| 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 | 41.3 | Very low | 44.2 | Very low | 226 Ų | 226 | 166.1 Ų | 166.1 | 100% | 1.113 | 80% | 0.802 | S | S | * | * | 0 | 108.8 | 0 | -67 | 173 | -176.6 | 0 | 0 | 107.4 | |||||
| 2 | L | 46.5 | Very low | 44.1 | Very low | 174 Ų | 174 | 164.1 Ų | 164.1 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | trans | 156.5 | 59.5 | 178.5 | -95.3 | 150.1 | 0 | 0 | 0 | 105.8 | ||||
| 3 | W | 41.4 | Very low | 43.6 | Very low | 207 Ų | 207 | 166.5 Ų | 166.5 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | 51.1 | 101.1 | 89.3 | -76.1 | 93.2 | 0 | 0 | 0 | 114.6 | |||||
| 4 | K | 41.7 | Very low | 43.5 | Very low | 164 Ų | 164 | 164.6 Ų | 164.6 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | trans | 31.1 | 108.9 | 145.1 | -62.4 | -178.4 | 179.2 | -179.6 | 0 | 118.1 | ||||
| 5 | I | 56.7 | Low | 43.3 | Very low | 177 Ų | 177 | 162.3 Ų | 162.3 | 91% | 0.908 | 80% | 0.802 | S | S | * | * | trans | -114.9 | 104 | 135.1 | -61.8 | 177.5 | 0 | 0 | 0 | 106.4 | ||||
| 6 | T | 45.2 | Very low | 43 | Very low | 95 Ų | 95 | 161.6 Ų | 161.6 | 58% | 0.583 | 80% | 0.796 | S | S | * | * | trans | -117.5 | 159.3 | 162.5 | 49.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 7 | D | 44.1 | Very low | 42.9 | Very low | 141 Ų | 141 | 162 Ų | 162 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | trans | 88 | 143.6 | 158.2 | -46.8 | -52.5 | 0 | 0 | 0 | 118.5 | ||||
| 8 | N | 41.7 | Very low | 42.8 | Very low | 154 Ų | 154 | 164.4 Ų | 164.4 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | 68.4 | 72.4 | 172 | -62.7 | -8.2 | 0 | 0 | 0 | 119.2 | ||||
| 9 | V | 43 | Very low | 43.1 | Very low | 117 Ų | 117 | 165.8 Ų | 165.8 | 71% | 0.709 | 81% | 0.805 | S | S | * | * | trans | -121.2 | 94.1 | 134 | -171.1 | 0 | 0 | 0 | 0 | 108.9 | Y11 | V9-Y11 HydrophobicContact CG1-CD2 3.56Å; V9-Y11 HydrophobicContact CG1-CE2 3.47Å; V9-Y11 VanDerWaalsContact CG1-CE2 3.47Å; V9-Y11 PolarHBondContact O-N 3.3Å | ||
| 10 | K | 41.7 | Very low | 42.8 | Very low | 163 Ų | 163 | 165.1 Ų | 165.1 | 71% | 0.709 | 81% | 0.805 | S | S | * | * | trans | -80.9 | 97.1 | 167.2 | -176.5 | -159.8 | 179.7 | -146.2 | 0 | 106.8 | E12 | K10-E12 IonicContact NZ-OE1 3.81Å; K10-E12 PolarHBondContact NZ-OE1 3.39Å | ||
| 11 | Y | 43.4 | Very low | 42.8 | Very low | 209 Ų | 209 | 163 Ų | 163 | 82% | 0.82 | 81% | 0.808 | S | S | * | * | trans | -73.3 | 125.4 | 163.8 | -90.2 | -82.8 | 0 | 0 | 0 | 108 | V9 | V9-Y11 HydrophobicContact CG1-CD2 3.56Å; V9-Y11 HydrophobicContact CG1-CE2 3.47Å; V9-Y11 VanDerWaalsContact CG1-CE2 3.47Å; V9-Y11 PolarHBondContact O-N 3.3Å | ||
| 12 | E | 42.4 | Very low | 42.7 | Very low | 142 Ų | 142 | 158.3 Ų | 158.3 | 66% | 0.664 | 80% | 0.797 | S | S | * | * | trans | -75.6 | 144.3 | 169.3 | -55.8 | -148.5 | 122 | 0 | 0 | 109.7 | K10 D14 | K10-E12 IonicContact NZ-OE1 3.81Å; K10-E12 PolarHBondContact NZ-OE1 3.39Å; E12-D14 PolarHBondContact O-N 3.06Å | ||
| 13 | E | 38.2 | Very low | 42.6 | Very low | 195 Ų | 195 | 155.9 Ų | 155.9 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | trans | -79 | 106.3 | 167.6 | -71.1 | 174.7 | 124.4 | 0 | 0 | 107.7 | ||||
| 14 | D | 42 | Very low | 42.6 | Very low | 141 Ų | 141 | 154.2 Ų | 154.2 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | trans | -152.4 | 118.4 | 159.1 | -110.2 | -31.7 | 0 | 0 | 0 | 110.3 | E12 | E12-D14 PolarHBondContact O-N 3.06Š| ||
| 15 | C | 40 | Very low | 42.7 | Very low | 129 Ų | 129 | 150.3 Ų | 150.3 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -168.5 | 111.6 | 157.6 | -96.3 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 16 | E | 38.1 | Very low | 42 | Very low | 151 Ų | 151 | 149.3 Ų | 149.3 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 146.7 | -168.8 | -54.8 | 145.9 | 94.5 | 0 | 0 | 112.8 | ||
| 17 | D | 41.8 | Very low | 42.2 | Very low | 169 Ų | 169 | 149 Ų | 149 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -99 | 120.5 | 151.5 | -113.4 | -41 | 0 | 0 | 0 | 107.8 | ||
| 18 | R | 40.4 | Very low | 42.3 | Very low | 206 Ų | 206 | 153.8 Ų | 153.8 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 131.7 | -176.4 | -71.6 | 179 | 175.1 | 152 | 1.1 | 110.5 | ||
| 19 | H | 48.7 | Very low | 42.9 | Very low | 190 Ų | 190 | 153.4 Ų | 153.4 | 88% | 0.88 | 81% | 0.807 | S | S | * | * | trans | -113.7 | 117.5 | 162.7 | -109.2 | -74.1 | 0 | 0 | 0 | 109.6 | ||||
| 20 | D | 38.6 | Very low | 43.2 | Very low | 151 Ų | 151 | 152.5 Ų | 152.5 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | trans | -64.3 | 137.9 | 173.9 | -76.3 | -58.8 | 0 | 0 | 0 | 111.9 | ||||
| 21 | S | 43 | Very low | 43.2 | Very low | 123 Ų | 123 | 152.7 Ų | 152.7 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -158.2 | 101.3 | 163 | -79.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 22 | S | 39.1 | Very low | 43.6 | Very low | 127 Ų | 127 | 151.3 Ų | 151.3 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | trans | -68.5 | 129.1 | -179 | -55.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 23 | S | 43.1 | Very low | 43.5 | Very low | 122 Ų | 122 | 149.6 Ų | 149.6 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -162.2 | 130.2 | 156.2 | -171.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 24 | N | 41.1 | Very low | 43.5 | Very low | 172 Ų | 172 | 145.8 Ų | 145.8 | 92% | 0.92 | 81% | 0.811 | S | S | * | * | trans | -47.3 | 143.7 | -176.2 | -76.7 | -27.3 | 0 | 0 | 0 | 117.8 | ||||
| 25 | G | 45 | Very low | 43.7 | Very low | 82 Ų | 82 | 145.3 Ų | 145.3 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | 167.8 | 98.8 | 157.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 26 | N | 42.1 | Very low | 43.9 | Very low | 157 Ų | 157 | 142.8 Ų | 142.8 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | trans | -118.4 | 177.2 | -176.3 | -149.6 | 21.2 | 0 | 0 | 0 | 110.8 | ||||
| 27 | P | 49.6 | Very low | 44.1 | Very low | 87 Ų | 87 | 143.5 Ų | 143.5 | 57% | 0.565 | 82% | 0.815 | S | S | * | * | -128 | -173.2 | -90 | 41.3 | -26.2 | 0 | 0 | 0 | 114.8 | |||||
| 28 | R | 44.8 | Very low | 44.2 | Very low | 243 Ų | 243 | 142.7 Ų | 142.7 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | trans | -170 | 102 | 153 | -103.7 | 159.4 | -177.1 | 167.5 | 2 | 110.6 | ||||
| 29 | I | 54.1 | Low | 44.4 | Very low | 146 Ų | 146 | 140.6 Ų | 140.6 | 75% | 0.749 | 81% | 0.809 | S | S | * | * | 61 | 134.9 | 76.7 | -69.7 | -178.6 | 0 | 0 | 0 | 113.5 | |||||
| 30 | P | 50.3 | Low | 44 | Very low | 97 Ų | 97 | 142.7 Ų | 142.7 | 63% | 0.63 | 81% | 0.81 | S | S | * | * | cis | -155.7 | -166.7 | -24.9 | 46.1 | -25.2 | 0 | 0 | 0 | 117.6 | ||||
| 31 | H | 42.5 | Very low | 44.3 | Very low | 167 Ų | 167 | 141 Ų | 141 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | 59.6 | 127.7 | 145.2 | -73.8 | -64 | 0 | 0 | 0 | 124.9 | ||||
| 32 | L | 50.2 | Low | 44.5 | Very low | 180 Ų | 180 | 140.8 Ų | 140.8 | 94% | 0.942 | 81% | 0.806 | S | S | * | * | trans | -156.1 | 158.7 | 130.9 | -105.5 | 167 | 0 | 0 | 0 | 109.8 | ||||
| 33 | S | 40.8 | Very low | 44.8 | Very low | 107 Ų | 107 | 139.4 Ų | 139.4 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -122 | 151.8 | -155.4 | -57.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 34 | S | 37.8 | Very low | 45.1 | Very low | 114 Ų | 114 | 139 Ų | 139 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -53.4 | -176.1 | 164.5 | -80.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 35 | P | 46 | Very low | 45.3 | Very low | 131 Ų | 131 | 136.6 Ų | 136.6 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | cis | -136.2 | -176 | -30.1 | 33.1 | -13.2 | 0 | 0 | 0 | 114.2 | ||||
| 36 | G | 45.3 | Very low | 45.4 | Very low | 77 Ų | 77 | 140.2 Ų | 140.2 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | -158.9 | 133 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 37 | Q | 41.4 | Very low | 45.2 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 77% | 0.771 | 79% | 0.787 | S | S | * | * | trans | -66.3 | 155.2 | -168.4 | -59 | 165.7 | -9.1 | 0 | 0 | 116.7 | ||||
| 38 | H | 43.9 | Very low | 45 | Very low | 153 Ų | 153 | 142 Ų | 142 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | 161.1 | 132.3 | 113.4 | -88.6 | -72.4 | 0 | 0 | 0 | 117.1 | |||||
| 39 | L | 45.4 | Very low | 44.8 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | 73.2 | 132.2 | 142.2 | -64.9 | 162.9 | 0 | 0 | 0 | 122.9 | ||||
| 40 | Y | 39.1 | Very low | 44 | Very low | 234 Ų | 234 | 133.6 Ų | 133.6 | 92% | 0.918 | 80% | 0.797 | S | S | * | * | trans | -87.9 | 159.1 | 175.3 | -81.4 | -103.8 | 0 | 0 | 0 | 113 | ||||
| 41 | S | 46.2 | Very low | 43.6 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -158.8 | 124.3 | 152.5 | -160.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 42 | P | 47.1 | Very low | 43.6 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 148.7 | 173.8 | 35.7 | -31.2 | 0 | 0 | 0 | 112.6 | ||
| 43 | A | 45.7 | Very low | 43.1 | Very low | 97 Ų | 97 | 132.2 Ų | 132.2 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 149 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 44 | P | 48.7 | Very low | 43.4 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 158.8 | -176.5 | 35 | -36.3 | 0 | 0 | 0 | 113.4 | ||
| 45 | P | 45.2 | Very low | 43.9 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 137.1 | 177.2 | 32.2 | -33.9 | 0 | 0 | 0 | 112.1 | ||
| 46 | L | 47.2 | Very low | 44.9 | Very low | 159 Ų | 159 | 139.1 Ų | 139.1 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 116.4 | 173.1 | -74.2 | 171.7 | 0 | 0 | 0 | 111 | ||
| 47 | S | 37.9 | Very low | 46 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | -94 | 113.7 | 168.6 | -57.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 48 | H | 46.1 | Very low | 47.2 | Very low | 170 Ų | 170 | 138.5 Ų | 138.5 | 79% | 0.787 | 79% | 0.794 | S | S | * | * | trans | -124.7 | 120.7 | 166.9 | -86.2 | -67.5 | 0 | 0 | 0 | 111.8 | ||||
| 49 | T | 40.1 | Very low | 48.4 | Very low | 131 Ų | 131 | 140.8 Ų | 140.8 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -67.4 | 156.1 | 174.6 | 46 | 0 | 0 | 0 | 0 | 112 | ||||
| 50 | G | 38.1 | Very low | 49.7 | Very low | 81 Ų | 81 | 141.9 Ų | 141.9 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -62.9 | 157.5 | -166.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 51 | V | 40.7 | Very low | 51.2 | Low | 142 Ų | 142 | 135.3 Ų | 135.3 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | -132.5 | 150.4 | 169.1 | -169.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 52 | A | 42.6 | Very low | 52.2 | Low | 80 Ų | 80 | 134.3 Ų | 134.3 | 66% | 0.661 | 77% | 0.773 | S | S | * | * | trans | -60.2 | 154 | -159.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | Y54 | A52-Y54 PolarHBondContact O-N 3.05Š| ||
| 53 | E | 40.2 | Very low | 52.8 | Low | 193 Ų | 193 | 134.5 Ų | 134.5 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | trans | -58.7 | 102.8 | 171.1 | -172.5 | 171.2 | -168.9 | 0 | 0 | 111.8 | Q55 | E53-Q55 PolarHBondContact O-N 2.67Š| ||
| 54 | Y | 46.5 | Very low | 52.7 | Low | 216 Ų | 216 | 141 Ų | 141 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | trans | -82.9 | 98.4 | 172.7 | -96.5 | -90.9 | 0 | 0 | 0 | 110.5 | A52 | A52-Y54 PolarHBondContact O-N 3.05Š| ||
| 55 | Q | 49.6 | Very low | 52.8 | Low | 175 Ų | 175 | 143.8 Ų | 143.8 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -68 | 123.2 | 171 | -169 | 179.5 | 2.8 | 0 | 0 | 110.3 | E53 | E53-Q55 PolarHBondContact O-N 2.67Š|
| 56 | P | 65.8 | Low | 52.4 | Low | 105 Ų | 105 | 147.3 Ų | 147.3 | 68% | 0.682 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 145.9 | 177.9 | 28.7 | -33.8 | 0 | 0 | 0 | 111.3 | ||
| 57 | P | 69.1 | Low | 52.2 | Low | 114 Ų | 114 | 146.9 Ų | 146.9 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 152.5 | 178.7 | 28.5 | -35 | 0 | 0 | 0 | 111.8 | Y59 | P57-Y59 PolarHBondContact O-N 3.46Š|
| 58 | P | 65.3 | Low | 52.3 | Low | 115 Ų | 115 | 146.1 Ų | 146.1 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 126.7 | -175.2 | 26.2 | -34.3 | 0 | 0 | 0 | 112 | F60 | P58-F60 PolarHBondContact O-N 2.71Š|
| 59 | Y | 70.5 | Confident | 51.9 | Low | 201 Ų | 201 | 148.6 Ų | 148.6 | 79% | 0.788 | 79% | 0.791 | S | S | * | * | trans | -79.9 | 113.8 | -179.5 | -173.3 | -90.9 | 0 | 0 | 0 | 111.1 | P57 | P57-Y59 PolarHBondContact O-N 3.46Š| ||
| 60 | F | 72.2 | Confident | 51.9 | Low | 184 Ų | 184 | 147.7 Ų | 147.7 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 124.8 | 169.4 | -95.8 | -93.8 | 0 | 0 | 0 | 110.6 | P58 | P58-F60 PolarHBondContact O-N 2.71Š|
| 61 | P | 71.4 | Confident | 51.8 | Low | 96 Ų | 96 | 153.1 Ų | 153.1 | 62% | 0.623 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 141.2 | 175.3 | 29.7 | -33.7 | 0 | 0 | 0 | 111.1 | ||
| 62 | P | 66.8 | Low | 51.8 | Low | 97 Ų | 97 | 151.6 Ų | 151.6 | 63% | 0.63 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 151.2 | 176.3 | 29.6 | -34.7 | 0 | 0 | 0 | 111.5 | ||
| 63 | P | 58.8 | Low | 51.5 | Low | 122 Ų | 122 | 152.6 Ų | 152.6 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -69 | 139.2 | -177.7 | 28.5 | -34.8 | 0 | 0 | 0 | 111.9 | Q65 | P63-Q65 PolarHBondContact O-N 3.13Å; P63-Q65 VanDerWaalsContact O-N 3.16Å |
| 64 | Y | 43.2 | Very low | 51.3 | Low | 234 Ų | 234 | 150.6 Ų | 150.6 | 92% | 0.918 | 79% | 0.794 | S | S | * | * | trans | -64 | 111.6 | 174 | -85.2 | -95.7 | 0 | 0 | 0 | 111 | ||||
| 65 | Q | 51.6 | Low | 51.1 | Low | 172 Ų | 172 | 148.8 Ų | 148.8 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -82.8 | 115.5 | 158.8 | -74.5 | -176.3 | -21.6 | 0 | 0 | 108.9 | P63 L67 | P63-Q65 PolarHBondContact O-N 3.13Å; P63-Q65 VanDerWaalsContact O-N 3.16Å; Q65-L67 PolarHBondContact O-N 3.21Å | ||
| 66 | Q | 37.3 | Very low | 50.7 | Low | 194 Ų | 194 | 150.7 Ų | 150.7 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | trans | -69.9 | 113.7 | 167.2 | -70.3 | -167.3 | -47.6 | 0 | 0 | 109.1 | A68 | Q66-A68 PolarHBondContact O-N 3.22Š| ||
| 67 | L | 42.9 | Very low | 49.5 | Very low | 151 Ų | 151 | 150.9 Ų | 150.9 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | -74.7 | 114.8 | 166.7 | -86.6 | 80.7 | 0 | 0 | 0 | 109 | Q65 Y69 | Q65-L67 PolarHBondContact O-N 3.21Å; L67-Y69 PolarHBondContact O-N 3.13Å | ||
| 68 | A | 38.6 | Very low | 48.6 | Very low | 96 Ų | 96 | 153.5 Ų | 153.5 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | trans | -64.5 | 118.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q66 S70 | Q66-A68 PolarHBondContact O-N 3.22Å; A68-S70 PolarHBondContact O-N 3.18Å | ||
| 69 | Y | 39.3 | Very low | 47.9 | Very low | 221 Ų | 221 | 155 Ų | 155 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | -78 | 104.9 | 170.3 | -108.2 | -93.2 | 0 | 0 | 0 | 109.3 | L67 Q71 | L67-Y69 PolarHBondContact O-N 3.13Å; Y69-Q71 PolarHBondContact O-N 3.24Å | ||
| 70 | S | 40.5 | Very low | 46.6 | Very low | 113 Ų | 113 | 148 Ų | 148 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | -66.6 | 115.2 | 162.1 | -68.4 | 0 | 0 | 0 | 0 | 108.8 | A68 S72 | A68-S70 PolarHBondContact O-N 3.18Å; S70-S72 PolarHBondContact O-N 3.16Å | ||
| 71 | Q | 35.5 | Very low | 45.3 | Very low | 195 Ų | 195 | 145.9 Ų | 145.9 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 118.1 | 173.1 | -66.4 | -178.6 | -0 | 0 | 0 | 109.8 | Y69 | Y69-Q71 PolarHBondContact O-N 3.24Š|
| 72 | S | 40.8 | Very low | 44 | Very low | 109 Ų | 109 | 145.1 Ų | 145.1 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 125 | 158.5 | 53.9 | 0 | 0 | 0 | 0 | 108.1 | S70 | S70-S72 PolarHBondContact O-N 3.16Š|
| 73 | A | 34.9 | Very low | 42.9 | Very low | 102 Ų | 102 | 149.9 Ų | 149.9 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 134.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 74 | D | 37 | Very low | 42.4 | Very low | 151 Ų | 151 | 147.6 Ų | 147.6 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | trans | -147 | 142.9 | 160.8 | -100.2 | -44.2 | 0 | 0 | 0 | 110.9 | Y76 | D74-Y76 PolarHBondContact O-N 3.46Š| ||
| 75 | H | 42.6 | Very low | 42.8 | Very low | 178 Ų | 178 | 140.4 Ų | 140.4 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -79 | 102.8 | -171.1 | -69.5 | 81.3 | 0 | 0 | 0 | 111.8 | ||
| 76 | Y | 40 | Very low | 42.8 | Very low | 214 Ų | 214 | 136.1 Ų | 136.1 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | trans | -173.8 | 48.3 | 154.2 | -101.1 | -63.1 | 0 | 0 | 0 | 113.3 | D74 H78 | D74-Y76 PolarHBondContact O-N 3.46Å; Y76-H78 PolarHBondContact O-N 3.03Å | ||
| 77 | S | 40.9 | Very low | 43.4 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -76.1 | -7.9 | -170.4 | -52.9 | 0 | 0 | 0 | 0 | 116.9 | L79 | S77-L79 PolarHBondContact O-N 3.43Š|
| 78 | H | 49.8 | Very low | 43.4 | Very low | 170 Ų | 170 | 133.8 Ų | 133.8 | 79% | 0.787 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -85.8 | 6.8 | -165 | -140.7 | -53.9 | 0 | 0 | 0 | 116.2 | Y76 | Y76-H78 PolarHBondContact O-N 3.03Š|
| 79 | L | 51.1 | Low | 43.3 | Very low | 146 Ų | 146 | 135.2 Ų | 135.2 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -105.6 | -10.5 | -178.2 | -78.3 | 166.1 | 0 | 0 | 0 | 114.5 | S77 | S77-L79 PolarHBondContact O-N 3.43Š|
| 80 | G | 43.1 | Very low | 43.4 | Very low | 53 Ų | 53 | 131.9 Ų | 131.9 | 55% | 0.546 | 75% | 0.754 | S | S | . | * | S | Bend | trans | -78.3 | -33.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 81 | E | 44.4 | Very low | 43.4 | Very low | 141 Ų | 141 | 135.1 Ų | 135.1 | 66% | 0.659 | 76% | 0.756 | S | S | * | * | H | α-helix | trans | -79.9 | -23.1 | -169.4 | -72.3 | 155.2 | 147 | 0 | 0 | 113.3 | Y83 A85 | E81-Y83 VanDerWaalsContact C-N 3.28Å; E81-Y83 PolarHBondContact O-N 3.03Å; E81-A85 PolarHBondContact O-N 3.46Å |
| 82 | A | 45.8 | Very low | 43.3 | Very low | 80 Ų | 80 | 134.5 Ų | 134.5 | 66% | 0.661 | 75% | 0.753 | S | S | * | * | H | α-helix | trans | -66.9 | -25.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 83 | Y | 42.7 | Very low | 43.4 | Very low | 196 Ų | 196 | 135 Ų | 135 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | H | α-helix | trans | -90.3 | -29.2 | -179.5 | -139.7 | -96.7 | 0 | 0 | 0 | 112.7 | E81 | E81-Y83 VanDerWaalsContact C-N 3.28Å; E81-Y83 PolarHBondContact O-N 3.03Å |
| 84 | A | 49.2 | Very low | 43.6 | Very low | 74 Ų | 74 | 134.3 Ų | 134.3 | 61% | 0.612 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -73.2 | -30.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A86 | A84-A86 VanDerWaalsContact C-N 3.3Å; A84-A86 PolarHBondContact O-N 3.16Å |
| 85 | A | 50.1 | Low | 43.5 | Very low | 83 Ų | 83 | 131.3 Ų | 131.3 | 69% | 0.686 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -17.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E81 M87 | E81-A85 PolarHBondContact O-N 3.46Å; A85-M87 VanDerWaalsContact C-N 3.33Å |
| 86 | A | 52.3 | Low | 43.4 | Very low | 82 Ų | 82 | 130 Ų | 130 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -5.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | A84 | A84-A86 VanDerWaalsContact C-N 3.3Å; A84-A86 PolarHBondContact O-N 3.16Å |
| 87 | M | 49.3 | Very low | 43.3 | Very low | 148 Ų | 148 | 123.6 Ų | 123.6 | 73% | 0.729 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -126 | 49.9 | -173.4 | -67.5 | -161.6 | 158.5 | 0 | 0 | 113.3 | A85 | A85-M87 VanDerWaalsContact C-N 3.33Š|
| 88 | N | 42.7 | Very low | 43 | Very low | 148 Ų | 148 | 123.7 Ų | 123.7 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | -159.9 | 87.2 | 164.4 | -105.5 | -30.1 | 0 | 0 | 0 | 112.9 | L90 | N88-L90 PolarHBondContact O-N 3.18Š| ||
| 89 | P | 37.8 | Very low | 42.4 | Very low | 126 Ų | 126 | 124.6 Ų | 124.6 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -94.7 | 48.5 | 179.2 | 38.3 | -34.9 | 0 | 0 | 0 | 112.6 | ||||
| 90 | L | 40.5 | Very low | 41.7 | Very low | 151 Ų | 151 | 125.8 Ų | 125.8 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | -159.1 | 85 | 174.5 | -149.5 | 74.8 | 0 | 0 | 0 | 114.3 | N88 | N88-L90 PolarHBondContact O-N 3.18Š| ||
| 91 | H | 40.1 | Very low | 41.7 | Very low | 182 Ų | 182 | 131.7 Ų | 131.7 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | trans | -179.5 | 118.7 | 135.9 | -102.2 | 71.7 | 0 | 0 | 0 | 111.4 | ||||
| 92 | Q | 33.7 | Very low | 41.3 | Very low | 182 Ų | 182 | 129.4 Ų | 129.4 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | -115.5 | 149.7 | 158 | -108.8 | -174.3 | 22.5 | 0 | 0 | 106.1 | ||||
| 93 | P | 42.7 | Very low | 40.6 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | -151.1 | 162.6 | 71.6 | 39 | -19.1 | 0 | 0 | 0 | 118.7 | |||||
| 94 | A | 38.8 | Very low | 40.7 | Very low | 87 Ų | 87 | 133.4 Ų | 133.4 | 72% | 0.719 | 79% | 0.786 | S | S | * | * | trans | 49.7 | 95.5 | 140.1 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 95 | A | 36.7 | Very low | 40.1 | Very low | 88 Ų | 88 | 132.9 Ų | 132.9 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | 62.5 | 142.1 | 110.8 | 0 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 96 | T | 38.9 | Very low | 39.4 | Very low | 150 Ų | 150 | 140.8 Ų | 140.8 | 92% | 0.92 | 80% | 0.799 | S | S | * | * | trans | 86.3 | 140.6 | 160.8 | 75.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 97 | G | 37.9 | Very low | 38.8 | Very low | 80 Ų | 80 | 146 Ų | 146 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | 117.2 | 80.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 98 | S | 34.6 | Very low | 38.1 | Very low | 112 Ų | 112 | 144 Ų | 144 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | trans | -72.3 | 132.8 | 168.8 | 53.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 99 | Q | 38.6 | Very low | 37.9 | Very low | 189 Ų | 189 | 144.2 Ų | 144.2 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | -176.6 | 162.6 | 114.2 | -102.9 | -166.8 | 14.2 | 0 | 0 | 113.4 | |||||
| 100 | Q | 36.9 | Very low | 37.8 | Very low | 171 Ų | 171 | 146.2 Ų | 146.2 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | trans | -88.7 | 144.1 | -177.3 | -58.1 | 161 | -35.6 | 0 | 0 | 111 | ||||
| 101 | Q | 41.7 | Very low | 37.7 | Very low | 177 Ų | 177 | 142.6 Ų | 142.6 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | 159 | 140.5 | 111.4 | -83.1 | -160 | -6 | 0 | 0 | 114.1 | |||||
| 102 | A | 36.2 | Very low | 37.5 | Very low | 92 Ų | 92 | 139.5 Ų | 139.5 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | 43.6 | 108.7 | 146.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 103 | W | 30.8 | Very low | 37.9 | Very low | 242 Ų | 242 | 136.5 Ų | 136.5 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | trans | -72.2 | 176.8 | 143.9 | -71.1 | 80.9 | 0 | 0 | 0 | 110.6 | ||||
| 104 | P | 45.7 | Very low | 37.5 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | cis | -135.9 | 170.3 | 0.5 | 32.2 | -11.5 | 0 | 0 | 0 | 116.8 | ||||
| 105 | G | 36.7 | Very low | 37.6 | Very low | 62 Ų | 62 | 139.8 Ų | 139.8 | 64% | 0.639 | 81% | 0.813 | S | S | * | * | 122.8 | 123.4 | 123 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 106 | R | 34 | Very low | 37.7 | Very low | 250 Ų | 250 | 139.8 Ų | 139.8 | 94% | 0.943 | 81% | 0.807 | S | S | * | * | trans | 67.1 | 149.3 | 169.1 | -54.4 | -174.9 | -178.2 | -85 | 0.7 | 113.4 | ||||
| 107 | Q | 39.9 | Very low | 37.8 | Very low | 192 Ų | 192 | 139.7 Ų | 139.7 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | cis | -146.2 | 162.1 | 28.9 | -172.4 | 166.9 | -4.3 | 0 | 0 | 112.3 | ||||
