | 150.1 Ų | 150.1 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -68 | 143.6 | 170.2 | 179.6 | 0 | 0 | 0 | 0 | 112.1 | ||
| 31 | Y | 35.1 | Very low | 34.5 | Very low | 226 Ų | 226 | 147.1 Ų | 147.1 | 89% | 0.886 | 82% | 0.817 | S | S | * | * | trans | -131.3 | 123.5 | 158.8 | -158.1 | -90 | 0 | 0 | 0 | 108.9 | ||||
| 32 | G | 33 | Very low | 34.6 | Very low | 60 Ų | 60 | 149.7 Ų | 149.7 | 62% | 0.619 | 82% | 0.823 | S | S | * | * | trans | -123 | 165.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 33 | G | 31.1 | Very low | 34.7 | Very low | 69 Ų | 69 | 151.3 Ų | 151.3 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | trans | 113.9 | 97.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 34 | M | 34 | Very low | 34.4 | Very low | 188 Ų | 188 | 147.4 Ų | 147.4 | 93% | 0.926 | 82% | 0.816 | S | S | * | * | -158.3 | 135.3 | 126.1 | -106.2 | 167.4 | -160.1 | 0 | 0 | 110.5 | |||||
| 35 | D | 36.2 | Very low | 33.9 | Very low | 141 Ų | 141 | 140.1 Ų | 140.1 | 75% | 0.754 | 82% | 0.815 | S | S | * | * | trans | -80.6 | 154.1 | -157.5 | -47.5 | -95.9 | 0 | 0 | 0 | 114.4 | ||||
| 36 | R | 36.4 | Very low | 33.9 | Very low | 251 Ų | 251 | 142.3 Ų | 142.3 | 95% | 0.947 | 82% | 0.821 | S | S | * | * | trans | -159.8 | 106.7 | 141.3 | -114.3 | 170.1 | -168.6 | 179 | 4.6 | 112.1 | ||||
| 37 | D | 34.3 | Very low | 34.2 | Very low | 140 Ų | 140 | 143 Ų | 143 | 75% | 0.749 | 82% | 0.822 | S | S | * | * | trans | -65.1 | 140.5 | 175.4 | -50.4 | -90.7 | 0 | 0 | 0 | 112.7 | ||||
| 38 | Y | 32.9 | Very low | 34.4 | Very low | 242 Ų | 242 | 145.1 Ų | 145.1 | 95% | 0.949 | 83% | 0.827 | S | S | * | * | -162.1 | 99 | 128.7 | -116.2 | -76.7 | 0 | 0 | 0 | 108.6 | |||||
| 39 | G | 31.2 | Very low | 34.4 | Very low | 66 Ų | 66 | 146.5 Ų | 146.5 | 68% | 0.68 | 82% | 0.823 | S | S | * | * | trans | -93.2 | 148.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 40 | H | 33.6 | Very low | 34.7 | Very low | 198 Ų | 198 | 150.8 Ų | 150.8 | 92% | 0.917 | 82% | 0.823 | S | S | * | * | trans | -160.5 | 129.4 | 148.6 | -131.5 | -84.2 | 0 | 0 | 0 | 113.2 | ||||
| 41 | G | 30.8 | Very low | 34.9 | Very low | 73 Ų | 73 | 149.7 Ų | 149.7 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | trans | 96.6 | 83.2 | 147.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 42 | S | 34.9 | Very low | 35.1 | Very low | 125 Ų | 125 | 149 Ų | 149 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -69.3 | 144.6 | 163.1 | -53.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 43 | Y | 36 | Very low | 35.4 | Very low | 227 Ų | 227 | 154.4 Ų | 154.4 | 89% | 0.89 | 83% | 0.827 | S | S | * | * | -163.1 | 141.6 | 113.1 | 77.7 | -80.3 | 0 | 0 | 0 | 113.6 | |||||
| 44 | G | 34 | Very low | 35.7 | Very low | 70 Ų | 70 | 158.2 Ų | 158.2 | 72% | 0.722 | 83% | 0.831 | S | S | * | * | trans | 85.8 | 82.2 | 135.3 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 45 | G | 30.9 | Very low | 35.7 | Very low | 85 Ų | 85 | 156.6 Ų | 156.6 | 88% | 0.876 | 82% | 0.821 | S | S | * | * | 83.5 | 120.4 | 127.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 46 | Q | 39 | Very low | 35.7 | Very low | 194 Ų | 194 | 155 Ų | 155 | 91% | 0.907 | 82% | 0.82 | S | S | * | * | trans | -80.5 | 139.3 | 169.7 | -57.2 | 172.4 | -58.5 | 0 | 0 | 112 | ||||
| 47 | R | 39.7 | Very low | 35.6 | Very low | 253 Ų | 253 | 152.3 Ų | 152.3 | 96% | 0.955 | 81% | 0.812 | S | S | * | * | trans | -148.7 | 148.4 | 148.7 | -68.5 | -160.9 | -178.9 | -110.2 | -6.5 | 110.9 | ||||
| 48 | S | 35.5 | Very low | 35.6 | Very low | 102 Ų | 102 | 148.9 Ų | 148.9 | 71% | 0.713 | 81% | 0.81 | S | S | * | * | trans | -80 | 164.9 | -174.2 | 42 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 49 | M | 40 | Very low | 35.7 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 83% | 0.833 | 80% | 0.804 | S | S | * | * | trans | -102.4 | 6.6 | -169.9 | -150.3 | -169.3 | -167.7 | 0 | 0 | 114.5 | S51 | M49-S51 PolarHBondContact O-N 3.49Š| ||
| 50 | E | 37.3 | Very low | 35.8 | Very low | 167 Ų | 167 | 148.7 Ų | 148.7 | 78% | 0.78 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 79.6 | 173.5 | -74.1 | 76.8 | -169.9 | 0 | 0 | 112.5 | ||
| 51 | S | 37.9 | Very low | 36 | Very low | 98 Ų | 98 | 146.4 Ų | 146.4 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157 | 4.6 | 168.2 | 47.2 | 0 | 0 | 0 | 0 | 117 | M49 | M49-S51 PolarHBondContact O-N 3.49Š|
| 52 | Y | 38.4 | Very low | 36.4 | Very low | 212 Ų | 212 | 152.3 Ų | 152.3 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -105.1 | 23.6 | -171.5 | -89.4 | -79.6 | 0 | 0 | 0 | 116.3 | ||
| 53 | L | 39 | Very low | 36.4 | Very low | 173 Ų | 173 | 152.5 Ų | 152.5 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -133.5 | 21.2 | -170.8 | -113.4 | 157.4 | 0 | 0 | 0 | 116.1 | ||
| 54 | N | 37.7 | Very low | 36.1 | Very low | 149 Ų | 149 | 145.6 Ų | 145.6 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | -150.7 | 93.7 | 166.1 | -147.9 | -4.3 | 0 | 0 | 0 | 113.2 | ||||
| 55 | Q | 33.1 | Very low | 35.8 | Very low | 153 Ų | 153 | 146.1 Ų | 146.1 | 72% | 0.715 | 81% | 0.813 | S | S | * | * | trans | -150.6 | 104.4 | 158.6 | -140.1 | 154.9 | 93.4 | 0 | 0 | 111.4 | Y57 | Q55-Y57 HydrophobicContact CB-CE2 4.28Å; Q55-Y57 HydrophobicContact CG-CD2 4.38Å; Q55-Y57 HydrophobicContact CG-CE2 3.66Å; Q55-Y57 PolarHBondContact OE1-OH 3.06Å | ||
| 56 | S | 37.5 | Very low | 35.8 | Very low | 107 Ų | 107 | 146.2 Ų | 146.2 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | trans | -75.3 | 125.4 | 171.8 | 49.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 57 | Y | 34.7 | Very low | 35.3 | Very low | 196 Ų | 196 | 140.9 Ų | 140.9 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -129.9 | 108.3 | 162.8 | -73.6 | -74.3 | 0 | 0 | 0 | 109.8 | Q55 | Q55-Y57 HydrophobicContact CB-CE2 4.28Å; Q55-Y57 HydrophobicContact CG-CD2 4.38Å; Q55-Y57 HydrophobicContact CG-CE2 3.66Å; Q55-Y57 PolarHBondContact OE1-OH 3.06Å | ||
| 58 | G | 34.4 | Very low | 35.1 | Very low | 68 Ų | 68 | 132.4 Ų | 132.4 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | trans | -105 | 130.8 | 152.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 59 | M | 34.1 | Very low | 35.3 | Very low | 167 Ų | 167 | 132.9 Ų | 132.9 | 82% | 0.823 | 81% | 0.805 | S | S | * | * | trans | -160.6 | 136.8 | 140.6 | -99.6 | -36.9 | 177.5 | 0 | 0 | 113.5 | ||||
| 60 | D | 32.4 | Very low | 35.4 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | trans | 75.8 | 132.5 | 144.2 | -62.6 | -45.3 | 0 | 0 | 0 | 124.9 | ||||
| 61 | N | 38.4 | Very low | 35.3 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | trans | -82.5 | 134.5 | 174 | -71.9 | -80 | 0 | 0 | 0 | 111.4 | ||||
| 62 | H | 38.6 | Very low | 35.1 | Very low | 196 Ų | 196 | 136.9 Ų | 136.9 | 91% | 0.907 | 82% | 0.816 | S | S | * | * | trans | -137.1 | 149.2 | 149.5 | -82.5 | -33.7 | 0 | 0 | 0 | 112.4 | ||||
| 63 | S | 34.9 | Very low | 35 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | trans | -91.9 | 149.1 | -167.2 | -67.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 64 | G | 31.1 | Very low | 34.5 | Very low | 82 Ų | 82 | 135.1 Ų | 135.1 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | 108.2 | 152.3 | 133.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 65 | G | 28 | Very low | 34.3 | Very low | 82 Ų | 82 | 134.7 Ų | 134.7 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | 106.4 | 100 | 164 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 66 | G | 30.4 | Very low | 34.2 | Very low | 87 Ų | 87 | 132.3 Ų | 132.3 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | trans | -81.6 | 159.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 67 | G | 29.1 | Very low | 33.9 | Very low | 81 Ų | 81 | 137.8 Ų | 137.8 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | -163.8 | 87.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 68 | G | 35.5 | Very low | 33.7 | Very low | 75 Ų | 75 | 134.6 Ų | 134.6 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | -86.6 | 130.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 69 | S | 38.2 | Very low | 34 | Very low | 112 Ų | 112 | 136 Ų | 136 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | -139.7 | 94 | 165.3 | -70.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 70 | R | 43.4 | Very low | 34 | Very low | 238 Ų | 238 | 137.9 Ų | 137.9 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | 56.9 | 70.1 | 85 | -68.1 | -168.4 | 177.2 | -135.8 | 1.5 | 114.4 | |||||
| 71 | F | 34.7 | Very low | 34.2 | Very low | 215 Ų | 215 | 136.9 Ų | 136.9 | 94% | 0.943 | 81% | 0.811 | S | S | * | * | trans | -132.9 | 131 | 140 | -87 | -81.8 | 0 | 0 | 0 | 108.9 | ||||
| 72 | G | 33.1 | Very low | 34.4 | Very low | 66 Ų | 66 | 135.2 Ų | 135.2 | 68% | 0.68 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 166.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 73 | P | 37.3 | Very low | 34.3 | Very low | 137 Ų | 137 | 134.2 Ų | 134.2 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 133.6 | -176.7 | 31.1 | -33.9 | 0 | 0 | 0 | 110.9 | ||
| 74 | Y | 28.6 | Very low | 34.3 | Very low | 210 Ų | 210 | 131.6 Ų | 131.6 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 143.1 | 170.7 | -174.2 | -101.5 | 0 | 0 | 0 | 111.6 | ||
| 75 | E | 31.8 | Very low | 34.8 | Very low | 140 Ų | 140 | 131.8 Ų | 131.8 | 65% | 0.654 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 132.5 | -167.1 | -67.6 | 163.6 | 130.6 | 0 | 0 | 115.4 | ||
| 76 | S | 32.3 | Very low | 35.3 | Very low | 103 Ų | 103 | 138.8 Ų | 138.8 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | trans | 24.8 | 122.7 | 139.1 | 60.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 77 | Y | 31 | Very low | 35.9 | Very low | 222 Ų | 222 | 141.9 Ų | 141.9 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | trans | -117.2 | 97.2 | 142.6 | -110 | -91.4 | 0 | 0 | 0 | 110 | ||||
| 78 | D | 30.5 | Very low | 37.1 | Very low | 129 Ų | 129 | 146.2 Ų | 146.2 | 69% | 0.69 | 81% | 0.808 | S | S | * | * | trans | -77.3 | 126 | 158.3 | 174.4 | 15.8 | 0 | 0 | 0 | 107.7 | ||||
| 79 | S | 40.9 | Very low | 37.2 | Very low | 99 Ų | 99 | 152 Ų | 152 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | trans | -150.3 | 96 | 171.6 | -79.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 80 | R | 33.2 | Very low | 37.5 | Very low | 206 Ų | 206 | 157.7 Ų | 157.7 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | trans | -66.7 | 144.8 | 179.4 | -60.6 | 161.1 | 59.8 | 146.2 | 3.6 | 112.6 | ||||
| 81 | S | 37.2 | Very low | 37.1 | Very low | 115 Ų | 115 | 151.6 Ų | 151.6 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | 60.4 | 99.9 | 141.5 | -54.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 82 | S | 41.8 | Very low | 37 | Very low | 115 Ų | 115 | 145.1 Ų | 145.1 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -126 | 93.8 | 158 | 60.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 83 | L | 37.9 | Very low | 37 | Very low | 175 Ų | 175 | 153 Ų | 153 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | trans | 58.8 | 98.7 | 143 | -53.4 | 177.4 | 0 | 0 | 0 | 120.7 | ||||
| 84 | G | 34.8 | Very low | 36.7 | Very low | 75 Ų | 75 | 150 Ų | 150 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | 66.2 | 78.4 | 119.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | R86 | G84-R86 PolarHBondContact O-N 3.37Š| |||
| 85 | G | 40.2 | Very low | 36.9 | Very low | 86 Ų | 86 | 149.6 Ų | 149.6 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | trans | -61.4 | 116.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 86 | R | 39.4 | Very low | 36.9 | Very low | 228 Ų | 228 | 150 Ų | 150 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -86.8 | 135.3 | 164.4 | -77.7 | 176 | 166.6 | 167.1 | -4.9 | 108.5 | G84 L88 | G84-R86 PolarHBondContact O-N 3.37Å; R86-L88 PolarHBondContact O-N 3.03Å | ||
| 87 | D | 43.1 | Very low | 36.9 | Very low | 152 Ų | 152 | 153.1 Ų | 153.1 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | trans | -59.5 | 108.9 | -179.4 | -66.7 | -50.5 | 0 | 0 | 0 | 112.3 | Y89 | D87-Y89 PolarHBondContact O-N 3.33Š| ||
| 88 | L | 53.5 | Low | 37.2 | Very low | 173 Ų | 173 | 147.9 Ų | 147.9 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 5.7 | 177.2 | -70.2 | 171.9 | 0 | 0 | 0 | 113.8 | R86 | R86-L88 PolarHBondContact O-N 3.03Š|
| 89 | Y | 38.8 | Very low | 37.4 | Very low | 196 Ų | 196 | 149.1 Ų | 149.1 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | 19.2 | -176 | -109.7 | -92.6 | 0 | 0 | 0 | 114.8 | D87 K387 | D87-Y89 PolarHBondContact O-N 3.33Å; Y89-K387 PolarHBondContact OH-NZ 2.98Å; Y89-K387 VanDerWaalsContact OH-NZ 3.1Å |
| 90 | R | 43.1 | Very low | 37 | Very low | 231 Ų | 231 | 153.4 Ų | 153.4 | 87% | 0.872 | 82% | 0.822 | S | S | * | * | trans | -129.4 | 66.4 | 174.8 | -158.7 | 174.1 | -136.7 | -96.8 | -2.2 | 114 | ||||
| 91 | S | 35.7 | Very low | 36.9 | Very low | 110 Ų | 110 | 148.3 Ų | 148.3 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -130 | 108 | 156.8 | -95.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 92 | G | 32.5 | Very low | 36.8 | Very low | 80 Ų | 80 | 154.5 Ų | 154.5 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | -85.2 | 123.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | G94 | G92-G94 PolarHBondContact O-N 3.43Š| ||
| 93 | Y | 32.9 | Very low | 36.1 | Very low | 230 Ų | 230 | 159.1 Ų | 159.1 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | trans | -84.4 | 87.7 | 166.8 | -86.8 | -90.5 | 0 | 0 | 0 | 109.7 | F95 | Y93-F95 PolarHBondContact O-N 2.93Š| ||
| 94 | G | 32 | Very low | 35.7 | Very low | 76 Ų | 76 | 154.5 Ų | 154.5 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | trans | -80.8 | 103.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110 | G92 N96 | G92-G94 PolarHBondContact O-N 3.43Å; G94-N96 PolarHBondContact O-N 2.92Å | ||
| 95 | F | 32.6 | Very low | 35.5 | Very low | 201 Ų | 201 | 154.5 Ų | 154.5 | 88% | 0.882 | 82% | 0.824 | S | S | * | * | trans | -78.6 | 98.3 | 178.6 | -168.5 | -86.6 | 0 | 0 | 0 | 110.6 | Y93 | Y93-F95 PolarHBondContact O-N 2.93Š| ||
| 96 | N | 32.3 | Very low | 34.8 | Very low | 149 Ų | 149 | 155.8 Ų | 155.8 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | trans | -169.5 | 100.8 | 151.2 | -107.2 | -34.9 | 0 | 0 | 0 | 111 | G94 | G94-N96 PolarHBondContact O-N 2.92Š| ||
| 97 | E | 31.2 | Very low | 34.3 | Very low | 167 Ų | 167 | 155.6 Ų | 155.6 | 78% | 0.78 | 82% | 0.821 | S | S | * | * | trans | -98.2 | 127.1 | 168.3 | 174.4 | 176.6 | -153.1 | 0 | 0 | 109 | ||||
| 98 | P | 37.9 | Very low | 33.8 | Very low | 113 Ų | 113 | 151.9 Ų | 151.9 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | trans | -104 | 110 | 155.6 | 31.5 | -22.8 | 0 | 0 | 0 | 109.2 | Q100 | P98-Q100 PolarHBondContact O-N 3.03Š| ||
| 99 | E | 34 | Very low | 32.7 | Very low | 155 Ų | 155 | 147 Ų | 147 | 72% | 0.724 | 81% | 0.809 | S | S | * | * | trans | -51.3 | 140.1 | 168.6 | -85.1 | -155.3 | 149.4 | 0 | 0 | 110.9 | ||||
| 100 | Q | 33.2 | Very low | 32.5 | Very low | 189 Ų | 189 | 147.6 Ų | 147.6 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -120 | 67 | 172.2 | -155.5 | 115.6 | 97.6 | 0 | 0 | 110.9 | P98 | P98-Q100 PolarHBondContact O-N 3.03Š| ||
| 101 | S | 30.8 | Very low | 31.9 | Very low | 99 Ų | 99 | 144.4 Ų | 144.4 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | trans | -81.3 | 145.6 | 166.1 | 64.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 102 | R | 36 | Very low | 31.7 | Very low | 244 Ų | 244 | 146.6 Ų | 146.6 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -92.9 | 115.9 | -167.2 | -56.5 | 174.8 | -176.6 | -173.8 | 0.8 | 112 | ||||
| 103 | F | 27.1 | Very low | 31.5 | Very low | 212 Ų | 212 | 148.8 Ų | 148.8 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | trans | -164.4 | 131.8 | 150.7 | -142.8 | -101 | 0 | 0 | 0 | 114.2 | ||||
| 104 | G | 29.5 | Very low | 31.4 | Very low | 78 Ų | 78 | 141.5 Ų | 141.5 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 63.1 | 145.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 105 | G | 29 | Very low | 31.3 | Very low | 75 Ų | 75 | 148.8 Ų | 148.8 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | cis | 139.7 | 108.9 | 2.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 106 | S | 27.1 | Very low | 31.3 | Very low | 114 Ų | 114 | 150.3 Ų | 150.3 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | 76.4 | 125.2 | 157.5 | -147.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 107 | Y | 28.1 | Very low | 31.4 | Very low | 224 Ų | 224 | 150.2 Ų | 150.2 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | trans | 103.4 | 120.4 | 133.1 | -129.3 | -100.1 | 0 | 0 | 0 | 121.5 | ||||
| 108 | G | 32 | Very low | 31.2 | Very low | 74 Ų | 74 | 146.7 Ų | 146.7 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | trans | 81.4 | 120.4 | 155.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 109 | G | 31.8 | Very low | 30.8 | Very low | 69 Ų | 69 | 148 Ų | 148 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | cis | 131.6 | 118.4 | -8.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 110 | R | 34.2 | Very low | 30.8 | Very low | 209 Ų | 209 | 146.6 Ų | 146.6 | 79% | 0.789 | 78% | 0.783 | S | S | * | * | trans | 68.9 | 157.4 | 170.3 | -36.5 | -177.7 | -174.9 | -151.5 | 2.4 | 116.3 | ||||
| 111 | F | 30.6 | Very low | 31.1 | Very low | 164 Ų | 164 | 141.8 Ų | 141.8 | 72% | 0.719 | 77% | 0.77 | S | S | * | * | cis | -121.3 | 141.5 | -8.7 | -87.2 | -97.7 | 0 | 0 | 0 | 106.9 | ||||
| 112 | E | 31.9 | Very low | 31.3 | Very low | 156 Ų | 156 | 147.3 Ų | 147.3 | 73% | 0.729 | 78% | 0.782 | S | S | * | * | cis | 78.2 | 95.5 | 38.8 | -164.1 | 161.1 | -145.9 | 0 | 0 | 114 | ||||
| 113 | S | 28.3 | Very low | 31.4 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 88% | 0.881 | 78% | 0.776 | S | S | * | * | trans | -117.2 | 95.9 | 160.7 | -138.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 114 | S | 29.6 | Very low | 31.6 | Very low | 78 Ų | 78 | 132.7 Ų | 132.7 | 55% | 0.545 | 77% | 0.767 | S | S | . | * | trans | -58.1 | 147.3 | 154.2 | 43.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 115 | Y | 31 | Very low | 31.9 | Very low | 229 Ų | 229 | 140.1 Ų | 140.1 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | -139.1 | 145.1 | 62.1 | -94 | -97.2 | 0 | 0 | 0 | 114.3 | |||||
| 116 | R | 32.3 | Very low | 32.3 | Very low | 233 Ų | 233 | 141.9 Ų | 141.9 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | trans | -95.8 | 145.4 | 176.9 | -141 | -172.3 | -168.5 | -157.6 | 5.9 | 110.1 | ||||
| 117 | N | 32.9 | Very low | 32.8 | Very low | 146 Ų | 146 | 145 Ų | 145 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | trans | 78.3 | 122.6 | 141.7 | -159.4 | 52.6 | 0 | 0 | 0 | 119.6 | ||||
| 118 | S | 28.1 | Very low | 33 | Very low | 94 Ų | 94 | 138.2 Ų | 138.2 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | -169.8 | 125.6 | 115.6 | -164.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 119 | L | 29 | Very low | 32.8 | Very low | 139 Ų | 139 | 138.1 Ų | 138.1 | 73% | 0.728 | 76% | 0.762 | S | S | * | * | trans | 60.1 | 140.4 | 168.9 | -86.2 | 41.3 | 0 | 0 | 0 | 117.2 | ||||
| 120 | D | 35.3 | Very low | 33.2 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 67% | 0.674 | 77% | 0.769 | S | S | * | * | cis | -151.4 | 135.4 | -18.3 | -126.5 | 7.2 | 0 | 0 | 0 | 109.1 | ||||
| 121 | S | 38 | Very low | 33 | Very low | 89 Ų | 89 | 136.1 Ų | 136.1 | 62% | 0.622 | 77% | 0.769 | S | S | * | * | 58.5 | 95.2 | 92.6 | -53.8 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 122 | F | 35 | Very low | 33.1 | Very low | 214 Ų | 214 | 139.7 Ų | 139.7 | 94% | 0.939 | 78% | 0.778 | S | S | * | * | -171.8 | 131.9 | 110.9 | -116.2 | -86.5 | 0 | 0 | 0 | 111.9 | |||||
| 123 | G | 38.1 | Very low | 33 | Very low | 78 Ų | 78 | 141.5 Ų | 141.5 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 51.8 | 110.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 124 | G | 32.1 | Very low | 33.2 | Very low | 72 Ų | 72 | 139.5 Ų | 139.5 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | cis | 115.6 | 91 | 27.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 125 | R | 35.5 | Very low | 33.6 | Very low | 233 Ų | 233 | 141.8 Ų | 141.8 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | trans | 37.9 | 140.8 | 133.2 | -64.1 | -174.2 | 178.1 | -169 | -1.5 | 118.9 | ||||
| 126 | N | 37.5 | Very low | 33.6 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 60% | 0.599 | 79% | 0.789 | S | S | * | * | cis | -162.9 | 139.8 | 7.5 | -111 | -7.6 | 0 | 0 | 0 | 107.3 | ||||
| 127 | Q | 37.6 | Very low | 33.7 | Very low | 179 Ų | 179 | 135.6 Ų | 135.6 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | 60.4 | 137.3 | 94.6 | -69.4 | -165.2 | 75.9 | 0 | 0 | 117.5 | |||||
| 128 | G | 31.6 | Very low | 33.6 | Very low | 83 Ų | 83 | 140.6 Ų | 140.6 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | 97.4 | 132.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 129 | G | 28.1 | Very low | 33.7 | Very low | 72 Ų | 72 | 141 Ų | 141 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | cis | 163 | 152 | 1.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | S131 | G129-S131 PolarHBondContact O-N 3.09Š| ||
| 130 | S | 40.4 | Very low | 33.9 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -60.1 | 126.8 | 177.3 | 49.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 131 | S | 29.8 | Very low | 33.8 | Very low | 114 Ų | 114 | 146 Ų | 146 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | -122.9 | 140.3 | 154.1 | 68 | 0 | 0 | 0 | 0 | 109.5 | G129 | G129-S131 PolarHBondContact O-N 3.09Š| ||
| 132 | W | 32.1 | Very low | 33.4 | Very low | 240 Ų | 240 | 153.1 Ų | 153.1 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | trans | -76.4 | 174.8 | -179.5 | -78.6 | 74 | 0 | 0 | 0 | 112.7 | ||||
| 133 | E | 30.1 | Very low | 33.6 | Very low | 193 Ų | 193 | 148.3 Ų | 148.3 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | 83.8 | 135 | 172.1 | -60.4 | -168.4 | 114.2 | 0 | 0 | 118.7 | ||||
| 134 | A | 33.5 | Very low | 33.4 | Very low | 85 Ų | 85 | 148.1 Ų | 148.1 | 70% | 0.702 | 81% | 0.813 | S | S | * | * | trans | -116.4 | 139.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 135 | P | 38 | Very low | 33.3 | Very low | 125 Ų | 125 | 154.1 Ų | 154.1 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | trans | -86.4 | 141 | 164 | 33.2 | -30.3 | 0 | 0 | 0 | 111 | ||||
| 136 | Y | 30.9 | Very low | 33.4 | Very low | 220 Ų | 220 | 151.9 Ų | 151.9 | 86% | 0.863 | 82% | 0.821 | S | S | * | * | trans | -68.5 | 148.8 | -172.8 | -75.1 | -96 | 0 | 0 | 0 | 115.3 | ||||
| 137 | S | 33.9 | Very low | 33.5 | Very low | 113 Ų | 113 | 154.9 Ų | 154.9 | 79% | 0.79 | 83% | 0.832 | S | S | * | * | trans | 56.9 | 105.4 | 139.4 | -59.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 138 | R | 31.5 | Very low | 33.2 | Very low | 250 Ų | 250 | 152.8 Ų | 152.8 | 94% | 0.943 | 83% | 0.826 | S | S | * | * | trans | -144.4 | 135.1 | 130.4 | -155.8 | 168.3 | -172.4 | 173.9 | 3.5 | 113.4 | ||||
| 139 | S | 29.6 | Very low | 33.3 | Very low | 102 Ų | 102 | 160.6 Ų | 160.6 | 71% | 0.713 | 83% | 0.83 | S | S | * | * | trans | -86.6 | 143.8 | -172.9 | 47.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 140 | K | 34.3 | Very low | 33.5 | Very low | 208 Ų | 208 | 159.7 Ų | 159.7 | 90% | 0.904 | 82% | 0.82 | S | S | * | * | trans | -149.1 | 74.4 | 155.3 | -76.4 | -57.2 | -173.7 | 71 | 0 | 110.5 | ||||
| 141 | L | 32.9 | Very low | 33.3 | Very low | 162 Ų | 162 | 164 Ų | 164 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | trans | -86.6 | 139.2 | 156.7 | -75.6 | 172.9 | 0 | 0 | 0 | 108.9 | ||||
| 142 | R | 28.7 | Very low | 33.3 | Very low | 240 Ų | 240 | 165.5 Ų | 165.5 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | trans | -142.1 | 106.3 | 141.5 | -171.2 | 158.8 | -175.5 | 129.9 | 2.1 | 109.7 | ||||
| 143 | P | 40.3 | Very low | 33.4 | Very low | 112 Ų | 112 | 161.6 Ų | 161.6 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -67.5 | 166.7 | 171.8 | -19.6 | 33.8 | 0 | 0 | 0 | 112.5 | ||||
| 144 | G | 32.3 | Very low | 33.2 | Very low | 74 Ų | 74 | 163.3 Ų | 163.3 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | trans | -132.8 | 114.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 145 | F | 31.2 | Very low | 33.1 | Very low | 199 Ų | 199 | 163.9 Ų | 163.9 | 87% | 0.873 | 81% | 0.808 | S | S | * | * | trans | 69.6 | 80.7 | 141.6 | -154.3 | -98.8 | 0 | 0 | 0 | 119.5 | ||||
| 146 | M | 36.7 | Very low | 32.9 | Very low | 186 Ų | 186 | 162.8 Ų | 162.8 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | -148 | 114.5 | 138.6 | -91.4 | -139 | 112.2 | 0 | 0 | 110.7 | ||||
| 147 | E | 40.4 | Very low | 32.7 | Very low | 175 Ų | 175 | 163.4 Ų | 163.4 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -176.5 | 138.5 | 171.4 | -97.9 | 152.3 | -167.6 | 0 | 0 | 102.8 | ||||
| 148 | D | 31.4 | Very low | 32.3 | Very low | 134 Ų | 134 | 162.3 Ų | 162.3 | 72% | 0.717 | 80% | 0.799 | S | S | * | * | cis | -161.1 | 148.1 | -0.6 | -156.6 | -28.5 | 0 | 0 | 0 | 108.6 | G150 | D148-G150 PolarHBondContact OD1-N 3.3Š| ||
| 149 | R | 32.7 | Very low | 32.6 | Very low | 247 Ų | 247 | 155.6 Ų | 155.6 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | trans | -170.6 | 63.2 | 150.7 | -111.5 | -168.5 | -166.3 | 102.4 | 1.8 | 111 | ||||
| 150 | G | 32.6 | Very low | 32.5 | Very low | 53 Ų | 53 | 160.9 Ų | 160.9 | 55% | 0.546 | 80% | 0.8 | S | S | . | * | trans | -69.4 | 168.4 | 148.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D148 | D148-G150 PolarHBondContact OD1-N 3.3Š| ||
