| 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 | 34.8 | Very low | 40.3 | Very low | 234 Ų | 234 | 157.6 Ų | 157.6 | 100% | 1.153 | 84% | 0.842 | S | S | * | * | 0 | 105.2 | 0 | -57.4 | -175.1 | -165.6 | 0 | 0 | 106 | |||||
| 2 | S | 37.7 | Very low | 40.5 | Very low | 102 Ų | 102 | 152 Ų | 152 | 71% | 0.713 | 82% | 0.824 | S | S | * | * | 65.6 | 128.2 | 77.5 | 63.1 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 3 | E | 37.9 | Very low | 41 | Very low | 143 Ų | 143 | 150 Ų | 150 | 67% | 0.668 | 83% | 0.829 | S | S | * | * | cis | -161.3 | 163 | 4.8 | -127.3 | -175 | 122.2 | 0 | 0 | 113.5 | ||||
| 4 | R | 43.9 | Very low | 41.8 | Very low | 206 Ų | 206 | 155.3 Ų | 155.3 | 78% | 0.777 | 83% | 0.83 | S | S | * | * | trans | 49.5 | 123.9 | 155.8 | -61.9 | 177.3 | -164.7 | -170.3 | 7.5 | 120.6 | ||||
| 5 | R | 44.6 | Very low | 42.4 | Very low | 228 Ų | 228 | 150.3 Ų | 150.3 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | -165.5 | 144 | 104.7 | -106 | 165.7 | -174.3 | -161.8 | 1 | 114 | |||||
| 6 | R | 40.2 | Very low | 42.8 | Very low | 231 Ų | 231 | 150.8 Ų | 150.8 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | trans | 62.4 | 85.2 | 163.6 | -61.7 | 179.5 | -179.2 | 172.1 | 0.2 | 117.8 | ||||
| 7 | S | 36 | Very low | 43.2 | Very low | 123 Ų | 123 | 145.6 Ų | 145.6 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 144.1 | 156 | -44.4 | 0 | 0 | 0 | 0 | 110.8 | ||
| 8 | A | 41.5 | Very low | 43.8 | Very low | 98 Ų | 98 | 148 Ų | 148 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 152.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | A10 | A8-A10 PolarHBondContact O-N 3.23Š|
| 9 | A | 40.1 | Very low | 43.9 | Very low | 98 Ų | 98 | 143.1 Ų | 143.1 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 119.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111 | L11 | A9-L11 PolarHBondContact O-N 3.47Š|
| 10 | A | 46.2 | Very low | 44.1 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 87% | 0.868 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 117 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | A8 | A8-A10 PolarHBondContact O-N 3.23Š|
| 11 | L | 40.4 | Very low | 44.5 | Very low | 166 Ų | 166 | 143.2 Ų | 143.2 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 146.3 | 171.3 | -71.3 | 172.4 | 0 | 0 | 0 | 110.6 | A9 | A9-L11 PolarHBondContact O-N 3.47Š|
| 12 | S | 43.3 | Very low | 45.4 | Very low | 90 Ų | 90 | 135.4 Ų | 135.4 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 144.6 | -172.3 | -176.7 | 0 | 0 | 0 | 0 | 113 | R14 | S12-R14 PolarHBondContact O-N 2.71Š|
| 13 | S | 46.3 | Very low | 46 | Very low | 126 Ų | 126 | 137.5 Ų | 137.5 | 88% | 0.881 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | 8.5 | 178.5 | 49.2 | 0 | 0 | 0 | 0 | 115.7 | ||
| 14 | R | 52 | Low | 47 | Very low | 224 Ų | 224 | 136.7 Ų | 136.7 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -3.8 | -179.8 | -154.4 | 168.9 | -173.7 | 155.8 | 2.6 | 114.1 | S12 | S12-R14 PolarHBondContact O-N 2.71Š|
| 15 | A | 51.4 | Low | 46.9 | Very low | 81 Ų | 81 | 129.9 Ų | 129.9 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -86.9 | -16.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 16 | H | 48.7 | Very low | 46.8 | Very low | 157 Ų | 157 | 124.1 Ų | 124.1 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | trans | -87.6 | -1.8 | -173.7 | -92.4 | -74 | 0 | 0 | 0 | 115.9 | F18 | H16-F18 PolarHBondContact O-N 3.06Å; H16-F18 VanDerWaalsContact O-N 3.08Å | ||
| 17 | A | 49.4 | Very low | 47.1 | Very low | 64 Ų | 64 | 121.4 Ų | 121.4 | 53% | 0.529 | 74% | 0.739 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74 | 4.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 18 | F | 54 | Low | 47.2 | Very low | 188 Ų | 188 | 124.7 Ų | 124.7 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.8 | 19.2 | -173.7 | -64.8 | -73.4 | 0 | 0 | 0 | 114.5 | H16 | H16-F18 PolarHBondContact O-N 3.06Å; H16-F18 VanDerWaalsContact O-N 3.08Å |
| 19 | S | 46.8 | Very low | 47.3 | Very low | 54 Ų | 54 | 130.1 Ų | 130.1 | 38% | 0.378 | 74% | 0.743 | S | S | . | * | trans | -78.9 | 140 | 167.1 | -60.7 | 0 | 0 | 0 | 0 | 110.7 | E21 A22 | S19-E21 VanDerWaalsContact C-N 3.26Å; S19-E21 PolarHBondContact O-N 3.29Å; S19-A22 WeakPolarHBondContact O-CB 3.24Å; S19-A22 PolarHBondContact O-N 2.93Å | ||
| 20 | V | 46.3 | Very low | 46.9 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 66% | 0.655 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -59.9 | -34 | -175.2 | 179.4 | 0 | 0 | 0 | 0 | 112.7 | A22 L23 I24 | V20-A22 PolarHBondContact O-N 3.15Å; V20-L23 PolarHBondContact O-N 3.19Å; V20-I24 HydrophobicContact CG1-CD1 3.9Å; V20-I24 HydrophobicContact CG1-CG1 4.4Å; V20-I24 PolarHBondContact O-N 3.14Å |
| 21 | E | 52.4 | Low | 46.2 | Very low | 181 Ų | 181 | 141.2 Ų | 141.2 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -61.5 | -20 | 174.5 | -65.3 | -178.2 | 112.6 | 0 | 0 | 113.9 | S19 | S19-E21 VanDerWaalsContact C-N 3.26Å; S19-E21 PolarHBondContact O-N 3.29Å |
| 22 | A | 54.2 | Low | 45.6 | Very low | 70 Ų | 70 | 140 Ų | 140 | 58% | 0.579 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -82.8 | -17.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S19 V20 | S19-A22 WeakPolarHBondContact O-CB 3.24Å; S19-A22 PolarHBondContact O-N 2.93Å; V20-A22 PolarHBondContact O-N 3.15Å |
| 23 | L | 50.3 | Low | 44.9 | Very low | 146 Ų | 146 | 146.8 Ų | 146.8 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -26.7 | 175.8 | -110.1 | 88.2 | 0 | 0 | 0 | 113.3 | V20 G25 | V20-L23 PolarHBondContact O-N 3.19Å; L23-G25 PolarHBondContact O-N 3.4Å |
| 24 | I | 58.3 | Low | 43.9 | Very low | 126 Ų | 126 | 144.1 Ų | 144.1 | 65% | 0.646 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -96.6 | 84.3 | 179.7 | -53.9 | -179.4 | 0 | 0 | 0 | 109 | V20 S26 | V20-I24 HydrophobicContact CG1-CD1 3.9Å; V20-I24 HydrophobicContact CG1-CG1 4.4Å; V20-I24 PolarHBondContact O-N 3.14Å; I24-S26 PolarHBondContact O-N 2.95Å |
| 25 | G | 42.9 | Very low | 42.7 | Very low | 64 Ų | 64 | 146.3 Ų | 146.3 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | trans | -54.2 | 129.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L23 N27 | L23-G25 PolarHBondContact O-N 3.4Å; G25-N27 PolarHBondContact O-N 3.18Å | ||
| 26 | S | 42.5 | Very low | 41.7 | Very low | 107 Ų | 107 | 151.1 Ų | 151.1 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | -73.3 | 118.5 | -172.2 | 49.1 | 0 | 0 | 0 | 0 | 112.8 | I24 K28 | I24-S26 PolarHBondContact O-N 2.95Å; S26-K28 PolarHBondContact O-N 3.16Å | ||
| 27 | N | 46 | Very low | 40.8 | Very low | 173 Ų | 173 | 152.3 Ų | 152.3 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | trans | -68.9 | 82.2 | -178 | -98.9 | -49.1 | 0 | 0 | 0 | 113 | G25 K29 | G25-N27 PolarHBondContact O-N 3.18Å; N27-K29 PolarHBondContact O-N 2.84Å | ||
| 28 | K | 39.3 | Very low | 39.8 | Very low | 192 Ų | 192 | 158.2 Ų | 158.2 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | -88.5 | 99 | 170.3 | -85.5 | -175.7 | 175.9 | 175.1 | 0 | 111.9 | S26 R30 | S26-K28 PolarHBondContact O-N 3.16Å; K28-R30 PolarHBondContact O-N 3.42Å | ||
| 29 | K | 43.3 | Very low | 38.5 | Very low | 213 Ų | 213 | 156.9 Ų | 156.9 | 93% | 0.926 | 78% | 0.778 | S | S | * | * | trans | -39.6 | 129.5 | 161.5 | -93 | 174.2 | 172.2 | 169.3 | 0 | 111.4 | N27 | N27-K29 PolarHBondContact O-N 2.84Š| ||
| 30 | R | 31.2 | Very low | 37.8 | Very low | 250 Ų | 250 | 162.3 Ų | 162.3 | 94% | 0.943 | 80% | 0.802 | S | S | * | * | trans | -135.6 | 140.8 | 152.2 | -158 | 177.2 | -63.3 | -177.4 | 3.2 | 108 | K28 | K28-R30 PolarHBondContact O-N 3.42Š| ||
| 31 | K | 30.4 | Very low | 36.8 | Very low | 186 Ų | 186 | 165.7 Ų | 165.7 | 81% | 0.809 | 81% | 0.81 | S | S | * | * | trans | -131.6 | 131 | -164.2 | -165.9 | -162.7 | 178.6 | -173.4 | 0 | 110.8 | ||||
| 32 | L | 28.2 | Very low | 35.7 | Very low | 140 Ų | 140 | 164.1 Ų | 164.1 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | trans | 71.5 | 157.2 | 159.3 | -135.2 | 74.8 | 0 | 0 | 0 | 119.6 | ||||
| 33 | R | 28 | Very low | 34.4 | Very low | 232 Ų | 232 | 165.7 Ų | 165.7 | 88% | 0.875 | 81% | 0.814 | S | S | * | * | trans | 70.5 | 115.8 | 174 | -51.7 | -166.8 | -166.3 | -81.4 | 5.8 | 115.5 | ||||
| 34 | G | 26.2 | Very low | 33.4 | Very low | 70 Ų | 70 | 165.9 Ų | 165.9 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | cis | 140.5 | 135.3 | -17.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 35 | W | 27.3 | Very low | 31.9 | Very low | 270 Ų | 270 | 167.3 Ų | 167.3 | 100% | 1.023 | 82% | 0.816 | S | S | * | * | trans | -136.4 | 150.2 | 153.9 | -88.6 | -24.5 | 0 | 0 | 0 | 107.6 | ||||
| 36 | E | 29.2 | Very low | 31.2 | Very low | 183 Ų | 183 | 169.2 Ų | 169.2 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | trans | -139.9 | 173.1 | -171.7 | -166.7 | 168.8 | 172.9 | 0 | 0 | 107.7 | ||||
| 37 | E | 30.1 | Very low | 30.7 | Very low | 182 Ų | 182 | 172.2 Ų | 172.2 | 85% | 0.85 | 83% | 0.827 | S | S | * | * | trans | 76.9 | 140.3 | 179.9 | -52.4 | -167.7 | 124.2 | 0 | 0 | 117.6 | ||||
| 38 | K | 28.5 | Very low | 29.9 | Very low | 187 Ų | 187 | 167.9 Ų | 167.9 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | trans | 66.4 | 121.4 | -180 | -57.2 | -164 | 173 | -156.6 | 0 | 116.7 | ||||
| 39 | E | 26.7 | Very low | 29.4 | Very low | 160 Ų | 160 | 164.3 Ų | 164.3 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | cis | -157.8 | 135.3 | -6.4 | -143.1 | 159 | 104 | 0 | 0 | 109.1 | ||||
| 40 | L | 32.7 | Very low | 28.7 | Very low | 169 Ų | 169 | 161.4 Ų | 161.4 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | trans | -151.5 | 153.5 | 172.9 | -82.1 | -178 | 0 | 0 | 0 | 108.6 | ||||
| 41 | E | 25.8 | Very low | 28.6 | Very low | 178 Ų | 178 | 152.3 Ų | 152.3 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | 64 | 135.8 | -173.9 | -87.6 | 176 | -151.3 | 0 | 0 | 112.3 | ||||
| 42 | L | 28.7 | Very low | 28.6 | Very low | 149 Ų | 149 | 153.4 Ų | 153.4 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | cis | -159.5 | 177.2 | 26.5 | -100.9 | 142.6 | 0 | 0 | 0 | 107.6 | ||||
| 43 | S | 27 | Very low | 28.8 | Very low | 103 Ų | 103 | 153.7 Ų | 153.7 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | cis | -154.3 | 174.8 | -8.3 | -173 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 44 | M | 28.9 | Very low | 29.8 | Very low | 150 Ų | 150 | 148 Ų | 148 | 74% | 0.739 | 79% | 0.791 | S | S | * | * | trans | -82.8 | 157.5 | 156.6 | -170.5 | 159.6 | 63.5 | 0 | 0 | 111.5 | ||||
| 45 | E | 27.5 | Very low | 30.2 | Very low | 155 Ų | 155 | 148.3 Ų | 148.3 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | trans | 79.3 | 139.9 | 159.3 | -127.6 | 84 | 115.1 | 0 | 0 | 123.2 | ||||
| 46 | S | 28.2 | Very low | 30.5 | Very low | 105 Ų | 105 | 144.1 Ų | 144.1 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | 69.1 | 148.9 | 159 | 72 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 47 | L | 30.8 | Very low | 30.4 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | cis | -169.9 | 156.2 | -15.7 | -99.5 | 169.4 | 0 | 0 | 0 | 104.2 | ||||
| 48 | A | 30.5 | Very low | 30.8 | Very low | 82 Ų | 82 | 138.9 Ų | 138.9 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | cis | -160.2 | -170.9 | -8.8 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 49 | T | 28.8 | Very low | 30.8 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 71% | 0.712 | 77% | 0.767 | S | S | * | * | cis | -131.1 | -158.4 | 2.3 | 55.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 50 | D | 28.9 | Very low | 31.1 | Very low | 153 Ų | 153 | 136.6 Ų | 136.6 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | cis | -152.4 | 170.6 | -2.2 | -105.2 | -48.9 | 0 | 0 | 0 | 106 | ||||
| 51 | G | 29.2 | Very low | 31.1 | Very low | 58 Ų | 58 | 134.9 Ų | 134.9 | 60% | 0.598 | 76% | 0.758 | S | S | * | * | cis | -179.9 | 178.3 | -1.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 52 | E | 29.7 | Very low | 32.2 | Very low | 209 Ų | 209 | 131.7 Ų | 131.7 | 98% | 0.977 | 75% | 0.752 | S | S | * | * | trans | 72.1 | 115.6 | 176 | -53.7 | -163.8 | 124.4 | 0 | 0 | 119.3 | ||||
| 53 | D | 32.8 | Very low | 32.2 | Very low | 147 Ų | 147 | 131.1 Ų | 131.1 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | trans | -149.7 | 167.5 | 172.8 | -163.9 | 48.5 | 0 | 0 | 0 | 104.1 | ||||
| 54 | P | 49.1 | Very low | 32.6 | Very low | 111 Ų | 111 | 131 Ų | 131 | 72% | 0.721 | 75% | 0.749 | S | S | * | * | cis | -142.6 | -160.1 | 29.5 | 43.9 | -19.4 | 0 | 0 | 0 | 113.2 | ||||
| 55 | A | 33.2 | Very low | 32.9 | Very low | 78 Ų | 78 | 132.5 Ų | 132.5 | 65% | 0.645 | 76% | 0.755 | S | S | * | * | cis | -155.8 | 139.7 | 5.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 56 | H | 33.8 | Very low | 33.2 | Very low | 181 Ų | 181 | 128.4 Ų | 128.4 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | 50.9 | -176.9 | 123.2 | -92.7 | -83.8 | 0 | 0 | 0 | 123.4 | |||||
| 57 | C | 28.1 | Very low | 33.8 | Very low | 92 Ų | 92 | 129 Ų | 129 | 62% | 0.622 | 75% | 0.751 | S | S | * | * | trans | -155.5 | 157.6 | -140.4 | 61.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 58 | L | 37.1 | Very low | 34.8 | Very low | 164 Ų | 164 | 127.1 Ų | 127.1 | 86% | 0.859 | 75% | 0.749 | S | S | * | * | trans | 58.1 | 125.9 | 161 | -57.6 | 174.5 | 0 | 0 | 0 | 118.7 | ||||
| 59 | D | 28.4 | Very low | 34.8 | Very low | 151 Ų | 151 | 126.5 Ų | 126.5 | 81% | 0.807 | 75% | 0.751 | S | S | * | * | -171.3 | -161.1 | 103.4 | -139.6 | -87.3 | 0 | 0 | 0 | 112.1 | |||||
| 60 | M | 33 | Very low | 35.1 | Very low | 147 Ų | 147 | 126 Ų | 126 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | trans | -81.1 | 171.6 | -160.2 | -64.5 | -110.7 | 64.7 | 0 | 0 | 119.7 | ||||
| 61 | D | 34.6 | Very low | 35.5 | Very low | 134 Ų | 134 | 126.1 Ų | 126.1 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | trans | -32.4 | 164.3 | 163.6 | -69.7 | -91.3 | 0 | 0 | 0 | 118.3 | ||||
| 62 | P | 48.7 | Very low | 35.8 | Very low | 110 Ų | 110 | 127.1 Ų | 127.1 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | cis | -150.3 | -179.2 | 31 | 44.4 | -23.5 | 0 | 0 | 0 | 120.3 | ||||
| 63 | D | 28.1 | Very low | 36.1 | Very low | 138 Ų | 138 | 127.2 Ų | 127.2 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | 71.5 | 113 | 141.8 | -98.3 | -51.5 | 0 | 0 | 0 | 125.2 | ||||
| 64 | S | 34.9 | Very low | 36.1 | Very low | 99 Ų | 99 | 124 Ų | 124 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | 73.9 | 161.6 | 124.4 | -71.7 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 65 | E | 34.7 | Very low | 35.4 | Very low | 183 Ų | 183 | 127.1 Ų | 127.1 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | 72.1 | 139.5 | 173.9 | -59 | -68.9 | 78.2 | 0 | 0 | 119.1 | ||||
| 66 | A | 35.1 | Very low | 35.5 | Very low | 69 Ų | 69 | 127.5 Ų | 127.5 | 57% | 0.57 | 78% | 0.778 | S | S | * | * | cis | -167.5 | 143.8 | -18.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 67 | S | 40.1 | Very low | 35.4 | Very low | 116 Ų | 116 | 126.2 Ų | 126.2 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | trans | 58.9 | 172.3 | 147.4 | -61.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 68 | P | 52.9 | Low | 35.9 | Very low | 132 Ų | 132 | 131.4 Ų | 131.4 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | cis | -118.8 | 175.2 | -22.1 | 27.6 | -7.8 | 0 | 0 | 0 | 112.7 | ||||