| 108 | S | 35.1 | Very low | 37.9 | Very low | 106 Ų | 106 | 144 Ų | 144 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -83.7 | 162.3 | -178.2 | -166.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 109 | Q | 39.5 | Very low | 38.2 | Very low | 151 Ų | 151 | 143.4 Ų | 143.4 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | 107.7 | 105.8 | 137.2 | -153.8 | 163.1 | 6.6 | 0 | 0 | 119.7 | ||||
| 110 | E | 35.6 | Very low | 38.3 | Very low | 169 Ų | 169 | 145.9 Ų | 145.9 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | 49.1 | 129.7 | 137.2 | -59 | 171.4 | 141.2 | 0 | 0 | 121.7 | ||||
| 111 | G | 37.2 | Very low | 38.5 | Very low | 75 Ų | 75 | 142.8 Ų | 142.8 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -177.1 | 62.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 112 | S | 37.4 | Very low | 38.5 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | 65.3 | 131.4 | 146.5 | -153.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 113 | S | 40.9 | Very low | 38.7 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | 126.3 | 123.4 | 130.7 | 72.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 114 | L | 35 | Very low | 39.4 | Very low | 182 Ų | 182 | 135.5 Ų | 135.5 | 95% | 0.953 | 78% | 0.78 | S | S | * | * | trans | -136.1 | 115.1 | -179.1 | -108.7 | 165.5 | 0 | 0 | 0 | 108.1 | ||||
| 115 | A | 39.6 | Very low | 39.2 | Very low | 93 Ų | 93 | 136 Ų | 136 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | 171.9 | 141.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 116 | S | 39.1 | Very low | 39.6 | Very low | 88 Ų | 88 | 138.7 Ų | 138.7 | 62% | 0.615 | 78% | 0.781 | S | S | * | * | cis | -167.2 | 173.1 | -8.9 | -71.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 117 | H | 41.9 | Very low | 39.8 | Very low | 149 Ų | 149 | 134.4 Ų | 134.4 | 69% | 0.69 | 77% | 0.772 | S | S | * | * | trans | 78 | 109.6 | 141.8 | -63.5 | -43.7 | 0 | 0 | 0 | 123.5 | ||||
| 118 | H | 39.9 | Very low | 40 | Very low | 170 Ų | 170 | 133.8 Ų | 133.8 | 79% | 0.787 | 77% | 0.773 | S | S | * | * | 66.2 | 147.9 | 127.1 | -53.4 | -43.6 | 0 | 0 | 0 | 120 | |||||
| 119 | S | 39.6 | Very low | 40.2 | Very low | 99 Ų | 99 | 134.7 Ų | 134.7 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | cis | -162.2 | 151.2 | 23 | 55.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 120 | R | 41.1 | Very low | 40.2 | Very low | 241 Ų | 241 | 130.8 Ų | 130.8 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | 55.1 | 153.2 | 143.8 | -63.5 | 177.7 | -178.8 | -148.8 | -0.8 | 120 | ||||
| 121 | S | 41.2 | Very low | 40.4 | Very low | 106 Ų | 106 | 131.1 Ų | 131.1 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | cis | -155.4 | 158.2 | 17.7 | -150.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 122 | A | 42.6 | Very low | 40.4 | Very low | 87 Ų | 87 | 136.7 Ų | 136.7 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | trans | 9.9 | 155.4 | 149 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 123 | S | 40.9 | Very low | 40.4 | Very low | 107 Ų | 107 | 134.9 Ų | 134.9 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | cis | -176.3 | 169.4 | 12.8 | 24.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 124 | L | 45.3 | Very low | 40.3 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | cis | -160.1 | -173.1 | -1.1 | -118.9 | 168.2 | 0 | 0 | 0 | 109.5 | ||||
| 125 | I | 41.4 | Very low | 40.5 | Very low | 131 Ų | 131 | 129.5 Ų | 129.5 | 67% | 0.672 | 78% | 0.781 | S | S | * | * | trans | -135.6 | 164.7 | 168 | -26.8 | 178.4 | 0 | 0 | 0 | 107.9 | ||||
| 126 | P | 44 | Very low | 40.4 | Very low | 117 Ų | 117 | 131.3 Ų | 131.3 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | -152.1 | 170.2 | 87 | 38.8 | -18.3 | 0 | 0 | 0 | 117.8 | |||||
| 127 | H | 37.8 | Very low | 40.3 | Very low | 161 Ų | 161 | 132.9 Ų | 132.9 | 75% | 0.745 | 79% | 0.794 | S | S | * | * | trans | -54.6 | 158.4 | 176.1 | -42.5 | -96.1 | 0 | 0 | 0 | 117.5 | ||||
| 128 | I | 44.5 | Very low | 40.2 | Very low | 178 Ų | 178 | 129.7 Ų | 129.7 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | -166.4 | 160.2 | 120.3 | 41.4 | 171.3 | 0 | 0 | 0 | 111.4 | |||||
| 129 | S | 39.2 | Very low | 40.2 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -107.3 | 150.9 | -171.7 | -55.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 130 | G | 39.2 | Very low | 40.2 | Very low | 70 Ų | 70 | 138 Ų | 138 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | 86.6 | 119.5 | 139.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 131 | L | 41.2 | Very low | 40.1 | Very low | 175 Ų | 175 | 133.4 Ų | 133.4 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | -177.6 | 161.4 | 122.1 | -100.1 | 159.1 | 0 | 0 | 0 | 111.4 | |||||
| 132 | E | 36.8 | Very low | 40 | Very low | 192 Ų | 192 | 133.4 Ų | 133.4 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -70.8 | 158.3 | -177.5 | -62.1 | 178 | 99.6 | 0 | 0 | 113.8 | ||||
| 133 | G | 38 | Very low | 40 | Very low | 79 Ų | 79 | 138 Ų | 138 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | trans | 141.7 | 112.3 | 149.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 134 | G | 38 | Very low | 40.3 | Very low | 76 Ų | 76 | 143.6 Ų | 143.6 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | trans | 88.5 | 96.4 | 139.1 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 135 | S | 38.2 | Very low | 39.8 | Very low | 111 Ų | 111 | 145 Ų | 145 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | 62.6 | 128.3 | 122.2 | -139.2 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 136 | V | 38.8 | Very low | 40.4 | Very low | 131 Ų | 131 | 144.8 Ų | 144.8 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | 62.1 | 105.9 | 147.6 | -65.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 137 | S | 37.4 | Very low | 40.2 | Very low | 122 Ų | 122 | 144.1 Ų | 144.1 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | 92.6 | 149.5 | 120.8 | -154.9 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 138 | A | 39.5 | Very low | 40.5 | Very low | 81 Ų | 81 | 144 Ų | 144 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | trans | 99.4 | 101.9 | 153.3 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 139 | R | 40.3 | Very low | 40.3 | Very low | 213 Ų | 213 | 142.2 Ų | 142.2 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | 61.3 | 130.7 | 127.4 | -68.4 | -170.8 | 174.7 | -148.8 | 6 | 123.6 | E141 | R139-E141 IonicContact NH1-OE2 2.97Š| |||
| 140 | R | 39.1 | Very low | 40.3 | Very low | 231 Ų | 231 | 144 Ų | 144 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | -175.9 | 131.9 | 103.5 | -95.1 | 167.5 | 174.1 | 167.9 | -0.2 | 108.8 | |||||
| 141 | E | 38.6 | Very low | 40.3 | Very low | 144 Ų | 144 | 146.2 Ų | 146.2 | 67% | 0.673 | 78% | 0.781 | S | S | * | * | 72.3 | 134.2 | 65.6 | -144.6 | 149.5 | -161.8 | 0 | 0 | 111.3 | R139 | R139-E141 IonicContact NH1-OE2 2.97Š| |||
| 142 | V | 39 | Very low | 40.1 | Very low | 106 Ų | 106 | 145.8 Ų | 145.8 | 64% | 0.642 | 77% | 0.774 | S | S | * | * | -165.9 | 147.4 | 59.8 | -170.1 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 143 | Y | 42.9 | Very low | 39.9 | Very low | 183 Ų | 183 | 140 Ų | 140 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | 164.4 | 104.5 | 123.3 | -98.9 | -81.6 | 0 | 0 | 0 | 118.4 | |||||
| 144 | R | 47.5 | Very low | 40 | Very low | 226 Ų | 226 | 144.1 Ų | 144.1 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | trans | 70.4 | 153.4 | 145 | -77.4 | -177.9 | -171 | -179.4 | 5.5 | 123.1 | ||||
| 145 | R | 35.1 | Very low | 39.8 | Very low | 194 Ų | 194 | 144.1 Ų | 144.1 | 73% | 0.732 | 75% | 0.749 | S | S | * | * | trans | -158.2 | 151.1 | -158.7 | 169.1 | -175.8 | -178.9 | 147.4 | 8.3 | 108.8 | D147 | R145-D147 IonicContact CZ-OD1 3.99Å; R145-D147 IonicContact CZ-OD2 2.86Å; R145-D147 VanDerWaalsContact CZ-OD2 3.24Å; R145-D147 IonicContact NE-OD1 3.71Å; R145-D147 IonicContact NE-OD2 3.24Å; R145-D147 PolarHBondContact NE-OD2 3.41Å; R145-D147 VanDerWaalsContact NH2-CG 3.31Å; R145-D147 IonicContact NH2-OD1 2.62Å; R145-D147 PolarHBondContact NH2-OD1 3.28Å; R145-D147 IonicContact NH2-OD2 3.14Å; R145-D147 PolarHBondContact NH2-OD2 3.3Å | ||
| 146 | S | 52.3 | Low | 39.8 | Very low | 126 Ų | 126 | 146.6 Ų | 146.6 | 88% | 0.881 | 75% | 0.753 | S | S | * | * | trans | -147.3 | 125.7 | 152.4 | -75.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 147 | D | 39.8 | Very low | 39.7 | Very low | 102 Ų | 102 | 149 Ų | 149 | 55% | 0.545 | 76% | 0.756 | S | S | . | * | trans | -82.8 | 160.8 | 171.1 | -62.3 | -92.9 | 0 | 0 | 0 | 111.5 | R145 | R145-D147 IonicContact CZ-OD1 3.99Å; R145-D147 IonicContact CZ-OD2 2.86Å; R145-D147 VanDerWaalsContact CZ-OD2 3.24Å; R145-D147 IonicContact NE-OD1 3.71Å; R145-D147 IonicContact NE-OD2 3.24Å; R145-D147 PolarHBondContact NE-OD2 3.41Å; R145-D147 VanDerWaalsContact NH2-CG 3.31Å; R145-D147 IonicContact NH2-OD1 2.62Å; R145-D147 PolarHBondContact NH2-OD1 3.28Å; R145-D147 IonicContact NH2-OD2 3.14Å; R145-D147 PolarHBondContact NH2-OD2 3.3Å | ||
| 148 | L | 45.4 | Very low | 39.4 | Very low | 159 Ų | 159 | 148 Ų | 148 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | 175.2 | 137.8 | 116.5 | -96.9 | 162.7 | 0 | 0 | 0 | 115.7 | |||||
| 149 | L | 40.4 | Very low | 39.3 | Very low | 141 Ų | 141 | 147.5 Ų | 147.5 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | trans | 84.7 | 87.7 | 154.5 | -58.4 | 176.8 | 0 | 0 | 0 | 123.4 | ||||
| 150 | L | 38.5 | Very low | 39.2 | Very low | 161 Ų | 161 | 145.6 Ų | 145.6 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | 62.7 | 155.7 | 121.1 | -89.2 | 84.4 | 0 | 0 | 0 | 125 | |||||
| 151 | P | 38.8 | Very low | 39.2 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | trans | -127.5 | 165.9 | -163.7 | 43.9 | -28.6 | 0 | 0 | 0 | 117.8 | ||||
| 152 | H | 37.4 | Very low | 39.1 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | -161.5 | 115.4 | 159.1 | -150.8 | 70.5 | 0 | 0 | 0 | 107.3 | H154 | H152-H154 AromaticContact NE2-CD2 3.72Å; H152-H154 AromaticContact NE2-NE2 3.67Å | ||
| 153 | A | 34.1 | Very low | 39.1 | Very low | 70 Ų | 70 | 142.4 Ų | 142.4 | 58% | 0.579 | 77% | 0.769 | S | S | * | * | 91.2 | 139.7 | 58.9 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 154 | H | 38.4 | Very low | 39 | Very low | 165 Ų | 165 | 141.7 Ų | 141.7 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | 76.9 | 151.5 | 175.9 | -44.8 | -74 | 0 | 0 | 0 | 118.1 | H152 | H152-H154 AromaticContact NE2-CD2 3.72Å; H152-H154 AromaticContact NE2-NE2 3.67Å | ||
| 155 | A | 33.8 | Very low | 38.5 | Very low | 76 Ų | 76 | 134.3 Ų | 134.3 | 63% | 0.628 | 77% | 0.771 | S | S | * | * | cis | -175.4 | 163 | -33 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 156 | L | 39.3 | Very low | 38.5 | Very low | 164 Ų | 164 | 133.4 Ų | 133.4 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | trans | 70.5 | 152.9 | 171.3 | -47.9 | 173.1 | 0 | 0 | 0 | 114.7 | ||||
| 157 | E | 35.6 | Very low | 37.9 | Very low | 182 Ų | 182 | 136 Ų | 136 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | cis | -148.8 | 164.9 | 11.7 | -154.8 | 164.2 | 174.1 | 0 | 0 | 111.3 | ||||
| 158 | A | 31.6 | Very low | 37.5 | Very low | 101 Ų | 101 | 139.7 Ų | 139.7 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | -126.5 | 144.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 159 | G | 37.1 | Very low | 37.3 | Very low | 70 Ų | 70 | 139.2 Ų | 139.2 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | trans | 178.9 | 153.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 160 | L | 39.7 | Very low | 36.9 | Very low | 173 Ų | 173 | 136.9 Ų | 136.9 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | 69.6 | 93.9 | 176.2 | -53.6 | 171.5 | 0 | 0 | 0 | 113.9 | ||||
| 161 | A | 38.1 | Very low | 36.9 | Very low | 87 Ų | 87 | 136.9 Ų | 136.9 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | cis | 73.3 | 100.6 | 38.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 162 | E | 35.8 | Very low | 36.8 | Very low | 182 Ų | 182 | 136.7 Ų | 136.7 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | 26.4 | 121.2 | 142.1 | -58.9 | 174.4 | 130.9 | 0 | 0 | 119.8 | ||||
| 163 | N | 39.2 | Very low | 37.1 | Very low | 144 Ų | 144 | 137 Ų | 137 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | -169.5 | 135.6 | 128.3 | -101.7 | -51.7 | 0 | 0 | 0 | 112 | |||||
| 164 | L | 40.3 | Very low | 37.3 | Very low | 168 Ų | 168 | 142.9 Ų | 142.9 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | trans | 51 | 137.5 | 142.3 | -49.9 | 166.8 | 0 | 0 | 0 | 118.9 | ||||
| 165 | G | 37.9 | Very low | 37.2 | Very low | 71 Ų | 71 | 143.7 Ų | 143.7 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | cis | 168.1 | 151.7 | 5.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | H167 | G165-H167 PolarHBondContact O-N 3.26Š| ||
| 166 | L | 34.9 | Very low | 37.7 | Very low | 176 Ų | 176 | 146.8 Ų | 146.8 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -63.5 | 130.9 | -178.4 | -73.4 | 149.6 | 0 | 0 | 0 | 111.5 | ||||
| 167 | H | 40.8 | Very low | 37.6 | Very low | 179 Ų | 179 | 147.5 Ų | 147.5 | 83% | 0.829 | 82% | 0.818 | S | S | * | * | trans | -147.6 | 110.2 | 147.7 | -116.5 | -71.5 | 0 | 0 | 0 | 112.2 | G165 | G165-H167 PolarHBondContact O-N 3.26Š| ||
| 168 | E | 31.1 | Very low | 37.7 | Very low | 180 Ų | 180 | 145 Ų | 145 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | trans | -70.1 | 129.9 | 162.9 | 178.6 | -174.8 | 141.7 | 0 | 0 | 109.2 | ||||
| 169 | M | 39.7 | Very low | 38.5 | Very low | 149 Ų | 149 | 145.6 Ų | 145.6 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -154.3 | 115.9 | 162.3 | -97.9 | -59.7 | -180 | 0 | 0 | 109.4 | ||||
| 170 | A | 32.3 | Very low | 38.5 | Very low | 92 Ų | 92 | 149.1 Ų | 149.1 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | -86.5 | 126.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 171 | H | 38.6 | Very low | 38.6 | Very low | 161 Ų | 161 | 148.5 Ų | 148.5 | 75% | 0.745 | 80% | 0.803 | S | S | * | * | trans | -131.6 | 133.5 | 168.2 | -75.3 | -64.1 | 0 | 0 | 0 | 111.1 | ||||
| 172 | P | 37.5 | Very low | 38.7 | Very low | 114 Ų | 114 | 147.7 Ų | 147.7 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | trans | -85.1 | 153.5 | -178.3 | 35.1 | -34.9 | 0 | 0 | 0 | 112.3 | E174 | P172-E174 PolarHBondContact O-N 3.06Š| ||
| 173 | I | 42.3 | Very low | 38.8 | Very low | 173 Ų | 173 | 147.6 Ų | 147.6 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | 7.8 | 108.2 | 153.3 | -53 | 171.7 | 0 | 0 | 0 | 115 | ||||
| 174 | E | 38.5 | Very low | 38.8 | Very low | 194 Ų | 194 | 149.1 Ų | 149.1 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | trans | -108.4 | 150.7 | 163.9 | -148.9 | 172.3 | -161 | 0 | 0 | 111.1 | P172 | P172-E174 PolarHBondContact O-N 3.06Š| ||
| 175 | E | 37.9 | Very low | 38.6 | Very low | 181 Ų | 181 | 148.8 Ų | 148.8 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -92 | 158.5 | -163.5 | -164.6 | 165.9 | -170.7 | 0 | 0 | 112.6 | Q177 | E175-Q177 PolarHBondContact O-N 3.27Š|
| 176 | V | 44.7 | Very low | 38.9 | Very low | 141 Ų | 141 | 152.5 Ų | 152.5 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 117.5 | -172.2 | 175.5 | 0 | 0 | 0 | 0 | 111.7 | N178 | V176-N178 PolarHBondContact O-N 3.39Š|
| 177 | Q | 36.5 | Very low | 39.2 | Very low | 180 Ų | 180 | 151.3 Ų | 151.3 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 117.4 | 173.2 | -144.1 | 169.1 | 20.2 | 0 | 0 | 110.4 | E175 | E175-Q177 PolarHBondContact O-N 3.27Š|
| 178 | N | 36.9 | Very low | 39 | Very low | 128 Ų | 128 | 149.4 Ų | 149.4 | 68% | 0.684 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 136.1 | 169.9 | -173.8 | 56.8 | 0 | 0 | 0 | 109.4 | V176 D180 | V176-N178 PolarHBondContact O-N 3.39Å; N178-D180 PolarHBondContact ND2-OD2 3.45Å |
| 179 | V | 48 | Very low | 39.8 | Very low | 115 Ų | 115 | 147.8 Ų | 147.8 | 70% | 0.697 | 78% | 0.781 | S | S | * | * | trans | -117 | 104.1 | 174.6 | -171.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 180 | D | 37.2 | Very low | 40.1 | Very low | 143 Ų | 143 | 146.5 Ų | 146.5 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | trans | -72.9 | 130.5 | 163.7 | -85.1 | -74.9 | 0 | 0 | 0 | 108.9 | N178 | N178-D180 PolarHBondContact ND2-OD2 3.45Š| ||
| 181 | D | 41.9 | Very low | 40.6 | Very low | 160 Ų | 160 | 148 Ų | 148 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | -121.4 | 130.9 | 170.1 | -128.3 | -34.9 | 0 | 0 | 0 | 109.6 | ||||
| 182 | A | 40.7 | Very low | 41.1 | Very low | 71 Ų | 71 | 147.2 Ų | 147.2 | 59% | 0.587 | 78% | 0.781 | S | S | * | * | trans | -109.8 | 170.2 | -163.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 183 | H | 38 | Very low | 41.5 | Very low | 179 Ų | 179 | 153.9 Ų | 153.9 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | 70.5 | 111.8 | 170.5 | -54.2 | -84.8 | 0 | 0 | 0 | 117.5 | ||||
| 184 | L | 40.2 | Very low | 41.5 | Very low | 177 Ų | 177 | 155.4 Ų | 155.4 | 93% | 0.927 | 79% | 0.792 | S | S | * | * | -159.4 | 115.9 | 112.4 | -104.1 | 163.6 | 0 | 0 | 0 | 109.7 | |||||
| 185 | L | 35.3 | Very low | 41.5 | Very low | 160 Ų | 160 | 149.7 Ų | 149.7 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | -119.2 | 106.6 | -175.8 | -167.2 | -176.9 | 0 | 0 | 0 | 107.4 | ||||
| 186 | L | 43.4 | Very low | 41.6 | Very low | 150 Ų | 150 | 146.3 Ų | 146.3 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -163.7 | 137.1 | 165.8 | -116.7 | 159.2 | 0 | 0 | 0 | 115.2 | ||||
| 187 | H | 42.3 | Very low | 41.7 | Very low | 150 Ų | 150 | 147.2 Ų | 147.2 | 69% | 0.694 | 78% | 0.777 | S | S | * | * | trans | 86.5 | 94.7 | 155.1 | -112.6 | 72.9 | 0 | 0 | 0 | 120.7 | Q189 | H187-Q189 PolarHBondContact NE2-NE2 2.93Š| ||
| 188 | D | 36.8 | Very low | 41.9 | Very low | 140 Ų | 140 | 144.3 Ų | 144.3 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -66.3 | 146.4 | 152.6 | 168 | 39.4 | 0 | 0 | 0 | 111.9 | ||||
| 189 | Q | 46.3 | Very low | 42 | Very low | 146 Ų | 146 | 146.6 Ų | 146.6 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | trans | 176.6 | 114.5 | 139.5 | -102 | 171.8 | 94.3 | 0 | 0 | 111.3 | H187 | H187-Q189 PolarHBondContact NE2-NE2 2.93Š| ||
| 190 | T | 47.3 | Very low | 41.9 | Very low | 122 Ų | 122 | 148.2 Ų | 148.2 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | 166.1 | 104.3 | 114.3 | 39.7 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 191 | V | 41.6 | Very low | 42.1 | Very low | 124 Ų | 124 | 151 Ų | 151 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | 45.2 | 96.1 | 129.7 | -166.5 | 0 | 0 | 0 | 0 | 121 | |||||
| 192 | I | 50.8 | Low | 42 | Very low | 144 Ų | 144 | 151.1 Ų | 151.1 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | 41.2 | 119.8 | 119.7 | -49 | 161.8 | 0 | 0 | 0 | 119.5 | |||||
| 193 | R | 46 | Very low | 42 | Very low | 253 Ų | 253 | 152.6 Ų | 152.6 | 96% | 0.955 | 81% | 0.805 | S | S | * | * | -164.2 | 161.3 | 115.3 | -103.9 | 168.4 | -166.7 | 153.3 | 6.7 | 113.3 | |||||
| 194 | K | 41.7 | Very low | 42.5 | Very low | 206 Ų | 206 | 152.6 Ų | 152.6 | 90% | 0.896 | 81% | 0.81 | S | S | * | * | trans | -132.2 | 138.1 | -150.2 | 177.8 | -174.7 | -176.4 | -179.8 | 0 | 110.9 | ||||
| 195 | G | 39.1 | Very low | 42.1 | Very low | 73 Ų | 73 | 147.3 Ų | 147.3 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | 170.5 | 118 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 196 | P | 39.2 | Very low | 42.5 | Very low | 111 Ų | 111 | 147.8 Ų | 147.8 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | trans | -118.7 | 170.8 | -178.3 | 43 | -33.5 | 0 | 0 | 0 | 114.3 | ||||
| 197 | I | 46.9 | Very low | 42.3 | Very low | 160 Ų | 160 | 147 Ų | 147 | 82% | 0.821 | 81% | 0.805 | S | S | * | * | trans | 74.6 | 115.5 | 164.6 | -47.3 | 160 | 0 | 0 | 0 | 116.5 | ||||
| 198 | S | 40.4 | Very low | 42 | Very low | 118 Ų | 118 | 144.9 Ų | 144.9 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | -175.9 | 159.1 | 101 | -152.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 199 | M | 38.9 | Very low | 41.7 | Very low | 176 Ų | 176 | 147 Ų | 147 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | trans | -112.2 | 137 | -177.8 | -62.7 | -150.3 | -63.9 | 0 | 0 | 112.5 | ||||
| 200 | T | 46.2 | Very low | 41.2 | Very low | 149 Ų | 149 | 148.3 Ų | 148.3 | 91% | 0.914 | 82% | 0.815 | S | S | * | * | trans | -144.7 | 148.1 | 159.3 | 36.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 201 | K | 40.8 | Very low | 40.3 | Very low | 203 Ų | 203 | 149.3 Ų | 149.3 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | -98 | 141.8 | -176.3 | -57.2 | 168.2 | 179.2 | 173 | 0 | 110.4 | ||||
| 202 | N | 40.3 | Very low | 40.3 | Very low | 161 Ų | 161 | 150.2 Ų | 150.2 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | -164.4 | 157.9 | 124.6 | -126.5 | 31.2 | 0 | 0 | 0 | 111.9 | |||||
| 203 | P | 40.1 | Very low | 39.8 | Very low | 102 Ų | 102 | 149.5 Ų | 149.5 | 66% | 0.662 | 82% | 0.817 | S | S | * | * | trans | -100.7 | 143.8 | -169.8 | 37 | -31 | 0 | 0 | 0 | 113.2 | ||||
| 204 | L | 47.9 | Very low | 39.6 | Very low | 179 Ų | 179 | 140.4 Ų | 140.4 | 94% | 0.937 | 80% | 0.803 | S | S | * | * | trans | -178.3 | 116.2 | 150.6 | -103.6 | 156.3 | 0 | 0 | 0 | 111.2 | ||||
| 205 | G | 33 | Very low | 40.4 | Very low | 67 Ų | 67 | 135.4 Ų | 135.4 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 79.2 | 144.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 206 | L | 43.2 | Very low | 41.1 | Very low | 170 Ų | 170 | 138.6 Ų | 138.6 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | trans | 69.8 | 109 | 163.7 | -59.2 | 134.7 | 0 | 0 | 0 | 117.4 | C208 | L206-C208 PolarHBondContact O-N 3.44Š| ||
| 207 | P | 40.3 | Very low | 43 | Very low | 132 Ų | 132 | 135.5 Ų | 135.5 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | trans | -74.5 | 97.5 | 168.2 | 30.9 | -31.7 | 0 | 0 | 0 | 110.7 | ||||
| 208 | C | 34.8 | Very low | 44.9 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 72% | 0.723 | 75% | 0.752 | S | S | * | * | trans | 37.1 | 104 | 135.7 | -153.4 | 0 | 0 | 0 | 0 | 116.9 | L206 K210 | L206-C208 PolarHBondContact O-N 3.44Å; C208-K210 PolarHBondContact O-N 2.64Å; C208-K210 VanDerWaalsContact O-N 3.09Å | ||
| 209 | Q | 31.9 | Very low | 47.3 | Very low | 183 Ų | 183 | 128.6 Ų | 128.6 | 86% | 0.855 | 73% | 0.728 | S | S | * | * | trans | -42.7 | 116.5 | 142.1 | -111.8 | 175.2 | -20.2 | 0 | 0 | 108 | ||||
| 210 | K | 34.9 | Very low | 49.7 | Very low | 175 Ų | 175 | 122.7 Ų | 122.7 | 76% | 0.761 | 70% | 0.704 | S | S | * | * | trans | -102.5 | 105.2 | 171.4 | -171.8 | 169.2 | -175.1 | 176.3 | 0 | 107.7 | C208 L212 | C208-K210 PolarHBondContact O-N 2.64Å; C208-K210 VanDerWaalsContact O-N 3.09Å; K210-L212 PolarHBondContact O-N 3.45Å | ||
| 211 | D | 29.1 | Very low | 52 | Low | 142 Ų | 142 | 120.2 Ų | 120.2 | 76% | 0.759 | 68% | 0.683 | S | S | * | * | trans | -51.3 | 105.4 | 166.4 | -62.4 | -84.6 | 0 | 0 | 0 | 109.5 | ||||
| 212 | L | 41.1 | Very low | 54.6 | Low | 144 Ų | 144 | 113.3 Ų | 113.3 | 75% | 0.754 | 66% | 0.657 | S | S | * | * | trans | -108.9 | 84.5 | 160.7 | -143.3 | 78.5 | 0 | 0 | 0 | 106.2 | K210 G214 | K210-L212 PolarHBondContact O-N 3.45Å; L212-G214 PolarHBondContact O-N 3.14Å | ||
| 213 | V | 39.6 | Very low | 57.2 | Low | 128 Ų | 128 | 106.2 Ų | 106.2 | 78% | 0.776 | 62% | 0.619 | S | S | * | * | trans | -43.9 | 117.1 | 168.1 | 174.7 | 0 | 0 | 0 | 0 | 107.2 | V215 | V213-V215 PolarHBondContact O-N 2.62Š| ||
| 214 | G | 42.9 | Very low | 59.8 | Low | 63 Ų | 63 | 102.8 Ų | 102.8 | 65% | 0.649 | 60% | 0.597 | S | S | * | * | trans | -57.9 | 110.8 | -167.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L212 V216 | L212-G214 PolarHBondContact O-N 3.14Å; G214-V216 PolarHBondContact O-N 2.91Å | ||