| 151 | R | 36.6 | Very low | 32.3 | Very low | 211 Ų | 211 | 156.3 Ų | 156.3 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | trans | 104.2 | 125.8 | 175.3 | -62.3 | -176.7 | 174.2 | -97.3 | -10.4 | 115.1 | ||||
| 152 | E | 30.7 | Very low | 32.3 | Very low | 146 Ų | 146 | 154.2 Ų | 154.2 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | cis | -160.6 | 157.4 | -3.2 | -126 | 149.7 | 178.6 | 0 | 0 | 111.1 | ||||
| 153 | N | 32.4 | Very low | 33.2 | Very low | 159 Ų | 159 | 148.3 Ų | 148.3 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | trans | -62.9 | 142.8 | 173.1 | -80.5 | -4.9 | 0 | 0 | 0 | 111.7 | ||||
| 154 | Y | 27.7 | Very low | 33.2 | Very low | 229 Ų | 229 | 151.4 Ų | 151.4 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | -140.7 | 133.6 | 139.7 | -146.5 | -94.2 | 0 | 0 | 0 | 110.2 | ||||
| 155 | S | 29.9 | Very low | 33.4 | Very low | 96 Ų | 96 | 155.9 Ų | 155.9 | 67% | 0.671 | 79% | 0.794 | S | S | * | * | trans | -104.6 | 136 | 179.7 | -170.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 156 | S | 33.6 | Very low | 34 | Very low | 103 Ų | 103 | 156.2 Ų | 156.2 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | trans | 51.2 | 108.1 | 157.8 | -58.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 157 | Y | 27.1 | Very low | 34.4 | Very low | 232 Ų | 232 | 153.3 Ų | 153.3 | 91% | 0.91 | 79% | 0.79 | S | S | * | * | trans | -142.7 | 160.4 | 133.3 | -137.5 | -97.3 | 0 | 0 | 0 | 111.8 | ||||
| 158 | S | 26.8 | Very low | 34.5 | Very low | 91 Ų | 91 | 149 Ų | 149 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | trans | -65.7 | 156.1 | -164.2 | 55.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 159 | S | 36.1 | Very low | 35.2 | Very low | 109 Ų | 109 | 148.9 Ų | 148.9 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | -38 | 134.7 | 165.1 | -41.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 160 | F | 28.4 | Very low | 35.6 | Very low | 212 Ų | 212 | 143.8 Ų | 143.8 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | trans | -160.8 | 138.1 | 137.3 | -101.7 | -69.3 | 0 | 0 | 0 | 110.6 | ||||
| 161 | S | 30.3 | Very low | 35.6 | Very low | 112 Ų | 112 | 144.6 Ų | 144.6 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | -80.9 | 149.5 | -169.7 | -45.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 162 | S | 32.2 | Very low | 36.3 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | 179.3 | 157.9 | 124.9 | -83.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 163 | P | 47.2 | Very low | 36.7 | Very low | 116 Ų | 116 | 145.2 Ų | 145.2 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | trans | -116.3 | 92.4 | -155.4 | 37.5 | -23.8 | 0 | 0 | 0 | 114.2 | ||||
| 164 | H | 40.1 | Very low | 36.8 | Very low | 178 Ų | 178 | 141 Ų | 141 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -153 | 107.3 | 167 | -106.4 | 30.3 | 0 | 0 | 0 | 111.9 | ||||
| 165 | M | 37.7 | Very low | 37.4 | Very low | 168 Ų | 168 | 142.3 Ų | 142.3 | 83% | 0.828 | 81% | 0.806 | S | S | * | * | trans | 161.3 | 99.1 | 145.6 | -87.5 | -46.8 | 96.9 | 0 | 0 | 109.1 | ||||
| 166 | K | 42.7 | Very low | 37.5 | Very low | 205 Ų | 205 | 141.2 Ų | 141.2 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 127.3 | 167.8 | -67.9 | -178.7 | 176.9 | -176.6 | 0 | 109 | ||
| 167 | P | 45 | Very low | 37.9 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 138.3 | 161.7 | 29.7 | -31.2 | 0 | 0 | 0 | 109.8 | ||
| 168 | A | 43.3 | Very low | 38.5 | Very low | 84 Ų | 84 | 138 Ų | 138 | 69% | 0.694 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 147.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 169 | P | 46.9 | Very low | 38.8 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 123.1 | 174.1 | 31.9 | -32.2 | 0 | 0 | 0 | 110.5 | ||
| 170 | V | 41.3 | Very low | 38.5 | Very low | 139 Ų | 139 | 143.8 Ų | 143.8 | 84% | 0.842 | 83% | 0.825 | S | S | * | * | trans | -117.7 | 119.4 | 174 | 179.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 171 | G | 32.8 | Very low | 39.2 | Very low | 71 Ų | 71 | 139.2 Ų | 139.2 | 73% | 0.732 | 82% | 0.817 | S | S | * | * | trans | -81.9 | 178.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 172 | S | 49.8 | Very low | 39.2 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | trans | -62.6 | 145 | -173.7 | 52.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 173 | R | 39.5 | Very low | 39.3 | Very low | 257 Ų | 257 | 141.5 Ų | 141.5 | 97% | 0.97 | 81% | 0.812 | S | S | * | * | trans | 163.7 | 137.9 | 149.4 | -86.7 | 147.9 | -168.7 | -177.6 | 6 | 106.7 | ||||
| 174 | G | 34 | Very low | 38.6 | Very low | 70 Ų | 70 | 142.9 Ų | 142.9 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | cis | 154.1 | 119.3 | -1.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 175 | R | 40.2 | Very low | 38.1 | Very low | 258 Ų | 258 | 144.1 Ų | 144.1 | 97% | 0.974 | 82% | 0.822 | S | S | * | * | trans | 37.9 | 123.4 | 170.5 | -60.7 | -171.6 | -172.5 | -81.3 | -0.6 | 119.9 | ||||
| 176 | G | 32.7 | Very low | 37.8 | Very low | 72 Ų | 72 | 138.5 Ų | 138.5 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | trans | 173.2 | 105.3 | 155.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | P178 | G176-P178 WeakPolarHBondContact O-CD 3.37Š| ||
| 177 | T | 41.9 | Very low | 37.4 | Very low | 145 Ų | 145 | 133.9 Ų | 133.9 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 122.8 | 167.9 | 41.4 | 0 | 0 | 0 | 0 | 110.6 | ||
| 178 | P | 40.4 | Very low | 36.9 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 124.7 | 168.2 | -4.9 | 24.2 | 0 | 0 | 0 | 109.9 | G176 | G176-P178 WeakPolarHBondContact O-CD 3.37Š|
| 179 | A | 31.5 | Very low | 36.5 | Very low | 95 Ų | 95 | 141.3 Ų | 141.3 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 139.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 180 | Y | 31.2 | Very low | 36 | Very low | 226 Ų | 226 | 144.4 Ų | 144.4 | 89% | 0.886 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 130.6 | 169.2 | -121.1 | -91.1 | 0 | 0 | 0 | 109.5 | ||
| 181 | P | 42 | Very low | 35.9 | Very low | 116 Ų | 116 | 144 Ų | 144 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 148.5 | 170.7 | 32 | -33.5 | 0 | 0 | 0 | 110.8 | ||
| 182 | E | 30.4 | Very low | 35.8 | Very low | 189 Ų | 189 | 144.7 Ų | 144.7 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 133.2 | -170.4 | -170.1 | 153 | -179.1 | 0 | 0 | 113.5 | ||
| 183 | S | 35.1 | Very low | 35 | Very low | 90 Ų | 90 | 149.8 Ų | 149.8 | 63% | 0.629 | 80% | 0.8 | S | S | * | * | trans | 54.9 | 125.1 | 150.8 | -167 | 0 | 0 | 0 | 0 | 122 | ||||
| 184 | T | 33.1 | Very low | 34.6 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -146.5 | 64.9 | 140.5 | 48.7 | 0 | 0 | 0 | 0 | 113.8 | ||
| 185 | F | 28.3 | Very low | 34.6 | Very low | 205 Ų | 205 | 141.1 Ų | 141.1 | 90% | 0.899 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -154.7 | 135.5 | 142 | -149.4 | -102.5 | 0 | 0 | 0 | 111.5 | ||
| 186 | G | 32.4 | Very low | 34.8 | Very low | 49 Ų | 49 | 135.2 Ų | 135.2 | 51% | 0.505 | 79% | 0.786 | S | S | . | * | trans | -95.2 | 155.1 | -160.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 187 | S | 33.3 | Very low | 35.1 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | 72 | 133.3 | 132.5 | -46.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 188 | R | 34.1 | Very low | 35.2 | Very low | 230 Ų | 230 | 137.2 Ų | 137.2 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | -153.3 | 132.4 | 51.3 | -72.2 | 166.5 | -172.2 | -160.4 | -0.6 | 108.8 | |||||
| 189 | N | 36.7 | Very low | 34.8 | Very low | 135 Ų | 135 | 134.5 Ų | 134.5 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | 63.8 | 135.5 | 85 | -75.1 | 14 | 0 | 0 | 0 | 114.3 | |||||
| 190 | Y | 35.1 | Very low | 35.1 | Very low | 198 Ų | 198 | 142 Ų | 142 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | cis | -151.6 | 169.2 | 16.7 | -141 | -85.4 | 0 | 0 | 0 | 113.2 | ||||
| 191 | D | 38.5 | Very low | 35.2 | Very low | 131 Ų | 131 | 134.8 Ų | 134.8 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | -64.6 | 165.5 | -174 | -53 | -96.1 | 0 | 0 | 0 | 119.3 | ||||
| 192 | A | 31.2 | Very low | 35.2 | Very low | 84 Ų | 84 | 141.1 Ų | 141.1 | 69% | 0.694 | 79% | 0.794 | S | S | * | * | trans | -166.5 | 99 | 142 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 193 | F | 33.9 | Very low | 35.4 | Very low | 219 Ų | 219 | 135.6 Ų | 135.6 | 96% | 0.961 | 79% | 0.788 | S | S | * | * | trans | 58.3 | 140.6 | 162.2 | -58.5 | -93.1 | 0 | 0 | 0 | 118 | ||||
| 194 | G | 30.8 | Very low | 35.7 | Very low | 70 Ų | 70 | 143.6 Ų | 143.6 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | cis | 145.6 | 131.1 | 13.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 195 | G | 33.5 | Very low | 35.6 | Very low | 75 Ų | 75 | 140.4 Ų | 140.4 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -66.6 | -179.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 196 | P | 44.3 | Very low | 36 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | -142.2 | 164.8 | 77.2 | 39.4 | -25.6 | 0 | 0 | 0 | 116.3 | |||||
| 197 | S | 38.8 | Very low | 36.1 | Very low | 114 Ų | 114 | 144 Ų | 144 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -84.1 | 138.3 | 172.2 | 52.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 198 | T | 43.6 | Very low | 36.1 | Very low | 144 Ų | 144 | 141.3 Ų | 141.3 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -143.1 | 139.4 | 141.4 | 62.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 199 | G | 32.9 | Very low | 36.5 | Very low | 66 Ų | 66 | 136.1 Ų | 136.1 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | cis | 128.6 | 72.8 | -4.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 200 | R | 37.8 | Very low | 36.2 | Very low | 252 Ų | 252 | 139.4 Ų | 139.4 | 95% | 0.951 | 80% | 0.796 | S | S | * | * | trans | -172.4 | 106.3 | 152.5 | -105.9 | 162.1 | -148.5 | -130.2 | 6.8 | 112.6 | ||||
| 201 | G | 34 | Very low | 36.1 | Very low | 75 Ų | 75 | 133.3 Ų | 133.3 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -114.3 | 140.9 | 154.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 202 | R | 41.8 | Very low | 35.8 | Very low | 249 Ų | 249 | 132.6 Ų | 132.6 | 94% | 0.94 | 80% | 0.798 | S | S | * | * | trans | -151 | 126.3 | 160.6 | -65.7 | -168.4 | 175 | -163.1 | -2.4 | 104.1 | ||||
| 203 | G | 34.3 | Very low | 36 | Very low | 73 Ų | 73 | 136.6 Ų | 136.6 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | 81.8 | 121.6 | 55 | 0 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 204 | R | 42.3 | Very low | 36 | Very low | 258 Ų | 258 | 134.3 Ų | 134.3 | 97% | 0.974 | 80% | 0.798 | S | S | * | * | cis | -149.5 | 175.1 | 35.1 | -46.5 | -179.2 | -176.8 | -150 | 0.1 | 109.7 | ||||
| 205 | G | 31.1 | Very low | 36 | Very low | 78 Ų | 78 | 142.5 Ų | 142.5 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | cis | -173.1 | -176 | 10.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 206 | H | 34.8 | Very low | 36.4 | Very low | 163 Ų | 163 | 144.1 Ų | 144.1 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | -110.7 | 148.3 | -164.7 | -170.2 | -67.2 | 0 | 0 | 0 | 110.4 | ||||
| 207 | M | 34.9 | Very low | 35.7 | Very low | 166 Ų | 166 | 141.4 Ų | 141.4 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -163.3 | 136.3 | 146.6 | -107.3 | -52.7 | 124.7 | 0 | 0 | 111.8 | ||||
| 208 | G | 33.8 | Very low | 35.7 | Very low | 52 Ų | 52 | 144 Ų | 144 | 54% | 0.536 | 80% | 0.804 | S | S | . | * | trans | 170.6 | 107.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 209 | D | 42.4 | Very low | 35.2 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 65% | 0.647 | 80% | 0.798 | S | S | * | * | trans | -142.8 | 151.7 | -178.4 | -93.4 | -49.1 | 0 | 0 | 0 | 110.7 | ||||
| 210 | F | 30.5 | Very low | 35.4 | Very low | 204 Ų | 204 | 145.4 Ų | 145.4 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | trans | 74.5 | 95.6 | 176.4 | -61.6 | -76.8 | 0 | 0 | 0 | 119.3 | ||||
| 211 | G | 31.9 | Very low | 35.2 | Very low | 70 Ų | 70 | 140.3 Ų | 140.3 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | 108.5 | 87.7 | 105.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | I213 | G211-I213 PolarHBondContact O-N 3.19Š| |||
| 212 | S | 32.4 | Very low | 35.1 | Very low | 116 Ų | 116 | 147.8 Ų | 147.8 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -66.7 | 127.7 | 162.1 | -68.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 213 | I | 35.8 | Very low | 34.8 | Very low | 168 Ų | 168 | 143.7 Ų | 143.7 | 86% | 0.862 | 79% | 0.789 | S | S | * | * | trans | -106.9 | 118.6 | 160.1 | -62.6 | 176.9 | 0 | 0 | 0 | 107.6 | G211 | G211-I213 PolarHBondContact O-N 3.19Š| ||
| 214 | H | 34.9 | Very low | 34.7 | Very low | 171 Ų | 171 | 148 Ų | 148 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | trans | -73.7 | 142.3 | 177.4 | -65.7 | -91.3 | 0 | 0 | 0 | 112 | ||||
| 215 | R | 29.9 | Very low | 34.4 | Very low | 243 Ų | 243 | 144.7 Ų | 144.7 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | trans | -153.5 | 161.2 | 145 | -104.3 | -159.2 | 171.1 | -144 | -4.3 | 110.2 | ||||
| 216 | P | 41.4 | Very low | 34.4 | Very low | 108 Ų | 108 | 145.9 Ų | 145.9 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | -111.6 | 166.5 | -126.3 | 38.2 | -29.4 | 0 | 0 | 0 | 114.1 | |||||
| 217 | G | 31.1 | Very low | 34.2 | Very low | 79 Ų | 79 | 143.7 Ų | 143.7 | 81% | 0.814 | 78% | 0.782 | S | S | * | * | trans | -69.7 | 149.8 | 171 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 218 | I | 37.5 | Very low | 34 | Very low | 167 Ų | 167 | 142.8 Ų | 142.8 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | -125.4 | 148.3 | 164.5 | -67.9 | -178.9 | 0 | 0 | 0 | 108 | ||||
| 219 | V | 33.5 | Very low | 34 | Very low | 126 Ų | 126 | 146.9 Ų | 146.9 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | trans | -86.4 | 139.7 | -166.6 | 161.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 220 | V | 37.2 | Very low | 33.6 | Very low | 114 Ų | 114 | 147.2 Ų | 147.2 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | trans | 26.6 | 123.9 | 144.3 | -173.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 221 | D | 32.9 | Very low | 33.9 | Very low | 146 Ų | 146 | 144.5 Ų | 144.5 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | -176 | 145.7 | 113.2 | -105.6 | -46.2 | 0 | 0 | 0 | 113.4 | |||||
| 222 | Y | 32.2 | Very low | 33.9 | Very low | 232 Ų | 232 | 145.8 Ų | 145.8 | 91% | 0.91 | 81% | 0.805 | S | S | * | * | trans | -91.1 | 109.3 | 171.5 | -111.9 | -97.8 | 0 | 0 | 0 | 109.1 | ||||
| 223 | Q | 36.9 | Very low | 34.3 | Very low | 163 Ų | 163 | 145.3 Ų | 145.3 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | -150.2 | 108.4 | 166.4 | -114.9 | 163.2 | 56.4 | 0 | 0 | 112.3 | K225 | Q223-K225 PolarHBondContact O-N 3.24Š| ||
| 224 | N | 32.1 | Very low | 34.2 | Very low | 164 Ų | 164 | 141.6 Ų | 141.6 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | trans | -70.9 | 122.6 | 170.6 | -109.7 | -20.4 | 0 | 0 | 0 | 110.1 | ||||
| 225 | K | 34.4 | Very low | 34.5 | Very low | 187 Ų | 187 | 145.7 Ų | 145.7 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | -156.5 | 147.5 | 157.3 | -98.9 | 127.9 | -173.5 | 179.6 | 0 | 110.7 | Q223 | Q223-K225 PolarHBondContact O-N 3.24Š| ||
| 226 | S | 31 | Very low | 34.5 | Very low | 103 Ų | 103 | 137.6 Ų | 137.6 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | trans | -69.7 | 145.6 | -176.6 | 46.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 227 | T | 30.8 | Very low | 34.6 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 72% | 0.724 | 81% | 0.812 | S | S | * | * | 171.3 | 135.2 | 106.3 | 41.5 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 228 | N | 32.3 | Very low | 34.8 | Very low | 146 Ų | 146 | 146.7 Ų | 146.7 | 78% | 0.781 | 82% | 0.815 | S | S | * | * | trans | 13.4 | 121.8 | 144.4 | -48.1 | -23.5 | 0 | 0 | 0 | 119 | ||||
| 229 | V | 32.7 | Very low | 35.4 | Very low | 138 Ų | 138 | 150.2 Ų | 150.2 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | 169 | 145.6 | 117.9 | 154.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 230 | T | 34.2 | Very low | 35.6 | Very low | 129 Ų | 129 | 154.5 Ų | 154.5 | 79% | 0.791 | 83% | 0.826 | S | S | * | * | trans | -62.1 | 135.1 | -179.7 | 51.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 231 | V | 36.1 | Very low | 35.4 | Very low | 146 Ų | 146 | 156.5 Ų | 156.5 | 89% | 0.885 | 83% | 0.83 | S | S | * | * | trans | -144.1 | 134.5 | 143.1 | -179 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 232 | A | 33.6 | Very low | 35.4 | Very low | 98 Ų | 98 | 157.9 Ų | 157.9 | 81% | 0.81 | 83% | 0.834 | S | S | * | * | trans | -91.4 | 145 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 233 | A | 39.3 | Very low | 35.7 | Very low | 105 Ų | 105 | 153.9 Ų | 153.9 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | trans | -152.2 | 104.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 234 | A | 34.8 | Very low | 35.8 | Very low | 91 Ų | 91 | 151.9 Ų | 151.9 | 75% | 0.752 | 82% | 0.824 | S | S | * | * | trans | -86.5 | 149.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 235 | R | 39.7 | Very low | 35.6 | Very low | 256 Ų | 256 | 152.7 Ų | 152.7 | 97% | 0.966 | 82% | 0.821 | S | S | * | * | trans | 176 | 131.7 | 150.3 | -91.1 | 141.3 | -169.9 | 161.1 | 3.9 | 107.6 | ||||
| 236 | G | 31.6 | Very low | 35.6 | Very low | 73 Ų | 73 | 149.7 Ų | 149.7 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | cis | 156.2 | 95.4 | -3.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 237 | I | 42 | Very low | 36.1 | Very low | 174 Ų | 174 | 152.9 Ų | 152.9 | 89% | 0.892 | 81% | 0.814 | S | S | * | * | trans | -103.6 | 130.7 | 175.6 | -64.6 | 177.4 | 0 | 0 | 0 | 109.6 | ||||
| 238 | K | 36.3 | Very low | 36.7 | Very low | 204 Ų | 204 | 152.9 Ų | 152.9 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | trans | -75 | 128.8 | -170.2 | -62.5 | 169.4 | -179.6 | 173.2 | 0 | 111.6 | ||||
| 239 | R | 49.3 | Very low | 36.3 | Very low | 241 Ų | 241 | 152.2 Ų | 152.2 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | trans | -125.6 | 144.3 | 153.6 | -79.8 | -168.3 | -83.6 | -179.6 | -6.6 | 110 | ||||
| 240 | K | 39.2 | Very low | 36.2 | Very low | 216 Ų | 216 | 149.1 Ų | 149.1 | 94% | 0.939 | 82% | 0.819 | S | S | * | * | trans | -69 | 142.7 | -176.3 | -71.4 | 179.3 | 178.4 | 176.1 | 0 | 110.3 | ||||
| 241 | M | 31.6 | Very low | 36.2 | Very low | 157 Ų | 157 | 148.8 Ų | 148.8 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | -87.9 | 129.1 | -169 | 176 | -177.4 | -178.9 | 0 | 0 | 111.6 | ||||
| 242 | M | 32.8 | Very low | 36.1 | Very low | 174 Ų | 174 | 150.3 Ų | 150.3 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | trans | -154.9 | 137.1 | 144.1 | -87 | -55.9 | 100.6 | 0 | 0 | 107.8 | ||||
| 243 | Q | 39.2 | Very low | 36.4 | Very low | 148 Ų | 148 | 151.7 Ų | 151.7 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | trans | -119 | 142 | -169.4 | -101.4 | -94.3 | -15.8 | 0 | 0 | 110.6 | ||||
| 244 | P | 39.8 | Very low | 36.2 | Very low | 121 Ų | 121 | 155.2 Ų | 155.2 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | trans | -118.5 | 115.3 | 150.6 | 32.7 | -21.1 | 0 | 0 | 0 | 111 | ||||
| 245 | F | 28 | Very low | 36.5 | Very low | 182 Ų | 182 | 160.3 Ų | 160.3 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | trans | -96.3 | 151 | 176.3 | -165.7 | -91.1 | 0 | 0 | 0 | 110.9 | ||||
| 246 | N | 33.6 | Very low | 36.8 | Very low | 123 Ų | 123 | 153.2 Ų | 153.2 | 66% | 0.658 | 79% | 0.793 | S | S | * | * | trans | -127.8 | 123.8 | -176.4 | -118 | -57.9 | 0 | 0 | 0 | 112.6 | ||||
| 247 | K | 41.1 | Very low | 36.8 | Very low | 171 Ų | 171 | 159.2 Ų | 159.2 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | trans | 73.2 | 164.9 | 153.6 | -59.8 | 165.6 | -174.9 | 176 | 0 | 117.2 | ||||
| 248 | P | 43.8 | Very low | 36.4 | Very low | 118 Ų | 118 | 159.7 Ų | 159.7 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | cis | -131.1 | 174.5 | 1.2 | 40.5 | -24.6 | 0 | 0 | 0 | 117 | ||||
| 249 | S | 25 | Very low | 36.2 | Very low | 132 Ų | 132 | 153.7 Ų | 153.7 | 92% | 0.923 | 79% | 0.79 | S | S | * | * | trans | 75.2 | 124.3 | 152.2 | -145.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 250 | G | 29.5 | Very low | 35.8 | Very low | 73 Ų | 73 | 152 Ų | 152 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | 164.8 | 97.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 251 | T | 34.9 | Very low | 35.6 | Very low | 122 Ų | 122 | 147.8 Ų | 147.8 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -57 | 148.9 | 177.1 | 44.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 252 | F | 32.5 | Very low | 35.8 | Very low | 178 Ų | 178 | 147 Ų | 147 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | 165 | 119.8 | 120.8 | -101.8 | -101.2 | 0 | 0 | 0 | 115 | |||||
| 253 | I | 40.9 | Very low | 35.9 | Very low | 126 Ų | 126 | 147.5 Ų | 147.5 | 65% | 0.646 | 78% | 0.78 | S | S | * | * | trans | 61.7 | 111.5 | 139.2 | -61.6 | -170.9 | 0 | 0 | 0 | 123.7 | ||||
| 254 | K | 35.4 | Very low | 36.1 | Very low | 179 Ų | 179 | 148.6 Ų | 148.6 | 78% | 0.778 | 78% | 0.783 | S | S | * | * | trans | 44.9 | 115.4 | 133.4 | -54.7 | 175.5 | -174.2 | 171.4 | 0 | 123.3 | ||||
| 255 | K | 40 | Very low | 36.2 | Very low | 198 Ų | 198 | 149.5 Ų | 149.5 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | 54.3 | 163.4 | 122.9 | -63.5 | -172.5 | 179.4 | -176.3 | 0 | 121.1 | |||||
| 256 | P | 47 | Very low | 36.5 | Very low | 108 Ų | 108 | 147.5 Ų | 147.5 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | cis | -140.6 | 176.3 | -46 | 42 | -25.3 | 0 | 0 | 0 | 115 | ||||
| 257 | K | 31.8 | Very low | 36.9 | Very low | 199 Ų | 199 | 149.1 Ų | 149.1 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | 39.4 | 125.9 | 148.2 | -69.7 | -179.5 | 177.8 | -175.8 | 0 | 121.7 | ||||
| 258 | L | 32.7 | Very low | 36.6 | Very low | 183 Ų | 183 | 148.4 Ų | 148.4 | 96% | 0.958 | 79% | 0.789 | S | S | * | * | trans | -155.4 | 153.2 | 130.5 | -113.7 | 149.4 | 0 | 0 | 0 | 110.3 | ||||
| 259 | A | 32.7 | Very low | 36.6 | Very low | 79 Ų | 79 | 152.6 Ų | 152.6 | 65% | 0.653 | 80% | 0.795 | S | S | * | * | trans | -142.2 | 140.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 260 | K | 39.6 | Very low | 37.2 | Very low | 204 Ų | 204 | 150.9 Ų | 150.9 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | trans | 68.6 | 150.7 | 161.6 | -71.9 | -177.2 | -178.8 | -176.7 | 0 | 114.7 | ||||
| 261 | P | 36.8 | Very low | 38 | Very low | 128 Ų | 128 | 153.3 Ų | 153.3 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | cis | -125.6 | 179.6 | 43.3 | 38.4 | -22.1 | 0 | 0 | 0 | 117.2 | ||||
| 262 | M | 35.8 | Very low | 38.3 | Very low | 140 Ų | 140 | 153.5 Ų | 153.5 | 69% | 0.69 | 79% | 0.787 | S | S | * | * | trans | -71.3 | 148.3 | 172.9 | -66 | 161.7 | 53 | 0 | 0 | 111.9 | K264 | M262-K264 HydrophobicContact CE-CD 4.2Å; M262-K264 HydrophobicContact CE-CG 3.95Å | ||
| 263 | E | 33.8 | Very low | 39 | Very low | 185 Ų | 185 | 155 Ų | 155 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -129 | 135.1 | 138.7 | -73.6 | -165.7 | 141.9 | 0 | 0 | 109.6 | ||||
| 264 | K | 43.6 | Very low | 39.3 | Very low | 172 Ų | 172 | 152.9 Ų | 152.9 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -93.4 | 119.3 | 174.5 | -70.1 | 173.3 | 171.8 | 176.6 | 0 | 108 | M262 | M262-K264 HydrophobicContact CE-CD 4.2Å; M262-K264 HydrophobicContact CE-CG 3.95Å | ||
| 265 | I | 41.9 | Very low | 39.9 | Very low | 139 Ų | 139 | 150.2 Ų | 150.2 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | -129.4 | 102.5 | 162.4 | -59.2 | -178.3 | 0 | 0 | 0 | 108.3 | L267 | I265-L267 HydrophobicContact CG2-CD1 3.89Å; I265-L267 PolarHBondContact O-N 3.49Å | ||
| 266 | N | 34.8 | Very low | 40.8 | Very low | 141 Ų | 141 | 145.4 Ų | 145.4 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | -72.5 | 120.9 | 167 | -64.1 | -39.3 | 0 | 0 | 0 | 108.1 | ||||
| 267 | L | 42 | Very low | 41.2 | Very low | 157 Ų | 157 | 148.5 Ų | 148.5 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -110 | 96.6 | 162.2 | -121 | 75.7 | 0 | 0 | 0 | 108.5 | I265 K269 | I265-L267 HydrophobicContact CG2-CD1 3.89Å; I265-L267 PolarHBondContact O-N 3.49Å; L267-K269 PolarHBondContact O-N 2.91Å | ||
| 268 | N | 35.1 | Very low | 42.5 | Very low | 156 Ų | 156 | 143.6 Ų | 143.6 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | trans | -62.3 | 107.4 | 171.8 | -67.2 | -12.6 | 0 | 0 | 0 | 108.5 | S270 | N268-S270 PolarHBondContact O-N 3.27Š| ||
| 269 | K | 42.2 | Very low | 44.3 | Very low | 205 Ų | 205 | 138.5 Ų | 138.5 | 89% | 0.891 | 73% | 0.727 | S | S | * | * | trans | -85.5 | 110.7 | 170.8 | -161.3 | 165 | -174.9 | 176.7 | 0 | 107.7 | L267 | L267-K269 PolarHBondContact O-N 2.91Š| ||
| 270 | S | 38.3 | Very low | 46.2 | Very low | 97 Ų | 97 | 139.2 Ų | 139.2 | 68% | 0.678 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 148.6 | -179.2 | 43.3 | 0 | 0 | 0 | 0 | 111.8 | N268 T272 | N268-S270 PolarHBondContact O-N 3.27Å; S270-T272 PolarHBondContact O-N 3.19Å |
| 271 | P | 45.4 | Very low | 47.7 | Very low | 123 Ų | 123 | 136 Ų | 136 | 80% | 0.799 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 121 | 172.4 | 28.5 | -32.9 | 0 | 0 | 0 | 109.2 | K273 | P271-K273 PolarHBondContact O-N 2.93Š|
| 272 | T | 42.3 | Very low | 49.6 | Very low | 127 Ų | 127 | 135.1 Ų | 135.1 | 78% | 0.779 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 124.8 | 163.1 | 40.7 | 0 | 0 | 0 | 0 | 108.1 | S270 T274 | S270-T272 PolarHBondContact O-N 3.19Å; T272-T274 PolarHBondContact O-N 2.76Å |