| 69 | G | 29.4 | Very low | 35.8 | Very low | 68 Ų | 68 | 129.8 Ų | 129.8 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | cis | 157.3 | 173.7 | -3.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 70 | S | 35.9 | Very low | 36.1 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | 69.7 | 141.9 | 168.2 | -170.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 71 | D | 36.3 | Very low | 36.2 | Very low | 155 Ų | 155 | 125.9 Ų | 125.9 | 83% | 0.829 | 77% | 0.774 | S | S | * | * | cis | -165.5 | 162.5 | -25.4 | -89.1 | -41.7 | 0 | 0 | 0 | 108.6 | ||||
| 72 | G | 35.2 | Very low | 36.3 | Very low | 78 Ų | 78 | 125.9 Ų | 125.9 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 143.2 | 110 | 159.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 73 | E | 37.1 | Very low | 35.8 | Very low | 211 Ų | 211 | 130.9 Ų | 130.9 | 99% | 0.986 | 80% | 0.795 | S | S | * | * | trans | -92.3 | 161.3 | 174.2 | -61.4 | -168.3 | 114.2 | 0 | 0 | 113.6 | ||||
| 74 | G | 32.3 | Very low | 36 | Very low | 81 Ų | 81 | 127.6 Ų | 127.6 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | -169 | 119.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 75 | L | 34.5 | Very low | 36.4 | Very low | 175 Ų | 175 | 128.2 Ų | 128.2 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | trans | -112.4 | 147.9 | -171.2 | -160.2 | 83.3 | 0 | 0 | 0 | 112.5 | ||||
| 76 | A | 34.9 | Very low | 37.2 | Very low | 87 Ų | 87 | 125.6 Ų | 125.6 | 72% | 0.719 | 80% | 0.797 | S | S | * | * | trans | 69.4 | 168.6 | 166 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 77 | E | 32.7 | Very low | 37.8 | Very low | 153 Ų | 153 | 126.5 Ų | 126.5 | 72% | 0.715 | 81% | 0.805 | S | S | * | * | cis | -150.8 | 141.9 | 6.2 | -154.6 | -169.9 | 119.7 | 0 | 0 | 112.8 | ||||
| 78 | R | 38.5 | Very low | 37.9 | Very low | 201 Ų | 201 | 127.7 Ų | 127.7 | 76% | 0.758 | 80% | 0.802 | S | S | * | * | trans | 30.7 | 163.9 | 147.7 | -66 | 159.9 | 128.8 | -111 | -0.2 | 123.3 | ||||
| 79 | T | 34.1 | Very low | 37.4 | Very low | 131 Ų | 131 | 128.5 Ų | 128.5 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | 83.1 | 135.6 | 154.5 | -28.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 80 | S | 35 | Very low | 38.1 | Very low | 104 Ų | 104 | 129.5 Ų | 129.5 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | cis | -156.3 | 175.5 | -18.7 | -173.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 81 | C | 35.3 | Very low | 38.5 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 76% | 0.757 | 80% | 0.804 | S | S | * | * | trans | -65.6 | 154.9 | 177.6 | 57.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 82 | S | 35.8 | Very low | 38.6 | Very low | 133 Ų | 133 | 126.5 Ų | 126.5 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | trans | -151.7 | 153.8 | 151.6 | -85.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 83 | F | 38.1 | Very low | 39 | Very low | 215 Ų | 215 | 127.6 Ų | 127.6 | 94% | 0.943 | 80% | 0.801 | S | S | * | * | trans | -86.9 | 142.7 | -163.5 | 175.5 | -88.9 | 0 | 0 | 0 | 112.6 | ||||
| 84 | G | 33.2 | Very low | 39.1 | Very low | 69 Ų | 69 | 122.8 Ų | 122.8 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | 171.6 | 81.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 85 | S | 44.3 | Very low | 39.5 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | -78.8 | 152.9 | 154.9 | -54.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 86 | P | 50.8 | Low | 40 | Very low | 127 Ų | 127 | 122.1 Ų | 122.1 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | -128.6 | 174 | 94 | 37.8 | -31.9 | 0 | 0 | 0 | 113.7 | |||||
| 87 | A | 47.6 | Very low | 40.7 | Very low | 89 Ų | 89 | 122.6 Ų | 122.6 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | -61 | 158.9 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 88 | D | 41.2 | Very low | 41.3 | Very low | 141 Ų | 141 | 121.1 Ų | 121.1 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | -164.7 | 178.2 | 57.4 | -162.4 | 1.6 | 0 | 0 | 0 | 112.2 | |||||
| 89 | L | 43.4 | Very low | 41.8 | Very low | 149 Ų | 149 | 116.4 Ų | 116.4 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | trans | 64.9 | 86.1 | 164.5 | -52.1 | -178.5 | 0 | 0 | 0 | 118 | ||||
| 90 | A | 43.2 | Very low | 42.9 | Very low | 88 Ų | 88 | 110.9 Ų | 110.9 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | 162.2 | 117.8 | 111.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G92 | A90-G92 PolarHBondContact O-N 3.1Š| |||
| 91 | P | 45 | Very low | 44.5 | Very low | 129 Ų | 129 | 108.5 Ų | 108.5 | 84% | 0.838 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 117.5 | 153.3 | 30 | -29.2 | 0 | 0 | 0 | 107.5 | A93 | P91-A93 PolarHBondContact O-N 3.37Š|
| 92 | G | 39.2 | Very low | 46.6 | Very low | 71 Ų | 71 | 104.2 Ų | 104.2 | 73% | 0.732 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 134.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | A90 C94 | A90-G92 PolarHBondContact O-N 3.1Å; G92-C94 PolarHBondContact O-N 3.31Å; G92-C94 VanDerWaalsContact O-N 3.1Å |
| 93 | A | 42 | Very low | 48.5 | Very low | 101 Ų | 101 | 105.9 Ų | 105.9 | 84% | 0.835 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -55 | 121 | -176.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | P91 D95 | P91-A93 PolarHBondContact O-N 3.37Å; A93-D95 PolarHBondContact O-N 3.46Å |
| 94 | C | 39.6 | Very low | 50.9 | Low | 110 Ų | 110 | 101.3 Ų | 101.3 | 74% | 0.743 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 134.9 | 160.1 | 43.9 | 0 | 0 | 0 | 0 | 107.6 | G92 A96 | G92-C94 PolarHBondContact O-N 3.31Å; G92-C94 VanDerWaalsContact O-N 3.1Å; C94-A96 PolarHBondContact O-N 3.34Å |
| 95 | D | 41 | Very low | 53.9 | Low | 162 Ų | 162 | 98.2 Ų | 98.2 | 87% | 0.866 | 64% | 0.64 | S | S | * | * | trans | -60.1 | 104.1 | 176.4 | -174.5 | 24.6 | 0 | 0 | 0 | 108 | A93 S97 | A93-D95 PolarHBondContact O-N 3.46Å; D95-S97 VanDerWaalsContact C-N 3.32Å; D95-S97 PolarHBondContact O-N 2.94Å | ||
| 96 | A | 44.2 | Very low | 56.4 | Low | 80 Ų | 80 | 99.3 Ų | 99.3 | 66% | 0.661 | 63% | 0.633 | S | S | * | * | trans | -76.4 | 92.1 | -173 | 0 | 0 | 0 | 0 | 0 | 107.3 | C94 P98 | C94-A96 PolarHBondContact O-N 3.34Å; A96-P98 VanDerWaalsContact O-N 3.09Å | ||
| 97 | S | 49.9 | Very low | 58.6 | Low | 97 Ų | 97 | 94 Ų | 94 | 68% | 0.678 | 60% | 0.598 | S | S | * | * | trans | -33.1 | 117.3 | 172.6 | 56.5 | 0 | 0 | 0 | 0 | 109.4 | D95 S99 | D95-S97 VanDerWaalsContact C-N 3.32Å; D95-S97 PolarHBondContact O-N 2.94Å; S97-S99 PolarHBondContact O-N 2.91Å | ||
| 98 | P | 45.5 | Very low | 61 | Low | 121 Ų | 121 | 94.7 Ų | 94.7 | 79% | 0.786 | 59% | 0.586 | S | S | * | * | trans | -55.7 | 115.3 | -164.9 | 19.8 | -32.4 | 0 | 0 | 0 | 108.9 | A96 A100 | A96-P98 VanDerWaalsContact O-N 3.09Å; P98-A100 VanDerWaalsContact C-N 3.33Å; P98-A100 PolarHBondContact O-N 3.18Å | ||
| 99 | S | 48.7 | Very low | 63.7 | Low | 102 Ų | 102 | 88.4 Ų | 88.4 | 71% | 0.713 | 55% | 0.552 | S | S | * | * | trans | -66.5 | 94.7 | -175.5 | 43.5 | 0 | 0 | 0 | 0 | 108.1 | S97 S101 | S97-S99 PolarHBondContact O-N 2.91Å; S99-S101 PolarHBondContact O-N 2.86Å | ||
| 100 | A | 57.7 | Low | 66.3 | Low | 15 Ų | 15 | 83.5 Ų | 83.5 | 12% | 0.124 | 53% | 0.525 | C | S | . | . | trans | -48 | 107.8 | -158.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | P98 D146 | P98-A100 VanDerWaalsContact C-N 3.33Å; P98-A100 PolarHBondContact O-N 3.18Å; A100-D146 HydrophobicContact CB-CB 4.12Å | ||
| 101 | S | 69.3 | Low | 68.8 | Low | 54 Ų | 54 | 83.5 Ų | 83.5 | 38% | 0.378 | 52% | 0.519 | S | S | . | . | trans | -66.7 | 147.9 | -172 | 75.5 | 0 | 0 | 0 | 0 | 108.1 | S99 E103 E104 | S99-S101 PolarHBondContact O-N 2.86Å; S101-E103 PolarHBondContact O-N 2.96Å; S101-E103 WeakPolarHBondContact OG-CB 3.35Å; S101-E104 PolarHBondContact O-N 3.35Å | ||
| 102 | M | 79.6 | Confident | 71.2 | Confident | 22 Ų | 22 | 78.3 Ų | 78.3 | 11% | 0.108 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -22 | 178.5 | -66.6 | -71 | -70.5 | 0 | 0 | 111.1 | E104 I105 Y151 R240 E257 G258 K260 | M102-E104 PolarHBondContact O-N 3.02Å; M102-I105 HydrophobicContact CB-CD1 4.32Å; M102-I105 HydrophobicContact CE-CD1 3.8Å; M102-I105 HydrophobicContact CG-CD1 4.5Å; M102-I105 PolarHBondContact O-N 2.63Å; M102-I105 HydrophobicContact SD-CD1 3.47Å; M102-I105 WeakPolarHBondContact SD-CD1 3.47Å; M102-Y151 HydrophobicContact SD-CE1 4.11Å; M102-R240 HydrophobicContact CE-CG 4.31Å; M102-R240 WeakPolarHBondContact SD-CD 3.46Å; M102-R240 HydrophobicContact SD-CG 3.67Å; M102-E257 WeakPolarHBondContact CG-O 3.14Å; M102-G258 WeakPolarHBondContact CE-O 3.35Å; M102-K260 HydrophobicContact CE-CB 4.13Å; M102-K260 WeakPolarHBondContact O-CD 3.43Å; M102-K260 WeakPolarHBondContact O-CE 3.45Å; M102-K260 PolarHBondContact O-NZ 2.91Å |
| 103 | E | 76.1 | Confident | 74 | Confident | 169 Ų | 169 | 80 Ų | 80 | 79% | 0.79 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -35.8 | 176.1 | -51.3 | -173.9 | 130.3 | 0 | 0 | 113.6 | S101 I105 K260 | S101-E103 PolarHBondContact O-N 2.96Å; S101-E103 WeakPolarHBondContact OG-CB 3.35Å; E103-I105 PolarHBondContact O-N 3.12Å; E103-K260 VanDerWaalsContact C-NZ 3.26Å; E103-K260 PolarHBondContact O-NZ 3.27Å |
| 104 | E | 88.6 | Confident | 76.7 | Confident | 119 Ų | 119 | 76.9 Ų | 76.9 | 56% | 0.556 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -27.1 | -177.9 | -171.6 | 172.6 | -171.4 | 0 | 0 | 113.2 | S101 M102 Q106 | S101-E104 PolarHBondContact O-N 3.35Å; M102-E104 PolarHBondContact O-N 3.02Å; E104-Q106 WeakPolarHBondContact O-CG 3.31Å; E104-Q106 PolarHBondContact O-N 3.27Å |
| 105 | I | 95 | Very high | 79.5 | Confident | 3 Ų | 3 | 71.7 Ų | 71.7 | 2% | 0.015 | 41% | 0.413 | C | S | . | . | trans | -55.4 | 124.4 | -173.5 | -56.1 | 168.6 | 0 | 0 | 0 | 112.1 | M102 E103 I142 A143 G144 L145 Y151 I238 K260 F262 | M102-I105 HydrophobicContact CB-CD1 4.32Å; M102-I105 HydrophobicContact CE-CD1 3.8Å; M102-I105 HydrophobicContact CG-CD1 4.5Å; M102-I105 PolarHBondContact O-N 2.63Å; M102-I105 HydrophobicContact SD-CD1 3.47Å; M102-I105 WeakPolarHBondContact SD-CD1 3.47Å; E103-I105 PolarHBondContact O-N 3.12Å; I105-I142 HydrophobicContact CG2-CG2 4.29Å; I105-A143 CarbonylContact C-O 3.6Å; I105-A143 WeakPolarHBondContact CA-O 3.02Å; I105-G144 WeakPolarHBondContact CG1-O 3.26Å; I105-L145 HydrophobicContact CD1-CD2 3.74Å; I105-L145 HydrophobicContact CG1-CD2 3.89Å; I105-L145 HydrophobicContact CG2-CD2 3.83Å; I105-Y151 HydrophobicContact CD1-CE1 4.43Å; I105-I238 HydrophobicContact CD1-CG2 4.33Å; I105-I238 HydrophobicContact CG2-CD1 3.69Å; I105-K260 HydrophobicContact CB-CD 4.19Å; I105-K260 PolarHBondContact O-NZ 3.36Å; I105-F262 HydrophobicContact CB-CZ 4.42Å; I105-F262 HydrophobicContact CG2-CE2 4.36Å; I105-F262 HydrophobicContact CG2-CZ 4.01Å; I105-F262 WeakPolarHBondContact O-CZ 3.31Å | ||
| 106 | Q | 96 | Very high | 82.2 | Confident | 137 Ų | 137 | 68.3 Ų | 68.3 | 64% | 0.64 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 146.1 | 176.7 | -59.7 | -179.6 | 25.9 | 0 | 0 | 111.3 | E104 I142 A143 | E104-Q106 WeakPolarHBondContact O-CG 3.31Å; E104-Q106 PolarHBondContact O-N 3.27Å; Q106-I142 WeakPolarHBondContact O-CA 3.49Å; Q106-A143 PolarHBondContact N-O 3.08Å; Q106-A143 PolarHBondContact O-N 2.72Å |
| 107 | V | 97.8 | Very high | 84.8 | Confident | 16 Ų | 16 | 70.4 Ų | 70.4 | 10% | 0.097 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 121.6 | 178.9 | -175.4 | 0 | 0 | 0 | 0 | 109.8 | V140 K141 I142 I238 F262 F264 | V107-V140 HydrophobicContact CG1-CB 3.6Å; V107-V140 HydrophobicContact CG1-CG1 3.74Å; V107-V140 HydrophobicContact CG1-CG2 4.03Å; V107-K141 WeakPolarHBondContact CA-O 3.34Å; V107-I142 HydrophobicContact CG1-CG1 4.37Å; V107-I142 HydrophobicContact CG2-CG1 4.28Å; V107-I142 HydrophobicContact CG2-CG2 4.35Å; V107-I238 HydrophobicContact CG2-CD1 3.56Å; V107-F262 HydrophobicContact CB-CB 4.36Å; V107-F262 HydrophobicContact CB-CD1 3.79Å; V107-F262 HydrophobicContact CB-CD2 4.19Å; V107-F262 HydrophobicContact CB-CE1 4.05Å; V107-F262 HydrophobicContact CB-CE2 4.43Å; V107-F262 HydrophobicContact CB-CG 3.86Å; V107-F262 HydrophobicContact CB-CZ 4.35Å; V107-F262 HydrophobicContact CG2-CD1 3.85Å; V107-F262 HydrophobicContact CG2-CD2 3.55Å; V107-F262 HydrophobicContact CG2-CE1 3.75Å; V107-F262 HydrophobicContact CG2-CE2 3.45Å; V107-F262 VanDerWaalsContact CG2-CE2 3.45Å; V107-F262 HydrophobicContact CG2-CG 3.74Å; V107-F262 HydrophobicContact CG2-CZ 3.54Å; V107-F264 HydrophobicContact CB-CZ 4.45Å; V107-F264 HydrophobicContact CG1-CE2 4.42Å; V107-F264 HydrophobicContact CG1-CZ 4.03Å; V107-F264 WeakPolarHBondContact O-CZ 3.35Å |
| 108 | E | 98.1 | Very high | 87.1 | Confident | 102 Ų | 102 | 65.8 Ų | 65.8 | 48% | 0.477 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 121.1 | -174.5 | -173.1 | -154.4 | 146.4 | 0 | 0 | 110.5 | Q110 V140 K141 | E108-Q110 PolarHBondContact O-N 2.76Å; E108-Q110 PolarHBondContact OE1-NE2 3.27Å; E108-Q110 PolarHBondContact OE2-NE2 2.9Å; E108-V140 VanDerWaalsContact O-CA 3.29Å; E108-V140 WeakPolarHBondContact O-CA 3.46Å; E108-K141 HydrophobicContact CB-CB 4.35Å; E108-K141 PolarHBondContact N-O 3.37Å; E108-K141 PolarHBondContact O-N 3.35Å |
| 109 | L | 98.3 | Very high | 89.6 | Confident | 10 Ų | 10 | 63.8 Ų | 63.8 | 5% | 0.052 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 111.7 | 177.1 | 179.7 | 67.4 | 0 | 0 | 0 | 111.4 | A112 W115 M138 F264 E266 T267 | L109-A112 HydrophobicContact CD2-CB 4.26Å; L109-A112 HydrophobicContact CG-CB 4.42Å; L109-A112 PolarHBondContact O-N 3.31Å; L109-W115 HydrophobicContact CD2-CB 4.2Å; L109-W115 HydrophobicContact CD2-CG 4.08Å; L109-M138 HydrophobicContact CD1-CG 4.27Å; L109-F264 HydrophobicContact CB-CD1 3.79Å; L109-F264 HydrophobicContact CB-CD2 4.08Å; L109-F264 HydrophobicContact CB-CE1 3.84Å; L109-F264 HydrophobicContact CB-CE2 4.13Å; L109-F264 HydrophobicContact CB-CG 3.92Å; L109-F264 HydrophobicContact CB-CZ 4.02Å; L109-F264 HydrophobicContact CD1-CD2 4.14Å; L109-F264 HydrophobicContact CD1-CE2 4.49Å; L109-F264 HydrophobicContact CD2-CB 3.96Å; L109-F264 HydrophobicContact CD2-CD1 4.49Å; L109-F264 HydrophobicContact CD2-CG 4.08Å; L109-F264 HydrophobicContact CG-CD2 4.48Å; L109-F264 HydrophobicContact CG-CG 4.39Å; L109-E266 HydrophobicContact CD2-CG 3.72Å; L109-T267 HydrophobicContact CD1-CG2 4.01Å; L109-T267 HydrophobicContact CD2-CG2 3.54Å; L109-T267 HydrophobicContact CG-CG2 4.45Å |
| 110 | Q | 97.9 | Very high | 91.9 | Very high | 45 Ų | 45 | 64.9 Ų | 64.9 | 21% | 0.21 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 140.4 | -180 | -66.2 | -61.4 | -58.1 | 0 | 0 | 111.6 | E108 A112 R139 K141 V205 | E108-Q110 PolarHBondContact O-N 2.76Å; E108-Q110 PolarHBondContact OE1-NE2 3.27Å; E108-Q110 PolarHBondContact OE2-NE2 2.9Å; Q110-A112 VanDerWaalsContact C-N 3.31Å; Q110-A112 PolarHBondContact O-N 2.81Å; Q110-R139 HydrophobicContact CB-CB 3.91Å; Q110-R139 PolarHBondContact N-O 2.99Å; Q110-K141 HydrophobicContact CG-CB 4.19Å; Q110-V205 HydrophobicContact CB-CG1 4.26Å; Q110-V205 HydrophobicContact CG-CG1 3.79Å; Q110-V205 HydrophobicContact CG-CG2 3.88Å |
| 111 | C | 94.8 | Very high | 93.8 | Very high | 88 Ų | 88 | 66.7 Ų | 66.7 | 60% | 0.595 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 35.8 | -171.6 | -58.4 | 0 | 0 | 0 | 0 | 114 | D113 L114 W115 | C111-D113 PolarHBondContact O-N 3.29Å; C111-D113 VanDerWaalsContact O-N 3.13Å; C111-L114 HydrophobicContact CB-CB 4.48Å; C111-L114 WeakPolarHBondContact O-CB 3.4Å; C111-L114 PolarHBondContact O-N 3.24Å; C111-W115 PolarHBondContact O-N 2.81Å |