| 215 | V | 57.3 | Low | 62.1 | Low | 101 Ų | 101 | 97.6 Ų | 97.6 | 61% | 0.612 | 58% | 0.575 | S | S | * | * | trans | -60.3 | 108.7 | 170.7 | 175.5 | 0 | 0 | 0 | 0 | 106.6 | V213 M217 | V213-V215 PolarHBondContact O-N 2.62Å; V215-M217 VanDerWaalsContact C-N 3.31Å; V215-M217 PolarHBondContact O-N 3.48Å | ||
| 216 | V | 55.1 | Low | 65.1 | Low | 140 Ų | 140 | 94.5 Ų | 94.5 | 85% | 0.848 | 54% | 0.543 | S | S | * | . | trans | -67.2 | 96.2 | 177.1 | 178.7 | 0 | 0 | 0 | 0 | 107.2 | G214 N218 | G214-V216 PolarHBondContact O-N 2.91Å; V216-N218 PolarHBondContact O-N 2.99Å | ||
| 217 | M | 78 | Confident | 67.5 | Low | 45 Ų | 45 | 89.1 Ų | 89.1 | 22% | 0.222 | 52% | 0.518 | C | S | . | . | trans | -60.2 | 116.1 | 177.8 | 179.6 | -179.5 | 70.3 | 0 | 0 | 109.5 | V215 P219 V243 Q247 I284 L286 | V215-M217 VanDerWaalsContact C-N 3.31Å; V215-M217 PolarHBondContact O-N 3.48Å; M217-P219 WeakPolarHBondContact O-CD 3.48Å; M217-V243 HydrophobicContact CE-CG1 4.36Å; M217-V243 HydrophobicContact CG-CG1 3.36Å; M217-V243 HydrophobicContact SD-CG1 3.33Å; M217-V243 WeakPolarHBondContact SD-CG1 3.13Å; M217-Q247 VanDerWaalsContact CE-OE1 3.28Å; M217-I284 VanDerWaalsContact CG-O 3.3Å; M217-I284 WeakPolarHBondContact CG-O 3.36Å; M217-I284 VanDerWaalsContact SD-O 3.38Å; M217-L286 HydrophobicContact CE-CD2 4.13Å; M217-L286 HydrophobicContact SD-CD1 4.43Å; M217-L286 HydrophobicContact SD-CD2 3.49Å; M217-L286 WeakPolarHBondContact SD-CD2 3.44Å; M217-L286 HydrophobicContact SD-CG 3.74Å | ||
| 218 | N | 87.8 | Confident | 70.1 | Confident | 83 Ų | 83 | 83.4 Ų | 83.4 | 44% | 0.444 | 48% | 0.483 | S | S | . | . | trans | -76.7 | 110.3 | 173 | -178.9 | -7 | 0 | 0 | 0 | 109 | V216 S220 E221 | V216-N218 PolarHBondContact O-N 2.99Å; N218-S220 PolarHBondContact O-N 3.06Å; N218-S220 WeakPolarHBondContact OD1-CB 3.19Å; N218-S220 PolarHBondContact OD1-N 3.17Å; N218-S220 VanDerWaalsContact OD1-N 3.07Å; N218-E221 HydrophobicContact CB-CB 4.14Å; N218-E221 WeakPolarHBondContact O-CB 3.31Å; N218-E221 PolarHBondContact O-N 3.43Å; N218-E221 VanDerWaalsContact O-N 3.17Å | ||
| 219 | P | 89.2 | Confident | 72.9 | Confident | 51 Ų | 51 | 84.3 Ų | 84.3 | 33% | 0.331 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -25 | -176.2 | 26.8 | -35.1 | 0 | 0 | 0 | 113 | M217 A244 | M217-P219 WeakPolarHBondContact O-CD 3.48Å; P219-A244 HydrophobicContact CB-CB 4Å; P219-A244 WeakPolarHBondContact O-CB 3.48Å; P219-A244 PolarHBondContact O-N 3.03Å |
| 220 | S | 90.7 | Very high | 75.7 | Confident | 52 Ų | 52 | 81.2 Ų | 81.2 | 36% | 0.364 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -8.9 | -178.3 | -59.1 | 0 | 0 | 0 | 0 | 113.6 | N218 | N218-S220 PolarHBondContact O-N 3.06Å; N218-S220 WeakPolarHBondContact OD1-CB 3.19Å; N218-S220 PolarHBondContact OD1-N 3.17Å; N218-S220 VanDerWaalsContact OD1-N 3.07Å |
| 221 | E | 93.7 | Very high | 78.2 | Confident | 97 Ų | 97 | 74.5 Ų | 74.5 | 45% | 0.453 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -64 | 143.1 | 178.6 | -171.9 | -175.2 | 153.4 | 0 | 0 | 111.2 | N218 F223 T242 V243 | N218-E221 HydrophobicContact CB-CB 4.14Å; N218-E221 WeakPolarHBondContact O-CB 3.31Å; N218-E221 PolarHBondContact O-N 3.43Å; N218-E221 VanDerWaalsContact O-N 3.17Å; E221-F223 PolarHBondContact O-N 3.09Å; E221-T242 CarbonylContact O-C 3.54Å; E221-T242 WeakPolarHBondContact O-CA 3.48Å; E221-T242 WeakPolarHBondContact O-CB 3.49Å; E221-V243 HydrophobicContact CB-CG2 4.02Å; E221-V243 PolarHBondContact O-N 2.84Å |
| 222 | V | 95.1 | Very high | 81.1 | Confident | 58 Ų | 58 | 73.8 Ų | 73.8 | 35% | 0.352 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 109.8 | 178.7 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | K240 V241 | V222-K240 HydrophobicContact CG1-CB 4.01Å; V222-K240 HydrophobicContact CG1-CG 4.18Å; V222-K240 HydrophobicContact CG2-CB 4.09Å; V222-K240 HydrophobicContact CG2-CD 3.99Å; V222-K240 HydrophobicContact CG2-CG 4.18Å; V222-V241 CarbonylContact C-O 3.59Å |
| 223 | F | 95.2 | Very high | 83.1 | Confident | 11 Ų | 11 | 75 Ų | 75 | 5% | 0.048 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | -39.3 | 177.6 | -178.1 | -111.3 | 0 | 0 | 0 | 112.7 | E221 V241 V243 V246 L265 L277 K280 L281 I284 | E221-F223 PolarHBondContact O-N 3.09Å; F223-V241 PolarHBondContact N-O 3.3Å; F223-V243 HydrophobicContact CB-CG2 4.24Å; F223-V246 HydrophobicContact CB-CG2 4.09Å; F223-V246 HydrophobicContact CD1-CG2 3.8Å; F223-V246 HydrophobicContact CE1-CG2 4.49Å; F223-V246 HydrophobicContact CG-CG2 4.06Å; F223-L265 HydrophobicContact CD1-CD1 3.96Å; F223-L265 HydrophobicContact CE1-CD1 3.68Å; F223-L277 HydrophobicContact CE1-CD1 4.23Å; F223-L277 HydrophobicContact CZ-CD1 4.15Å; F223-K280 HydrophobicContact CE1-CD 4.4Å; F223-K280 HydrophobicContact CE2-CB 4.36Å; F223-K280 HydrophobicContact CE2-CD 3.72Å; F223-K280 HydrophobicContact CE2-CG 3.72Å; F223-K280 HydrophobicContact CZ-CB 4.18Å; F223-K280 HydrophobicContact CZ-CD 3.64Å; F223-K280 HydrophobicContact CZ-CG 3.88Å; F223-K280 PolarHBondContact O-NZ 3.06Å; F223-L281 HydrophobicContact CE1-CD2 4.24Å; F223-L281 HydrophobicContact CE2-CD2 4.02Å; F223-L281 HydrophobicContact CZ-CD2 3.65Å; F223-L281 HydrophobicContact CZ-CG 4.26Å; F223-I284 HydrophobicContact CD2-CD1 3.5Å; F223-I284 VanDerWaalsContact CD2-CD1 3.5Å; F223-I284 HydrophobicContact CE2-CD1 3.65Å; F223-I284 HydrophobicContact CE2-CG1 4.34Å; F223-I284 HydrophobicContact CG-CD1 4.44Å |
| 224 | C | 95.9 | Very high | 85.3 | Confident | 31 Ų | 31 | 74 Ų | 74 | 21% | 0.209 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | 160.9 | 168.8 | 59.3 | 0 | 0 | 0 | 0 | 111 | V241 | C224-V241 PolarHBondContact N-O 3.29Å; C224-V241 WeakPolarHBondContact O-CB 3.39Å; C224-V241 PolarHBondContact O-N 3.43Å |
| 225 | S | 96.3 | Very high | 87.1 | Confident | 69 Ų | 69 | 74.6 Ų | 74.6 | 48% | 0.483 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 141 | 164.7 | -64.4 | 0 | 0 | 0 | 0 | 109.9 | Y239 | S225-Y239 CarbonylContact C-O 3.59Å; S225-Y239 VanDerWaalsContact CA-O 3.31Å; S225-Y239 WeakPolarHBondContact CA-O 3.47Å |
| 226 | V | 95.7 | Very high | 88.2 | Confident | 2 Ų | 2 | 73.1 Ų | 73.1 | 1% | 0.012 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 136.7 | -174.4 | -54.7 | 0 | 0 | 0 | 0 | 111.1 | K238 Y239 V241 L265 R266 V305 | V226-K238 CarbonylContact O-C 3.46Å; V226-K238 WeakPolarHBondContact O-CA 3.29Å; V226-Y239 PolarHBondContact N-O 3.47Å; V226-Y239 PolarHBondContact O-N 3.31Å; V226-V241 HydrophobicContact CG1-CG2 3.86Å; V226-V241 HydrophobicContact CG2-CG2 3.85Å; V226-L265 HydrophobicContact CG1-CD2 4.47Å; V226-R266 HydrophobicContact CB-CG 4.19Å; V226-R266 VanDerWaalsContact CG2-NE 3.32Å; V226-V305 HydrophobicContact CG2-CG1 4.04Å; V226-V305 HydrophobicContact CG2-CG2 3.85Å |
| 227 | P | 93.8 | Very high | 89.7 | Confident | 57 Ų | 57 | 68.8 Ų | 68.8 | 37% | 0.37 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 137.1 | 179.1 | 28.4 | -35.3 | 0 | 0 | 0 | 111.4 | T236 R266 | P227-T236 HydrophobicContact CB-CG2 4.04Å; P227-R266 WeakPolarHBondContact O-CD 3.33Å; P227-R266 PolarHBondContact O-NE 3.41Å; P227-R266 PolarHBondContact O-NH1 2.7Å |
| 228 | G | 93.8 | Very high | 90.4 | Very high | 12 Ų | 12 | 74.4 Ų | 74.4 | 12% | 0.124 | 42% | 0.42 | C | S | . | . | trans | -51.9 | 147.6 | 180 | 0 | 0 | 0 | 0 | 0 | 114.6 | S237 E308 | G228-S237 PolarHBondContact N-O 3.41Å; G228-E308 VanDerWaalsContact CA-OE1 3.28Å; G228-E308 WeakPolarHBondContact CA-OE1 3.4Å | ||
| 229 | R | 93.7 | Very high | 90.8 | Very high | 127 Ų | 127 | 72 Ų | 72 | 48% | 0.479 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -91.7 | -32.3 | 173.5 | -71.9 | -28.6 | -168.6 | -174.8 | 8.8 | 113.1 | E308 | R229-E308 PolarHBondContact N-OE1 2.87Š|
| 230 | L | 91.8 | Very high | 91.1 | Very high | 118 Ų | 118 | 76.7 Ų | 76.7 | 62% | 0.618 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -96.7 | 0.9 | 178.7 | -55.7 | -179.8 | 0 | 0 | 0 | 112.6 | L304 L312 | L230-L304 HydrophobicContact CD1-CD2 4.23Å; L230-L304 HydrophobicContact CG-CD2 4.37Å; L230-L312 HydrophobicContact CD1-CD1 4Å; L230-L312 HydrophobicContact CD1-CD2 3.96Å; L230-L312 HydrophobicContact CD1-CG 4.44Å |
| 231 | S | 87.4 | Confident | 91.4 | Very high | 33 Ų | 33 | 74.2 Ų | 74.2 | 23% | 0.231 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -78.7 | 136 | 176.8 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | S235 | S231-S235 WeakPolarHBondContact CB-O 3.41Š|
| 232 | L | 88.1 | Confident | 91.5 | Very high | 127 Ų | 127 | 70.3 Ų | 70.3 | 67% | 0.665 | 39% | 0.386 | S | S | * | . | trans | -64.3 | 150.8 | 164.6 | -63.1 | 177.9 | 0 | 0 | 0 | 110.2 | S234 S235 T236 | L232-S234 PolarHBondContact O-N 3.28Å; L232-S235 CarbonylContact O-C 3.26Å; L232-S235 VanDerWaalsContact O-C 3.26Å; L232-S235 WeakPolarHBondContact O-CA 3.39Å; L232-S235 PolarHBondContact O-N 3.29Å; L232-T236 PolarHBondContact O-N 3.39Å | ||
| 233 | L | 84.2 | Confident | 91.5 | Very high | 171 Ų | 171 | 67.5 Ų | 67.5 | 90% | 0.895 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -54.9 | -40.2 | -178.9 | -67.2 | 173.6 | 0 | 0 | 0 | 112.6 | S235 T236 | L233-S235 PolarHBondContact O-N 3.2Å; L233-T236 PolarHBondContact O-OG1 3Å |
| 234 | S | 85.4 | Confident | 91.4 | Very high | 106 Ų | 106 | 67 Ų | 67 | 74% | 0.741 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -65.7 | -21.2 | 176 | 55.4 | 0 | 0 | 0 | 0 | 114.6 | L232 | L232-S234 PolarHBondContact O-N 3.28Š|
| 235 | S | 81.7 | Confident | 91.5 | Very high | 75 Ų | 75 | 65.7 Ų | 65.7 | 52% | 0.524 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -129.3 | 42.8 | -170.1 | -49.3 | 0 | 0 | 0 | 0 | 110.5 | S231 L232 L233 S237 | S231-S235 WeakPolarHBondContact CB-O 3.41Å; L232-S235 CarbonylContact O-C 3.26Å; L232-S235 VanDerWaalsContact O-C 3.26Å; L232-S235 WeakPolarHBondContact O-CA 3.39Å; L232-S235 PolarHBondContact O-N 3.29Å; L233-S235 PolarHBondContact O-N 3.2Å; S235-S237 PolarHBondContact O-N 2.93Å |
| 236 | T | 79.3 | Confident | 91.4 | Very high | 70 Ų | 70 | 62.4 Ų | 62.4 | 43% | 0.429 | 34% | 0.335 | S | S | . | . | trans | -72.2 | 97 | -174.9 | -61.5 | 0 | 0 | 0 | 0 | 111.5 | P227 L232 L233 | P227-T236 HydrophobicContact CB-CG2 4.04Å; L232-T236 PolarHBondContact O-N 3.39Å; L233-T236 PolarHBondContact O-OG1 3Å | ||
| 237 | S | 86.4 | Confident | 91.4 | Very high | 49 Ų | 49 | 66.3 Ų | 66.3 | 34% | 0.343 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 136.8 | 168.1 | -51.2 | 0 | 0 | 0 | 0 | 110.8 | G228 S235 | G228-S237 PolarHBondContact N-O 3.41Å; S235-S237 PolarHBondContact O-N 2.93Å |
| 238 | K | 93.2 | Very high | 91.4 | Very high | 163 Ų | 163 | 64.7 Ų | 64.7 | 71% | 0.709 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 120.9 | 168.4 | -68.5 | 179.6 | -177.4 | 174.2 | 0 | 109 | V226 | V226-K238 CarbonylContact O-C 3.46Å; V226-K238 WeakPolarHBondContact O-CA 3.29Å |
| 239 | Y | 95.4 | Very high | 91.5 | Very high | 32 Ų | 32 | 64.3 Ų | 64.3 | 13% | 0.125 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 129.1 | 179.6 | -65.8 | -88.9 | 0 | 0 | 0 | 110.5 | S225 V226 V305 G307 E308 H311 | S225-Y239 CarbonylContact C-O 3.59Å; S225-Y239 VanDerWaalsContact CA-O 3.31Å; S225-Y239 WeakPolarHBondContact CA-O 3.47Å; V226-Y239 PolarHBondContact N-O 3.47Å; V226-Y239 PolarHBondContact O-N 3.31Å; Y239-V305 HydrophobicContact CG-CG2 4.27Å; Y239-G307 VanDerWaalsContact CD1-C 3.43Å; Y239-G307 WeakPolarHBondContact CE1-O 3.45Å; Y239-E308 HydrophobicContact CD1-CG 4.01Å; Y239-E308 HydrophobicContact CD2-CG 3.5Å; Y239-E308 HydrophobicContact CE1-CG 3.96Å; Y239-E308 HydrophobicContact CE2-CG 3.46Å; Y239-E308 VanDerWaalsContact CE2-CG 3.46Å; Y239-E308 HydrophobicContact CG-CG 3.78Å; Y239-H311 HydrophobicContact CE1-CB 4.34Å; Y239-H311 AromaticContact CE1-ND1 4Å; Y239-H311 AromaticContact CZ-ND1 3.88Å; Y239-H311 PolarHBondContact OH-ND1 2.92Å |
| 240 | K | 95.9 | Very high | 91.5 | Very high | 150 Ų | 150 | 58.8 Ų | 58.8 | 65% | 0.652 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 123.1 | 173.8 | -68.4 | 174.6 | 176.3 | 179.4 | 0 | 108.9 | V222 | V222-K240 HydrophobicContact CG1-CB 4.01Å; V222-K240 HydrophobicContact CG1-CG 4.18Å; V222-K240 HydrophobicContact CG2-CB 4.09Å; V222-K240 HydrophobicContact CG2-CD 3.99Å; V222-K240 HydrophobicContact CG2-CG 4.18Å |
| 241 | V | 96.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 118.9 | 171.3 | 179.5 | 0 | 0 | 0 | 0 | 108 | V222 F223 C224 V226 E245 V246 L265 V305 | V222-V241 CarbonylContact C-O 3.59Å; F223-V241 PolarHBondContact N-O 3.3Å; C224-V241 PolarHBondContact N-O 3.29Å; C224-V241 WeakPolarHBondContact O-CB 3.39Å; C224-V241 PolarHBondContact O-N 3.43Å; V226-V241 HydrophobicContact CG1-CG2 3.86Å; V226-V241 HydrophobicContact CG2-CG2 3.85Å; V241-E245 HydrophobicContact CG1-CB 4.19Å; V241-E245 HydrophobicContact CG1-CG 4.09Å; V241-V246 HydrophobicContact CG1-CG2 3.83Å; V241-L265 HydrophobicContact CB-CD2 4.22Å; V241-L265 HydrophobicContact CG1-CD2 3.77Å; V241-L265 HydrophobicContact CG2-CD2 4.02Å; V241-V305 HydrophobicContact CG2-CB 4.06Å; V241-V305 HydrophobicContact CG2-CG1 3.56Å; V241-V305 HydrophobicContact CG2-CG2 4.38Å |
| 242 | T | 95.7 | Very high | 91.8 | Very high | 14 Ų | 14 | 58.3 Ų | 58.3 | 9% | 0.086 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 160.9 | -178.6 | 63.3 | 0 | 0 | 0 | 0 | 112.3 | E221 A244 E245 V246 | E221-T242 CarbonylContact O-C 3.54Å; E221-T242 WeakPolarHBondContact O-CA 3.48Å; E221-T242 WeakPolarHBondContact O-CB 3.49Å; T242-A244 PolarHBondContact O-N 3.37Å; T242-E245 PolarHBondContact O-N 3.04Å; T242-E245 VanDerWaalsContact O-N 3.09Å; T242-E245 PolarHBondContact OG1-N 2.92Å; T242-V246 PolarHBondContact O-N 3.48Å; T242-V246 VanDerWaalsContact O-N 3.08Å |
| 243 | V | 95 | Very high | 92.1 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58 | -37.3 | 173.6 | 173 | 0 | 0 | 0 | 0 | 111.1 | M217 E221 F223 V246 Q247 I284 L286 | M217-V243 HydrophobicContact CE-CG1 4.36Å; M217-V243 HydrophobicContact CG-CG1 3.36Å; M217-V243 HydrophobicContact SD-CG1 3.33Å; M217-V243 WeakPolarHBondContact SD-CG1 3.13Å; E221-V243 HydrophobicContact CB-CG2 4.02Å; E221-V243 PolarHBondContact O-N 2.84Å; F223-V243 HydrophobicContact CB-CG2 4.24Å; V243-V246 PolarHBondContact O-N 3.39Å; V243-Q247 WeakPolarHBondContact O-CB 3.37Å; V243-Q247 PolarHBondContact O-N 3Å; V243-I284 HydrophobicContact CB-CD1 4.45Å; V243-I284 HydrophobicContact CG1-CD1 3.94Å; V243-I284 HydrophobicContact CG2-CD1 3.85Å; V243-L286 HydrophobicContact CG1-CD1 4.25Å |
| 244 | A | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.1 | -43.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | P219 T242 Q247 R248 | P219-A244 HydrophobicContact CB-CB 4Å; P219-A244 WeakPolarHBondContact O-CB 3.48Å; P219-A244 PolarHBondContact O-N 3.03Å; T242-A244 PolarHBondContact O-N 3.37Å; A244-Q247 PolarHBondContact O-N 3.19Å; A244-R248 WeakPolarHBondContact O-CG 3.42Å; A244-R248 PolarHBondContact O-N 3.34Å |
| 245 | E | 96.4 | Very high | 93 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.019 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.7 | -49.6 | 175.4 | 172.4 | 167.6 | -162.7 | 0 | 0 | 109.8 | V241 T242 Q247 R248 R249 V305 E306 | V241-E245 HydrophobicContact CG1-CB 4.19Å; V241-E245 HydrophobicContact CG1-CG 4.09Å; T242-E245 PolarHBondContact O-N 3.04Å; T242-E245 VanDerWaalsContact O-N 3.09Å; T242-E245 PolarHBondContact OG1-N 2.92Å; E245-Q247 VanDerWaalsContact C-N 3.26Å; E245-Q247 PolarHBondContact O-N 3.24Å; E245-R248 PolarHBondContact O-N 2.91Å; E245-R248 VanDerWaalsContact O-N 3.08Å; E245-R249 HydrophobicContact CG-CG 4.3Å; E245-R249 WeakPolarHBondContact O-CG 3.31Å; E245-R249 PolarHBondContact O-N 2.96Å; E245-R249 IonicContact OE1-CZ 3.97Å; E245-R249 IonicContact OE1-NE 2.7Å; E245-R249 PolarHBondContact OE1-NE 2.86Å; E245-R249 IonicContact OE1-NH2 3.31Å; E245-R249 PolarHBondContact OE1-NH2 2.86Å; E245-V305 VanDerWaalsContact OE1-CA 3.28Å; E245-V305 WeakPolarHBondContact OE1-CA 3.38Å; E245-V305 WeakPolarHBondContact OE1-CB 3.48Å; E245-E306 HydrophobicContact CG-CG 4.23Å; E245-E306 WeakPolarHBondContact CG-OE1 3.36Å; E245-E306 PolarHBondContact OE1-N 3.28Å |
| 246 | V | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.4 | -41.8 | 178.2 | -178 | 0 | 0 | 0 | 0 | 111.2 | F223 V241 T242 V243 R249 L250 L261 L281 L286 | F223-V246 HydrophobicContact CB-CG2 4.09Å; F223-V246 HydrophobicContact CD1-CG2 3.8Å; F223-V246 HydrophobicContact CE1-CG2 4.49Å; F223-V246 HydrophobicContact CG-CG2 4.06Å; V241-V246 HydrophobicContact CG1-CG2 3.83Å; T242-V246 PolarHBondContact O-N 3.48Å; T242-V246 VanDerWaalsContact O-N 3.08Å; V243-V246 PolarHBondContact O-N 3.39Å; V246-R249 PolarHBondContact O-N 2.97Å; V246-L250 HydrophobicContact CG1-CD1 4.23Å; V246-L250 VanDerWaalsContact O-CG 3.3Å; V246-L250 WeakPolarHBondContact O-CG 3.3Å; V246-L250 PolarHBondContact O-N 3.46Å; V246-L250 VanDerWaalsContact O-N 3.14Å; V246-L261 HydrophobicContact CG1-CD2 4.03Å; V246-L281 HydrophobicContact CG1-CD2 3.49Å; V246-L281 VanDerWaalsContact CG1-CD2 3.49Å; V246-L286 HydrophobicContact CB-CD1 3.99Å; V246-L286 HydrophobicContact CG1-CD1 3.69Å |
| 247 | Q | 94.3 | Very high | 94.2 | Very high | 83 Ų | 83 | 36.5 Ų | 36.5 | 39% | 0.388 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.4 | -47.9 | 175.3 | -169.5 | 178.9 | 17.7 | 0 | 0 | 111.7 | M217 V243 A244 E245 R249 L250 S251 L286 | M217-Q247 VanDerWaalsContact CE-OE1 3.28Å; V243-Q247 WeakPolarHBondContact O-CB 3.37Å; V243-Q247 PolarHBondContact O-N 3Å; A244-Q247 PolarHBondContact O-N 3.19Å; E245-Q247 VanDerWaalsContact C-N 3.26Å; E245-Q247 PolarHBondContact O-N 3.24Å; Q247-R249 VanDerWaalsContact C-N 3.34Å; Q247-R249 PolarHBondContact O-N 3.45Å; Q247-L250 PolarHBondContact O-N 2.85Å; Q247-L250 VanDerWaalsContact O-N 3.09Å; Q247-S251 PolarHBondContact O-N 2.98Å; Q247-S251 PolarHBondContact O-OG 3.35Å; Q247-L286 HydrophobicContact CB-CD1 4.33Å; Q247-L286 HydrophobicContact CB-CD2 3.98Å; Q247-L286 HydrophobicContact CG-CD2 3.89Å |
| 248 | R | 94.8 | Very high | 94.5 | Very high | 24 Ų | 24 | 35 Ų | 35 | 9% | 0.091 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.3 | -39.1 | 176.8 | -73.2 | -178.7 | -63.8 | -108.2 | -6.6 | 112.7 | A244 E245 L250 S251 E306 P371 G373 L394 | A244-R248 WeakPolarHBondContact O-CG 3.42Å; A244-R248 PolarHBondContact O-N 3.34Å; E245-R248 PolarHBondContact O-N 2.91Å; E245-R248 VanDerWaalsContact O-N 3.08Å; R248-L250 VanDerWaalsContact C-N 3.27Å; R248-L250 PolarHBondContact O-N 3.14Å; R248-S251 WeakPolarHBondContact CA-OG 3.27Å; R248-S251 PolarHBondContact O-OG 3.39Å; R248-E306 IonicContact CZ-OE1 2Å; R248-E306 IonicContact CZ-OE2 3.3Å; R248-E306 IonicContact NE-OE1 3.69Å; R248-E306 PolarHBondContact NE-OE1 2.82Å; R248-E306 IonicContact NE-OE2 2.74Å; R248-E306 IonicContact NH2-OE1 3.85Å; R248-E306 PolarHBondContact NH2-OE1 2.74Å; R248-E306 IonicContact NH2-OE2 3.32Å; R248-E306 PolarHBondContact NH2-OE2 3.34Å; R248-P371 WeakPolarHBondContact CD-O 3.34Å; R248-P371 VanDerWaalsContact CZ-O 3.26Å; R248-P371 PolarHBondContact NE-O 3.07Å; R248-P371 PolarHBondContact NH1-O 2.99Å; R248-G373 PolarHBondContact NH1-O 2.95Å; R248-G373 PolarHBondContact NH2-O 2.66Å; R248-L394 HydrophobicContact CB-CD2 4.24Å; R248-L394 HydrophobicContact CG-CD2 4.07Å |
| 249 | R | 95.1 | Very high | 94.3 | Very high | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.7 | -29.4 | 174.7 | -61.8 | -49.2 | 179.5 | 125.4 | 5.1 | 113.2 | E245 V246 Q247 E254 L256 L261 T302 L304 H397 | E245-R249 HydrophobicContact CG-CG 4.3Å; E245-R249 WeakPolarHBondContact O-CG 3.31Å; E245-R249 PolarHBondContact O-N 2.96Å; E245-R249 IonicContact OE1-CZ 3.97Å; E245-R249 IonicContact OE1-NE 2.7Å; E245-R249 PolarHBondContact OE1-NE 2.86Å; E245-R249 IonicContact OE1-NH2 3.31Å; E245-R249 PolarHBondContact OE1-NH2 2.86Å; V246-R249 PolarHBondContact O-N 2.97Å; Q247-R249 VanDerWaalsContact C-N 3.34Å; Q247-R249 PolarHBondContact O-N 3.45Å; R249-E254 WeakPolarHBondContact CD-OE2 3.45Å; R249-E254 IonicContact CZ-OE2 3.5Å; R249-E254 IonicContact NE-OE2 3.15Å; R249-E254 IonicContact NH1-OE2 2.64Å; R249-E254 PolarHBondContact NH1-OE2 2.75Å; R249-L256 HydrophobicContact CB-CD1 4.04Å; R249-L256 HydrophobicContact CB-CG 4.33Å; R249-L256 HydrophobicContact CG-CD1 4.37Å; R249-L256 WeakPolarHBondContact O-CB 3.19Å; R249-L256 WeakPolarHBondContact O-CG 3.38Å; R249-L256 PolarHBondContact O-N 2.81Å; R249-L261 HydrophobicContact CB-CD1 4.32Å; R249-T302 PolarHBondContact NH1-O 3.41Å; R249-L304 PolarHBondContact NH1-O 3.3Å; R249-L304 PolarHBondContact NH2-O 2.94Å; R249-H397 PolarHBondContact NH1-CD2 3.06Å; R249-H397 VanDerWaalsContact NH1-CD2 3.3Å; R249-H397 PolarHBondContact NH1-NE2 2.97Å; R249-H397 PolarHBondContact NH2-CD2 3Å; R249-H397 VanDerWaalsContact NH2-CD2 3.32Å |
| 250 | L | 94.2 | Very high | 94.2 | Very high | 10 Ų | 10 | 32.6 Ų | 32.6 | 5% | 0.052 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -89.7 | -20.7 | -177.4 | -68.1 | -174.6 | 0 | 0 | 0 | 113.9 | V246 Q247 R248 L256 L261 L281 L286 L288 R292 | V246-L250 HydrophobicContact CG1-CD1 4.23Å; V246-L250 VanDerWaalsContact O-CG 3.3Å; V246-L250 WeakPolarHBondContact O-CG 3.3Å; V246-L250 PolarHBondContact O-N 3.46Å; V246-L250 VanDerWaalsContact O-N 3.14Å; Q247-L250 PolarHBondContact O-N 2.85Å; Q247-L250 VanDerWaalsContact O-N 3.09Å; R248-L250 VanDerWaalsContact C-N 3.27Å; R248-L250 PolarHBondContact O-N 3.14Å; L250-L256 VanDerWaalsContact CD2-O 3.31Å; L250-L256 WeakPolarHBondContact CD2-O 3.36Å; L250-L261 HydrophobicContact CD1-CD2 4.45Å; L250-L261 HydrophobicContact CD2-CD2 3.77Å; L250-L261 HydrophobicContact CG-CD2 4.24Å; L250-L281 HydrophobicContact CD1-CD1 4.14Å; L250-L286 HydrophobicContact CD1-CB 4.44Å; L250-L288 HydrophobicContact CD1-CB 4.33Å; L250-L288 HydrophobicContact CD2-CD1 3.78Å; L250-L288 HydrophobicContact CD2-CD2 3.95Å; L250-L288 HydrophobicContact CD2-CG 4.31Å; L250-R292 PolarHBondContact O-NH1 3.11Å |
| 251 | S | 93 | Very high | 94.2 | Very high | 46 Ų | 46 | 25.5 Ų | 25.5 | 32% | 0.322 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -86.5 | 173.2 | 171.3 | 61.5 | 0 | 0 | 0 | 0 | 112.1 | Q247 R248 E254 C255 | Q247-S251 PolarHBondContact O-N 2.98Å; Q247-S251 PolarHBondContact O-OG 3.35Å; R248-S251 WeakPolarHBondContact CA-OG 3.27Å; R248-S251 PolarHBondContact O-OG 3.39Å; S251-E254 PolarHBondContact O-N 3.02Å; S251-C255 VanDerWaalsContact C-SG 3.57Å; S251-C255 WeakPolarHBondContact O-CA 3.45Å; S251-C255 PolarHBondContact O-N 3.01Å |
| 252 | P | 92.4 | Very high | 94.1 | Very high | 95 Ų | 95 | 26 Ų | 26 | 62% | 0.617 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 151 | 162.9 | -24.5 | 35.5 | 0 | 0 | 0 | 111.3 | C255 | P252-C255 VanDerWaalsContact N-SG 3.4Š|
| 253 | P | 94.2 | Very high | 94.1 | Very high | 19 Ų | 19 | 27.5 Ų | 27.5 | 12% | 0.123 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -82.2 | -20.1 | 4.2 | 32.4 | -35.8 | 0 | 0 | 0 | 114.9 | A295 L394 I395 | P253-A295 WeakPolarHBondContact O-CB 3.32Å; P253-L394 HydrophobicContact CG-CB 3.95Å; P253-I395 HydrophobicContact CB-CD1 4.13Å; P253-I395 HydrophobicContact CG-CB 4.46Å; P253-I395 HydrophobicContact CG-CD1 3.84Å |