| 273 | K | 47.3 | Very low | 51.6 | Low | 208 Ų | 208 | 134.9 Ų | 134.9 | 90% | 0.904 | 69% | 0.685 | S | S | * | * | trans | -54 | 110.2 | 174.2 | -62.7 | 179.9 | 179.5 | -176.3 | 0 | 109.1 | P271 | P271-K273 PolarHBondContact O-N 2.93Š| ||
| 274 | T | 46.6 | Very low | 53.7 | Low | 82 Ų | 82 | 133.5 Ų | 133.5 | 50% | 0.503 | 67% | 0.672 | S | S | . | * | trans | -66 | 131.2 | 165.7 | 28.4 | 0 | 0 | 0 | 0 | 108.1 | T272 E279 | T272-T274 PolarHBondContact O-N 2.76Å; T274-E279 VanDerWaalsContact CB-OE1 3.23Å; T274-E279 WeakPolarHBondContact CB-OE1 3.4Å; T274-E279 PolarHBondContact OG1-OE1 3.06Å | ||
| 275 | D | 48.9 | Very low | 55.4 | Low | 124 Ų | 124 | 134.9 Ų | 134.9 | 66% | 0.663 | 67% | 0.672 | S | S | * | * | trans | -62.9 | 127.2 | 173.4 | -87.2 | -59 | 0 | 0 | 0 | 108.9 | K277 N278 E279 | D275-K277 PolarHBondContact O-N 3.43Å; D275-N278 PolarHBondContact O-N 3.06Å; D275-E279 PolarHBondContact O-N 3.13Å | ||
| 276 | P | 57.8 | Low | 57.1 | Low | 96 Ų | 96 | 132 Ų | 132 | 62% | 0.623 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -61.5 | -23.2 | -174.1 | 23.1 | -33.6 | 0 | 0 | 0 | 112.8 | E280 | P276-E280 WeakPolarHBondContact O-CB 3.45Å; P276-E280 PolarHBondContact O-N 3.36Å |
| 277 | K | 56.4 | Low | 59.3 | Low | 173 Ų | 173 | 131.5 Ų | 131.5 | 75% | 0.752 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -65.8 | -34.3 | 172.4 | -78.2 | -171.5 | 170 | -174.8 | 0 | 113.9 | D275 E281 | D275-K277 PolarHBondContact O-N 3.43Å; K277-E281 WeakPolarHBondContact O-CB 3.33Å; K277-E281 PolarHBondContact O-N 3.44Å |
| 278 | N | 59.3 | Low | 61.1 | Low | 96 Ų | 96 | 126.9 Ų | 126.9 | 51% | 0.513 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -74.5 | -39.4 | 179.6 | -169.8 | 37.7 | 0 | 0 | 0 | 110.6 | D275 E280 E281 E282 | D275-N278 PolarHBondContact O-N 3.06Å; N278-E280 VanDerWaalsContact C-N 3.35Å; N278-E281 PolarHBondContact O-N 3.36Å; N278-E282 VanDerWaalsContact O-CB 3.27Å; N278-E282 WeakPolarHBondContact O-CB 3.24Å; N278-E282 PolarHBondContact O-N 3.17Å |
| 279 | E | 70.1 | Confident | 63.3 | Low | 77 Ų | 77 | 128.9 Ų | 128.9 | 36% | 0.36 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65.5 | -36.6 | 173.2 | -66.8 | -174 | -175.7 | 0 | 0 | 112.4 | T274 D275 K283 | T274-E279 VanDerWaalsContact CB-OE1 3.23Å; T274-E279 WeakPolarHBondContact CB-OE1 3.4Å; T274-E279 PolarHBondContact OG1-OE1 3.06Å; D275-E279 PolarHBondContact O-N 3.13Å; E279-K283 WeakPolarHBondContact O-CB 3.49Å; E279-K283 WeakPolarHBondContact O-CG 3.12Å; E279-K283 PolarHBondContact O-N 3.01Å |
| 280 | E | 72.9 | Confident | 65.1 | Low | 93 Ų | 93 | 127 Ų | 127 | 44% | 0.435 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -68.8 | -40.5 | 175.1 | -161.3 | -166.9 | 151.9 | 0 | 0 | 111.9 | P276 N278 K283 R284 | P276-E280 WeakPolarHBondContact O-CB 3.45Å; P276-E280 PolarHBondContact O-N 3.36Å; N278-E280 VanDerWaalsContact C-N 3.35Å; E280-K283 PolarHBondContact O-N 3.08Å; E280-R284 WeakPolarHBondContact O-CB 2.86Å; E280-R284 VanDerWaalsContact O-CG 3.24Å; E280-R284 WeakPolarHBondContact O-CG 3.32Å; E280-R284 PolarHBondContact O-N 2.86Å; E280-R284 IonicContact OE1-CZ 2.66Å; E280-R284 VanDerWaalsContact OE1-CZ 3.27Å; E280-R284 IonicContact OE1-NE 3.62Å; E280-R284 PolarHBondContact OE1-NE 3.26Å; E280-R284 VanDerWaalsContact OE1-NE 3.11Å; E280-R284 IonicContact OE1-NH2 2.72Å; E280-R284 PolarHBondContact OE1-NH2 2.82Å |
| 281 | E | 71.2 | Confident | 67 | Low | 137 Ų | 137 | 125 Ų | 125 | 64% | 0.64 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.2 | -38.1 | 174.6 | -170.2 | 171.1 | 166.5 | 0 | 0 | 111.8 | K277 N278 R284 R285 | K277-E281 WeakPolarHBondContact O-CB 3.33Å; K277-E281 PolarHBondContact O-N 3.44Å; N278-E281 PolarHBondContact O-N 3.36Å; E281-R284 PolarHBondContact O-N 3.47Å; E281-R285 VanDerWaalsContact O-CB 3.3Å; E281-R285 WeakPolarHBondContact O-CB 3.04Å; E281-R285 PolarHBondContact O-N 3.47Å |
| 282 | E | 75.1 | Confident | 68.7 | Low | 110 Ų | 110 | 125.7 Ų | 125.7 | 51% | 0.514 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67 | -42.8 | 173.8 | -175.1 | 160.3 | -151 | 0 | 0 | 111.9 | N278 R285 I286 | N278-E282 VanDerWaalsContact O-CB 3.27Å; N278-E282 WeakPolarHBondContact O-CB 3.24Å; N278-E282 PolarHBondContact O-N 3.17Å; E282-R285 CarbonylContact O-C 3.59Å; E282-R285 WeakPolarHBondContact O-CB 3.27Å; E282-R285 PolarHBondContact O-N 3.36Å; E282-R285 VanDerWaalsContact O-N 3.12Å; E282-I286 HydrophobicContact CG-CD1 3.96Å; E282-I286 VanDerWaalsContact O-CG1 3.3Å; E282-I286 WeakPolarHBondContact O-CG1 3.47Å; E282-I286 PolarHBondContact O-N 3.33Å |
| 283 | K | 79.2 | Confident | 70.1 | Confident | 135 Ų | 135 | 124.2 Ų | 124.2 | 59% | 0.587 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -58.9 | -49 | 171.5 | -76.6 | 168.1 | -174.8 | 175 | 0 | 111.6 | E279 E280 R285 I286 E287 | E279-K283 WeakPolarHBondContact O-CB 3.49Å; E279-K283 WeakPolarHBondContact O-CG 3.12Å; E279-K283 PolarHBondContact O-N 3.01Å; E280-K283 PolarHBondContact O-N 3.08Å; K283-R285 PolarHBondContact O-N 2.89Å; K283-I286 PolarHBondContact O-N 3.12Å; K283-E287 VanDerWaalsContact O-CB 3.26Å; K283-E287 WeakPolarHBondContact O-CB 3.29Å; K283-E287 PolarHBondContact O-N 3.06Å |
| 284 | R | 77.1 | Confident | 71.4 | Confident | 156 Ų | 156 | 121.8 Ų | 121.8 | 59% | 0.589 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -59.7 | -31.5 | 174.5 | -71.6 | 167.9 | -177.6 | -124.7 | 7.5 | 112.3 | E280 E281 A288 | E280-R284 WeakPolarHBondContact O-CB 2.86Å; E280-R284 VanDerWaalsContact O-CG 3.24Å; E280-R284 WeakPolarHBondContact O-CG 3.32Å; E280-R284 PolarHBondContact O-N 2.86Å; E280-R284 IonicContact OE1-CZ 2.66Å; E280-R284 VanDerWaalsContact OE1-CZ 3.27Å; E280-R284 IonicContact OE1-NE 3.62Å; E280-R284 PolarHBondContact OE1-NE 3.26Å; E280-R284 VanDerWaalsContact OE1-NE 3.11Å; E280-R284 IonicContact OE1-NH2 2.72Å; E280-R284 PolarHBondContact OE1-NH2 2.82Å; E281-R284 PolarHBondContact O-N 3.47Å; R284-A288 WeakPolarHBondContact O-CB 3.34Å; R284-A288 PolarHBondContact O-N 2.85Å |
| 285 | R | 78.9 | Confident | 72.5 | Confident | 201 Ų | 201 | 124.7 Ų | 124.7 | 76% | 0.758 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -76.5 | -37.1 | 176.3 | -169.3 | 177.4 | -176 | -178 | 0.8 | 112.9 | E281 E282 K283 R289 | E281-R285 VanDerWaalsContact O-CB 3.3Å; E281-R285 WeakPolarHBondContact O-CB 3.04Å; E281-R285 PolarHBondContact O-N 3.47Å; E282-R285 CarbonylContact O-C 3.59Å; E282-R285 WeakPolarHBondContact O-CB 3.27Å; E282-R285 PolarHBondContact O-N 3.36Å; E282-R285 VanDerWaalsContact O-N 3.12Å; K283-R285 PolarHBondContact O-N 2.89Å; R285-R289 WeakPolarHBondContact O-CB 3.3Å; R285-R289 PolarHBondContact O-N 2.72Å |
| 286 | I | 78.4 | Confident | 73.4 | Confident | 78 Ų | 78 | 127.2 Ų | 127.2 | 40% | 0.4 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.2 | -45 | 172.3 | -69.3 | 163.4 | 0 | 0 | 0 | 109.8 | E282 K283 R289 R290 | E282-I286 HydrophobicContact CG-CD1 3.96Å; E282-I286 VanDerWaalsContact O-CG1 3.3Å; E282-I286 WeakPolarHBondContact O-CG1 3.47Å; E282-I286 PolarHBondContact O-N 3.33Å; K283-I286 PolarHBondContact O-N 3.12Å; I286-R289 CarbonylContact O-C 3.52Å; I286-R289 WeakPolarHBondContact O-CA 3.3Å; I286-R289 WeakPolarHBondContact O-CB 3.45Å; I286-R289 PolarHBondContact O-N 2.95Å; I286-R289 VanDerWaalsContact O-N 3.1Å; I286-R290 WeakPolarHBondContact O-CG 3.25Å; I286-R290 PolarHBondContact O-N 2.92Å |
| 287 | E | 80.1 | Confident | 73.7 | Confident | 130 Ų | 130 | 128.2 Ų | 128.2 | 61% | 0.607 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.4 | -45.7 | 175.4 | -171.1 | 176.5 | -158.9 | 0 | 0 | 111.2 | K283 R289 R290 E291 | K283-E287 VanDerWaalsContact O-CB 3.26Å; K283-E287 WeakPolarHBondContact O-CB 3.29Å; K283-E287 PolarHBondContact O-N 3.06Å; E287-R289 PolarHBondContact O-N 3.43Å; E287-R290 PolarHBondContact O-N 3.41Å; E287-E291 VanDerWaalsContact O-CB 3.23Å; E287-E291 WeakPolarHBondContact O-CB 3.45Å; E287-E291 PolarHBondContact O-N 3.23Å |
| 288 | A | 80.5 | Confident | 74.1 | Confident | 61 Ų | 61 | 124.7 Ų | 124.7 | 50% | 0.504 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.5 | -29.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R284 K292 | R284-A288 WeakPolarHBondContact O-CB 3.34Å; R284-A288 PolarHBondContact O-N 2.85Å; A288-K292 WeakPolarHBondContact O-CB 3.33Å; A288-K292 PolarHBondContact O-N 3.1Å |
| 289 | R | 80.4 | Confident | 74.3 | Confident | 198 Ų | 198 | 127 Ų | 127 | 75% | 0.747 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -73.2 | -45.8 | 172.9 | -172.2 | 177.1 | 179.6 | 173.1 | -1.3 | 111.3 | R285 I286 E287 K292 Q293 | R285-R289 WeakPolarHBondContact O-CB 3.3Å; R285-R289 PolarHBondContact O-N 2.72Å; I286-R289 CarbonylContact O-C 3.52Å; I286-R289 WeakPolarHBondContact O-CA 3.3Å; I286-R289 WeakPolarHBondContact O-CB 3.45Å; I286-R289 PolarHBondContact O-N 2.95Å; I286-R289 VanDerWaalsContact O-N 3.1Å; E287-R289 PolarHBondContact O-N 3.43Å; R289-K292 PolarHBondContact O-N 2.89Å; R289-Q293 PolarHBondContact O-N 3.37Å |
| 290 | R | 80.1 | Confident | 73.8 | Confident | 164 Ų | 164 | 126.5 Ų | 126.5 | 62% | 0.619 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61 | -44.7 | 174.9 | -72.6 | 178.5 | 175.9 | -174.7 | -2.5 | 111.4 | I286 E287 Q293 R294 | I286-R290 WeakPolarHBondContact O-CG 3.25Å; I286-R290 PolarHBondContact O-N 2.92Å; E287-R290 PolarHBondContact O-N 3.41Å; R290-Q293 CarbonylContact O-C 3.57Å; R290-Q293 WeakPolarHBondContact O-CB 3.44Å; R290-Q293 PolarHBondContact O-N 3.42Å; R290-Q293 VanDerWaalsContact O-N 3.17Å; R290-R294 PolarHBondContact O-N 2.98Å |
| 291 | E | 79.3 | Confident | 73.1 | Confident | 57 Ų | 57 | 123.8 Ų | 123.8 | 27% | 0.266 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.7 | -37.8 | 176.8 | 176.6 | 61.4 | -173.3 | 0 | 0 | 112.1 | E287 Q293 R294 R295 | E287-E291 VanDerWaalsContact O-CB 3.23Å; E287-E291 WeakPolarHBondContact O-CB 3.45Å; E287-E291 PolarHBondContact O-N 3.23Å; E291-Q293 VanDerWaalsContact C-N 3.3Å; E291-Q293 PolarHBondContact O-N 3.32Å; E291-R294 WeakPolarHBondContact O-CB 3.33Å; E291-R294 PolarHBondContact O-N 2.78Å; E291-R294 VanDerWaalsContact OE2-CD 3.31Å; E291-R294 WeakPolarHBondContact OE2-CD 3.46Å; E291-R294 IonicContact OE2-NH1 2.65Å; E291-R295 WeakPolarHBondContact O-CG 3.48Å; E291-R295 PolarHBondContact O-N 3.39Å; E291-R295 IonicContact OE1-CZ 2.74Å; E291-R295 IonicContact OE1-NE 3.27Å; E291-R295 PolarHBondContact OE1-NE 3.25Å; E291-R295 IonicContact OE1-NH2 3.72Å; E291-R295 PolarHBondContact OE1-NH2 3.49Å |
| 292 | K | 81.5 | Confident | 72.3 | Confident | 136 Ų | 136 | 124.7 Ų | 124.7 | 59% | 0.591 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.5 | -33.8 | 171.9 | -172.7 | 175.3 | -178.3 | -179.6 | 0 | 112.1 | A288 R289 R296 | A288-K292 WeakPolarHBondContact O-CB 3.33Å; A288-K292 PolarHBondContact O-N 3.1Å; R289-K292 PolarHBondContact O-N 2.89Å; K292-R296 WeakPolarHBondContact O-CG 3.47Å; K292-R296 PolarHBondContact O-N 3.03Å |
| 293 | Q | 70.7 | Confident | 71.3 | Confident | 97 Ų | 97 | 126.7 Ų | 126.7 | 45% | 0.453 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -72 | -40.7 | 173.3 | -169.4 | 176.7 | 5.3 | 0 | 0 | 111.5 | R289 R290 E291 R296 R297 | R289-Q293 PolarHBondContact O-N 3.37Å; R290-Q293 CarbonylContact O-C 3.57Å; R290-Q293 WeakPolarHBondContact O-CB 3.44Å; R290-Q293 PolarHBondContact O-N 3.42Å; R290-Q293 VanDerWaalsContact O-N 3.17Å; E291-Q293 VanDerWaalsContact C-N 3.3Å; E291-Q293 PolarHBondContact O-N 3.32Å; Q293-R296 WeakPolarHBondContact O-CB 3.31Å; Q293-R296 PolarHBondContact O-N 3.39Å; Q293-R297 WeakPolarHBondContact O-CG 3.45Å; Q293-R297 PolarHBondContact O-N 3.13Å |
| 294 | R | 75.1 | Confident | 69.8 | Low | 156 Ų | 156 | 126 Ų | 126 | 59% | 0.589 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -56 | -53.3 | 171.2 | -175.1 | -171.4 | 179.1 | 175.1 | 3 | 110.9 | R290 E291 R296 R297 E298 | R290-R294 PolarHBondContact O-N 2.98Å; E291-R294 WeakPolarHBondContact O-CB 3.33Å; E291-R294 PolarHBondContact O-N 2.78Å; E291-R294 VanDerWaalsContact OE2-CD 3.31Å; E291-R294 WeakPolarHBondContact OE2-CD 3.46Å; E291-R294 IonicContact OE2-NH1 2.65Å; R294-R296 PolarHBondContact O-N 3.21Å; R294-R297 CarbonylContact O-C 3.57Å; R294-R297 WeakPolarHBondContact O-CB 3.26Å; R294-R297 PolarHBondContact O-N 3.18Å; R294-E298 VanDerWaalsContact O-CB 3.26Å; R294-E298 WeakPolarHBondContact O-CB 3.47Å; R294-E298 PolarHBondContact O-N 3.28Å |
| 295 | R | 69.3 | Low | 68.8 | Low | 144 Ų | 144 | 120.1 Ų | 120.1 | 54% | 0.543 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.4 | -23.9 | 178.1 | -68.7 | 177.6 | -167.5 | -165.6 | 3.7 | 114 | E291 K299 | E291-R295 WeakPolarHBondContact O-CG 3.48Å; E291-R295 PolarHBondContact O-N 3.39Å; E291-R295 IonicContact OE1-CZ 2.74Å; E291-R295 IonicContact OE1-NE 3.27Å; E291-R295 PolarHBondContact OE1-NE 3.25Å; E291-R295 IonicContact OE1-NH2 3.72Å; E291-R295 PolarHBondContact OE1-NH2 3.49Å; R295-K299 WeakPolarHBondContact O-CB 3.44Å; R295-K299 WeakPolarHBondContact O-CG 3.17Å; R295-K299 PolarHBondContact O-N 3.08Å |
| 296 | R | 67.4 | Low | 67.6 | Low | 177 Ų | 177 | 115.2 Ų | 115.2 | 67% | 0.668 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -75.6 | -47 | 169.9 | -78.4 | 175.9 | 169.6 | -170.4 | -6.2 | 111.4 | K292 Q293 R294 E298 K299 N300 | K292-R296 WeakPolarHBondContact O-CG 3.47Å; K292-R296 PolarHBondContact O-N 3.03Å; Q293-R296 WeakPolarHBondContact O-CB 3.31Å; Q293-R296 PolarHBondContact O-N 3.39Å; R294-R296 PolarHBondContact O-N 3.21Å; R296-E298 VanDerWaalsContact C-N 3.31Å; R296-E298 PolarHBondContact O-N 3.44Å; R296-K299 PolarHBondContact O-N 2.82Å; R296-N300 WeakPolarHBondContact O-CB 3.18Å; R296-N300 PolarHBondContact O-N 3.07Å |
| 297 | R | 63.9 | Low | 66.6 | Low | 117 Ų | 117 | 113.2 Ų | 113.2 | 44% | 0.442 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59 | -43.3 | 175.8 | -73.4 | 173 | 169.1 | -164.8 | -11 | 111 | Q293 R294 N300 S301 R309 E499 | Q293-R297 WeakPolarHBondContact O-CG 3.45Å; Q293-R297 PolarHBondContact O-N 3.13Å; R294-R297 CarbonylContact O-C 3.57Å; R294-R297 WeakPolarHBondContact O-CB 3.26Å; R294-R297 PolarHBondContact O-N 3.18Å; R297-N300 PolarHBondContact O-N 3.17Å; R297-S301 PolarHBondContact O-N 3.13Å; R297-S301 PolarHBondContact O-OG 2.79Å; R297-S301 VanDerWaalsContact O-OG 3.09Å; R297-R309 PolarHBondContact O-NH2 2.87Å; R297-E499 IonicContact CZ-OE2 2.74Å; R297-E499 IonicContact NH1-OE2 3.03Å; R297-E499 IonicContact NH2-OE2 2.82Å; R297-E499 PolarHBondContact NH2-OE2 3.41Å |
| 298 | E | 64.9 | Low | 65.5 | Low | 98 Ų | 98 | 111.9 Ų | 111.9 | 46% | 0.458 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.2 | -48.4 | 178.9 | -171 | 169.3 | -150.5 | 0 | 0 | 111.9 | R294 R296 N300 S301 E302 | R294-E298 VanDerWaalsContact O-CB 3.26Å; R294-E298 WeakPolarHBondContact O-CB 3.47Å; R294-E298 PolarHBondContact O-N 3.28Å; R296-E298 VanDerWaalsContact C-N 3.31Å; R296-E298 PolarHBondContact O-N 3.44Å; E298-N300 PolarHBondContact O-N 2.98Å; E298-S301 VanDerWaalsContact CA-OG 3.31Å; E298-S301 WeakPolarHBondContact CA-OG 3.31Å; E298-S301 PolarHBondContact O-N 3.13Å; E298-S301 PolarHBondContact O-OG 3Å; E298-E302 VanDerWaalsContact O-CB 3.27Å; E298-E302 WeakPolarHBondContact O-CB 3.26Å; E298-E302 PolarHBondContact O-N 3.28Å |
| 299 | K | 64.3 | Low | 64.6 | Low | 145 Ų | 145 | 113.7 Ų | 113.7 | 63% | 0.63 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.3 | -28.6 | 172.6 | -76.1 | 179 | 178.4 | -164.3 | 0 | 113.8 | R295 R296 K303 | R295-K299 WeakPolarHBondContact O-CB 3.44Å; R295-K299 WeakPolarHBondContact O-CG 3.17Å; R295-K299 PolarHBondContact O-N 3.08Å; R296-K299 PolarHBondContact O-N 2.82Å; K299-K303 VanDerWaalsContact O-CB 3.23Å; K299-K303 WeakPolarHBondContact O-CB 3.4Å; K299-K303 PolarHBondContact O-N 3.38Å; K299-K303 VanDerWaalsContact O-N 3.1Å |
| 300 | N | 58.9 | Low | 63.8 | Low | 67 Ų | 67 | 105.8 Ų | 105.8 | 36% | 0.358 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -74.2 | -45.3 | 174.7 | -176.2 | -51.4 | 0 | 0 | 0 | 110.7 | R296 R297 E298 E302 K303 Y304 | R296-N300 WeakPolarHBondContact O-CB 3.18Å; R296-N300 PolarHBondContact O-N 3.07Å; R297-N300 PolarHBondContact O-N 3.17Å; E298-N300 PolarHBondContact O-N 2.98Å; N300-E302 VanDerWaalsContact C-N 3.32Å; N300-E302 PolarHBondContact O-N 3.3Å; N300-K303 PolarHBondContact O-N 3.01Å; N300-Y304 PolarHBondContact O-N 3.27Å; N300-Y304 VanDerWaalsContact O-N 3.17Å |
| 301 | S | 59.5 | Low | 63.5 | Low | 35 Ų | 35 | 98.4 Ų | 98.4 | 25% | 0.245 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -64.9 | -32.1 | 172.4 | 43.9 | 0 | 0 | 0 | 0 | 113.5 | R297 E298 G305 | R297-S301 PolarHBondContact O-N 3.13Å; R297-S301 PolarHBondContact O-OG 2.79Å; R297-S301 VanDerWaalsContact O-OG 3.09Å; E298-S301 VanDerWaalsContact CA-OG 3.31Å; E298-S301 WeakPolarHBondContact CA-OG 3.31Å; E298-S301 PolarHBondContact O-N 3.13Å; E298-S301 PolarHBondContact O-OG 3Å; S301-G305 CarbonylContact O-C 3.45Å; S301-G305 WeakPolarHBondContact O-CA 3.17Å; S301-G305 PolarHBondContact O-N 2.86Å |
| 302 | E | 55 | Low | 63.4 | Low | 157 Ų | 157 | 95.8 Ų | 95.8 | 73% | 0.734 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -71.3 | -34.8 | 175.3 | -172.7 | 178.5 | -155.3 | 0 | 0 | 111.6 | E298 N300 | E298-E302 VanDerWaalsContact O-CB 3.27Å; E298-E302 WeakPolarHBondContact O-CB 3.26Å; E298-E302 PolarHBondContact O-N 3.28Å; N300-E302 VanDerWaalsContact C-N 3.32Å; N300-E302 PolarHBondContact O-N 3.3Å |
| 303 | K | 52.7 | Low | 63.4 | Low | 152 Ų | 152 | 91.5 Ų | 91.5 | 66% | 0.661 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -78.1 | -27.4 | -179 | -167.3 | -178.9 | -179.7 | -157 | 0 | 114.1 | K299 N300 | K299-K303 VanDerWaalsContact O-CB 3.23Å; K299-K303 WeakPolarHBondContact O-CB 3.4Å; K299-K303 PolarHBondContact O-N 3.38Å; K299-K303 VanDerWaalsContact O-N 3.1Å; N300-K303 PolarHBondContact O-N 3.01Å |
| 304 | Y | 48.4 | Very low | 64.1 | Low | 119 Ų | 119 | 87 Ų | 87 | 47% | 0.467 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -121.3 | -3.9 | -177.3 | -64.3 | -74.1 | 0 | 0 | 0 | 114.7 | N300 Y308 | N300-Y304 PolarHBondContact O-N 3.27Å; N300-Y304 VanDerWaalsContact O-N 3.17Å; Y304-Y308 HydrophobicContact CG-CD1 4.34Å; Y304-Y308 HydrophobicContact CG-CG 4.43Å; Y304-Y308 VanDerWaalsContact O-CB 3.29Å; Y304-Y308 WeakPolarHBondContact O-CB 3.48Å |
| 305 | G | 56.1 | Low | 64.4 | Low | 33 Ų | 33 | 81.6 Ų | 81.6 | 34% | 0.34 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | 74.6 | 158.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S301 G307 Y308 | S301-G305 CarbonylContact O-C 3.45Å; S301-G305 WeakPolarHBondContact O-CA 3.17Å; S301-G305 PolarHBondContact O-N 2.86Å; G305-G307 PolarHBondContact O-N 3.37Å; G305-Y308 PolarHBondContact O-N 3.34Å |
| 306 | D | 52.6 | Low | 64.9 | Low | 98 Ų | 98 | 74.9 Ų | 74.9 | 52% | 0.524 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.5 | -30.2 | 177.5 | -160.1 | 29.4 | 0 | 0 | 0 | 112 | Y308 R309 M310 | D306-Y308 PolarHBondContact O-N 3.17Å; D306-R309 WeakPolarHBondContact O-CB 3.45Å; D306-R309 PolarHBondContact O-N 2.93Å; D306-M310 PolarHBondContact O-N 3Å |
| 307 | G | 58.1 | Low | 65.6 | Low | 37 Ų | 37 | 67.1 Ų | 67.1 | 38% | 0.381 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -52.9 | -37.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | G305 R309 M310 A311 F322 | G305-G307 PolarHBondContact O-N 3.37Å; G307-R309 VanDerWaalsContact C-N 3.25Å; G307-R309 PolarHBondContact O-N 2.83Å; G307-M310 CarbonylContact O-C 3.55Å; G307-M310 PolarHBondContact O-N 2.97Å; G307-M310 VanDerWaalsContact O-N 3.11Å; G307-A311 PolarHBondContact O-N 3.36Å; G307-A311 VanDerWaalsContact O-N 3.08Å; G307-F322 WeakPolarHBondContact O-CE1 3.49Å |
| 308 | Y | 57.3 | Low | 66.5 | Low | 102 Ų | 102 | 66 Ų | 66 | 40% | 0.4 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.9 | -26.4 | 177.8 | -173 | -96.6 | 0 | 0 | 0 | 113.1 | Y304 G305 D306 R320 | Y304-Y308 HydrophobicContact CG-CD1 4.34Å; Y304-Y308 HydrophobicContact CG-CG 4.43Å; Y304-Y308 VanDerWaalsContact O-CB 3.29Å; Y304-Y308 WeakPolarHBondContact O-CB 3.48Å; G305-Y308 PolarHBondContact O-N 3.34Å; D306-Y308 PolarHBondContact O-N 3.17Å; Y308-R320 PolarHBondContact OH-NH1 3.14Å |
| 309 | R | 60.6 | Low | 67.2 | Low | 99 Ų | 99 | 64.6 Ų | 64.6 | 37% | 0.374 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -81.5 | -22.8 | 174.4 | -65 | -178.3 | 166.6 | -137.8 | 2 | 113.2 | R297 D306 G307 | R297-R309 PolarHBondContact O-NH2 2.87Å; D306-R309 WeakPolarHBondContact O-CB 3.45Å; D306-R309 PolarHBondContact O-N 2.93Å; G307-R309 VanDerWaalsContact C-N 3.25Å; G307-R309 PolarHBondContact O-N 2.83Å |
| 310 | M | 64.1 | Low | 68.1 | Low | 32 Ų | 32 | 65 Ų | 65 | 16% | 0.158 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -90.9 | -5 | 177 | -61.7 | 172.2 | 63.7 | 0 | 0 | 112.8 | D306 G307 K372 T375 | D306-M310 PolarHBondContact O-N 3Å; G307-M310 CarbonylContact O-C 3.55Å; G307-M310 PolarHBondContact O-N 2.97Å; G307-M310 VanDerWaalsContact O-N 3.11Å; M310-K372 HydrophobicContact CE-CG 3.82Å; M310-T375 WeakPolarHBondContact CE-OG1 3.4Å |
| 311 | A | 75 | Confident | 68.9 | Low | 9 Ų | 9 | 62.4 Ų | 62.4 | 7% | 0.074 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -69.5 | 127.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | G307 T313 T321 F322 | G307-A311 PolarHBondContact O-N 3.36Å; G307-A311 VanDerWaalsContact O-N 3.08Å; A311-T313 HydrophobicContact CB-CG2 4.48Å; A311-T321 CarbonylContact C-O 3.59Å; A311-T321 WeakPolarHBondContact CA-O 3.41Å; A311-F322 HydrophobicContact CB-CD1 3.97Å; A311-F322 HydrophobicContact CB-CE1 3.71Å; A311-F322 HydrophobicContact CB-CZ 4.33Å |
| 312 | F | 76.4 | Confident | 69.6 | Low | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.009 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 128.8 | 168.7 | -61.8 | -73.7 | 0 | 0 | 0 | 109.2 | R320 T321 E323 E324 I327 F365 T368 K372 | F312-R320 VanDerWaalsContact O-CA 3.31Å; F312-R320 WeakPolarHBondContact O-CA 3.38Å; F312-T321 PolarHBondContact N-O 2.74Å; F312-T321 PolarHBondContact O-N 2.81Å; F312-E323 WeakPolarHBondContact CD2-O 3.42Å; F312-E324 HydrophobicContact CE2-CB 3.96Å; F312-E324 HydrophobicContact CE2-CG 4.43Å; F312-E324 HydrophobicContact CZ-CB 4.13Å; F312-E324 HydrophobicContact CZ-CG 4.11Å; F312-I327 HydrophobicContact CB-CB 3.9Å; F312-I327 HydrophobicContact CB-CD1 4.46Å; F312-I327 HydrophobicContact CB-CG1 3.98Å; F312-I327 HydrophobicContact CB-CG2 3.83Å; F312-I327 HydrophobicContact CD1-CG2 3.99Å; F312-I327 HydrophobicContact CD2-CG2 3.82Å; F312-I327 HydrophobicContact CE1-CG2 4.48Å; F312-I327 HydrophobicContact CE2-CG2 4.35Å; F312-I327 HydrophobicContact CG-CB 4.26Å; F312-I327 HydrophobicContact CG-CG2 3.61Å; F312-F365 AromaticContact CD1-CD2 3.57Å; F312-F365 HydrophobicContact CD1-CD2 3.57Å; F312-F365 AromaticContact CD1-CE2 3.95Å; F312-F365 HydrophobicContact CD1-CE2 3.95Å; F312-F365 AromaticContact CE1-CD2 3.55Å; F312-F365 HydrophobicContact CE1-CD2 3.55Å; F312-F365 AromaticContact CE1-CE2 3.57Å; F312-F365 HydrophobicContact CE1-CE2 3.57Å; F312-F365 HydrophobicContact CG-CD2 4.43Å; F312-F365 HydrophobicContact CZ-CD2 4.41Å; F312-F365 HydrophobicContact CZ-CE2 4Å; F312-T368 WeakPolarHBondContact CD1-OG1 3.06Å; F312-T368 WeakPolarHBondContact CE1-OG1 3.18Å; F312-K372 HydrophobicContact CE2-CD 3.87Å; F312-K372 HydrophobicContact CZ-CD 3.93Å |
| 313 | T | 81.4 | Confident | 70.7 | Confident | 46 Ų | 46 | 65.1 Ų | 65.1 | 28% | 0.282 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 115.6 | -175.9 | 56.5 | 0 | 0 | 0 | 0 | 112.5 | A311 F319 R320 K364 | A311-T313 HydrophobicContact CB-CG2 4.48Å; T313-F319 CarbonylContact C-O 3.36Å; T313-F319 WeakPolarHBondContact CA-O 3.35Å; T313-R320 HydrophobicContact CG2-CB 4.28Å; T313-R320 HydrophobicContact CG2-CG 3.88Å; T313-K364 PolarHBondContact O-NZ 3.14Å; T313-K364 PolarHBondContact OG1-NZ 2.92Å |
| 314 | C | 85.8 | Confident | 72.1 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.02 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 114.1 | 170.8 | -176.8 | 0 | 0 | 0 | 0 | 109.6 | C317 K318 F319 I327 H330 M361 | C314-C317 HydrophobicContact CB-CB 4.36Å; C314-K318 VanDerWaalsContact O-CA 3.31Å; C314-K318 WeakPolarHBondContact O-CA 3.43Å; C314-K318 PolarHBondContact O-N 3.48Å; C314-F319 HydrophobicContact CB-CB 4.07Å; C314-F319 PolarHBondContact N-O 3.21Å; C314-F319 PolarHBondContact O-N 3.42Å; C314-I327 HydrophobicContact CB-CD1 4.37Å; C314-H330 PolarHBondContact SG-NE2 2.79Å; C314-H330 VanDerWaalsContact SG-NE2 3.44Å; C314-M361 HydrophobicContact CB-CE 4.28Å |
| 315 | S | 79.9 | Confident | 73.6 | Confident | 41 Ų | 41 | 61.9 Ų | 61.9 | 29% | 0.287 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -47.1 | -179.6 | 42 | 0 | 0 | 0 | 0 | 111.9 | C317 K318 M361 | S315-C317 VanDerWaalsContact C-N 3.34Å; S315-C317 PolarHBondContact O-N 3.04Å; S315-K318 PolarHBondContact O-N 3.03Å; S315-M361 PolarHBondContact OG-SD 2.96Å; S315-M361 VanDerWaalsContact OG-SD 3.35Å |
| 316 | F | 80.9 | Confident | 74.9 | Confident | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -30.2 | -177.8 | -61.1 | -60 | 0 | 0 | 0 | 114.5 | L340 I343 L357 M361 I441 S445 T448 A449 I452 | F316-L340 HydrophobicContact CD2-CD2 4.45Å; F316-I343 HydrophobicContact CD1-CD1 3.96Å; F316-I343 HydrophobicContact CE1-CD1 4.42Å; F316-I343 HydrophobicContact CG-CD1 4.41Å; F316-L357 HydrophobicContact CE2-CB 4.35Å; F316-L357 HydrophobicContact CZ-CB 4.44Å; F316-L357 HydrophobicContact CZ-CD1 4.26Å; F316-L357 HydrophobicContact CZ-CD2 4.14Å; F316-M361 HydrophobicContact CD2-CG 3.89Å; F316-M361 HydrophobicContact CD2-SD 4.06Å; F316-M361 HydrophobicContact CE2-CG 3.82Å; F316-M361 HydrophobicContact CE2-SD 3.91Å; F316-I441 WeakPolarHBondContact O-CG2 3.44Å; F316-S445 VanDerWaalsContact O-CB 3.22Å; F316-S445 WeakPolarHBondContact O-CB 3.42Å; F316-T448 HydrophobicContact CD1-CG2 4.26Å; F316-T448 HydrophobicContact CE1-CG2 4.08Å; F316-A449 HydrophobicContact CE1-CB 3.8Å; F316-I452 HydrophobicContact CE1-CD1 4.08Å; F316-I452 HydrophobicContact CZ-CD1 3.82Å |