| 112 | A | 96.6 | Very high | 95.1 | Very high | 21 Ų | 21 | 65.2 Ų | 65.2 | 17% | 0.174 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -49.9 | -37.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L109 Q110 L114 W115 K116 | L109-A112 HydrophobicContact CD2-CB 4.26Å; L109-A112 HydrophobicContact CG-CB 4.42Å; L109-A112 PolarHBondContact O-N 3.31Å; Q110-A112 VanDerWaalsContact C-N 3.31Å; Q110-A112 PolarHBondContact O-N 2.81Å; A112-L114 PolarHBondContact O-N 3.42Å; A112-W115 CarbonylContact O-C 3.6Å; A112-W115 WeakPolarHBondContact O-CA 3.41Å; A112-W115 WeakPolarHBondContact O-CB 3.21Å; A112-W115 PolarHBondContact O-N 3.41Å; A112-K116 WeakPolarHBondContact O-CG 3.43Å; A112-K116 PolarHBondContact O-N 3.37Å |
| 113 | D | 97.8 | Very high | 96 | Very high | 105 Ų | 105 | 64.3 Ų | 64.3 | 56% | 0.561 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -65 | -20.1 | 178.2 | -61.2 | -20.5 | 0 | 0 | 0 | 114.6 | C111 R117 | C111-D113 PolarHBondContact O-N 3.29Å; C111-D113 VanDerWaalsContact O-N 3.13Å; D113-R117 WeakPolarHBondContact O-CD 3.32Å; D113-R117 WeakPolarHBondContact O-CG 3.36Å; D113-R117 PolarHBondContact O-NE 2.98Å |
| 114 | L | 97.8 | Very high | 97.1 | Very high | 36 Ų | 36 | 56.3 Ų | 56.3 | 19% | 0.188 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -81 | -38.1 | 170.6 | -177 | 62.4 | 0 | 0 | 0 | 110.7 | C111 A112 F118 F135 P136 R287 | C111-L114 HydrophobicContact CB-CB 4.48Å; C111-L114 WeakPolarHBondContact O-CB 3.4Å; C111-L114 PolarHBondContact O-N 3.24Å; A112-L114 PolarHBondContact O-N 3.42Å; L114-F118 HydrophobicContact CD1-CD2 4.3Å; L114-F118 HydrophobicContact CD1-CE2 3.91Å; L114-F118 HydrophobicContact CG-CD2 4.29Å; L114-F118 HydrophobicContact CG-CE2 4.12Å; L114-F118 VanDerWaalsContact O-CD2 3.26Å; L114-F118 WeakPolarHBondContact O-CD2 3.48Å; L114-F118 PolarHBondContact O-N 2.88Å; L114-F135 HydrophobicContact CD2-CZ 4.21Å; L114-P136 HydrophobicContact CD2-CB 4.14Å; L114-P136 HydrophobicContact CD2-CG 3.9Å; L114-P136 HydrophobicContact CG-CG 3.86Å; L114-R287 HydrophobicContact CD1-CB 3.98Å; L114-R287 HydrophobicContact CD1-CG 3.82Å |
| 115 | W | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.7 | -48.6 | 174.2 | -78.9 | 103.3 | 0 | 0 | 0 | 111.8 | L109 C111 A112 R117 F118 H119 T123 M125 P136 M138 E266 T267 | L109-W115 HydrophobicContact CD2-CB 4.2Å; L109-W115 HydrophobicContact CD2-CG 4.08Å; C111-W115 PolarHBondContact O-N 2.81Å; A112-W115 CarbonylContact O-C 3.6Å; A112-W115 WeakPolarHBondContact O-CA 3.41Å; A112-W115 WeakPolarHBondContact O-CB 3.21Å; A112-W115 PolarHBondContact O-N 3.41Å; W115-R117 PolarHBondContact O-N 3.39Å; W115-F118 CarbonylContact O-C 3.59Å; W115-F118 WeakPolarHBondContact O-CA 3.46Å; W115-F118 WeakPolarHBondContact O-CB 3.38Å; W115-F118 PolarHBondContact O-N 2.82Å; W115-H119 PolarHBondContact O-N 3.16Å; W115-T123 HydrophobicContact CZ3-CG2 4.47Å; W115-M125 HydrophobicContact CH2-CE 3.59Å; W115-M125 HydrophobicContact CZ3-CE 3.73Å; W115-P136 HydrophobicContact CD2-CB 4.23Å; W115-P136 HydrophobicContact CD2-CG 4.1Å; W115-P136 HydrophobicContact CE3-CG 4.45Å; W115-P136 HydrophobicContact CG-CG 4.45Å; W115-P136 HydrophobicContact CZ2-CB 3.91Å; W115-P136 HydrophobicContact CZ2-CG 4.46Å; W115-P136 WeakPolarHBondContact CZ2-O 3.48Å; W115-M138 HydrophobicContact CH2-CE 4.26Å; W115-M138 HydrophobicContact CZ2-CB 4.23Å; W115-M138 HydrophobicContact CZ2-CE 4.19Å; W115-E266 HydrophobicContact CB-CB 4.37Å; W115-E266 HydrophobicContact CB-CG 3.79Å; W115-T267 HydrophobicContact CD2-CG2 3.83Å; W115-T267 HydrophobicContact CE3-CG2 3.9Å; W115-T267 HydrophobicContact CG-CG2 4.2Å; W115-T267 HydrophobicContact CZ3-CG2 4.26Å |
| 116 | K | 98.3 | Very high | 97.8 | Very high | 92 Ų | 92 | 51.9 Ų | 51.9 | 40% | 0.4 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -52.5 | -51.3 | 175.4 | -68.6 | 168.3 | -174.5 | 170.9 | 0 | 111.6 | A112 F118 H119 D120 E266 | A112-K116 WeakPolarHBondContact O-CG 3.43Å; A112-K116 PolarHBondContact O-N 3.37Å; K116-F118 PolarHBondContact O-N 2.95Å; K116-F118 VanDerWaalsContact O-N 3.12Å; K116-H119 CarbonylContact O-C 3.52Å; K116-H119 WeakPolarHBondContact O-CA 3.36Å; K116-H119 VanDerWaalsContact O-CB 3.31Å; K116-H119 WeakPolarHBondContact O-CB 3.39Å; K116-H119 PolarHBondContact O-N 3.08Å; K116-D120 PolarHBondContact O-N 2.85Å; K116-D120 VanDerWaalsContact O-OD2 3.09Å; K116-E266 VanDerWaalsContact CE-OE1 3.23Å; K116-E266 WeakPolarHBondContact CE-OE1 3.27Å; K116-E266 HydrophobicContact CG-CB 4Å; K116-E266 HydrophobicContact CG-CG 4.15Å |
| 117 | R | 98.2 | Very high | 97.9 | Very high | 124 Ų | 124 | 45.5 Ų | 45.5 | 47% | 0.468 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.7 | -25.4 | 175.8 | -68.6 | 173.6 | -151.9 | -126.8 | 7.2 | 115 | D113 W115 D120 I121 L283 | D113-R117 WeakPolarHBondContact O-CD 3.32Å; D113-R117 WeakPolarHBondContact O-CG 3.36Å; D113-R117 PolarHBondContact O-NE 2.98Å; W115-R117 PolarHBondContact O-N 3.39Å; R117-D120 WeakPolarHBondContact CA-OD2 3.49Å; R117-I121 WeakPolarHBondContact O-CD1 3.49Å; R117-I121 WeakPolarHBondContact O-CG1 3.21Å; R117-L283 HydrophobicContact CB-CD2 4.16Å; R117-L283 WeakPolarHBondContact O-CD2 3.39Å |
| 118 | F | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -81.2 | -39.1 | 170.2 | -84.6 | -67.4 | 0 | 0 | 0 | 111.6 | L114 W115 K116 I121 G122 T123 F135 P136 I280 L283 K284 | L114-F118 HydrophobicContact CD1-CD2 4.3Å; L114-F118 HydrophobicContact CD1-CE2 3.91Å; L114-F118 HydrophobicContact CG-CD2 4.29Å; L114-F118 HydrophobicContact CG-CE2 4.12Å; L114-F118 VanDerWaalsContact O-CD2 3.26Å; L114-F118 WeakPolarHBondContact O-CD2 3.48Å; L114-F118 PolarHBondContact O-N 2.88Å; W115-F118 CarbonylContact O-C 3.59Å; W115-F118 WeakPolarHBondContact O-CA 3.46Å; W115-F118 WeakPolarHBondContact O-CB 3.38Å; W115-F118 PolarHBondContact O-N 2.82Å; K116-F118 PolarHBondContact O-N 2.95Å; K116-F118 VanDerWaalsContact O-N 3.12Å; F118-I121 PolarHBondContact O-N 2.85Å; F118-G122 CarbonylContact O-C 3.58Å; F118-G122 PolarHBondContact O-N 2.95Å; F118-G122 VanDerWaalsContact O-N 3.1Å; F118-T123 HydrophobicContact CB-CG2 4.1Å; F118-T123 WeakPolarHBondContact CB-OG1 3.4Å; F118-T123 PolarHBondContact O-N 3.5Å; F118-T123 PolarHBondContact O-OG1 3.07Å; F118-F135 HydrophobicContact CE2-CD1 4.26Å; F118-F135 AromaticContact CE2-CE1 3.85Å; F118-F135 HydrophobicContact CE2-CE1 3.85Å; F118-F135 HydrophobicContact CZ-CD1 4.16Å; F118-F135 AromaticContact CZ-CE1 3.91Å; F118-F135 HydrophobicContact CZ-CE1 3.91Å; F118-P136 HydrophobicContact CD2-CG 3.57Å; F118-P136 HydrophobicContact CE2-CG 3.72Å; F118-I280 HydrophobicContact CD1-CD1 3.96Å; F118-I280 HydrophobicContact CD1-CG2 4.39Å; F118-I280 HydrophobicContact CE1-CG2 4.29Å; F118-L283 HydrophobicContact CD1-CD2 3.65Å; F118-L283 HydrophobicContact CD1-CG 4.21Å; F118-L283 HydrophobicContact CD2-CD2 4.19Å; F118-L283 HydrophobicContact CE1-CB 3.81Å; F118-L283 HydrophobicContact CE1-CD2 3.63Å; F118-L283 HydrophobicContact CE1-CG 3.64Å; F118-L283 HydrophobicContact CE2-CD2 4.17Å; F118-L283 HydrophobicContact CE2-CG 4.16Å; F118-L283 HydrophobicContact CG-CD2 3.92Å; F118-L283 HydrophobicContact CZ-CB 4.11Å; F118-L283 HydrophobicContact CZ-CD2 3.9Å; F118-L283 HydrophobicContact CZ-CG 3.61Å; F118-K284 HydrophobicContact CD1-CD 4.49Å; F118-K284 HydrophobicContact CE1-CD 3.56Å; F118-K284 HydrophobicContact CE1-CG 3.87Å; F118-K284 HydrophobicContact CZ-CD 3.71Å; F118-K284 HydrophobicContact CZ-CG 4.21Å |
| 119 | H | 98.1 | Very high | 97.9 | Very high | 79 Ų | 79 | 49.4 Ų | 49.4 | 37% | 0.366 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 177.6 | -170.1 | 86.9 | 0 | 0 | 0 | 112.2 | W115 K116 I121 G122 T123 S265 E266 | W115-H119 PolarHBondContact O-N 3.16Å; K116-H119 CarbonylContact O-C 3.52Å; K116-H119 WeakPolarHBondContact O-CA 3.36Å; K116-H119 VanDerWaalsContact O-CB 3.31Å; K116-H119 WeakPolarHBondContact O-CB 3.39Å; K116-H119 PolarHBondContact O-N 3.08Å; H119-I121 PolarHBondContact O-N 3.46Å; H119-I121 VanDerWaalsContact O-N 3.09Å; H119-G122 WeakPolarHBondContact O-CA 3.4Å; H119-G122 PolarHBondContact O-N 2.9Å; H119-T123 WeakPolarHBondContact CA-OG1 3.35Å; H119-T123 PolarHBondContact N-OG1 3.47Å; H119-S265 PolarHBondContact CE1-O 2.83Å; H119-S265 PolarHBondContact ND1-O 3.46Å; H119-E266 HydrophobicContact CB-CB 4.18Å; H119-E266 WeakPolarHBondContact ND1-CA 3.34Å |
| 120 | D | 97.9 | Very high | 97.8 | Very high | 124 Ų | 124 | 52.4 Ų | 52.4 | 66% | 0.663 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -29.3 | 178.5 | -56.5 | -31.5 | 0 | 0 | 0 | 113 | K116 R117 | K116-D120 PolarHBondContact O-N 2.85Å; K116-D120 VanDerWaalsContact O-OD2 3.09Å; R117-D120 WeakPolarHBondContact CA-OD2 3.49Å |
| 121 | I | 96.9 | Very high | 97.8 | Very high | 53 Ų | 53 | 50.8 Ų | 50.8 | 27% | 0.272 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -12.8 | -179.1 | -55.3 | 176.1 | 0 | 0 | 0 | 111.2 | R117 F118 H119 N277 Q279 I280 L283 | R117-I121 WeakPolarHBondContact O-CD1 3.49Å; R117-I121 WeakPolarHBondContact O-CG1 3.21Å; F118-I121 PolarHBondContact O-N 2.85Å; H119-I121 PolarHBondContact O-N 3.46Å; H119-I121 VanDerWaalsContact O-N 3.09Å; I121-N277 VanDerWaalsContact CG2-ND2 3.31Å; I121-N277 WeakPolarHBondContact CG2-ND2 3.23Å; I121-N277 PolarHBondContact O-ND2 2.82Å; I121-Q279 HydrophobicContact CD1-CB 4.49Å; I121-Q279 HydrophobicContact CG2-CB 3.59Å; I121-I280 HydrophobicContact CB-CD1 3.67Å; I121-I280 HydrophobicContact CB-CG1 4.48Å; I121-I280 HydrophobicContact CG2-CD1 3.47Å; I121-I280 VanDerWaalsContact CG2-CD1 3.47Å; I121-I280 HydrophobicContact CG2-CG1 3.74Å; I121-L283 HydrophobicContact CD1-CD2 3.92Å |
| 122 | G | 97.4 | Very high | 98 | Very high | 24 Ų | 24 | 52.9 Ų | 52.9 | 25% | 0.247 | 27% | 0.271 | C | S | . | . | trans | 85.8 | 89.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F118 H119 E124 I280 | F118-G122 CarbonylContact O-C 3.58Å; F118-G122 PolarHBondContact O-N 2.95Å; F118-G122 VanDerWaalsContact O-N 3.1Å; H119-G122 WeakPolarHBondContact O-CA 3.4Å; H119-G122 PolarHBondContact O-N 2.9Å; G122-E124 PolarHBondContact O-N 2.77Å; G122-I280 VanDerWaalsContact O-CD1 3.29Å; G122-I280 WeakPolarHBondContact O-CD1 3.31Å | ||
| 123 | T | 98.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | trans | -53.3 | 124.9 | -175.9 | -50.8 | 0 | 0 | 0 | 0 | 112.3 | W115 F118 H119 M125 V268 F269 T270 | W115-T123 HydrophobicContact CZ3-CG2 4.47Å; F118-T123 HydrophobicContact CB-CG2 4.1Å; F118-T123 WeakPolarHBondContact CB-OG1 3.4Å; F118-T123 PolarHBondContact O-N 3.5Å; F118-T123 PolarHBondContact O-OG1 3.07Å; H119-T123 WeakPolarHBondContact CA-OG1 3.35Å; H119-T123 PolarHBondContact N-OG1 3.47Å; T123-M125 HydrophobicContact CG2-CE 4.13Å; T123-V268 WeakPolarHBondContact CB-O 3.48Å; T123-V268 PolarHBondContact OG1-O 3.46Å; T123-F269 HydrophobicContact CG2-CB 3.64Å; T123-F269 CarbonylContact O-C 3.48Å; T123-F269 VanDerWaalsContact O-CA 3.25Å; T123-F269 WeakPolarHBondContact O-CA 3.38Å; T123-F269 WeakPolarHBondContact O-CB 3.43Å; T123-T270 PolarHBondContact O-N 3.17Å | ||
| 124 | E | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 141.8 | 169.7 | -59.7 | 177.7 | -165 | 0 | 0 | 111.4 | G122 W174 T270 V272 Y275 Q276 N277 I280 K284 | G122-E124 PolarHBondContact O-N 2.77Å; E124-W174 HydrophobicContact CG-CZ2 4.04Å; E124-T270 CarbonylContact C-O 3.52Å; E124-T270 VanDerWaalsContact CA-O 3.31Å; E124-T270 WeakPolarHBondContact CA-O 3.38Å; E124-V272 HydrophobicContact CB-CG2 4.1Å; E124-V272 HydrophobicContact CG-CG1 4.48Å; E124-Y275 HydrophobicContact CB-CD1 3.96Å; E124-Y275 HydrophobicContact CB-CE1 4.27Å; E124-Y275 WeakPolarHBondContact OE2-CA 3.41Å; E124-Y275 WeakPolarHBondContact OE2-CD1 3.45Å; E124-Q276 PolarHBondContact OE2-N 2.82Å; E124-N277 WeakPolarHBondContact OE1-CB 3.37Å; E124-N277 PolarHBondContact OE1-N 2.96Å; E124-I280 HydrophobicContact CB-CG2 4.08Å; E124-I280 HydrophobicContact CG-CG1 4.29Å; E124-I280 HydrophobicContact CG-CG2 4.46Å; E124-K284 WeakPolarHBondContact O-CE 3.38Å; E124-K284 PolarHBondContact O-NZ 3.08Å |
| 125 | M | 98.7 | Very high | 98.1 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 131.4 | 172.2 | -67.5 | -63.4 | -172.9 | 0 | 0 | 111 | W115 T123 M134 L213 F269 T270 V272 | W115-M125 HydrophobicContact CH2-CE 3.59Å; W115-M125 HydrophobicContact CZ3-CE 3.73Å; T123-M125 HydrophobicContact CG2-CE 4.13Å; M125-M134 HydrophobicContact CE-CB 4.08Å; M125-M134 HydrophobicContact CE-CG 4.49Å; M125-M134 HydrophobicContact SD-CB 4.11Å; M125-M134 HydrophobicContact SD-CG 4.41Å; M125-L213 HydrophobicContact CB-CD1 3.98Å; M125-L213 HydrophobicContact CG-CD1 4.46Å; M125-F269 HydrophobicContact CB-CD2 3.68Å; M125-F269 HydrophobicContact CB-CE2 3.83Å; M125-F269 HydrophobicContact CB-CG 4.11Å; M125-F269 HydrophobicContact CB-CZ 4.36Å; M125-F269 HydrophobicContact CE-CD1 4.11Å; M125-F269 HydrophobicContact CG-CB 3.86Å; M125-F269 HydrophobicContact CG-CD1 3.62Å; M125-F269 HydrophobicContact CG-CD2 3.51Å; M125-F269 HydrophobicContact CG-CE1 3.92Å; M125-F269 HydrophobicContact CG-CE2 3.85Å; M125-F269 HydrophobicContact CG-CG 3.4Å; M125-F269 HydrophobicContact CG-CZ 4.04Å; M125-T270 PolarHBondContact N-O 3.18Å; M125-V272 PolarHBondContact O-N 2.95Å |
| 126 | I | 98.6 | Very high | 98.1 | Very high | 27 Ų | 27 | 53.5 Ų | 53.5 | 14% | 0.138 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 130.1 | 178.1 | -62 | -77.1 | 0 | 0 | 0 | 109.8 | T128 R132 V272 Y275 | I126-T128 HydrophobicContact CG2-CG2 3.93Å; I126-R132 HydrophobicContact CB-CG 4.11Å; I126-R132 HydrophobicContact CG2-CG 4.02Å; I126-R132 WeakPolarHBondContact O-CB 3.42Å; I126-R132 WeakPolarHBondContact O-CG 3.42Å; I126-V272 CarbonylContact C-O 3.56Å; I126-V272 VanDerWaalsContact CA-O 3.28Å; I126-V272 WeakPolarHBondContact CA-O 3.42Å; I126-V272 HydrophobicContact CD1-CG2 4Å; I126-Y275 HydrophobicContact CD1-CD1 3.93Å; I126-Y275 HydrophobicContact CD1-CD2 4.08Å; I126-Y275 HydrophobicContact CD1-CE1 3.9Å; I126-Y275 HydrophobicContact CD1-CE2 4.05Å; I126-Y275 HydrophobicContact CD1-CG 4.01Å; I126-Y275 HydrophobicContact CG1-CD1 4.16Å; I126-Y275 HydrophobicContact CG1-CD2 4.4Å; I126-Y275 HydrophobicContact CG1-CE1 3.59Å; I126-Y275 HydrophobicContact CG1-CE2 3.87Å; I126-Y275 VanDerWaalsContact CG1-CZ 3.42Å |
| 127 | I | 98.5 | Very high | 98 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | trans | -113 | 141.6 | 170.6 | 63.8 | 175.4 | 0 | 0 | 0 | 110.6 | L213 N215 L226 T271 V272 T273 | I127-L213 HydrophobicContact CG2-CB 3.76Å; I127-L213 HydrophobicContact CG2-CD1 4.39Å; I127-N215 HydrophobicContact CB-CB 4.4Å; I127-N215 HydrophobicContact CD1-CB 3.62Å; I127-N215 HydrophobicContact CG1-CB 3.92Å; I127-L226 WeakPolarHBondContact CD1-O 3.29Å; I127-T271 HydrophobicContact CG2-CG2 3.88Å; I127-V272 PolarHBondContact N-O 3.04Å; I127-T273 HydrophobicContact CG1-CG2 4.42Å | ||
| 128 | T | 98.3 | Very high | 98 | Very high | 49 Ų | 49 | 44.5 Ų | 44.5 | 30% | 0.301 | 23% | 0.23 | S | C | . | . | trans | -145.4 | 156.1 | 180 | 69.2 | 0 | 0 | 0 | 0 | 111.9 | I126 A130 G131 R132 T214 N215 | I126-T128 HydrophobicContact CG2-CG2 3.93Å; T128-A130 PolarHBondContact O-N 3.1Å; T128-A130 VanDerWaalsContact O-N 3.1Å; T128-G131 PolarHBondContact O-N 2.91Å; T128-R132 HydrophobicContact CG2-CB 4.29Å; T128-T214 WeakPolarHBondContact O-CA 3.49Å; T128-T214 PolarHBondContact O-OG1 3.13Å; T128-T214 VanDerWaalsContact O-OG1 3.08Å; T128-N215 WeakPolarHBondContact CA-OD1 3.42Å | ||