| 254 | E | 93.9 | Very high | 94.1 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.019 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -44.1 | -171.6 | -68.9 | -163.9 | 103.1 | 0 | 0 | 113.8 | R249 S251 L256 A295 T302 I395 H397 | R249-E254 WeakPolarHBondContact CD-OE2 3.45Å; R249-E254 IonicContact CZ-OE2 3.5Å; R249-E254 IonicContact NE-OE2 3.15Å; R249-E254 IonicContact NH1-OE2 2.64Å; R249-E254 PolarHBondContact NH1-OE2 2.75Å; S251-E254 PolarHBondContact O-N 3.02Å; E254-L256 VanDerWaalsContact C-N 3.29Å; E254-L256 HydrophobicContact CB-CD2 3.87Å; E254-L256 HydrophobicContact CB-CG 3.94Å; E254-L256 PolarHBondContact O-N 2.97Å; E254-A295 PolarHBondContact O-N 2.78Å; E254-T302 WeakPolarHBondContact OE1-CG2 3.44Å; E254-T302 PolarHBondContact OE1-OG1 3.47Å; E254-I395 HydrophobicContact CG-CD1 3.7Å; E254-H397 IonicContact OE1-CE1 3.66Å; E254-H397 PolarHBondContact OE1-CE1 3.45Å; E254-H397 VanDerWaalsContact OE1-CE1 3.3Å; E254-H397 IonicContact OE1-NE2 2.83Å; E254-H397 PolarHBondContact OE1-NE2 2.9Å; E254-H397 IonicContact OE2-CD2 2.72Å; E254-H397 IonicContact OE2-NE2 3.76Å; E254-H397 PolarHBondContact OE2-NE2 3.3Å |
| 255 | C | 94.1 | Very high | 94.2 | Very high | 21 Ų | 21 | 28.2 Ų | 28.2 | 14% | 0.142 | 18% | 0.18 | C | C | . | . | trans | 48.7 | 46 | -173.2 | -66 | 0 | 0 | 0 | 0 | 112.9 | S251 P252 N257 A295 | S251-C255 VanDerWaalsContact C-SG 3.57Å; S251-C255 WeakPolarHBondContact O-CA 3.45Å; S251-C255 PolarHBondContact O-N 3.01Å; P252-C255 VanDerWaalsContact N-SG 3.4Å; C255-N257 PolarHBondContact O-N 3.22Å; C255-A295 HydrophobicContact CB-CB 3.71Å | ||
| 256 | L | 94.7 | Very high | 94.1 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | trans | -56.9 | 139.1 | -173.1 | -63.7 | -168.1 | 0 | 0 | 0 | 112.1 | R249 L250 E254 L260 L261 V264 T302 | R249-L256 HydrophobicContact CB-CD1 4.04Å; R249-L256 HydrophobicContact CB-CG 4.33Å; R249-L256 HydrophobicContact CG-CD1 4.37Å; R249-L256 WeakPolarHBondContact O-CB 3.19Å; R249-L256 WeakPolarHBondContact O-CG 3.38Å; R249-L256 PolarHBondContact O-N 2.81Å; L250-L256 VanDerWaalsContact CD2-O 3.31Å; L250-L256 WeakPolarHBondContact CD2-O 3.36Å; E254-L256 VanDerWaalsContact C-N 3.29Å; E254-L256 HydrophobicContact CB-CD2 3.87Å; E254-L256 HydrophobicContact CB-CG 3.94Å; E254-L256 PolarHBondContact O-N 2.97Å; L256-L260 HydrophobicContact CB-CB 4.34Å; L256-L260 HydrophobicContact CD2-CB 4.14Å; L256-L260 HydrophobicContact CD2-CD1 4.09Å; L256-L261 HydrophobicContact CB-CB 4.47Å; L256-V264 HydrophobicContact CD1-CG2 4.15Å; L256-T302 HydrophobicContact CD2-CG2 4.22Å | ||
| 257 | N | 92.3 | Very high | 94 | Very high | 44 Ų | 44 | 33.7 Ų | 33.7 | 24% | 0.235 | 20% | 0.201 | C | C | . | . | trans | -85 | 167.9 | 172.1 | 72.3 | 36.4 | 0 | 0 | 0 | 111.4 | C255 S259 L260 L261 R292 | C255-N257 PolarHBondContact O-N 3.22Å; N257-S259 PolarHBondContact O-N 3.12Å; N257-S259 WeakPolarHBondContact OD1-CA 3.44Å; N257-S259 WeakPolarHBondContact OD1-CB 3.4Å; N257-S259 PolarHBondContact OD1-N 3.49Å; N257-L260 PolarHBondContact O-N 3.06Å; N257-L260 VanDerWaalsContact O-N 3.16Å; N257-L260 PolarHBondContact OD1-N 3.44Å; N257-L261 WeakPolarHBondContact O-CB 3.36Å; N257-L261 PolarHBondContact O-N 3.26Å; N257-R292 VanDerWaalsContact CB-O 3.29Å; N257-R292 WeakPolarHBondContact CB-O 3.35Å | ||
| 258 | A | 92.2 | Very high | 93.7 | Very high | 17 Ų | 17 | 34.1 Ų | 34.1 | 14% | 0.14 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -22.8 | -177 | 0 | 0 | 0 | 0 | 0 | 115 | G262 L277 L288 | A258-G262 PolarHBondContact O-N 3.31Å; A258-G262 VanDerWaalsContact O-N 3.11Å; A258-L277 HydrophobicContact CB-CD2 4.11Å; A258-L288 HydrophobicContact CB-CD2 3.72Å; A258-L288 HydrophobicContact CB-CG 4.34Å |
| 259 | S | 90.3 | Very high | 93.4 | Very high | 99 Ų | 99 | 43.6 Ų | 43.6 | 69% | 0.692 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -47.5 | 176.6 | -166.3 | 0 | 0 | 0 | 0 | 111.2 | N257 G262 G263 | N257-S259 PolarHBondContact O-N 3.12Å; N257-S259 WeakPolarHBondContact OD1-CA 3.44Å; N257-S259 WeakPolarHBondContact OD1-CB 3.4Å; N257-S259 PolarHBondContact OD1-N 3.49Å; S259-G262 CarbonylContact O-C 3.57Å; S259-G262 VanDerWaalsContact O-CA 3.28Å; S259-G262 WeakPolarHBondContact O-CA 3.38Å; S259-G262 PolarHBondContact O-N 3.38Å; S259-G263 PolarHBondContact O-N 3.32Å |
| 260 | L | 93.7 | Very high | 93.1 | Very high | 47 Ų | 47 | 46.7 Ų | 46.7 | 25% | 0.246 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.2 | -48.1 | 177.5 | -68.8 | 170.8 | 0 | 0 | 0 | 111.3 | L256 N257 G262 G263 V264 K294 V298 | L256-L260 HydrophobicContact CB-CB 4.34Å; L256-L260 HydrophobicContact CD2-CB 4.14Å; L256-L260 HydrophobicContact CD2-CD1 4.09Å; N257-L260 PolarHBondContact O-N 3.06Å; N257-L260 VanDerWaalsContact O-N 3.16Å; N257-L260 PolarHBondContact OD1-N 3.44Å; L260-G262 PolarHBondContact O-N 2.94Å; L260-G263 WeakPolarHBondContact O-CA 3.36Å; L260-G263 PolarHBondContact O-N 3.42Å; L260-V264 WeakPolarHBondContact O-CG2 3.33Å; L260-V264 PolarHBondContact O-N 2.85Å; L260-K294 HydrophobicContact CD1-CB 3.97Å; L260-K294 HydrophobicContact CD1-CD 3.73Å; L260-K294 HydrophobicContact CD1-CG 4.46Å; L260-V298 HydrophobicContact CD1-CG2 4.05Å; L260-V298 HydrophobicContact CD2-CG2 4.21Å |
| 261 | L | 95.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.7 | -25.4 | 171.5 | -174.7 | 62.6 | 0 | 0 | 0 | 111.7 | V246 R249 L250 L256 N257 L265 R267 L277 L281 L288 | V246-L261 HydrophobicContact CG1-CD2 4.03Å; R249-L261 HydrophobicContact CB-CD1 4.32Å; L250-L261 HydrophobicContact CD1-CD2 4.45Å; L250-L261 HydrophobicContact CD2-CD2 3.77Å; L250-L261 HydrophobicContact CG-CD2 4.24Å; L256-L261 HydrophobicContact CB-CB 4.47Å; N257-L261 WeakPolarHBondContact O-CB 3.36Å; N257-L261 PolarHBondContact O-N 3.26Å; L261-L265 HydrophobicContact CD1-CD1 3.86Å; L261-L265 HydrophobicContact CD1-CD2 4.4Å; L261-L265 HydrophobicContact CD1-CG 3.89Å; L261-L265 HydrophobicContact CG-CD1 3.93Å; L261-L265 HydrophobicContact CG-CG 4.27Å; L261-L265 VanDerWaalsContact O-CB 3.28Å; L261-L265 WeakPolarHBondContact O-CB 3.4Å; L261-L265 WeakPolarHBondContact O-CG 3.46Å; L261-L265 PolarHBondContact O-N 3.21Å; L261-R267 PolarHBondContact O-NH1 3Å; L261-L277 HydrophobicContact CB-CD2 4.3Å; L261-L277 HydrophobicContact CD2-CD2 4.03Å; L261-L277 HydrophobicContact CG-CD2 4.19Å; L261-L281 HydrophobicContact CD2-CD1 4.15Å; L261-L288 HydrophobicContact CD2-CD2 4.24Å |
| 262 | G | 94.7 | Very high | 92.8 | Very high | 10 Ų | 10 | 58.5 Ų | 58.5 | 10% | 0.103 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.9 | -46.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A258 S259 L260 L265 R266 R267 | A258-G262 PolarHBondContact O-N 3.31Å; A258-G262 VanDerWaalsContact O-N 3.11Å; S259-G262 CarbonylContact O-C 3.57Å; S259-G262 VanDerWaalsContact O-CA 3.28Å; S259-G262 WeakPolarHBondContact O-CA 3.38Å; S259-G262 PolarHBondContact O-N 3.38Å; L260-G262 PolarHBondContact O-N 2.94Å; G262-L265 CarbonylContact O-C 3.59Å; G262-R266 PolarHBondContact O-N 3.15Å; G262-R266 VanDerWaalsContact O-N 3.07Å; G262-R267 VanDerWaalsContact CA-NH2 3.32Å; G262-R267 PolarHBondContact O-N 3.35Å |
| 263 | G | 94.6 | Very high | 92.7 | Very high | 46 Ų | 46 | 54.6 Ų | 54.6 | 47% | 0.474 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.1 | -47.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S259 L260 L265 R266 | S259-G263 PolarHBondContact O-N 3.32Å; L260-G263 WeakPolarHBondContact O-CA 3.36Å; L260-G263 PolarHBondContact O-N 3.42Å; G263-L265 VanDerWaalsContact C-N 3.33Å; G263-L265 PolarHBondContact O-N 2.79Å; G263-R266 WeakPolarHBondContact O-CA 3.42Å; G263-R266 PolarHBondContact O-N 3Å |
| 264 | V | 96.3 | Very high | 92.6 | Very high | 7 Ų | 7 | 55.1 Ų | 55.1 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.1 | -42.9 | 178.2 | 178.3 | 0 | 0 | 0 | 0 | 111.3 | L256 L260 R266 T302 V305 | L256-V264 HydrophobicContact CD1-CG2 4.15Å; L260-V264 WeakPolarHBondContact O-CG2 3.33Å; L260-V264 PolarHBondContact O-N 2.85Å; V264-R266 VanDerWaalsContact O-CG 3.26Å; V264-R266 WeakPolarHBondContact O-CG 3.35Å; V264-R266 PolarHBondContact O-N 3.41Å; V264-R266 PolarHBondContact O-NE 3.31Å; V264-R266 VanDerWaalsContact O-NE 3.1Å; V264-T302 WeakPolarHBondContact CG2-O 3.43Å; V264-V305 HydrophobicContact CG1-CG1 3.77Å |
| 265 | L | 96.5 | Very high | 92.5 | Very high | 8 Ų | 8 | 62 Ų | 62 | 4% | 0.042 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 6.3 | 175.9 | -56.1 | -175.9 | 0 | 0 | 0 | 113.9 | F223 V226 V241 L261 G262 G263 R267 | F223-L265 HydrophobicContact CD1-CD1 3.96Å; F223-L265 HydrophobicContact CE1-CD1 3.68Å; V226-L265 HydrophobicContact CG1-CD2 4.47Å; V241-L265 HydrophobicContact CB-CD2 4.22Å; V241-L265 HydrophobicContact CG1-CD2 3.77Å; V241-L265 HydrophobicContact CG2-CD2 4.02Å; L261-L265 HydrophobicContact CD1-CD1 3.86Å; L261-L265 HydrophobicContact CD1-CD2 4.4Å; L261-L265 HydrophobicContact CD1-CG 3.89Å; L261-L265 HydrophobicContact CG-CD1 3.93Å; L261-L265 HydrophobicContact CG-CG 4.27Å; L261-L265 VanDerWaalsContact O-CB 3.28Å; L261-L265 WeakPolarHBondContact O-CB 3.4Å; L261-L265 WeakPolarHBondContact O-CG 3.46Å; L261-L265 PolarHBondContact O-N 3.21Å; G262-L265 CarbonylContact O-C 3.59Å; G263-L265 VanDerWaalsContact C-N 3.33Å; G263-L265 PolarHBondContact O-N 2.79Å; L265-R267 HydrophobicContact CB-CG 4.24Å; L265-R267 PolarHBondContact O-N 2.85Å |
| 266 | R | 95 | Very high | 92.5 | Very high | 31 Ų | 31 | 64.2 Ų | 64.2 | 12% | 0.117 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 21.4 | 165.1 | -39.2 | -179.1 | -158.8 | -144 | -18.4 | 113.6 | V226 P227 G262 G263 V264 E308 | V226-R266 HydrophobicContact CB-CG 4.19Å; V226-R266 VanDerWaalsContact CG2-NE 3.32Å; P227-R266 WeakPolarHBondContact O-CD 3.33Å; P227-R266 PolarHBondContact O-NE 3.41Å; P227-R266 PolarHBondContact O-NH1 2.7Å; G262-R266 PolarHBondContact O-N 3.15Å; G262-R266 VanDerWaalsContact O-N 3.07Å; G263-R266 WeakPolarHBondContact O-CA 3.42Å; G263-R266 PolarHBondContact O-N 3Å; V264-R266 VanDerWaalsContact O-CG 3.26Å; V264-R266 WeakPolarHBondContact O-CG 3.35Å; V264-R266 PolarHBondContact O-N 3.41Å; V264-R266 PolarHBondContact O-NE 3.31Å; V264-R266 VanDerWaalsContact O-NE 3.1Å; R266-E308 IonicContact CZ-OE1 3.82Å; R266-E308 IonicContact CZ-OE2 3.7Å; R266-E308 VanDerWaalsContact CZ-OE2 3.31Å; R266-E308 IonicContact NH1-OE1 3.85Å; R266-E308 PolarHBondContact NH1-OE1 2.96Å; R266-E308 IonicContact NH1-OE2 3.47Å; R266-E308 PolarHBondContact NH1-OE2 2.93Å; R266-E308 VanDerWaalsContact NH1-OE2 3.15Å; R266-E308 IonicContact NH2-OE1 3.52Å; R266-E308 IonicContact NH2-OE2 2.79Å; R266-E308 PolarHBondContact NH2-OE2 2.98Å |
| 267 | R | 92.7 | Very high | 92.4 | Very high | 89 Ų | 89 | 64.2 Ų | 64.2 | 34% | 0.336 | 36% | 0.36 | S | S | . | . | trans | -72.8 | 138.8 | -177.7 | -59.5 | -164.5 | -49.4 | -69.1 | -11.7 | 109.7 | L261 G262 L265 | L261-R267 PolarHBondContact O-NH1 3Å; G262-R267 VanDerWaalsContact CA-NH2 3.32Å; G262-R267 PolarHBondContact O-N 3.35Å; L265-R267 HydrophobicContact CB-CG 4.24Å; L265-R267 PolarHBondContact O-N 2.85Å | ||
| 268 | A | 88.7 | Confident | 92.5 | Very high | 92 Ų | 92 | 66 Ų | 66 | 76% | 0.76 | 36% | 0.363 | S | S | * | . | trans | -56.1 | 143.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S270 | A268-S270 PolarHBondContact O-N 3.25Å; A268-S270 VanDerWaalsContact O-N 3.13Å | ||
| 269 | K | 88.2 | Confident | 92.6 | Very high | 222 Ų | 222 | 70.1 Ų | 70.1 | 97% | 0.965 | 38% | 0.379 | S | S | * | . | trans | -73.9 | 104.3 | 178.2 | -174.8 | -179 | 179.9 | -177.5 | 0 | 109.6 | ||||
| 270 | S | 89.4 | Confident | 92.8 | Very high | 70 Ų | 70 | 70.1 Ų | 70.1 | 49% | 0.49 | 37% | 0.367 | S | S | . | . | trans | -116.2 | 152.5 | 174 | 68.9 | 0 | 0 | 0 | 0 | 111.7 | A268 N272 G273 | A268-S270 PolarHBondContact O-N 3.25Å; A268-S270 VanDerWaalsContact O-N 3.13Å; S270-N272 PolarHBondContact O-N 3Å; S270-N272 VanDerWaalsContact O-N 3.13Å; S270-G273 PolarHBondContact O-N 3.09Å; S270-G273 WeakPolarHBondContact OG-CA 3.33Å; S270-G273 PolarHBondContact OG-N 3.28Å; S270-G273 VanDerWaalsContact OG-N 3.1Å | ||
| 271 | K | 90.2 | Very high | 92.8 | Very high | 209 Ų | 209 | 67.9 Ų | 67.9 | 91% | 0.909 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -37.3 | -179.5 | -177.2 | 177.4 | 178 | 179.5 | 0 | 112.7 | ||
| 272 | N | 90.9 | Very high | 92.8 | Very high | 94 Ų | 94 | 73.5 Ų | 73.5 | 50% | 0.503 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 3.6 | -179.3 | -64 | -22.7 | 0 | 0 | 0 | 113.5 | S270 G274 R275 S276 | S270-N272 PolarHBondContact O-N 3Å; S270-N272 VanDerWaalsContact O-N 3.13Å; N272-G274 VanDerWaalsContact C-N 3.25Å; N272-G274 PolarHBondContact O-N 3.37Å; N272-G274 VanDerWaalsContact O-N 3.13Å; N272-R275 WeakPolarHBondContact O-CA 3.49Å; N272-R275 WeakPolarHBondContact O-CB 3.45Å; N272-R275 PolarHBondContact O-N 3.36Å; N272-S276 PolarHBondContact O-N 3.03Å |
| 273 | G | 90.2 | Very high | 92.7 | Very high | 14 Ų | 14 | 81 Ų | 81 | 14% | 0.144 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.6 | -27.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115 | S270 L277 | S270-G273 PolarHBondContact O-N 3.09Å; S270-G273 WeakPolarHBondContact OG-CA 3.33Å; S270-G273 PolarHBondContact OG-N 3.28Å; S270-G273 VanDerWaalsContact OG-N 3.1Å; G273-L277 WeakPolarHBondContact O-CB 3.34Å; G273-L277 PolarHBondContact O-N 3.36Å; G273-L277 VanDerWaalsContact O-N 3.12Å |
| 274 | G | 90.8 | Very high | 92.6 | Very high | 30 Ų | 30 | 79.9 Ų | 79.9 | 31% | 0.309 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -74.2 | -29.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | N272 R278 | N272-G274 VanDerWaalsContact C-N 3.25Å; N272-G274 PolarHBondContact O-N 3.37Å; N272-G274 VanDerWaalsContact O-N 3.13Å; G274-R278 WeakPolarHBondContact O-CG 3.38Å; G274-R278 PolarHBondContact O-N 2.9Å; G274-R278 PolarHBondContact O-NH1 2.7Å |
| 275 | R | 92.6 | Very high | 92.3 | Very high | 149 Ų | 149 | 82.1 Ų | 82.1 | 56% | 0.562 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -77 | -50.9 | 175.2 | -169 | -166.3 | -69.9 | -177.6 | -4.1 | 110.3 | N272 L277 R278 E279 | N272-R275 WeakPolarHBondContact O-CA 3.49Å; N272-R275 WeakPolarHBondContact O-CB 3.45Å; N272-R275 PolarHBondContact O-N 3.36Å; R275-L277 VanDerWaalsContact C-N 3.27Å; R275-L277 PolarHBondContact O-N 3.25Å; R275-R278 WeakPolarHBondContact O-CA 3.44Å; R275-R278 WeakPolarHBondContact O-CB 3.44Å; R275-R278 PolarHBondContact O-N 3.36Å; R275-E279 WeakPolarHBondContact CD-OE1 3.42Å; R275-E279 VanDerWaalsContact CG-OE1 3.22Å; R275-E279 WeakPolarHBondContact CG-OE1 3.47Å; R275-E279 WeakPolarHBondContact O-CG 3.47Å; R275-E279 PolarHBondContact O-N 3Å |
| 276 | S | 93.4 | Very high | 92.1 | Very high | 66 Ų | 66 | 82.3 Ų | 82.3 | 46% | 0.462 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -57.1 | -37.4 | 176.5 | 169.3 | 0 | 0 | 0 | 0 | 112.6 | N272 E279 K280 | N272-S276 PolarHBondContact O-N 3.03Å; S276-E279 PolarHBondContact O-N 3.45Å; S276-K280 WeakPolarHBondContact O-CB 3.49Å; S276-K280 PolarHBondContact O-N 2.91Å |
| 277 | L | 93.9 | Very high | 91.9 | Very high | 3 Ų | 3 | 86.6 Ų | 86.6 | 2% | 0.016 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -60.8 | -49.4 | 170.9 | 174.9 | 61.4 | 0 | 0 | 0 | 111.8 | F223 A258 L261 G273 R275 E279 K280 L281 L288 | F223-L277 HydrophobicContact CE1-CD1 4.23Å; F223-L277 HydrophobicContact CZ-CD1 4.15Å; A258-L277 HydrophobicContact CB-CD2 4.11Å; L261-L277 HydrophobicContact CB-CD2 4.3Å; L261-L277 HydrophobicContact CD2-CD2 4.03Å; L261-L277 HydrophobicContact CG-CD2 4.19Å; G273-L277 WeakPolarHBondContact O-CB 3.34Å; G273-L277 PolarHBondContact O-N 3.36Å; G273-L277 VanDerWaalsContact O-N 3.12Å; R275-L277 VanDerWaalsContact C-N 3.27Å; R275-L277 PolarHBondContact O-N 3.25Å; L277-E279 VanDerWaalsContact C-N 3.31Å; L277-E279 PolarHBondContact O-N 3.26Å; L277-K280 PolarHBondContact O-N 3.46Å; L277-K280 VanDerWaalsContact O-N 3.13Å; L277-L281 HydrophobicContact CD1-CD1 3.88Å; L277-L281 HydrophobicContact CD1-CD2 4.29Å; L277-L281 HydrophobicContact CD1-CG 3.86Å; L277-L281 HydrophobicContact CD2-CD1 4.32Å; L277-L281 HydrophobicContact CG-CD1 3.79Å; L277-L281 HydrophobicContact CG-CG 4.22Å; L277-L281 VanDerWaalsContact O-CG 3.27Å; L277-L281 WeakPolarHBondContact O-CG 3.48Å; L277-L281 PolarHBondContact O-N 3.17Å; L277-L288 HydrophobicContact CD2-CD2 4.14Å |
| 278 | R | 94.1 | Very high | 91.8 | Very high | 83 Ų | 83 | 82.6 Ų | 82.6 | 31% | 0.313 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 179.7 | -72.5 | -174.8 | -64.4 | -91.8 | 4.2 | 111.5 | G274 R275 K280 L281 D282 L288 | G274-R278 WeakPolarHBondContact O-CG 3.38Å; G274-R278 PolarHBondContact O-N 2.9Å; G274-R278 PolarHBondContact O-NH1 2.7Å; R275-R278 WeakPolarHBondContact O-CA 3.44Å; R275-R278 WeakPolarHBondContact O-CB 3.44Å; R275-R278 PolarHBondContact O-N 3.36Å; R278-K280 VanDerWaalsContact C-N 3.32Å; R278-K280 PolarHBondContact O-N 3.23Å; R278-L281 PolarHBondContact O-N 3.22Å; R278-D282 WeakPolarHBondContact O-CB 3.41Å; R278-D282 PolarHBondContact O-N 2.94Å; R278-L288 WeakPolarHBondContact CD-O 3.18Å; R278-L288 HydrophobicContact CG-CB 4.28Å; R278-L288 HydrophobicContact CG-CG 4.43Å; R278-L288 WeakPolarHBondContact CG-O 3.43Å |
| 279 | E | 94.1 | Very high | 91.7 | Very high | 102 Ų | 102 | 80.7 Ų | 80.7 | 48% | 0.477 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.6 | -37 | 174.6 | -67.9 | 161.6 | -176.6 | 0 | 0 | 112.4 | R275 S276 L277 K283 | R275-E279 WeakPolarHBondContact CD-OE1 3.42Å; R275-E279 VanDerWaalsContact CG-OE1 3.22Å; R275-E279 WeakPolarHBondContact CG-OE1 3.47Å; R275-E279 WeakPolarHBondContact O-CG 3.47Å; R275-E279 PolarHBondContact O-N 3Å; S276-E279 PolarHBondContact O-N 3.45Å; L277-E279 VanDerWaalsContact C-N 3.31Å; L277-E279 PolarHBondContact O-N 3.26Å; E279-K283 WeakPolarHBondContact O-CG 3.45Å; E279-K283 PolarHBondContact O-N 2.96Å |
| 280 | K | 93.5 | Very high | 91.5 | Very high | 99 Ų | 99 | 73.8 Ų | 73.8 | 43% | 0.43 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -72.3 | -34.3 | 175.2 | -162.1 | -174 | 174.7 | -174 | 0 | 112.5 | F223 S276 L277 R278 | F223-K280 HydrophobicContact CE1-CD 4.4Å; F223-K280 HydrophobicContact CE2-CB 4.36Å; F223-K280 HydrophobicContact CE2-CD 3.72Å; F223-K280 HydrophobicContact CE2-CG 3.72Å; F223-K280 HydrophobicContact CZ-CB 4.18Å; F223-K280 HydrophobicContact CZ-CD 3.64Å; F223-K280 HydrophobicContact CZ-CG 3.88Å; F223-K280 PolarHBondContact O-NZ 3.06Å; S276-K280 WeakPolarHBondContact O-CB 3.49Å; S276-K280 PolarHBondContact O-N 2.91Å; L277-K280 PolarHBondContact O-N 3.46Å; L277-K280 VanDerWaalsContact O-N 3.13Å; R278-K280 VanDerWaalsContact C-N 3.32Å; R278-K280 PolarHBondContact O-N 3.23Å |
| 281 | L | 94.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -71.5 | -41.1 | 176 | -66.6 | 171.5 | 0 | 0 | 0 | 111.8 | F223 V246 L250 L261 L277 R278 K283 I284 G285 L286 L288 | F223-L281 HydrophobicContact CE1-CD2 4.24Å; F223-L281 HydrophobicContact CE2-CD2 4.02Å; F223-L281 HydrophobicContact CZ-CD2 3.65Å; F223-L281 HydrophobicContact CZ-CG 4.26Å; V246-L281 HydrophobicContact CG1-CD2 3.49Å; V246-L281 VanDerWaalsContact CG1-CD2 3.49Å; L250-L281 HydrophobicContact CD1-CD1 4.14Å; L261-L281 HydrophobicContact CD2-CD1 4.15Å; L277-L281 HydrophobicContact CD1-CD1 3.88Å; L277-L281 HydrophobicContact CD1-CD2 4.29Å; L277-L281 HydrophobicContact CD1-CG 3.86Å; L277-L281 HydrophobicContact CD2-CD1 4.32Å; L277-L281 HydrophobicContact CG-CD1 3.79Å; L277-L281 HydrophobicContact CG-CG 4.22Å; L277-L281 VanDerWaalsContact O-CG 3.27Å; L277-L281 WeakPolarHBondContact O-CG 3.48Å; L277-L281 PolarHBondContact O-N 3.17Å; R278-L281 PolarHBondContact O-N 3.22Å; L281-K283 VanDerWaalsContact C-N 3.29Å; L281-K283 PolarHBondContact O-N 3.4Å; L281-I284 HydrophobicContact CD2-CD1 4.37Å; L281-I284 CarbonylContact O-C 3.17Å; L281-I284 WeakPolarHBondContact O-CG1 3.37Å; L281-I284 PolarHBondContact O-N 3.4Å; L281-G285 PolarHBondContact O-N 2.86Å; L281-L286 CarbonylContact C-O 3.58Å; L281-L286 HydrophobicContact CB-CB 4.1Å; L281-L286 VanDerWaalsContact CB-O 3.23Å; L281-L286 WeakPolarHBondContact CB-O 3.4Å; L281-L286 HydrophobicContact CD2-CB 4.29Å; L281-L286 HydrophobicContact CD2-CD1 4.27Å; L281-L286 PolarHBondContact O-N 3.1Å; L281-L288 HydrophobicContact CD1-CB 3.72Å; L281-L288 HydrophobicContact CD1-CD2 3.59Å; L281-L288 HydrophobicContact CD1-CG 4.34Å |
| 282 | D | 93.6 | Very high | 90.9 | Very high | 120 Ų | 120 | 68.7 Ų | 68.7 | 64% | 0.642 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -59.5 | -40.1 | 178.4 | -165.3 | 57.1 | 0 | 0 | 0 | 111.6 | R278 I284 G285 L286 | R278-D282 WeakPolarHBondContact O-CB 3.41Å; R278-D282 PolarHBondContact O-N 2.94Å; D282-I284 PolarHBondContact O-N 3.41Å; D282-G285 PolarHBondContact O-N 2.84Å; D282-L286 PolarHBondContact N-O 3.45Å |
| 283 | K | 92.6 | Very high | 90.5 | Very high | 168 Ų | 168 | 75 Ų | 75 | 73% | 0.73 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -25.4 | 174.2 | -74.4 | 175.3 | -178.7 | -171.8 | 0 | 115 | E279 L281 | E279-K283 WeakPolarHBondContact O-CG 3.45Å; E279-K283 PolarHBondContact O-N 2.96Å; L281-K283 VanDerWaalsContact C-N 3.29Å; L281-K283 PolarHBondContact O-N 3.4Å |
| 284 | I | 92.2 | Very high | 90.2 | Very high | 22 Ų | 22 | 79 Ų | 79 | 11% | 0.113 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 13 | 176.9 | 61.7 | 162.6 | 0 | 0 | 0 | 112.4 | M217 F223 V243 L281 D282 L286 | M217-I284 VanDerWaalsContact CG-O 3.3Å; M217-I284 WeakPolarHBondContact CG-O 3.36Å; M217-I284 VanDerWaalsContact SD-O 3.38Å; F223-I284 HydrophobicContact CD2-CD1 3.5Å; F223-I284 VanDerWaalsContact CD2-CD1 3.5Å; F223-I284 HydrophobicContact CE2-CD1 3.65Å; F223-I284 HydrophobicContact CE2-CG1 4.34Å; F223-I284 HydrophobicContact CG-CD1 4.44Å; V243-I284 HydrophobicContact CB-CD1 4.45Å; V243-I284 HydrophobicContact CG1-CD1 3.94Å; V243-I284 HydrophobicContact CG2-CD1 3.85Å; L281-I284 HydrophobicContact CD2-CD1 4.37Å; L281-I284 CarbonylContact O-C 3.17Å; L281-I284 WeakPolarHBondContact O-CG1 3.37Å; L281-I284 PolarHBondContact O-N 3.4Å; D282-I284 PolarHBondContact O-N 3.41Å; I284-L286 HydrophobicContact CD1-CB 4.46Å; I284-L286 HydrophobicContact CD1-CD1 3.76Å; I284-L286 HydrophobicContact CD1-CG 4.06Å; I284-L286 HydrophobicContact CG1-CB 4.32Å; I284-L286 HydrophobicContact CG1-CD1 4.45Å; I284-L286 HydrophobicContact CG1-CG 4.22Å; I284-L286 PolarHBondContact O-N 2.96Å |
| 285 | G | 91.4 | Very high | 89.9 | Confident | 53 Ų | 53 | 81 Ų | 81 | 55% | 0.546 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 11.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | L281 D282 | L281-G285 PolarHBondContact O-N 2.86Å; D282-G285 PolarHBondContact O-N 2.84Å |
| 286 | L | 92.8 | Very high | 89.7 | Confident | 12 Ų | 12 | 75 Ų | 75 | 6% | 0.063 | 41% | 0.413 | C | S | . | . | trans | -98.4 | 117.4 | 177.7 | -68.5 | -173.2 | 0 | 0 | 0 | 112 | M217 V243 V246 Q247 L250 L281 D282 I284 | M217-L286 HydrophobicContact CE-CD2 4.13Å; M217-L286 HydrophobicContact SD-CD1 4.43Å; M217-L286 HydrophobicContact SD-CD2 3.49Å; M217-L286 WeakPolarHBondContact SD-CD2 3.44Å; M217-L286 HydrophobicContact SD-CG 3.74Å; V243-L286 HydrophobicContact CG1-CD1 4.25Å; V246-L286 HydrophobicContact CB-CD1 3.99Å; V246-L286 HydrophobicContact CG1-CD1 3.69Å; Q247-L286 HydrophobicContact CB-CD1 4.33Å; Q247-L286 HydrophobicContact CB-CD2 3.98Å; Q247-L286 HydrophobicContact CG-CD2 3.89Å; L250-L286 HydrophobicContact CD1-CB 4.44Å; L281-L286 CarbonylContact C-O 3.58Å; L281-L286 HydrophobicContact CB-CB 4.1Å; L281-L286 VanDerWaalsContact CB-O 3.23Å; L281-L286 WeakPolarHBondContact CB-O 3.4Å; L281-L286 HydrophobicContact CD2-CB 4.29Å; L281-L286 HydrophobicContact CD2-CD1 4.27Å; L281-L286 PolarHBondContact O-N 3.1Å; D282-L286 PolarHBondContact N-O 3.45Å; I284-L286 HydrophobicContact CD1-CB 4.46Å; I284-L286 HydrophobicContact CD1-CD1 3.76Å; I284-L286 HydrophobicContact CD1-CG 4.06Å; I284-L286 HydrophobicContact CG1-CB 4.32Å; I284-L286 HydrophobicContact CG1-CD1 4.45Å; I284-L286 HydrophobicContact CG1-CG 4.22Å; I284-L286 PolarHBondContact O-N 2.96Å | ||