| 317 | C | 81.9 | Confident | 76.4 | Confident | 14 Ų | 14 | 59 Ų | 59 | 10% | 0.095 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 0.2 | -178.9 | -64.9 | 0 | 0 | 0 | 0 | 113.8 | C314 S315 F319 H330 H336 T339 | C314-C317 HydrophobicContact CB-CB 4.36Å; S315-C317 VanDerWaalsContact C-N 3.34Å; S315-C317 PolarHBondContact O-N 3.04Å; C317-F319 HydrophobicContact CB-CB 4.24Å; C317-F319 PolarHBondContact O-N 2.91Å; C317-H330 WeakPolarHBondContact CB-CE1 3.33Å; C317-H330 VanDerWaalsContact CB-NE2 3.33Å; C317-H330 WeakPolarHBondContact CB-NE2 3.3Å; C317-H336 PolarHBondContact SG-ND1 2.96Å; C317-T339 PolarHBondContact SG-OG1 3.38Å |
| 318 | K | 81.9 | Confident | 77.7 | Confident | 94 Ų | 94 | 61.2 Ų | 61.2 | 41% | 0.409 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 23 | -167.9 | -69.6 | -175.7 | 169.3 | 179.3 | 0 | 114.2 | C314 S315 E444 | C314-K318 VanDerWaalsContact O-CA 3.31Å; C314-K318 WeakPolarHBondContact O-CA 3.43Å; C314-K318 PolarHBondContact O-N 3.48Å; S315-K318 PolarHBondContact O-N 3.03Å; K318-E444 WeakPolarHBondContact CD-OE2 3.4Å; K318-E444 WeakPolarHBondContact CE-OE2 3.4Å; K318-E444 IonicContact NZ-OE1 2.73Å; K318-E444 PolarHBondContact NZ-OE1 3.23Å; K318-E444 IonicContact NZ-OE2 3.16Å; K318-E444 PolarHBondContact NZ-OE2 2.8Å |
| 319 | F | 80.3 | Confident | 79 | Confident | 67 Ų | 67 | 61.7 Ų | 61.7 | 29% | 0.294 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 134.7 | -179.1 | -173.6 | -109.3 | 0 | 0 | 0 | 109.9 | T313 C314 C317 T321 D326 I327 H330 | T313-F319 CarbonylContact C-O 3.36Å; T313-F319 WeakPolarHBondContact CA-O 3.35Å; C314-F319 HydrophobicContact CB-CB 4.07Å; C314-F319 PolarHBondContact N-O 3.21Å; C314-F319 PolarHBondContact O-N 3.42Å; C317-F319 HydrophobicContact CB-CB 4.24Å; C317-F319 PolarHBondContact O-N 2.91Å; F319-T321 HydrophobicContact CD1-CG2 4.1Å; F319-T321 HydrophobicContact CE1-CG2 3.3Å; F319-T321 HydrophobicContact CE2-CG2 4.04Å; F319-T321 HydrophobicContact CZ-CG2 3.27Å; F319-D326 HydrophobicContact CZ-CB 4.46Å; F319-I327 HydrophobicContact CD1-CD1 4.05Å; F319-I327 HydrophobicContact CE1-CD1 4.45Å; F319-H330 HydrophobicContact CD1-CB 3.71Å; F319-H330 AromaticContact CD1-CD2 3.6Å; F319-H330 AromaticContact CD1-CG 3.42Å; F319-H330 VanDerWaalsContact CD1-CG 3.42Å; F319-H330 AromaticContact CD1-ND1 3.91Å; F319-H330 HydrophobicContact CE1-CB 3.47Å; F319-H330 VanDerWaalsContact CE1-CB 3.47Å; F319-H330 AromaticContact CE1-CG 3.73Å; F319-H330 HydrophobicContact CG-CB 4.5Å; F319-H330 AromaticContact CG-CG 3.85Å; F319-H330 AromaticContact CG-ND1 3.86Å; F319-H330 HydrophobicContact CZ-CB 4.11Å |
| 320 | R | 83.3 | Confident | 80.3 | Confident | 153 Ų | 153 | 57.7 Ų | 57.7 | 58% | 0.577 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 123.1 | -178.6 | -54.5 | -169 | 176.4 | -174.8 | -4.8 | 109.6 | Y308 F312 T313 | Y308-R320 PolarHBondContact OH-NH1 3.14Å; F312-R320 VanDerWaalsContact O-CA 3.31Å; F312-R320 WeakPolarHBondContact O-CA 3.38Å; T313-R320 HydrophobicContact CG2-CB 4.28Å; T313-R320 HydrophobicContact CG2-CG 3.88Å |
| 321 | T | 76.4 | Confident | 81.2 | Confident | 14 Ų | 14 | 56.8 Ų | 56.8 | 9% | 0.086 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 153.7 | 178.6 | 51.5 | 0 | 0 | 0 | 0 | 111.6 | A311 F312 F319 E323 D326 | A311-T321 CarbonylContact C-O 3.59Å; A311-T321 WeakPolarHBondContact CA-O 3.41Å; F312-T321 PolarHBondContact N-O 2.74Å; F312-T321 PolarHBondContact O-N 2.81Å; F319-T321 HydrophobicContact CD1-CG2 4.1Å; F319-T321 HydrophobicContact CE1-CG2 3.3Å; F319-T321 HydrophobicContact CE2-CG2 4.04Å; F319-T321 HydrophobicContact CZ-CG2 3.27Å; T321-E323 PolarHBondContact OG1-O 2.82Å; T321-D326 HydrophobicContact CG2-CB 3.75Å |
| 322 | F | 73.8 | Confident | 81.7 | Confident | 131 Ų | 131 | 63.4 Ų | 63.4 | 58% | 0.575 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -95.4 | -14.7 | 170.6 | -59.4 | -82.1 | 0 | 0 | 0 | 111.7 | G307 A311 K372 | G307-F322 WeakPolarHBondContact O-CE1 3.49Å; A311-F322 HydrophobicContact CB-CD1 3.97Å; A311-F322 HydrophobicContact CB-CE1 3.71Å; A311-F322 HydrophobicContact CB-CZ 4.33Å; F322-K372 PolarHBondContact O-NZ 3.45Å |
| 323 | E | 78.2 | Confident | 82.2 | Confident | 117 Ų | 117 | 64.7 Ų | 64.7 | 55% | 0.547 | 31% | 0.308 | S | S | . | . | trans | -92.4 | 141.6 | 178.4 | -60.1 | -159.2 | -156.6 | 0 | 0 | 112.2 | F312 T321 D326 | F312-E323 WeakPolarHBondContact CD2-O 3.42Å; T321-E323 PolarHBondContact OG1-O 2.82Å; E323-D326 HydrophobicContact CB-CB 4.26Å | ||
| 324 | E | 80.8 | Confident | 82.4 | Confident | 55 Ų | 55 | 66.1 Ų | 66.1 | 26% | 0.257 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -74.6 | -40.3 | -179.4 | -167.9 | 163.2 | -168 | 0 | 0 | 110.7 | F312 D326 I327 E328 F365 S369 Q373 | F312-E324 HydrophobicContact CE2-CB 3.96Å; F312-E324 HydrophobicContact CE2-CG 4.43Å; F312-E324 HydrophobicContact CZ-CB 4.13Å; F312-E324 HydrophobicContact CZ-CG 4.11Å; E324-D326 PolarHBondContact O-N 3.03Å; E324-I327 WeakPolarHBondContact O-CG2 3.34Å; E324-I327 PolarHBondContact O-N 3.47Å; E324-E328 WeakPolarHBondContact O-CG 3.2Å; E324-E328 PolarHBondContact O-N 3.12Å; E324-E328 VanDerWaalsContact O-N 3.12Å; E324-F365 HydrophobicContact CG-CE2 3.9Å; E324-F365 HydrophobicContact CG-CZ 3.82Å; E324-S369 WeakPolarHBondContact OE1-CB 3.48Å; E324-Q373 PolarHBondContact OE1-NE2 2.71Å |
| 325 | K | 79.9 | Confident | 82.2 | Confident | 148 Ų | 148 | 68.5 Ų | 68.5 | 64% | 0.643 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -62 | -40.4 | 176.9 | -61.5 | 176.8 | -178.6 | 176.8 | 0 | 112.7 | I327 E328 L329 | K325-I327 VanDerWaalsContact C-N 3.33Å; K325-I327 PolarHBondContact O-N 3.49Å; K325-E328 PolarHBondContact O-N 2.99Å; K325-L329 WeakPolarHBondContact O-CB 3.27Å; K325-L329 VanDerWaalsContact O-CG 3.26Å; K325-L329 WeakPolarHBondContact O-CG 3.39Å; K325-L329 PolarHBondContact O-N 3.45Å |
| 326 | D | 84.8 | Confident | 82.5 | Confident | 66 Ų | 66 | 66.5 Ų | 66.5 | 35% | 0.353 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.3 | -33.9 | -178.8 | -69.6 | -13.4 | 0 | 0 | 0 | 112.7 | F319 T321 E323 E324 H330 | F319-D326 HydrophobicContact CZ-CB 4.46Å; T321-D326 HydrophobicContact CG2-CB 3.75Å; E323-D326 HydrophobicContact CB-CB 4.26Å; E324-D326 PolarHBondContact O-N 3.03Å; D326-H330 VanDerWaalsContact O-CB 3.23Å; D326-H330 WeakPolarHBondContact O-CB 3.5Å; D326-H330 PolarHBondContact O-N 3.01Å |
| 327 | I | 83.4 | Confident | 82.8 | Confident | 6 Ų | 6 | 71.3 Ų | 71.3 | 3% | 0.031 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -78.6 | -34.2 | 177.4 | -176.2 | 69.7 | 0 | 0 | 0 | 111.5 | F312 C314 F319 E324 K325 H330 L331 F365 | F312-I327 HydrophobicContact CB-CB 3.9Å; F312-I327 HydrophobicContact CB-CD1 4.46Å; F312-I327 HydrophobicContact CB-CG1 3.98Å; F312-I327 HydrophobicContact CB-CG2 3.83Å; F312-I327 HydrophobicContact CD1-CG2 3.99Å; F312-I327 HydrophobicContact CD2-CG2 3.82Å; F312-I327 HydrophobicContact CE1-CG2 4.48Å; F312-I327 HydrophobicContact CE2-CG2 4.35Å; F312-I327 HydrophobicContact CG-CB 4.26Å; F312-I327 HydrophobicContact CG-CG2 3.61Å; C314-I327 HydrophobicContact CB-CD1 4.37Å; F319-I327 HydrophobicContact CD1-CD1 4.05Å; F319-I327 HydrophobicContact CE1-CD1 4.45Å; E324-I327 WeakPolarHBondContact O-CG2 3.34Å; E324-I327 PolarHBondContact O-N 3.47Å; K325-I327 VanDerWaalsContact C-N 3.33Å; K325-I327 PolarHBondContact O-N 3.49Å; I327-H330 HydrophobicContact CD1-CB 4.44Å; I327-H330 PolarHBondContact O-N 3.27Å; I327-L331 HydrophobicContact CD1-CG 4.49Å; I327-L331 HydrophobicContact CG1-CD1 4.28Å; I327-L331 HydrophobicContact CG1-CG 4.45Å; I327-L331 VanDerWaalsContact O-CG 3.29Å; I327-L331 WeakPolarHBondContact O-CG 3.39Å; I327-L331 PolarHBondContact O-N 3.48Å; I327-F365 HydrophobicContact CB-CD2 4.46Å; I327-F365 HydrophobicContact CG1-CD2 4.1Å; I327-F365 HydrophobicContact CG2-CD2 3.5Å; I327-F365 HydrophobicContact CG2-CE2 3.32Å; I327-F365 HydrophobicContact CG2-CZ 4.34Å |
| 328 | E | 85 | Confident | 83.1 | Confident | 82 Ų | 82 | 74.7 Ų | 74.7 | 38% | 0.383 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.3 | -54.2 | 169.9 | -71 | 169.8 | 166 | 0 | 0 | 110.5 | E324 K325 H330 L331 E332 F365 | E324-E328 WeakPolarHBondContact O-CG 3.2Å; E324-E328 PolarHBondContact O-N 3.12Å; E324-E328 VanDerWaalsContact O-N 3.12Å; K325-E328 PolarHBondContact O-N 2.99Å; E328-H330 PolarHBondContact O-N 3.33Å; E328-L331 PolarHBondContact O-N 3.13Å; E328-L331 VanDerWaalsContact O-N 3.15Å; E328-E332 PolarHBondContact O-N 2.79Å; E328-F365 HydrophobicContact CG-CE1 4.06Å; E328-F365 HydrophobicContact CG-CE2 4.41Å; E328-F365 HydrophobicContact CG-CZ 3.68Å |
| 329 | L | 86.3 | Confident | 83.3 | Confident | 113 Ų | 113 | 70.7 Ų | 70.7 | 59% | 0.592 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -58.9 | -33.1 | 175.2 | -69.6 | 172.8 | 0 | 0 | 0 | 112.5 | K325 S333 | K325-L329 WeakPolarHBondContact O-CB 3.27Å; K325-L329 VanDerWaalsContact O-CG 3.26Å; K325-L329 WeakPolarHBondContact O-CG 3.39Å; K325-L329 PolarHBondContact O-N 3.45Å; L329-S333 VanDerWaalsContact O-CB 3.29Å; L329-S333 WeakPolarHBondContact O-CB 3.36Å; L329-S333 PolarHBondContact O-N 2.88Å |
| 330 | H | 87.2 | Confident | 83.5 | Confident | 15 Ų | 15 | 68.3 Ų | 68.3 | 7% | 0.069 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.8 | -45.6 | 175 | 175.3 | 65.3 | 0 | 0 | 0 | 112.6 | C314 C317 F319 D326 I327 E328 E332 S333 H336 | C314-H330 PolarHBondContact SG-NE2 2.79Å; C314-H330 VanDerWaalsContact SG-NE2 3.44Å; C317-H330 WeakPolarHBondContact CB-CE1 3.33Å; C317-H330 VanDerWaalsContact CB-NE2 3.33Å; C317-H330 WeakPolarHBondContact CB-NE2 3.3Å; F319-H330 HydrophobicContact CD1-CB 3.71Å; F319-H330 AromaticContact CD1-CD2 3.6Å; F319-H330 AromaticContact CD1-CG 3.42Å; F319-H330 VanDerWaalsContact CD1-CG 3.42Å; F319-H330 AromaticContact CD1-ND1 3.91Å; F319-H330 HydrophobicContact CE1-CB 3.47Å; F319-H330 VanDerWaalsContact CE1-CB 3.47Å; F319-H330 AromaticContact CE1-CG 3.73Å; F319-H330 HydrophobicContact CG-CB 4.5Å; F319-H330 AromaticContact CG-CG 3.85Å; F319-H330 AromaticContact CG-ND1 3.86Å; F319-H330 HydrophobicContact CZ-CB 4.11Å; D326-H330 VanDerWaalsContact O-CB 3.23Å; D326-H330 WeakPolarHBondContact O-CB 3.5Å; D326-H330 PolarHBondContact O-N 3.01Å; I327-H330 HydrophobicContact CD1-CB 4.44Å; I327-H330 PolarHBondContact O-N 3.27Å; E328-H330 PolarHBondContact O-N 3.33Å; H330-E332 VanDerWaalsContact C-N 3.35Å; H330-S333 WeakPolarHBondContact O-CB 3.03Å; H330-S333 PolarHBondContact O-N 2.95Å; H330-S333 VanDerWaalsContact O-N 3.14Å; H330-S333 PolarHBondContact O-OG 2.79Å; H330-H336 AromaticContact NE2-ND1 3.94Å; H330-H336 VanDerWaalsContact O-CB 3.23Å; H330-H336 WeakPolarHBondContact O-CB 3.39Å |
| 331 | L | 83.5 | Confident | 83.6 | Confident | 13 Ų | 13 | 64.6 Ų | 64.6 | 7% | 0.068 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 179 | -70.6 | 169.6 | 0 | 0 | 0 | 111.4 | I327 E328 S333 M361 V362 F365 | I327-L331 HydrophobicContact CD1-CG 4.49Å; I327-L331 HydrophobicContact CG1-CD1 4.28Å; I327-L331 HydrophobicContact CG1-CG 4.45Å; I327-L331 VanDerWaalsContact O-CG 3.29Å; I327-L331 WeakPolarHBondContact O-CG 3.39Å; I327-L331 PolarHBondContact O-N 3.48Å; E328-L331 PolarHBondContact O-N 3.13Å; E328-L331 VanDerWaalsContact O-N 3.15Å; L331-S333 VanDerWaalsContact C-N 3.29Å; L331-S333 PolarHBondContact O-N 3.24Å; L331-M361 HydrophobicContact CD2-CB 4.28Å; L331-V362 HydrophobicContact CD1-CG2 4.36Å; L331-F365 HydrophobicContact CD1-CB 4.22Å; L331-F365 HydrophobicContact CD1-CG 4.32Å |
| 332 | E | 84.4 | Confident | 84.2 | Confident | 147 Ų | 147 | 66.2 Ų | 66.2 | 69% | 0.687 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -74.9 | -15.8 | 174 | -65.9 | -176.5 | 177.5 | 0 | 0 | 113.5 | E328 H330 Q337 | E328-E332 PolarHBondContact O-N 2.79Å; H330-E332 VanDerWaalsContact C-N 3.35Å; E332-Q337 PolarHBondContact O-NE2 3.27Å |
| 333 | S | 87.5 | Confident | 84.8 | Confident | 29 Ų | 29 | 60 Ų | 60 | 20% | 0.203 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -65.4 | 144.5 | -176.5 | 77.3 | 0 | 0 | 0 | 0 | 112.9 | L329 H330 L331 S335 H336 Q337 | L329-S333 VanDerWaalsContact O-CB 3.29Å; L329-S333 WeakPolarHBondContact O-CB 3.36Å; L329-S333 PolarHBondContact O-N 2.88Å; H330-S333 WeakPolarHBondContact O-CB 3.03Å; H330-S333 PolarHBondContact O-N 2.95Å; H330-S333 VanDerWaalsContact O-N 3.14Å; H330-S333 PolarHBondContact O-OG 2.79Å; L331-S333 VanDerWaalsContact C-N 3.29Å; L331-S333 PolarHBondContact O-N 3.24Å; S333-S335 PolarHBondContact O-N 3.23Å; S333-S335 VanDerWaalsContact O-N 3.07Å; S333-S335 PolarHBondContact OG-N 2.85Å; S333-S335 PolarHBondContact OG-OG 3.13Å; S333-H336 PolarHBondContact O-N 3.01Å; S333-H336 VanDerWaalsContact O-N 3.09Å; S333-H336 PolarHBondContact OG-N 3.36Å; S333-Q337 PolarHBondContact O-N 3.1Å |
| 334 | S | 85.1 | Confident | 85.1 | Confident | 77 Ų | 77 | 56.7 Ų | 56.7 | 54% | 0.538 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -55 | -30 | 170.5 | 79.5 | 0 | 0 | 0 | 0 | 111.8 | H336 Q337 E338 | S334-H336 PolarHBondContact O-N 3.26Å; S334-Q337 PolarHBondContact O-N 3.44Å; S334-E338 VanDerWaalsContact O-CB 3.27Å; S334-E338 WeakPolarHBondContact O-CB 3.26Å; S334-E338 WeakPolarHBondContact O-CG 3.42Å; S334-E338 PolarHBondContact O-N 2.91Å; S334-E338 PolarHBondContact OG-OE1 2.95Å |
| 335 | S | 82.6 | Confident | 85.3 | Confident | 52 Ų | 52 | 60.9 Ų | 60.9 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.1 | -34.7 | -179.1 | 74.9 | 0 | 0 | 0 | 0 | 113.5 | S333 T339 | S333-S335 PolarHBondContact O-N 3.23Å; S333-S335 VanDerWaalsContact O-N 3.07Å; S333-S335 PolarHBondContact OG-N 2.85Å; S333-S335 PolarHBondContact OG-OG 3.13Å; S335-T339 WeakPolarHBondContact O-CG2 3.17Å; S335-T339 PolarHBondContact O-N 3.24Å |
| 336 | H | 86.2 | Confident | 85.3 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.6 | -48.6 | 173.3 | -175.9 | 61.7 | 0 | 0 | 0 | 109.7 | C317 H330 S333 S334 E338 T339 L340 H358 | C317-H336 PolarHBondContact SG-ND1 2.96Å; H330-H336 AromaticContact NE2-ND1 3.94Å; H330-H336 VanDerWaalsContact O-CB 3.23Å; H330-H336 WeakPolarHBondContact O-CB 3.39Å; S333-H336 PolarHBondContact O-N 3.01Å; S333-H336 VanDerWaalsContact O-N 3.09Å; S333-H336 PolarHBondContact OG-N 3.36Å; S334-H336 PolarHBondContact O-N 3.26Å; H336-E338 VanDerWaalsContact C-N 3.35Å; H336-E338 PolarHBondContact O-N 3.43Å; H336-T339 PolarHBondContact O-N 3.14Å; H336-T339 PolarHBondContact O-OG1 3.42Å; H336-L340 PolarHBondContact O-N 2.84Å; H336-L340 VanDerWaalsContact O-N 3.13Å; H336-H358 AromaticContact CD2-CD2 3.93Å; H336-H358 AromaticContact NE2-CD2 3.73Å |
| 337 | Q | 86.3 | Confident | 84.8 | Confident | 105 Ų | 105 | 57.6 Ų | 57.6 | 49% | 0.491 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.6 | -43.7 | 177.6 | -63.3 | 174.9 | 6.6 | 0 | 0 | 112.1 | E332 S333 S334 T339 L340 D341 | E332-Q337 PolarHBondContact O-NE2 3.27Å; S333-Q337 PolarHBondContact O-N 3.1Å; S334-Q337 PolarHBondContact O-N 3.44Å; Q337-T339 VanDerWaalsContact C-N 3.27Å; Q337-T339 PolarHBondContact O-N 3.37Å; Q337-L340 WeakPolarHBondContact O-CB 3.3Å; Q337-L340 PolarHBondContact O-N 3.47Å; Q337-L340 VanDerWaalsContact O-N 3.13Å; Q337-D341 WeakPolarHBondContact O-CB 3.25Å; Q337-D341 PolarHBondContact O-N 2.95Å |
| 338 | E | 87.9 | Confident | 84.4 | Confident | 85 Ų | 85 | 66.1 Ų | 66.1 | 40% | 0.397 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57.4 | -34.3 | 173.8 | -80.8 | 169.6 | -128.6 | 0 | 0 | 113.1 | S334 H336 H342 | S334-E338 VanDerWaalsContact O-CB 3.27Å; S334-E338 WeakPolarHBondContact O-CB 3.26Å; S334-E338 WeakPolarHBondContact O-CG 3.42Å; S334-E338 PolarHBondContact O-N 2.91Å; S334-E338 PolarHBondContact OG-OE1 2.95Å; H336-E338 VanDerWaalsContact C-N 3.35Å; H336-E338 PolarHBondContact O-N 3.43Å; E338-H342 WeakPolarHBondContact O-CB 3.48Å; E338-H342 PolarHBondContact O-N 2.69Å |
| 339 | T | 85.6 | Confident | 84 | Confident | 10 Ų | 10 | 64.4 Ų | 64.4 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -73.9 | -39.4 | 175.3 | 62.9 | 0 | 0 | 0 | 0 | 112 | C317 S335 H336 Q337 H342 I343 I441 | C317-T339 PolarHBondContact SG-OG1 3.38Å; S335-T339 WeakPolarHBondContact O-CG2 3.17Å; S335-T339 PolarHBondContact O-N 3.24Å; H336-T339 PolarHBondContact O-N 3.14Å; H336-T339 PolarHBondContact O-OG1 3.42Å; Q337-T339 VanDerWaalsContact C-N 3.27Å; Q337-T339 PolarHBondContact O-N 3.37Å; T339-H342 PolarHBondContact O-N 3.32Å; T339-I343 VanDerWaalsContact O-CG1 3.31Å; T339-I343 WeakPolarHBondContact O-CG1 3.4Å; T339-I343 PolarHBondContact O-N 3.47Å; T339-I441 HydrophobicContact CG2-CG2 4.19Å |
| 340 | L | 84.5 | Confident | 83.6 | Confident | 17 Ų | 17 | 64.3 Ų | 64.3 | 9% | 0.089 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 173.7 | -63.3 | 177.4 | 0 | 0 | 0 | 110.9 | F316 H336 Q337 H342 I343 Q344 M354 H358 | F316-L340 HydrophobicContact CD2-CD2 4.45Å; H336-L340 PolarHBondContact O-N 2.84Å; H336-L340 VanDerWaalsContact O-N 3.13Å; Q337-L340 WeakPolarHBondContact O-CB 3.3Å; Q337-L340 PolarHBondContact O-N 3.47Å; Q337-L340 VanDerWaalsContact O-N 3.13Å; L340-H342 VanDerWaalsContact C-N 3.26Å; L340-H342 PolarHBondContact O-N 3.19Å; L340-I343 HydrophobicContact CD2-CD1 4.47Å; L340-I343 WeakPolarHBondContact O-CB 3.07Å; L340-I343 PolarHBondContact O-N 3.26Å; L340-I343 VanDerWaalsContact O-N 3.17Å; L340-Q344 PolarHBondContact O-N 3.09Å; L340-M354 HydrophobicContact CB-CE 3.66Å; L340-M354 HydrophobicContact CD2-CE 3.8Å; L340-M354 HydrophobicContact CG-CE 4.31Å; L340-M354 WeakPolarHBondContact O-CE 3.39Å; L340-H358 HydrophobicContact CD1-CB 4.13Å |
| 341 | D | 87.3 | Confident | 83.4 | Confident | 75 Ų | 75 | 70.7 Ų | 70.7 | 40% | 0.401 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.6 | -38.2 | 173.6 | -112.6 | 43.4 | 0 | 0 | 0 | 112.8 | Q337 K345 | Q337-D341 WeakPolarHBondContact O-CB 3.25Å; Q337-D341 PolarHBondContact O-N 2.95Å; D341-K345 VanDerWaalsContact O-CD 3.27Å; D341-K345 WeakPolarHBondContact O-CD 3.48Å; D341-K345 VanDerWaalsContact O-CG 3.25Å; D341-K345 WeakPolarHBondContact O-CG 3.44Å; D341-K345 PolarHBondContact O-N 3.48Å; D341-K345 IonicContact OD2-NZ 2.76Å; D341-K345 PolarHBondContact OD2-NZ 3.34Å |
| 342 | H | 87.7 | Confident | 83.3 | Confident | 47 Ų | 47 | 72.8 Ų | 72.8 | 22% | 0.218 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -70.1 | -43.7 | 176.9 | -171.4 | 72.5 | 0 | 0 | 0 | 111.7 | E338 T339 L340 Q344 K345 Q346 K442 | E338-H342 WeakPolarHBondContact O-CB 3.48Å; E338-H342 PolarHBondContact O-N 2.69Å; T339-H342 PolarHBondContact O-N 3.32Å; L340-H342 VanDerWaalsContact C-N 3.26Å; L340-H342 PolarHBondContact O-N 3.19Å; H342-Q344 VanDerWaalsContact C-N 3.35Å; H342-Q344 PolarHBondContact O-N 3.16Å; H342-K345 PolarHBondContact O-N 3.07Å; H342-Q346 PolarHBondContact CE1-NE2 3.49Å; H342-Q346 VanDerWaalsContact CE1-NE2 3.33Å; H342-Q346 PolarHBondContact NE2-NE2 3.47Å; H342-Q346 WeakPolarHBondContact O-CB 3.42Å; H342-Q346 VanDerWaalsContact O-CG 3.24Å; H342-Q346 WeakPolarHBondContact O-CG 3.12Å; H342-Q346 PolarHBondContact O-N 3.36Å; H342-K442 HydrophobicContact CB-CD 4.49Å; H342-K442 HydrophobicContact CB-CG 4.39Å |
| 343 | I | 85.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.1 | -52 | 173.9 | -67.5 | 160.1 | 0 | 0 | 0 | 109.4 | F316 T339 L340 K345 Q346 T347 F349 M354 V446 A449 | F316-I343 HydrophobicContact CD1-CD1 3.96Å; F316-I343 HydrophobicContact CE1-CD1 4.42Å; F316-I343 HydrophobicContact CG-CD1 4.41Å; T339-I343 VanDerWaalsContact O-CG1 3.31Å; T339-I343 WeakPolarHBondContact O-CG1 3.4Å; T339-I343 PolarHBondContact O-N 3.47Å; L340-I343 HydrophobicContact CD2-CD1 4.47Å; L340-I343 WeakPolarHBondContact O-CB 3.07Å; L340-I343 PolarHBondContact O-N 3.26Å; L340-I343 VanDerWaalsContact O-N 3.17Å; I343-K345 VanDerWaalsContact C-N 3.29Å; I343-K345 PolarHBondContact O-N 2.75Å; I343-Q346 PolarHBondContact O-N 3.3Å; I343-Q346 VanDerWaalsContact O-N 3.09Å; I343-T347 HydrophobicContact CG2-CG2 4.35Å; I343-T347 PolarHBondContact O-N 3.1Å; I343-T347 PolarHBondContact O-OG1 3.43Å; I343-F349 HydrophobicContact CG2-CD2 3.94Å; I343-F349 HydrophobicContact CG2-CE2 4.02Å; I343-M354 HydrophobicContact CB-CE 4.14Å; I343-M354 HydrophobicContact CG2-CE 4.16Å; I343-M354 HydrophobicContact CG2-SD 4.15Å; I343-V446 HydrophobicContact CG1-CG2 4Å; I343-A449 HydrophobicContact CD1-CB 4.24Å; I343-A449 HydrophobicContact CG2-CB 3.74Å |
| 344 | Q | 85.7 | Confident | 82.9 | Confident | 48 Ų | 48 | 65.6 Ų | 65.6 | 22% | 0.224 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -53.8 | -44.1 | 179.9 | -169.5 | 176.7 | 42.1 | 0 | 0 | 112.8 | L340 H342 K348 F349 K351 M354 | L340-Q344 PolarHBondContact O-N 3.09Å; H342-Q344 VanDerWaalsContact C-N 3.35Å; H342-Q344 PolarHBondContact O-N 3.16Å; Q344-K348 WeakPolarHBondContact O-CA 3.31Å; Q344-K348 PolarHBondContact O-N 2.72Å; Q344-F349 WeakPolarHBondContact CG-O 3.47Å; Q344-K351 VanDerWaalsContact NE2-CG 3.34Å; Q344-M354 HydrophobicContact CB-CG 3.96Å; Q344-M354 HydrophobicContact CB-SD 4.05Å; Q344-M354 HydrophobicContact CG-CG 4.04Å |
| 345 | K | 85.6 | Confident | 82.9 | Confident | 144 Ų | 144 | 66.9 Ų | 66.9 | 63% | 0.626 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -68.5 | -36.8 | 179.8 | -71.5 | 161.4 | -166.2 | 153.4 | 0 | 112.5 | D341 H342 I343 | D341-K345 VanDerWaalsContact O-CD 3.27Å; D341-K345 WeakPolarHBondContact O-CD 3.48Å; D341-K345 VanDerWaalsContact O-CG 3.25Å; D341-K345 WeakPolarHBondContact O-CG 3.44Å; D341-K345 PolarHBondContact O-N 3.48Å; D341-K345 IonicContact OD2-NZ 2.76Å; D341-K345 PolarHBondContact OD2-NZ 3.34Å; H342-K345 PolarHBondContact O-N 3.07Å; I343-K345 VanDerWaalsContact C-N 3.29Å; I343-K345 PolarHBondContact O-N 2.75Å |
| 346 | Q | 79 | Confident | 82.9 | Confident | 111 Ų | 111 | 64.4 Ų | 64.4 | 52% | 0.519 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -74.2 | -47.8 | -179.8 | -71.5 | -84.3 | 16.8 | 0 | 0 | 112.5 | H342 I343 V446 | H342-Q346 PolarHBondContact CE1-NE2 3.49Å; H342-Q346 VanDerWaalsContact CE1-NE2 3.33Å; H342-Q346 PolarHBondContact NE2-NE2 3.47Å; H342-Q346 WeakPolarHBondContact O-CB 3.42Å; H342-Q346 VanDerWaalsContact O-CG 3.24Å; H342-Q346 WeakPolarHBondContact O-CG 3.12Å; H342-Q346 PolarHBondContact O-N 3.36Å; I343-Q346 PolarHBondContact O-N 3.3Å; I343-Q346 VanDerWaalsContact O-N 3.09Å; Q346-V446 HydrophobicContact CB-CG1 4.4Å; Q346-V446 HydrophobicContact CB-CG2 3.89Å; Q346-V446 HydrophobicContact CG-CG2 3.93Å |
| 347 | T | 74.4 | Confident | 82.8 | Confident | 33 Ų | 33 | 64.5 Ų | 64.5 | 20% | 0.202 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -96.5 | -11.4 | -169.2 | 62.4 | 0 | 0 | 0 | 0 | 114.1 | I343 F349 V446 T450 | I343-T347 HydrophobicContact CG2-CG2 4.35Å; I343-T347 PolarHBondContact O-N 3.1Å; I343-T347 PolarHBondContact O-OG1 3.43Å; T347-F349 VanDerWaalsContact CB-CE2 3.5Å; T347-F349 VanDerWaalsContact CB-CZ 3.47Å; T347-F349 HydrophobicContact CG2-CD2 4.24Å; T347-F349 HydrophobicContact CG2-CE1 4.41Å; T347-F349 HydrophobicContact CG2-CE2 3.63Å; T347-F349 HydrophobicContact CG2-CZ 3.73Å; T347-F349 PolarHBondContact O-N 2.81Å; T347-F349 WeakPolarHBondContact OG1-CD2 3.46Å; T347-F349 WeakPolarHBondContact OG1-CE2 3.45Å; T347-F349 WeakPolarHBondContact OG1-CG 3.22Å; T347-F349 PolarHBondContact OG1-N 2.66Å; T347-V446 HydrophobicContact CG2-CG1 3.83Å; T347-T450 HydrophobicContact CG2-CG2 4.16Å |
| 348 | K | 75.1 | Confident | 82.7 | Confident | 186 Ų | 186 | 62.4 Ų | 62.4 | 81% | 0.809 | 30% | 0.297 | S | S | * | . | trans | 58.1 | 31.1 | -172.6 | -50.8 | 175.7 | -175.7 | 173.4 | 0 | 113.2 | Q344 | Q344-K348 WeakPolarHBondContact O-CA 3.31Å; Q344-K348 PolarHBondContact O-N 2.72Å | ||
| 349 | F | 76.3 | Confident | 82.6 | Confident | 46 Ų | 46 | 61.5 Ų | 61.5 | 20% | 0.202 | 29% | 0.293 | C | S | . | . | trans | -65.4 | 143.7 | 173 | -63.8 | -29.8 | 0 | 0 | 0 | 111.3 | I343 Q344 T347 V353 M354 A449 T450 L453 | I343-F349 HydrophobicContact CG2-CD2 3.94Å; I343-F349 HydrophobicContact CG2-CE2 4.02Å; Q344-F349 WeakPolarHBondContact CG-O 3.47Å; T347-F349 VanDerWaalsContact CB-CE2 3.5Å; T347-F349 VanDerWaalsContact CB-CZ 3.47Å; T347-F349 HydrophobicContact CG2-CD2 4.24Å; T347-F349 HydrophobicContact CG2-CE1 4.41Å; T347-F349 HydrophobicContact CG2-CE2 3.63Å; T347-F349 HydrophobicContact CG2-CZ 3.73Å; T347-F349 PolarHBondContact O-N 2.81Å; T347-F349 WeakPolarHBondContact OG1-CD2 3.46Å; T347-F349 WeakPolarHBondContact OG1-CE2 3.45Å; T347-F349 WeakPolarHBondContact OG1-CG 3.22Å; T347-F349 PolarHBondContact OG1-N 2.66Å; F349-V353 HydrophobicContact CB-CB 3.96Å; F349-V353 HydrophobicContact CB-CG1 3.97Å; F349-V353 HydrophobicContact CB-CG2 4.32Å; F349-V353 HydrophobicContact CD2-CG1 4.2Å; F349-V353 HydrophobicContact CG-CG1 4.06Å; F349-M354 HydrophobicContact CB-SD 4.19Å; F349-M354 HydrophobicContact CD2-SD 4.31Å; F349-A449 HydrophobicContact CE2-CB 4.15Å; F349-T450 HydrophobicContact CZ-CG2 4.11Å; F349-L453 HydrophobicContact CD1-CD1 4.18Å; F349-L453 HydrophobicContact CD2-CD1 3.69Å; F349-L453 HydrophobicContact CE1-CD1 3.79Å; F349-L453 HydrophobicContact CE2-CD1 3.28Å; F349-L453 HydrophobicContact CG-CD1 4.16Å; F349-L453 HydrophobicContact CZ-CD1 3.34Å | ||
| 350 | D | 79.1 | Confident | 82.3 | Confident | 110 Ų | 110 | 62.7 Ų | 62.7 | 59% | 0.588 | 30% | 0.301 | S | S | * | . | trans | -63.8 | 154.5 | 175.8 | -67.8 | -49.1 | 0 | 0 | 0 | 111.2 | V352 V353 M354 | D350-V352 PolarHBondContact O-N 2.65Å; D350-V353 HydrophobicContact CB-CG2 4.24Å; D350-V353 WeakPolarHBondContact O-CB 3.45Å; D350-V353 PolarHBondContact O-N 2.94Å; D350-M354 PolarHBondContact O-N 3.39Å | ||