| 129 | K | 97.2 | Very high | 98 | Very high | 152 Ų | 152 | 49.9 Ų | 49.9 | 66% | 0.661 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -33 | -178.4 | -172.5 | 178.3 | -178.6 | -180 | 0 | 114.5 | T214 N215 N216 | K129-T214 PolarHBondContact O-OG1 3.44Å; K129-N215 PolarHBondContact N-OD1 2.73Å; K129-N216 HydrophobicContact CG-CB 4.13Å |
| 130 | A | 97.3 | Very high | 98.1 | Very high | 72 Ų | 72 | 46.1 Ų | 46.1 | 60% | 0.595 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | T128 K212 H223 | T128-A130 PolarHBondContact O-N 3.1Å; T128-A130 VanDerWaalsContact O-N 3.1Å; A130-K212 PolarHBondContact O-NZ 3.13Å; A130-H223 PolarHBondContact O-CE1 3.33Å |
| 131 | G | 97.9 | Very high | 98.1 | Very high | 11 Ų | 11 | 45 Ų | 45 | 11% | 0.113 | 22% | 0.222 | C | C | . | . | trans | 76.8 | 127.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T128 L213 | T128-G131 PolarHBondContact O-N 2.91Å; G131-L213 CarbonylContact C-O 3.41Å; G131-L213 WeakPolarHBondContact CA-O 3.48Å | ||
| 132 | R | 98.4 | Very high | 98.1 | Very high | 132 Ų | 132 | 42.7 Ų | 42.7 | 50% | 0.498 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.4 | -179.3 | -176.1 | 66.6 | 176.6 | -168.9 | -1.9 | 111.1 | I126 T128 K212 L213 | I126-R132 HydrophobicContact CB-CG 4.11Å; I126-R132 HydrophobicContact CG2-CG 4.02Å; I126-R132 WeakPolarHBondContact O-CB 3.42Å; I126-R132 WeakPolarHBondContact O-CG 3.42Å; T128-R132 HydrophobicContact CG2-CB 4.29Å; R132-K212 CarbonylContact O-C 3.58Å; R132-K212 WeakPolarHBondContact O-CA 3.31Å; R132-L213 PolarHBondContact N-O 2.88Å; R132-L213 PolarHBondContact O-N 3.49Å |
| 133 | R | 98.2 | Very high | 98.1 | Very high | 125 Ų | 125 | 43.5 Ų | 43.5 | 47% | 0.472 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 142.5 | 175.7 | -69.9 | 174 | 174 | -140.5 | 9.9 | 111.5 | D209 L211 K212 | R133-D209 WeakPolarHBondContact CD-O 3.1Å; R133-D209 WeakPolarHBondContact CG-O 3.4Å; R133-D209 VanDerWaalsContact CZ-O 3.28Å; R133-D209 PolarHBondContact NE-O 3.12Å; R133-D209 PolarHBondContact NH1-O 2.97Å; R133-D209 IonicContact NH1-OD2 3.71Å; R133-D209 PolarHBondContact NH1-OD2 3.28Å; R133-L211 WeakPolarHBondContact CA-O 3.38Å; R133-K212 HydrophobicContact CG-CG 4.08Å |
| 134 | M | 98.2 | Very high | 98 | Very high | 13 Ų | 13 | 44.4 Ų | 44.4 | 6% | 0.064 | 22% | 0.224 | C | C | . | . | trans | -65 | 148.9 | 174.2 | -64 | -167 | -67.5 | 0 | 0 | 111.7 | M125 P136 M138 M155 I157 L211 L213 F269 | M125-M134 HydrophobicContact CE-CB 4.08Å; M125-M134 HydrophobicContact CE-CG 4.49Å; M125-M134 HydrophobicContact SD-CB 4.11Å; M125-M134 HydrophobicContact SD-CG 4.41Å; M134-P136 CarbonylContact C-O 3.53Å; M134-M138 HydrophobicContact CE-CB 4.32Å; M134-M155 HydrophobicContact CE-SD 4.06Å; M134-I157 HydrophobicContact SD-CD1 4.29Å; M134-L211 HydrophobicContact CE-CD1 4.23Å; M134-L211 HydrophobicContact CE-CD2 4.09Å; M134-L213 HydrophobicContact CG-CD1 3.71Å; M134-L213 HydrophobicContact CG-CD2 4.3Å; M134-L213 HydrophobicContact CG-CG 3.91Å; M134-L213 HydrophobicContact SD-CD1 4.16Å; M134-L213 HydrophobicContact SD-CD2 4.33Å; M134-L213 HydrophobicContact SD-CG 4.5Å; M134-F269 HydrophobicContact SD-CE1 3.87Å; M134-F269 HydrophobicContact SD-CZ 4.27Å | ||
| 135 | F | 98.3 | Very high | 97.9 | Very high | 33 Ų | 33 | 44.6 Ų | 44.6 | 15% | 0.145 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -141.5 | 121.3 | 164.8 | -174.8 | -90.6 | 0 | 0 | 0 | 110.5 | L114 F118 K284 R287 N288 | L114-F135 HydrophobicContact CD2-CZ 4.21Å; F118-F135 HydrophobicContact CE2-CD1 4.26Å; F118-F135 AromaticContact CE2-CE1 3.85Å; F118-F135 HydrophobicContact CE2-CE1 3.85Å; F118-F135 HydrophobicContact CZ-CD1 4.16Å; F118-F135 AromaticContact CZ-CE1 3.91Å; F118-F135 HydrophobicContact CZ-CE1 3.91Å; F135-K284 HydrophobicContact CD1-CD 3.85Å; F135-K284 PolarHBondContact O-NZ 3.31Å; F135-R287 HydrophobicContact CE1-CB 4.02Å; F135-R287 VanDerWaalsContact CZ-C 3.45Å; F135-R287 HydrophobicContact CZ-CB 3.98Å; F135-N288 HydrophobicContact CD1-CB 3.89Å; F135-N288 HydrophobicContact CD2-CB 3.9Å; F135-N288 HydrophobicContact CE1-CB 3.81Å; F135-N288 HydrophobicContact CE2-CB 3.83Å; F135-N288 HydrophobicContact CG-CB 3.95Å; F135-N288 VanDerWaalsContact CZ-CA 3.43Å; F135-N288 HydrophobicContact CZ-CB 3.79Å |
| 136 | P | 98.1 | Very high | 97.7 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.032 | 23% | 0.234 | C | C | . | . | S | Bend | cis | -60.5 | 154.8 | 0.4 | -19.7 | 33.1 | 0 | 0 | 0 | 112.5 | L114 W115 F118 M134 | L114-P136 HydrophobicContact CD2-CB 4.14Å; L114-P136 HydrophobicContact CD2-CG 3.9Å; L114-P136 HydrophobicContact CG-CG 3.86Å; W115-P136 HydrophobicContact CD2-CB 4.23Å; W115-P136 HydrophobicContact CD2-CG 4.1Å; W115-P136 HydrophobicContact CE3-CG 4.45Å; W115-P136 HydrophobicContact CG-CG 4.45Å; W115-P136 HydrophobicContact CZ2-CB 3.91Å; W115-P136 HydrophobicContact CZ2-CG 4.46Å; W115-P136 WeakPolarHBondContact CZ2-O 3.48Å; F118-P136 HydrophobicContact CD2-CG 3.57Å; F118-P136 HydrophobicContact CE2-CG 3.72Å; M134-P136 CarbonylContact C-O 3.53Å |
| 137 | A | 97.4 | Very high | 97.6 | Very high | 26 Ų | 26 | 47.9 Ų | 47.9 | 22% | 0.215 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -73.4 | 136.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | R139 D209 | A137-R139 PolarHBondContact O-N 2.78Å; A137-D209 HydrophobicContact CB-CB 3.82Å |
| 138 | M | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 129.7 | 173.5 | -171.1 | 159.9 | -61.4 | 0 | 0 | 109.3 | L109 W115 M134 M155 F208 P234 V236 T267 | L109-M138 HydrophobicContact CD1-CG 4.27Å; W115-M138 HydrophobicContact CH2-CE 4.26Å; W115-M138 HydrophobicContact CZ2-CB 4.23Å; W115-M138 HydrophobicContact CZ2-CE 4.19Å; M134-M138 HydrophobicContact CE-CB 4.32Å; M138-M155 HydrophobicContact CB-CE 3.85Å; M138-M155 HydrophobicContact CB-SD 4.48Å; M138-M155 HydrophobicContact CG-CE 3.67Å; M138-M155 HydrophobicContact SD-CE 3.3Å; M138-M155 WeakPolarHBondContact SD-CE 3.41Å; M138-M155 HydrophobicContact SD-SD 4.3Å; M138-F208 HydrophobicContact CB-CB 4.47Å; M138-F208 PolarHBondContact O-N 2.91Å; M138-P234 HydrophobicContact CE-CB 3.58Å; M138-P234 HydrophobicContact CE-CG 3.83Å; M138-P234 HydrophobicContact SD-CB 4.13Å; M138-V236 HydrophobicContact SD-CG2 4.02Å; M138-T267 VanDerWaalsContact CE-CB 3.43Å; M138-T267 HydrophobicContact CE-CG2 3.49Å; M138-T267 VanDerWaalsContact CE-CG2 3.49Å |
| 139 | R | 98.2 | Very high | 97.3 | Very high | 113 Ų | 113 | 56.1 Ų | 56.1 | 43% | 0.426 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 136.3 | -177 | -73.9 | -174.7 | 165.3 | -177 | -4.8 | 108.4 | Q110 A137 V205 V206 S207 | Q110-R139 HydrophobicContact CB-CB 3.91Å; Q110-R139 PolarHBondContact N-O 2.99Å; A137-R139 PolarHBondContact O-N 2.78Å; R139-V205 HydrophobicContact CB-CG1 3.87Å; R139-V205 HydrophobicContact CG-CG1 4.44Å; R139-V206 VanDerWaalsContact CA-O 3.27Å; R139-V206 WeakPolarHBondContact CA-O 3.38Å; R139-S207 PolarHBondContact NE-OG 3.12Å; R139-S207 PolarHBondContact NH2-OG 3.47Å |
| 140 | V | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 143.4 | -178.1 | -64.4 | 0 | 0 | 0 | 0 | 111.3 | V107 E108 I142 V205 V206 F208 V236 F264 | V107-V140 HydrophobicContact CG1-CB 3.6Å; V107-V140 HydrophobicContact CG1-CG1 3.74Å; V107-V140 HydrophobicContact CG1-CG2 4.03Å; E108-V140 VanDerWaalsContact O-CA 3.29Å; E108-V140 WeakPolarHBondContact O-CA 3.46Å; V140-I142 HydrophobicContact CG2-CD1 4.22Å; V140-I142 HydrophobicContact CG2-CG1 4.16Å; V140-V205 CarbonylContact O-C 3.6Å; V140-V205 WeakPolarHBondContact O-CA 3.38Å; V140-V206 HydrophobicContact CG2-CB 4.08Å; V140-V206 PolarHBondContact N-O 3.43Å; V140-V206 PolarHBondContact O-N 3.01Å; V140-F208 HydrophobicContact CG2-CE2 4.26Å; V140-V236 HydrophobicContact CG1-CG2 4.22Å; V140-V236 HydrophobicContact CG2-CG1 4.48Å; V140-F264 HydrophobicContact CG1-CE2 4.02Å; V140-F264 HydrophobicContact CG1-CZ 4.49Å |
| 141 | K | 98.3 | Very high | 97.2 | Very high | 101 Ų | 101 | 48.7 Ų | 48.7 | 44% | 0.439 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 144.5 | 163.6 | -176.1 | -173.8 | 171.1 | -162 | 0 | 107.6 | V107 E108 Q110 V205 | V107-K141 WeakPolarHBondContact CA-O 3.34Å; E108-K141 HydrophobicContact CB-CB 4.35Å; E108-K141 PolarHBondContact N-O 3.37Å; E108-K141 PolarHBondContact O-N 3.35Å; Q110-K141 HydrophobicContact CG-CB 4.19Å; K141-V205 HydrophobicContact CB-CG2 4.39Å |
| 142 | I | 98.1 | Very high | 97.2 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 143.2 | -173.5 | -54.2 | 173.5 | 0 | 0 | 0 | 108.6 | I105 Q106 V107 V140 L145 I153 M202 V206 I238 | I105-I142 HydrophobicContact CG2-CG2 4.29Å; Q106-I142 WeakPolarHBondContact O-CA 3.49Å; V107-I142 HydrophobicContact CG1-CG1 4.37Å; V107-I142 HydrophobicContact CG2-CG1 4.28Å; V107-I142 HydrophobicContact CG2-CG2 4.35Å; V140-I142 HydrophobicContact CG2-CD1 4.22Å; V140-I142 HydrophobicContact CG2-CG1 4.16Å; I142-L145 HydrophobicContact CG2-CD1 3.73Å; I142-L145 HydrophobicContact CG2-CD2 4.32Å; I142-L145 HydrophobicContact CG2-CG 3.86Å; I142-I153 HydrophobicContact CD1-CD1 3.33Å; I142-M202 WeakPolarHBondContact O-CG 3.47Å; I142-V206 HydrophobicContact CD1-CG2 3.91Å; I142-I238 HydrophobicContact CD1-CD1 4.02Å; I142-I238 HydrophobicContact CG1-CD1 4.44Å; I142-I238 HydrophobicContact CG2-CD1 3.75Å |
| 143 | A | 97.3 | Very high | 97.1 | Very high | 42 Ų | 42 | 44.8 Ų | 44.8 | 35% | 0.347 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 164.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | I105 Q106 | I105-A143 CarbonylContact C-O 3.6Å; I105-A143 WeakPolarHBondContact CA-O 3.02Å; Q106-A143 PolarHBondContact N-O 3.08Å; Q106-A143 PolarHBondContact O-N 2.72Å |
| 144 | G | 95.8 | Very high | 97.1 | Very high | 21 Ų | 21 | 38.8 Ų | 38.8 | 22% | 0.216 | 20% | 0.197 | C | C | . | . | S | Bend | trans | 73 | 22.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | I105 | I105-G144 WeakPolarHBondContact CG1-O 3.26Š|
| 145 | L | 96.1 | Very high | 97.1 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | trans | -85.5 | 147.3 | 167.7 | -60.9 | 175.1 | 0 | 0 | 0 | 109.9 | I105 I142 P147 Y151 W201 M202 I238 | I105-L145 HydrophobicContact CD1-CD2 3.74Å; I105-L145 HydrophobicContact CG1-CD2 3.89Å; I105-L145 HydrophobicContact CG2-CD2 3.83Å; I142-L145 HydrophobicContact CG2-CD1 3.73Å; I142-L145 HydrophobicContact CG2-CD2 4.32Å; I142-L145 HydrophobicContact CG2-CG 3.86Å; L145-P147 WeakPolarHBondContact O-CD 3.4Å; L145-Y151 HydrophobicContact CB-CE2 3.97Å; L145-Y151 HydrophobicContact CD2-CD1 4.07Å; L145-Y151 HydrophobicContact CD2-CD2 4.39Å; L145-Y151 HydrophobicContact CD2-CE1 3.73Å; L145-Y151 HydrophobicContact CD2-CE2 4.11Å; L145-Y151 HydrophobicContact CD2-CG 4.37Å; L145-Y151 HydrophobicContact CG-CE2 4.46Å; L145-W201 HydrophobicContact CD1-CB 3.64Å; L145-W201 HydrophobicContact CD1-CG 4.37Å; L145-M202 HydrophobicContact CB-CE 4.12Å; L145-M202 HydrophobicContact CB-CG 4.23Å; L145-M202 HydrophobicContact CB-SD 3.94Å; L145-M202 HydrophobicContact CD1-CG 4.12Å; L145-M202 HydrophobicContact CG-CG 4.3Å; L145-M202 HydrophobicContact CG-SD 4.45Å; L145-M202 PolarHBondContact N-SD 3.47Å; L145-M202 WeakPolarHBondContact O-CE 3.01Å; L145-I238 HydrophobicContact CD2-CD1 4.48Å; L145-I238 HydrophobicContact CD2-CG2 3.77Å | ||
| 146 | D | 95.2 | Very high | 97 | Very high | 37 Ų | 37 | 37.2 Ų | 37.2 | 20% | 0.198 | 19% | 0.19 | C | C | . | . | trans | -61.4 | 121.1 | 166.9 | 179 | -39.7 | 0 | 0 | 0 | 109.1 | A100 H148 Q149 Y151 G198 | A100-D146 HydrophobicContact CB-CB 4.12Å; D146-H148 PolarHBondContact O-N 2.68Å; D146-H148 VanDerWaalsContact O-N 3.17Å; D146-H148 WeakPolarHBondContact OD1-CA 3.47Å; D146-H148 WeakPolarHBondContact OD1-CB 3.35Å; D146-H148 IonicContact OD1-CD2 3.57Å; D146-H148 PolarHBondContact OD1-N 3.39Å; D146-Q149 HydrophobicContact CB-CB 3.72Å; D146-Q149 PolarHBondContact O-N 2.79Å; D146-Q149 PolarHBondContact OD1-N 3.23Å; D146-Y151 WeakPolarHBondContact CB-OH 3.3Å; D146-Y151 PolarHBondContact N-OH 3.49Å; D146-Y151 VanDerWaalsContact N-OH 3.07Å; D146-G198 VanDerWaalsContact O-CA 3.27Å; D146-G198 WeakPolarHBondContact O-CA 3.27Å | ||
| 147 | P | 95.9 | Very high | 97 | Very high | 61 Ų | 61 | 37.8 Ų | 37.8 | 40% | 0.396 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -56.5 | -31.1 | -178.5 | -28.9 | 37.4 | 0 | 0 | 0 | 114.6 | L145 S197 D199 M202 | L145-P147 WeakPolarHBondContact O-CD 3.4Å; P147-S197 WeakPolarHBondContact O-CB 3.38Å; P147-D199 HydrophobicContact CB-CB 4.11Å; P147-D199 PolarHBondContact O-N 2.91Å; P147-M202 HydrophobicContact CG-CE 4.45Å |
| 148 | H | 95.3 | Very high | 97 | Very high | 168 Ų | 168 | 38.4 Ų | 38.4 | 78% | 0.778 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -96.7 | -32.1 | -172.3 | -55.6 | -74.2 | 0 | 0 | 0 | 112.7 | D146 | D146-H148 PolarHBondContact O-N 2.68Å; D146-H148 VanDerWaalsContact O-N 3.17Å; D146-H148 WeakPolarHBondContact OD1-CA 3.47Å; D146-H148 WeakPolarHBondContact OD1-CB 3.35Å; D146-H148 IonicContact OD1-CD2 3.57Å; D146-H148 PolarHBondContact OD1-N 3.39Å |
| 149 | Q | 95.1 | Very high | 96.9 | Very high | 56 Ų | 56 | 42.6 Ų | 42.6 | 26% | 0.262 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -67.9 | 151.2 | 177.5 | -164.5 | 61.2 | 0.5 | 0 | 0 | 111.9 | D146 Y151 S197 G198 R240 D242 | D146-Q149 HydrophobicContact CB-CB 3.72Å; D146-Q149 PolarHBondContact O-N 2.79Å; D146-Q149 PolarHBondContact OD1-N 3.23Å; Q149-Y151 HydrophobicContact CB-CE2 3.91Å; Q149-Y151 HydrophobicContact CG-CE2 4.35Å; Q149-Y151 WeakPolarHBondContact O-CD2 3.36Å; Q149-S197 CarbonylContact O-C 3.57Å; Q149-S197 VanDerWaalsContact O-CA 3.32Å; Q149-S197 WeakPolarHBondContact O-CA 3.44Å; Q149-G198 PolarHBondContact O-N 2.7Å; Q149-R240 HydrophobicContact CG-CG 4.5Å; Q149-D242 PolarHBondContact NE2-OD1 3.25Å |
| 150 | Q | 96.3 | Very high | 96.9 | Very high | 69 Ų | 69 | 40.6 Ų | 40.6 | 32% | 0.322 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 138 | 179.9 | -54.1 | -168.1 | -62.9 | 0 | 0 | 112.1 | L195 A196 K241 | Q150-L195 HydrophobicContact CB-CD1 3.65Å; Q150-L195 HydrophobicContact CB-CD2 4.27Å; Q150-L195 HydrophobicContact CB-CG 3.97Å; Q150-A196 CarbonylContact C-O 3.52Å; Q150-A196 WeakPolarHBondContact CA-O 3.46Å; Q150-K241 HydrophobicContact CB-CB 4.17Å; Q150-K241 HydrophobicContact CB-CD 4.21Å; Q150-K241 WeakPolarHBondContact O-CB 3.38Å; Q150-K241 PolarHBondContact O-N 2.71Å |
| 151 | Y | 96.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 140.4 | -176 | -58.8 | -98.8 | 0 | 0 | 0 | 112.1 | M102 I105 L145 D146 Q149 L195 A196 W201 I238 I239 R240 | M102-Y151 HydrophobicContact SD-CE1 4.11Å; I105-Y151 HydrophobicContact CD1-CE1 4.43Å; L145-Y151 HydrophobicContact CB-CE2 3.97Å; L145-Y151 HydrophobicContact CD2-CD1 4.07Å; L145-Y151 HydrophobicContact CD2-CD2 4.39Å; L145-Y151 HydrophobicContact CD2-CE1 3.73Å; L145-Y151 HydrophobicContact CD2-CE2 4.11Å; L145-Y151 HydrophobicContact CD2-CG 4.37Å; L145-Y151 HydrophobicContact CG-CE2 4.46Å; D146-Y151 WeakPolarHBondContact CB-OH 3.3Å; D146-Y151 PolarHBondContact N-OH 3.49Å; D146-Y151 VanDerWaalsContact N-OH 3.07Å; Q149-Y151 HydrophobicContact CB-CE2 3.91Å; Q149-Y151 HydrophobicContact CG-CE2 4.35Å; Q149-Y151 WeakPolarHBondContact O-CD2 3.36Å; Y151-L195 VanDerWaalsContact C-CD1 3.46Å; Y151-L195 WeakPolarHBondContact O-CD1 3.3Å; Y151-A196 PolarHBondContact N-O 3.44Å; Y151-A196 PolarHBondContact O-N 2.95Å; Y151-W201 PolarHBondContact O-NE1 3.2Å; Y151-I238 HydrophobicContact CD1-CG2 3.69Å; Y151-I238 HydrophobicContact CE1-CG2 4.22Å; Y151-I238 HydrophobicContact CG-CG2 4.43Å; Y151-I239 CarbonylContact C-O 3.59Å; Y151-I239 VanDerWaalsContact CA-O 3.31Å; Y151-I239 WeakPolarHBondContact CA-O 3.31Å; Y151-R240 HydrophobicContact CD1-CG 3.83Å; Y151-R240 HydrophobicContact CE1-CG 3.48Å; Y151-R240 VanDerWaalsContact CE1-CG 3.48Å |