| 287 | N | 90.3 | Very high | 89.5 | Confident | 121 Ų | 121 | 79.9 Ų | 79.9 | 65% | 0.647 | 43% | 0.428 | S | S | * | . | trans | -90.5 | 123.9 | 176.9 | -175.6 | 2.4 | 0 | 0 | 0 | 112.2 | ||||
| 288 | L | 90 | Very high | 89.5 | Confident | 5 Ų | 5 | 82.9 Ų | 82.9 | 3% | 0.026 | 45% | 0.447 | C | S | . | . | trans | -121.5 | 92 | 172.3 | 178.9 | 48.8 | 0 | 0 | 0 | 110.9 | L250 A258 L261 L277 R278 L281 | L250-L288 HydrophobicContact CD1-CB 4.33Å; L250-L288 HydrophobicContact CD2-CD1 3.78Å; L250-L288 HydrophobicContact CD2-CD2 3.95Å; L250-L288 HydrophobicContact CD2-CG 4.31Å; A258-L288 HydrophobicContact CB-CD2 3.72Å; A258-L288 HydrophobicContact CB-CG 4.34Å; L261-L288 HydrophobicContact CD2-CD2 4.24Å; L277-L288 HydrophobicContact CD2-CD2 4.14Å; R278-L288 WeakPolarHBondContact CD-O 3.18Å; R278-L288 HydrophobicContact CG-CB 4.28Å; R278-L288 HydrophobicContact CG-CG 4.43Å; R278-L288 WeakPolarHBondContact CG-O 3.43Å; L281-L288 HydrophobicContact CD1-CB 3.72Å; L281-L288 HydrophobicContact CD1-CD2 3.59Å; L281-L288 HydrophobicContact CD1-CG 4.34Å | ||
| 289 | P | 85.9 | Confident | 89.5 | Confident | 52 Ų | 52 | 82.2 Ų | 82.2 | 34% | 0.338 | 45% | 0.452 | S | S | . | . | trans | -65 | 144.3 | -176 | 24.1 | -32.5 | 0 | 0 | 0 | 112.4 | R292 | P289-R292 HydrophobicContact CG-CB 4.38Š| ||
| 290 | A | 85.7 | Confident | 89.6 | Confident | 77 Ų | 77 | 84.6 Ų | 84.6 | 64% | 0.636 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 147.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | R292 | A290-R292 PolarHBondContact O-N 3.03Š|
| 291 | G | 80.9 | Confident | 89.7 | Confident | 80 Ų | 80 | 82 Ų | 82 | 83% | 0.825 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | -5.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | R293 | G291-R293 PolarHBondContact O-N 2.88Š|
| 292 | R | 84.4 | Confident | 89.8 | Confident | 92 Ų | 92 | 82.2 Ų | 82.2 | 35% | 0.347 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -53.4 | 125.3 | 175.7 | 179.1 | 173.4 | -74.9 | -179 | 1.4 | 111.2 | L250 N257 P289 A290 | L250-R292 PolarHBondContact O-NH1 3.11Å; N257-R292 VanDerWaalsContact CB-O 3.29Å; N257-R292 WeakPolarHBondContact CB-O 3.35Å; P289-R292 HydrophobicContact CG-CB 4.38Å; A290-R292 PolarHBondContact O-N 3.03Å |
| 293 | R | 82.7 | Confident | 89.8 | Confident | 226 Ų | 226 | 79.1 Ų | 79.1 | 85% | 0.853 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -80.7 | 148.4 | 168.3 | -62 | -177.4 | -177.5 | -177.7 | 1.7 | 109.2 | G291 | G291-R293 PolarHBondContact O-N 2.88Š|
| 294 | K | 85.1 | Confident | 90.1 | Very high | 98 Ų | 98 | 71.4 Ų | 71.4 | 43% | 0.426 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 151.9 | 170.5 | 72.1 | -171.7 | -164.8 | -179.1 | 0 | 110 | L260 A296 V298 | L260-K294 HydrophobicContact CD1-CB 3.97Å; L260-K294 HydrophobicContact CD1-CD 3.73Å; L260-K294 HydrophobicContact CD1-CG 4.46Å; K294-A296 WeakPolarHBondContact CE-O 3.47Å; K294-V298 HydrophobicContact CD-CG2 3.77Å; K294-V298 VanDerWaalsContact NZ-CG2 3.34Å |
| 295 | A | 84.3 | Confident | 90.3 | Very high | 72 Ų | 72 | 70.4 Ų | 70.4 | 60% | 0.595 | 41% | 0.408 | S | S | * | . | trans | -96.3 | -41.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | P253 E254 C255 | P253-A295 WeakPolarHBondContact O-CB 3.32Å; E254-A295 PolarHBondContact O-N 2.78Å; C255-A295 HydrophobicContact CB-CB 3.71Å | ||
| 296 | A | 87.3 | Confident | 90.5 | Very high | 23 Ų | 23 | 68.4 Ų | 68.4 | 19% | 0.19 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -89.8 | 160.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | K294 I395 | K294-A296 WeakPolarHBondContact CE-O 3.47Å; A296-I395 HydrophobicContact CB-CD1 3.58Å |
| 297 | H | 90.8 | Very high | 90.6 | Very high | 169 Ų | 169 | 69.3 Ų | 69.3 | 78% | 0.782 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 135.7 | 161.5 | -70.3 | -96 | 0 | 0 | 0 | 109.6 | ||
| 298 | V | 92 | Very high | 90.9 | Very high | 66 Ų | 66 | 63.9 Ų | 63.9 | 40% | 0.4 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -87 | 122.4 | 177.3 | 170.7 | 0 | 0 | 0 | 0 | 107.5 | L260 K294 T302 | L260-V298 HydrophobicContact CD1-CG2 4.05Å; L260-V298 HydrophobicContact CD2-CG2 4.21Å; K294-V298 HydrophobicContact CD-CG2 3.77Å; K294-V298 VanDerWaalsContact NZ-CG2 3.34Å; V298-T302 HydrophobicContact CG1-CG2 4.05Å; V298-T302 HydrophobicContact CG2-CG2 4.38Å |
| 299 | T | 94.8 | Very high | 91.2 | Very high | 69 Ų | 69 | 63.7 Ų | 63.7 | 42% | 0.423 | 37% | 0.367 | S | S | . | . | trans | -110.2 | -179.5 | 176.8 | 69 | 0 | 0 | 0 | 0 | 109.9 | L301 T302 | T299-L301 VanDerWaalsContact C-N 3.25Å; T299-L301 PolarHBondContact O-N 3.03Å; T299-L301 PolarHBondContact OG1-N 3.43Å; T299-T302 PolarHBondContact N-OG1 3.43Å; T299-T302 WeakPolarHBondContact O-CB 3.46Å; T299-T302 PolarHBondContact O-N 3.11Å; T299-T302 PolarHBondContact OG1-N 2.95Å | ||
| 300 | L | 95.9 | Very high | 91.7 | Very high | 153 Ų | 153 | 63.1 Ų | 63.1 | 80% | 0.801 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -63.4 | -33.8 | 169.4 | -63.6 | 179 | 0 | 0 | 0 | 111.7 | T302 S303 | L300-T302 VanDerWaalsContact C-N 3.31Å; L300-T302 PolarHBondContact O-N 3.02Å; L300-S303 WeakPolarHBondContact O-CB 3.48Å; L300-S303 PolarHBondContact O-N 3.07Å; L300-S303 PolarHBondContact O-OG 3.33Å |
| 301 | L | 96.4 | Very high | 92.1 | Very high | 43 Ų | 43 | 62.4 Ų | 62.4 | 23% | 0.225 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -62.8 | -36.2 | 177.8 | -62.6 | 175.2 | 0 | 0 | 0 | 112 | T299 S303 L304 T396 H397 F399 | T299-L301 VanDerWaalsContact C-N 3.25Å; T299-L301 PolarHBondContact O-N 3.03Å; T299-L301 PolarHBondContact OG1-N 3.43Å; L301-S303 PolarHBondContact O-N 3.49Å; L301-L304 HydrophobicContact CD2-CD1 4.08Å; L301-L304 WeakPolarHBondContact O-CB 3.38Å; L301-L304 PolarHBondContact O-N 3.46Å; L301-T396 HydrophobicContact CD1-CG2 3.86Å; L301-H397 PolarHBondContact O-CE1 3.12Å; L301-H397 PolarHBondContact O-ND1 3.36Å; L301-F399 HydrophobicContact CD1-CD1 4.36Å; L301-F399 HydrophobicContact CD2-CD1 4.03Å; L301-F399 HydrophobicContact CD2-CG 4.4Å |
| 302 | T | 96 | Very high | 92.9 | Very high | 5 Ų | 5 | 61.2 Ų | 61.2 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -52.5 | -27.2 | 172.8 | -57.1 | 0 | 0 | 0 | 0 | 113.3 | R249 E254 L256 V264 V298 T299 L300 H397 | R249-T302 PolarHBondContact NH1-O 3.41Å; E254-T302 WeakPolarHBondContact OE1-CG2 3.44Å; E254-T302 PolarHBondContact OE1-OG1 3.47Å; L256-T302 HydrophobicContact CD2-CG2 4.22Å; V264-T302 WeakPolarHBondContact CG2-O 3.43Å; V298-T302 HydrophobicContact CG1-CG2 4.05Å; V298-T302 HydrophobicContact CG2-CG2 4.38Å; T299-T302 PolarHBondContact N-OG1 3.43Å; T299-T302 WeakPolarHBondContact O-CB 3.46Å; T299-T302 PolarHBondContact O-N 3.11Å; T299-T302 PolarHBondContact OG1-N 2.95Å; L300-T302 VanDerWaalsContact C-N 3.31Å; L300-T302 PolarHBondContact O-N 3.02Å; T302-H397 WeakPolarHBondContact CA-CE1 3.34Å; T302-H397 PolarHBondContact N-CE1 3.21Å |
| 303 | S | 95.5 | Very high | 93.5 | Very high | 55 Ų | 55 | 56.9 Ų | 56.9 | 39% | 0.385 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -78 | -19.3 | 179.6 | 76 | 0 | 0 | 0 | 0 | 114.6 | L300 L301 | L300-S303 WeakPolarHBondContact O-CB 3.48Å; L300-S303 PolarHBondContact O-N 3.07Å; L300-S303 PolarHBondContact O-OG 3.33Å; L301-S303 PolarHBondContact O-N 3.49Å |
| 304 | L | 96.9 | Very high | 94.2 | Very high | 7 Ų | 7 | 53.3 Ų | 53.3 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -80.4 | 147.9 | 178.1 | -57.2 | -179.1 | 0 | 0 | 0 | 110.3 | L230 R249 L301 E308 A309 L312 | L230-L304 HydrophobicContact CD1-CD2 4.23Å; L230-L304 HydrophobicContact CG-CD2 4.37Å; R249-L304 PolarHBondContact NH1-O 3.3Å; R249-L304 PolarHBondContact NH2-O 2.94Å; L301-L304 HydrophobicContact CD2-CD1 4.08Å; L301-L304 WeakPolarHBondContact O-CB 3.38Å; L301-L304 PolarHBondContact O-N 3.46Å; L304-E308 WeakPolarHBondContact CA-OE2 3.49Å; L304-E308 HydrophobicContact CB-CB 4.21Å; L304-E308 HydrophobicContact CD2-CB 4.21Å; L304-A309 HydrophobicContact CB-CB 4.35Å; L304-A309 HydrophobicContact CD1-CB 4.29Å; L304-L312 HydrophobicContact CD1-CD2 3.97Å |
| 305 | V | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | -86.9 | 159.2 | 160.4 | -67.5 | 0 | 0 | 0 | 0 | 110 | V226 Y239 V241 E245 V264 G307 E308 A309 | V226-V305 HydrophobicContact CG2-CG1 4.04Å; V226-V305 HydrophobicContact CG2-CG2 3.85Å; Y239-V305 HydrophobicContact CG-CG2 4.27Å; V241-V305 HydrophobicContact CG2-CB 4.06Å; V241-V305 HydrophobicContact CG2-CG1 3.56Å; V241-V305 HydrophobicContact CG2-CG2 4.38Å; E245-V305 VanDerWaalsContact OE1-CA 3.28Å; E245-V305 WeakPolarHBondContact OE1-CA 3.38Å; E245-V305 WeakPolarHBondContact OE1-CB 3.48Å; V264-V305 HydrophobicContact CG1-CG1 3.77Å; V305-G307 PolarHBondContact O-N 3.21Å; V305-G307 VanDerWaalsContact O-N 3.16Å; V305-E308 HydrophobicContact CG2-CB 4.43Å; V305-E308 HydrophobicContact CG2-CG 3.91Å; V305-E308 PolarHBondContact N-OE2 3.17Å; V305-E308 WeakPolarHBondContact O-CB 3.49Å; V305-E308 PolarHBondContact O-N 2.9Å; V305-A309 PolarHBondContact O-N 3.3Å | ||
| 306 | E | 96.5 | Very high | 95.4 | Very high | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.056 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -53.5 | -39.9 | -176.8 | -74.7 | 174.3 | -145.6 | 0 | 0 | 112.2 | E245 R248 E308 A309 V310 G373 H397 | E245-E306 HydrophobicContact CG-CG 4.23Å; E245-E306 WeakPolarHBondContact CG-OE1 3.36Å; E245-E306 PolarHBondContact OE1-N 3.28Å; R248-E306 IonicContact CZ-OE1 2Å; R248-E306 IonicContact CZ-OE2 3.3Å; R248-E306 IonicContact NE-OE1 3.69Å; R248-E306 PolarHBondContact NE-OE1 2.82Å; R248-E306 IonicContact NE-OE2 2.74Å; R248-E306 IonicContact NH2-OE1 3.85Å; R248-E306 PolarHBondContact NH2-OE1 2.74Å; R248-E306 IonicContact NH2-OE2 3.32Å; R248-E306 PolarHBondContact NH2-OE2 3.34Å; E306-E308 VanDerWaalsContact C-N 3.29Å; E306-E308 PolarHBondContact O-N 3.5Å; E306-A309 PolarHBondContact O-N 3.45Å; E306-V310 WeakPolarHBondContact O-CB 3.48Å; E306-V310 VanDerWaalsContact O-CG2 3.31Å; E306-V310 WeakPolarHBondContact O-CG2 3.31Å; E306-V310 PolarHBondContact O-N 3.09Å; E306-G373 WeakPolarHBondContact OE2-CA 3.33Å; E306-G373 PolarHBondContact OE2-N 2.89Å; E306-H397 HydrophobicContact CG-CB 3.98Å |
| 307 | G | 95.3 | Very high | 96 | Very high | 31 Ų | 31 | 53.6 Ų | 53.6 | 32% | 0.32 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.1 | -34.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y239 V305 H311 | Y239-G307 VanDerWaalsContact CD1-C 3.43Å; Y239-G307 WeakPolarHBondContact CE1-O 3.45Å; V305-G307 PolarHBondContact O-N 3.21Å; V305-G307 VanDerWaalsContact O-N 3.16Å; G307-H311 WeakPolarHBondContact O-CB 3.48Å; G307-H311 PolarHBondContact O-N 3.02Å |
| 308 | E | 96 | Very high | 96.3 | Very high | 7 Ų | 7 | 53 Ų | 53 | 3% | 0.033 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -77.5 | -41.4 | 174.8 | -69.9 | 174.8 | 125.7 | 0 | 0 | 112.1 | G228 R229 Y239 R266 L304 V305 E306 V310 H311 L312 | G228-E308 VanDerWaalsContact CA-OE1 3.28Å; G228-E308 WeakPolarHBondContact CA-OE1 3.4Å; R229-E308 PolarHBondContact N-OE1 2.87Å; Y239-E308 HydrophobicContact CD1-CG 4.01Å; Y239-E308 HydrophobicContact CD2-CG 3.5Å; Y239-E308 HydrophobicContact CE1-CG 3.96Å; Y239-E308 HydrophobicContact CE2-CG 3.46Å; Y239-E308 VanDerWaalsContact CE2-CG 3.46Å; Y239-E308 HydrophobicContact CG-CG 3.78Å; R266-E308 IonicContact CZ-OE1 3.82Å; R266-E308 IonicContact CZ-OE2 3.7Å; R266-E308 VanDerWaalsContact CZ-OE2 3.31Å; R266-E308 IonicContact NH1-OE1 3.85Å; R266-E308 PolarHBondContact NH1-OE1 2.96Å; R266-E308 IonicContact NH1-OE2 3.47Å; R266-E308 PolarHBondContact NH1-OE2 2.93Å; R266-E308 VanDerWaalsContact NH1-OE2 3.15Å; R266-E308 IonicContact NH2-OE1 3.52Å; R266-E308 IonicContact NH2-OE2 2.79Å; R266-E308 PolarHBondContact NH2-OE2 2.98Å; L304-E308 WeakPolarHBondContact CA-OE2 3.49Å; L304-E308 HydrophobicContact CB-CB 4.21Å; L304-E308 HydrophobicContact CD2-CB 4.21Å; V305-E308 HydrophobicContact CG2-CB 4.43Å; V305-E308 HydrophobicContact CG2-CG 3.91Å; V305-E308 PolarHBondContact N-OE2 3.17Å; V305-E308 WeakPolarHBondContact O-CB 3.49Å; V305-E308 PolarHBondContact O-N 2.9Å; E306-E308 VanDerWaalsContact C-N 3.29Å; E306-E308 PolarHBondContact O-N 3.5Å; E308-V310 VanDerWaalsContact C-N 3.32Å; E308-V310 PolarHBondContact O-N 3.04Å; E308-H311 PolarHBondContact O-N 3.24Å; E308-L312 VanDerWaalsContact O-CB 3.29Å; E308-L312 WeakPolarHBondContact O-CB 3.41Å; E308-L312 PolarHBondContact O-N 3.33Å |
| 309 | A | 97 | Very high | 96.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.5 | -40.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L304 V305 E306 A313 H397 F399 | L304-A309 HydrophobicContact CB-CB 4.35Å; L304-A309 HydrophobicContact CD1-CB 4.29Å; V305-A309 PolarHBondContact O-N 3.3Å; E306-A309 PolarHBondContact O-N 3.45Å; A309-A313 WeakPolarHBondContact O-CB 3.32Å; A309-A313 PolarHBondContact O-N 3.46Å; A309-A313 VanDerWaalsContact O-N 3.09Å; A309-H397 HydrophobicContact CB-CB 3.75Å; A309-H397 VanDerWaalsContact CB-O 3.3Å; A309-H397 WeakPolarHBondContact CB-O 3.34Å; A309-F399 HydrophobicContact CB-CB 4.06Å |
| 310 | V | 94.9 | Very high | 96.8 | Very high | 41 Ų | 41 | 51 Ų | 51 | 25% | 0.248 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.9 | -38.6 | 172.8 | 173.4 | 0 | 0 | 0 | 0 | 111.9 | E306 E308 A313 R314 | E306-V310 WeakPolarHBondContact O-CB 3.48Å; E306-V310 VanDerWaalsContact O-CG2 3.31Å; E306-V310 WeakPolarHBondContact O-CG2 3.31Å; E306-V310 PolarHBondContact O-N 3.09Å; E308-V310 VanDerWaalsContact C-N 3.32Å; E308-V310 PolarHBondContact O-N 3.04Å; V310-A313 PolarHBondContact O-N 2.91Å; V310-R314 PolarHBondContact O-N 3.37Å |
| 311 | H | 95.4 | Very high | 96.9 | Very high | 61 Ų | 61 | 50.9 Ų | 50.9 | 28% | 0.282 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65 | -47.9 | 176.3 | -160.3 | 173.7 | 0 | 0 | 0 | 111.1 | Y239 G307 E308 A313 R314 D315 | Y239-H311 HydrophobicContact CE1-CB 4.34Å; Y239-H311 AromaticContact CE1-ND1 4Å; Y239-H311 AromaticContact CZ-ND1 3.88Å; Y239-H311 PolarHBondContact OH-ND1 2.92Å; G307-H311 WeakPolarHBondContact O-CB 3.48Å; G307-H311 PolarHBondContact O-N 3.02Å; E308-H311 PolarHBondContact O-N 3.24Å; H311-A313 VanDerWaalsContact C-N 3.28Å; H311-A313 PolarHBondContact O-N 3.28Å; H311-R314 WeakPolarHBondContact O-CA 3.5Å; H311-R314 WeakPolarHBondContact O-CB 3.45Å; H311-R314 PolarHBondContact O-N 2.97Å; H311-D315 IonicContact CD2-OD1 3.17Å; H311-D315 PolarHBondContact CD2-OD1 3.15Å; H311-D315 IonicContact CD2-OD2 2.81Å; H311-D315 IonicContact NE2-OD1 2.7Å; H311-D315 PolarHBondContact O-N 3.12Å |
| 312 | L | 97 | Very high | 96.9 | Very high | 55 Ų | 55 | 51.4 Ų | 51.4 | 29% | 0.288 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.3 | -37.6 | 176.5 | 179.7 | 64 | 0 | 0 | 0 | 112.5 | L230 L304 E308 R314 F316 F399 | L230-L312 HydrophobicContact CD1-CD1 4Å; L230-L312 HydrophobicContact CD1-CD2 3.96Å; L230-L312 HydrophobicContact CD1-CG 4.44Å; L304-L312 HydrophobicContact CD1-CD2 3.97Å; E308-L312 VanDerWaalsContact O-CB 3.29Å; E308-L312 WeakPolarHBondContact O-CB 3.41Å; E308-L312 PolarHBondContact O-N 3.33Å; L312-R314 VanDerWaalsContact C-N 3.32Å; L312-F316 VanDerWaalsContact O-CB 3.31Å; L312-F316 WeakPolarHBondContact O-CB 3.43Å; L312-F316 PolarHBondContact O-N 3.2Å; L312-F399 HydrophobicContact CB-CD2 4.32Å; L312-F399 HydrophobicContact CD2-CD2 4.11Å; L312-F399 HydrophobicContact CD2-CE2 3.99Å; L312-F399 HydrophobicContact CG-CD2 4.06Å; L312-F399 HydrophobicContact CG-CE2 3.82Å |
| 313 | A | 97.5 | Very high | 97 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.008 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.5 | -35.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | A309 V310 H311 A317 F399 Q402 | A309-A313 WeakPolarHBondContact O-CB 3.32Å; A309-A313 PolarHBondContact O-N 3.46Å; A309-A313 VanDerWaalsContact O-N 3.09Å; V310-A313 PolarHBondContact O-N 2.91Å; H311-A313 VanDerWaalsContact C-N 3.28Å; H311-A313 PolarHBondContact O-N 3.28Å; A313-A317 WeakPolarHBondContact O-CB 3.35Å; A313-A317 PolarHBondContact O-N 2.81Å; A313-F399 HydrophobicContact CB-CD2 3.75Å; A313-F399 HydrophobicContact CB-CE2 4.33Å; A313-Q402 HydrophobicContact CB-CB 3.64Å |
| 314 | R | 96.9 | Very high | 97.1 | Very high | 151 Ų | 151 | 59.3 Ų | 59.3 | 57% | 0.57 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -70.4 | -43.3 | 176.9 | -158.2 | -170.5 | -57.6 | 143.6 | -0.1 | 111.5 | V310 H311 L312 F316 A317 Y318 | V310-R314 PolarHBondContact O-N 3.37Å; H311-R314 WeakPolarHBondContact O-CA 3.5Å; H311-R314 WeakPolarHBondContact O-CB 3.45Å; H311-R314 PolarHBondContact O-N 2.97Å; L312-R314 VanDerWaalsContact C-N 3.32Å; R314-F316 VanDerWaalsContact C-N 3.33Å; R314-A317 PolarHBondContact O-N 2.92Å; R314-Y318 PolarHBondContact O-N 2.91Å |
| 315 | D | 97.1 | Very high | 97.2 | Very high | 81 Ų | 81 | 62.4 Ų | 62.4 | 43% | 0.433 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 174.7 | -64.3 | -9.4 | 0 | 0 | 0 | 111 | H311 Y318 V319 | H311-D315 IonicContact CD2-OD1 3.17Å; H311-D315 PolarHBondContact CD2-OD1 3.15Å; H311-D315 IonicContact CD2-OD2 2.81Å; H311-D315 IonicContact NE2-OD1 2.7Å; H311-D315 PolarHBondContact O-N 3.12Å; D315-Y318 PolarHBondContact O-N 3.42Å; D315-V319 WeakPolarHBondContact O-CG2 3.4Å; D315-V319 PolarHBondContact O-N 3.32Å |
| 316 | F | 98.3 | Very high | 97.2 | Very high | 83 Ų | 83 | 63.2 Ų | 63.2 | 36% | 0.364 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 174.4 | -178.2 | -105.3 | 0 | 0 | 0 | 112.1 | L312 R314 V319 C320 A403 A406 | L312-F316 VanDerWaalsContact O-CB 3.31Å; L312-F316 WeakPolarHBondContact O-CB 3.43Å; L312-F316 PolarHBondContact O-N 3.2Å; R314-F316 VanDerWaalsContact C-N 3.33Å; F316-V319 PolarHBondContact O-N 3.07Å; F316-C320 WeakPolarHBondContact O-CB 3.29Å; F316-C320 PolarHBondContact O-N 3.42Å; F316-C320 PolarHBondContact O-SG 3.1Å; F316-A403 HydrophobicContact CD1-CB 4.06Å; F316-A403 HydrophobicContact CE1-CB 4.27Å; F316-A406 HydrophobicContact CD1-CB 3.88Å; F316-A406 HydrophobicContact CE1-CB 4.05Å |
| 317 | A | 98.4 | Very high | 97.2 | Very high | 36 Ų | 36 | 68.3 Ų | 68.3 | 30% | 0.298 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61 | -44.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A313 R314 C320 E321 A406 | A313-A317 WeakPolarHBondContact O-CB 3.35Å; A313-A317 PolarHBondContact O-N 2.81Å; R314-A317 PolarHBondContact O-N 2.92Å; A317-C320 WeakPolarHBondContact O-CB 3.28Å; A317-C320 PolarHBondContact O-N 2.87Å; A317-E321 PolarHBondContact O-N 3.47Å; A317-A406 HydrophobicContact CB-CB 3.82Å |
| 318 | Y | 98.4 | Very high | 97.3 | Very high | 157 Ų | 157 | 69.8 Ų | 69.8 | 62% | 0.616 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -58.7 | -47.2 | 175.1 | 173.8 | -94 | 0 | 0 | 0 | 112 | R314 D315 C320 E321 A322 | R314-Y318 PolarHBondContact O-N 2.91Å; D315-Y318 PolarHBondContact O-N 3.42Å; Y318-C320 VanDerWaalsContact C-N 3.34Å; Y318-C320 PolarHBondContact O-N 3.45Å; Y318-E321 PolarHBondContact O-N 3.27Å; Y318-E321 VanDerWaalsContact O-N 3.14Å; Y318-A322 HydrophobicContact CE1-CB 4.25Å; Y318-A322 HydrophobicContact CE2-CB 4.49Å; Y318-A322 WeakPolarHBondContact O-CB 3.43Å; Y318-A322 PolarHBondContact O-N 3.12Å |
| 319 | V | 98.3 | Very high | 97.4 | Very high | 75 Ų | 75 | 71.4 Ų | 71.4 | 46% | 0.455 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65 | -37.5 | 177.3 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | D315 F316 E321 E323 | D315-V319 WeakPolarHBondContact O-CG2 3.4Å; D315-V319 PolarHBondContact O-N 3.32Å; F316-V319 PolarHBondContact O-N 3.07Å; V319-E321 VanDerWaalsContact C-N 3.27Å; V319-E321 PolarHBondContact O-N 2.98Å; V319-E323 HydrophobicContact CG1-CB 4.14Å; V319-E323 HydrophobicContact CG1-CG 4.16Å; V319-E323 WeakPolarHBondContact O-CB 3.4Å; V319-E323 PolarHBondContact O-N 3.31Å |
| 320 | C | 98.4 | Very high | 97.4 | Very high | 18 Ų | 18 | 71.4 Ų | 71.4 | 12% | 0.122 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.7 | -28.4 | 173.3 | -80 | 0 | 0 | 0 | 0 | 113.7 | F316 A317 Y318 F324 A410 | F316-C320 WeakPolarHBondContact O-CB 3.29Å; F316-C320 PolarHBondContact O-N 3.42Å; F316-C320 PolarHBondContact O-SG 3.1Å; A317-C320 WeakPolarHBondContact O-CB 3.28Å; A317-C320 PolarHBondContact O-N 2.87Å; Y318-C320 VanDerWaalsContact C-N 3.34Å; Y318-C320 PolarHBondContact O-N 3.45Å; C320-F324 WeakPolarHBondContact O-CB 3.31Å; C320-A410 HydrophobicContact CB-CB 4.35Å |
| 321 | E | 97 | Very high | 97.4 | Very high | 150 Ų | 150 | 73 Ų | 73 | 70% | 0.701 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -87 | -44.5 | 177.8 | -175.7 | 166.4 | -158.1 | 0 | 0 | 112.5 | A317 Y318 V319 | A317-E321 PolarHBondContact O-N 3.47Å; Y318-E321 PolarHBondContact O-N 3.27Å; Y318-E321 VanDerWaalsContact O-N 3.14Å; V319-E321 VanDerWaalsContact C-N 3.27Å; V319-E321 PolarHBondContact O-N 2.98Å |
| 322 | A | 97.6 | Very high | 97.5 | Very high | 54 Ų | 54 | 78.1 Ų | 78.1 | 45% | 0.446 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -81.1 | -40.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114 | Y318 | Y318-A322 HydrophobicContact CE1-CB 4.25Å; Y318-A322 HydrophobicContact CE2-CB 4.49Å; Y318-A322 WeakPolarHBondContact O-CB 3.43Å; Y318-A322 PolarHBondContact O-N 3.12Å |
| 323 | E | 97.7 | Very high | 97.4 | Very high | 139 Ų | 139 | 78.7 Ų | 78.7 | 65% | 0.65 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | -17.6 | -167.6 | -57.6 | -64.5 | 152.2 | 0 | 0 | 113.7 | V319 P325 | V319-E323 HydrophobicContact CG1-CB 4.14Å; V319-E323 HydrophobicContact CG1-CG 4.16Å; V319-E323 WeakPolarHBondContact O-CB 3.4Å; V319-E323 PolarHBondContact O-N 3.31Å; E323-P325 WeakPolarHBondContact O-CD 3.5Å |
| 324 | F | 97.8 | Very high | 97.1 | Very high | 86 Ų | 86 | 78.8 Ų | 78.8 | 38% | 0.377 | 40% | 0.397 | S | S | . | . | trans | -73.1 | 123.3 | -176.6 | -173 | -100.9 | 0 | 0 | 0 | 111.5 | C320 S326 A410 | C320-F324 WeakPolarHBondContact O-CB 3.31Å; F324-S326 WeakPolarHBondContact CD1-OG 3.36Å; F324-S326 PolarHBondContact O-N 2.89Å; F324-A410 HydrophobicContact CB-CB 4.44Å; F324-A410 HydrophobicContact CD1-CB 3.82Å; F324-A410 HydrophobicContact CE1-CB 4.24Å; F324-A410 HydrophobicContact CG-CB 4.05Å | ||
| 325 | P | 98 | Very high | 96.9 | Very high | 73 Ų | 73 | 79.1 Ų | 79.1 | 47% | 0.474 | 40% | 0.398 | S | S | . | . | trans | -81.5 | 53.2 | -168.4 | 34.3 | -38.1 | 0 | 0 | 0 | 113.4 | E323 K327 A328 V329 | E323-P325 WeakPolarHBondContact O-CD 3.5Å; P325-K327 PolarHBondContact O-N 2.9Å; P325-K327 VanDerWaalsContact O-N 3.09Å; P325-A328 HydrophobicContact CB-CB 4.33Å; P325-A328 PolarHBondContact O-N 2.82Å; P325-V329 HydrophobicContact CG-CG2 4.16Å; P325-V329 WeakPolarHBondContact O-CG2 3.42Å; P325-V329 PolarHBondContact O-N 3.48Å | ||
| 326 | S | 97.9 | Very high | 96.5 | Very high | 17 Ų | 17 | 79.9 Ų | 79.9 | 12% | 0.119 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -43.7 | -47 | -175.9 | -67.4 | 0 | 0 | 0 | 0 | 113.4 | F324 A330 N413 | F324-S326 WeakPolarHBondContact CD1-OG 3.36Å; F324-S326 PolarHBondContact O-N 2.89Å; S326-A330 VanDerWaalsContact O-CB 3.29Å; S326-A330 WeakPolarHBondContact O-CB 3.45Å; S326-A330 PolarHBondContact O-N 2.92Å; S326-N413 WeakPolarHBondContact OG-CB 3.23Å |