| 351 | K | 82.6 | Confident | 82.2 | Confident | 149 Ų | 149 | 62.4 Ų | 62.4 | 65% | 0.648 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -53.4 | -38.8 | 176.2 | -69.4 | -178.6 | 176 | -168 | 0 | 112.3 | Q344 V353 M354 E355 | Q344-K351 VanDerWaalsContact NE2-CG 3.34Å; K351-V353 VanDerWaalsContact C-N 3.28Å; K351-V353 PolarHBondContact O-N 3.15Å; K351-M354 WeakPolarHBondContact O-CB 3.34Å; K351-M354 PolarHBondContact O-N 3.43Å; K351-E355 WeakPolarHBondContact O-CG 3.39Å; K351-E355 PolarHBondContact O-N 3.03Å |
| 352 | V | 80.9 | Confident | 81.9 | Confident | 57 Ų | 57 | 60.4 Ų | 60.4 | 35% | 0.345 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.2 | -33.2 | 176.3 | -172.5 | 0 | 0 | 0 | 0 | 112.5 | D350 F356 Y462 F465 V466 | D350-V352 PolarHBondContact O-N 2.65Å; V352-F356 VanDerWaalsContact O-CB 3.3Å; V352-F356 WeakPolarHBondContact O-CB 3.48Å; V352-F356 PolarHBondContact O-N 3.02Å; V352-Y462 HydrophobicContact CG1-CE2 4.28Å; V352-F465 HydrophobicContact CG1-CD1 3.8Å; V352-F465 HydrophobicContact CG1-CE1 3.71Å; V352-F465 WeakPolarHBondContact O-CE1 3.41Å; V352-V466 HydrophobicContact CG1-CG2 4.1Å |
| 353 | V | 82.3 | Confident | 81.5 | Confident | 10 Ų | 10 | 60 Ų | 60 | 6% | 0.061 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.2 | -40.1 | 173.3 | -179 | 0 | 0 | 0 | 0 | 110.3 | F349 D350 K351 F356 L357 L453 Y462 | F349-V353 HydrophobicContact CB-CB 3.96Å; F349-V353 HydrophobicContact CB-CG1 3.97Å; F349-V353 HydrophobicContact CB-CG2 4.32Å; F349-V353 HydrophobicContact CD2-CG1 4.2Å; F349-V353 HydrophobicContact CG-CG1 4.06Å; D350-V353 HydrophobicContact CB-CG2 4.24Å; D350-V353 WeakPolarHBondContact O-CB 3.45Å; D350-V353 PolarHBondContact O-N 2.94Å; K351-V353 VanDerWaalsContact C-N 3.28Å; K351-V353 PolarHBondContact O-N 3.15Å; V353-F356 PolarHBondContact O-N 2.98Å; V353-L357 HydrophobicContact CG1-CD1 4.31Å; V353-L357 HydrophobicContact CG1-CG 4.37Å; V353-L357 VanDerWaalsContact O-CG 3.31Å; V353-L357 WeakPolarHBondContact O-CG 3.14Å; V353-L357 PolarHBondContact O-N 3.32Å; V353-L453 HydrophobicContact CG1-CD1 3.64Å; V353-L453 HydrophobicContact CG1-CD2 3.85Å; V353-L453 HydrophobicContact CG1-CG 4.41Å; V353-Y462 HydrophobicContact CB-CE2 4.21Å; V353-Y462 HydrophobicContact CG2-CE1 4.33Å; V353-Y462 HydrophobicContact CG2-CE2 3.64Å; V353-Y462 VanDerWaalsContact CG2-OH 3.29Å; V353-Y462 WeakPolarHBondContact CG2-OH 3.07Å |
| 354 | M | 81.1 | Confident | 81.2 | Confident | 15 Ų | 15 | 63.9 Ų | 63.9 | 7% | 0.074 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.3 | -40.3 | -179.7 | -59 | -52.1 | -49.2 | 0 | 0 | 112 | L340 I343 Q344 F349 D350 K351 L357 H358 | L340-M354 HydrophobicContact CB-CE 3.66Å; L340-M354 HydrophobicContact CD2-CE 3.8Å; L340-M354 HydrophobicContact CG-CE 4.31Å; L340-M354 WeakPolarHBondContact O-CE 3.39Å; I343-M354 HydrophobicContact CB-CE 4.14Å; I343-M354 HydrophobicContact CG2-CE 4.16Å; I343-M354 HydrophobicContact CG2-SD 4.15Å; Q344-M354 HydrophobicContact CB-CG 3.96Å; Q344-M354 HydrophobicContact CB-SD 4.05Å; Q344-M354 HydrophobicContact CG-CG 4.04Å; F349-M354 HydrophobicContact CB-SD 4.19Å; F349-M354 HydrophobicContact CD2-SD 4.31Å; D350-M354 PolarHBondContact O-N 3.39Å; K351-M354 WeakPolarHBondContact O-CB 3.34Å; K351-M354 PolarHBondContact O-N 3.43Å; M354-L357 HydrophobicContact CE-CD1 4.47Å; M354-L357 PolarHBondContact O-N 2.97Å; M354-L357 HydrophobicContact SD-CD1 4.43Å; M354-H358 WeakPolarHBondContact O-CB 3.48Å; M354-H358 PolarHBondContact O-N 3.12Å |
| 355 | E | 84.2 | Confident | 80.8 | Confident | 104 Ų | 104 | 62.7 Ų | 62.7 | 49% | 0.486 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.4 | -48.3 | 170.4 | -72.4 | 158.7 | -169.3 | 0 | 0 | 110.5 | K351 L357 H358 E359 F465 | K351-E355 WeakPolarHBondContact O-CG 3.39Å; K351-E355 PolarHBondContact O-N 3.03Å; E355-L357 PolarHBondContact O-N 3.14Å; E355-H358 PolarHBondContact O-N 3.34Å; E355-E359 WeakPolarHBondContact O-CB 3.45Å; E355-E359 WeakPolarHBondContact O-CG 3.47Å; E355-E359 PolarHBondContact O-N 3.44Å; E355-F465 HydrophobicContact CB-CE1 4.4Å; E355-F465 HydrophobicContact CB-CZ 4.41Å |
| 356 | F | 83.9 | Confident | 80.5 | Confident | 1 Ų | 1 | 61 Ų | 61 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.5 | -42.2 | 174.8 | 174.5 | -104 | 0 | 0 | 0 | 113.7 | V352 V353 E359 C360 V458 R461 Y462 F465 P471 F472 | V352-F356 VanDerWaalsContact O-CB 3.3Å; V352-F356 WeakPolarHBondContact O-CB 3.48Å; V352-F356 PolarHBondContact O-N 3.02Å; V353-F356 PolarHBondContact O-N 2.98Å; F356-E359 PolarHBondContact O-N 3.37Å; F356-C360 VanDerWaalsContact O-CB 3.29Å; F356-C360 WeakPolarHBondContact O-CB 3.17Å; F356-C360 PolarHBondContact O-N 3.35Å; F356-V458 HydrophobicContact CE1-CG1 3.76Å; F356-V458 HydrophobicContact CZ-CG1 4.12Å; F356-R461 HydrophobicContact CE2-CB 4.05Å; F356-R461 HydrophobicContact CZ-CB 3.81Å; F356-Y462 HydrophobicContact CB-CD2 3.99Å; F356-Y462 HydrophobicContact CB-CE2 4.42Å; F356-Y462 AromaticContact CD1-CD2 3.84Å; F356-Y462 HydrophobicContact CD1-CD2 3.84Å; F356-Y462 HydrophobicContact CD1-CG 4.41Å; F356-Y462 HydrophobicContact CD2-CD2 4.44Å; F356-Y462 HydrophobicContact CE1-CD2 4.46Å; F356-Y462 AromaticContact CG-CD2 3.82Å; F356-Y462 HydrophobicContact CG-CD2 3.82Å; F356-F465 HydrophobicContact CB-CD1 3.66Å; F356-F465 HydrophobicContact CB-CE1 3.81Å; F356-F465 HydrophobicContact CB-CG 4.23Å; F356-F465 HydrophobicContact CD2-CB 3.77Å; F356-F465 HydrophobicContact CD2-CD1 4.08Å; F356-F465 HydrophobicContact CD2-CD2 4.25Å; F356-F465 AromaticContact CD2-CG 3.77Å; F356-F465 HydrophobicContact CD2-CG 3.77Å; F356-F465 HydrophobicContact CE2-CB 4.3Å; F356-F465 HydrophobicContact CG-CD1 4.26Å; F356-F465 HydrophobicContact CG-CG 4.41Å; F356-P471 HydrophobicContact CD2-CG 4.33Å; F356-P471 HydrophobicContact CE2-CB 4.2Å; F356-P471 HydrophobicContact CE2-CG 4Å; F356-F472 HydrophobicContact CD2-CE2 4.4Å; F356-F472 AromaticContact CE2-CE2 3.99Å; F356-F472 HydrophobicContact CE2-CE2 3.99Å; F356-F472 HydrophobicContact CE2-CZ 4.11Å |
| 357 | L | 84.1 | Confident | 80.5 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 177.1 | -71.6 | -179.9 | 0 | 0 | 0 | 111.3 | F316 V353 M354 E355 C360 M361 A449 I452 L453 | F316-L357 HydrophobicContact CE2-CB 4.35Å; F316-L357 HydrophobicContact CZ-CB 4.44Å; F316-L357 HydrophobicContact CZ-CD1 4.26Å; F316-L357 HydrophobicContact CZ-CD2 4.14Å; V353-L357 HydrophobicContact CG1-CD1 4.31Å; V353-L357 HydrophobicContact CG1-CG 4.37Å; V353-L357 VanDerWaalsContact O-CG 3.31Å; V353-L357 WeakPolarHBondContact O-CG 3.14Å; V353-L357 PolarHBondContact O-N 3.32Å; M354-L357 HydrophobicContact CE-CD1 4.47Å; M354-L357 PolarHBondContact O-N 2.97Å; M354-L357 HydrophobicContact SD-CD1 4.43Å; E355-L357 PolarHBondContact O-N 3.14Å; L357-C360 WeakPolarHBondContact O-CB 3.48Å; L357-C360 PolarHBondContact O-N 3.23Å; L357-M361 WeakPolarHBondContact O-CG 3.43Å; L357-M361 PolarHBondContact O-N 3.38Å; L357-M361 VanDerWaalsContact O-N 3.14Å; L357-A449 HydrophobicContact CD1-CB 4.23Å; L357-I452 HydrophobicContact CD2-CG2 3.9Å; L357-L453 HydrophobicContact CD1-CD1 4.4Å; L357-L453 HydrophobicContact CD2-CD2 4.41Å |
| 358 | H | 84.6 | Confident | 80.3 | Confident | 62 Ų | 62 | 61.9 Ų | 61.9 | 29% | 0.287 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 174.4 | -178.5 | -102.9 | 0 | 0 | 0 | 111.5 | H336 L340 M354 E355 C360 M361 V362 | H336-H358 AromaticContact CD2-CD2 3.93Å; H336-H358 AromaticContact NE2-CD2 3.73Å; L340-H358 HydrophobicContact CD1-CB 4.13Å; M354-H358 WeakPolarHBondContact O-CB 3.48Å; M354-H358 PolarHBondContact O-N 3.12Å; E355-H358 PolarHBondContact O-N 3.34Å; H358-C360 VanDerWaalsContact C-N 3.31Å; H358-C360 PolarHBondContact O-N 3.41Å; H358-M361 WeakPolarHBondContact O-CB 3.26Å; H358-M361 PolarHBondContact O-N 2.91Å; H358-M361 VanDerWaalsContact O-N 3.08Å; H358-V362 WeakPolarHBondContact O-CG2 3.47Å; H358-V362 PolarHBondContact O-N 3.11Å |
| 359 | E | 84.3 | Confident | 80.4 | Confident | 65 Ų | 65 | 53.5 Ų | 53.5 | 30% | 0.304 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.8 | -36.5 | 174.6 | -76.6 | -174.5 | -154.1 | 0 | 0 | 113 | E355 F356 M361 V362 N363 F465 | E355-E359 WeakPolarHBondContact O-CB 3.45Å; E355-E359 WeakPolarHBondContact O-CG 3.47Å; E355-E359 PolarHBondContact O-N 3.44Å; F356-E359 PolarHBondContact O-N 3.37Å; E359-M361 VanDerWaalsContact C-N 3.27Å; E359-M361 PolarHBondContact O-N 3.39Å; E359-V362 PolarHBondContact O-N 2.79Å; E359-N363 VanDerWaalsContact O-CB 3.3Å; E359-N363 WeakPolarHBondContact O-CB 3.42Å; E359-N363 PolarHBondContact O-N 3.3Å; E359-N363 PolarHBondContact O-ND2 2.9Å; E359-N363 VanDerWaalsContact O-ND2 3.14Å; E359-F465 WeakPolarHBondContact OE1-CE2 3.4Å; E359-F465 WeakPolarHBondContact OE1-CZ 3.27Å; E359-F465 WeakPolarHBondContact OE2-CE2 3.31Å |
| 360 | C | 80.3 | Confident | 80.3 | Confident | 35 Ų | 35 | 55.5 Ų | 55.5 | 24% | 0.236 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.6 | -39.2 | 173.4 | -169.9 | 0 | 0 | 0 | 0 | 111.4 | F356 L357 H358 K364 F472 | F356-C360 VanDerWaalsContact O-CB 3.29Å; F356-C360 WeakPolarHBondContact O-CB 3.17Å; F356-C360 PolarHBondContact O-N 3.35Å; L357-C360 WeakPolarHBondContact O-CB 3.48Å; L357-C360 PolarHBondContact O-N 3.23Å; H358-C360 VanDerWaalsContact C-N 3.31Å; H358-C360 PolarHBondContact O-N 3.41Å; C360-K364 WeakPolarHBondContact O-CB 3.47Å; C360-K364 PolarHBondContact O-N 3.08Å; C360-F472 HydrophobicContact CB-CE1 4.47Å; C360-F472 HydrophobicContact CB-CZ 3.78Å |
| 361 | M | 81.8 | Confident | 79.8 | Confident | 12 Ų | 12 | 56.1 Ų | 56.1 | 6% | 0.059 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.2 | -42.7 | 174.3 | -63.7 | -51.3 | -60.1 | 0 | 0 | 112.7 | C314 S315 F316 L331 L357 H358 E359 N363 K364 F365 | C314-M361 HydrophobicContact CB-CE 4.28Å; S315-M361 PolarHBondContact OG-SD 2.96Å; S315-M361 VanDerWaalsContact OG-SD 3.35Å; F316-M361 HydrophobicContact CD2-CG 3.89Å; F316-M361 HydrophobicContact CD2-SD 4.06Å; F316-M361 HydrophobicContact CE2-CG 3.82Å; F316-M361 HydrophobicContact CE2-SD 3.91Å; L331-M361 HydrophobicContact CD2-CB 4.28Å; L357-M361 WeakPolarHBondContact O-CG 3.43Å; L357-M361 PolarHBondContact O-N 3.38Å; L357-M361 VanDerWaalsContact O-N 3.14Å; H358-M361 WeakPolarHBondContact O-CB 3.26Å; H358-M361 PolarHBondContact O-N 2.91Å; H358-M361 VanDerWaalsContact O-N 3.08Å; E359-M361 VanDerWaalsContact C-N 3.27Å; E359-M361 PolarHBondContact O-N 3.39Å; M361-N363 VanDerWaalsContact C-N 3.34Å; M361-N363 PolarHBondContact O-N 2.79Å; M361-K364 HydrophobicContact CE-CD 4.31Å; M361-K364 WeakPolarHBondContact O-CB 3.29Å; M361-K364 PolarHBondContact O-N 3.14Å; M361-F365 WeakPolarHBondContact O-CB 3.27Å; M361-F365 PolarHBondContact O-N 2.84Å |
| 362 | V | 80.4 | Confident | 79.1 | Confident | 32 Ų | 32 | 51.1 Ų | 51.1 | 19% | 0.194 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64 | -38.3 | 176 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | L331 H358 E359 F365 K366 | L331-V362 HydrophobicContact CD1-CG2 4.36Å; H358-V362 WeakPolarHBondContact O-CG2 3.47Å; H358-V362 PolarHBondContact O-N 3.11Å; E359-V362 PolarHBondContact O-N 2.79Å; V362-F365 WeakPolarHBondContact O-CB 3.08Å; V362-F365 PolarHBondContact O-N 2.76Å; V362-K366 HydrophobicContact CG1-CD 4.29Å; V362-K366 WeakPolarHBondContact O-CG 3.32Å; V362-K366 PolarHBondContact O-N 2.67Å |
| 363 | N | 79.2 | Confident | 78.4 | Confident | 39 Ų | 39 | 53 Ų | 53 | 21% | 0.209 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -76.9 | -31.1 | 177.2 | -70.1 | -37.7 | 0 | 0 | 0 | 112.3 | E359 M361 F365 K367 F472 | E359-N363 VanDerWaalsContact O-CB 3.3Å; E359-N363 WeakPolarHBondContact O-CB 3.42Å; E359-N363 PolarHBondContact O-N 3.3Å; E359-N363 PolarHBondContact O-ND2 2.9Å; E359-N363 VanDerWaalsContact O-ND2 3.14Å; M361-N363 VanDerWaalsContact C-N 3.34Å; M361-N363 PolarHBondContact O-N 2.79Å; N363-F365 VanDerWaalsContact C-N 3.34Å; N363-K367 VanDerWaalsContact O-CB 3.28Å; N363-K367 WeakPolarHBondContact O-CB 3.43Å; N363-K367 PolarHBondContact O-N 2.99Å; N363-F472 HydrophobicContact CB-CB 4.23Å; N363-F472 HydrophobicContact CB-CD1 3.79Å; N363-F472 HydrophobicContact CB-CD2 4.43Å; N363-F472 HydrophobicContact CB-CE1 4.24Å; N363-F472 HydrophobicContact CB-CG 3.9Å; N363-F472 WeakPolarHBondContact ND2-CB 3.31Å; N363-F472 WeakPolarHBondContact ND2-CD2 3.3Å; N363-F472 WeakPolarHBondContact ND2-CG 3.33Å |
| 364 | K | 79.7 | Confident | 77.6 | Confident | 81 Ų | 81 | 58.8 Ų | 58.8 | 35% | 0.352 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.1 | -47.5 | 165 | -172.8 | -172.4 | 177.4 | -163.1 | 0 | 110.2 | T313 C360 M361 K367 T368 | T313-K364 PolarHBondContact O-NZ 3.14Å; T313-K364 PolarHBondContact OG1-NZ 2.92Å; C360-K364 WeakPolarHBondContact O-CB 3.47Å; C360-K364 PolarHBondContact O-N 3.08Å; M361-K364 HydrophobicContact CE-CD 4.31Å; M361-K364 WeakPolarHBondContact O-CB 3.29Å; M361-K364 PolarHBondContact O-N 3.14Å; K364-K367 PolarHBondContact O-N 3.49Å; K364-T368 PolarHBondContact O-N 3.15Å; K364-T368 PolarHBondContact O-OG1 2.92Å |
| 365 | F | 77.6 | Confident | 76.7 | Confident | 24 Ų | 24 | 60 Ų | 60 | 11% | 0.105 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.4 | -56.1 | 174.8 | 163.8 | -108.4 | 0 | 0 | 0 | 111.8 | F312 E324 I327 E328 L331 M361 V362 N363 K367 T368 S369 | F312-F365 AromaticContact CD1-CD2 3.57Å; F312-F365 HydrophobicContact CD1-CD2 3.57Å; F312-F365 AromaticContact CD1-CE2 3.95Å; F312-F365 HydrophobicContact CD1-CE2 3.95Å; F312-F365 AromaticContact CE1-CD2 3.55Å; F312-F365 HydrophobicContact CE1-CD2 3.55Å; F312-F365 AromaticContact CE1-CE2 3.57Å; F312-F365 HydrophobicContact CE1-CE2 3.57Å; F312-F365 HydrophobicContact CG-CD2 4.43Å; F312-F365 HydrophobicContact CZ-CD2 4.41Å; F312-F365 HydrophobicContact CZ-CE2 4Å; E324-F365 HydrophobicContact CG-CE2 3.9Å; E324-F365 HydrophobicContact CG-CZ 3.82Å; I327-F365 HydrophobicContact CB-CD2 4.46Å; I327-F365 HydrophobicContact CG1-CD2 4.1Å; I327-F365 HydrophobicContact CG2-CD2 3.5Å; I327-F365 HydrophobicContact CG2-CE2 3.32Å; I327-F365 HydrophobicContact CG2-CZ 4.34Å; E328-F365 HydrophobicContact CG-CE1 4.06Å; E328-F365 HydrophobicContact CG-CE2 4.41Å; E328-F365 HydrophobicContact CG-CZ 3.68Å; L331-F365 HydrophobicContact CD1-CB 4.22Å; L331-F365 HydrophobicContact CD1-CG 4.32Å; M361-F365 WeakPolarHBondContact O-CB 3.27Å; M361-F365 PolarHBondContact O-N 2.84Å; V362-F365 WeakPolarHBondContact O-CB 3.08Å; V362-F365 PolarHBondContact O-N 2.76Å; N363-F365 VanDerWaalsContact C-N 3.34Å; F365-K367 VanDerWaalsContact C-N 3.31Å; F365-K367 PolarHBondContact O-N 3.35Å; F365-T368 WeakPolarHBondContact CA-OG1 3.45Å; F365-T368 CarbonylContact O-C 3.56Å; F365-T368 WeakPolarHBondContact O-CA 3.48Å; F365-T368 PolarHBondContact O-N 3.31Å; F365-T368 PolarHBondContact O-OG1 3.36Å; F365-S369 PolarHBondContact O-N 2.87Å; F365-S369 PolarHBondContact O-OG 2.95Å |
| 366 | K | 79.5 | Confident | 75.4 | Confident | 108 Ų | 108 | 58 Ų | 58 | 47% | 0.47 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -55.5 | -41.9 | 178 | -72.5 | 173.3 | -179.2 | 175.2 | 0 | 112.6 | V362 S369 I370 | V362-K366 HydrophobicContact CG1-CD 4.29Å; V362-K366 WeakPolarHBondContact O-CG 3.32Å; V362-K366 PolarHBondContact O-N 2.67Å; K366-S369 WeakPolarHBondContact CA-OG 3.44Å; K366-S369 PolarHBondContact O-N 2.98Å; K366-S369 PolarHBondContact O-OG 3.38Å; K366-S369 VanDerWaalsContact O-OG 3.06Å; K366-I370 WeakPolarHBondContact O-CB 3.42Å; K366-I370 WeakPolarHBondContact O-CD1 3.33Å; K366-I370 VanDerWaalsContact O-CG1 3.23Å; K366-I370 WeakPolarHBondContact O-CG1 3.39Å; K366-I370 PolarHBondContact O-N 3.25Å |
| 367 | K | 78.7 | Confident | 73.9 | Confident | 136 Ų | 136 | 64.6 Ų | 64.6 | 59% | 0.591 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -65.6 | -38.3 | 176.3 | -169.9 | 173 | -176.5 | 176.3 | 0 | 111.9 | N363 K364 F365 R371 | N363-K367 VanDerWaalsContact O-CB 3.28Å; N363-K367 WeakPolarHBondContact O-CB 3.43Å; N363-K367 PolarHBondContact O-N 2.99Å; K364-K367 PolarHBondContact O-N 3.49Å; F365-K367 VanDerWaalsContact C-N 3.31Å; F365-K367 PolarHBondContact O-N 3.35Å; K367-R371 WeakPolarHBondContact O-CB 3.3Å; K367-R371 PolarHBondContact O-N 3.29Å |
| 368 | T | 71.4 | Confident | 72.3 | Confident | 27 Ų | 27 | 72.1 Ų | 72.1 | 17% | 0.166 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -71.7 | -35.8 | 173.6 | 45.7 | 0 | 0 | 0 | 0 | 113.4 | F312 K364 F365 R371 K372 | F312-T368 WeakPolarHBondContact CD1-OG1 3.06Å; F312-T368 WeakPolarHBondContact CE1-OG1 3.18Å; K364-T368 PolarHBondContact O-N 3.15Å; K364-T368 PolarHBondContact O-OG1 2.92Å; F365-T368 WeakPolarHBondContact CA-OG1 3.45Å; F365-T368 CarbonylContact O-C 3.56Å; F365-T368 WeakPolarHBondContact O-CA 3.48Å; F365-T368 PolarHBondContact O-N 3.31Å; F365-T368 PolarHBondContact O-OG1 3.36Å; T368-R371 PolarHBondContact O-N 2.89Å; T368-K372 VanDerWaalsContact O-CB 3.26Å; T368-K372 WeakPolarHBondContact O-CB 3.44Å; T368-K372 PolarHBondContact O-N 3.49Å |
| 369 | S | 76.3 | Confident | 70.7 | Confident | 9 Ų | 9 | 71.3 Ų | 71.3 | 6% | 0.063 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -71.5 | -43 | 177.8 | 58.5 | 0 | 0 | 0 | 0 | 111.5 | E324 F365 K366 R371 K372 Q373 | E324-S369 WeakPolarHBondContact OE1-CB 3.48Å; F365-S369 PolarHBondContact O-N 2.87Å; F365-S369 PolarHBondContact O-OG 2.95Å; K366-S369 WeakPolarHBondContact CA-OG 3.44Å; K366-S369 PolarHBondContact O-N 2.98Å; K366-S369 PolarHBondContact O-OG 3.38Å; K366-S369 VanDerWaalsContact O-OG 3.06Å; S369-R371 PolarHBondContact O-N 3.5Å; S369-K372 CarbonylContact O-C 3.51Å; S369-K372 PolarHBondContact O-N 2.96Å; S369-K372 VanDerWaalsContact O-N 3.12Å; S369-Q373 WeakPolarHBondContact O-CB 3.28Å; S369-Q373 VanDerWaalsContact O-CG 3.26Å; S369-Q373 WeakPolarHBondContact O-CG 3.23Å; S369-Q373 PolarHBondContact O-N 2.82Å |
| 370 | I | 75 | Confident | 68.8 | Low | 89 Ų | 89 | 74.7 Ų | 74.7 | 46% | 0.456 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -56.9 | -48.1 | 172.1 | -68.5 | 164.5 | 0 | 0 | 0 | 110.7 | K366 K372 Q373 Q374 | K366-I370 WeakPolarHBondContact O-CB 3.42Å; K366-I370 WeakPolarHBondContact O-CD1 3.33Å; K366-I370 VanDerWaalsContact O-CG1 3.23Å; K366-I370 WeakPolarHBondContact O-CG1 3.39Å; K366-I370 PolarHBondContact O-N 3.25Å; I370-K372 VanDerWaalsContact C-N 3.33Å; I370-K372 PolarHBondContact O-N 3.43Å; I370-Q373 PolarHBondContact O-N 2.96Å; I370-Q374 VanDerWaalsContact O-CG 3.32Å; I370-Q374 WeakPolarHBondContact O-CG 3.29Å; I370-Q374 PolarHBondContact O-N 2.91Å |
| 371 | R | 67.6 | Low | 67.1 | Low | 122 Ų | 122 | 78.2 Ų | 78.2 | 46% | 0.46 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.9 | -44.7 | 175.3 | -179.8 | 178.2 | -74.8 | 177.9 | -4.8 | 111.4 | K367 T368 S369 Q374 T375 | K367-R371 WeakPolarHBondContact O-CB 3.3Å; K367-R371 PolarHBondContact O-N 3.29Å; T368-R371 PolarHBondContact O-N 2.89Å; S369-R371 PolarHBondContact O-N 3.5Å; R371-Q374 PolarHBondContact O-N 3.27Å; R371-T375 PolarHBondContact O-N 3.44Å; R371-T375 VanDerWaalsContact O-N 3.11Å; R371-T375 PolarHBondContact O-OG1 3.48Å; R371-T375 VanDerWaalsContact O-OG1 3.09Å |
| 372 | K | 69 | Low | 65.6 | Low | 44 Ų | 44 | 82.1 Ų | 82.1 | 19% | 0.191 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 179.1 | -172.1 | -177 | 175.8 | -163.9 | 0 | 111.6 | M310 F312 F322 T368 S369 I370 T375 N376 | M310-K372 HydrophobicContact CE-CG 3.82Å; F312-K372 HydrophobicContact CE2-CD 3.87Å; F312-K372 HydrophobicContact CZ-CD 3.93Å; F322-K372 PolarHBondContact O-NZ 3.45Å; T368-K372 VanDerWaalsContact O-CB 3.26Å; T368-K372 WeakPolarHBondContact O-CB 3.44Å; T368-K372 PolarHBondContact O-N 3.49Å; S369-K372 CarbonylContact O-C 3.51Å; S369-K372 PolarHBondContact O-N 2.96Å; S369-K372 VanDerWaalsContact O-N 3.12Å; I370-K372 VanDerWaalsContact C-N 3.33Å; I370-K372 PolarHBondContact O-N 3.43Å; K372-T375 WeakPolarHBondContact CA-OG1 3.32Å; K372-T375 CarbonylContact O-C 3.59Å; K372-T375 PolarHBondContact O-N 2.95Å; K372-T375 PolarHBondContact O-OG1 3.34Å; K372-N376 VanDerWaalsContact O-CB 3.31Å; K372-N376 WeakPolarHBondContact O-CB 3.36Å; K372-N376 PolarHBondContact O-N 2.93Å |
| 373 | Q | 66 | Low | 64.2 | Low | 97 Ų | 97 | 87.7 Ų | 87.7 | 45% | 0.453 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 177.6 | -71.5 | 171.9 | 16.1 | 0 | 0 | 111.2 | E324 S369 I370 T375 N376 N377 | E324-Q373 PolarHBondContact OE1-NE2 2.71Å; S369-Q373 WeakPolarHBondContact O-CB 3.28Å; S369-Q373 VanDerWaalsContact O-CG 3.26Å; S369-Q373 WeakPolarHBondContact O-CG 3.23Å; S369-Q373 PolarHBondContact O-N 2.82Å; I370-Q373 PolarHBondContact O-N 2.96Å; Q373-T375 VanDerWaalsContact C-N 3.35Å; Q373-T375 PolarHBondContact O-N 2.87Å; Q373-N376 PolarHBondContact O-N 2.85Å; Q373-N377 PolarHBondContact O-ND2 2.93Å |
| 374 | Q | 65.4 | Low | 62.9 | Low | 131 Ų | 131 | 92.7 Ų | 92.7 | 61% | 0.612 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -60.1 | -41.1 | 174.7 | -72.3 | 172.9 | -3.5 | 0 | 0 | 112.5 | I370 R371 | I370-Q374 VanDerWaalsContact O-CG 3.32Å; I370-Q374 WeakPolarHBondContact O-CG 3.29Å; I370-Q374 PolarHBondContact O-N 2.91Å; R371-Q374 PolarHBondContact O-N 3.27Å |
| 375 | T | 61.3 | Low | 61.5 | Low | 41 Ų | 41 | 94.1 Ų | 94.1 | 25% | 0.252 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -76.1 | -26.8 | 175.1 | 49.9 | 0 | 0 | 0 | 0 | 114.1 | M310 R371 K372 Q373 N377 Q378 T379 | M310-T375 WeakPolarHBondContact CE-OG1 3.4Å; R371-T375 PolarHBondContact O-N 3.44Å; R371-T375 VanDerWaalsContact O-N 3.11Å; R371-T375 PolarHBondContact O-OG1 3.48Å; R371-T375 VanDerWaalsContact O-OG1 3.09Å; K372-T375 WeakPolarHBondContact CA-OG1 3.32Å; K372-T375 CarbonylContact O-C 3.59Å; K372-T375 PolarHBondContact O-N 2.95Å; K372-T375 PolarHBondContact O-OG1 3.34Å; Q373-T375 VanDerWaalsContact C-N 3.35Å; Q373-T375 PolarHBondContact O-N 2.87Å; T375-N377 PolarHBondContact O-N 3.34Å; T375-Q378 PolarHBondContact O-N 3.04Å; T375-T379 PolarHBondContact O-N 2.96Å |
| 376 | N | 56.8 | Low | 60.3 | Low | 63 Ų | 63 | 101.4 Ų | 101.4 | 34% | 0.337 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65 | -31.4 | -173.4 | -161.7 | 13.3 | 0 | 0 | 0 | 112 | K372 Q373 Q378 T379 E380 | K372-N376 VanDerWaalsContact O-CB 3.31Å; K372-N376 WeakPolarHBondContact O-CB 3.36Å; K372-N376 PolarHBondContact O-N 2.93Å; Q373-N376 PolarHBondContact O-N 2.85Å; N376-Q378 PolarHBondContact O-N 2.81Å; N376-T379 WeakPolarHBondContact CA-OG1 3.29Å; N376-T379 PolarHBondContact O-N 3.24Å; N376-T379 PolarHBondContact O-OG1 2.94Å; N376-T379 PolarHBondContact OD1-OG1 3.4Å; N376-T379 VanDerWaalsContact OD1-OG1 3.1Å; N376-E380 PolarHBondContact O-N 3.12Å |
| 377 | N | 52.3 | Low | 59.1 | Low | 138 Ų | 138 | 101.7 Ų | 101.7 | 74% | 0.738 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.7 | -14.5 | 172.4 | -62.6 | -37.4 | 0 | 0 | 0 | 114.2 | Q373 T375 | Q373-N377 PolarHBondContact O-ND2 2.93Å; T375-N377 PolarHBondContact O-N 3.34Å |
| 378 | Q | 51.1 | Low | 58 | Low | 159 Ų | 159 | 100 Ų | 100 | 74% | 0.743 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -104.4 | -21.3 | 173.1 | -62 | -176.6 | 6.6 | 0 | 0 | 112.8 | T375 N376 | T375-Q378 PolarHBondContact O-N 3.04Å; N376-Q378 PolarHBondContact O-N 2.81Å |
| 379 | T | 51 | Low | 57.5 | Low | 46 Ų | 46 | 104.9 Ų | 104.9 | 28% | 0.282 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -90.3 | -7 | -172.4 | 55.1 | 0 | 0 | 0 | 0 | 115.2 | T375 N376 V381 V382 | T375-T379 PolarHBondContact O-N 2.96Å; N376-T379 WeakPolarHBondContact CA-OG1 3.29Å; N376-T379 PolarHBondContact O-N 3.24Å; N376-T379 PolarHBondContact O-OG1 2.94Å; N376-T379 PolarHBondContact OD1-OG1 3.4Å; N376-T379 VanDerWaalsContact OD1-OG1 3.1Å; T379-V381 PolarHBondContact O-N 3.28Å; T379-V381 VanDerWaalsContact O-N 3.17Å; T379-V382 PolarHBondContact O-N 3.01Å |
| 380 | E | 43.9 | Very low | 56.5 | Low | 135 Ų | 135 | 107.1 Ų | 107.1 | 63% | 0.631 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -26.6 | 173 | -62.8 | -159.9 | 137.1 | 0 | 0 | 112.7 | N376 | N376-E380 PolarHBondContact O-N 3.12Š|
| 381 | V | 45.4 | Very low | 55.7 | Low | 110 Ų | 110 | 110.5 Ų | 110.5 | 67% | 0.667 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -22.3 | 175.6 | -175.4 | 0 | 0 | 0 | 0 | 112.8 | T379 | T379-V381 PolarHBondContact O-N 3.28Å; T379-V381 VanDerWaalsContact O-N 3.17Å |
| 382 | V | 50.2 | Low | 55.4 | Low | 93 Ų | 93 | 108 Ų | 108 | 56% | 0.564 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -85.2 | -22.6 | -173.5 | -177.4 | 0 | 0 | 0 | 0 | 112.6 | T379 I384 I385 | T379-V382 PolarHBondContact O-N 3.01Å; V382-I384 PolarHBondContact O-N 2.97Å; V382-I385 PolarHBondContact O-N 3.02Å |
| 383 | K | 51 | Low | 55.1 | Low | 150 Ų | 150 | 108.1 Ų | 108.1 | 65% | 0.652 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -61.5 | -9.3 | 176.3 | -65.8 | 177.7 | -177.2 | 168.9 | 0 | 114.4 | ||
| 384 | I | 50.8 | Low | 54.9 | Low | 143 Ų | 143 | 107.1 Ų | 107.1 | 73% | 0.733 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -89.4 | -8.2 | 179 | -55.4 | 175.9 | 0 | 0 | 0 | 111.5 | V382 | V382-I384 PolarHBondContact O-N 2.97Š|
| 385 | I | 51.3 | Low | 54.8 | Low | 112 Ų | 112 | 105.3 Ų | 105.3 | 57% | 0.574 | 57% | 0.574 | S | S | * | * | trans | -124.1 | 34.4 | -176.7 | -33.9 | -179.2 | 0 | 0 | 0 | 112.2 | V382 K387 | V382-I385 PolarHBondContact O-N 3.02Å; I385-K387 HydrophobicContact CG2-CD 4.39Å; I385-K387 HydrophobicContact CG2-CG 3.94Å; I385-K387 PolarHBondContact O-N 2.56Å | ||
| 386 | E | 53.2 | Low | 55 | Low | 176 Ų | 176 | 110 Ų | 110 | 82% | 0.822 | 60% | 0.598 | S | S | * | * | trans | -69.1 | 84.9 | 140.5 | -73.7 | -171.9 | -173.8 | 0 | 0 | 106.8 | D388 | E386-D388 PolarHBondContact O-N 3.04Š| ||