| 152 | Y | 97.1 | Very high | 96.7 | Very high | 60 Ų | 60 | 43.2 Ų | 43.2 | 24% | 0.235 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 142.3 | 158.8 | -66.8 | -94.8 | 0 | 0 | 0 | 109.2 | I190 L195 I239 S244 L247 | Y152-I190 HydrophobicContact CD1-CG2 4.36Å; Y152-L195 HydrophobicContact CD2-CD1 3.78Å; Y152-L195 HydrophobicContact CE1-CB 4.08Å; Y152-L195 HydrophobicContact CE2-CB 4.4Å; Y152-L195 HydrophobicContact CE2-CD1 3.69Å; Y152-L195 HydrophobicContact CE2-CD2 4.18Å; Y152-L195 HydrophobicContact CE2-CG 4.31Å; Y152-L195 HydrophobicContact CG-CD1 4.29Å; Y152-I239 PolarHBondContact N-O 3.22Å; Y152-I239 PolarHBondContact O-N 3.24Å; Y152-S244 VanDerWaalsContact CE2-CB 3.45Å; Y152-S244 VanDerWaalsContact CE2-OG 3.23Å; Y152-S244 WeakPolarHBondContact CE2-OG 3.44Å; Y152-L247 HydrophobicContact CD1-CD2 4.04Å; Y152-L247 HydrophobicContact CD2-CD2 4.39Å; Y152-L247 HydrophobicContact CG-CD2 3.85Å |
| 153 | I | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 129.6 | 169.6 | -62.8 | -169.5 | 0 | 0 | 0 | 108.9 | I142 H191 S194 W201 V206 F208 V236 H237 I238 | I142-I153 HydrophobicContact CD1-CD1 3.33Å; I153-H191 HydrophobicContact CB-CB 4.38Å; I153-H191 VanDerWaalsContact O-CB 3.31Å; I153-H191 WeakPolarHBondContact O-CB 3.39Å; I153-H191 PolarHBondContact O-N 3.04Å; I153-S194 PolarHBondContact N-OG 3.05Å; I153-S194 VanDerWaalsContact N-OG 3.12Å; I153-S194 PolarHBondContact O-OG 2.9Å; I153-W201 HydrophobicContact CB-CH2 4.04Å; I153-W201 HydrophobicContact CB-CZ2 4.02Å; I153-W201 HydrophobicContact CB-CZ3 4.43Å; I153-W201 HydrophobicContact CD1-CB 4.13Å; I153-W201 HydrophobicContact CD1-CD2 3.36Å; I153-W201 HydrophobicContact CD1-CE3 3.57Å; I153-W201 HydrophobicContact CD1-CG 3.66Å; I153-W201 HydrophobicContact CD1-CH2 4.31Å; I153-W201 HydrophobicContact CD1-CZ2 4.16Å; I153-W201 HydrophobicContact CD1-CZ3 4.05Å; I153-W201 HydrophobicContact CG1-CD2 3.92Å; I153-W201 HydrophobicContact CG1-CE3 4.3Å; I153-W201 HydrophobicContact CG1-CG 4.36Å; I153-W201 HydrophobicContact CG1-CH2 4.21Å; I153-W201 HydrophobicContact CG1-CZ2 3.83Å; I153-W201 HydrophobicContact CG1-CZ3 4.44Å; I153-V206 HydrophobicContact CD1-CG2 4.27Å; I153-V206 HydrophobicContact CG2-CG1 4.32Å; I153-F208 HydrophobicContact CG2-CE1 4.47Å; I153-F208 HydrophobicContact CG2-CZ 3.76Å; I153-V236 HydrophobicContact CG2-CG1 4.47Å; I153-H237 WeakPolarHBondContact CA-O 3.47Å; I153-I238 HydrophobicContact CG1-CG1 4.47Å |
| 154 | A | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 166 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V188 Y189 I190 H237 I239 | A154-V188 HydrophobicContact CB-CG1 3.7Å; A154-Y189 CarbonylContact C-O 3.57Å; A154-Y189 VanDerWaalsContact CA-O 3.29Å; A154-Y189 WeakPolarHBondContact CA-O 3.38Å; A154-I190 HydrophobicContact CB-CG1 4.4Å; A154-H237 HydrophobicContact CB-CB 4.49Å; A154-H237 PolarHBondContact N-O 3.47Å; A154-H237 PolarHBondContact O-N 3.03Å; A154-I239 HydrophobicContact CB-CD1 4.3Å |
| 155 | M | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 130.1 | 175.1 | 179.1 | 168.5 | -67.5 | 0 | 0 | 110.8 | M134 M138 Y189 F208 L211 R235 V236 | M134-M155 HydrophobicContact CE-SD 4.06Å; M138-M155 HydrophobicContact CB-CE 3.85Å; M138-M155 HydrophobicContact CB-SD 4.48Å; M138-M155 HydrophobicContact CG-CE 3.67Å; M138-M155 HydrophobicContact SD-CE 3.3Å; M138-M155 WeakPolarHBondContact SD-CE 3.41Å; M138-M155 HydrophobicContact SD-SD 4.3Å; M155-Y189 PolarHBondContact N-O 3.45Å; M155-Y189 PolarHBondContact O-N 3.19Å; M155-F208 HydrophobicContact CB-CD1 3.83Å; M155-F208 HydrophobicContact CB-CE1 3.63Å; M155-F208 HydrophobicContact CB-CZ 4.27Å; M155-F208 HydrophobicContact CE-CB 4.06Å; M155-F208 HydrophobicContact CE-CD1 3.8Å; M155-F208 HydrophobicContact CE-CD2 3.39Å; M155-F208 HydrophobicContact CE-CE1 4.02Å; M155-F208 HydrophobicContact CE-CE2 3.63Å; M155-F208 HydrophobicContact CE-CG 3.47Å; M155-F208 VanDerWaalsContact CE-CG 3.47Å; M155-F208 HydrophobicContact CE-CZ 3.93Å; M155-F208 HydrophobicContact SD-CB 4.21Å; M155-F208 HydrophobicContact SD-CD1 4.14Å; M155-F208 HydrophobicContact SD-CG 4.06Å; M155-L211 HydrophobicContact CB-CD1 4.16Å; M155-L211 HydrophobicContact CG-CD1 3.93Å; M155-L211 HydrophobicContact SD-CD1 3.44Å; M155-L211 WeakPolarHBondContact SD-CD1 3.25Å; M155-R235 VanDerWaalsContact CA-O 3.25Å; M155-R235 WeakPolarHBondContact CA-O 3.48Å; M155-R235 WeakPolarHBondContact CG-O 3.21Å; M155-V236 HydrophobicContact CE-CG2 3.59Å |
| 156 | D | 97.2 | Very high | 97 | Very high | 12 Ų | 12 | 57.5 Ų | 57.5 | 6% | 0.064 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 172 | 162.9 | 87.4 | 11.5 | 0 | 0 | 0 | 111.2 | V188 P234 R235 H237 V253 | D156-V188 HydrophobicContact CB-CG2 4.23Å; D156-P234 WeakPolarHBondContact O-CA 3.09Å; D156-R235 PolarHBondContact N-O 3.3Å; D156-R235 VanDerWaalsContact N-O 3.14Å; D156-R235 PolarHBondContact O-N 3.28Å; D156-R235 IonicContact OD1-CZ 3.44Å; D156-R235 IonicContact OD1-NE 3.01Å; D156-R235 PolarHBondContact OD1-NE 2.93Å; D156-R235 IonicContact OD1-NH2 3.69Å; D156-R235 PolarHBondContact OD1-NH2 3.13Å; D156-R235 IonicContact OD2-CZ 3.85Å; D156-R235 IonicContact OD2-NE 3.28Å; D156-R235 IonicContact OD2-NH2 3.15Å; D156-R235 PolarHBondContact OD2-NH2 3.38Å; D156-H237 VanDerWaalsContact CG-NE2 3.27Å; D156-H237 IonicContact OD1-CE1 2.7Å; D156-H237 IonicContact OD1-NE2 2.68Å; D156-H237 PolarHBondContact OD1-NE2 3.01Å; D156-H237 IonicContact OD2-CE1 3.34Å; D156-H237 IonicContact OD2-NE2 3.88Å; D156-V253 HydrophobicContact CB-CG2 4.29Å |
| 157 | I | 97.8 | Very high | 97.1 | Very high | 17 Ų | 17 | 56.1 Ų | 56.1 | 9% | 0.087 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 108.3 | -179.2 | -60.2 | -177.8 | 0 | 0 | 0 | 107.4 | M134 L213 I224 L226 Y232 P234 F269 | M134-I157 HydrophobicContact SD-CD1 4.29Å; I157-L213 HydrophobicContact CD1-CD2 3.47Å; I157-L213 VanDerWaalsContact CD1-CD2 3.47Å; I157-I224 HydrophobicContact CB-CG2 4.29Å; I157-I224 HydrophobicContact CD1-CD1 3.87Å; I157-I224 HydrophobicContact CD1-CG2 4.31Å; I157-I224 HydrophobicContact CG1-CD1 3.96Å; I157-L226 HydrophobicContact CB-CD2 4.29Å; I157-L226 HydrophobicContact CG2-CD1 4.16Å; I157-L226 HydrophobicContact CG2-CD2 3.82Å; I157-Y232 HydrophobicContact CG2-CD1 4.02Å; I157-Y232 HydrophobicContact CG2-CG 4.01Å; I157-P234 HydrophobicContact CG1-CB 4.31Å; I157-F269 HydrophobicContact CD1-CZ 4.28Å; I157-F269 HydrophobicContact CG2-CZ 4.24Å |
| 158 | V | 96.7 | Very high | 97.2 | Very high | 40 Ų | 40 | 53.5 Ų | 53.5 | 24% | 0.242 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 148.2 | -176.4 | -68.1 | 0 | 0 | 0 | 0 | 111.9 | Y232 Q233 R235 | V158-Y232 CarbonylContact O-C 3.58Å; V158-Y232 VanDerWaalsContact O-CA 3.29Å; V158-Y232 WeakPolarHBondContact O-CA 3.31Å; V158-Q233 HydrophobicContact CG2-CB 4.27Å; V158-Q233 PolarHBondContact N-O 3.1Å; V158-Q233 PolarHBondContact O-N 2.88Å; V158-R235 HydrophobicContact CG2-CG 4.15Å |
| 159 | P | 97.1 | Very high | 97.2 | Very high | 88 Ų | 88 | 51.8 Ų | 51.8 | 57% | 0.571 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 141.1 | 174 | 27.9 | -34.6 | 0 | 0 | 0 | 110.9 | K231 Y232 | P159-K231 WeakPolarHBondContact CA-O 3.31Å; P159-Y232 HydrophobicContact CB-CD1 4.27Å; P159-Y232 HydrophobicContact CB-CE1 4.09Å |
| 160 | V | 97.4 | Very high | 97.2 | Very high | 71 Ų | 71 | 57.3 Ų | 57.3 | 43% | 0.43 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -81.1 | -35.8 | 177.7 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | K231 Q233 V268 | V160-K231 HydrophobicContact CB-CB 3.93Å; V160-K231 HydrophobicContact CG2-CB 4.24Å; V160-K231 PolarHBondContact N-O 2.84Å; V160-Q233 HydrophobicContact CG2-CB 3.9Å; V160-V268 HydrophobicContact CG2-CG1 4.05Å; V160-V268 HydrophobicContact CG2-CG2 4.34Å |
| 161 | D | 96.8 | Very high | 97.1 | Very high | 39 Ų | 39 | 56.3 Ų | 56.3 | 21% | 0.209 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -149.4 | 164.7 | 177.8 | 58.3 | 20.5 | 0 | 0 | 0 | 111.9 | K163 Y165 | D161-K163 HydrophobicContact CB-CD 4.41Å; D161-K163 HydrophobicContact CB-CG 4.43Å; D161-K163 PolarHBondContact O-N 3.49Å; D161-K163 VanDerWaalsContact O-N 3.15Å; D161-Y165 WeakPolarHBondContact OD1-CE2 3.43Å; D161-Y165 PolarHBondContact OD2-OH 2.97Å |
| 162 | N | 96.6 | Very high | 97.1 | Very high | 118 Ų | 118 | 60 Ų | 60 | 63% | 0.631 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -86.3 | 49.2 | 175.6 | -170 | 3.9 | 0 | 0 | 0 | 111 | A180 | N162-A180 PolarHBondContact O-N 3Å; N162-A180 WeakPolarHBondContact OD1-CB 3.39Å; N162-A180 PolarHBondContact OD1-N 3.49Å |
| 163 | K | 97.6 | Very high | 97 | Very high | 94 Ų | 94 | 63.7 Ų | 63.7 | 41% | 0.409 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 137.5 | -174.9 | -62.6 | 172.8 | -173.5 | 163.1 | 0 | 112.2 | D161 Y165 V176 G178 H230 | D161-K163 HydrophobicContact CB-CD 4.41Å; D161-K163 HydrophobicContact CB-CG 4.43Å; D161-K163 PolarHBondContact O-N 3.49Å; D161-K163 VanDerWaalsContact O-N 3.15Å; K163-Y165 HydrophobicContact CB-CE2 3.89Å; K163-Y165 WeakPolarHBondContact O-CD2 3.24Å; K163-V176 HydrophobicContact CB-CG1 4.27Å; K163-V176 HydrophobicContact CD-CG1 4.33Å; K163-V176 HydrophobicContact CD-CG2 3.97Å; K163-V176 HydrophobicContact CG-CG1 4.36Å; K163-G178 WeakPolarHBondContact CA-O 3.32Å; K163-H230 PolarHBondContact O-CD2 3.44Å |
| 164 | R | 98.1 | Very high | 97 | Very high | 108 Ų | 108 | 66.1 Ų | 66.1 | 41% | 0.408 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 137.8 | 168.8 | -173.8 | 167.9 | 173.6 | 173.1 | -2.3 | 109.7 | A177 G178 N179 D181 | R164-A177 PolarHBondContact O-N 2.96Å; R164-G178 PolarHBondContact N-O 2.9Å; R164-G178 PolarHBondContact O-N 2.85Å; R164-N179 WeakPolarHBondContact CB-O 3.48Å; R164-N179 PolarHBondContact N-O 3.22Å; R164-D181 IonicContact CZ-OD1 3.6Å; R164-D181 IonicContact CZ-OD2 2.78Å; R164-D181 IonicContact NE-OD2 3.33Å; R164-D181 VanDerWaalsContact NH1-CG 3.26Å; R164-D181 IonicContact NH1-OD1 3.69Å; R164-D181 PolarHBondContact NH1-OD1 2.76Å; R164-D181 IonicContact NH1-OD2 2.69Å; R164-D181 PolarHBondContact NH1-OD2 2.77Å |
| 165 | Y | 98.4 | Very high | 96.9 | Very high | 18 Ų | 18 | 70.8 Ų | 70.8 | 7% | 0.071 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 162.2 | -172.7 | -74.6 | -94.2 | 0 | 0 | 0 | 113.3 | D161 K163 M175 V176 M229 K231 | D161-Y165 WeakPolarHBondContact OD1-CE2 3.43Å; D161-Y165 PolarHBondContact OD2-OH 2.97Å; K163-Y165 HydrophobicContact CB-CE2 3.89Å; K163-Y165 WeakPolarHBondContact O-CD2 3.24Å; Y165-M175 CarbonylContact C-O 3.58Å; Y165-M175 WeakPolarHBondContact CA-O 3.36Å; Y165-M175 WeakPolarHBondContact CD1-O 3.35Å; Y165-V176 HydrophobicContact CD1-CG2 4.49Å; Y165-V176 HydrophobicContact CE1-CG2 3.97Å; Y165-M229 WeakPolarHBondContact CB-O 3.5Å; Y165-M229 PolarHBondContact N-O 3.46Å; Y165-M229 WeakPolarHBondContact O-CB 3.38Å; Y165-K231 HydrophobicContact CD2-CD 4.46Å; Y165-K231 HydrophobicContact CD2-CG 4.19Å; Y165-K231 HydrophobicContact CE1-CD 4.38Å; Y165-K231 HydrophobicContact CE2-CB 4.45Å; Y165-K231 HydrophobicContact CE2-CD 3.7Å; Y165-K231 HydrophobicContact CE2-CG 3.82Å; Y165-K231 VanDerWaalsContact CZ-NZ 3.32Å; Y165-K231 WeakPolarHBondContact OH-CE 3.4Å; Y165-K231 PolarHBondContact OH-NZ 3.09Å |
| 166 | R | 97.9 | Very high | 96.9 | Very high | 151 Ų | 151 | 74.6 Ų | 74.6 | 57% | 0.57 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 136.7 | 167.5 | -171.7 | 176.5 | 82.6 | 122.6 | -0.9 | 109.8 | M175 A177 | R166-M175 PolarHBondContact N-O 3.1Å; R166-M175 PolarHBondContact O-N 2.89Å; R166-A177 HydrophobicContact CB-CB 4.01Å |
| 167 | Y | 98.3 | Very high | 96.9 | Very high | 8 Ų | 8 | 77.2 Ų | 77.2 | 3% | 0.031 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 135.9 | 170.6 | -167.4 | -105.2 | 0 | 0 | 0 | 110.7 | Y169 S172 W174 Q276 N277 | Y167-Y169 AromaticContact CD1-CD1 3.96Å; Y167-Y169 HydrophobicContact CD1-CD1 3.96Å; Y167-Y169 HydrophobicContact CD1-CD2 4.19Å; Y167-Y169 AromaticContact CD1-CE1 3.9Å; Y167-Y169 HydrophobicContact CD1-CE1 3.9Å; Y167-Y169 HydrophobicContact CD1-CE2 4.11Å; Y167-Y169 HydrophobicContact CD1-CG 4.1Å; Y167-Y169 AromaticContact CD1-CZ 3.97Å; Y167-Y169 AromaticContact CE1-CD1 3.98Å; Y167-Y169 HydrophobicContact CE1-CD1 3.98Å; Y167-Y169 HydrophobicContact CE1-CE1 4.17Å; Y167-Y169 HydrophobicContact CE1-CG 4.35Å; Y167-S172 VanDerWaalsContact OH-CA 3.31Å; Y167-S172 WeakPolarHBondContact OH-CA 3.4Å; Y167-S172 WeakPolarHBondContact OH-CB 3.4Å; Y167-S172 PolarHBondContact OH-O 2.7Å; Y167-W174 AromaticContact CD2-CD1 3.94Å; Y167-W174 AromaticContact CD2-CD2 3.85Å; Y167-W174 HydrophobicContact CD2-CD2 3.85Å; Y167-W174 AromaticContact CD2-CE2 3.74Å; Y167-W174 HydrophobicContact CD2-CE3 4.45Å; Y167-W174 HydrophobicContact CD2-CG 4Å; Y167-W174 HydrophobicContact CD2-CZ2 4.26Å; Y167-W174 AromaticContact CD2-NE1 3.77Å; Y167-Q276 HydrophobicContact CD1-CB 3.76Å; Y167-Q276 HydrophobicContact CD2-CB 4.28Å; Y167-Q276 HydrophobicContact CE1-CB 4.48Å; Y167-Q276 HydrophobicContact CG-CB 3.62Å; Y167-Q276 HydrophobicContact CG-CG 4.5Å; Y167-N277 HydrophobicContact CE2-CB 4.02Å |
| 168 | V | 97.6 | Very high | 96.9 | Very high | 6 Ų | 6 | 78 Ų | 78 | 4% | 0.036 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 97.2 | -176.8 | -177.6 | 0 | 0 | 0 | 0 | 109 | H170 S171 S172 K173 M175 | V168-H170 VanDerWaalsContact CG1-CE1 3.47Å; V168-H170 WeakPolarHBondContact CG1-CE1 3.19Å; V168-H170 WeakPolarHBondContact CG1-NE2 3.38Å; V168-H170 PolarHBondContact O-N 3.34Å; V168-S171 WeakPolarHBondContact CG1-OG 3.31Å; V168-S171 CarbonylContact O-C 3.52Å; V168-S171 PolarHBondContact O-N 3.14Å; V168-S171 VanDerWaalsContact O-N 3.16Å; V168-S171 PolarHBondContact O-OG 3.31Å; V168-S172 PolarHBondContact O-N 3.43Å; V168-K173 PolarHBondContact N-O 3.02Å; V168-K173 PolarHBondContact O-N 3.15Å; V168-M175 HydrophobicContact CG2-CB 4.27Å; V168-M175 HydrophobicContact CG2-CE 3.91Å; V168-M175 HydrophobicContact CG2-CG 3.75Å; V168-M175 HydrophobicContact CG2-SD 3.91Å |
| 169 | Y | 96.1 | Very high | 96.9 | Very high | 133 Ų | 133 | 82.2 Ų | 82.2 | 52% | 0.522 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -58.3 | -38.4 | -170.2 | -69 | -90.2 | 0 | 0 | 0 | 114.6 | Y167 S171 S172 Q276 | Y167-Y169 AromaticContact CD1-CD1 3.96Å; Y167-Y169 HydrophobicContact CD1-CD1 3.96Å; Y167-Y169 HydrophobicContact CD1-CD2 4.19Å; Y167-Y169 AromaticContact CD1-CE1 3.9Å; Y167-Y169 HydrophobicContact CD1-CE1 3.9Å; Y167-Y169 HydrophobicContact CD1-CE2 4.11Å; Y167-Y169 HydrophobicContact CD1-CG 4.1Å; Y167-Y169 AromaticContact CD1-CZ 3.97Å; Y167-Y169 AromaticContact CE1-CD1 3.98Å; Y167-Y169 HydrophobicContact CE1-CD1 3.98Å; Y167-Y169 HydrophobicContact CE1-CE1 4.17Å; Y167-Y169 HydrophobicContact CE1-CG 4.35Å; Y169-S171 VanDerWaalsContact C-N 3.26Å; Y169-S171 PolarHBondContact O-N 3.16Å; Y169-S172 PolarHBondContact O-N 3.02Å; Y169-Q276 WeakPolarHBondContact CE1-O 3.36Å; Y169-Q276 PolarHBondContact OH-OE1 3.14Å |