| 327 | K | 97.1 | Very high | 96.1 | Very high | 119 Ų | 119 | 78.4 Ų | 78.4 | 52% | 0.517 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.4 | -46.2 | -178.9 | -177.8 | 176.5 | 176 | -173.3 | 0 | 113.3 | P325 V329 A330 D331 E417 | P325-K327 PolarHBondContact O-N 2.9Å; P325-K327 VanDerWaalsContact O-N 3.09Å; K327-V329 VanDerWaalsContact C-N 3.3Å; K327-V329 PolarHBondContact O-N 3.33Å; K327-A330 WeakPolarHBondContact O-CB 3.41Å; K327-A330 PolarHBondContact O-N 3.22Å; K327-D331 PolarHBondContact O-N 3.16Å; K327-E417 HydrophobicContact CB-CG 4.02Å; K327-E417 WeakPolarHBondContact CG-OE2 3.29Å |
| 328 | A | 97.7 | Very high | 95.3 | Very high | 61 Ų | 61 | 80 Ų | 80 | 50% | 0.504 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.3 | -36.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | P325 Y332 | P325-A328 HydrophobicContact CB-CB 4.33Å; P325-A328 PolarHBondContact O-N 2.82Å; A328-Y332 WeakPolarHBondContact O-CB 3.28Å; A328-Y332 PolarHBondContact O-N 3.23Å |
| 329 | V | 97.9 | Very high | 94.2 | Very high | 42 Ų | 42 | 75.9 Ų | 75.9 | 26% | 0.255 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 172 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | P325 K327 Y332 L333 Y414 | P325-V329 HydrophobicContact CG-CG2 4.16Å; P325-V329 WeakPolarHBondContact O-CG2 3.42Å; P325-V329 PolarHBondContact O-N 3.48Å; K327-V329 VanDerWaalsContact C-N 3.3Å; K327-V329 PolarHBondContact O-N 3.33Å; V329-Y332 PolarHBondContact O-N 3.42Å; V329-L333 HydrophobicContact CG1-CD1 3.77Å; V329-L333 HydrophobicContact CG1-CG 4.44Å; V329-L333 WeakPolarHBondContact O-CB 2.99Å; V329-L333 WeakPolarHBondContact O-CG 3.33Å; V329-L333 PolarHBondContact O-N 3.07Å; V329-Y414 HydrophobicContact CB-CD2 4.32Å; V329-Y414 HydrophobicContact CG1-CD2 3.73Å; V329-Y414 HydrophobicContact CG1-CE2 4.12Å; V329-Y414 HydrophobicContact CG1-CG 4.25Å |
| 330 | A | 97.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.1 | -48.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S326 K327 Y332 L333 T334 Y414 E417 A418 | S326-A330 VanDerWaalsContact O-CB 3.29Å; S326-A330 WeakPolarHBondContact O-CB 3.45Å; S326-A330 PolarHBondContact O-N 2.92Å; K327-A330 WeakPolarHBondContact O-CB 3.41Å; K327-A330 PolarHBondContact O-N 3.22Å; A330-Y332 VanDerWaalsContact C-N 3.33Å; A330-Y332 PolarHBondContact O-N 3.49Å; A330-L333 PolarHBondContact O-N 3.01Å; A330-T334 WeakPolarHBondContact O-CB 3.35Å; A330-T334 PolarHBondContact O-N 3.27Å; A330-T334 PolarHBondContact O-OG1 2.83Å; A330-Y414 HydrophobicContact CB-CD2 3.98Å; A330-Y414 HydrophobicContact CB-CE2 4.41Å; A330-E417 HydrophobicContact CB-CB 3.56Å; A330-A418 HydrophobicContact CB-CB 3.97Å |
| 331 | D | 94.6 | Very high | 92.6 | Very high | 74 Ų | 74 | 82.1 Ų | 82.1 | 40% | 0.396 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61 | -40.7 | 177.8 | -73.5 | -27.4 | 0 | 0 | 0 | 111.6 | K327 R335 | K327-D331 PolarHBondContact O-N 3.16Å; D331-R335 WeakPolarHBondContact O-CB 3.2Å; D331-R335 PolarHBondContact O-N 3.36Å |
| 332 | Y | 96.1 | Very high | 92.2 | Very high | 168 Ų | 168 | 81.3 Ų | 81.3 | 66% | 0.659 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -66.4 | -49.1 | 177.2 | -178.3 | -98.5 | 0 | 0 | 0 | 112.4 | A328 V329 A330 | A328-Y332 WeakPolarHBondContact O-CB 3.28Å; A328-Y332 PolarHBondContact O-N 3.23Å; V329-Y332 PolarHBondContact O-N 3.42Å; A330-Y332 VanDerWaalsContact C-N 3.33Å; A330-Y332 PolarHBondContact O-N 3.49Å |
| 333 | L | 95.3 | Very high | 91.8 | Very high | 68 Ų | 68 | 83.5 Ų | 83.5 | 36% | 0.356 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -78.8 | -21.1 | -175.8 | -65.9 | 177 | 0 | 0 | 0 | 113.9 | V329 A330 H337 Y414 | V329-L333 HydrophobicContact CG1-CD1 3.77Å; V329-L333 HydrophobicContact CG1-CG 4.44Å; V329-L333 WeakPolarHBondContact O-CB 2.99Å; V329-L333 WeakPolarHBondContact O-CG 3.33Å; V329-L333 PolarHBondContact O-N 3.07Å; A330-L333 PolarHBondContact O-N 3.01Å; L333-H337 PolarHBondContact O-CE1 3.4Å; L333-H337 VanDerWaalsContact O-CE1 3.22Å; L333-H337 PolarHBondContact O-ND1 2.99Å; L333-H337 VanDerWaalsContact O-ND1 3.12Å; L333-Y414 HydrophobicContact CB-CE2 4.28Å; L333-Y414 HydrophobicContact CD1-CE2 3.74Å |
| 334 | T | 92.6 | Very high | 91.4 | Very high | 3 Ų | 3 | 77.2 Ų | 77.2 | 2% | 0.018 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -82.7 | -34.6 | 177.3 | -55.8 | 0 | 0 | 0 | 0 | 111.4 | A330 P336 H337 M344 A421 I422 | A330-T334 WeakPolarHBondContact O-CB 3.35Å; A330-T334 PolarHBondContact O-N 3.27Å; A330-T334 PolarHBondContact O-OG1 2.83Å; T334-P336 VanDerWaalsContact C-CD 3.43Å; T334-P336 VanDerWaalsContact O-N 3.17Å; T334-H337 WeakPolarHBondContact O-CB 3.31Å; T334-H337 PolarHBondContact O-N 3.02Å; T334-H337 PolarHBondContact O-ND1 3.43Å; T334-M344 HydrophobicContact CG2-CE 3.89Å; T334-A421 HydrophobicContact CG2-CB 4.35Å; T334-I422 HydrophobicContact CG2-CD1 4.41Å; T334-I422 HydrophobicContact CG2-CG1 3.75Å |
| 335 | R | 90.9 | Very high | 91.1 | Very high | 158 Ų | 158 | 75.3 Ų | 75.3 | 60% | 0.596 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -46 | -45.2 | -176 | -170.9 | -175.7 | -51.2 | -176.7 | 3.3 | 116.1 | D331 H337 L338 | D331-R335 WeakPolarHBondContact O-CB 3.2Å; D331-R335 PolarHBondContact O-N 3.36Å; R335-H337 PolarHBondContact O-N 3.43Å; R335-L338 PolarHBondContact O-N 3.26Å |
| 336 | P | 90.3 | Very high | 90.9 | Very high | 96 Ų | 96 | 75.9 Ų | 75.9 | 62% | 0.623 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -63.2 | -25.8 | -178.2 | -23.1 | 35.4 | 0 | 0 | 0 | 113.8 | T334 | T334-P336 VanDerWaalsContact C-CD 3.43Å; T334-P336 VanDerWaalsContact O-N 3.17Å |
| 337 | H | 89 | Confident | 90.8 | Very high | 52 Ų | 52 | 76.7 Ų | 76.7 | 24% | 0.241 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -88 | -5.7 | -174.3 | -51.5 | 88.4 | 0 | 0 | 0 | 112.8 | L333 T334 R335 G339 M344 R347 | L333-H337 PolarHBondContact O-CE1 3.4Å; L333-H337 VanDerWaalsContact O-CE1 3.22Å; L333-H337 PolarHBondContact O-ND1 2.99Å; L333-H337 VanDerWaalsContact O-ND1 3.12Å; T334-H337 WeakPolarHBondContact O-CB 3.31Å; T334-H337 PolarHBondContact O-N 3.02Å; T334-H337 PolarHBondContact O-ND1 3.43Å; R335-H337 PolarHBondContact O-N 3.43Å; H337-G339 PolarHBondContact O-N 3.22Å; H337-M344 HydrophobicContact CB-CE 3.43Å; H337-M344 VanDerWaalsContact CB-CE 3.43Å; H337-M344 VanDerWaalsContact O-CE 3.31Å; H337-M344 WeakPolarHBondContact O-CE 3.17Å; H337-M344 WeakPolarHBondContact O-CG 3.44Å; H337-R347 HydrophobicContact CB-CB 4.3Å; H337-R347 HydrophobicContact CB-CG 4.31Å |
| 338 | L | 81.8 | Confident | 90.7 | Very high | 69 Ų | 69 | 73.8 Ų | 73.8 | 36% | 0.361 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -70.8 | -12.9 | -176.3 | -68.4 | 171.5 | 0 | 0 | 0 | 113.2 | R335 G340 M344 | R335-L338 PolarHBondContact O-N 3.26Å; L338-G340 VanDerWaalsContact C-N 3.34Å; L338-G340 PolarHBondContact O-N 3.44Å; L338-M344 HydrophobicContact CD2-CE 3.82Å; L338-M344 HydrophobicContact CD2-SD 3.91Å; L338-M344 HydrophobicContact CG-CE 4.23Å |
| 339 | G | 76 | Confident | 90.7 | Very high | 72 Ų | 72 | 74.7 Ų | 74.7 | 74% | 0.742 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -76.4 | -11.3 | -176 | 0 | 0 | 0 | 0 | 0 | 115.5 | H337 | H337-G339 PolarHBondContact O-N 3.22Š|
| 340 | G | 80.6 | Confident | 90.6 | Very high | 23 Ų | 23 | 78.2 Ų | 78.2 | 24% | 0.237 | 41% | 0.41 | C | S | . | . | trans | -150 | 132.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L338 N342 E343 M344 | L338-G340 VanDerWaalsContact C-N 3.34Å; L338-G340 PolarHBondContact O-N 3.44Å; G340-N342 PolarHBondContact O-N 3.33Å; G340-E343 WeakPolarHBondContact O-CB 3.28Å; G340-E343 PolarHBondContact O-N 3.09Å; G340-M344 PolarHBondContact O-N 3.42Å | ||
| 341 | R | 82.6 | Confident | 90.6 | Very high | 201 Ų | 201 | 78.5 Ų | 78.5 | 76% | 0.758 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -56.2 | -35.8 | 177.5 | -173.1 | 175.2 | -177.6 | 160.2 | 2.6 | 113.1 | A345 Y426 | R341-A345 WeakPolarHBondContact O-CB 3.48Å; R341-A345 PolarHBondContact O-N 3.41Å; R341-Y426 HydrophobicContact CG-CE1 4.49Å |
| 342 | N | 86.9 | Confident | 90.8 | Very high | 132 Ų | 132 | 78.9 Ų | 78.9 | 71% | 0.706 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -73.9 | -32.6 | 177.3 | -67 | -18.3 | 0 | 0 | 0 | 112.5 | G340 T346 | G340-N342 PolarHBondContact O-N 3.33Å; N342-T346 WeakPolarHBondContact O-CB 3.43Å; N342-T346 PolarHBondContact O-N 3.15Å; N342-T346 PolarHBondContact O-OG1 2.71Å |
| 343 | E | 89.5 | Confident | 90.9 | Very high | 101 Ų | 101 | 73.6 Ų | 73.6 | 47% | 0.472 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -70.8 | -46.1 | 175.7 | -60.1 | 179 | 168.4 | 0 | 0 | 110 | G340 A345 T346 R347 | G340-E343 WeakPolarHBondContact O-CB 3.28Å; G340-E343 PolarHBondContact O-N 3.09Å; E343-A345 PolarHBondContact O-N 2.83Å; E343-T346 PolarHBondContact O-N 2.93Å; E343-R347 WeakPolarHBondContact O-CB 3.3Å; E343-R347 PolarHBondContact O-N 3.48Å |
| 344 | M | 90 | Very high | 91.1 | Very high | 6 Ų | 6 | 72.3 Ų | 72.3 | 3% | 0.03 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -53.6 | -48.5 | 169.6 | -83.2 | -74.3 | 103.9 | 0 | 0 | 112.7 | T334 H337 L338 G340 R347 K348 I422 | T334-M344 HydrophobicContact CG2-CE 3.89Å; H337-M344 HydrophobicContact CB-CE 3.43Å; H337-M344 VanDerWaalsContact CB-CE 3.43Å; H337-M344 VanDerWaalsContact O-CE 3.31Å; H337-M344 WeakPolarHBondContact O-CE 3.17Å; H337-M344 WeakPolarHBondContact O-CG 3.44Å; L338-M344 HydrophobicContact CD2-CE 3.82Å; L338-M344 HydrophobicContact CD2-SD 3.91Å; L338-M344 HydrophobicContact CG-CE 4.23Å; G340-M344 PolarHBondContact O-N 3.42Å; M344-R347 PolarHBondContact O-N 2.74Å; M344-K348 WeakPolarHBondContact O-CB 3.47Å; M344-K348 PolarHBondContact O-N 2.85Å; M344-I422 HydrophobicContact CE-CG1 4.05Å; M344-I422 HydrophobicContact SD-CB 4.23Å; M344-I422 HydrophobicContact SD-CG1 3.8Å; M344-I422 HydrophobicContact SD-CG2 3.95Å |
| 345 | A | 92.4 | Very high | 91.3 | Very high | 46 Ų | 46 | 74.8 Ų | 74.8 | 38% | 0.38 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R341 E343 R347 K348 S349 Y426 | R341-A345 WeakPolarHBondContact O-CB 3.48Å; R341-A345 PolarHBondContact O-N 3.41Å; E343-A345 PolarHBondContact O-N 2.83Å; A345-R347 VanDerWaalsContact C-N 3.35Å; A345-K348 PolarHBondContact O-N 3.46Å; A345-S349 PolarHBondContact O-N 2.64Å; A345-Y426 PolarHBondContact N-OH 3.25Å |
| 346 | T | 93.4 | Very high | 91.6 | Very high | 86 Ų | 86 | 71.8 Ų | 71.8 | 53% | 0.528 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 174.7 | -56.8 | 0 | 0 | 0 | 0 | 110.7 | N342 E343 K348 S349 M350 | N342-T346 WeakPolarHBondContact O-CB 3.43Å; N342-T346 PolarHBondContact O-N 3.15Å; N342-T346 PolarHBondContact O-OG1 2.71Å; E343-T346 PolarHBondContact O-N 2.93Å; T346-K348 PolarHBondContact O-N 2.82Å; T346-S349 WeakPolarHBondContact O-CB 3.48Å; T346-S349 PolarHBondContact O-N 2.72Å; T346-M350 HydrophobicContact CG2-SD 4.27Å; T346-M350 WeakPolarHBondContact O-CG 3.46Å; T346-M350 PolarHBondContact O-N 2.85Å |
| 347 | R | 94.8 | Very high | 92 | Very high | 33 Ų | 33 | 71.6 Ų | 71.6 | 13% | 0.125 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61 | -44.1 | 178.3 | -179.7 | 59.7 | 176.9 | -174.2 | 2.4 | 112 | H337 E343 M344 A345 M350 L351 Y414 I422 | H337-R347 HydrophobicContact CB-CB 4.3Å; H337-R347 HydrophobicContact CB-CG 4.31Å; E343-R347 WeakPolarHBondContact O-CB 3.3Å; E343-R347 PolarHBondContact O-N 3.48Å; M344-R347 PolarHBondContact O-N 2.74Å; A345-R347 VanDerWaalsContact C-N 3.35Å; R347-M350 PolarHBondContact O-N 2.86Å; R347-L351 HydrophobicContact CG-CD1 4.12Å; R347-L351 WeakPolarHBondContact O-CG 3.41Å; R347-L351 PolarHBondContact O-N 2.74Å; R347-Y414 PolarHBondContact NH2-OH 2.93Å; R347-I422 HydrophobicContact CB-CD1 4.48Å; R347-I422 HydrophobicContact CG-CD1 3.91Å |
| 348 | K | 95.6 | Very high | 92.5 | Very high | 58 Ų | 58 | 70.2 Ų | 70.2 | 25% | 0.252 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60 | -45 | 175.6 | -173.7 | 166.1 | -175.9 | 166.7 | 0 | 111.5 | M344 A345 T346 L351 L352 L419 I422 D423 | M344-K348 WeakPolarHBondContact O-CB 3.47Å; M344-K348 PolarHBondContact O-N 2.85Å; A345-K348 PolarHBondContact O-N 3.46Å; T346-K348 PolarHBondContact O-N 2.82Å; K348-L351 PolarHBondContact O-N 2.81Å; K348-L352 HydrophobicContact CG-CD1 4.13Å; K348-L352 WeakPolarHBondContact O-CG 3.44Å; K348-L352 PolarHBondContact O-N 2.93Å; K348-L419 HydrophobicContact CG-CD2 3.89Å; K348-I422 HydrophobicContact CB-CD1 4.33Å; K348-I422 HydrophobicContact CB-CG2 4.3Å; K348-I422 HydrophobicContact CD-CG2 4.2Å; K348-D423 VanDerWaalsContact NZ-CG 3.29Å; K348-D423 IonicContact NZ-OD1 2.74Å; K348-D423 PolarHBondContact NZ-OD1 3.29Å; K348-D423 IonicContact NZ-OD2 3.47Å; K348-D423 PolarHBondContact NZ-OD2 2.98Å; K348-D423 VanDerWaalsContact NZ-OD2 3.14Å |
| 349 | S | 96.5 | Very high | 93.2 | Very high | 80 Ų | 80 | 71.9 Ų | 71.9 | 56% | 0.559 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -59.5 | -47.5 | 176.3 | -172.7 | 0 | 0 | 0 | 0 | 112.2 | A345 T346 L351 L352 A353 | A345-S349 PolarHBondContact O-N 2.64Å; T346-S349 WeakPolarHBondContact O-CB 3.48Å; T346-S349 PolarHBondContact O-N 2.72Å; S349-L351 VanDerWaalsContact C-N 3.34Å; S349-L351 PolarHBondContact O-N 2.79Å; S349-L352 PolarHBondContact O-N 3.38Å; S349-A353 WeakPolarHBondContact O-CB 3.34Å; S349-A353 PolarHBondContact O-N 3.05Å |
| 350 | M | 96.9 | Very high | 94.3 | Very high | 117 Ų | 117 | 73.6 Ų | 73.6 | 58% | 0.576 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -60.8 | -40.2 | 176.7 | -67.7 | 173.9 | 72.5 | 0 | 0 | 112.9 | T346 R347 A354 | T346-M350 HydrophobicContact CG2-SD 4.27Å; T346-M350 WeakPolarHBondContact O-CG 3.46Å; T346-M350 PolarHBondContact O-N 2.85Å; R347-M350 PolarHBondContact O-N 2.86Å; M350-A354 WeakPolarHBondContact O-CB 3.16Å; M350-A354 PolarHBondContact O-N 2.77Å |
| 351 | L | 97.7 | Very high | 95.1 | Very high | 5 Ų | 5 | 76.9 Ų | 76.9 | 3% | 0.026 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66.4 | -43.6 | 178.4 | -75.1 | 168.5 | 0 | 0 | 0 | 112.1 | R347 K348 S349 A354 Q355 I415 A418 L419 I422 | R347-L351 HydrophobicContact CG-CD1 4.12Å; R347-L351 WeakPolarHBondContact O-CG 3.41Å; R347-L351 PolarHBondContact O-N 2.74Å; K348-L351 PolarHBondContact O-N 2.81Å; S349-L351 VanDerWaalsContact C-N 3.34Å; S349-L351 PolarHBondContact O-N 2.79Å; L351-A354 PolarHBondContact O-N 3.47Å; L351-Q355 WeakPolarHBondContact O-CB 3.18Å; L351-Q355 PolarHBondContact O-N 3.21Å; L351-I415 HydrophobicContact CB-CG2 4.17Å; L351-I415 HydrophobicContact CD2-CG1 4.13Å; L351-I415 HydrophobicContact CD2-CG2 4.24Å; L351-I415 WeakPolarHBondContact O-CG2 3.5Å; L351-A418 HydrophobicContact CD1-CB 3.74Å; L351-A418 HydrophobicContact CD2-CB 4.12Å; L351-L419 HydrophobicContact CB-CD2 3.88Å; L351-L419 HydrophobicContact CB-CG 4.27Å; L351-L419 HydrophobicContact CD1-CD2 4.28Å; L351-I422 HydrophobicContact CD1-CD1 3.52Å |
| 352 | L | 98.1 | Very high | 95.8 | Very high | 82 Ų | 82 | 67.8 Ų | 67.8 | 43% | 0.429 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 176.4 | -69.2 | 169.8 | 0 | 0 | 0 | 111.9 | K348 S349 Q355 Q356 L419 | K348-L352 HydrophobicContact CG-CD1 4.13Å; K348-L352 WeakPolarHBondContact O-CG 3.44Å; K348-L352 PolarHBondContact O-N 2.93Å; S349-L352 PolarHBondContact O-N 3.38Å; L352-Q355 WeakPolarHBondContact O-CB 3.11Å; L352-Q355 PolarHBondContact O-N 2.97Å; L352-Q356 PolarHBondContact O-N 2.75Å; L352-Q356 VanDerWaalsContact O-N 3.09Å; L352-L419 HydrophobicContact CD2-CD1 3.84Å; L352-L419 HydrophobicContact CD2-CD2 4.13Å; L352-L419 HydrophobicContact CG-CD2 4.09Å |
| 353 | A | 98.4 | Very high | 96.3 | Very high | 57 Ų | 57 | 64.7 Ų | 64.7 | 47% | 0.471 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S349 Q355 Q356 V357 | S349-A353 WeakPolarHBondContact O-CB 3.34Å; S349-A353 PolarHBondContact O-N 3.05Å; A353-Q355 VanDerWaalsContact C-N 3.34Å; A353-Q355 PolarHBondContact O-N 3.43Å; A353-Q356 PolarHBondContact O-N 2.84Å; A353-V357 WeakPolarHBondContact O-CG2 3.37Å; A353-V357 PolarHBondContact O-N 3.39Å; A353-V357 VanDerWaalsContact O-N 3.07Å |
| 354 | A | 98.4 | Very high | 96.7 | Very high | 41 Ų | 41 | 62.8 Ų | 62.8 | 34% | 0.339 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.8 | -38.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | M350 L351 Q356 V357 C358 I415 | M350-A354 WeakPolarHBondContact O-CB 3.16Å; M350-A354 PolarHBondContact O-N 2.77Å; L351-A354 PolarHBondContact O-N 3.47Å; A354-Q356 VanDerWaalsContact C-N 3.35Å; A354-Q356 PolarHBondContact O-N 3.17Å; A354-V357 PolarHBondContact O-N 2.93Å; A354-C358 WeakPolarHBondContact O-CB 3.5Å; A354-C358 PolarHBondContact O-N 2.9Å; A354-C358 PolarHBondContact O-SG 2.86Å; A354-I415 HydrophobicContact CB-CD1 3.94Å |
| 355 | Q | 97.8 | Very high | 97 | Very high | 56 Ų | 56 | 63.2 Ų | 63.2 | 26% | 0.262 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 176.4 | -164.5 | 175.8 | 31.9 | 0 | 0 | 111.7 | L351 L352 A353 C358 K359 I415 | L351-Q355 WeakPolarHBondContact O-CB 3.18Å; L351-Q355 PolarHBondContact O-N 3.21Å; L352-Q355 WeakPolarHBondContact O-CB 3.11Å; L352-Q355 PolarHBondContact O-N 2.97Å; A353-Q355 VanDerWaalsContact C-N 3.34Å; A353-Q355 PolarHBondContact O-N 3.43Å; Q355-C358 PolarHBondContact O-N 3.23Å; Q355-K359 PolarHBondContact O-N 2.82Å; Q355-I415 HydrophobicContact CB-CG2 3.99Å; Q355-I415 HydrophobicContact CG-CG2 4.33Å |
| 356 | Q | 98.1 | Very high | 97.1 | Very high | 95 Ų | 95 | 66.4 Ų | 66.4 | 44% | 0.444 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.5 | -46.5 | 179.1 | -179 | 58.5 | 24.6 | 0 | 0 | 111.7 | L352 A353 A354 C358 K359 E360 | L352-Q356 PolarHBondContact O-N 2.75Å; L352-Q356 VanDerWaalsContact O-N 3.09Å; A353-Q356 PolarHBondContact O-N 2.84Å; A354-Q356 VanDerWaalsContact C-N 3.35Å; A354-Q356 PolarHBondContact O-N 3.17Å; Q356-C358 VanDerWaalsContact C-N 3.33Å; Q356-C358 PolarHBondContact O-N 2.7Å; Q356-K359 WeakPolarHBondContact O-CB 3.22Å; Q356-K359 PolarHBondContact O-N 2.88Å; Q356-K359 VanDerWaalsContact O-N 3.11Å; Q356-E360 WeakPolarHBondContact CG-OE1 3.25Å; Q356-E360 PolarHBondContact NE2-OE1 3.07Å; Q356-E360 WeakPolarHBondContact O-CG 3.17Å; Q356-E360 PolarHBondContact O-N 3.22Å |
| 357 | V | 98.4 | Very high | 97.2 | Very high | 92 Ų | 92 | 66 Ų | 66 | 56% | 0.558 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.3 | -41.8 | 175.4 | 173 | 0 | 0 | 0 | 0 | 111.7 | A353 A354 K359 F361 | A353-V357 WeakPolarHBondContact O-CG2 3.37Å; A353-V357 PolarHBondContact O-N 3.39Å; A353-V357 VanDerWaalsContact O-N 3.07Å; A354-V357 PolarHBondContact O-N 2.93Å; V357-K359 VanDerWaalsContact C-N 3.31Å; V357-K359 PolarHBondContact O-N 2.77Å; V357-F361 WeakPolarHBondContact O-CB 3.38Å; V357-F361 PolarHBondContact O-N 3.3Å; V357-F361 VanDerWaalsContact O-N 3.1Å |
| 358 | C | 98.4 | Very high | 97.2 | Very high | 22 Ų | 22 | 65.7 Ų | 65.7 | 15% | 0.149 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.5 | -43.4 | 174.9 | -70 | 0 | 0 | 0 | 0 | 111.4 | A354 Q355 Q356 T362 V408 Q412 | A354-C358 WeakPolarHBondContact O-CB 3.5Å; A354-C358 PolarHBondContact O-N 2.9Å; A354-C358 PolarHBondContact O-SG 2.86Å; Q355-C358 PolarHBondContact O-N 3.23Å; Q356-C358 VanDerWaalsContact C-N 3.33Å; Q356-C358 PolarHBondContact O-N 2.7Å; C358-T362 PolarHBondContact O-N 3.39Å; C358-T362 PolarHBondContact O-OG1 3.38Å; C358-T362 VanDerWaalsContact O-OG1 3.11Å; C358-V408 HydrophobicContact CB-CG1 3.62Å; C358-Q412 HydrophobicContact CB-CG 3.7Å |
| 359 | K | 97.6 | Very high | 97.1 | Very high | 105 Ų | 105 | 66.1 Ų | 66.1 | 46% | 0.457 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.4 | -51.7 | 179.9 | -177.1 | -175.4 | 173.9 | -172.8 | 0 | 111.7 | Q355 Q356 V357 F361 T362 D363 | Q355-K359 PolarHBondContact O-N 2.82Å; Q356-K359 WeakPolarHBondContact O-CB 3.22Å; Q356-K359 PolarHBondContact O-N 2.88Å; Q356-K359 VanDerWaalsContact O-N 3.11Å; V357-K359 VanDerWaalsContact C-N 3.31Å; V357-K359 PolarHBondContact O-N 2.77Å; K359-F361 PolarHBondContact O-N 3.46Å; K359-T362 WeakPolarHBondContact CA-OG1 3.26Å; K359-T362 PolarHBondContact O-N 3.1Å; K359-T362 VanDerWaalsContact O-N 3.15Å; K359-T362 PolarHBondContact O-OG1 3.32Å; K359-D363 WeakPolarHBondContact CE-OD2 3.36Å; K359-D363 WeakPolarHBondContact CG-OD2 3.42Å; K359-D363 WeakPolarHBondContact O-CB 3.46Å; K359-D363 VanDerWaalsContact O-CG 3.22Å; K359-D363 PolarHBondContact O-N 3.46Å |
| 360 | E | 97.7 | Very high | 96.9 | Very high | 107 Ų | 107 | 62.9 Ų | 62.9 | 50% | 0.5 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -55.4 | -41.5 | 178.2 | -72.3 | 170.5 | -166.2 | 0 | 0 | 111.9 | Q356 D363 L364 | Q356-E360 WeakPolarHBondContact CG-OE1 3.25Å; Q356-E360 PolarHBondContact NE2-OE1 3.07Å; Q356-E360 WeakPolarHBondContact O-CG 3.17Å; Q356-E360 PolarHBondContact O-N 3.22Å; E360-D363 PolarHBondContact O-N 2.82Å; E360-L364 PolarHBondContact O-N 2.94Å; E360-L364 VanDerWaalsContact O-N 3.07Å |
| 361 | F | 98 | Very high | 96.3 | Very high | 93 Ų | 93 | 59.4 Ų | 59.4 | 41% | 0.408 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.6 | -43.5 | 177.3 | -177.1 | -123.5 | 0 | 0 | 0 | 112.8 | V357 K359 L364 L365 I404 V408 | V357-F361 WeakPolarHBondContact O-CB 3.38Å; V357-F361 PolarHBondContact O-N 3.3Å; V357-F361 VanDerWaalsContact O-N 3.1Å; K359-F361 PolarHBondContact O-N 3.46Å; F361-L364 PolarHBondContact O-N 3.17Å; F361-L365 HydrophobicContact CD1-CD1 4.49Å; F361-L365 HydrophobicContact CE1-CD1 4.06Å; F361-L365 HydrophobicContact CE2-CD1 4.48Å; F361-L365 HydrophobicContact CZ-CD1 4.05Å; F361-L365 WeakPolarHBondContact O-CG 3.45Å; F361-L365 PolarHBondContact O-N 2.91Å; F361-I404 HydrophobicContact CE1-CG2 3.55Å; F361-I404 HydrophobicContact CZ-CG2 4.05Å; F361-V408 HydrophobicContact CD1-CG2 4.21Å; F361-V408 HydrophobicContact CE1-CG2 4.37Å |
| 362 | T | 97.7 | Very high | 95.5 | Very high | 10 Ų | 10 | 60.8 Ų | 60.8 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.7 | -37 | 174.6 | 48.8 | 0 | 0 | 0 | 0 | 112.5 | C358 K359 L364 L365 H366 V408 | C358-T362 PolarHBondContact O-N 3.39Å; C358-T362 PolarHBondContact O-OG1 3.38Å; C358-T362 VanDerWaalsContact O-OG1 3.11Å; K359-T362 WeakPolarHBondContact CA-OG1 3.26Å; K359-T362 PolarHBondContact O-N 3.1Å; K359-T362 VanDerWaalsContact O-N 3.15Å; K359-T362 PolarHBondContact O-OG1 3.32Å; T362-L364 VanDerWaalsContact C-N 3.29Å; T362-L364 PolarHBondContact O-N 2.59Å; T362-L365 PolarHBondContact O-N 3.28Å; T362-L365 VanDerWaalsContact O-N 3.12Å; T362-H366 VanDerWaalsContact O-CG 3.31Å; T362-H366 PolarHBondContact O-N 2.81Å; T362-H366 PolarHBondContact O-ND1 3.33Å; T362-V408 HydrophobicContact CG2-CB 3.9Å; T362-V408 HydrophobicContact CG2-CG1 3.63Å |
| 363 | D | 97.1 | Very high | 94.6 | Very high | 67 Ų | 67 | 58.1 Ų | 58.1 | 36% | 0.358 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.6 | -34.1 | 178.7 | -71.1 | -11.1 | 0 | 0 | 0 | 111 | K359 E360 Q367 | K359-D363 WeakPolarHBondContact CE-OD2 3.36Å; K359-D363 WeakPolarHBondContact CG-OD2 3.42Å; K359-D363 WeakPolarHBondContact O-CB 3.46Å; K359-D363 VanDerWaalsContact O-CG 3.22Å; K359-D363 PolarHBondContact O-N 3.46Å; E360-D363 PolarHBondContact O-N 2.82Å; D363-Q367 WeakPolarHBondContact O-CG 3.39Å; D363-Q367 PolarHBondContact O-N 2.95Å; D363-Q367 PolarHBondContact O-NE2 2.6Å |