| 387 | K | 54.4 | Low | 55.7 | Low | 114 Ų | 114 | 111 Ų | 111 | 50% | 0.496 | 60% | 0.604 | S | S | . | * | trans | -57.9 | 110.8 | 166.2 | -76.2 | 177.2 | -178.9 | 177.8 | 0 | 106.1 | Y89 I385 V389 | Y89-K387 PolarHBondContact OH-NZ 2.98Å; Y89-K387 VanDerWaalsContact OH-NZ 3.1Å; I385-K387 HydrophobicContact CG2-CD 4.39Å; I385-K387 HydrophobicContact CG2-CG 3.94Å; I385-K387 PolarHBondContact O-N 2.56Å; K387-V389 PolarHBondContact O-N 2.99Å; K387-V389 VanDerWaalsContact O-N 3.12Å | ||
| 388 | D | 55.5 | Low | 56.5 | Low | 102 Ų | 102 | 112.7 Ų | 112.7 | 55% | 0.545 | 61% | 0.607 | S | S | . | * | trans | -54.9 | 123.2 | -178.1 | -162.7 | -11.3 | 0 | 0 | 0 | 107.4 | E386 M390 E391 | E386-D388 PolarHBondContact O-N 3.04Å; D388-M390 PolarHBondContact O-N 2.74Å; D388-E391 VanDerWaalsContact O-CB 3.3Å; D388-E391 WeakPolarHBondContact O-CB 3.31Å; D388-E391 PolarHBondContact O-N 2.96Å | ||
| 389 | V | 59.5 | Low | 57.3 | Low | 128 Ų | 128 | 111.4 Ų | 111.4 | 78% | 0.776 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -9.8 | -173.7 | -179.4 | 0 | 0 | 0 | 0 | 110.8 | K387 | K387-V389 PolarHBondContact O-N 2.99Å; K387-V389 VanDerWaalsContact O-N 3.12Å |
| 390 | M | 55 | Low | 58.2 | Low | 56 Ų | 56 | 115.6 Ų | 115.6 | 28% | 0.276 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.8 | 2.6 | 173.5 | -55.5 | -62.8 | -72.1 | 0 | 0 | 114.2 | D388 G392 V393 K401 | D388-M390 PolarHBondContact O-N 2.74Å; M390-G392 VanDerWaalsContact C-N 3.33Å; M390-G392 PolarHBondContact O-N 2.83Å; M390-V393 HydrophobicContact CE-CB 3.84Å; M390-V393 HydrophobicContact CE-CG1 3.7Å; M390-V393 HydrophobicContact CE-CG2 3.94Å; M390-V393 PolarHBondContact O-N 2.81Å; M390-V393 HydrophobicContact SD-CG2 4.08Å; M390-K401 HydrophobicContact CG-CB 4.2Å; M390-K401 HydrophobicContact SD-CB 3.99Å |
| 391 | E | 59.5 | Low | 59.5 | Low | 161 Ų | 161 | 114.5 Ų | 114.5 | 75% | 0.752 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | 87.9 | 177.4 | -169.1 | -177.7 | -171.7 | 0 | 0 | 110.8 | D388 | D388-E391 VanDerWaalsContact O-CB 3.3Å; D388-E391 WeakPolarHBondContact O-CB 3.31Å; D388-E391 PolarHBondContact O-N 2.96Å |
| 392 | G | 60.5 | Low | 60.8 | Low | 69 Ų | 69 | 113 Ų | 113 | 71% | 0.711 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 127.5 | -7.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | M390 | M390-G392 VanDerWaalsContact C-N 3.33Å; M390-G392 PolarHBondContact O-N 2.83Å |
| 393 | V | 63.7 | Low | 62.1 | Low | 47 Ų | 47 | 114 Ų | 114 | 29% | 0.285 | 60% | 0.603 | S | S | . | * | trans | -79 | 119.6 | 171 | 178.9 | 0 | 0 | 0 | 0 | 109 | M390 D397 M399 | M390-V393 HydrophobicContact CE-CB 3.84Å; M390-V393 HydrophobicContact CE-CG1 3.7Å; M390-V393 HydrophobicContact CE-CG2 3.94Å; M390-V393 PolarHBondContact O-N 2.81Å; M390-V393 HydrophobicContact SD-CG2 4.08Å; V393-D397 HydrophobicContact CG1-CB 4.2Å; V393-M399 HydrophobicContact CG1-CB 3.89Å | ||
| 394 | T | 61.7 | Low | 63.7 | Low | 76 Ų | 76 | 111 Ų | 111 | 47% | 0.466 | 60% | 0.597 | S | S | . | * | trans | -91.6 | 163.3 | 176.1 | 70 | 0 | 0 | 0 | 0 | 111.1 | D396 D397 | T394-D396 PolarHBondContact O-N 2.77Å; T394-D396 VanDerWaalsContact O-N 3.14Å; T394-D397 WeakPolarHBondContact CA-OD2 3.39Å; T394-D397 WeakPolarHBondContact CB-OD2 3.33Å; T394-D397 PolarHBondContact N-OD2 2.98Å; T394-D397 PolarHBondContact O-N 2.84Å; T394-D397 VanDerWaalsContact O-N 3.14Å; T394-D397 PolarHBondContact OG1-OD2 3.43Å | ||
| 395 | A | 63.5 | Low | 65.3 | Low | 92 Ų | 92 | 107.4 Ų | 107.4 | 76% | 0.76 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -61.9 | -20.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 396 | D | 63.9 | Low | 66.9 | Low | 140 Ų | 140 | 105.8 Ų | 105.8 | 75% | 0.749 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -80.5 | -16.3 | 179.7 | -59.5 | -34.4 | 0 | 0 | 0 | 112.9 | T394 H398 | T394-D396 PolarHBondContact O-N 2.77Å; T394-D396 VanDerWaalsContact O-N 3.14Å; D396-H398 VanDerWaalsContact C-N 3.34Å |
| 397 | D | 73.3 | Confident | 68.5 | Low | 85 Ų | 85 | 98.3 Ų | 98.3 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | G | 310 helix | trans | -82.4 | -12.3 | -179.7 | -62.5 | -62.7 | 0 | 0 | 0 | 113.1 | V393 T394 M399 | V393-D397 HydrophobicContact CG1-CB 4.2Å; T394-D397 WeakPolarHBondContact CA-OD2 3.39Å; T394-D397 WeakPolarHBondContact CB-OD2 3.33Å; T394-D397 PolarHBondContact N-OD2 2.98Å; T394-D397 PolarHBondContact O-N 2.84Å; T394-D397 VanDerWaalsContact O-N 3.14Å; T394-D397 PolarHBondContact OG1-OD2 3.43Å; D397-M399 HydrophobicContact CB-CG 4.29Å; D397-M399 WeakPolarHBondContact O-CG 3.48Å; D397-M399 PolarHBondContact O-N 2.79Å |
| 398 | H | 67.4 | Low | 69.9 | Low | 173 Ų | 173 | 96.2 Ų | 96.2 | 80% | 0.801 | 54% | 0.538 | S | S | * | . | trans | 52.5 | 20.7 | -179 | -56.9 | -49.3 | 0 | 0 | 0 | 115.7 | D396 | D396-H398 VanDerWaalsContact C-N 3.34Š| ||
| 399 | M | 68.2 | Low | 71.4 | Confident | 131 Ų | 131 | 92.5 Ų | 92.5 | 65% | 0.645 | 52% | 0.522 | S | S | * | . | trans | -85.6 | 139.8 | 178.3 | -61.1 | -178.4 | 67.8 | 0 | 0 | 111.2 | V393 D397 | V393-M399 HydrophobicContact CG1-CB 3.89Å; D397-M399 HydrophobicContact CB-CG 4.29Å; D397-M399 WeakPolarHBondContact O-CG 3.48Å; D397-M399 PolarHBondContact O-N 2.79Å | ||
| 400 | M | 71.1 | Confident | 72.6 | Confident | 134 Ų | 134 | 87.9 Ų | 87.9 | 66% | 0.66 | 50% | 0.495 | S | S | * | . | trans | -122.3 | 141.5 | 172.6 | 68.4 | -177.8 | -62.8 | 0 | 0 | 110.9 | V402 | M400-V402 HydrophobicContact CG-CG2 3.97Å; M400-V402 PolarHBondContact O-N 3.01Å; M400-V402 VanDerWaalsContact O-N 3.13Å | ||
| 401 | K | 70.5 | Confident | 74 | Confident | 112 Ų | 112 | 89.6 Ų | 89.6 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | trans | -66.4 | 109.4 | 171.5 | -170.6 | -168.6 | -175.3 | -161.5 | 0 | 108.8 | M390 E403 | M390-K401 HydrophobicContact CG-CB 4.2Å; M390-K401 HydrophobicContact SD-CB 3.99Å; K401-E403 HydrophobicContact CD-CG 4.36Å; K401-E403 VanDerWaalsContact CE-OE1 3.26Å; K401-E403 WeakPolarHBondContact CE-OE1 3.28Å; K401-E403 HydrophobicContact CG-CG 4.45Å; K401-E403 IonicContact NZ-OE1 3.11Å; K401-E403 PolarHBondContact NZ-OE1 2.7Å | ||
| 402 | V | 72.1 | Confident | 75.3 | Confident | 80 Ų | 80 | 85.4 Ų | 85.4 | 49% | 0.485 | 50% | 0.498 | S | S | . | . | trans | -98.9 | 100.4 | 171.5 | -177.2 | 0 | 0 | 0 | 0 | 108.5 | M400 T404 P415 | M400-V402 HydrophobicContact CG-CG2 3.97Å; M400-V402 PolarHBondContact O-N 3.01Å; M400-V402 VanDerWaalsContact O-N 3.13Å; V402-T404 HydrophobicContact CG1-CG2 4.35Å; V402-P415 HydrophobicContact CG1-CB 3.95Å | ||
| 403 | E | 78.9 | Confident | 76.5 | Confident | 113 Ų | 113 | 89.8 Ų | 89.8 | 53% | 0.528 | 49% | 0.494 | S | S | . | . | trans | -68.3 | 146.8 | 166.3 | -66.3 | 176 | 179.5 | 0 | 0 | 109 | K401 A416 | K401-E403 HydrophobicContact CD-CG 4.36Å; K401-E403 VanDerWaalsContact CE-OE1 3.26Å; K401-E403 WeakPolarHBondContact CE-OE1 3.28Å; K401-E403 HydrophobicContact CG-CG 4.45Å; K401-E403 IonicContact NZ-OE1 3.11Å; K401-E403 PolarHBondContact NZ-OE1 2.7Å; E403-A416 HydrophobicContact CB-CB 3.89Å; E403-A416 WeakPolarHBondContact O-CB 3.41Å; E403-A416 PolarHBondContact O-N 2.94Å | ||
| 404 | T | 83.6 | Confident | 77.6 | Confident | 86 Ų | 86 | 88.2 Ų | 88.2 | 53% | 0.528 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 129.9 | -176.7 | 59.1 | 0 | 0 | 0 | 0 | 111 | V402 I414 | V402-T404 HydrophobicContact CG1-CG2 4.35Å; T404-I414 CarbonylContact C-O 3.56Å; T404-I414 WeakPolarHBondContact CA-O 3.38Å |
| 405 | V | 83.8 | Confident | 78.8 | Confident | 69 Ų | 69 | 87 Ų | 87 | 42% | 0.418 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 126.4 | 175.1 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | I414 A416 | V405-I414 PolarHBondContact N-O 3.39Å; V405-I414 PolarHBondContact O-N 3.06Å; V405-A416 HydrophobicContact CG2-CB 3.96Å |
| 406 | H | 85.4 | Confident | 79.8 | Confident | 78 Ų | 78 | 84.9 Ų | 84.9 | 36% | 0.361 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 125.9 | 171.9 | -175.3 | 74.1 | 0 | 0 | 0 | 110.7 | S411 Y413 | H406-S411 PolarHBondContact CE1-O 3.13Å; H406-Y413 HydrophobicContact CB-CD1 3.86Å; H406-Y413 HydrophobicContact CB-CE1 3.76Å; H406-Y413 AromaticContact CG-CE1 3.83Å; H406-Y413 AromaticContact ND1-CD1 3.62Å; H406-Y413 AromaticContact ND1-CD2 3.89Å; H406-Y413 AromaticContact ND1-CE1 3.36Å; H406-Y413 WeakPolarHBondContact ND1-CE1 3.44Å; H406-Y413 AromaticContact ND1-CE2 3.64Å; H406-Y413 AromaticContact ND1-CG 3.89Å; H406-Y413 AromaticContact ND1-CZ 3.38Å |
| 407 | C | 87.5 | Confident | 80.8 | Confident | 18 Ų | 18 | 82.6 Ų | 82.6 | 12% | 0.122 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 99.5 | 173.1 | -173.9 | 0 | 0 | 0 | 0 | 111 | A409 C410 S411 V412 I414 H424 H430 | C407-A409 PolarHBondContact O-N 2.82Å; C407-A409 VanDerWaalsContact O-N 3.15Å; C407-C410 HydrophobicContact CB-CB 4.41Å; C407-C410 CarbonylContact O-C 3.57Å; C407-C410 PolarHBondContact O-N 3.05Å; C407-S411 WeakPolarHBondContact O-CA 3.49Å; C407-S411 PolarHBondContact O-N 3.13Å; C407-V412 PolarHBondContact N-O 3.4Å; C407-I414 HydrophobicContact CB-CD1 3.85Å; C407-H424 PolarHBondContact SG-NE2 3.46Å; C407-H424 VanDerWaalsContact SG-NE2 3.39Å; C407-H430 VanDerWaalsContact SG-CE1 3.58Å |
| 408 | S | 84.3 | Confident | 81.4 | Confident | 70 Ų | 70 | 85.2 Ų | 85.2 | 49% | 0.49 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -29.8 | -178.6 | -43.3 | 0 | 0 | 0 | 0 | 114.2 | C410 | S408-C410 VanDerWaalsContact C-N 3.28Å; S408-C410 PolarHBondContact O-N 3.18Å |
| 409 | A | 85.7 | Confident | 82.3 | Confident | 24 Ų | 24 | 80.3 Ų | 80.3 | 20% | 0.198 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -14.9 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | C407 Y437 | C407-A409 PolarHBondContact O-N 2.82Å; C407-A409 VanDerWaalsContact O-N 3.15Å; A409-Y437 HydrophobicContact CB-CD1 4.03Å; A409-Y437 HydrophobicContact CB-CG 3.88Å |
| 410 | C | 85.4 | Confident | 83.3 | Confident | 31 Ų | 31 | 75.2 Ų | 75.2 | 21% | 0.209 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | -6.5 | 178.5 | -65.3 | 0 | 0 | 0 | 0 | 113.1 | C407 S408 V412 H424 | C407-C410 HydrophobicContact CB-CB 4.41Å; C407-C410 CarbonylContact O-C 3.57Å; C407-C410 PolarHBondContact O-N 3.05Å; S408-C410 VanDerWaalsContact C-N 3.28Å; S408-C410 PolarHBondContact O-N 3.18Å; C410-V412 HydrophobicContact CB-CB 4.45Å; C410-V412 HydrophobicContact CB-CG2 4.36Å; C410-V412 WeakPolarHBondContact O-CG2 3.31Å; C410-V412 PolarHBondContact O-N 2.98Å; C410-V412 VanDerWaalsContact O-N 3.1Å; C410-H424 VanDerWaalsContact SG-CE1 3.59Å |
| 411 | S | 83.3 | Confident | 84.1 | Confident | 93 Ų | 93 | 70.7 Ų | 70.7 | 65% | 0.65 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 19.3 | -168.2 | 64.2 | 0 | 0 | 0 | 0 | 116.2 | H406 C407 | H406-S411 PolarHBondContact CE1-O 3.13Å; C407-S411 WeakPolarHBondContact O-CA 3.49Å; C407-S411 PolarHBondContact O-N 3.13Å |
| 412 | V | 87.3 | Confident | 85 | Confident | 73 Ų | 73 | 69 Ų | 69 | 44% | 0.442 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 138.2 | -179.3 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | C407 C410 I414 | C407-V412 PolarHBondContact N-O 3.4Å; C410-V412 HydrophobicContact CB-CB 4.45Å; C410-V412 HydrophobicContact CB-CG2 4.36Å; C410-V412 WeakPolarHBondContact O-CG2 3.31Å; C410-V412 PolarHBondContact O-N 2.98Å; C410-V412 VanDerWaalsContact O-N 3.1Å; V412-I414 HydrophobicContact CG1-CG1 4.18Å |
| 413 | Y | 86.6 | Confident | 85.9 | Confident | 160 Ų | 160 | 72.1 Ų | 72.1 | 63% | 0.627 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 128.2 | 166.2 | -64.7 | -87.2 | 0 | 0 | 0 | 110.4 | H406 | H406-Y413 HydrophobicContact CB-CD1 3.86Å; H406-Y413 HydrophobicContact CB-CE1 3.76Å; H406-Y413 AromaticContact CG-CE1 3.83Å; H406-Y413 AromaticContact ND1-CD1 3.62Å; H406-Y413 AromaticContact ND1-CD2 3.89Å; H406-Y413 AromaticContact ND1-CE1 3.36Å; H406-Y413 WeakPolarHBondContact ND1-CE1 3.44Å; H406-Y413 AromaticContact ND1-CE2 3.64Å; H406-Y413 AromaticContact ND1-CG 3.89Å; H406-Y413 AromaticContact ND1-CZ 3.38Å |
| 414 | I | 86.8 | Confident | 86.4 | Confident | 14 Ų | 14 | 68.1 Ų | 68.1 | 7% | 0.072 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 134 | -175.9 | -52.9 | 155.5 | 0 | 0 | 0 | 107.1 | T404 V405 C407 V412 A416 V421 H424 | T404-I414 CarbonylContact C-O 3.56Å; T404-I414 WeakPolarHBondContact CA-O 3.38Å; V405-I414 PolarHBondContact N-O 3.39Å; V405-I414 PolarHBondContact O-N 3.06Å; C407-I414 HydrophobicContact CB-CD1 3.85Å; V412-I414 HydrophobicContact CG1-CG1 4.18Å; I414-A416 PolarHBondContact O-N 3.37Å; I414-V421 HydrophobicContact CG2-CG2 4.15Å; I414-H424 HydrophobicContact CD1-CB 3.81Å; I414-H424 WeakPolarHBondContact CD1-CD2 3.23Å; I414-H424 HydrophobicContact CG1-CB 4.44Å |
| 415 | P | 86.7 | Confident | 86.7 | Confident | 52 Ų | 52 | 68.3 Ų | 68.3 | 34% | 0.338 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.1 | 139.2 | 170.3 | -25.3 | 35 | 0 | 0 | 0 | 110.8 | V402 L417 S420 | V402-P415 HydrophobicContact CG1-CB 3.95Å; P415-L417 HydrophobicContact CB-CD1 4.39Å; P415-L417 HydrophobicContact CB-CG 4.27Å; P415-L417 PolarHBondContact O-N 2.78Å; P415-S420 PolarHBondContact O-OG 3.3Å |
| 416 | A | 84.5 | Confident | 87.1 | Confident | 46 Ų | 46 | 72 Ų | 72 | 38% | 0.38 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -71.7 | 28.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E403 V405 I414 | E403-A416 HydrophobicContact CB-CB 3.89Å; E403-A416 WeakPolarHBondContact O-CB 3.41Å; E403-A416 PolarHBondContact O-N 2.94Å; V405-A416 HydrophobicContact CG2-CB 3.96Å; I414-A416 PolarHBondContact O-N 3.37Å |
| 417 | L | 84.4 | Confident | 87.4 | Confident | 92 Ų | 92 | 69.6 Ų | 69.6 | 48% | 0.482 | 38% | 0.382 | S | S | . | . | trans | -82.5 | 132.2 | 170.4 | -53.4 | 172.1 | 0 | 0 | 0 | 108.3 | P415 S419 S420 V421 | P415-L417 HydrophobicContact CB-CD1 4.39Å; P415-L417 HydrophobicContact CB-CG 4.27Å; P415-L417 PolarHBondContact O-N 2.78Å; L417-S419 PolarHBondContact O-N 3.45Å; L417-S419 VanDerWaalsContact O-N 3.13Å; L417-S420 WeakPolarHBondContact CB-OG 3.37Å; L417-S420 PolarHBondContact O-N 3.33Å; L417-S420 VanDerWaalsContact O-N 3.13Å; L417-S420 PolarHBondContact O-OG 3.41Å; L417-V421 PolarHBondContact O-N 2.89Å | ||
| 418 | H | 85.1 | Confident | 87.5 | Confident | 140 Ų | 140 | 72.5 Ų | 72.5 | 65% | 0.648 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -54.4 | -35.4 | -179.9 | -179.9 | -116.5 | 0 | 0 | 0 | 112.4 | Q422 | H418-Q422 PolarHBondContact CE1-NE2 3.26Å; H418-Q422 PolarHBondContact NE2-NE2 3.12Å; H418-Q422 VanDerWaalsContact O-CB 3.3Å; H418-Q422 WeakPolarHBondContact O-CB 3.3Å; H418-Q422 VanDerWaalsContact O-CG 3.31Å; H418-Q422 WeakPolarHBondContact O-CG 3.23Å; H418-Q422 PolarHBondContact O-N 3.04Å |
| 419 | S | 88 | Confident | 87.7 | Confident | 71 Ų | 71 | 74.5 Ų | 74.5 | 50% | 0.497 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.7 | -48.9 | 175.9 | 49.4 | 0 | 0 | 0 | 0 | 113.5 | L417 Q422 Q423 | L417-S419 PolarHBondContact O-N 3.45Å; L417-S419 VanDerWaalsContact O-N 3.13Å; S419-Q422 PolarHBondContact O-N 3.23Å; S419-Q423 WeakPolarHBondContact O-CB 3.29Å; S419-Q423 VanDerWaalsContact O-CG 3.28Å; S419-Q423 WeakPolarHBondContact O-CG 3.3Å; S419-Q423 PolarHBondContact O-N 2.91Å |
| 420 | S | 88.4 | Confident | 88 | Confident | 24 Ų | 24 | 74 Ų | 74 | 17% | 0.168 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -68.3 | -39.3 | 179.8 | 44.8 | 0 | 0 | 0 | 0 | 112.1 | P415 L417 Q423 H424 | P415-S420 PolarHBondContact O-OG 3.3Å; L417-S420 WeakPolarHBondContact CB-OG 3.37Å; L417-S420 PolarHBondContact O-N 3.33Å; L417-S420 VanDerWaalsContact O-N 3.13Å; L417-S420 PolarHBondContact O-OG 3.41Å; S420-Q423 PolarHBondContact O-N 2.84Å; S420-H424 WeakPolarHBondContact O-CB 3.44Å; S420-H424 PolarHBondContact O-N 3.39Å |
| 421 | V | 88.3 | Confident | 88.1 | Confident | 39 Ų | 39 | 76.6 Ų | 76.6 | 24% | 0.236 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.1 | -47 | 174.6 | 177.4 | 0 | 0 | 0 | 0 | 110.5 | I414 L417 Q423 H424 L425 | I414-V421 HydrophobicContact CG2-CG2 4.15Å; L417-V421 PolarHBondContact O-N 2.89Å; V421-Q423 PolarHBondContact O-N 3.47Å; V421-H424 PolarHBondContact O-N 3Å; V421-L425 HydrophobicContact CG1-CD1 4.07Å; V421-L425 HydrophobicContact CG1-CG 4.31Å; V421-L425 VanDerWaalsContact O-CG 3.31Å; V421-L425 WeakPolarHBondContact O-CG 3.31Å; V421-L425 PolarHBondContact O-N 3.49Å |
| 422 | Q | 88.8 | Confident | 88.4 | Confident | 76 Ų | 76 | 78.8 Ų | 78.8 | 36% | 0.355 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.2 | -38.6 | 176.9 | -79 | -156.7 | 2.1 | 0 | 0 | 113.4 | H418 S419 L425 K426 | H418-Q422 PolarHBondContact CE1-NE2 3.26Å; H418-Q422 PolarHBondContact NE2-NE2 3.12Å; H418-Q422 VanDerWaalsContact O-CB 3.3Å; H418-Q422 WeakPolarHBondContact O-CB 3.3Å; H418-Q422 VanDerWaalsContact O-CG 3.31Å; H418-Q422 WeakPolarHBondContact O-CG 3.23Å; H418-Q422 PolarHBondContact O-N 3.04Å; S419-Q422 PolarHBondContact O-N 3.23Å; Q422-L425 PolarHBondContact O-N 3.04Å; Q422-K426 WeakPolarHBondContact O-CB 3.4Å; Q422-K426 WeakPolarHBondContact O-CD 3.48Å; Q422-K426 VanDerWaalsContact O-CG 3.28Å; Q422-K426 WeakPolarHBondContact O-CG 3.48Å; Q422-K426 PolarHBondContact O-N 3.35Å; Q422-K426 VanDerWaalsContact O-N 3.12Å |
| 423 | Q | 90.4 | Very high | 88.5 | Confident | 145 Ų | 145 | 76 Ų | 76 | 68% | 0.678 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -63.6 | -43.7 | 175.1 | -77 | 174 | -8.5 | 0 | 0 | 111.2 | S419 S420 V421 K426 S427 | S419-Q423 WeakPolarHBondContact O-CB 3.29Å; S419-Q423 VanDerWaalsContact O-CG 3.28Å; S419-Q423 WeakPolarHBondContact O-CG 3.3Å; S419-Q423 PolarHBondContact O-N 2.91Å; S420-Q423 PolarHBondContact O-N 2.84Å; V421-Q423 PolarHBondContact O-N 3.47Å; Q423-K426 PolarHBondContact O-N 3.26Å; Q423-S427 PolarHBondContact O-N 2.76Å; Q423-S427 VanDerWaalsContact O-N 3.14Å |
| 424 | H | 90.4 | Very high | 88.6 | Confident | 30 Ų | 30 | 73.6 Ų | 73.6 | 14% | 0.139 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 175.2 | 179.1 | 78.6 | 0 | 0 | 0 | 112 | C407 C410 I414 S420 V421 K426 S427 H430 | C407-H424 PolarHBondContact SG-NE2 3.46Å; C407-H424 VanDerWaalsContact SG-NE2 3.39Å; C410-H424 VanDerWaalsContact SG-CE1 3.59Å; I414-H424 HydrophobicContact CD1-CB 3.81Å; I414-H424 WeakPolarHBondContact CD1-CD2 3.23Å; I414-H424 HydrophobicContact CG1-CB 4.44Å; S420-H424 WeakPolarHBondContact O-CB 3.44Å; S420-H424 PolarHBondContact O-N 3.39Å; V421-H424 PolarHBondContact O-N 3Å; H424-K426 PolarHBondContact O-N 3.1Å; H424-S427 VanDerWaalsContact O-CB 3.27Å; H424-S427 WeakPolarHBondContact O-CB 3.3Å; H424-S427 PolarHBondContact O-N 3.19Å; H424-S427 PolarHBondContact O-OG 2.79Å; H424-H430 AromaticContact CD2-CG 3.86Å; H424-H430 AromaticContact CD2-ND1 3.36Å; H424-H430 PolarHBondContact CD2-ND1 2.91Å; H424-H430 AromaticContact CE1-ND1 3.96Å; H424-H430 AromaticContact NE2-CE1 3.94Å; H424-H430 AromaticContact NE2-CG 3.65Å; H424-H430 AromaticContact NE2-ND1 2.94Å; H424-H430 PolarHBondContact NE2-ND1 3.04Å; H424-H430 WeakPolarHBondContact O-CB 3.27Å |
| 425 | L | 90.2 | Very high | 88.6 | Confident | 89 Ų | 89 | 78.7 Ų | 78.7 | 47% | 0.466 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.3 | -30 | 179.7 | -69.2 | 177.5 | 0 | 0 | 0 | 113.4 | V421 Q422 H430 | V421-L425 HydrophobicContact CG1-CD1 4.07Å; V421-L425 HydrophobicContact CG1-CG 4.31Å; V421-L425 VanDerWaalsContact O-CG 3.31Å; V421-L425 WeakPolarHBondContact O-CG 3.31Å; V421-L425 PolarHBondContact O-N 3.49Å; Q422-L425 PolarHBondContact O-N 3.04Å; L425-H430 WeakPolarHBondContact CD2-NE2 3.41Å |
| 426 | K | 91.5 | Very high | 88.7 | Confident | 148 Ų | 148 | 78.7 Ų | 78.7 | 64% | 0.643 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -84.3 | -9.8 | 175.5 | -69.4 | 168.9 | -177.1 | 168.5 | 0 | 113.4 | Q422 Q423 H424 | Q422-K426 WeakPolarHBondContact O-CB 3.4Å; Q422-K426 WeakPolarHBondContact O-CD 3.48Å; Q422-K426 VanDerWaalsContact O-CG 3.28Å; Q422-K426 WeakPolarHBondContact O-CG 3.48Å; Q422-K426 PolarHBondContact O-N 3.35Å; Q422-K426 VanDerWaalsContact O-N 3.12Å; Q423-K426 PolarHBondContact O-N 3.26Å; H424-K426 PolarHBondContact O-N 3.1Å |
| 427 | S | 91.4 | Very high | 88.9 | Confident | 27 Ų | 27 | 79.3 Ų | 79.3 | 19% | 0.189 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -68.7 | 142.4 | -179.9 | 73.3 | 0 | 0 | 0 | 0 | 111.3 | Q423 H424 D429 H430 I431 | Q423-S427 PolarHBondContact O-N 2.76Å; Q423-S427 VanDerWaalsContact O-N 3.14Å; H424-S427 VanDerWaalsContact O-CB 3.27Å; H424-S427 WeakPolarHBondContact O-CB 3.3Å; H424-S427 PolarHBondContact O-N 3.19Å; H424-S427 PolarHBondContact O-OG 2.79Å; S427-D429 PolarHBondContact O-N 2.82Å; S427-H430 PolarHBondContact O-N 2.86Å; S427-H430 VanDerWaalsContact OG-CB 3.32Å; S427-H430 WeakPolarHBondContact OG-CB 3.48Å; S427-H430 PolarHBondContact OG-N 3.18Å; S427-H430 VanDerWaalsContact OG-N 3.13Å; S427-I431 WeakPolarHBondContact O-CG1 3.42Å; S427-I431 PolarHBondContact O-N 2.89Å; S427-I431 VanDerWaalsContact O-N 3.1Å |
| 428 | P | 89.9 | Confident | 89 | Confident | 78 Ų | 78 | 80 Ų | 80 | 51% | 0.506 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63 | -28.7 | 177.3 | 27.4 | -34.9 | 0 | 0 | 0 | 111.7 | I431 K432 | P428-I431 PolarHBondContact O-N 2.84Å; P428-K432 WeakPolarHBondContact O-CB 3.37Å; P428-K432 WeakPolarHBondContact O-CG 3.47Å; P428-K432 PolarHBondContact O-N 3.18Å |
| 429 | D | 88.4 | Confident | 89.2 | Confident | 112 Ų | 112 | 78.7 Ų | 78.7 | 60% | 0.599 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -68.4 | -41.8 | 178 | -54.4 | -40.9 | 0 | 0 | 0 | 111.2 | S427 G433 | S427-D429 PolarHBondContact O-N 2.82Å; D429-G433 WeakPolarHBondContact O-CA 3.38Å; D429-G433 PolarHBondContact O-N 3.33Å |
| 430 | H | 91.3 | Very high | 89.2 | Confident | 14 Ų | 14 | 79.2 Ų | 79.2 | 7% | 0.065 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.2 | -39.5 | 171.2 | -176.6 | 83.8 | 0 | 0 | 0 | 112.2 | C407 H424 L425 S427 G433 K434 | C407-H430 VanDerWaalsContact SG-CE1 3.58Å; H424-H430 AromaticContact CD2-CG 3.86Å; H424-H430 AromaticContact CD2-ND1 3.36Å; H424-H430 PolarHBondContact CD2-ND1 2.91Å; H424-H430 AromaticContact CE1-ND1 3.96Å; H424-H430 AromaticContact NE2-CE1 3.94Å; H424-H430 AromaticContact NE2-CG 3.65Å; H424-H430 AromaticContact NE2-ND1 2.94Å; H424-H430 PolarHBondContact NE2-ND1 3.04Å; H424-H430 WeakPolarHBondContact O-CB 3.27Å; L425-H430 WeakPolarHBondContact CD2-NE2 3.41Å; S427-H430 PolarHBondContact O-N 2.86Å; S427-H430 VanDerWaalsContact OG-CB 3.32Å; S427-H430 WeakPolarHBondContact OG-CB 3.48Å; S427-H430 PolarHBondContact OG-N 3.18Å; S427-H430 VanDerWaalsContact OG-N 3.13Å; H430-G433 PolarHBondContact O-N 2.79Å; H430-K434 WeakPolarHBondContact O-CB 3.4Å; H430-K434 PolarHBondContact O-N 3.45Å |
| 431 | I | 88.8 | Confident | 89.2 | Confident | 86 Ų | 86 | 79 Ų | 79 | 44% | 0.441 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 179.8 | -65.9 | 165.7 | 0 | 0 | 0 | 110.7 | S427 P428 Q435 | S427-I431 WeakPolarHBondContact O-CG1 3.42Å; S427-I431 PolarHBondContact O-N 2.89Å; S427-I431 VanDerWaalsContact O-N 3.1Å; P428-I431 PolarHBondContact O-N 2.84Å; I431-Q435 PolarHBondContact O-N 3.2Å |
| 432 | K | 89.4 | Confident | 89.2 | Confident | 138 Ų | 138 | 79.9 Ų | 79.9 | 60% | 0.6 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -66.5 | -48 | 174.9 | -70.1 | 172.8 | -178.8 | 178.7 | 0 | 111.8 | P428 K434 Q435 A436 | P428-K432 WeakPolarHBondContact O-CB 3.37Å; P428-K432 WeakPolarHBondContact O-CG 3.47Å; P428-K432 PolarHBondContact O-N 3.18Å; K432-K434 VanDerWaalsContact C-N 3.31Å; K432-K434 PolarHBondContact O-N 3.22Å; K432-Q435 PolarHBondContact O-N 3.22Å; K432-Q435 VanDerWaalsContact O-N 3.1Å; K432-A436 PolarHBondContact O-N 2.89Å |
| 433 | G | 88.4 | Confident | 89.1 | Confident | 15 Ų | 15 | 83.5 Ų | 83.5 | 16% | 0.155 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -58.3 | -40.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D429 H430 Q435 A436 Y437 | D429-G433 WeakPolarHBondContact O-CA 3.38Å; D429-G433 PolarHBondContact O-N 3.33Å; H430-G433 PolarHBondContact O-N 2.79Å; G433-Q435 PolarHBondContact O-N 2.92Å; G433-A436 PolarHBondContact O-N 3.44Å; G433-Y437 WeakPolarHBondContact O-CB 3.4Å; G433-Y437 PolarHBondContact O-N 3.17Å |
| 434 | K | 88.8 | Confident | 88.9 | Confident | 109 Ų | 109 | 78.6 Ų | 78.6 | 47% | 0.474 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.5 | -36 | 174.9 | -179 | 175.7 | -177.8 | 173.8 | 0 | 113.1 | H430 K432 K438 | H430-K434 WeakPolarHBondContact O-CB 3.4Å; H430-K434 PolarHBondContact O-N 3.45Å; K432-K434 VanDerWaalsContact C-N 3.31Å; K432-K434 PolarHBondContact O-N 3.22Å; K434-K438 WeakPolarHBondContact O-CB 3.22Å; K434-K438 WeakPolarHBondContact O-CG 3.34Å; K434-K438 PolarHBondContact O-N 2.95Å |
| 435 | Q | 87.8 | Confident | 88.8 | Confident | 122 Ų | 122 | 77.2 Ų | 77.2 | 57% | 0.57 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -71.8 | -51.9 | 173.8 | -71.5 | 176.8 | -13.1 | 0 | 0 | 110.9 | I431 K432 G433 Y437 K438 E439 | I431-Q435 PolarHBondContact O-N 3.2Å; K432-Q435 PolarHBondContact O-N 3.22Å; K432-Q435 VanDerWaalsContact O-N 3.1Å; G433-Q435 PolarHBondContact O-N 2.92Å; Q435-Y437 VanDerWaalsContact C-N 3.31Å; Q435-Y437 PolarHBondContact O-N 3.17Å; Q435-K438 WeakPolarHBondContact O-CB 3.46Å; Q435-K438 PolarHBondContact O-N 3.27Å; Q435-K438 VanDerWaalsContact O-N 3.13Å; Q435-E439 PolarHBondContact O-N 3.1Å |