| 170 | H | 95.1 | Very high | 96.8 | Very high | 172 Ų | 172 | 79.2 Ų | 79.2 | 80% | 0.796 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -74.4 | -12.7 | -178 | 64.5 | 73.7 | 0 | 0 | 0 | 114.1 | V168 | V168-H170 VanDerWaalsContact CG1-CE1 3.47Å; V168-H170 WeakPolarHBondContact CG1-CE1 3.19Å; V168-H170 WeakPolarHBondContact CG1-NE2 3.38Å; V168-H170 PolarHBondContact O-N 3.34Å |
| 171 | S | 94.5 | Very high | 96.6 | Very high | 47 Ų | 47 | 78.6 Ų | 78.6 | 33% | 0.329 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -118.5 | 2.4 | 174.1 | 59.3 | 0 | 0 | 0 | 0 | 112.9 | V168 Y169 K173 | V168-S171 WeakPolarHBondContact CG1-OG 3.31Å; V168-S171 CarbonylContact O-C 3.52Å; V168-S171 PolarHBondContact O-N 3.14Å; V168-S171 VanDerWaalsContact O-N 3.16Å; V168-S171 PolarHBondContact O-OG 3.31Å; Y169-S171 VanDerWaalsContact C-N 3.26Å; Y169-S171 PolarHBondContact O-N 3.16Å; S171-K173 VanDerWaalsContact O-CG 3.32Å; S171-K173 WeakPolarHBondContact O-CG 3.48Å; S171-K173 PolarHBondContact O-N 3.28Å |
| 172 | S | 95.1 | Very high | 96.4 | Very high | 77 Ų | 77 | 81.5 Ų | 81.5 | 54% | 0.538 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 37.1 | -174.8 | -61.3 | 0 | 0 | 0 | 0 | 114.5 | Y167 V168 Y169 | Y167-S172 VanDerWaalsContact OH-CA 3.31Å; Y167-S172 WeakPolarHBondContact OH-CA 3.4Å; Y167-S172 WeakPolarHBondContact OH-CB 3.4Å; Y167-S172 PolarHBondContact OH-O 2.7Å; V168-S172 PolarHBondContact O-N 3.43Å; Y169-S172 PolarHBondContact O-N 3.02Å |
| 173 | K | 95.1 | Very high | 96 | Very high | 139 Ų | 139 | 82 Ų | 82 | 60% | 0.604 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 144.6 | -171.4 | -79.9 | 168.8 | -175.6 | -175.6 | 0 | 113.1 | V168 S171 | V168-K173 PolarHBondContact N-O 3.02Å; V168-K173 PolarHBondContact O-N 3.15Å; S171-K173 VanDerWaalsContact O-CG 3.32Å; S171-K173 WeakPolarHBondContact O-CG 3.48Å; S171-K173 PolarHBondContact O-N 3.28Å |
| 174 | W | 97.3 | Very high | 95.7 | Very high | 51 Ų | 51 | 79.1 Ų | 79.1 | 19% | 0.193 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 131.7 | 165.2 | -73.5 | 102.6 | 0 | 0 | 0 | 110.3 | E124 Y167 M229 T270 V272 Q276 | E124-W174 HydrophobicContact CG-CZ2 4.04Å; Y167-W174 AromaticContact CD2-CD1 3.94Å; Y167-W174 AromaticContact CD2-CD2 3.85Å; Y167-W174 HydrophobicContact CD2-CD2 3.85Å; Y167-W174 AromaticContact CD2-CE2 3.74Å; Y167-W174 HydrophobicContact CD2-CE3 4.45Å; Y167-W174 HydrophobicContact CD2-CG 4Å; Y167-W174 HydrophobicContact CD2-CZ2 4.26Å; Y167-W174 AromaticContact CD2-NE1 3.77Å; W174-M229 HydrophobicContact CH2-CE 3.97Å; W174-M229 HydrophobicContact CH2-SD 4.35Å; W174-M229 HydrophobicContact CZ3-CE 3.65Å; W174-M229 HydrophobicContact CZ3-SD 4.43Å; W174-T270 HydrophobicContact CE3-CG2 4.41Å; W174-T270 HydrophobicContact CH2-CG2 3.67Å; W174-T270 HydrophobicContact CZ2-CG2 4Å; W174-T270 HydrophobicContact CZ3-CG2 3.89Å; W174-V272 HydrophobicContact CH2-CG1 3.8Å; W174-V272 HydrophobicContact CZ2-CG1 4.25Å; W174-Q276 HydrophobicContact CH2-CB 4.36Å; W174-Q276 HydrophobicContact CH2-CG 3.84Å; W174-Q276 HydrophobicContact CZ2-CB 4.23Å; W174-Q276 HydrophobicContact CZ2-CG 4.16Å |
| 175 | M | 97.3 | Very high | 95.2 | Very high | 97 Ų | 97 | 77.9 Ų | 77.9 | 48% | 0.478 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 155.4 | 171.9 | -54.4 | -161.6 | -25.4 | 0 | 0 | 110.5 | Y165 R166 V168 | Y165-M175 CarbonylContact C-O 3.58Å; Y165-M175 WeakPolarHBondContact CA-O 3.36Å; Y165-M175 WeakPolarHBondContact CD1-O 3.35Å; R166-M175 PolarHBondContact N-O 3.1Å; R166-M175 PolarHBondContact O-N 2.89Å; V168-M175 HydrophobicContact CG2-CB 4.27Å; V168-M175 HydrophobicContact CG2-CE 3.91Å; V168-M175 HydrophobicContact CG2-CG 3.75Å; V168-M175 HydrophobicContact CG2-SD 3.91Å |
| 176 | V | 98.1 | Very high | 94.8 | Very high | 80 Ų | 80 | 80.3 Ų | 80.3 | 49% | 0.485 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 136.1 | 170.7 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | K163 Y165 | K163-V176 HydrophobicContact CB-CG1 4.27Å; K163-V176 HydrophobicContact CD-CG1 4.33Å; K163-V176 HydrophobicContact CD-CG2 3.97Å; K163-V176 HydrophobicContact CG-CG1 4.36Å; Y165-V176 HydrophobicContact CD1-CG2 4.49Å; Y165-V176 HydrophobicContact CE1-CG2 3.97Å |
| 177 | A | 97.1 | Very high | 94.6 | Very high | 68 Ų | 68 | 75.1 Ų | 75.1 | 56% | 0.562 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.5 | -22.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R164 R166 | R164-A177 PolarHBondContact O-N 2.96Å; R166-A177 HydrophobicContact CB-CB 4.01Å |
| 178 | G | 96.8 | Very high | 94.5 | Very high | 32 Ų | 32 | 75 Ų | 75 | 33% | 0.33 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.6 | -167.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K163 R164 | K163-G178 WeakPolarHBondContact CA-O 3.32Å; R164-G178 PolarHBondContact N-O 2.9Å; R164-G178 PolarHBondContact O-N 2.85Å |
| 179 | N | 96.3 | Very high | 94.5 | Very high | 129 Ų | 129 | 76.8 Ų | 76.8 | 69% | 0.69 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 161.5 | 166.9 | -61 | 69.2 | 0 | 0 | 0 | 111.3 | R164 | R164-N179 WeakPolarHBondContact CB-O 3.48Å; R164-N179 PolarHBondContact N-O 3.22Å |
| 180 | A | 95 | Very high | 94.5 | Very high | 26 Ų | 26 | 73.1 Ų | 73.1 | 22% | 0.215 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 158.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N162 H230 | N162-A180 PolarHBondContact O-N 3Å; N162-A180 WeakPolarHBondContact OD1-CB 3.39Å; N162-A180 PolarHBondContact OD1-N 3.49Å; A180-H230 VanDerWaalsContact CA-NE2 3.26Å; A180-H230 WeakPolarHBondContact CA-NE2 3.46Å; A180-H230 WeakPolarHBondContact CB-NE2 3.43Å |
| 181 | D | 92.9 | Very high | 94.7 | Very high | 58 Ų | 58 | 65.4 Ų | 65.4 | 31% | 0.31 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 154.7 | 166.6 | -58.2 | -33 | 0 | 0 | 0 | 110.1 | R164 H230 | R164-D181 IonicContact CZ-OD1 3.6Å; R164-D181 IonicContact CZ-OD2 2.78Å; R164-D181 IonicContact NE-OD2 3.33Å; R164-D181 VanDerWaalsContact NH1-CG 3.26Å; R164-D181 IonicContact NH1-OD1 3.69Å; R164-D181 PolarHBondContact NH1-OD1 2.76Å; R164-D181 IonicContact NH1-OD2 2.69Å; R164-D181 PolarHBondContact NH1-OD2 2.77Å; D181-H230 PolarHBondContact N-NE2 3.32Å; D181-H230 VanDerWaalsContact N-NE2 3.13Å; D181-H230 IonicContact OD2-CE1 3.97Å; D181-H230 PolarHBondContact OD2-CE1 3.27Å; D181-H230 VanDerWaalsContact OD2-CE1 3.29Å |
| 182 | S | 92.7 | Very high | 94.8 | Very high | 100 Ų | 100 | 66.5 Ų | 66.5 | 70% | 0.699 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -51.5 | 139.7 | -172.4 | -60.7 | 0 | 0 | 0 | 0 | 113.9 | V184 H227 | S182-V184 PolarHBondContact O-N 2.84Å; S182-H227 PolarHBondContact O-CD2 3.32Å; S182-H227 PolarHBondContact O-NE2 2.83Å |
| 183 | P | 89.4 | Confident | 94.8 | Very high | 128 Ų | 128 | 66.7 Ų | 66.7 | 83% | 0.831 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 130.4 | -175.1 | 25.5 | -34.7 | 0 | 0 | 0 | 112.2 | ||
| 184 | V | 89.8 | Confident | 94.9 | Very high | 33 Ų | 33 | 61.3 Ų | 61.3 | 20% | 0.2 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 154.5 | 176.9 | -64.1 | 0 | 0 | 0 | 0 | 111.6 | S182 I225 | S182-V184 PolarHBondContact O-N 2.84Å; V184-I225 HydrophobicContact CB-CG2 4.2Å; V184-I225 HydrophobicContact CG1-CG2 3.91Å |
| 185 | P | 88.8 | Confident | 94.8 | Very high | 83 Ų | 83 | 61.5 Ų | 61.5 | 54% | 0.539 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 129.1 | 172.8 | -26.8 | 35.8 | 0 | 0 | 0 | 111.8 | R187 | P185-R187 PolarHBondContact O-N 2.8Š|
| 186 | P | 89.1 | Confident | 94.9 | Very high | 68 Ų | 68 | 57.5 Ų | 57.5 | 44% | 0.442 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 136.8 | -179.8 | -27.8 | 35.9 | 0 | 0 | 0 | 112.9 | N250 P252 | P186-N250 CarbonylContact O-C 3.56Å; P186-P252 HydrophobicContact CB-CG 4.12Å; P186-P252 HydrophobicContact CG-CG 4.03Å |
| 187 | R | 94.7 | Very high | 94.8 | Very high | 42 Ų | 42 | 55 Ų | 55 | 16% | 0.158 | 34% | 0.342 | C | S | . | . | trans | -134.5 | 138.1 | 175.6 | -72.6 | -170.3 | 175.3 | -163.5 | -5.9 | 112.4 | P185 D219 H223 I225 A249 | P185-R187 PolarHBondContact O-N 2.8Å; R187-D219 VanDerWaalsContact CZ-O 3.28Å; R187-D219 PolarHBondContact NH1-O 2.97Å; R187-D219 IonicContact NH1-OD2 2.7Å; R187-D219 PolarHBondContact NH1-OD2 2.8Å; R187-D219 PolarHBondContact NH2-O 3.12Å; R187-H223 WeakPolarHBondContact CD-O 3.38Å; R187-H223 PolarHBondContact NH1-O 3.29Å; R187-I225 VanDerWaalsContact CZ-CD1 3.45Å; R187-A249 VanDerWaalsContact CA-O 3.31Å; R187-A249 WeakPolarHBondContact CA-O 3.48Å | ||
| 188 | V | 95.9 | Very high | 94.8 | Very high | 7 Ų | 7 | 51.8 Ų | 51.8 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | trans | -123.8 | 118.5 | -175.3 | 177.6 | 0 | 0 | 0 | 0 | 108.7 | A154 D156 I190 L247 A249 K251 V253 | A154-V188 HydrophobicContact CB-CG1 3.7Å; D156-V188 HydrophobicContact CB-CG2 4.23Å; V188-I190 HydrophobicContact CG1-CG1 4.35Å; V188-I190 PolarHBondContact O-N 2.96Å; V188-L247 HydrophobicContact CG1-CD1 4.34Å; V188-A249 PolarHBondContact N-O 2.96Å; V188-A249 WeakPolarHBondContact O-CA 3.47Å; V188-K251 WeakPolarHBondContact CG2-O 3.26Å; V188-V253 HydrophobicContact CB-CG2 4.37Å; V188-V253 HydrophobicContact CG1-CG2 3.88Å; V188-V253 HydrophobicContact CG2-CG2 3.5Å | ||
| 189 | Y | 97.4 | Very high | 94.8 | Very high | 43 Ų | 43 | 53.4 Ų | 53.4 | 17% | 0.169 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 106.8 | 172 | -179.8 | -91.1 | 0 | 0 | 0 | 109.3 | A154 M155 F208 K210 L211 | A154-Y189 CarbonylContact C-O 3.57Å; A154-Y189 VanDerWaalsContact CA-O 3.29Å; A154-Y189 WeakPolarHBondContact CA-O 3.38Å; M155-Y189 PolarHBondContact N-O 3.45Å; M155-Y189 PolarHBondContact O-N 3.19Å; Y189-F208 AromaticContact CD1-CD1 3.73Å; Y189-F208 HydrophobicContact CD1-CD1 3.73Å; Y189-F208 HydrophobicContact CD1-CE1 4.25Å; Y189-F208 AromaticContact CE1-CD1 3.89Å; Y189-F208 HydrophobicContact CE1-CD1 3.89Å; Y189-K210 WeakPolarHBondContact OH-CB 3.48Å; Y189-L211 HydrophobicContact CD1-CB 4.17Å; Y189-L211 HydrophobicContact CD1-CD1 3.9Å; Y189-L211 HydrophobicContact CD1-CG 4.21Å; Y189-L211 HydrophobicContact CD2-CB 4.11Å; Y189-L211 HydrophobicContact CD2-CG 4.02Å; Y189-L211 HydrophobicContact CE1-CB 4.27Å; Y189-L211 HydrophobicContact CE2-CB 4.24Å; Y189-L211 HydrophobicContact CG-CB 4.08Å; Y189-L211 HydrophobicContact CG-CD1 3.78Å; Y189-L211 HydrophobicContact CG-CG 3.78Å |
| 190 | I | 97.1 | Very high | 94.9 | Very high | 55 Ų | 55 | 49.5 Ų | 49.5 | 28% | 0.282 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 131.2 | 172.3 | -56.7 | 175 | 0 | 0 | 0 | 108.2 | Y152 A154 V188 L247 | Y152-I190 HydrophobicContact CD1-CG2 4.36Å; A154-I190 HydrophobicContact CB-CG1 4.4Å; V188-I190 HydrophobicContact CG1-CG1 4.35Å; V188-I190 PolarHBondContact O-N 2.96Å; I190-L247 HydrophobicContact CD1-CD1 4.28Å; I190-L247 HydrophobicContact CD1-CD2 4.1Å; I190-L247 HydrophobicContact CD1-CG 3.95Å |
| 191 | H | 97.6 | Very high | 95.1 | Very high | 11 Ų | 11 | 48.6 Ų | 48.6 | 5% | 0.051 | 29% | 0.288 | C | S | . | . | trans | -64.8 | 131.7 | 178.1 | -168.9 | -91.5 | 0 | 0 | 0 | 109.5 | I153 D193 S194 W201 S207 F208 | I153-H191 HydrophobicContact CB-CB 4.38Å; I153-H191 VanDerWaalsContact O-CB 3.31Å; I153-H191 WeakPolarHBondContact O-CB 3.39Å; I153-H191 PolarHBondContact O-N 3.04Å; H191-D193 IonicContact CE1-OD1 3.31Å; H191-D193 IonicContact CE1-OD2 3.03Å; H191-D193 PolarHBondContact CE1-OD2 2.99Å; H191-D193 VanDerWaalsContact CE1-OD2 3.31Å; H191-D193 PolarHBondContact ND1-N 2.83Å; H191-D193 IonicContact ND1-OD2 3.29Å; H191-D193 PolarHBondContact O-N 2.78Å; H191-D193 VanDerWaalsContact O-N 3.07Å; H191-S194 VanDerWaalsContact O-CB 3.24Å; H191-S194 WeakPolarHBondContact O-CB 3.35Å; H191-S194 PolarHBondContact O-N 3.02Å; H191-S194 PolarHBondContact O-OG 3.07Å; H191-W201 HydrophobicContact CB-CH2 4.15Å; H191-W201 AromaticContact ND1-CH2 3.5Å; H191-W201 WeakPolarHBondContact ND1-CH2 3.44Å; H191-W201 AromaticContact ND1-CZ3 3.5Å; H191-S207 PolarHBondContact NE2-O 3.43Å; H191-F208 HydrophobicContact CB-CE1 4.41Å | ||
| 192 | P | 96.8 | Very high | 95.3 | Very high | 70 Ų | 70 | 48.3 Ų | 48.3 | 46% | 0.455 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -21.9 | -169.5 | 24.1 | -35.3 | 0 | 0 | 0 | 114.1 | S194 K210 | P192-S194 PolarHBondContact O-N 3.29Å; P192-K210 HydrophobicContact CG-CD 4.24Å |
| 193 | D | 96.6 | Very high | 95.5 | Very high | 81 Ų | 81 | 51 Ų | 51 | 43% | 0.433 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 1.8 | 178.8 | -48.7 | -3.1 | 0 | 0 | 0 | 112 | H191 W201 | H191-D193 IonicContact CE1-OD1 3.31Å; H191-D193 IonicContact CE1-OD2 3.03Å; H191-D193 PolarHBondContact CE1-OD2 2.99Å; H191-D193 VanDerWaalsContact CE1-OD2 3.31Å; H191-D193 PolarHBondContact ND1-N 2.83Å; H191-D193 IonicContact ND1-OD2 3.29Å; H191-D193 PolarHBondContact O-N 2.78Å; H191-D193 VanDerWaalsContact O-N 3.07Å; D193-W201 HydrophobicContact CB-CH2 4.02Å; D193-W201 HydrophobicContact CB-CZ3 4.21Å |
| 194 | S | 95.9 | Very high | 95.9 | Very high | 26 Ų | 26 | 51 Ų | 51 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | trans | -76.5 | 134.9 | 168.2 | -48.9 | 0 | 0 | 0 | 0 | 109.6 | I153 H191 P192 | I153-S194 PolarHBondContact N-OG 3.05Å; I153-S194 VanDerWaalsContact N-OG 3.12Å; I153-S194 PolarHBondContact O-OG 2.9Å; H191-S194 VanDerWaalsContact O-CB 3.24Å; H191-S194 WeakPolarHBondContact O-CB 3.35Å; H191-S194 PolarHBondContact O-N 3.02Å; H191-S194 PolarHBondContact O-OG 3.07Å; P192-S194 PolarHBondContact O-N 3.29Å | ||
| 195 | L | 96.4 | Very high | 96.3 | Very high | 55 Ų | 55 | 52.3 Ų | 52.3 | 29% | 0.288 | 28% | 0.277 | S | S | . | . | S | Bend | cis | -95.6 | 128.3 | 10.4 | 175.7 | 61 | 0 | 0 | 0 | 112.5 | Q150 Y151 Y152 K241 | Q150-L195 HydrophobicContact CB-CD1 3.65Å; Q150-L195 HydrophobicContact CB-CD2 4.27Å; Q150-L195 HydrophobicContact CB-CG 3.97Å; Y151-L195 VanDerWaalsContact C-CD1 3.46Å; Y151-L195 WeakPolarHBondContact O-CD1 3.3Å; Y152-L195 HydrophobicContact CD2-CD1 3.78Å; Y152-L195 HydrophobicContact CE1-CB 4.08Å; Y152-L195 HydrophobicContact CE2-CB 4.4Å; Y152-L195 HydrophobicContact CE2-CD1 3.69Å; Y152-L195 HydrophobicContact CE2-CD2 4.18Å; Y152-L195 HydrophobicContact CE2-CG 4.31Å; Y152-L195 HydrophobicContact CG-CD1 4.29Å; L195-K241 HydrophobicContact CD1-CB 4.25Å; L195-K241 HydrophobicContact CD1-CG 4.48Å; L195-K241 HydrophobicContact CD2-CB 4.44Å; L195-K241 HydrophobicContact CD2-CD 3.81Å; L195-K241 HydrophobicContact CD2-CG 3.81Å |
| 196 | A | 97.6 | Very high | 96.7 | Very high | 13 Ų | 13 | 48.6 Ų | 48.6 | 11% | 0.107 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 164.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q150 Y151 T200 W201 | Q150-A196 CarbonylContact C-O 3.52Å; Q150-A196 WeakPolarHBondContact CA-O 3.46Å; Y151-A196 PolarHBondContact N-O 3.44Å; Y151-A196 PolarHBondContact O-N 2.95Å; A196-T200 HydrophobicContact CB-CG2 3.77Å; A196-W201 HydrophobicContact CB-CD2 4.43Å; A196-W201 HydrophobicContact CB-CZ2 4.14Å; A196-W201 PolarHBondContact O-NE1 2.93Å |
| 197 | S | 97.5 | Very high | 97.2 | Very high | 27 Ų | 27 | 46.3 Ų | 46.3 | 19% | 0.189 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 157.9 | 178.1 | 68.8 | 0 | 0 | 0 | 0 | 112.7 | P147 Q149 D199 T200 W201 | P147-S197 WeakPolarHBondContact O-CB 3.38Å; Q149-S197 CarbonylContact O-C 3.57Å; Q149-S197 VanDerWaalsContact O-CA 3.32Å; Q149-S197 WeakPolarHBondContact O-CA 3.44Å; S197-D199 VanDerWaalsContact C-N 3.3Å; S197-D199 PolarHBondContact O-N 3.38Å; S197-T200 WeakPolarHBondContact O-CA 3.44Å; S197-T200 WeakPolarHBondContact O-CB 3.46Å; S197-T200 PolarHBondContact O-N 2.96Å; S197-T200 PolarHBondContact OG-N 3.5Å; S197-T200 PolarHBondContact OG-OG1 3.1Å; S197-W201 VanDerWaalsContact O-CD1 3.22Å; S197-W201 PolarHBondContact O-N 3.15Å; S197-W201 VanDerWaalsContact O-N 3.1Å |