| 364 | L | 97.1 | Very high | 93.3 | Very high | 61 Ų | 61 | 59.2 Ų | 59.2 | 32% | 0.319 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 169.6 | 179.1 | 65.2 | 0 | 0 | 0 | 112.2 | E360 F361 T362 Q367 L381 I385 | E360-L364 PolarHBondContact O-N 2.94Å; E360-L364 VanDerWaalsContact O-N 3.07Å; F361-L364 PolarHBondContact O-N 3.17Å; T362-L364 VanDerWaalsContact C-N 3.29Å; T362-L364 PolarHBondContact O-N 2.59Å; L364-Q367 WeakPolarHBondContact O-CB 3.18Å; L364-Q367 PolarHBondContact O-N 3.48Å; L364-Q367 VanDerWaalsContact O-N 3.12Å; L364-L381 HydrophobicContact CD1-CD1 4Å; L364-L381 HydrophobicContact CD1-CD2 3.67Å; L364-I385 HydrophobicContact CD1-CG2 4.24Å |
| 365 | L | 96.9 | Very high | 92.2 | Very high | 14 Ų | 14 | 63 Ų | 63 | 7% | 0.073 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.5 | -36 | 179.3 | -66.4 | 176.9 | 0 | 0 | 0 | 112.4 | F361 T362 Q367 D368 L389 I404 | F361-L365 HydrophobicContact CD1-CD1 4.49Å; F361-L365 HydrophobicContact CE1-CD1 4.06Å; F361-L365 HydrophobicContact CE2-CD1 4.48Å; F361-L365 HydrophobicContact CZ-CD1 4.05Å; F361-L365 WeakPolarHBondContact O-CG 3.45Å; F361-L365 PolarHBondContact O-N 2.91Å; T362-L365 PolarHBondContact O-N 3.28Å; T362-L365 VanDerWaalsContact O-N 3.12Å; L365-Q367 PolarHBondContact O-N 2.92Å; L365-D368 VanDerWaalsContact O-CB 3.29Å; L365-D368 WeakPolarHBondContact O-CB 3.2Å; L365-D368 PolarHBondContact O-N 3.47Å; L365-D368 VanDerWaalsContact O-N 3.09Å; L365-L389 HydrophobicContact CD2-CD2 3.83Å; L365-I404 HydrophobicContact CD1-CB 4.12Å; L365-I404 HydrophobicContact CD1-CG2 3.58Å |
| 366 | H | 94.7 | Very high | 91.1 | Very high | 114 Ų | 114 | 66.1 Ų | 66.1 | 53% | 0.528 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.3 | -15.5 | 172.5 | -63 | 134.8 | 0 | 0 | 0 | 113.5 | T362 R369 | T362-H366 VanDerWaalsContact O-CG 3.31Å; T362-H366 PolarHBondContact O-N 2.81Å; T362-H366 PolarHBondContact O-ND1 3.33Å; H366-R369 PolarHBondContact O-NH1 3.35Å; H366-R369 PolarHBondContact O-NH2 3.2Å |
| 367 | Q | 94.6 | Very high | 90.3 | Very high | 77 Ų | 77 | 64.3 Ų | 64.3 | 36% | 0.36 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -0 | 170.5 | -73.5 | 170 | 81.7 | 0 | 0 | 113.5 | D363 L364 L365 R369 V380 L381 | D363-Q367 WeakPolarHBondContact O-CG 3.39Å; D363-Q367 PolarHBondContact O-N 2.95Å; D363-Q367 PolarHBondContact O-NE2 2.6Å; L364-Q367 WeakPolarHBondContact O-CB 3.18Å; L364-Q367 PolarHBondContact O-N 3.48Å; L364-Q367 VanDerWaalsContact O-N 3.12Å; L365-Q367 PolarHBondContact O-N 2.92Å; Q367-R369 WeakPolarHBondContact O-CG 3.28Å; Q367-R369 PolarHBondContact O-N 3.31Å; Q367-V380 HydrophobicContact CB-CG2 4.03Å; Q367-V380 HydrophobicContact CG-CG2 4.3Å; Q367-L381 HydrophobicContact CB-CD1 3.99Å; Q367-L381 HydrophobicContact CB-CD2 3.73Å; Q367-L381 HydrophobicContact CB-CG 3.9Å; Q367-L381 WeakPolarHBondContact O-CD1 3.01Å |
| 368 | D | 94.8 | Very high | 89.7 | Confident | 26 Ų | 26 | 63.9 Ų | 63.9 | 14% | 0.139 | 33% | 0.333 | C | S | . | . | trans | -60.4 | 128.4 | 170.7 | -175.8 | 11.5 | 0 | 0 | 0 | 110.5 | L365 T370 Q386 L389 S393 | L365-D368 VanDerWaalsContact O-CB 3.29Å; L365-D368 WeakPolarHBondContact O-CB 3.2Å; L365-D368 PolarHBondContact O-N 3.47Å; L365-D368 VanDerWaalsContact O-N 3.09Å; D368-T370 VanDerWaalsContact CG-OG1 3.29Å; D368-T370 WeakPolarHBondContact OD1-CB 2.98Å; D368-T370 PolarHBondContact OD1-N 3.1Å; D368-T370 PolarHBondContact OD1-OG1 3.38Å; D368-T370 PolarHBondContact OD2-OG1 3.06Å; D368-Q386 PolarHBondContact OD1-NE2 3.32Å; D368-L389 HydrophobicContact CB-CD1 4.24Å; D368-S393 PolarHBondContact OD2-OG 3.17Å | ||
| 369 | R | 93.4 | Very high | 89.2 | Confident | 67 Ų | 67 | 68.3 Ų | 68.3 | 25% | 0.253 | 35% | 0.352 | S | S | . | . | trans | -113.1 | 20.2 | 179.5 | -60.9 | -69.4 | 169.1 | -97.7 | 4.6 | 112.6 | H366 Q367 P371 P377 A378 Q379 V380 | H366-R369 PolarHBondContact O-NH1 3.35Å; H366-R369 PolarHBondContact O-NH2 3.2Å; Q367-R369 WeakPolarHBondContact O-CG 3.28Å; Q367-R369 PolarHBondContact O-N 3.31Å; R369-P371 WeakPolarHBondContact O-CD 3.41Å; R369-P377 HydrophobicContact CB-CG 3.99Å; R369-P377 HydrophobicContact CG-CG 4.41Å; R369-A378 WeakPolarHBondContact CD-O 3.45Å; R369-A378 WeakPolarHBondContact CG-O 3.33Å; R369-Q379 HydrophobicContact CB-CG 4.36Å; R369-V380 HydrophobicContact CG-CG2 4.03Å | ||
| 370 | T | 92.3 | Very high | 89 | Confident | 12 Ų | 12 | 67.4 Ų | 67.4 | 7% | 0.074 | 36% | 0.355 | C | S | . | . | trans | -56.3 | 127 | 177.5 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | D368 N372 Q386 S390 L394 | D368-T370 VanDerWaalsContact CG-OG1 3.29Å; D368-T370 WeakPolarHBondContact OD1-CB 2.98Å; D368-T370 PolarHBondContact OD1-N 3.1Å; D368-T370 PolarHBondContact OD1-OG1 3.38Å; D368-T370 PolarHBondContact OD2-OG1 3.06Å; T370-N372 PolarHBondContact O-N 2.98Å; T370-Q386 PolarHBondContact OG1-NE2 3.11Å; T370-S390 WeakPolarHBondContact OG1-CA 3.11Å; T370-S390 PolarHBondContact OG1-OG 3.44Å; T370-L394 HydrophobicContact CG2-CD2 4.37Å; T370-L394 HydrophobicContact CG2-CG 4.19Å | ||
| 371 | P | 85.4 | Confident | 88.8 | Confident | 45 Ų | 45 | 63.4 Ų | 63.4 | 29% | 0.292 | 34% | 0.337 | S | S | . | . | trans | -61 | 81.2 | 174.2 | -32.5 | 41.6 | 0 | 0 | 0 | 115.4 | R248 R369 | R248-P371 WeakPolarHBondContact CD-O 3.34Å; R248-P371 VanDerWaalsContact CZ-O 3.26Å; R248-P371 PolarHBondContact NE-O 3.07Å; R248-P371 PolarHBondContact NH1-O 2.99Å; R369-P371 WeakPolarHBondContact O-CD 3.41Å | ||
| 372 | N | 81 | Confident | 88.7 | Confident | 33 Ų | 33 | 65.7 Ų | 65.7 | 18% | 0.176 | 35% | 0.349 | C | S | . | . | trans | -101.1 | 144.1 | 171.2 | -67.4 | -12 | 0 | 0 | 0 | 111.1 | T370 N374 N375 S393 G398 | T370-N372 PolarHBondContact O-N 2.98Å; N372-N374 PolarHBondContact O-N 3Å; N372-N375 PolarHBondContact O-N 3.18Å; N372-S393 PolarHBondContact ND2-OG 3.44Å; N372-G398 WeakPolarHBondContact ND2-CA 3.4Å | ||
| 373 | G | 79.5 | Confident | 88.5 | Confident | 26 Ų | 26 | 68.7 Ų | 68.7 | 27% | 0.268 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | -133.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R248 E306 R376 | R248-G373 PolarHBondContact NH1-O 2.95Å; R248-G373 PolarHBondContact NH2-O 2.66Å; E306-G373 WeakPolarHBondContact OE2-CA 3.33Å; E306-G373 PolarHBondContact OE2-N 2.89Å; G373-R376 PolarHBondContact O-NH1 3.06Å |
| 374 | N | 71.2 | Confident | 88.5 | Confident | 81 Ų | 81 | 71.4 Ų | 71.4 | 43% | 0.433 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -5.7 | 179.3 | -66.4 | -1.4 | 0 | 0 | 0 | 113.3 | N372 | N372-N374 PolarHBondContact O-N 3Š|
| 375 | N | 73.7 | Confident | 88.5 | Confident | 121 Ų | 121 | 72.3 Ų | 72.3 | 65% | 0.647 | 39% | 0.387 | S | S | * | . | trans | -73.7 | 140.4 | -178.4 | -67.4 | -8.2 | 0 | 0 | 0 | 110.7 | N372 | N372-N375 PolarHBondContact O-N 3.18Š| ||
| 376 | R | 74.7 | Confident | 88.4 | Confident | 120 Ų | 120 | 71.6 Ų | 71.6 | 45% | 0.453 | 38% | 0.384 | S | S | . | . | trans | -139 | 60.8 | 177.6 | -68.7 | -64.5 | -175.7 | -73.4 | -3.5 | 110.6 | G373 | G373-R376 PolarHBondContact O-NH1 3.06Š| ||
| 377 | P | 81.8 | Confident | 88.5 | Confident | 58 Ų | 58 | 70.7 Ų | 70.7 | 38% | 0.377 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 151.2 | -175.3 | 36.1 | -36.8 | 0 | 0 | 0 | 110.7 | R369 | R369-P377 HydrophobicContact CB-CG 3.99Å; R369-P377 HydrophobicContact CG-CG 4.41Å |
| 378 | A | 85.9 | Confident | 88.6 | Confident | 82 Ų | 82 | 71.3 Ų | 71.3 | 68% | 0.678 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 139.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | R369 | R369-A378 WeakPolarHBondContact CD-O 3.45Å; R369-A378 WeakPolarHBondContact CG-O 3.33Å |
| 379 | Q | 88.2 | Confident | 88.7 | Confident | 116 Ų | 116 | 71 Ų | 71 | 54% | 0.542 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 132.3 | 178.6 | -65.6 | -178.6 | -21.2 | 0 | 0 | 110.5 | R369 Q386 | R369-Q379 HydrophobicContact CB-CG 4.36Å; Q379-Q386 HydrophobicContact CB-CG 4.46Å; Q379-Q386 HydrophobicContact CG-CG 3.97Å |
| 380 | V | 92.8 | Very high | 88.8 | Confident | 85 Ų | 85 | 68.6 Ų | 68.6 | 52% | 0.515 | 39% | 0.387 | S | S | . | . | trans | -116.2 | -14.7 | -179.9 | -58.5 | 0 | 0 | 0 | 0 | 113.2 | Q367 R369 | Q367-V380 HydrophobicContact CB-CG2 4.03Å; Q367-V380 HydrophobicContact CG-CG2 4.3Å; R369-V380 HydrophobicContact CG-CG2 4.03Å | ||
| 381 | L | 94.3 | Very high | 89 | Confident | 24 Ų | 24 | 73.2 Ų | 73.2 | 13% | 0.126 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -95.9 | 153.6 | 180 | -65.1 | 177.2 | 0 | 0 | 0 | 111 | L364 Q367 I385 Q386 L389 | L364-L381 HydrophobicContact CD1-CD1 4Å; L364-L381 HydrophobicContact CD1-CD2 3.67Å; Q367-L381 HydrophobicContact CB-CD1 3.99Å; Q367-L381 HydrophobicContact CB-CD2 3.73Å; Q367-L381 HydrophobicContact CB-CG 3.9Å; Q367-L381 WeakPolarHBondContact O-CD1 3.01Å; L381-I385 HydrophobicContact CD1-CG2 4.33Å; L381-Q386 HydrophobicContact CB-CB 4.24Å; L381-L389 HydrophobicContact CD1-CD1 3.51Å |
| 382 | E | 95.2 | Very high | 89.5 | Confident | 140 Ų | 140 | 74.4 Ų | 74.4 | 65% | 0.654 | 41% | 0.408 | S | S | * | . | trans | -49.2 | 134.8 | 170.9 | -76.7 | -63.3 | 157.7 | 0 | 0 | 111.5 | N384 I385 Q386 | E382-N384 PolarHBondContact O-N 3.39Å; E382-I385 HydrophobicContact CB-CG1 4.4Å; E382-I385 PolarHBondContact O-N 3.21Å; E382-Q386 PolarHBondContact O-N 3.44Å | ||
| 383 | P | 94.8 | Very high | 90.3 | Very high | 73 Ų | 73 | 73 Ų | 73 | 47% | 0.474 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -53.5 | -37.1 | -171.6 | -29.9 | 35.6 | 0 | 0 | 0 | 114.2 | I385 Q386 N387 | P383-I385 PolarHBondContact O-N 3.41Å; P383-Q386 PolarHBondContact O-N 2.74Å; P383-N387 WeakPolarHBondContact O-CB 3.44Å; P383-N387 PolarHBondContact O-N 3.41Å; P383-N387 PolarHBondContact O-ND2 3.3Å |
| 384 | N | 96.6 | Very high | 91.1 | Very high | 125 Ų | 125 | 73.4 Ų | 73.4 | 67% | 0.668 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -63.5 | -40.8 | 178.3 | -67.5 | -23.4 | 0 | 0 | 0 | 112.3 | E382 C388 | E382-N384 PolarHBondContact O-N 3.39Å; N384-C388 PolarHBondContact O-N 3.07Å; N384-C388 PolarHBondContact O-SG 3.48Å; N384-C388 VanDerWaalsContact O-SG 3.33Å |
| 385 | I | 96.9 | Very high | 92.2 | Very high | 79 Ų | 79 | 71.2 Ų | 71.2 | 41% | 0.405 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -74.1 | -45.9 | 177.8 | -57.2 | -58.9 | 0 | 0 | 0 | 110.1 | L364 L381 E382 P383 N387 C388 L389 | L364-I385 HydrophobicContact CD1-CG2 4.24Å; L381-I385 HydrophobicContact CD1-CG2 4.33Å; E382-I385 HydrophobicContact CB-CG1 4.4Å; E382-I385 PolarHBondContact O-N 3.21Å; P383-I385 PolarHBondContact O-N 3.41Å; I385-N387 VanDerWaalsContact C-N 3.28Å; I385-N387 PolarHBondContact O-N 2.71Å; I385-C388 PolarHBondContact O-N 2.73Å; I385-L389 HydrophobicContact CG2-CD1 3.99Å; I385-L389 HydrophobicContact CG2-CG 4.38Å; I385-L389 WeakPolarHBondContact O-CG 3.47Å; I385-L389 PolarHBondContact O-N 3.2Å |
| 386 | Q | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.4 | -37.3 | 177.4 | -174.7 | 56.1 | 66.8 | 0 | 0 | 111.7 | D368 T370 Q379 L381 E382 P383 S390 | D368-Q386 PolarHBondContact OD1-NE2 3.32Å; T370-Q386 PolarHBondContact OG1-NE2 3.11Å; Q379-Q386 HydrophobicContact CB-CG 4.46Å; Q379-Q386 HydrophobicContact CG-CG 3.97Å; L381-Q386 HydrophobicContact CB-CB 4.24Å; E382-Q386 PolarHBondContact O-N 3.44Å; P383-Q386 PolarHBondContact O-N 2.74Å; Q386-S390 PolarHBondContact NE2-OG 3.31Å; Q386-S390 VanDerWaalsContact NE2-OG 3.1Å; Q386-S390 VanDerWaalsContact O-CB 3.25Å; Q386-S390 WeakPolarHBondContact O-CB 3.42Å; Q386-S390 PolarHBondContact O-N 3.08Å; Q386-S390 PolarHBondContact O-OG 3.08Å |
| 387 | N | 95.5 | Very high | 94.3 | Very high | 94 Ų | 94 | 60.3 Ų | 60.3 | 50% | 0.503 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 176.3 | -74.3 | -25.4 | 0 | 0 | 0 | 112.3 | P383 I385 S390 H391 | P383-N387 WeakPolarHBondContact O-CB 3.44Å; P383-N387 PolarHBondContact O-N 3.41Å; P383-N387 PolarHBondContact O-ND2 3.3Å; I385-N387 VanDerWaalsContact C-N 3.28Å; I385-N387 PolarHBondContact O-N 2.71Å; N387-S390 PolarHBondContact O-N 3.3Å; N387-H391 PolarHBondContact O-N 3.09Å |
| 388 | C | 97 | Very high | 95 | Very high | 90 Ų | 90 | 57.8 Ų | 57.8 | 61% | 0.608 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.7 | -45.9 | 175.3 | -71.5 | 0 | 0 | 0 | 0 | 112.1 | N384 I385 S390 H391 F392 | N384-C388 PolarHBondContact O-N 3.07Å; N384-C388 PolarHBondContact O-SG 3.48Å; N384-C388 VanDerWaalsContact O-SG 3.33Å; I385-C388 PolarHBondContact O-N 2.73Å; C388-S390 VanDerWaalsContact C-N 3.35Å; C388-H391 PolarHBondContact O-N 3.35Å; C388-F392 PolarHBondContact O-N 2.92Å; C388-F392 VanDerWaalsContact O-N 3.12Å |
| 389 | L | 97 | Very high | 95.5 | Very high | 20 Ų | 20 | 56 Ų | 56 | 11% | 0.105 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 174.9 | -67.6 | 174.5 | 0 | 0 | 0 | 111.2 | L365 D368 L381 I385 H391 F392 S393 | L365-L389 HydrophobicContact CD2-CD2 3.83Å; D368-L389 HydrophobicContact CB-CD1 4.24Å; L381-L389 HydrophobicContact CD1-CD1 3.51Å; I385-L389 HydrophobicContact CG2-CD1 3.99Å; I385-L389 HydrophobicContact CG2-CG 4.38Å; I385-L389 WeakPolarHBondContact O-CG 3.47Å; I385-L389 PolarHBondContact O-N 3.2Å; L389-H391 PolarHBondContact O-N 3.47Å; L389-F392 PolarHBondContact O-N 3.45Å; L389-S393 WeakPolarHBondContact O-CB 3.22Å; L389-S393 PolarHBondContact O-N 3.13Å |
| 390 | S | 95.7 | Very high | 96 | Very high | 17 Ų | 17 | 50.7 Ų | 50.7 | 12% | 0.119 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 175.7 | -53.3 | 0 | 0 | 0 | 0 | 112.3 | T370 Q386 N387 C388 F392 S393 L394 | T370-S390 WeakPolarHBondContact OG1-CA 3.11Å; T370-S390 PolarHBondContact OG1-OG 3.44Å; Q386-S390 PolarHBondContact NE2-OG 3.31Å; Q386-S390 VanDerWaalsContact NE2-OG 3.1Å; Q386-S390 VanDerWaalsContact O-CB 3.25Å; Q386-S390 WeakPolarHBondContact O-CB 3.42Å; Q386-S390 PolarHBondContact O-N 3.08Å; Q386-S390 PolarHBondContact O-OG 3.08Å; N387-S390 PolarHBondContact O-N 3.3Å; C388-S390 VanDerWaalsContact C-N 3.35Å; S390-F392 VanDerWaalsContact C-N 3.35Å; S390-F392 PolarHBondContact O-N 3.32Å; S390-S393 PolarHBondContact O-N 2Å; S390-L394 WeakPolarHBondContact O-CB 3.3Å; S390-L394 WeakPolarHBondContact O-CD1 3.28Å; S390-L394 WeakPolarHBondContact O-CG 3.21Å; S390-L394 PolarHBondContact O-N 3.11Å |
| 391 | H | 96.2 | Very high | 96.2 | Very high | 108 Ų | 108 | 47.2 Ų | 47.2 | 50% | 0.5 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.2 | -46.3 | 175.1 | -179.1 | -78.7 | 0 | 0 | 0 | 111.7 | N387 C388 L389 I395 | N387-H391 PolarHBondContact O-N 3.09Å; C388-H391 PolarHBondContact O-N 3.35Å; L389-H391 PolarHBondContact O-N 3.47Å; H391-I395 WeakPolarHBondContact O-CB 3.48Å; H391-I395 PolarHBondContact O-N 3.02Å |
| 392 | F | 96.8 | Very high | 96.3 | Very high | 70 Ų | 70 | 50 Ų | 50 | 31% | 0.307 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.9 | -43.4 | 179 | 178.4 | -115.5 | 0 | 0 | 0 | 113 | C388 L389 S390 I395 T396 G400 I404 | C388-F392 PolarHBondContact O-N 2.92Å; C388-F392 VanDerWaalsContact O-N 3.12Å; L389-F392 PolarHBondContact O-N 3.45Å; S390-F392 VanDerWaalsContact C-N 3.35Å; S390-F392 PolarHBondContact O-N 3.32Å; F392-I395 PolarHBondContact O-N 3.08Å; F392-T396 HydrophobicContact CD2-CG2 4.05Å; F392-T396 HydrophobicContact CE2-CG2 3.77Å; F392-T396 HydrophobicContact CZ-CG2 4.22Å; F392-T396 WeakPolarHBondContact O-CB 3.47Å; F392-T396 WeakPolarHBondContact O-CG2 3.49Å; F392-T396 PolarHBondContact O-N 3.28Å; F392-T396 PolarHBondContact O-OG1 2.87Å; F392-G400 VanDerWaalsContact CE1-C 3.45Å; F392-I404 HydrophobicContact CE1-CD1 3.78Å; F392-I404 HydrophobicContact CZ-CD1 3.7Å |
| 393 | S | 96.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 3% | 0.028 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.5 | -39.2 | -179.5 | -169.7 | 0 | 0 | 0 | 0 | 111.3 | D368 N372 L389 S390 H397 G398 | D368-S393 PolarHBondContact OD2-OG 3.17Å; N372-S393 PolarHBondContact ND2-OG 3.44Å; L389-S393 WeakPolarHBondContact O-CB 3.22Å; L389-S393 PolarHBondContact O-N 3.13Å; S390-S393 PolarHBondContact O-N 2Å; S393-H397 WeakPolarHBondContact O-CA 3.48Å; S393-H397 PolarHBondContact O-N 2.99Å; S393-G398 PolarHBondContact O-N 3.33Å |
| 394 | L | 95.7 | Very high | 96.6 | Very high | 35 Ų | 35 | 43.1 Ų | 43.1 | 18% | 0.183 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.7 | -42.8 | 173.1 | -69.3 | 171.3 | 0 | 0 | 0 | 112.9 | R248 P253 T370 S390 T396 H397 | R248-L394 HydrophobicContact CB-CD2 4.24Å; R248-L394 HydrophobicContact CG-CD2 4.07Å; P253-L394 HydrophobicContact CG-CB 3.95Å; T370-L394 HydrophobicContact CG2-CD2 4.37Å; T370-L394 HydrophobicContact CG2-CG 4.19Å; S390-L394 WeakPolarHBondContact O-CB 3.3Å; S390-L394 WeakPolarHBondContact O-CD1 3.28Å; S390-L394 WeakPolarHBondContact O-CG 3.21Å; S390-L394 PolarHBondContact O-N 3.11Å; L394-T396 VanDerWaalsContact C-N 3.28Å; L394-T396 PolarHBondContact O-N 3.42Å; L394-H397 PolarHBondContact O-CD2 2.92Å; L394-H397 PolarHBondContact O-N 3.36Å; L394-H397 PolarHBondContact O-NE2 2.84Å; L394-H397 VanDerWaalsContact O-NE2 3.13Å |
| 395 | I | 96 | Very high | 96.7 | Very high | 34 Ų | 34 | 38 Ų | 38 | 17% | 0.174 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -74.6 | -18.7 | -178.4 | -148.2 | 75.2 | 0 | 0 | 0 | 113.4 | P253 E254 A296 H391 F392 H397 | P253-I395 HydrophobicContact CB-CD1 4.13Å; P253-I395 HydrophobicContact CG-CB 4.46Å; P253-I395 HydrophobicContact CG-CD1 3.84Å; E254-I395 HydrophobicContact CG-CD1 3.7Å; A296-I395 HydrophobicContact CB-CD1 3.58Å; H391-I395 WeakPolarHBondContact O-CB 3.48Å; H391-I395 PolarHBondContact O-N 3.02Å; F392-I395 PolarHBondContact O-N 3.08Å; I395-H397 PolarHBondContact O-CE1 2.86Å |
| 396 | T | 96.6 | Very high | 96.8 | Very high | 9 Ų | 9 | 34.7 Ų | 34.7 | 6% | 0.055 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 1.6 | 175 | 63.3 | 0 | 0 | 0 | 0 | 113.4 | L301 F392 L394 G398 F399 G400 | L301-T396 HydrophobicContact CD1-CG2 3.86Å; F392-T396 HydrophobicContact CD2-CG2 4.05Å; F392-T396 HydrophobicContact CE2-CG2 3.77Å; F392-T396 HydrophobicContact CZ-CG2 4.22Å; F392-T396 WeakPolarHBondContact O-CB 3.47Å; F392-T396 WeakPolarHBondContact O-CG2 3.49Å; F392-T396 PolarHBondContact O-N 3.28Å; F392-T396 PolarHBondContact O-OG1 2.87Å; L394-T396 VanDerWaalsContact C-N 3.28Å; L394-T396 PolarHBondContact O-N 3.42Å; T396-G398 PolarHBondContact O-N 3.07Å; T396-F399 VanDerWaalsContact O-CB 3.28Å; T396-F399 WeakPolarHBondContact O-CB 3.3Å; T396-F399 PolarHBondContact O-N 2.7Å; T396-G400 WeakPolarHBondContact OG1-CA 3.42Å; T396-G400 PolarHBondContact OG1-N 3.21Å |
| 397 | H | 96 | Very high | 96.9 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.019 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 35.3 | 178.8 | -44.6 | 101.9 | 0 | 0 | 0 | 113.2 | R249 E254 L301 T302 E306 A309 S393 L394 I395 F399 | R249-H397 PolarHBondContact NH1-CD2 3.06Å; R249-H397 VanDerWaalsContact NH1-CD2 3.3Å; R249-H397 PolarHBondContact NH1-NE2 2.97Å; R249-H397 PolarHBondContact NH2-CD2 3Å; R249-H397 VanDerWaalsContact NH2-CD2 3.32Å; E254-H397 IonicContact OE1-CE1 3.66Å; E254-H397 PolarHBondContact OE1-CE1 3.45Å; E254-H397 VanDerWaalsContact OE1-CE1 3.3Å; E254-H397 IonicContact OE1-NE2 2.83Å; E254-H397 PolarHBondContact OE1-NE2 2.9Å; E254-H397 IonicContact OE2-CD2 2.72Å; E254-H397 IonicContact OE2-NE2 3.76Å; E254-H397 PolarHBondContact OE2-NE2 3.3Å; L301-H397 PolarHBondContact O-CE1 3.12Å; L301-H397 PolarHBondContact O-ND1 3.36Å; T302-H397 WeakPolarHBondContact CA-CE1 3.34Å; T302-H397 PolarHBondContact N-CE1 3.21Å; E306-H397 HydrophobicContact CG-CB 3.98Å; A309-H397 HydrophobicContact CB-CB 3.75Å; A309-H397 VanDerWaalsContact CB-O 3.3Å; A309-H397 WeakPolarHBondContact CB-O 3.34Å; S393-H397 WeakPolarHBondContact O-CA 3.48Å; S393-H397 PolarHBondContact O-N 2.99Å; L394-H397 PolarHBondContact O-CD2 2.92Å; L394-H397 PolarHBondContact O-N 3.36Å; L394-H397 PolarHBondContact O-NE2 2.84Å; L394-H397 VanDerWaalsContact O-NE2 3.13Å; I395-H397 PolarHBondContact O-CE1 2.86Å; H397-F399 VanDerWaalsContact C-N 3.34Å |
| 398 | G | 95.2 | Very high | 97 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | -6.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | N372 S393 T396 Q402 | N372-G398 WeakPolarHBondContact ND2-CA 3.4Å; S393-G398 PolarHBondContact O-N 3.33Å; T396-G398 PolarHBondContact O-N 3.07Å; G398-Q402 PolarHBondContact O-NE2 2.94Å |
| 399 | F | 97.5 | Very high | 97.1 | Very high | 44 Ų | 44 | 31.3 Ų | 31.3 | 19% | 0.193 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.8 | -43.9 | 177 | 170.6 | -98.6 | 0 | 0 | 0 | 112.4 | L301 A309 L312 A313 T396 H397 S401 Q402 A403 | L301-F399 HydrophobicContact CD1-CD1 4.36Å; L301-F399 HydrophobicContact CD2-CD1 4.03Å; L301-F399 HydrophobicContact CD2-CG 4.4Å; A309-F399 HydrophobicContact CB-CB 4.06Å; L312-F399 HydrophobicContact CB-CD2 4.32Å; L312-F399 HydrophobicContact CD2-CD2 4.11Å; L312-F399 HydrophobicContact CD2-CE2 3.99Å; L312-F399 HydrophobicContact CG-CD2 4.06Å; L312-F399 HydrophobicContact CG-CE2 3.82Å; A313-F399 HydrophobicContact CB-CD2 3.75Å; A313-F399 HydrophobicContact CB-CE2 4.33Å; T396-F399 VanDerWaalsContact O-CB 3.28Å; T396-F399 WeakPolarHBondContact O-CB 3.3Å; T396-F399 PolarHBondContact O-N 2.7Å; H397-F399 VanDerWaalsContact C-N 3.34Å; F399-S401 PolarHBondContact O-N 3Å; F399-Q402 PolarHBondContact O-N 2.99Å; F399-A403 HydrophobicContact CD1-CB 4.22Å; F399-A403 HydrophobicContact CD2-CB 4.38Å; F399-A403 HydrophobicContact CE1-CB 3.74Å; F399-A403 HydrophobicContact CE2-CB 3.89Å; F399-A403 HydrophobicContact CZ-CB 3.55Å; F399-A403 WeakPolarHBondContact O-CB 3.06Å; F399-A403 PolarHBondContact O-N 3.44Å |
| 400 | G | 97.4 | Very high | 97.1 | Very high | 5 Ų | 5 | 30.7 Ų | 30.7 | 5% | 0.052 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.1 | -55.9 | -163.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | F392 T396 Q402 A403 I404 | F392-G400 VanDerWaalsContact CE1-C 3.45Å; T396-G400 WeakPolarHBondContact OG1-CA 3.42Å; T396-G400 PolarHBondContact OG1-N 3.21Å; G400-Q402 VanDerWaalsContact C-N 3.33Å; G400-Q402 PolarHBondContact O-N 3.21Å; G400-A403 PolarHBondContact O-N 2.83Å; G400-I404 WeakPolarHBondContact O-CG1 3.21Å; G400-I404 PolarHBondContact O-N 3.14Å |
| 401 | S | 97.1 | Very high | 97.3 | Very high | 12 Ų | 12 | 32.9 Ų | 32.9 | 8% | 0.084 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.7 | -39.3 | -177.2 | -50.5 | 0 | 0 | 0 | 0 | 111.8 | F399 I404 C405 | F399-S401 PolarHBondContact O-N 3Å; S401-I404 PolarHBondContact O-N 3.09Å; S401-C405 PolarHBondContact O-N 2.83Å; S401-C405 PolarHBondContact O-SG 2.97Å |
| 402 | Q | 96.9 | Very high | 97.3 | Very high | 83 Ų | 83 | 29.2 Ų | 29.2 | 39% | 0.388 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -66.2 | -43.3 | 177.5 | -70.3 | 179.8 | 92.9 | 0 | 0 | 111.9 | A313 G398 F399 G400 I404 C405 A406 | A313-Q402 HydrophobicContact CB-CB 3.64Å; G398-Q402 PolarHBondContact O-NE2 2.94Å; F399-Q402 PolarHBondContact O-N 2.99Å; G400-Q402 VanDerWaalsContact C-N 3.33Å; G400-Q402 PolarHBondContact O-N 3.21Å; Q402-I404 VanDerWaalsContact C-N 3.33Å; Q402-I404 PolarHBondContact O-N 3.23Å; Q402-C405 PolarHBondContact O-N 3.36Å; Q402-A406 WeakPolarHBondContact O-CB 3.32Å; Q402-A406 PolarHBondContact O-N 3.11Å |
| 403 | A | 98.3 | Very high | 97.4 | Very high | 12 Ų | 12 | 27.6 Ų | 27.6 | 10% | 0.099 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.8 | -35.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F316 F399 G400 A407 | F316-A403 HydrophobicContact CD1-CB 4.06Å; F316-A403 HydrophobicContact CE1-CB 4.27Å; F399-A403 HydrophobicContact CD1-CB 4.22Å; F399-A403 HydrophobicContact CD2-CB 4.38Å; F399-A403 HydrophobicContact CE1-CB 3.74Å; F399-A403 HydrophobicContact CE2-CB 3.89Å; F399-A403 HydrophobicContact CZ-CB 3.55Å; F399-A403 WeakPolarHBondContact O-CB 3.06Å; F399-A403 PolarHBondContact O-N 3.44Å; G400-A403 PolarHBondContact O-N 2.83Å; A403-A407 PolarHBondContact O-N 3.01Å |