| 436 | A | 89 | Confident | 88.7 | Confident | 51 Ų | 51 | 74.1 Ų | 74.1 | 42% | 0.421 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.6 | -41.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K432 G433 E439 Q440 | K432-A436 PolarHBondContact O-N 2.89Å; G433-A436 PolarHBondContact O-N 3.44Å; A436-E439 CarbonylContact O-C 3.6Å; A436-E439 PolarHBondContact O-N 3.28Å; A436-Q440 WeakPolarHBondContact O-CB 3.42Å; A436-Q440 PolarHBondContact O-N 3.46Å |
| 437 | Y | 87.9 | Confident | 88.5 | Confident | 60 Ų | 60 | 72.7 Ų | 72.7 | 24% | 0.235 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.1 | -38.7 | 177 | -173.3 | -105.5 | 0 | 0 | 0 | 112.3 | A409 G433 Q435 E439 Q440 I441 | A409-Y437 HydrophobicContact CB-CD1 4.03Å; A409-Y437 HydrophobicContact CB-CG 3.88Å; G433-Y437 WeakPolarHBondContact O-CB 3.4Å; G433-Y437 PolarHBondContact O-N 3.17Å; Q435-Y437 VanDerWaalsContact C-N 3.31Å; Q435-Y437 PolarHBondContact O-N 3.17Å; Y437-E439 VanDerWaalsContact C-N 3.33Å; Y437-E439 PolarHBondContact O-N 3.01Å; Y437-Q440 PolarHBondContact O-N 3.46Å; Y437-I441 HydrophobicContact CD1-CD1 3.77Å; Y437-I441 HydrophobicContact CE1-CD1 3.34Å; Y437-I441 HydrophobicContact CE1-CG1 4.29Å; Y437-I441 WeakPolarHBondContact O-CB 3.28Å; Y437-I441 WeakPolarHBondContact O-CG1 3.38Å; Y437-I441 PolarHBondContact O-N 3.04Å |
| 438 | K | 86.9 | Confident | 88.3 | Confident | 106 Ų | 106 | 73.3 Ų | 73.3 | 46% | 0.461 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 171.1 | -82.1 | -174.9 | 171.3 | -154.9 | 0 | 112.1 | K434 Q435 K442 | K434-K438 WeakPolarHBondContact O-CB 3.22Å; K434-K438 WeakPolarHBondContact O-CG 3.34Å; K434-K438 PolarHBondContact O-N 2.95Å; Q435-K438 WeakPolarHBondContact O-CB 3.46Å; Q435-K438 PolarHBondContact O-N 3.27Å; Q435-K438 VanDerWaalsContact O-N 3.13Å; K438-K442 WeakPolarHBondContact O-CB 3.46Å; K438-K442 VanDerWaalsContact O-CG 3.31Å; K438-K442 WeakPolarHBondContact O-CG 3.05Å; K438-K442 PolarHBondContact O-N 3.23Å |
| 439 | E | 89 | Confident | 88.1 | Confident | 112 Ų | 112 | 69.6 Ų | 69.6 | 52% | 0.523 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -74.5 | -31.7 | 177.1 | -70.8 | 178.7 | -179.8 | 0 | 0 | 113.2 | Q435 A436 Y437 R443 | Q435-E439 PolarHBondContact O-N 3.1Å; A436-E439 CarbonylContact O-C 3.6Å; A436-E439 PolarHBondContact O-N 3.28Å; Y437-E439 VanDerWaalsContact C-N 3.33Å; Y437-E439 PolarHBondContact O-N 3.01Å; E439-R443 WeakPolarHBondContact O-CG 3.26Å; E439-R443 PolarHBondContact O-N 3.29Å; E439-R443 VanDerWaalsContact O-N 3.08Å; E439-R443 PolarHBondContact O-NE 3.18Å; E439-R443 VanDerWaalsContact O-NE 3.08Å |
| 440 | Q | 88.3 | Confident | 88 | Confident | 82 Ų | 82 | 66.5 Ų | 66.5 | 38% | 0.383 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.3 | -52.5 | 170.8 | 175.6 | 172.9 | 1.5 | 0 | 0 | 109.8 | A436 Y437 K442 R443 E444 | A436-Q440 WeakPolarHBondContact O-CB 3.42Å; A436-Q440 PolarHBondContact O-N 3.46Å; Y437-Q440 PolarHBondContact O-N 3.46Å; Q440-K442 VanDerWaalsContact C-N 3.26Å; Q440-K442 PolarHBondContact O-N 2.78Å; Q440-R443 PolarHBondContact O-N 3.09Å; Q440-E444 VanDerWaalsContact CG-CD 3.4Å; Q440-E444 HydrophobicContact CG-CG 4.13Å; Q440-E444 WeakPolarHBondContact CG-OE1 3.23Å; Q440-E444 PolarHBondContact NE2-OE1 2.9Å; Q440-E444 WeakPolarHBondContact O-CB 3.4Å; Q440-E444 VanDerWaalsContact O-CG 3.3Å; Q440-E444 WeakPolarHBondContact O-CG 3.17Å; Q440-E444 PolarHBondContact O-N 3.08Å |
| 441 | I | 87.7 | Confident | 87.7 | Confident | 19 Ų | 19 | 69.1 Ų | 69.1 | 10% | 0.097 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -53.3 | -44.9 | 174.2 | -75.1 | 172.3 | 0 | 0 | 0 | 110.8 | F316 T339 Y437 R443 E444 S445 | F316-I441 WeakPolarHBondContact O-CG2 3.44Å; T339-I441 HydrophobicContact CG2-CG2 4.19Å; Y437-I441 HydrophobicContact CD1-CD1 3.77Å; Y437-I441 HydrophobicContact CE1-CD1 3.34Å; Y437-I441 HydrophobicContact CE1-CG1 4.29Å; Y437-I441 WeakPolarHBondContact O-CB 3.28Å; Y437-I441 WeakPolarHBondContact O-CG1 3.38Å; Y437-I441 PolarHBondContact O-N 3.04Å; I441-R443 VanDerWaalsContact C-N 3.34Å; I441-R443 PolarHBondContact O-N 3.22Å; I441-E444 PolarHBondContact O-N 3.11Å; I441-S445 WeakPolarHBondContact O-CB 3.42Å; I441-S445 PolarHBondContact O-N 2.86Å; I441-S445 PolarHBondContact O-OG 3.5Å |
| 442 | K | 87.9 | Confident | 87.4 | Confident | 58 Ų | 58 | 66.9 Ų | 66.9 | 25% | 0.252 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.7 | -33.5 | 177.6 | -80 | 175.2 | -178.3 | -178.1 | 0 | 114.3 | H342 K438 Q440 S445 V446 | H342-K442 HydrophobicContact CB-CD 4.49Å; H342-K442 HydrophobicContact CB-CG 4.39Å; K438-K442 WeakPolarHBondContact O-CB 3.46Å; K438-K442 VanDerWaalsContact O-CG 3.31Å; K438-K442 WeakPolarHBondContact O-CG 3.05Å; K438-K442 PolarHBondContact O-N 3.23Å; Q440-K442 VanDerWaalsContact C-N 3.26Å; Q440-K442 PolarHBondContact O-N 2.78Å; K442-S445 PolarHBondContact O-OG 3.37Å; K442-V446 WeakPolarHBondContact O-CG2 3.24Å |
| 443 | R | 87.6 | Confident | 86.9 | Confident | 152 Ų | 152 | 61.7 Ų | 61.7 | 57% | 0.574 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -76.4 | -46.5 | 176 | -76.7 | 176.1 | -80.8 | 160.4 | -12.4 | 111.4 | E439 Q440 I441 S445 V446 L447 | E439-R443 WeakPolarHBondContact O-CG 3.26Å; E439-R443 PolarHBondContact O-N 3.29Å; E439-R443 VanDerWaalsContact O-N 3.08Å; E439-R443 PolarHBondContact O-NE 3.18Å; E439-R443 VanDerWaalsContact O-NE 3.08Å; Q440-R443 PolarHBondContact O-N 3.09Å; I441-R443 VanDerWaalsContact C-N 3.34Å; I441-R443 PolarHBondContact O-N 3.22Å; R443-S445 VanDerWaalsContact C-N 3.33Å; R443-S445 PolarHBondContact O-N 2.84Å; R443-V446 PolarHBondContact O-N 3.31Å; R443-L447 PolarHBondContact O-N 2.93Å |
| 444 | E | 86.9 | Confident | 86.6 | Confident | 42 Ų | 42 | 67.2 Ų | 67.2 | 20% | 0.196 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.2 | -34 | 178.4 | -66 | 171.8 | 154.4 | 0 | 0 | 112.2 | K318 Q440 I441 L447 T448 | K318-E444 WeakPolarHBondContact CD-OE2 3.4Å; K318-E444 WeakPolarHBondContact CE-OE2 3.4Å; K318-E444 IonicContact NZ-OE1 2.73Å; K318-E444 PolarHBondContact NZ-OE1 3.23Å; K318-E444 IonicContact NZ-OE2 3.16Å; K318-E444 PolarHBondContact NZ-OE2 2.8Å; Q440-E444 VanDerWaalsContact CG-CD 3.4Å; Q440-E444 HydrophobicContact CG-CG 4.13Å; Q440-E444 WeakPolarHBondContact CG-OE1 3.23Å; Q440-E444 PolarHBondContact NE2-OE1 2.9Å; Q440-E444 WeakPolarHBondContact O-CB 3.4Å; Q440-E444 VanDerWaalsContact O-CG 3.3Å; Q440-E444 WeakPolarHBondContact O-CG 3.17Å; Q440-E444 PolarHBondContact O-N 3.08Å; I441-E444 PolarHBondContact O-N 3.11Å; E444-L447 PolarHBondContact O-N 3.42Å; E444-T448 VanDerWaalsContact O-CB 3.26Å; E444-T448 WeakPolarHBondContact O-CB 3.21Å; E444-T448 PolarHBondContact O-N 3.12Å; E444-T448 PolarHBondContact O-OG1 2.99Å |
| 445 | S | 87.2 | Confident | 86.4 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.007 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70 | -34.2 | 177.9 | 76 | 0 | 0 | 0 | 0 | 112.2 | F316 I441 K442 R443 A449 | F316-S445 VanDerWaalsContact O-CB 3.22Å; F316-S445 WeakPolarHBondContact O-CB 3.42Å; I441-S445 WeakPolarHBondContact O-CB 3.42Å; I441-S445 PolarHBondContact O-N 2.86Å; I441-S445 PolarHBondContact O-OG 3.5Å; K442-S445 PolarHBondContact O-OG 3.37Å; R443-S445 VanDerWaalsContact C-N 3.33Å; R443-S445 PolarHBondContact O-N 2.84Å; S445-A449 VanDerWaalsContact O-CB 3.26Å; S445-A449 WeakPolarHBondContact O-CB 3.38Å; S445-A449 PolarHBondContact O-N 3.37Å |
| 446 | V | 88.8 | Confident | 85.9 | Confident | 24 Ų | 24 | 62.1 Ų | 62.1 | 15% | 0.145 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.8 | -49.1 | 169.9 | 169.4 | 0 | 0 | 0 | 0 | 110.7 | I343 Q346 T347 K442 R443 T448 A449 T450 | I343-V446 HydrophobicContact CG1-CG2 4Å; Q346-V446 HydrophobicContact CB-CG1 4.4Å; Q346-V446 HydrophobicContact CB-CG2 3.89Å; Q346-V446 HydrophobicContact CG-CG2 3.93Å; T347-V446 HydrophobicContact CG2-CG1 3.83Å; K442-V446 WeakPolarHBondContact O-CG2 3.24Å; R443-V446 PolarHBondContact O-N 3.31Å; V446-T448 PolarHBondContact O-N 3.42Å; V446-A449 PolarHBondContact O-N 2.77Å; V446-T450 WeakPolarHBondContact O-CG2 3.19Å; V446-T450 PolarHBondContact O-N 3.11Å; V446-T450 PolarHBondContact O-OG1 2.72Å |
| 447 | L | 87.1 | Confident | 85.4 | Confident | 118 Ų | 118 | 62.7 Ų | 62.7 | 62% | 0.618 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -59.5 | -47.3 | 177.3 | -67.7 | 172.9 | 0 | 0 | 0 | 111.2 | R443 E444 A449 T450 S451 | R443-L447 PolarHBondContact O-N 2.93Å; E444-L447 PolarHBondContact O-N 3.42Å; L447-A449 VanDerWaalsContact C-N 3.34Å; L447-A449 PolarHBondContact O-N 3.24Å; L447-T450 WeakPolarHBondContact CA-OG1 3.45Å; L447-T450 PolarHBondContact O-N 2.73Å; L447-T450 VanDerWaalsContact O-N 3.12Å; L447-T450 PolarHBondContact O-OG1 2.8Å; L447-S451 PolarHBondContact O-N 2.83Å; L447-S451 PolarHBondContact O-OG 3.09Å |
| 448 | T | 87.1 | Confident | 84.9 | Confident | 40 Ų | 40 | 60.5 Ų | 60.5 | 25% | 0.245 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.3 | -39.8 | 176.3 | -57 | 0 | 0 | 0 | 0 | 112 | F316 E444 V446 S451 I452 | F316-T448 HydrophobicContact CD1-CG2 4.26Å; F316-T448 HydrophobicContact CE1-CG2 4.08Å; E444-T448 VanDerWaalsContact O-CB 3.26Å; E444-T448 WeakPolarHBondContact O-CB 3.21Å; E444-T448 PolarHBondContact O-N 3.12Å; E444-T448 PolarHBondContact O-OG1 2.99Å; V446-T448 PolarHBondContact O-N 3.42Å; T448-S451 PolarHBondContact O-OG 3.11Å; T448-I452 HydrophobicContact CG2-CD1 3.77Å; T448-I452 HydrophobicContact CG2-CG1 4.47Å; T448-I452 VanDerWaalsContact O-CB 3.3Å; T448-I452 WeakPolarHBondContact O-CB 3.23Å; T448-I452 WeakPolarHBondContact O-CD1 3.48Å; T448-I452 WeakPolarHBondContact O-CG1 3.37Å; T448-I452 PolarHBondContact O-N 2.68Å |
| 449 | A | 86 | Confident | 84.6 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.1 | -39.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F316 I343 F349 L357 S445 V446 L447 L453 | F316-A449 HydrophobicContact CE1-CB 3.8Å; I343-A449 HydrophobicContact CD1-CB 4.24Å; I343-A449 HydrophobicContact CG2-CB 3.74Å; F349-A449 HydrophobicContact CE2-CB 4.15Å; L357-A449 HydrophobicContact CD1-CB 4.23Å; S445-A449 VanDerWaalsContact O-CB 3.26Å; S445-A449 WeakPolarHBondContact O-CB 3.38Å; S445-A449 PolarHBondContact O-N 3.37Å; V446-A449 PolarHBondContact O-N 2.77Å; L447-A449 VanDerWaalsContact C-N 3.34Å; L447-A449 PolarHBondContact O-N 3.24Å; A449-L453 WeakPolarHBondContact O-CB 3.18Å; A449-L453 WeakPolarHBondContact O-CD1 3.46Å; A449-L453 WeakPolarHBondContact O-CG 3.26Å; A449-L453 PolarHBondContact O-N 2.65Å |
| 450 | T | 85.5 | Confident | 84 | Confident | 47 Ų | 47 | 57.2 Ų | 57.2 | 29% | 0.288 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.8 | -40.5 | 176.1 | 56.9 | 0 | 0 | 0 | 0 | 112.6 | T347 F349 V446 L447 L453 N454 | T347-T450 HydrophobicContact CG2-CG2 4.16Å; F349-T450 HydrophobicContact CZ-CG2 4.11Å; V446-T450 WeakPolarHBondContact O-CG2 3.19Å; V446-T450 PolarHBondContact O-N 3.11Å; V446-T450 PolarHBondContact O-OG1 2.72Å; L447-T450 WeakPolarHBondContact CA-OG1 3.45Å; L447-T450 PolarHBondContact O-N 2.73Å; L447-T450 VanDerWaalsContact O-N 3.12Å; L447-T450 PolarHBondContact O-OG1 2.8Å; T450-L453 PolarHBondContact O-N 3.42Å; T450-N454 VanDerWaalsContact O-CB 3.3Å; T450-N454 WeakPolarHBondContact O-CB 3.43Å; T450-N454 PolarHBondContact O-N 3.24Å; T450-N454 PolarHBondContact O-ND2 3.44Å |
| 451 | S | 84.7 | Confident | 83.4 | Confident | 69 Ų | 69 | 56.8 Ų | 56.8 | 48% | 0.483 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.5 | -44.5 | 176.6 | 60.4 | 0 | 0 | 0 | 0 | 111.7 | L447 T448 L453 N454 N455 | L447-S451 PolarHBondContact O-N 2.83Å; L447-S451 PolarHBondContact O-OG 3.09Å; T448-S451 PolarHBondContact O-OG 3.11Å; S451-L453 VanDerWaalsContact C-N 3.32Å; S451-L453 PolarHBondContact O-N 3.13Å; S451-N454 PolarHBondContact O-N 2.76Å; S451-N454 VanDerWaalsContact O-N 3.13Å; S451-N455 PolarHBondContact O-N 3.5Å |
| 452 | I | 83.3 | Confident | 82.9 | Confident | 39 Ų | 39 | 58 Ų | 58 | 20% | 0.2 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.8 | -43.1 | 174.9 | -73.7 | 171.1 | 0 | 0 | 0 | 111.5 | F316 L357 T448 N455 V458 | F316-I452 HydrophobicContact CE1-CD1 4.08Å; F316-I452 HydrophobicContact CZ-CD1 3.82Å; L357-I452 HydrophobicContact CD2-CG2 3.9Å; T448-I452 HydrophobicContact CG2-CD1 3.77Å; T448-I452 HydrophobicContact CG2-CG1 4.47Å; T448-I452 VanDerWaalsContact O-CB 3.3Å; T448-I452 WeakPolarHBondContact O-CB 3.23Å; T448-I452 WeakPolarHBondContact O-CD1 3.48Å; T448-I452 WeakPolarHBondContact O-CG1 3.37Å; T448-I452 PolarHBondContact O-N 2.68Å; I452-N455 PolarHBondContact O-N 2.8Å; I452-V458 HydrophobicContact CG2-CG1 3.77Å; I452-V458 HydrophobicContact CG2-CG2 4.43Å; I452-V458 VanDerWaalsContact O-CB 3.25Å; I452-V458 WeakPolarHBondContact O-CB 3.33Å; I452-V458 WeakPolarHBondContact O-CG1 3.21Å |
| 453 | L | 79.3 | Confident | 82.4 | Confident | 30 Ų | 30 | 59.5 Ų | 59.5 | 16% | 0.157 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -79.3 | -19.2 | 179.2 | -68.6 | 166.4 | 0 | 0 | 0 | 114 | F349 V353 L357 A449 T450 S451 | F349-L453 HydrophobicContact CD1-CD1 4.18Å; F349-L453 HydrophobicContact CD2-CD1 3.69Å; F349-L453 HydrophobicContact CE1-CD1 3.79Å; F349-L453 HydrophobicContact CE2-CD1 3.28Å; F349-L453 HydrophobicContact CG-CD1 4.16Å; F349-L453 HydrophobicContact CZ-CD1 3.34Å; V353-L453 HydrophobicContact CG1-CD1 3.64Å; V353-L453 HydrophobicContact CG1-CD2 3.85Å; V353-L453 HydrophobicContact CG1-CG 4.41Å; L357-L453 HydrophobicContact CD1-CD1 4.4Å; L357-L453 HydrophobicContact CD2-CD2 4.41Å; A449-L453 WeakPolarHBondContact O-CB 3.18Å; A449-L453 WeakPolarHBondContact O-CD1 3.46Å; A449-L453 WeakPolarHBondContact O-CG 3.26Å; A449-L453 PolarHBondContact O-N 2.65Å; T450-L453 PolarHBondContact O-N 3.42Å; S451-L453 VanDerWaalsContact C-N 3.32Å; S451-L453 PolarHBondContact O-N 3.13Å |
| 454 | N | 82.9 | Confident | 81.8 | Confident | 131 Ų | 131 | 58 Ų | 58 | 70% | 0.701 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -78.5 | -22.1 | 171.3 | -72.9 | -26.4 | 0 | 0 | 0 | 112.3 | T450 S451 | T450-N454 VanDerWaalsContact O-CB 3.3Å; T450-N454 WeakPolarHBondContact O-CB 3.43Å; T450-N454 PolarHBondContact O-N 3.24Å; T450-N454 PolarHBondContact O-ND2 3.44Å; S451-N454 PolarHBondContact O-N 2.76Å; S451-N454 VanDerWaalsContact O-N 3.13Å |
| 455 | N | 84.3 | Confident | 81.1 | Confident | 25 Ų | 25 | 57.6 Ų | 57.6 | 13% | 0.134 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -63.9 | 125 | 174.5 | 179.6 | -37.3 | 0 | 0 | 0 | 110.1 | S451 I452 I457 V458 K459 | S451-N455 PolarHBondContact O-N 3.5Å; I452-N455 PolarHBondContact O-N 2.8Å; N455-I457 PolarHBondContact O-N 3.21Å; N455-I457 PolarHBondContact OD1-N 3.41Å; N455-V458 HydrophobicContact CB-CB 4.35Å; N455-V458 HydrophobicContact CB-CG2 4.14Å; N455-V458 PolarHBondContact O-N 2.99Å; N455-K459 WeakPolarHBondContact O-CB 3.31Å; N455-K459 PolarHBondContact O-N 3.17Å |
| 456 | P | 77.1 | Confident | 80.6 | Confident | 98 Ų | 98 | 61.6 Ų | 61.6 | 64% | 0.636 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.6 | -25.6 | -174 | 24.8 | -34.1 | 0 | 0 | 0 | 114.2 | A460 | P456-A460 WeakPolarHBondContact O-CB 3.26Å; P456-A460 PolarHBondContact O-N 2.99Å |
| 457 | I | 78.2 | Confident | 80 | Confident | 63 Ų | 63 | 67 Ų | 67 | 32% | 0.323 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -88.3 | -38.5 | -174 | -47.2 | 171.9 | 0 | 0 | 0 | 110.2 | N455 K459 A460 R461 E500 | N455-I457 PolarHBondContact O-N 3.21Å; N455-I457 PolarHBondContact OD1-N 3.41Å; I457-K459 VanDerWaalsContact C-N 3.29Å; I457-K459 PolarHBondContact O-N 3.1Å; I457-A460 CarbonylContact O-C 3.59Å; I457-A460 WeakPolarHBondContact O-CB 3.29Å; I457-A460 PolarHBondContact O-N 2.98Å; I457-A460 VanDerWaalsContact O-N 3.12Å; I457-R461 PolarHBondContact O-N 3.22Å; I457-E500 HydrophobicContact CB-CG 4.46Å; I457-E500 WeakPolarHBondContact CB-OE2 3.36Å; I457-E500 HydrophobicContact CD1-CB 4.35Å; I457-E500 HydrophobicContact CD1-CG 3.6Å; I457-E500 HydrophobicContact CG2-CG 4.3Å; I457-E500 VanDerWaalsContact CG2-OE1 3.26Å; I457-E500 WeakPolarHBondContact CG2-OE1 3.49Å |
| 458 | V | 78.2 | Confident | 78.7 | Confident | 15 Ų | 15 | 64.8 Ų | 64.8 | 9% | 0.091 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 166.5 | 179.8 | 0 | 0 | 0 | 0 | 110.5 | F356 I452 N455 A460 R461 Y462 | F356-V458 HydrophobicContact CE1-CG1 3.76Å; F356-V458 HydrophobicContact CZ-CG1 4.12Å; I452-V458 HydrophobicContact CG2-CG1 3.77Å; I452-V458 HydrophobicContact CG2-CG2 4.43Å; I452-V458 VanDerWaalsContact O-CB 3.25Å; I452-V458 WeakPolarHBondContact O-CB 3.33Å; I452-V458 WeakPolarHBondContact O-CG1 3.21Å; N455-V458 HydrophobicContact CB-CB 4.35Å; N455-V458 HydrophobicContact CB-CG2 4.14Å; N455-V458 PolarHBondContact O-N 2.99Å; V458-A460 VanDerWaalsContact C-N 3.33Å; V458-A460 PolarHBondContact O-N 3.05Å; V458-R461 WeakPolarHBondContact O-CB 3.23Å; V458-R461 PolarHBondContact O-N 2.68Å; V458-R461 VanDerWaalsContact O-N 3.13Å; V458-Y462 PolarHBondContact O-N 2.98Å |
| 459 | K | 79.8 | Confident | 77.4 | Confident | 111 Ų | 111 | 68.4 Ų | 68.4 | 48% | 0.483 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60 | -41.5 | 171.7 | -176.9 | 177.5 | 175.9 | -179.4 | 0 | 112.1 | N455 I457 R461 Y462 E463 | N455-K459 WeakPolarHBondContact O-CB 3.31Å; N455-K459 PolarHBondContact O-N 3.17Å; I457-K459 VanDerWaalsContact C-N 3.29Å; I457-K459 PolarHBondContact O-N 3.1Å; K459-R461 VanDerWaalsContact C-N 3.31Å; K459-R461 PolarHBondContact O-N 3.19Å; K459-Y462 PolarHBondContact O-N 3.45Å; K459-E463 WeakPolarHBondContact CE-OE1 3.46Å; K459-E463 WeakPolarHBondContact O-CG 3.26Å; K459-E463 PolarHBondContact O-N 2.99Å |
| 460 | A | 77.3 | Confident | 75.8 | Confident | 37 Ų | 37 | 72.5 Ų | 72.5 | 31% | 0.306 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.4 | -30.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P456 I457 V458 R464 | P456-A460 WeakPolarHBondContact O-CB 3.26Å; P456-A460 PolarHBondContact O-N 2.99Å; I457-A460 CarbonylContact O-C 3.59Å; I457-A460 WeakPolarHBondContact O-CB 3.29Å; I457-A460 PolarHBondContact O-N 2.98Å; I457-A460 VanDerWaalsContact O-N 3.12Å; V458-A460 VanDerWaalsContact C-N 3.33Å; V458-A460 PolarHBondContact O-N 3.05Å; A460-R464 WeakPolarHBondContact O-CG 3.38Å; A460-R464 PolarHBondContact O-N 2.84Å |
| 461 | R | 74.9 | Confident | 74.5 | Confident | 73 Ų | 73 | 70.8 Ų | 70.8 | 28% | 0.275 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -70.4 | -43.9 | 170 | -72.6 | -170.7 | -174 | 112.9 | 13.2 | 111.9 | F356 I457 V458 K459 E463 R464 F465 P471 E500 | F356-R461 HydrophobicContact CE2-CB 4.05Å; F356-R461 HydrophobicContact CZ-CB 3.81Å; I457-R461 PolarHBondContact O-N 3.22Å; V458-R461 WeakPolarHBondContact O-CB 3.23Å; V458-R461 PolarHBondContact O-N 2.68Å; V458-R461 VanDerWaalsContact O-N 3.13Å; K459-R461 VanDerWaalsContact C-N 3.31Å; K459-R461 PolarHBondContact O-N 3.19Å; R461-E463 VanDerWaalsContact C-N 3.3Å; R461-E463 PolarHBondContact O-N 3.14Å; R461-R464 WeakPolarHBondContact O-CB 3.32Å; R461-R464 PolarHBondContact O-N 2.94Å; R461-F465 PolarHBondContact O-N 3.26Å; R461-P471 HydrophobicContact CB-CB 3.9Å; R461-P471 HydrophobicContact CG-CB 4.35Å; R461-P471 WeakPolarHBondContact O-CG 3.41Å; R461-E500 IonicContact CZ-OE1 2.72Å; R461-E500 IonicContact NH1-OE1 2.68Å; R461-E500 PolarHBondContact NH1-OE1 3.22Å; R461-E500 IonicContact NH2-OE1 3.84Å; R461-E500 PolarHBondContact NH2-OE1 3.48Å |
| 462 | Y | 76.2 | Confident | 72.8 | Confident | 44 Ų | 44 | 70.3 Ų | 70.3 | 17% | 0.173 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.9 | -40.5 | 174 | 176.8 | -107.3 | 0 | 0 | 0 | 111.7 | V352 V353 F356 V458 K459 R464 F465 V466 | V352-Y462 HydrophobicContact CG1-CE2 4.28Å; V353-Y462 HydrophobicContact CB-CE2 4.21Å; V353-Y462 HydrophobicContact CG2-CE1 4.33Å; V353-Y462 HydrophobicContact CG2-CE2 3.64Å; V353-Y462 VanDerWaalsContact CG2-OH 3.29Å; V353-Y462 WeakPolarHBondContact CG2-OH 3.07Å; F356-Y462 HydrophobicContact CB-CD2 3.99Å; F356-Y462 HydrophobicContact CB-CE2 4.42Å; F356-Y462 AromaticContact CD1-CD2 3.84Å; F356-Y462 HydrophobicContact CD1-CD2 3.84Å; F356-Y462 HydrophobicContact CD1-CG 4.41Å; F356-Y462 HydrophobicContact CD2-CD2 4.44Å; F356-Y462 HydrophobicContact CE1-CD2 4.46Å; F356-Y462 AromaticContact CG-CD2 3.82Å; F356-Y462 HydrophobicContact CG-CD2 3.82Å; V458-Y462 PolarHBondContact O-N 2.98Å; K459-Y462 PolarHBondContact O-N 3.45Å; Y462-R464 PolarHBondContact O-N 3.12Å; Y462-F465 WeakPolarHBondContact O-CB 3.2Å; Y462-F465 PolarHBondContact O-N 3.49Å; Y462-F465 VanDerWaalsContact O-N 3.17Å; Y462-V466 HydrophobicContact CD1-CG2 4.24Å; Y462-V466 HydrophobicContact CD2-CG2 4.15Å; Y462-V466 HydrophobicContact CE1-CG2 3.73Å; Y462-V466 HydrophobicContact CE2-CG2 3.61Å; Y462-V466 HydrophobicContact CG-CG2 4.43Å; Y462-V466 WeakPolarHBondContact O-CG2 3.13Å; Y462-V466 PolarHBondContact O-N 3.04Å |
| 463 | E | 78.8 | Confident | 71.1 | Confident | 91 Ų | 91 | 75.2 Ų | 75.2 | 43% | 0.425 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.3 | -15.5 | 174.2 | -75.2 | -176.8 | -156.5 | 0 | 0 | 114.2 | K459 R461 K467 | K459-E463 WeakPolarHBondContact CE-OE1 3.46Å; K459-E463 WeakPolarHBondContact O-CG 3.26Å; K459-E463 PolarHBondContact O-N 2.99Å; R461-E463 VanDerWaalsContact C-N 3.3Å; R461-E463 PolarHBondContact O-N 3.14Å; E463-K467 WeakPolarHBondContact O-CD 3.26Å; E463-K467 WeakPolarHBondContact O-CE 3.48Å; E463-K467 VanDerWaalsContact O-CG 3.26Å; E463-K467 WeakPolarHBondContact O-CG 3.38Å; E463-K467 PolarHBondContact O-NZ 2.84Å |
| 464 | R | 74.8 | Confident | 69.6 | Low | 121 Ų | 121 | 79.7 Ų | 79.7 | 46% | 0.457 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -85.9 | -41.6 | 167.4 | -67.1 | 178.9 | -140.6 | -175.5 | 2.6 | 111 | A460 R461 Y462 V466 K467 G468 E469 | A460-R464 WeakPolarHBondContact O-CG 3.38Å; A460-R464 PolarHBondContact O-N 2.84Å; R461-R464 WeakPolarHBondContact O-CB 3.32Å; R461-R464 PolarHBondContact O-N 2.94Å; Y462-R464 PolarHBondContact O-N 3.12Å; R464-V466 VanDerWaalsContact C-N 3.34Å; R464-V466 PolarHBondContact O-N 2.98Å; R464-K467 WeakPolarHBondContact O-CA 3.17Å; R464-K467 WeakPolarHBondContact O-CB 3.31Å; R464-K467 PolarHBondContact O-N 3.1Å; R464-G468 PolarHBondContact O-N 3.01Å; R464-E469 CarbonylContact C-O 3.56Å; R464-E469 HydrophobicContact CB-CB 4.28Å; R464-E469 PolarHBondContact O-N 3.14Å |
| 465 | F | 72.8 | Confident | 67.8 | Low | 33 Ų | 33 | 82.4 Ų | 82.4 | 15% | 0.145 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -54.2 | -50 | 176.1 | -169.6 | -116.1 | 0 | 0 | 0 | 111.7 | V352 E355 F356 E359 R461 Y462 K467 G468 P471 | V352-F465 HydrophobicContact CG1-CD1 3.8Å; V352-F465 HydrophobicContact CG1-CE1 3.71Å; V352-F465 WeakPolarHBondContact O-CE1 3.41Å; E355-F465 HydrophobicContact CB-CE1 4.4Å; E355-F465 HydrophobicContact CB-CZ 4.41Å; F356-F465 HydrophobicContact CB-CD1 3.66Å; F356-F465 HydrophobicContact CB-CE1 3.81Å; F356-F465 HydrophobicContact CB-CG 4.23Å; F356-F465 HydrophobicContact CD2-CB 3.77Å; F356-F465 HydrophobicContact CD2-CD1 4.08Å; F356-F465 HydrophobicContact CD2-CD2 4.25Å; F356-F465 AromaticContact CD2-CG 3.77Å; F356-F465 HydrophobicContact CD2-CG 3.77Å; F356-F465 HydrophobicContact CE2-CB 4.3Å; F356-F465 HydrophobicContact CG-CD1 4.26Å; F356-F465 HydrophobicContact CG-CG 4.41Å; E359-F465 WeakPolarHBondContact OE1-CE2 3.4Å; E359-F465 WeakPolarHBondContact OE1-CZ 3.27Å; E359-F465 WeakPolarHBondContact OE2-CE2 3.31Å; R461-F465 PolarHBondContact O-N 3.26Å; Y462-F465 WeakPolarHBondContact O-CB 3.2Å; Y462-F465 PolarHBondContact O-N 3.49Å; Y462-F465 VanDerWaalsContact O-N 3.17Å; F465-K467 PolarHBondContact O-N 2.66Å; F465-K467 VanDerWaalsContact O-N 3.14Å; F465-G468 PolarHBondContact O-N 2.98Å; F465-P471 HydrophobicContact CB-CG 3.5Å; F465-P471 VanDerWaalsContact CB-CG 3.5Å; F465-P471 HydrophobicContact CD2-CG 3.84Å; F465-P471 HydrophobicContact CG-CG 4.12Å |
| 466 | V | 76.5 | Confident | 65.7 | Low | 85 Ų | 85 | 87.8 Ų | 87.8 | 52% | 0.515 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -19.1 | 178.3 | 174.1 | 0 | 0 | 0 | 0 | 112.8 | V352 Y462 R464 | V352-V466 HydrophobicContact CG1-CG2 4.1Å; Y462-V466 HydrophobicContact CD1-CG2 4.24Å; Y462-V466 HydrophobicContact CD2-CG2 4.15Å; Y462-V466 HydrophobicContact CE1-CG2 3.73Å; Y462-V466 HydrophobicContact CE2-CG2 3.61Å; Y462-V466 HydrophobicContact CG-CG2 4.43Å; Y462-V466 WeakPolarHBondContact O-CG2 3.13Å; Y462-V466 PolarHBondContact O-N 3.04Å; R464-V466 VanDerWaalsContact C-N 3.34Å; R464-V466 PolarHBondContact O-N 2.98Å |
| 467 | K | 74.6 | Confident | 63.7 | Low | 138 Ų | 138 | 91.5 Ų | 91.5 | 60% | 0.6 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -3.8 | 174.8 | -66.6 | 172.7 | -168.9 | 126.1 | 0 | 113.3 | E463 R464 F465 E469 | E463-K467 WeakPolarHBondContact O-CD 3.26Å; E463-K467 WeakPolarHBondContact O-CE 3.48Å; E463-K467 VanDerWaalsContact O-CG 3.26Å; E463-K467 WeakPolarHBondContact O-CG 3.38Å; E463-K467 PolarHBondContact O-NZ 2.84Å; R464-K467 WeakPolarHBondContact O-CA 3.17Å; R464-K467 WeakPolarHBondContact O-CB 3.31Å; R464-K467 PolarHBondContact O-N 3.1Å; F465-K467 PolarHBondContact O-N 2.66Å; F465-K467 VanDerWaalsContact O-N 3.14Å; K467-E469 VanDerWaalsContact C-N 3.35Å |
| 468 | G | 61.1 | Low | 61.8 | Low | 70 Ų | 70 | 94.1 Ų | 94.1 | 72% | 0.722 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | 13.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | R464 F465 | R464-G468 PolarHBondContact O-N 3.01Å; F465-G468 PolarHBondContact O-N 2.98Å |
| 469 | E | 59.4 | Low | 60 | Low | 116 Ų | 116 | 102.5 Ų | 102.5 | 54% | 0.542 | 52% | 0.518 | S | S | . | . | trans | -93.2 | 124.9 | 169.8 | -68.7 | 172.2 | -179.9 | 0 | 0 | 108.4 | R464 K467 P471 | R464-E469 CarbonylContact C-O 3.56Å; R464-E469 HydrophobicContact CB-CB 4.28Å; R464-E469 PolarHBondContact O-N 3.14Å; K467-E469 VanDerWaalsContact C-N 3.35Å; E469-P471 WeakPolarHBondContact O-CD 3.26Å; E469-P471 VanDerWaalsContact O-N 3.07Å | ||