| 198 | G | 96.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.7 | -41.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D146 Q149 T200 W201 M202 | D146-G198 VanDerWaalsContact O-CA 3.27Å; D146-G198 WeakPolarHBondContact O-CA 3.27Å; Q149-G198 PolarHBondContact O-N 2.7Å; G198-T200 VanDerWaalsContact C-N 3.29Å; G198-T200 PolarHBondContact O-N 3.16Å; G198-W201 PolarHBondContact O-N 2.94Å; G198-W201 VanDerWaalsContact O-N 3.13Å; G198-M202 WeakPolarHBondContact O-CG 3.49Å; G198-M202 PolarHBondContact O-N 3.22Å |
| 199 | D | 97.4 | Very high | 97.4 | Very high | 66 Ų | 66 | 46.4 Ų | 46.4 | 35% | 0.353 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57 | -44.4 | 172.7 | -176.7 | 65.5 | 0 | 0 | 0 | 111.3 | P147 S197 W201 M202 R203 | P147-D199 HydrophobicContact CB-CB 4.11Å; P147-D199 PolarHBondContact O-N 2.91Å; S197-D199 VanDerWaalsContact C-N 3.3Å; S197-D199 PolarHBondContact O-N 3.38Å; D199-W201 VanDerWaalsContact C-N 3.27Å; D199-W201 PolarHBondContact O-N 2.84Å; D199-M202 PolarHBondContact O-N 2.94Å; D199-M202 VanDerWaalsContact O-N 3.12Å; D199-R203 VanDerWaalsContact O-CG 3.31Å; D199-R203 WeakPolarHBondContact O-CG 3.46Å; D199-R203 PolarHBondContact O-N 2.92Å; D199-R203 IonicContact OD2-CZ 3.52Å; D199-R203 IonicContact OD2-NE 2.74Å; D199-R203 IonicContact OD2-NH1 3.72Å; D199-R203 PolarHBondContact OD2-NH1 2.79Å |
| 200 | T | 97.8 | Very high | 97.3 | Very high | 47 Ų | 47 | 49.6 Ų | 49.6 | 29% | 0.288 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.4 | -34.5 | 178.6 | -60.7 | 0 | 0 | 0 | 0 | 113.1 | A196 S197 G198 R203 | A196-T200 HydrophobicContact CB-CG2 3.77Å; S197-T200 WeakPolarHBondContact O-CA 3.44Å; S197-T200 WeakPolarHBondContact O-CB 3.46Å; S197-T200 PolarHBondContact O-N 2.96Å; S197-T200 PolarHBondContact OG-N 3.5Å; S197-T200 PolarHBondContact OG-OG1 3.1Å; G198-T200 VanDerWaalsContact C-N 3.29Å; G198-T200 PolarHBondContact O-N 3.16Å; T200-R203 PolarHBondContact OG1-NH1 3.46Å; T200-R203 PolarHBondContact OG1-NH2 3.39Å |
| 201 | W | 97.9 | Very high | 97.4 | Very high | 8 Ų | 8 | 47 Ų | 47 | 3% | 0.03 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -78.3 | -29.6 | 175.3 | -67.7 | 124 | 0 | 0 | 0 | 113.8 | L145 Y151 I153 H191 D193 A196 S197 G198 D199 V206 | L145-W201 HydrophobicContact CD1-CB 3.64Å; L145-W201 HydrophobicContact CD1-CG 4.37Å; Y151-W201 PolarHBondContact O-NE1 3.2Å; I153-W201 HydrophobicContact CB-CH2 4.04Å; I153-W201 HydrophobicContact CB-CZ2 4.02Å; I153-W201 HydrophobicContact CB-CZ3 4.43Å; I153-W201 HydrophobicContact CD1-CB 4.13Å; I153-W201 HydrophobicContact CD1-CD2 3.36Å; I153-W201 HydrophobicContact CD1-CE3 3.57Å; I153-W201 HydrophobicContact CD1-CG 3.66Å; I153-W201 HydrophobicContact CD1-CH2 4.31Å; I153-W201 HydrophobicContact CD1-CZ2 4.16Å; I153-W201 HydrophobicContact CD1-CZ3 4.05Å; I153-W201 HydrophobicContact CG1-CD2 3.92Å; I153-W201 HydrophobicContact CG1-CE3 4.3Å; I153-W201 HydrophobicContact CG1-CG 4.36Å; I153-W201 HydrophobicContact CG1-CH2 4.21Å; I153-W201 HydrophobicContact CG1-CZ2 3.83Å; I153-W201 HydrophobicContact CG1-CZ3 4.44Å; H191-W201 HydrophobicContact CB-CH2 4.15Å; H191-W201 AromaticContact ND1-CH2 3.5Å; H191-W201 WeakPolarHBondContact ND1-CH2 3.44Å; H191-W201 AromaticContact ND1-CZ3 3.5Å; D193-W201 HydrophobicContact CB-CH2 4.02Å; D193-W201 HydrophobicContact CB-CZ3 4.21Å; A196-W201 HydrophobicContact CB-CD2 4.43Å; A196-W201 HydrophobicContact CB-CZ2 4.14Å; A196-W201 PolarHBondContact O-NE1 2.93Å; S197-W201 VanDerWaalsContact O-CD1 3.22Å; S197-W201 PolarHBondContact O-N 3.15Å; S197-W201 VanDerWaalsContact O-N 3.1Å; G198-W201 PolarHBondContact O-N 2.94Å; G198-W201 VanDerWaalsContact O-N 3.13Å; D199-W201 VanDerWaalsContact C-N 3.27Å; D199-W201 PolarHBondContact O-N 2.84Å; W201-V206 HydrophobicContact CE3-CG2 3.74Å; W201-V206 HydrophobicContact CZ3-CG1 4.12Å; W201-V206 HydrophobicContact CZ3-CG2 4.14Å |
| 202 | M | 97.8 | Very high | 97.4 | Very high | 52 Ų | 52 | 49.8 Ų | 49.8 | 26% | 0.256 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -81.3 | -26 | 178.4 | -66 | -171 | -66.5 | 0 | 0 | 113.2 | I142 L145 P147 G198 D199 Q204 | I142-M202 WeakPolarHBondContact O-CG 3.47Å; L145-M202 HydrophobicContact CB-CE 4.12Å; L145-M202 HydrophobicContact CB-CG 4.23Å; L145-M202 HydrophobicContact CB-SD 3.94Å; L145-M202 HydrophobicContact CD1-CG 4.12Å; L145-M202 HydrophobicContact CG-CG 4.3Å; L145-M202 HydrophobicContact CG-SD 4.45Å; L145-M202 PolarHBondContact N-SD 3.47Å; L145-M202 WeakPolarHBondContact O-CE 3.01Å; P147-M202 HydrophobicContact CG-CE 4.45Å; G198-M202 WeakPolarHBondContact O-CG 3.49Å; G198-M202 PolarHBondContact O-N 3.22Å; D199-M202 PolarHBondContact O-N 2.94Å; D199-M202 VanDerWaalsContact O-N 3.12Å; M202-Q204 PolarHBondContact O-N 3.35Å |
| 203 | R | 97.6 | Very high | 97.5 | Very high | 155 Ų | 155 | 46.5 Ų | 46.5 | 59% | 0.585 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -60.5 | -23 | -179.7 | -78 | -172.3 | -42.6 | -108 | 2.4 | 114.9 | D199 T200 | D199-R203 VanDerWaalsContact O-CG 3.31Å; D199-R203 WeakPolarHBondContact O-CG 3.46Å; D199-R203 PolarHBondContact O-N 2.92Å; D199-R203 IonicContact OD2-CZ 3.52Å; D199-R203 IonicContact OD2-NE 2.74Å; D199-R203 IonicContact OD2-NH1 3.72Å; D199-R203 PolarHBondContact OD2-NH1 2.79Å; T200-R203 PolarHBondContact OG1-NH1 3.46Å; T200-R203 PolarHBondContact OG1-NH2 3.39Å |
| 204 | Q | 96.9 | Very high | 97.6 | Very high | 130 Ų | 130 | 42.6 Ų | 42.6 | 61% | 0.607 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -154.4 | 169.2 | -179.3 | 66.2 | 175.8 | -2.9 | 0 | 0 | 114.2 | M202 V206 | M202-Q204 PolarHBondContact O-N 3.35Å; Q204-V206 PolarHBondContact O-N 3.38Å |
| 205 | V | 98.1 | Very high | 97.6 | Very high | 59 Ų | 59 | 44.9 Ų | 44.9 | 36% | 0.358 | 22% | 0.223 | S | C | . | . | trans | -71.1 | 123.5 | 175.5 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | Q110 R139 V140 K141 | Q110-V205 HydrophobicContact CB-CG1 4.26Å; Q110-V205 HydrophobicContact CG-CG1 3.79Å; Q110-V205 HydrophobicContact CG-CG2 3.88Å; R139-V205 HydrophobicContact CB-CG1 3.87Å; R139-V205 HydrophobicContact CG-CG1 4.44Å; V140-V205 CarbonylContact O-C 3.6Å; V140-V205 WeakPolarHBondContact O-CA 3.38Å; K141-V205 HydrophobicContact CB-CG2 4.39Å | ||
| 206 | V | 98.4 | Very high | 97.6 | Very high | 6 Ų | 6 | 44 Ų | 44 | 4% | 0.036 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 136.1 | 174.8 | -174.1 | 0 | 0 | 0 | 0 | 109.9 | R139 V140 I142 I153 W201 Q204 F208 | R139-V206 VanDerWaalsContact CA-O 3.27Å; R139-V206 WeakPolarHBondContact CA-O 3.38Å; V140-V206 HydrophobicContact CG2-CB 4.08Å; V140-V206 PolarHBondContact N-O 3.43Å; V140-V206 PolarHBondContact O-N 3.01Å; I142-V206 HydrophobicContact CD1-CG2 3.91Å; I153-V206 HydrophobicContact CD1-CG2 4.27Å; I153-V206 HydrophobicContact CG2-CG1 4.32Å; W201-V206 HydrophobicContact CE3-CG2 3.74Å; W201-V206 HydrophobicContact CZ3-CG1 4.12Å; W201-V206 HydrophobicContact CZ3-CG2 4.14Å; Q204-V206 PolarHBondContact O-N 3.38Å; V206-F208 HydrophobicContact CG1-CE2 4.19Å; V206-F208 HydrophobicContact CG1-CZ 4.38Å |
| 207 | S | 98 | Very high | 97.5 | Very high | 20 Ų | 20 | 49 Ų | 49 | 14% | 0.14 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 112.5 | -167.6 | -177.5 | 0 | 0 | 0 | 0 | 113.4 | R139 H191 D209 | R139-S207 PolarHBondContact NE-OG 3.12Å; R139-S207 PolarHBondContact NH2-OG 3.47Å; H191-S207 PolarHBondContact NE2-O 3.43Å; S207-D209 PolarHBondContact O-N 3.39Å; S207-D209 PolarHBondContact OG-OD1 2.86Å |
| 208 | F | 98.2 | Very high | 97.3 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | trans | -87.7 | 29.6 | 177.1 | -60 | -90.7 | 0 | 0 | 0 | 112.5 | M138 V140 I153 M155 Y189 H191 V206 K210 L211 V236 | M138-F208 HydrophobicContact CB-CB 4.47Å; M138-F208 PolarHBondContact O-N 2.91Å; V140-F208 HydrophobicContact CG2-CE2 4.26Å; I153-F208 HydrophobicContact CG2-CE1 4.47Å; I153-F208 HydrophobicContact CG2-CZ 3.76Å; M155-F208 HydrophobicContact CB-CD1 3.83Å; M155-F208 HydrophobicContact CB-CE1 3.63Å; M155-F208 HydrophobicContact CB-CZ 4.27Å; M155-F208 HydrophobicContact CE-CB 4.06Å; M155-F208 HydrophobicContact CE-CD1 3.8Å; M155-F208 HydrophobicContact CE-CD2 3.39Å; M155-F208 HydrophobicContact CE-CE1 4.02Å; M155-F208 HydrophobicContact CE-CE2 3.63Å; M155-F208 HydrophobicContact CE-CG 3.47Å; M155-F208 VanDerWaalsContact CE-CG 3.47Å; M155-F208 HydrophobicContact CE-CZ 3.93Å; M155-F208 HydrophobicContact SD-CB 4.21Å; M155-F208 HydrophobicContact SD-CD1 4.14Å; M155-F208 HydrophobicContact SD-CG 4.06Å; Y189-F208 AromaticContact CD1-CD1 3.73Å; Y189-F208 HydrophobicContact CD1-CD1 3.73Å; Y189-F208 HydrophobicContact CD1-CE1 4.25Å; Y189-F208 AromaticContact CE1-CD1 3.89Å; Y189-F208 HydrophobicContact CE1-CD1 3.89Å; H191-F208 HydrophobicContact CB-CE1 4.41Å; V206-F208 HydrophobicContact CG1-CE2 4.19Å; V206-F208 HydrophobicContact CG1-CZ 4.38Å; F208-K210 VanDerWaalsContact C-N 3.26Å; F208-K210 PolarHBondContact O-N 2.86Å; F208-L211 HydrophobicContact CB-CB 4.43Å; F208-L211 HydrophobicContact CB-CD1 4.4Å; F208-L211 VanDerWaalsContact O-CB 3.25Å; F208-L211 WeakPolarHBondContact O-CB 3.29Å; F208-L211 PolarHBondContact O-N 2.82Å; F208-V236 HydrophobicContact CE2-CG2 4.13Å; F208-V236 HydrophobicContact CZ-CG1 4.35Å; F208-V236 HydrophobicContact CZ-CG2 4.41Å | ||
| 209 | D | 96.6 | Very high | 97.2 | Very high | 50 Ų | 50 | 55.3 Ų | 55.3 | 27% | 0.267 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -17.7 | -176.6 | 72.8 | -79.9 | 0 | 0 | 0 | 113.9 | R133 A137 S207 | R133-D209 WeakPolarHBondContact CD-O 3.1Å; R133-D209 WeakPolarHBondContact CG-O 3.4Å; R133-D209 VanDerWaalsContact CZ-O 3.28Å; R133-D209 PolarHBondContact NE-O 3.12Å; R133-D209 PolarHBondContact NH1-O 2.97Å; R133-D209 IonicContact NH1-OD2 3.71Å; R133-D209 PolarHBondContact NH1-OD2 3.28Å; A137-D209 HydrophobicContact CB-CB 3.82Å; S207-D209 PolarHBondContact O-N 3.39Å; S207-D209 PolarHBondContact OG-OD1 2.86Å |
| 210 | K | 96.9 | Very high | 97 | Very high | 110 Ų | 110 | 58.7 Ų | 58.7 | 48% | 0.478 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -20.6 | 173.8 | -67.4 | 169.6 | -175 | 167 | 0 | 112.6 | Y189 P192 F208 | Y189-K210 WeakPolarHBondContact OH-CB 3.48Å; P192-K210 HydrophobicContact CG-CD 4.24Å; F208-K210 VanDerWaalsContact C-N 3.26Å; F208-K210 PolarHBondContact O-N 2.86Å |
| 211 | L | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | trans | -62.8 | 135.6 | -179.9 | -171 | 167.4 | 0 | 0 | 0 | 110.6 | R133 M134 M155 Y189 F208 L213 I224 | R133-L211 WeakPolarHBondContact CA-O 3.38Å; M134-L211 HydrophobicContact CE-CD1 4.23Å; M134-L211 HydrophobicContact CE-CD2 4.09Å; M155-L211 HydrophobicContact CB-CD1 4.16Å; M155-L211 HydrophobicContact CG-CD1 3.93Å; M155-L211 HydrophobicContact SD-CD1 3.44Å; M155-L211 WeakPolarHBondContact SD-CD1 3.25Å; Y189-L211 HydrophobicContact CD1-CB 4.17Å; Y189-L211 HydrophobicContact CD1-CD1 3.9Å; Y189-L211 HydrophobicContact CD1-CG 4.21Å; Y189-L211 HydrophobicContact CD2-CB 4.11Å; Y189-L211 HydrophobicContact CD2-CG 4.02Å; Y189-L211 HydrophobicContact CE1-CB 4.27Å; Y189-L211 HydrophobicContact CE2-CB 4.24Å; Y189-L211 HydrophobicContact CG-CB 4.08Å; Y189-L211 HydrophobicContact CG-CD1 3.78Å; Y189-L211 HydrophobicContact CG-CG 3.78Å; F208-L211 HydrophobicContact CB-CB 4.43Å; F208-L211 HydrophobicContact CB-CD1 4.4Å; F208-L211 VanDerWaalsContact O-CB 3.25Å; F208-L211 WeakPolarHBondContact O-CB 3.29Å; F208-L211 PolarHBondContact O-N 2.82Å; L211-L213 HydrophobicContact CD2-CD2 3.69Å; L211-I224 HydrophobicContact CD1-CD1 4.01Å; L211-I224 HydrophobicContact CD2-CD1 4.04Å; L211-I224 HydrophobicContact CD2-CG1 4.41Å; L211-I224 HydrophobicContact CG-CD1 4.2Å | ||
| 212 | K | 98.2 | Very high | 96.5 | Very high | 68 Ų | 68 | 64 Ų | 64 | 30% | 0.296 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 145.5 | 178.4 | -75 | 168.3 | 161 | -164.6 | 0 | 112.1 | A130 R132 R133 H223 I224 | A130-K212 PolarHBondContact O-NZ 3.13Å; R132-K212 CarbonylContact O-C 3.58Å; R132-K212 WeakPolarHBondContact O-CA 3.31Å; R133-K212 HydrophobicContact CG-CG 4.08Å; K212-H223 HydrophobicContact CB-CB 4.41Å; K212-H223 WeakPolarHBondContact CD-CD2 3.42Å; K212-H223 WeakPolarHBondContact CD-NE2 3.23Å; K212-H223 PolarHBondContact NZ-NE2 2.97Å; K212-I224 PolarHBondContact O-N 2.85Å; K212-I224 VanDerWaalsContact O-N 3.07Å |
| 213 | L | 98.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 132.2 | 174.2 | -49.8 | -178.1 | 0 | 0 | 0 | 110.2 | M125 I127 G131 R132 M134 I157 L211 I224 L226 F269 | M125-L213 HydrophobicContact CB-CD1 3.98Å; M125-L213 HydrophobicContact CG-CD1 4.46Å; I127-L213 HydrophobicContact CG2-CB 3.76Å; I127-L213 HydrophobicContact CG2-CD1 4.39Å; G131-L213 CarbonylContact C-O 3.41Å; G131-L213 WeakPolarHBondContact CA-O 3.48Å; R132-L213 PolarHBondContact N-O 2.88Å; R132-L213 PolarHBondContact O-N 3.49Å; M134-L213 HydrophobicContact CG-CD1 3.71Å; M134-L213 HydrophobicContact CG-CD2 4.3Å; M134-L213 HydrophobicContact CG-CG 3.91Å; M134-L213 HydrophobicContact SD-CD1 4.16Å; M134-L213 HydrophobicContact SD-CD2 4.33Å; M134-L213 HydrophobicContact SD-CG 4.5Å; I157-L213 HydrophobicContact CD1-CD2 3.47Å; I157-L213 VanDerWaalsContact CD1-CD2 3.47Å; L211-L213 HydrophobicContact CD2-CD2 3.69Å; L213-I224 CarbonylContact C-O 3.59Å; L213-I224 WeakPolarHBondContact CA-O 3.45Å; L213-I224 HydrophobicContact CD2-CB 4.22Å; L213-L226 HydrophobicContact CB-CD1 4.37Å; L213-L226 HydrophobicContact CD1-CD1 4.02Å; L213-L226 HydrophobicContact CD2-CD1 3.89Å; L213-L226 HydrophobicContact CG-CD1 4.31Å; L213-F269 HydrophobicContact CD1-CE2 4.06Å; L213-F269 HydrophobicContact CD1-CZ 3.75Å |
| 214 | T | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 154.8 | -179.7 | -170.2 | 0 | 0 | 0 | 0 | 111.9 | T128 K129 N216 D219 H223 I224 I225 L226 | T128-T214 WeakPolarHBondContact O-CA 3.49Å; T128-T214 PolarHBondContact O-OG1 3.13Å; T128-T214 VanDerWaalsContact O-OG1 3.08Å; K129-T214 PolarHBondContact O-OG1 3.44Å; T214-N216 WeakPolarHBondContact OG1-CB 3.35Å; T214-N216 PolarHBondContact OG1-N 2.9Å; T214-D219 HydrophobicContact CG2-CB 3.84Å; T214-H223 HydrophobicContact CG2-CB 3.78Å; T214-I224 PolarHBondContact N-O 3.26Å; T214-I225 HydrophobicContact CG2-CB 4.24Å; T214-I225 HydrophobicContact CG2-CG1 3.77Å; T214-I225 WeakPolarHBondContact O-CA 3.47Å; T214-L226 PolarHBondContact O-N 2.8Å |
| 215 | N | 97.2 | Very high | 96.5 | Very high | 73 Ų | 73 | 49.6 Ų | 49.6 | 39% | 0.39 | 26% | 0.26 | S | S | . | . | trans | -105.1 | 11.3 | 169.8 | 80.1 | -78.1 | 0 | 0 | 0 | 112.3 | I127 T128 K129 | I127-N215 HydrophobicContact CB-CB 4.4Å; I127-N215 HydrophobicContact CD1-CB 3.62Å; I127-N215 HydrophobicContact CG1-CB 3.92Å; T128-N215 WeakPolarHBondContact CA-OD1 3.42Å; K129-N215 PolarHBondContact N-OD1 2.73Å | ||
| 216 | N | 96.6 | Very high | 96.5 | Very high | 36 Ų | 36 | 47 Ų | 47 | 19% | 0.193 | 24% | 0.244 | C | C | . | . | trans | -93.4 | 108.3 | 177.8 | -177.7 | 29.4 | 0 | 0 | 0 | 109.7 | K129 T214 L218 D219 I225 | K129-N216 HydrophobicContact CG-CB 4.13Å; T214-N216 WeakPolarHBondContact OG1-CB 3.35Å; T214-N216 PolarHBondContact OG1-N 2.9Å; N216-L218 VanDerWaalsContact ND2-C 3.27Å; N216-L218 PolarHBondContact ND2-O 2.94Å; N216-L218 PolarHBondContact O-N 2.85Å; N216-L218 PolarHBondContact OD1-N 2.9Å; N216-D219 HydrophobicContact CB-CB 4.21Å; N216-D219 WeakPolarHBondContact ND2-CA 3.29Å; N216-D219 PolarHBondContact ND2-N 3.22Å; N216-D219 VanDerWaalsContact O-CB 3.32Å; N216-D219 WeakPolarHBondContact O-CB 3.31Å; N216-D219 PolarHBondContact O-N 3.21Å; N216-I225 WeakPolarHBondContact O-CG1 3.4Å | ||