| 404 | I | 98.5 | Very high | 97.5 | Very high | 57 Ų | 57 | 29.1 Ų | 29.1 | 29% | 0.292 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.4 | -47.8 | 172.5 | -67.5 | 169.9 | 0 | 0 | 0 | 110.5 | F361 L365 F392 G400 S401 Q402 A406 A407 V408 | F361-I404 HydrophobicContact CE1-CG2 3.55Å; F361-I404 HydrophobicContact CZ-CG2 4.05Å; L365-I404 HydrophobicContact CD1-CB 4.12Å; L365-I404 HydrophobicContact CD1-CG2 3.58Å; F392-I404 HydrophobicContact CE1-CD1 3.78Å; F392-I404 HydrophobicContact CZ-CD1 3.7Å; G400-I404 WeakPolarHBondContact O-CG1 3.21Å; G400-I404 PolarHBondContact O-N 3.14Å; S401-I404 PolarHBondContact O-N 3.09Å; Q402-I404 VanDerWaalsContact C-N 3.33Å; Q402-I404 PolarHBondContact O-N 3.23Å; I404-A406 VanDerWaalsContact C-N 3.31Å; I404-A406 PolarHBondContact O-N 3.48Å; I404-A407 PolarHBondContact O-N 3.06Å; I404-V408 HydrophobicContact CG2-CG2 4.29Å; I404-V408 WeakPolarHBondContact O-CG2 3.49Å; I404-V408 PolarHBondContact O-N 3.39Å |
| 405 | C | 98.3 | Very high | 97.6 | Very high | 17 Ų | 17 | 27.6 Ų | 27.6 | 12% | 0.115 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.3 | -41.3 | 176.2 | -72.4 | 0 | 0 | 0 | 0 | 112.3 | S401 Q402 V408 S409 | S401-C405 PolarHBondContact O-N 2.83Å; S401-C405 PolarHBondContact O-SG 2.97Å; Q402-C405 PolarHBondContact O-N 3.36Å; C405-V408 PolarHBondContact O-N 3.32Å; C405-S409 WeakPolarHBondContact O-CB 3.49Å; C405-S409 PolarHBondContact O-N 3.43Å |
| 406 | A | 98.4 | Very high | 97.7 | Very high | 9 Ų | 9 | 30.4 Ų | 30.4 | 7% | 0.074 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.1 | -48.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F316 A317 Q402 I404 V408 S409 A410 | F316-A406 HydrophobicContact CD1-CB 3.88Å; F316-A406 HydrophobicContact CE1-CB 4.05Å; A317-A406 HydrophobicContact CB-CB 3.82Å; Q402-A406 WeakPolarHBondContact O-CB 3.32Å; Q402-A406 PolarHBondContact O-N 3.11Å; I404-A406 VanDerWaalsContact C-N 3.31Å; I404-A406 PolarHBondContact O-N 3.48Å; A406-V408 PolarHBondContact O-N 3.19Å; A406-S409 WeakPolarHBondContact O-CB 3.48Å; A406-S409 PolarHBondContact O-N 3.05Å; A406-A410 PolarHBondContact O-N 3.29Å |
| 407 | A | 98.3 | Very high | 97.7 | Very high | 45 Ų | 45 | 32.9 Ų | 32.9 | 37% | 0.372 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.8 | -39.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A403 I404 A410 V411 | A403-A407 PolarHBondContact O-N 3.01Å; I404-A407 PolarHBondContact O-N 3.06Å; A407-A410 PolarHBondContact O-N 3.03Å; A407-V411 PolarHBondContact O-N 3.35Å; A407-V411 VanDerWaalsContact O-N 3.17Å |
| 408 | V | 98.5 | Very high | 97.8 | Very high | 20 Ų | 20 | 32.7 Ų | 32.7 | 12% | 0.121 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.9 | -34.8 | 175.6 | 177.2 | 0 | 0 | 0 | 0 | 111.5 | C358 F361 T362 I404 C405 A406 V411 Q412 | C358-V408 HydrophobicContact CB-CG1 3.62Å; F361-V408 HydrophobicContact CD1-CG2 4.21Å; F361-V408 HydrophobicContact CE1-CG2 4.37Å; T362-V408 HydrophobicContact CG2-CB 3.9Å; T362-V408 HydrophobicContact CG2-CG1 3.63Å; I404-V408 HydrophobicContact CG2-CG2 4.29Å; I404-V408 WeakPolarHBondContact O-CG2 3.49Å; I404-V408 PolarHBondContact O-N 3.39Å; C405-V408 PolarHBondContact O-N 3.32Å; A406-V408 PolarHBondContact O-N 3.19Å; V408-V411 WeakPolarHBondContact O-CB 3.37Å; V408-V411 PolarHBondContact O-N 3.44Å; V408-Q412 HydrophobicContact CG1-CG 4.49Å; V408-Q412 WeakPolarHBondContact O-CG 3.27Å; V408-Q412 PolarHBondContact O-N 3.1Å |
| 409 | S | 98 | Very high | 97.8 | Very high | 49 Ų | 49 | 33.4 Ų | 33.4 | 34% | 0.343 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.3 | -43.3 | 172.8 | -173.1 | 0 | 0 | 0 | 0 | 111.9 | C405 A406 V411 Q412 N413 | C405-S409 WeakPolarHBondContact O-CB 3.49Å; C405-S409 PolarHBondContact O-N 3.43Å; A406-S409 WeakPolarHBondContact O-CB 3.48Å; A406-S409 PolarHBondContact O-N 3.05Å; S409-V411 VanDerWaalsContact C-N 3.33Å; S409-V411 PolarHBondContact O-N 3.35Å; S409-Q412 WeakPolarHBondContact O-CB 3.34Å; S409-Q412 PolarHBondContact O-N 3.3Å; S409-Q412 VanDerWaalsContact O-N 3.15Å; S409-N413 PolarHBondContact O-N 2.98Å |
| 410 | A | 98.3 | Very high | 97.7 | Very high | 6 Ų | 6 | 34.8 Ų | 34.8 | 5% | 0.05 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.4 | -39.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | C320 F324 A406 A407 N413 Y414 | C320-A410 HydrophobicContact CB-CB 4.35Å; F324-A410 HydrophobicContact CB-CB 4.44Å; F324-A410 HydrophobicContact CD1-CB 3.82Å; F324-A410 HydrophobicContact CE1-CB 4.24Å; F324-A410 HydrophobicContact CG-CB 4.05Å; A406-A410 PolarHBondContact O-N 3.29Å; A407-A410 PolarHBondContact O-N 3.03Å; A410-N413 PolarHBondContact O-N 2.96Å; A410-Y414 PolarHBondContact O-N 2.97Å |
| 411 | V | 98.1 | Very high | 97.5 | Very high | 63 Ų | 63 | 35.5 Ų | 35.5 | 38% | 0.382 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.3 | -43.8 | 172.3 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | A407 V408 S409 N413 Y414 I415 | A407-V411 PolarHBondContact O-N 3.35Å; A407-V411 VanDerWaalsContact O-N 3.17Å; V408-V411 WeakPolarHBondContact O-CB 3.37Å; V408-V411 PolarHBondContact O-N 3.44Å; S409-V411 VanDerWaalsContact C-N 3.33Å; S409-V411 PolarHBondContact O-N 3.35Å; V411-N413 VanDerWaalsContact C-N 3.31Å; V411-N413 PolarHBondContact O-N 3.13Å; V411-Y414 HydrophobicContact CG1-CD1 4.48Å; V411-Y414 WeakPolarHBondContact O-CD1 3.34Å; V411-Y414 PolarHBondContact O-N 3.05Å; V411-I415 HydrophobicContact CG1-CD1 3.97Å; V411-I415 WeakPolarHBondContact O-CG1 3.44Å; V411-I415 PolarHBondContact O-N 3.48Å |
| 412 | Q | 98 | Very high | 97.3 | Very high | 32 Ų | 32 | 35 Ų | 35 | 15% | 0.15 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62 | -37.1 | 176 | -75.1 | 177.5 | -21.7 | 0 | 0 | 112.1 | C358 V408 S409 I415 K416 | C358-Q412 HydrophobicContact CB-CG 3.7Å; V408-Q412 HydrophobicContact CG1-CG 4.49Å; V408-Q412 WeakPolarHBondContact O-CG 3.27Å; V408-Q412 PolarHBondContact O-N 3.1Å; S409-Q412 WeakPolarHBondContact O-CB 3.34Å; S409-Q412 PolarHBondContact O-N 3.3Å; S409-Q412 VanDerWaalsContact O-N 3.15Å; Q412-I415 PolarHBondContact O-N 3.12Å; Q412-K416 VanDerWaalsContact O-CG 3.3Å; Q412-K416 WeakPolarHBondContact O-CG 3.42Å; Q412-K416 PolarHBondContact O-N 3.06Å |
| 413 | N | 97.9 | Very high | 97 | Very high | 36 Ų | 36 | 34.2 Ų | 34.2 | 19% | 0.193 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.9 | -41.3 | 176 | -72.4 | -14.8 | 0 | 0 | 0 | 112.1 | S326 S409 A410 V411 I415 K416 E417 | S326-N413 WeakPolarHBondContact OG-CB 3.23Å; S409-N413 PolarHBondContact O-N 2.98Å; A410-N413 PolarHBondContact O-N 2.96Å; V411-N413 VanDerWaalsContact C-N 3.31Å; V411-N413 PolarHBondContact O-N 3.13Å; N413-I415 VanDerWaalsContact C-N 3.33Å; N413-I415 PolarHBondContact O-N 3.29Å; N413-K416 PolarHBondContact O-N 3.16Å; N413-K416 PolarHBondContact OD1-NZ 3.43Å; N413-E417 PolarHBondContact O-N 3.13Å |
| 414 | Y | 97.9 | Very high | 96.6 | Very high | 36 Ų | 36 | 39.7 Ų | 39.7 | 14% | 0.141 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.6 | -43.4 | 167.9 | 144 | -105.3 | 0 | 0 | 0 | 112.1 | V329 A330 L333 R347 A410 V411 E417 A418 | V329-Y414 HydrophobicContact CB-CD2 4.32Å; V329-Y414 HydrophobicContact CG1-CD2 3.73Å; V329-Y414 HydrophobicContact CG1-CE2 4.12Å; V329-Y414 HydrophobicContact CG1-CG 4.25Å; A330-Y414 HydrophobicContact CB-CD2 3.98Å; A330-Y414 HydrophobicContact CB-CE2 4.41Å; L333-Y414 HydrophobicContact CB-CE2 4.28Å; L333-Y414 HydrophobicContact CD1-CE2 3.74Å; R347-Y414 PolarHBondContact NH2-OH 2.93Å; A410-Y414 PolarHBondContact O-N 2.97Å; V411-Y414 HydrophobicContact CG1-CD1 4.48Å; V411-Y414 WeakPolarHBondContact O-CD1 3.34Å; V411-Y414 PolarHBondContact O-N 3.05Å; Y414-E417 PolarHBondContact O-N 3.39Å; Y414-A418 HydrophobicContact CE2-CB 4.29Å; Y414-A418 WeakPolarHBondContact O-CB 3.43Å; Y414-A418 PolarHBondContact O-N 2.9Å |
| 415 | I | 98.1 | Very high | 95.9 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.015 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.6 | -42.6 | 178.4 | -68.6 | 165.8 | 0 | 0 | 0 | 111.2 | L351 A354 Q355 V411 Q412 N413 A418 L419 | L351-I415 HydrophobicContact CB-CG2 4.17Å; L351-I415 HydrophobicContact CD2-CG1 4.13Å; L351-I415 HydrophobicContact CD2-CG2 4.24Å; L351-I415 WeakPolarHBondContact O-CG2 3.5Å; A354-I415 HydrophobicContact CB-CD1 3.94Å; Q355-I415 HydrophobicContact CB-CG2 3.99Å; Q355-I415 HydrophobicContact CG-CG2 4.33Å; V411-I415 HydrophobicContact CG1-CD1 3.97Å; V411-I415 WeakPolarHBondContact O-CG1 3.44Å; V411-I415 PolarHBondContact O-N 3.48Å; Q412-I415 PolarHBondContact O-N 3.12Å; N413-I415 VanDerWaalsContact C-N 3.33Å; N413-I415 PolarHBondContact O-N 3.29Å; I415-A418 PolarHBondContact O-N 3.43Å; I415-L419 HydrophobicContact CG2-CD1 3.99Å; I415-L419 HydrophobicContact CG2-CG 4.43Å; I415-L419 WeakPolarHBondContact O-CG 3.31Å; I415-L419 PolarHBondContact O-N 3Å |
| 416 | K | 98 | Very high | 95.1 | Very high | 93 Ų | 93 | 41.8 Ų | 41.8 | 40% | 0.404 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.7 | -50.3 | 174.7 | -69.1 | 167.3 | -163.3 | 164.5 | 0 | 111.2 | Q412 N413 A418 L419 I420 | Q412-K416 VanDerWaalsContact O-CG 3.3Å; Q412-K416 WeakPolarHBondContact O-CG 3.42Å; Q412-K416 PolarHBondContact O-N 3.06Å; N413-K416 PolarHBondContact O-N 3.16Å; N413-K416 PolarHBondContact OD1-NZ 3.43Å; K416-A418 VanDerWaalsContact C-N 3.33Å; K416-A418 PolarHBondContact O-N 2.86Å; K416-L419 PolarHBondContact O-N 3.47Å; K416-I420 WeakPolarHBondContact O-CG1 3.22Å; K416-I420 PolarHBondContact O-N 3.35Å |
| 417 | E | 97.8 | Very high | 94 | Very high | 61 Ų | 61 | 48.7 Ų | 48.7 | 29% | 0.285 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61 | -39.6 | 177.6 | -72.4 | -65.6 | 147.4 | 0 | 0 | 112.2 | K327 A330 N413 Y414 I420 A421 | K327-E417 HydrophobicContact CB-CG 4.02Å; K327-E417 WeakPolarHBondContact CG-OE2 3.29Å; A330-E417 HydrophobicContact CB-CB 3.56Å; N413-E417 PolarHBondContact O-N 3.13Å; Y414-E417 PolarHBondContact O-N 3.39Å; E417-I420 PolarHBondContact O-N 3.23Å; E417-A421 PolarHBondContact O-N 3.02Å |
| 418 | A | 96.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66 | -38.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | A330 L351 Y414 I415 K416 A421 I422 | A330-A418 HydrophobicContact CB-CB 3.97Å; L351-A418 HydrophobicContact CD1-CB 3.74Å; L351-A418 HydrophobicContact CD2-CB 4.12Å; Y414-A418 HydrophobicContact CE2-CB 4.29Å; Y414-A418 WeakPolarHBondContact O-CB 3.43Å; Y414-A418 PolarHBondContact O-N 2.9Å; I415-A418 PolarHBondContact O-N 3.43Å; K416-A418 VanDerWaalsContact C-N 3.33Å; K416-A418 PolarHBondContact O-N 2.86Å; A418-A421 PolarHBondContact O-N 3.36Å; A418-I422 VanDerWaalsContact O-CG1 3.27Å; A418-I422 WeakPolarHBondContact O-CG1 3.18Å; A418-I422 PolarHBondContact O-N 2.91Å |
| 419 | L | 96.6 | Very high | 90.5 | Very high | 19 Ų | 19 | 55.2 Ų | 55.2 | 10% | 0.099 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 173.3 | -69.2 | 168 | 0 | 0 | 0 | 111.4 | K348 L351 L352 I415 K416 A421 I422 D423 | K348-L419 HydrophobicContact CG-CD2 3.89Å; L351-L419 HydrophobicContact CB-CD2 3.88Å; L351-L419 HydrophobicContact CB-CG 4.27Å; L351-L419 HydrophobicContact CD1-CD2 4.28Å; L352-L419 HydrophobicContact CD2-CD1 3.84Å; L352-L419 HydrophobicContact CD2-CD2 4.13Å; L352-L419 HydrophobicContact CG-CD2 4.09Å; I415-L419 HydrophobicContact CG2-CD1 3.99Å; I415-L419 HydrophobicContact CG2-CG 4.43Å; I415-L419 WeakPolarHBondContact O-CG 3.31Å; I415-L419 PolarHBondContact O-N 3Å; K416-L419 PolarHBondContact O-N 3.47Å; L419-A421 VanDerWaalsContact C-N 3.34Å; L419-A421 PolarHBondContact O-N 3.45Å; L419-I422 PolarHBondContact O-N 3.5Å; L419-D423 PolarHBondContact O-N 3.05Å |
| 420 | I | 95.3 | Very high | 88.4 | Confident | 73 Ų | 73 | 55.6 Ų | 55.6 | 37% | 0.374 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 174.5 | -68.5 | 164.6 | 0 | 0 | 0 | 111.3 | K416 E417 D423 K424 | K416-I420 WeakPolarHBondContact O-CG1 3.22Å; K416-I420 PolarHBondContact O-N 3.35Å; E417-I420 PolarHBondContact O-N 3.23Å; I420-D423 PolarHBondContact O-N 2.9Å; I420-K424 HydrophobicContact CG2-CD 4.09Å; I420-K424 VanDerWaalsContact O-CG 3.31Å; I420-K424 WeakPolarHBondContact O-CG 3.48Å; I420-K424 PolarHBondContact O-N 3.13Å |
| 421 | A | 92.5 | Very high | 86.1 | Confident | 20 Ų | 20 | 61.8 Ų | 61.8 | 17% | 0.165 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | T334 E417 A418 L419 S425 | T334-A421 HydrophobicContact CG2-CB 4.35Å; E417-A421 PolarHBondContact O-N 3.02Å; A418-A421 PolarHBondContact O-N 3.36Å; L419-A421 VanDerWaalsContact C-N 3.34Å; L419-A421 PolarHBondContact O-N 3.45Å; A421-S425 PolarHBondContact O-N 2.93Å; A421-S425 VanDerWaalsContact O-N 3.16Å |
| 422 | I | 93 | Very high | 83.7 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64 | -45.7 | 175.3 | -68.3 | 169 | 0 | 0 | 0 | 110.9 | T334 M344 R347 K348 L351 A418 L419 K424 S425 Y426 | T334-I422 HydrophobicContact CG2-CD1 4.41Å; T334-I422 HydrophobicContact CG2-CG1 3.75Å; M344-I422 HydrophobicContact CE-CG1 4.05Å; M344-I422 HydrophobicContact SD-CB 4.23Å; M344-I422 HydrophobicContact SD-CG1 3.8Å; M344-I422 HydrophobicContact SD-CG2 3.95Å; R347-I422 HydrophobicContact CB-CD1 4.48Å; R347-I422 HydrophobicContact CG-CD1 3.91Å; K348-I422 HydrophobicContact CB-CD1 4.33Å; K348-I422 HydrophobicContact CB-CG2 4.3Å; K348-I422 HydrophobicContact CD-CG2 4.2Å; L351-I422 HydrophobicContact CD1-CD1 3.52Å; A418-I422 VanDerWaalsContact O-CG1 3.27Å; A418-I422 WeakPolarHBondContact O-CG1 3.18Å; A418-I422 PolarHBondContact O-N 2.91Å; L419-I422 PolarHBondContact O-N 3.5Å; I422-K424 VanDerWaalsContact C-N 3.34Å; I422-K424 PolarHBondContact O-N 3.13Å; I422-S425 WeakPolarHBondContact O-CB 3.49Å; I422-S425 PolarHBondContact O-N 2.96Å; I422-S425 PolarHBondContact O-OG 3.05Å; I422-Y426 HydrophobicContact CG2-CD2 4.08Å; I422-Y426 HydrophobicContact CG2-CE2 3.53Å; I422-Y426 WeakPolarHBondContact O-CD2 3.48Å; I422-Y426 PolarHBondContact O-N 3.25Å |
| 423 | D | 91.2 | Very high | 80.8 | Confident | 67 Ų | 67 | 69 Ų | 69 | 36% | 0.358 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.9 | -33.5 | -178.1 | -73.3 | -21.4 | 0 | 0 | 0 | 112.6 | K348 L419 I420 S425 Y426 M427 | K348-D423 VanDerWaalsContact NZ-CG 3.29Å; K348-D423 IonicContact NZ-OD1 2.74Å; K348-D423 PolarHBondContact NZ-OD1 3.29Å; K348-D423 IonicContact NZ-OD2 3.47Å; K348-D423 PolarHBondContact NZ-OD2 2.98Å; K348-D423 VanDerWaalsContact NZ-OD2 3.14Å; L419-D423 PolarHBondContact O-N 3.05Å; I420-D423 PolarHBondContact O-N 2.9Å; D423-S425 VanDerWaalsContact C-N 3.33Å; D423-S425 PolarHBondContact O-N 3.47Å; D423-Y426 PolarHBondContact O-N 3.42Å; D423-M427 WeakPolarHBondContact O-CG 3.29Å; D423-M427 PolarHBondContact O-N 3.06Å |
| 424 | K | 89.2 | Confident | 78.1 | Confident | 128 Ų | 128 | 72.9 Ų | 72.9 | 56% | 0.557 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.2 | -38 | 167.7 | -74 | 168.5 | -178.9 | 170.5 | 0 | 112.7 | I420 I422 Y426 M427 N428 | I420-K424 HydrophobicContact CG2-CD 4.09Å; I420-K424 VanDerWaalsContact O-CG 3.31Å; I420-K424 WeakPolarHBondContact O-CG 3.48Å; I420-K424 PolarHBondContact O-N 3.13Å; I422-K424 VanDerWaalsContact C-N 3.34Å; I422-K424 PolarHBondContact O-N 3.13Å; K424-Y426 VanDerWaalsContact C-N 3.3Å; K424-Y426 PolarHBondContact O-N 2.85Å; K424-M427 PolarHBondContact O-N 2.94Å; K424-N428 PolarHBondContact O-N 2.94Å; K424-N428 VanDerWaalsContact O-N 3.16Å |
| 425 | S | 84.5 | Confident | 75.5 | Confident | 40 Ų | 40 | 75.6 Ų | 75.6 | 28% | 0.28 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.1 | -32.1 | 178 | 81.2 | 0 | 0 | 0 | 0 | 113 | A421 I422 D423 | A421-S425 PolarHBondContact O-N 2.93Å; A421-S425 VanDerWaalsContact O-N 3.16Å; I422-S425 WeakPolarHBondContact O-CB 3.49Å; I422-S425 PolarHBondContact O-N 2.96Å; I422-S425 PolarHBondContact O-OG 3.05Å; D423-S425 VanDerWaalsContact C-N 3.33Å; D423-S425 PolarHBondContact O-N 3.47Å |
| 426 | Y | 80.5 | Confident | 72.7 | Confident | 78 Ų | 78 | 79.9 Ų | 79.9 | 31% | 0.306 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -73.5 | -28.1 | 173.9 | -70.3 | -59.2 | 0 | 0 | 0 | 113.4 | R341 A345 I422 D423 K424 | R341-Y426 HydrophobicContact CG-CE1 4.49Å; A345-Y426 PolarHBondContact N-OH 3.25Å; I422-Y426 HydrophobicContact CG2-CD2 4.08Å; I422-Y426 HydrophobicContact CG2-CE2 3.53Å; I422-Y426 WeakPolarHBondContact O-CD2 3.48Å; I422-Y426 PolarHBondContact O-N 3.25Å; D423-Y426 PolarHBondContact O-N 3.42Å; K424-Y426 VanDerWaalsContact C-N 3.3Å; K424-Y426 PolarHBondContact O-N 2.85Å |
| 427 | M | 75.6 | Confident | 70.3 | Confident | 154 Ų | 154 | 79.9 Ų | 79.9 | 76% | 0.759 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -81.8 | -16.4 | 177.1 | -64.6 | -61 | 101.7 | 0 | 0 | 113.4 | D423 K424 P429 | D423-M427 WeakPolarHBondContact O-CG 3.29Å; D423-M427 PolarHBondContact O-N 3.06Å; K424-M427 PolarHBondContact O-N 2.94Å; M427-P429 WeakPolarHBondContact O-CD 3.47Å |
| 428 | N | 63.5 | Low | 67.8 | Low | 97 Ų | 97 | 81.3 Ų | 81.3 | 52% | 0.519 | 48% | 0.481 | S | S | . | . | trans | -114.2 | 55.3 | 179.9 | -151.2 | 43.6 | 0 | 0 | 0 | 114.2 | K424 G430 D431 | K424-N428 PolarHBondContact O-N 2.94Å; K424-N428 VanDerWaalsContact O-N 3.16Å; N428-G430 PolarHBondContact O-N 3.35Å; N428-D431 PolarHBondContact ND2-OD2 3.16Å | ||
| 429 | P | 59 | Low | 65.5 | Low | 104 Ų | 104 | 88.3 Ų | 88.3 | 68% | 0.675 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -72.9 | -5.3 | 178.6 | 33.4 | -36.7 | 0 | 0 | 0 | 113.8 | M427 | M427-P429 WeakPolarHBondContact O-CD 3.47Š|
| 430 | G | 54 | Low | 63 | Low | 58 Ų | 58 | 92.1 Ų | 92.1 | 60% | 0.598 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -75.9 | -28.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116 | N428 | N428-G430 PolarHBondContact O-N 3.35Š|
| 431 | D | 49.9 | Very low | 60.9 | Low | 135 Ų | 135 | 95.6 Ų | 95.6 | 72% | 0.722 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -91.2 | 4.5 | -173.4 | -75.6 | -37.5 | 0 | 0 | 0 | 114.5 | N428 | N428-D431 PolarHBondContact ND2-OD2 3.16Š|
| 432 | Q | 49.3 | Very low | 58.9 | Low | 151 Ų | 151 | 102.5 Ų | 102.5 | 71% | 0.706 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -109.7 | 26 | 176 | -67.4 | -166 | 41.8 | 0 | 0 | 113.8 | ||
| 433 | S | 35.8 | Very low | 56.9 | Low | 96 Ų | 96 | 111.2 Ų | 111.2 | 67% | 0.671 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -73.4 | 131.2 | 154.7 | -83.8 | 0 | 0 | 0 | 0 | 108.9 | A435 | S433-A435 PolarHBondContact O-N 3.09Å; S433-A435 VanDerWaalsContact O-N 3.13Å |
| 434 | P | 42.6 | Very low | 55.1 | Low | 117 Ų | 117 | 114.9 Ų | 114.9 | 76% | 0.76 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 120.7 | 165.3 | 27.5 | -32 | 0 | 0 | 0 | 107.4 | D436 | P434-D436 PolarHBondContact O-N 3.29Š|
| 435 | A | 42.3 | Very low | 53.4 | Low | 94 Ų | 94 | 116 Ų | 116 | 78% | 0.777 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 127.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | S433 S437 | S433-A435 PolarHBondContact O-N 3.09Å; S433-A435 VanDerWaalsContact O-N 3.13Å; A435-S437 VanDerWaalsContact C-N 3.34Å; A435-S437 PolarHBondContact O-N 3.33Å |
| 436 | D | 40.4 | Very low | 51.9 | Low | 93 Ų | 93 | 123.3 Ų | 123.3 | 50% | 0.497 | 67% | 0.67 | S | S | . | * | trans | -46.1 | 85.4 | -170.9 | -84 | -46.4 | 0 | 0 | 0 | 113.7 | P434 S438 K439 | P434-D436 PolarHBondContact O-N 3.29Å; D436-S438 PolarHBondContact O-N 3.28Å; D436-K439 HydrophobicContact CB-CB 4.14Å; D436-K439 HydrophobicContact CB-CD 3.92Å; D436-K439 HydrophobicContact CB-CG 4.06Å; D436-K439 PolarHBondContact O-N 3.28Å; D436-K439 VanDerWaalsContact O-N 3.13Å; D436-K439 WeakPolarHBondContact OD2-CD 3.01Å; D436-K439 WeakPolarHBondContact OD2-CE 3.41Å; D436-K439 IonicContact OD2-NZ 2.67Å; D436-K439 PolarHBondContact OD2-NZ 3.03Å | ||
| 437 | S | 46.2 | Very low | 50.7 | Low | 92 Ų | 92 | 128.3 Ų | 128.3 | 64% | 0.643 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -22.2 | 174 | 49 | 0 | 0 | 0 | 0 | 111.5 | A435 K439 | A435-S437 VanDerWaalsContact C-N 3.34Å; A435-S437 PolarHBondContact O-N 3.33Å; S437-K439 PolarHBondContact O-N 3.29Å |
| 438 | S | 45.8 | Very low | 49.6 | Very low | 91 Ų | 91 | 131.9 Ų | 131.9 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -67.2 | -25.5 | 173.1 | -56.4 | 0 | 0 | 0 | 0 | 114.4 | D436 | D436-S438 PolarHBondContact O-N 3.28Å |
| 439 | K | 47.7 | Very low | 49 | Very low | 147 Ų | 147 | 140.8 Ų | 140.8 | 64% | 0.639 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -83.9 | -10.9 | -178.9 | -75.4 | 175.9 | -175.8 | 150.9 | 0 | 114.1 | D436 S437 | D436-K439 HydrophobicContact CB-CB 4.14Å; D436-K439 HydrophobicContact CB-CD 3.92Å; D436-K439 HydrophobicContact CB-CG 4.06Å; D436-K439 PolarHBondContact O-N 3.28Å; D436-K439 VanDerWaalsContact O-N 3.13Å; D436-K439 WeakPolarHBondContact OD2-CD 3.01Å; D436-K439 WeakPolarHBondContact OD2-CE 3.41Å; D436-K439 IonicContact OD2-NZ 2.67Å; D436-K439 PolarHBondContact OD2-NZ 3.03Å; S437-K439 PolarHBondContact O-N 3.29Å |
| 440 | T | 46 | Very low | 48.5 | Very low | 99 Ų | 99 | 142.6 Ų | 142.6 | 61% | 0.607 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -96.9 | -26.3 | -179.8 | -41.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 441 | M | 49.3 | Very low | 48.2 | Very low | 147 Ų | 147 | 147.1 Ų | 147.1 | 72% | 0.724 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -71.7 | -42 | 174.5 | -90.9 | -175.3 | 63.5 | 0 | 0 | 113 | K443 M444 | M441-K443 PolarHBondContact O-N 3.3Å; M441-M444 PolarHBondContact O-N 3.36Å |
| 442 | E | 50.5 | Low | 48.1 | Very low | 165 Ų | 165 | 147.7 Ų | 147.7 | 77% | 0.771 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -17.4 | -175.5 | -128.1 | -171.6 | 150.8 | 0 | 0 | 113.9 | ||
| 443 | K | 52.4 | Low | 48.1 | Very low | 183 Ų | 183 | 147.5 Ų | 147.5 | 80% | 0.796 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -9.8 | 177.8 | -128.2 | 176.2 | -175.4 | 178.7 | 0 | 114.2 | M441 | M441-K443 PolarHBondContact O-N 3.3Š|
| 444 | M | 52.1 | Low | 48.8 | Very low | 143 Ų | 143 | 150.8 Ų | 150.8 | 70% | 0.704 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | -24.7 | -178.4 | -142.9 | 174.9 | -66.4 | 0 | 0 | 113.2 | M441 K446 | M441-M444 PolarHBondContact O-N 3.36Å; M444-K446 PolarHBondContact O-N 3.25Å |
| 445 | E | 54.1 | Low | 49.3 | Very low | 152 Ų | 152 | 153 Ų | 153 | 71% | 0.71 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -67.8 | -21.3 | 177.2 | -153.6 | 66.7 | -144.7 | 0 | 0 | 113 | H447 | E445-H447 VanDerWaalsContact C-N 3.33Å; E445-H447 PolarHBondContact O-N 3.32Å |
| 446 | K | 52.7 | Low | 49.8 | Very low | 194 Ų | 194 | 157.2 Ų | 157.2 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -85 | 2.7 | -173.6 | -125.6 | 172.8 | -172.8 | 171.1 | 0 | 115.4 | M444 | M444-K446 PolarHBondContact O-N 3.25Š|
| 447 | H | 56.6 | Low | 50.5 | Low | 183 Ų | 183 | 162.2 Ų | 162.2 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -116.2 | 13.5 | 179.3 | -108.9 | -64.6 | 0 | 0 | 0 | 114.4 | E445 | E445-H447 VanDerWaalsContact C-N 3.33Å; E445-H447 PolarHBondContact O-N 3.32Å |
| 448 | R | 51.2 | Low | 50.8 | Low | 229 Ų | 229 | 168 Ų | 168 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -127.5 | 80.7 | 177.5 | -167.3 | 174.8 | -176.4 | 157.5 | 0.8 | 111.3 | ||||
| 449 | K | 51.8 | Low | 51.3 | Low | 283 Ų | 283 | 175 Ų | 175 | 100% | 1.23 | 79% | 0.794 | S | S | * | * | trans | -144.3 | 0 | 169 | -123.1 | -175.8 | -177.4 | -177 | 0 | 110.1 |
Retrieved 449 of 449 residues in 443.9 ms
(Link to these results)