| 470 | N | 52.5 | Low | 57.8 | Low | 86 Ų | 86 | 105.2 Ų | 105.2 | 46% | 0.46 | 54% | 0.538 | S | S | . | . | trans | -59.5 | 110.9 | 178.9 | -85.6 | -29 | 0 | 0 | 0 | 110.1 | F472 E473 | N470-F472 PolarHBondContact O-N 3.41Å; N470-E473 HydrophobicContact CB-CB 3.75Å; N470-E473 HydrophobicContact CB-CG 3.6Å; N470-E473 VanDerWaalsContact ND2-CD 3.26Å; N470-E473 PolarHBondContact ND2-OE1 2.81Å; N470-E473 PolarHBondContact O-N 2.98Å; N470-E473 VanDerWaalsContact O-N 3.11Å | ||
| 471 | P | 57.3 | Low | 56.1 | Low | 12 Ų | 12 | 112.1 Ų | 112.1 | 8% | 0.078 | 56% | 0.564 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -69 | -6.3 | -174 | -14.5 | 27.5 | 0 | 0 | 0 | 114.3 | F356 R461 F465 E469 | F356-P471 HydrophobicContact CD2-CG 4.33Å; F356-P471 HydrophobicContact CE2-CB 4.2Å; F356-P471 HydrophobicContact CE2-CG 4Å; R461-P471 HydrophobicContact CB-CB 3.9Å; R461-P471 HydrophobicContact CG-CB 4.35Å; R461-P471 WeakPolarHBondContact O-CG 3.41Å; F465-P471 HydrophobicContact CB-CG 3.5Å; F465-P471 VanDerWaalsContact CB-CG 3.5Å; F465-P471 HydrophobicContact CD2-CG 3.84Å; F465-P471 HydrophobicContact CG-CG 4.12Å; E469-P471 WeakPolarHBondContact O-CD 3.26Å; E469-P471 VanDerWaalsContact O-N 3.07Å |
| 472 | F | 49.2 | Very low | 54.2 | Low | 59 Ų | 59 | 117.8 Ų | 117.8 | 26% | 0.259 | 59% | 0.593 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -123.1 | -1 | -175 | -55 | -82.6 | 0 | 0 | 0 | 112 | F356 C360 N363 N470 I474 | F356-F472 HydrophobicContact CD2-CE2 4.4Å; F356-F472 AromaticContact CE2-CE2 3.99Å; F356-F472 HydrophobicContact CE2-CE2 3.99Å; F356-F472 HydrophobicContact CE2-CZ 4.11Å; C360-F472 HydrophobicContact CB-CE1 4.47Å; C360-F472 HydrophobicContact CB-CZ 3.78Å; N363-F472 HydrophobicContact CB-CB 4.23Å; N363-F472 HydrophobicContact CB-CD1 3.79Å; N363-F472 HydrophobicContact CB-CD2 4.43Å; N363-F472 HydrophobicContact CB-CE1 4.24Å; N363-F472 HydrophobicContact CB-CG 3.9Å; N363-F472 WeakPolarHBondContact ND2-CB 3.31Å; N363-F472 WeakPolarHBondContact ND2-CD2 3.3Å; N363-F472 WeakPolarHBondContact ND2-CG 3.33Å; N470-F472 PolarHBondContact O-N 3.41Å; F472-I474 VanDerWaalsContact C-N 3.34Å; F472-I474 PolarHBondContact O-N 3.22Å |
| 473 | E | 47.8 | Very low | 52 | Low | 142 Ų | 142 | 123.6 Ų | 123.6 | 66% | 0.664 | 63% | 0.626 | S | S | * | * | trans | -70.4 | 99.5 | 160 | -88.4 | 174.6 | -169.3 | 0 | 0 | 107.5 | N470 | N470-E473 HydrophobicContact CB-CB 3.75Å; N470-E473 HydrophobicContact CB-CG 3.6Å; N470-E473 VanDerWaalsContact ND2-CD 3.26Å; N470-E473 PolarHBondContact ND2-OE1 2.81Å; N470-E473 PolarHBondContact O-N 2.98Å; N470-E473 VanDerWaalsContact O-N 3.11Å | ||
| 474 | I | 48.9 | Very low | 50.1 | Low | 124 Ų | 124 | 128.9 Ų | 128.9 | 64% | 0.636 | 65% | 0.651 | S | S | * | * | trans | -61.4 | 136.3 | 161.6 | -60.4 | 173.1 | 0 | 0 | 0 | 106.3 | F472 D476 | F472-I474 VanDerWaalsContact C-N 3.34Å; F472-I474 PolarHBondContact O-N 3.22Å; I474-D476 WeakPolarHBondContact CG2-OD1 3.46Å; I474-D476 PolarHBondContact O-N 3.28Å | ||
| 475 | Q | 44.2 | Very low | 47.7 | Very low | 187 Ų | 187 | 126.8 Ų | 126.8 | 87% | 0.874 | 67% | 0.666 | S | S | * | * | trans | -75.2 | 62.1 | -179.6 | -164.8 | 170.1 | 14.5 | 0 | 0 | 110.2 | H477 | Q475-H477 PolarHBondContact O-N 3.06Š| ||
| 476 | D | 39.8 | Very low | 45.5 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | trans | -74.9 | 60.4 | 176.8 | -72.8 | -26 | 0 | 0 | 0 | 110.2 | I474 | I474-D476 WeakPolarHBondContact CG2-OD1 3.46Å; I474-D476 PolarHBondContact O-N 3.28Å | ||
| 477 | H | 35 | Very low | 43.6 | Very low | 176 Ų | 176 | 137.1 Ų | 137.1 | 82% | 0.815 | 72% | 0.715 | S | S | * | * | trans | -143.8 | 64 | -176 | -134 | 55.9 | 0 | 0 | 0 | 113.2 | Q475 | Q475-H477 PolarHBondContact O-N 3.06Š| ||
| 478 | S | 38.1 | Very low | 41.7 | Very low | 117 Ų | 117 | 139 Ų | 139 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 176.1 | 71.3 | 138.2 | 59.8 | 0 | 0 | 0 | 0 | 114.8 | ||
| 479 | Q | 41 | Very low | 40.2 | Very low | 191 Ų | 191 | 142.7 Ų | 142.7 | 89% | 0.893 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -139 | 1.6 | 158.1 | -78.6 | -158.3 | -14.3 | 0 | 0 | 116.3 | Q481 | Q479-Q481 PolarHBondContact O-N 3.25Š|
| 480 | D | 34.4 | Very low | 38.9 | Very low | 169 Ų | 169 | 145.1 Ų | 145.1 | 90% | 0.904 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -97.2 | 27.8 | -179.4 | -87.5 | -25.2 | 0 | 0 | 0 | 115.2 | ||
| 481 | Q | 39.5 | Very low | 38.2 | Very low | 181 Ų | 181 | 149.4 Ų | 149.4 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -141.2 | 59.4 | 172.4 | -69.8 | -169.1 | 18.3 | 0 | 0 | 113.1 | Q479 | Q479-Q481 PolarHBondContact O-N 3.25Š|
| 482 | Q | 36.7 | Very low | 37 | Very low | 192 Ų | 192 | 158.3 Ų | 158.3 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | trans | -175 | 73.1 | 153.7 | -105.5 | 154.9 | 47.2 | 0 | 0 | 112 | ||||
| 483 | I | 30.4 | Very low | 36 | Very low | 166 Ų | 166 | 163.2 Ų | 163.2 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | trans | -135.7 | 73.3 | 160.7 | -52.4 | -179.6 | 0 | 0 | 0 | 109.2 | ||||
| 484 | E | 36.9 | Very low | 35.3 | Very low | 203 Ų | 203 | 163.3 Ų | 163.3 | 95% | 0.949 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -142.3 | 103.6 | 149.3 | -79.8 | -163 | 166.8 | 0 | 0 | 107 | ||
| 485 | G | 26.3 | Very low | 34.6 | Very low | 76 Ų | 76 | 165.9 Ų | 165.9 | 78% | 0.784 | 84% | 0.837 | S | S | * | * | S | Bend | trans | 135 | 105.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 486 | D | 25.5 | Very low | 34.2 | Very low | 166 Ų | 166 | 162.1 Ų | 162.1 | 89% | 0.888 | 83% | 0.828 | S | S | * | * | trans | 74.5 | 155.5 | 151.6 | -96.6 | -29.8 | 0 | 0 | 0 | 122 | ||||
| 487 | E | 37.5 | Very low | 33.7 | Very low | 170 Ų | 170 | 163 Ų | 163 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | trans | -99.7 | 173.8 | -162.6 | -56.7 | 177.1 | 135.1 | 0 | 0 | 113 | ||||
| 488 | E | 33.8 | Very low | 33.7 | Very low | 177 Ų | 177 | 162.3 Ų | 162.3 | 83% | 0.827 | 83% | 0.829 | S | S | * | * | trans | 86.6 | 136.4 | 163.5 | -51.4 | -171.6 | 154.2 | 0 | 0 | 120.2 | ||||
| 489 | D | 29.3 | Very low | 33.4 | Very low | 147 Ų | 147 | 161.9 Ų | 161.9 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | trans | 70.2 | 102.4 | 158 | -64 | -8.5 | 0 | 0 | 0 | 124.5 | ||||
| 490 | E | 33.7 | Very low | 33 | Very low | 167 Ų | 167 | 155.2 Ų | 155.2 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | trans | 52.4 | 121.9 | 131.1 | -65.1 | -159.8 | 164.5 | 0 | 0 | 124.4 | ||||
| 491 | E | 36.5 | Very low | 32.9 | Very low | 176 Ų | 176 | 156 Ų | 156 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | 62.3 | 146.5 | 139.4 | -62.4 | -160.5 | 161.4 | 0 | 0 | 121.7 | ||||
| 492 | K | 33.2 | Very low | 32.3 | Very low | 199 Ų | 199 | 153.8 Ų | 153.8 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | trans | 71.5 | 122.1 | 178.1 | -113.2 | 166.2 | -178 | 171.4 | 0 | 113 | ||||
| 493 | I | 28.4 | Very low | 32.1 | Very low | 163 Ų | 163 | 153.5 Ų | 153.5 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | -145.8 | 136.7 | 54.4 | -66.9 | 122.7 | 0 | 0 | 0 | 110.6 | |||||
| 494 | D | 31.8 | Very low | 32.2 | Very low | 144 Ų | 144 | 154.8 Ų | 154.8 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -132.7 | 90.8 | -174.4 | -150.3 | 22.1 | 0 | 0 | 0 | 110.1 | ||||
| 495 | E | 34.4 | Very low | 31.9 | Very low | 178 Ų | 178 | 154.7 Ų | 154.7 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -156.7 | 155.6 | 169.3 | -72.9 | -157.2 | 163.9 | 0 | 0 | 110.3 | ||||
| 496 | P | 35.3 | Very low | 32.1 | Very low | 107 Ų | 107 | 160 Ų | 160 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | -133.4 | 132.2 | -51.5 | 34.7 | -18.2 | 0 | 0 | 0 | 111.8 | E498 | P496-E498 PolarHBondContact O-N 3.42Š| |||
| 497 | I | 30.5 | Very low | 32.5 | Very low | 159 Ų | 159 | 161.3 Ų | 161.3 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | trans | -76 | 115.5 | 171.1 | -78.3 | 174.6 | 0 | 0 | 0 | 110.2 | E499 | I497-E499 HydrophobicContact CG2-CG 3.94Å; I497-E499 PolarHBondContact O-N 3.39Å | ||
| 498 | E | 35.3 | Very low | 32.3 | Very low | 161 Ų | 161 | 163 Ų | 163 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -73.8 | 103.1 | 164.8 | -66.4 | -167.7 | 158.3 | 0 | 0 | 109.8 | P496 | P496-E498 PolarHBondContact O-N 3.42Š| ||
| 499 | E | 31.8 | Very low | 32.1 | Very low | 107 Ų | 107 | 159.4 Ų | 159.4 | 50% | 0.5 | 79% | 0.789 | S | S | . | * | trans | -105.5 | 118.3 | 159.1 | -79.9 | -175 | 153.8 | 0 | 0 | 108.3 | R297 I497 | R297-E499 IonicContact CZ-OE2 2.74Å; R297-E499 IonicContact NH1-OE2 3.03Å; R297-E499 IonicContact NH2-OE2 2.82Å; R297-E499 PolarHBondContact NH2-OE2 3.41Å; I497-E499 HydrophobicContact CG2-CG 3.94Å; I497-E499 PolarHBondContact O-N 3.39Å | ||
| 500 | E | 32.8 | Very low | 32.1 | Very low | 51 Ų | 51 | 161.7 Ų | 161.7 | 24% | 0.238 | 80% | 0.795 | C | S | . | * | trans | -72.2 | 162 | -174.1 | -59.1 | 177.2 | -139 | 0 | 0 | 113.6 | I457 R461 | I457-E500 HydrophobicContact CB-CG 4.46Å; I457-E500 WeakPolarHBondContact CB-OE2 3.36Å; I457-E500 HydrophobicContact CD1-CB 4.35Å; I457-E500 HydrophobicContact CD1-CG 3.6Å; I457-E500 HydrophobicContact CG2-CG 4.3Å; I457-E500 VanDerWaalsContact CG2-OE1 3.26Å; I457-E500 WeakPolarHBondContact CG2-OE1 3.49Å; R461-E500 IonicContact CZ-OE1 2.72Å; R461-E500 IonicContact NH1-OE1 2.68Å; R461-E500 PolarHBondContact NH1-OE1 3.22Å; R461-E500 IonicContact NH2-OE1 3.84Å; R461-E500 PolarHBondContact NH2-OE1 3.48Å | ||
| 501 | E | 31.7 | Very low | 31.8 | Very low | 186 Ų | 186 | 162.9 Ų | 162.9 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | trans | -89.8 | 109.5 | -179.5 | -58.9 | 175.9 | 143.7 | 0 | 0 | 110.4 | ||||
| 502 | D | 26.4 | Very low | 31.5 | Very low | 134 Ų | 134 | 161 Ų | 161 | 72% | 0.717 | 80% | 0.801 | S | S | * | * | trans | -132.7 | 106.8 | 163.4 | -79.9 | -38.7 | 0 | 0 | 0 | 107.8 | ||||
| 503 | E | 32.3 | Very low | 31.2 | Very low | 186 Ų | 186 | 154.9 Ų | 154.9 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | trans | 168.2 | 67.2 | 158.6 | -99.8 | 178 | -153 | 0 | 0 | 112.3 | ||||
| 504 | E | 32.1 | Very low | 31.1 | Very low | 194 Ų | 194 | 156.4 Ų | 156.4 | 91% | 0.907 | 80% | 0.798 | S | S | * | * | trans | -151.2 | 94.3 | 157.8 | -73.2 | -163.4 | 178.7 | 0 | 0 | 110.7 | ||||
| 505 | E | 31 | Very low | 31 | Very low | 200 Ų | 200 | 156.3 Ų | 156.3 | 94% | 0.935 | 80% | 0.802 | S | S | * | * | trans | 178.5 | 76.4 | 154.4 | -106.9 | 177.6 | -157.8 | 0 | 0 | 111.9 | ||||
| 506 | E | 31.8 | Very low | 30.7 | Very low | 187 Ų | 187 | 156.6 Ų | 156.6 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -151.9 | 46.6 | 163.2 | -101.2 | -161.5 | -179.6 | 0 | 0 | 112.3 | ||||
| 507 | E | 34 | Very low | 30.4 | Very low | 195 Ų | 195 | 160.2 Ų | 160.2 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -148.5 | 72.2 | 163.5 | -77 | -161.6 | -178.8 | 0 | 0 | 111.8 | ||
| 508 | E | 31.4 | Very low | 30.3 | Very low | 204 Ų | 204 | 159.4 Ų | 159.4 | 95% | 0.953 | 81% | 0.814 | S | S | * | * | trans | -174.7 | 91.1 | 150 | -97.8 | -154 | 174.9 | 0 | 0 | 110.2 | ||||
| 509 | A | 30.3 | Very low | 30 | Very low | 103 Ų | 103 | 160.3 Ų | 160.3 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | trans | -171.3 | 48.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 510 | E | 29.7 | Very low | 29.7 | Very low | 195 Ų | 195 | 164.1 Ų | 164.1 | 91% | 0.911 | 84% | 0.836 | S | S | * | * | trans | -106.4 | 155.6 | 150.9 | -91 | -159.7 | 142.6 | 0 | 0 | 108.6 | ||||
| 511 | E | 26.6 | Very low | 29.6 | Very low | 192 Ų | 192 | 168.7 Ų | 168.7 | 90% | 0.897 | 87% | 0.867 | S | S | * | * | trans | 68.4 | 125.1 | -163.1 | -114.5 | -166 | 150.1 | 0 | 0 | 112.6 | ||||
| 512 | V | 30.2 | Very low | 29.4 | Very low | 136 Ų | 136 | 168.1 Ų | 168.1 | 82% | 0.824 | 86% | 0.864 | S | S | * | * | cis | -147.6 | 153 | 18 | 176.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 513 | G | 27.4 | Very low | 29.4 | Very low | 71 Ų | 71 | 171.1 Ų | 171.1 | 73% | 0.732 | 87% | 0.874 | S | S | * | * | cis | 167.7 | -166.3 | 3.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 514 | E | 27.1 | Very low | 29.1 | Very low | 194 Ų | 194 | 168 Ų | 168 | 91% | 0.907 | 87% | 0.867 | S | S | * | * | trans | -88 | 143.9 | -178.1 | -56.5 | 169.3 | 122.3 | 0 | 0 | 113.9 | ||||
| 515 | V | 30 | Very low | 29 | Very low | 142 Ų | 142 | 170.9 Ų | 170.9 | 86% | 0.861 | 87% | 0.87 | S | S | * | * | -159.1 | 159.9 | 120.8 | -127.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 516 | E | 28.3 | Very low | 28.8 | Very low | 184 Ų | 184 | 165.3 Ų | 165.3 | 86% | 0.86 | 87% | 0.866 | S | S | * | * | trans | -56.3 | 177.6 | -168.5 | -67.7 | 168.5 | 124.7 | 0 | 0 | 121.8 | ||||
| 517 | E | 28 | Very low | 28.5 | Very low | 183 Ų | 183 | 160.5 Ų | 160.5 | 86% | 0.855 | 87% | 0.867 | S | S | * | * | trans | -68.3 | 170.3 | -177.7 | -49.9 | 172.6 | 133.7 | 0 | 0 | 115.8 | ||||
| 518 | V | 28.5 | Very low | 28.2 | Very low | 142 Ų | 142 | 155 Ų | 155 | 86% | 0.861 | 86% | 0.862 | S | S | * | * | -176.7 | 153.6 | 110.3 | 156.6 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 519 | E | 29 | Very low | 28.1 | Very low | 180 Ų | 180 | 152.2 Ų | 152.2 | 84% | 0.841 | 85% | 0.852 | S | S | * | * | trans | -73.8 | -172.7 | -175.4 | -61.7 | -179 | 104.8 | 0 | 0 | 116.8 | ||||
| 520 | E | 26 | Very low | 28.1 | Very low | 187 Ų | 187 | 156 Ų | 156 | 87% | 0.874 | 85% | 0.853 | S | S | * | * | trans | 95.2 | 110.3 | 162.4 | -60.8 | -163.1 | 150.8 | 0 | 0 | 118.9 | ||||
| 521 | V | 29.3 | Very low | 28 | Very low | 147 Ų | 147 | 150.5 Ų | 150.5 | 89% | 0.891 | 85% | 0.847 | S | S | * | * | trans | -135.2 | 125 | 151.5 | 178.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 522 | E | 27.3 | Very low | 28.3 | Very low | 175 Ų | 175 | 150.8 Ų | 150.8 | 82% | 0.818 | 85% | 0.849 | S | S | * | * | trans | -64.3 | 143.7 | 178.3 | -66 | 177.3 | 109.4 | 0 | 0 | 113.6 | ||||
| 523 | E | 27.9 | Very low | 28.2 | Very low | 197 Ų | 197 | 147.9 Ų | 147.9 | 92% | 0.921 | 85% | 0.846 | S | S | * | * | trans | -79.1 | 112.6 | 156.5 | -75.8 | -167.7 | 123.4 | 0 | 0 | 110.9 | ||||
| 524 | V | 26.4 | Very low | 28.3 | Very low | 121 Ų | 121 | 151.5 Ų | 151.5 | 73% | 0.733 | 85% | 0.849 | S | S | * | * | trans | -142.3 | 95.8 | 158.3 | -173.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 525 | R | 28 | Very low | 28.5 | Very low | 254 Ų | 254 | 148.7 Ų | 148.7 | 96% | 0.958 | 84% | 0.839 | S | S | * | * | trans | -167.6 | 113.3 | 137.7 | -125.6 | 175.9 | 170.1 | 178.2 | -4.3 | 114 | ||||
| 526 | G | 26.9 | Very low | 28.5 | Very low | 83 Ų | 83 | 150.7 Ų | 150.7 | 86% | 0.856 | 84% | 0.839 | S | S | * | * | trans | -162.4 | 68.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 527 | G | 27.1 | Very low | 28.6 | Very low | 86 Ų | 86 | 145 Ų | 145 | 89% | 0.887 | 83% | 0.829 | S | S | * | * | trans | -91 | 137.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 528 | G | 26.8 | Very low | 28.8 | Very low | 79 Ų | 79 | 143.8 Ų | 143.8 | 81% | 0.814 | 83% | 0.834 | S | S | * | * | trans | -179 | 94.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 529 | I | 28.9 | Very low | 28.8 | Very low | 145 Ų | 145 | 139.8 Ų | 139.8 | 74% | 0.744 | 82% | 0.822 | S | S | * | * | trans | -119 | 123.2 | 179.9 | -70.1 | -179.6 | 0 | 0 | 0 | 109 | ||||
| 530 | E | 30 | Very low | 28.9 | Very low | 184 Ų | 184 | 141.1 Ų | 141.1 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | trans | 64.2 | 139.3 | 152.9 | -66.4 | 157.7 | -155.6 | 0 | 0 | 121.6 | ||||
| 531 | G | 28 | Very low | 29.1 | Very low | 78 Ų | 78 | 135.7 Ų | 135.7 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | -179.1 | 93.1 | 175 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 532 | E | 32.9 | Very low | 29.1 | Very low | 198 Ų | 198 | 132.3 Ų | 132.3 | 93% | 0.925 | 82% | 0.817 | S | S | * | * | trans | -70.7 | 156.6 | -164.5 | -53.9 | 173.8 | 130.8 | 0 | 0 | 114.6 | ||||
| 533 | G | 28.3 | Very low | 29.2 | Very low | 75 Ų | 75 | 132.2 Ų | 132.2 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | 179.5 | 56.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 534 | N | 30.2 | Very low | 29.4 | Very low | 147 Ų | 147 | 128.8 Ų | 128.8 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | trans | -10.9 | 133.6 | 153.4 | -145.9 | 12.9 | 0 | 0 | 0 | 115.5 | ||||
| 535 | I | 30 | Very low | 29.6 | Very low | 135 Ų | 135 | 126.8 Ų | 126.8 | 69% | 0.692 | 81% | 0.812 | S | S | * | * | -167.9 | 154.5 | 70.9 | -73.1 | 141.8 | 0 | 0 | 0 | 110.6 | |||||
| 536 | E | 31 | Very low | 29.8 | Very low | 185 Ų | 185 | 118.7 Ų | 118.7 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -14.6 | 147.8 | 158.5 | -53 | 166.4 | 161.7 | 0 | 0 | 118.3 | ||||
| 537 | G | 31.1 | Very low | 30 | Very low | 64 Ų | 64 | 122 Ų | 122 | 66% | 0.66 | 80% | 0.803 | S | S | * | * | cis | 158.7 | 177.6 | 2.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 538 | V | 30.8 | Very low | 30.2 | Very low | 158 Ų | 158 | 121 Ų | 121 | 96% | 0.958 | 79% | 0.793 | S | S | * | * | trans | 65 | 129.3 | 174.4 | -164.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 539 | G | 28.6 | Very low | 30.4 | Very low | 58 Ų | 58 | 126.3 Ų | 126.3 | 60% | 0.598 | 80% | 0.796 | S | S | * | * | cis | 151.5 | 143.8 | -0.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 540 | E | 31.5 | Very low | 30.5 | Very low | 208 Ų | 208 | 125.5 Ų | 125.5 | 97% | 0.972 | 80% | 0.798 | S | S | * | * | trans | 61 | 142.1 | 168.7 | -55.9 | 179.5 | 149.9 | 0 | 0 | 116.9 | ||||
| 541 | G | 29.9 | Very low | 30.7 | Very low | 73 Ų | 73 | 125.8 Ų | 125.8 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | cis | 155.5 | 124.7 | -2.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 542 | G | 30.3 | Very low | 30.7 | Very low | 75 Ų | 75 | 125.8 Ų | 125.8 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | 65.3 | 178.3 | 166 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 543 | E | 29.4 | Very low | 30.6 | Very low | 174 Ų | 174 | 123.9 Ų | 123.9 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | cis | -164.3 | 161.8 | -27.3 | -137.6 | -169.6 | 133.3 | 0 | 0 | 107.9 | ||||
| 544 | V | 31.5 | Very low | 30.6 | Very low | 125 Ų | 125 | 123.4 Ų | 123.4 | 76% | 0.758 | 80% | 0.796 | S | S | * | * | trans | 45 | 120.6 | 162.7 | -57 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 545 | G | 30 | Very low | 30.6 | Very low | 79 Ų | 79 | 125.7 Ų | 125.7 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | 101.7 | 165.8 | 76.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 546 | A | 32.6 | Very low | 30.7 | Very low | 84 Ų | 84 | 125.3 Ų | 125.3 | 69% | 0.694 | 81% | 0.806 | S | S | * | * | cis | -164.9 | 160.4 | -10.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 547 | V | 32 | Very low | 30.7 | Very low | 153 Ų | 153 | 125.8 Ų | 125.8 | 93% | 0.927 | 81% | 0.808 | S | S | * | * | trans | 50.8 | 148.7 | 161.1 | -63.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 548 | G | 29.5 | Very low | 30.7 | Very low | 64 Ų | 64 | 131.4 Ų | 131.4 | 66% | 0.66 | 82% | 0.817 | S | S | * | * | cis | 162.9 | 159.6 | -2.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 549 | E | 31.4 | Very low | 30.8 | Very low | 191 Ų | 191 | 130.9 Ų | 130.9 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | 61.7 | 161.9 | 163.5 | -44.7 | -176.3 | 129.2 | 0 | 0 | 116.7 | ||||
| 550 | V | 32.6 | Very low | 31 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 78% | 0.776 | 83% | 0.826 | S | S | * | * | cis | -146.2 | 179.2 | 4.9 | -137.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 551 | E | 33.4 | Very low | 31 | Very low | 190 Ų | 190 | 136.1 Ų | 136.1 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | trans | -51 | 166.4 | -178.7 | -57.4 | 167.3 | 142.7 | 0 | 0 | 120 | ||||
| 552 | G | 27.5 | Very low | 31.1 | Very low | 78 Ų | 78 | 141.1 Ų | 141.1 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | -179.7 | 138.1 | 162.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 553 | V | 32.2 | Very low | 31.2 | Very low | 157 Ų | 157 | 143.8 Ų | 143.8 | 95% | 0.952 | 83% | 0.828 | S | S | * | * | trans | -128.9 | 154 | -167.5 | 177.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 554 | G | 27 | Very low | 31.4 | Very low | 66 Ų | 66 | 139.9 Ų | 139.9 | 68% | 0.68 | 83% | 0.825 | S | S | * | * | trans | 128.8 | 156 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 555 | E | 31.5 | Very low | 31.5 | Very low | 194 Ų | 194 | 142.4 Ų | 142.4 | 91% | 0.907 | 83% | 0.826 | S | S | * | * | cis | -160 | 178.4 | -16.4 | -138.1 | 178.9 | 160.3 | 0 | 0 | 109.1 | ||||
| 556 | V | 31.8 | Very low | 31.5 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | trans | -64 | 155 | -174.7 | -89.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 557 | E | 30.1 | Very low | 31.5 | Very low | 195 Ų | 195 | 151 Ų | 151 | 91% | 0.911 | 83% | 0.83 | S | S | * | * | -160.8 | 153.3 | 128.3 | -131.3 | 174.2 | -174.4 | 0 | 0 | 113.6 | |||||
| 558 | E | 32.3 | Very low | 32.4 | Very low | 182 Ų | 182 | 149.1 Ų | 149.1 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | trans | -110.3 | 150.9 | -179.8 | -56.9 | 174.3 | 135.5 | 0 | 0 | 111.2 | ||||
| 559 | V | 31.7 | Very low | 32.6 | Very low | 146 Ų | 146 | 151.1 Ų | 151.1 | 89% | 0.885 | 83% | 0.832 | S | S | * | * | trans | -149.9 | 132.7 | 153.8 | -179.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 560 | E | 32.7 | Very low | 32.6 | Very low | 182 Ų | 182 | 148.3 Ų | 148.3 | 85% | 0.85 | 82% | 0.823 | S | S | * | * | trans | -90.7 | 153.2 | 169.1 | -51.4 | 172.1 | 124.8 | 0 | 0 | 111.3 | ||||
| 561 | E | 31.1 | Very low | 32.7 | Very low | 194 Ų | 194 | 150 Ų | 150 | 91% | 0.907 | 82% | 0.82 | S | S | * | * | -172.4 | 177.3 | 129.2 | -121.3 | -173.1 | 156.2 | 0 | 0 | 114.5 | |||||
| 562 | E | 33.4 | Very low | 33.4 | Very low | 179 Ų | 179 | 146.8 Ų | 146.8 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | trans | -106.5 | -172.6 | -151.5 | -55.6 | -172 | 132.1 | 0 | 0 | 117.1 | ||||
| 563 | T | 31.9 | Very low | 33.9 | Very low | 131 Ų | 131 | 148.6 Ų | 148.6 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -61.4 | 153.8 | 179.4 | 57.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 564 | A | 33.3 | Very low | 34.4 | Very low | 92 Ų | 92 | 150.5 Ų | 150.5 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | 178.4 | 127.2 | 123.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 565 | K | 33.3 | Very low | 35.3 | Very low | 178 Ų | 178 | 154.3 Ų | 154.3 | 77% | 0.774 | 81% | 0.81 | S | S | * | * | trans | 39.4 | 142.8 | 130.3 | -74.7 | 174.3 | 146.6 | -130.3 | 0 | 125.8 | ||||
| 566 | E | 29.8 | Very low | 36.3 | Very low | 164 Ų | 164 | 151.4 Ų | 151.4 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | trans | 107.7 | 146.7 | 132.8 | -87.3 | 161.5 | -140.4 | 0 | 0 | 122.7 | ||||
| 567 | E | 33.8 | Very low | 37.1 | Very low | 178 Ų | 178 | 153 Ų | 153 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -74.7 | -165.2 | -169.7 | -100.3 | -179.4 | 170.5 | 0 | 0 | 115.5 | ||||
| 568 | P | 49.4 | Very low | 37.6 | Very low | 115 Ų | 115 | 152.1 Ų | 152.1 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | cis | -134.8 | 178.5 | -26.4 | 28.7 | -7.9 | 0 | 0 | 0 | 114.1 | ||||
| 569 | A | 33.8 | Very low | 37.7 | Very low | 105 Ų | 105 | 154.5 Ų | 154.5 | 87% | 0.868 | 82% | 0.821 | S | S | * | * | trans | -168.6 | 160 | 146.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 570 | D | 32.4 | Very low | 38 | Very low | 132 Ų | 132 | 154.9 Ų | 154.9 | 71% | 0.706 | 82% | 0.818 | S | S | * | * | trans | -141.3 | 162 | -148.9 | -154.9 | -8.3 | 0 | 0 | 0 | 115.3 | ||||
| 571 | F | 34.7 | Very low | 38.3 | Very low | 163 Ų | 163 | 153.5 Ų | 153.5 | 72% | 0.715 | 82% | 0.816 | S | S | * | * | trans | 66 | 161.1 | 167 | -70.9 | -69.2 | 0 | 0 | 0 | 120.9 | ||||
| 572 | P | 47 | Very low | 38.7 | Very low | 124 Ų | 124 | 151.2 Ų | 151.2 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | cis | -123.3 | 172.4 | 6.4 | 33.2 | -13.1 | 0 | 0 | 0 | 118.2 | ||||
| 573 | V | 39.3 | Very low | 39 | Very low | 116 Ų | 116 | 149.6 Ų | 149.6 | 70% | 0.703 | 81% | 0.81 | S | S | * | * | trans | -107.7 | 145.3 | -179.2 | 167.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 574 | E | 41.1 | Very low | 39.4 | Very low | 196 Ų | 196 | 150.8 Ų | 150.8 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | trans | -133.1 | 157.5 | 151.1 | -78.7 | -167.9 | 157.4 | 0 | 0 | 110.6 | ||||
| 575 | Q | 45.9 | Very low | 39.8 | Very low | 146 Ų | 146 | 154.7 Ų | 154.7 | 68% | 0.682 | 81% | 0.813 | S | S | * | * | trans | -92.6 | 177.2 | -157.1 | -61.2 | 167 | -30.9 | 0 | 0 | 114.9 | ||||
| 576 | P | 52.7 | Low | 40.3 | Very low | 134 Ų | 134 | 153 Ų | 153 | 87% | 0.87 | 82% | 0.816 | S | S | * | * | -123.2 | 149.8 | 118.9 | 35.9 | -32.3 | 0 | 0 | 0 | 113.4 | |||||
| 577 | E | 48.7 | Very low | 41.1 | Very low | 160 Ų | 160 | 152.2 Ų | 152.2 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | trans | -97.3 | 171.2 | -179.4 | -66.7 | -170.7 | 124.6 | 0 | 0 | 113.9 | ||||
| 578 | E | 41.3 | Very low | 41.7 | Very low | 177 Ų | 177 | 150 Ų | 150 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | trans | 74.1 | 125.7 | 171.2 | -51.6 | -168.7 | 155.3 | 0 | 0 | 116.7 | ||||
| 579 | N | 34 | Very low | 41 | Very low | 232 Ų | 232 | 153.2 Ų | 153.2 | 100% | 1.241 | 83% | 0.825 | S | S | * | * | cis | -124.5 | 0 | 10.8 | -91.2 | -96.4 | 0 | 0 | 0 | 113.1 |
Retrieved 579 of 579 residues in 105.7 ms
(Link to these results)