| 217 | E | 94.4 | Very high | 96.4 | Very high | 120 Ų | 120 | 47.8 Ų | 47.8 | 56% | 0.561 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -25.6 | 175.9 | -65.5 | 175.7 | -175.5 | 0 | 0 | 112.6 | I225 H227 | E217-I225 WeakPolarHBondContact O-CD1 3.49Å; E217-H227 IonicContact OE1-CE1 3.48Å; E217-H227 PolarHBondContact OE1-CE1 3.07Å |
| 218 | L | 93.3 | Very high | 96.4 | Very high | 154 Ų | 154 | 48.3 Ų | 48.3 | 81% | 0.806 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | 42.2 | 179.4 | -53.2 | 179.2 | 0 | 0 | 0 | 111.3 | N216 | N216-L218 VanDerWaalsContact ND2-C 3.27Å; N216-L218 PolarHBondContact ND2-O 2.94Å; N216-L218 PolarHBondContact O-N 2.85Å; N216-L218 PolarHBondContact OD1-N 2.9Å |
| 219 | D | 94.6 | Very high | 96.4 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.027 | 26% | 0.258 | C | S | . | . | trans | -79.4 | 116.9 | 177.7 | -179.1 | 97.5 | 0 | 0 | 0 | 111.2 | R187 T214 N216 Q221 G222 H223 I225 | R187-D219 VanDerWaalsContact CZ-O 3.28Å; R187-D219 PolarHBondContact NH1-O 2.97Å; R187-D219 IonicContact NH1-OD2 2.7Å; R187-D219 PolarHBondContact NH1-OD2 2.8Å; R187-D219 PolarHBondContact NH2-O 3.12Å; T214-D219 HydrophobicContact CG2-CB 3.84Å; N216-D219 HydrophobicContact CB-CB 4.21Å; N216-D219 WeakPolarHBondContact ND2-CA 3.29Å; N216-D219 PolarHBondContact ND2-N 3.22Å; N216-D219 VanDerWaalsContact O-CB 3.32Å; N216-D219 WeakPolarHBondContact O-CB 3.31Å; N216-D219 PolarHBondContact O-N 3.21Å; D219-Q221 PolarHBondContact OD2-N 2.95Å; D219-G222 PolarHBondContact OD2-N 3.31Å; D219-H223 IonicContact OD1-CE1 2.93Å; D219-H223 IonicContact OD1-CG 3.88Å; D219-H223 IonicContact OD1-ND1 3.58Å; D219-H223 PolarHBondContact OD1-ND1 3.22Å; D219-H223 WeakPolarHBondContact OD2-CB 3.42Å; D219-H223 IonicContact OD2-CG 3.36Å; D219-H223 PolarHBondContact OD2-N 3.27Å; D219-H223 IonicContact OD2-ND1 3.98Å; D219-I225 HydrophobicContact CB-CG1 4.32Å | ||
| 220 | D | 93.5 | Very high | 96.5 | Very high | 137 Ų | 137 | 47.6 Ų | 47.6 | 73% | 0.733 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -86.9 | -15 | 179.6 | 63.2 | -21.9 | 0 | 0 | 0 | 113.5 | G222 | D220-G222 VanDerWaalsContact C-N 3.27Å; D220-G222 PolarHBondContact O-N 2.99Å |
| 221 | Q | 93.3 | Very high | 96.6 | Very high | 127 Ų | 127 | 45.2 Ų | 45.2 | 59% | 0.593 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -80.5 | 0.4 | -174.3 | -55.2 | -58.2 | -67.6 | 0 | 0 | 114.4 | D219 H223 | D219-Q221 PolarHBondContact OD2-N 2.95Å; Q221-H223 VanDerWaalsContact C-N 3.29Å; Q221-H223 WeakPolarHBondContact CB-CE1 3.5Å; Q221-H223 PolarHBondContact O-N 3.15Å |
| 222 | G | 92.2 | Very high | 96.6 | Very high | 40 Ų | 40 | 45.8 Ų | 45.8 | 41% | 0.412 | 24% | 0.238 | S | C | . | . | trans | 69.9 | 20.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D219 D220 | D219-G222 PolarHBondContact OD2-N 3.31Å; D220-G222 VanDerWaalsContact C-N 3.27Å; D220-G222 PolarHBondContact O-N 2.99Å | ||
| 223 | H | 96.9 | Very high | 96.6 | Very high | 22 Ų | 22 | 44 Ų | 44 | 10% | 0.102 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -67.8 | 151.9 | 171.5 | -54.2 | 134.9 | 0 | 0 | 0 | 110.2 | A130 R187 K212 T214 D219 Q221 I225 | A130-H223 PolarHBondContact O-CE1 3.33Å; R187-H223 WeakPolarHBondContact CD-O 3.38Å; R187-H223 PolarHBondContact NH1-O 3.29Å; K212-H223 HydrophobicContact CB-CB 4.41Å; K212-H223 WeakPolarHBondContact CD-CD2 3.42Å; K212-H223 WeakPolarHBondContact CD-NE2 3.23Å; K212-H223 PolarHBondContact NZ-NE2 2.97Å; T214-H223 HydrophobicContact CG2-CB 3.78Å; D219-H223 IonicContact OD1-CE1 2.93Å; D219-H223 IonicContact OD1-CG 3.88Å; D219-H223 IonicContact OD1-ND1 3.58Å; D219-H223 PolarHBondContact OD1-ND1 3.22Å; D219-H223 WeakPolarHBondContact OD2-CB 3.42Å; D219-H223 IonicContact OD2-CG 3.36Å; D219-H223 PolarHBondContact OD2-N 3.27Å; D219-H223 IonicContact OD2-ND1 3.98Å; Q221-H223 VanDerWaalsContact C-N 3.29Å; Q221-H223 WeakPolarHBondContact CB-CE1 3.5Å; Q221-H223 PolarHBondContact O-N 3.15Å; H223-I225 PolarHBondContact O-N 2.86Å |
| 224 | I | 97.4 | Very high | 96.6 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 117.3 | 175 | -58.1 | -173.6 | 0 | 0 | 0 | 108.5 | I157 L211 K212 L213 T214 L226 | I157-I224 HydrophobicContact CB-CG2 4.29Å; I157-I224 HydrophobicContact CD1-CD1 3.87Å; I157-I224 HydrophobicContact CD1-CG2 4.31Å; I157-I224 HydrophobicContact CG1-CD1 3.96Å; L211-I224 HydrophobicContact CD1-CD1 4.01Å; L211-I224 HydrophobicContact CD2-CD1 4.04Å; L211-I224 HydrophobicContact CD2-CG1 4.41Å; L211-I224 HydrophobicContact CG-CD1 4.2Å; K212-I224 PolarHBondContact O-N 2.85Å; K212-I224 VanDerWaalsContact O-N 3.07Å; L213-I224 CarbonylContact C-O 3.59Å; L213-I224 WeakPolarHBondContact CA-O 3.45Å; L213-I224 HydrophobicContact CD2-CB 4.22Å; T214-I224 PolarHBondContact N-O 3.26Å; I224-L226 HydrophobicContact CG2-CD2 4.02Å; I224-L226 HydrophobicContact CG2-CG 4.2Å |
| 225 | I | 97.6 | Very high | 96.6 | Very high | 6 Ų | 6 | 47.5 Ų | 47.5 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 132.1 | 177.2 | -54.8 | 167.1 | 0 | 0 | 0 | 108 | V184 R187 T214 N216 E217 D219 H223 | V184-I225 HydrophobicContact CB-CG2 4.2Å; V184-I225 HydrophobicContact CG1-CG2 3.91Å; R187-I225 VanDerWaalsContact CZ-CD1 3.45Å; T214-I225 HydrophobicContact CG2-CB 4.24Å; T214-I225 HydrophobicContact CG2-CG1 3.77Å; T214-I225 WeakPolarHBondContact O-CA 3.47Å; N216-I225 WeakPolarHBondContact O-CG1 3.4Å; E217-I225 WeakPolarHBondContact O-CD1 3.49Å; D219-I225 HydrophobicContact CB-CG1 4.32Å; H223-I225 PolarHBondContact O-N 2.86Å |
| 226 | L | 97.8 | Very high | 96.6 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | trans | -140.3 | 148.1 | 173 | -56.9 | 173.5 | 0 | 0 | 0 | 110 | I127 I157 L213 T214 I224 Y232 F269 T271 | I127-L226 WeakPolarHBondContact CD1-O 3.29Å; I157-L226 HydrophobicContact CB-CD2 4.29Å; I157-L226 HydrophobicContact CG2-CD1 4.16Å; I157-L226 HydrophobicContact CG2-CD2 3.82Å; L213-L226 HydrophobicContact CB-CD1 4.37Å; L213-L226 HydrophobicContact CD1-CD1 4.02Å; L213-L226 HydrophobicContact CD2-CD1 3.89Å; L213-L226 HydrophobicContact CG-CD1 4.31Å; T214-L226 PolarHBondContact O-N 2.8Å; I224-L226 HydrophobicContact CG2-CD2 4.02Å; I224-L226 HydrophobicContact CG2-CG 4.2Å; L226-Y232 HydrophobicContact CB-CE2 3.92Å; L226-Y232 HydrophobicContact CD1-CD2 4.31Å; L226-Y232 HydrophobicContact CD1-CE2 4.47Å; L226-Y232 HydrophobicContact CD2-CD1 3.69Å; L226-Y232 HydrophobicContact CD2-CD2 4.3Å; L226-Y232 HydrophobicContact CD2-CE1 3.54Å; L226-Y232 HydrophobicContact CD2-CE2 4.12Å; L226-Y232 HydrophobicContact CD2-CG 4.08Å; L226-Y232 HydrophobicContact CG-CE2 4.4Å; L226-F269 HydrophobicContact CD1-CE2 4.07Å; L226-F269 HydrophobicContact CD1-CZ 4.17Å; L226-T271 HydrophobicContact CB-CG2 3.86Å; L226-T271 HydrophobicContact CD1-CG2 3.65Å; L226-T271 HydrophobicContact CG-CG2 4.41Å | ||
| 227 | H | 97.9 | Very high | 96.7 | Very high | 24 Ų | 24 | 42.4 Ų | 42.4 | 11% | 0.111 | 22% | 0.217 | C | C | . | . | trans | -75.2 | 150.9 | 170.6 | -72.8 | -40.5 | 0 | 0 | 0 | 110.8 | S182 E217 H230 Y232 T271 | S182-H227 PolarHBondContact O-CD2 3.32Å; S182-H227 PolarHBondContact O-NE2 2.83Å; E217-H227 IonicContact OE1-CE1 3.48Å; E217-H227 PolarHBondContact OE1-CE1 3.07Å; H227-H230 WeakPolarHBondContact CB-ND1 3.45Å; H227-Y232 PolarHBondContact N-OH 2.88Å; H227-T271 VanDerWaalsContact O-CB 3.24Å; H227-T271 WeakPolarHBondContact O-CB 3.25Å; H227-T271 PolarHBondContact O-OG1 3.29Å | ||
| 228 | S | 98 | Very high | 96.8 | Very high | 30 Ų | 30 | 36.7 Ų | 36.7 | 21% | 0.21 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 151.4 | 173.1 | -166.8 | 0 | 0 | 0 | 0 | 110.8 | H230 T273 | S228-H230 VanDerWaalsContact C-N 3.33Å; S228-H230 PolarHBondContact O-CE1 3.31Å; S228-H230 PolarHBondContact O-N 2.86Å; S228-H230 PolarHBondContact O-ND1 3.39Å; S228-T273 PolarHBondContact OG-N 3.43Å |
| 229 | M | 98.1 | Very high | 96.9 | Very high | 30 Ų | 30 | 29.4 Ų | 29.4 | 15% | 0.148 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64 | 31.2 | 177.6 | -43.7 | -62.2 | -79.1 | 0 | 0 | 114.7 | Y165 W174 T271 V272 Q276 | Y165-M229 WeakPolarHBondContact CB-O 3.5Å; Y165-M229 PolarHBondContact N-O 3.46Å; Y165-M229 WeakPolarHBondContact O-CB 3.38Å; W174-M229 HydrophobicContact CH2-CE 3.97Å; W174-M229 HydrophobicContact CH2-SD 4.35Å; W174-M229 HydrophobicContact CZ3-CE 3.65Å; W174-M229 HydrophobicContact CZ3-SD 4.43Å; M229-T271 WeakPolarHBondContact CA-O 3.29Å; M229-T271 PolarHBondContact N-O 3.37Å; M229-T271 PolarHBondContact N-OG1 3.06Å; M229-V272 HydrophobicContact SD-CG1 4.06Å; M229-Q276 HydrophobicContact CE-CG 4.4Å |
| 230 | H | 98.4 | Very high | 96.9 | Very high | 7 Ų | 7 | 32.2 Ų | 32.2 | 3% | 0.032 | 16% | 0.162 | C | C | . | . | trans | -123.9 | 154.5 | 177.8 | -70.2 | 81.6 | 0 | 0 | 0 | 110.6 | K163 A180 D181 H227 S228 Y232 T270 T271 | K163-H230 PolarHBondContact O-CD2 3.44Å; A180-H230 VanDerWaalsContact CA-NE2 3.26Å; A180-H230 WeakPolarHBondContact CA-NE2 3.46Å; A180-H230 WeakPolarHBondContact CB-NE2 3.43Å; D181-H230 PolarHBondContact N-NE2 3.32Å; D181-H230 VanDerWaalsContact N-NE2 3.13Å; D181-H230 IonicContact OD2-CE1 3.97Å; D181-H230 PolarHBondContact OD2-CE1 3.27Å; D181-H230 VanDerWaalsContact OD2-CE1 3.29Å; H227-H230 WeakPolarHBondContact CB-ND1 3.45Å; S228-H230 VanDerWaalsContact C-N 3.33Å; S228-H230 PolarHBondContact O-CE1 3.31Å; S228-H230 PolarHBondContact O-N 2.86Å; S228-H230 PolarHBondContact O-ND1 3.39Å; H230-Y232 HydrophobicContact CB-CD2 4.35Å; H230-Y232 HydrophobicContact CB-CE2 3.57Å; H230-T270 WeakPolarHBondContact O-CA 3.34Å; H230-T271 PolarHBondContact N-OG1 3.32Å; H230-T271 PolarHBondContact O-N 3.22Å; H230-T271 PolarHBondContact O-OG1 3.37Å; H230-T271 VanDerWaalsContact O-OG1 3.07Å | ||
| 231 | K | 98.1 | Very high | 96.8 | Very high | 59 Ų | 59 | 30.3 Ų | 30.3 | 26% | 0.257 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 136.4 | 179.1 | -73.7 | -180 | -178.7 | 170.1 | 0 | 111.5 | P159 V160 Y165 F269 | P159-K231 WeakPolarHBondContact CA-O 3.31Å; V160-K231 HydrophobicContact CB-CB 3.93Å; V160-K231 HydrophobicContact CG2-CB 4.24Å; V160-K231 PolarHBondContact N-O 2.84Å; Y165-K231 HydrophobicContact CD2-CD 4.46Å; Y165-K231 HydrophobicContact CD2-CG 4.19Å; Y165-K231 HydrophobicContact CE1-CD 4.38Å; Y165-K231 HydrophobicContact CE2-CB 4.45Å; Y165-K231 HydrophobicContact CE2-CD 3.7Å; Y165-K231 HydrophobicContact CE2-CG 3.82Å; Y165-K231 VanDerWaalsContact CZ-NZ 3.32Å; Y165-K231 WeakPolarHBondContact OH-CE 3.4Å; Y165-K231 PolarHBondContact OH-NZ 3.09Å; K231-F269 WeakPolarHBondContact CA-O 3.36Å |
| 232 | Y | 98.5 | Very high | 96.6 | Very high | 13 Ų | 13 | 27.8 Ų | 27.8 | 5% | 0.051 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 146.7 | -177.2 | -66.6 | -83.9 | 0 | 0 | 0 | 112.8 | I157 V158 P159 L226 H227 H230 V268 F269 T271 | I157-Y232 HydrophobicContact CG2-CD1 4.02Å; I157-Y232 HydrophobicContact CG2-CG 4.01Å; V158-Y232 CarbonylContact O-C 3.58Å; V158-Y232 VanDerWaalsContact O-CA 3.29Å; V158-Y232 WeakPolarHBondContact O-CA 3.31Å; P159-Y232 HydrophobicContact CB-CD1 4.27Å; P159-Y232 HydrophobicContact CB-CE1 4.09Å; L226-Y232 HydrophobicContact CB-CE2 3.92Å; L226-Y232 HydrophobicContact CD1-CD2 4.31Å; L226-Y232 HydrophobicContact CD1-CE2 4.47Å; L226-Y232 HydrophobicContact CD2-CD1 3.69Å; L226-Y232 HydrophobicContact CD2-CD2 4.3Å; L226-Y232 HydrophobicContact CD2-CE1 3.54Å; L226-Y232 HydrophobicContact CD2-CE2 4.12Å; L226-Y232 HydrophobicContact CD2-CG 4.08Å; L226-Y232 HydrophobicContact CG-CE2 4.4Å; H227-Y232 PolarHBondContact N-OH 2.88Å; H230-Y232 HydrophobicContact CB-CD2 4.35Å; H230-Y232 HydrophobicContact CB-CE2 3.57Å; Y232-V268 WeakPolarHBondContact O-CA 3.31Å; Y232-F269 PolarHBondContact N-O 2.94Å; Y232-F269 PolarHBondContact O-N 3.07Å; Y232-T271 HydrophobicContact CD2-CG2 3.66Å; Y232-T271 HydrophobicContact CE2-CG2 3.71Å |
| 233 | Q | 98.3 | Very high | 96.2 | Very high | 30 Ų | 30 | 29.6 Ų | 29.6 | 14% | 0.14 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 114.4 | 174.2 | 172.1 | 67.5 | 73.4 | 0 | 0 | 108.2 | V158 V160 R235 F264 T267 V268 | V158-Q233 HydrophobicContact CG2-CB 4.27Å; V158-Q233 PolarHBondContact N-O 3.1Å; V158-Q233 PolarHBondContact O-N 2.88Å; V160-Q233 HydrophobicContact CG2-CB 3.9Å; Q233-R235 HydrophobicContact CG-CG 4.4Å; Q233-F264 PolarHBondContact NE2-O 3.1Å; Q233-T267 PolarHBondContact NE2-OG1 2.96Å; Q233-V268 HydrophobicContact CB-CG2 4.35Å |
| 234 | P | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 146 | 167 | -19.1 | 33.4 | 0 | 0 | 0 | 111 | M138 D156 I157 T267 F269 | M138-P234 HydrophobicContact CE-CB 3.58Å; M138-P234 HydrophobicContact CE-CG 3.83Å; M138-P234 HydrophobicContact SD-CB 4.13Å; D156-P234 WeakPolarHBondContact O-CA 3.09Å; I157-P234 HydrophobicContact CG1-CB 4.31Å; P234-T267 WeakPolarHBondContact CD-O 3.5Å; P234-F269 HydrophobicContact CG-CD1 4.15Å; P234-F269 HydrophobicContact CG-CE1 3.66Å |
| 235 | R | 98.1 | Very high | 94.7 | Very high | 76 Ų | 76 | 34.9 Ų | 34.9 | 29% | 0.287 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 135.4 | 175.6 | -51.9 | -170.1 | -62.7 | 174.7 | 3.6 | 109.8 | M155 D156 V158 Q233 H237 T261 F262 | M155-R235 VanDerWaalsContact CA-O 3.25Å; M155-R235 WeakPolarHBondContact CA-O 3.48Å; M155-R235 WeakPolarHBondContact CG-O 3.21Å; D156-R235 PolarHBondContact N-O 3.3Å; D156-R235 VanDerWaalsContact N-O 3.14Å; D156-R235 PolarHBondContact O-N 3.28Å; D156-R235 IonicContact OD1-CZ 3.44Å; D156-R235 IonicContact OD1-NE 3.01Å; D156-R235 PolarHBondContact OD1-NE 2.93Å; D156-R235 IonicContact OD1-NH2 3.69Å; D156-R235 PolarHBondContact OD1-NH2 3.13Å; D156-R235 IonicContact OD2-CZ 3.85Å; D156-R235 IonicContact OD2-NE 3.28Å; D156-R235 IonicContact OD2-NH2 3.15Å; D156-R235 PolarHBondContact OD2-NH2 3.38Å; V158-R235 HydrophobicContact CG2-CG 4.15Å; Q233-R235 HydrophobicContact CG-CG 4.4Å; R235-H237 PolarHBondContact O-CD2 3.16Å; R235-T261 HydrophobicContact CB-CG2 3.98Å; R235-F262 CarbonylContact C-O 3.6Å; R235-F262 WeakPolarHBondContact CA-O 3.33Å |
| 236 | V | 98.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 132.9 | 173.1 | 175.7 | 0 | 0 | 0 | 0 | 108.3 | M138 V140 I153 M155 F208 T261 F262 | M138-V236 HydrophobicContact SD-CG2 4.02Å; V140-V236 HydrophobicContact CG1-CG2 4.22Å; V140-V236 HydrophobicContact CG2-CG1 4.48Å; I153-V236 HydrophobicContact CG2-CG1 4.47Å; M155-V236 HydrophobicContact CE-CG2 3.59Å; F208-V236 HydrophobicContact CE2-CG2 4.13Å; F208-V236 HydrophobicContact CZ-CG1 4.35Å; F208-V236 HydrophobicContact CZ-CG2 4.41Å; V236-T261 CarbonylContact O-C 3.57Å; V236-T261 WeakPolarHBondContact O-CA 3.49Å; V236-F262 PolarHBondContact N-O 2.81Å; V236-F262 PolarHBondContact O-N 2.83Å |
| 237 | H | 97.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 130.3 | -179.1 | -49.9 | -92.7 | 0 | 0 | 0 | 109.9 | I153 A154 D156 R235 I239 V253 K260 T261 | I153-H237 WeakPolarHBondContact CA-O 3.47Å; A154-H237 HydrophobicContact CB-CB 4.49Å; A154-H237 PolarHBondContact N-O 3.47Å; A154-H237 PolarHBondContact O-N 3.03Å; D156-H237 VanDerWaalsContact CG-NE2 3.27Å; D156-H237 IonicContact OD1-CE1 2.7Å; D156-H237 IonicContact OD1-NE2 2.68Å; D156-H237 PolarHBondContact OD1-NE2 3.01Å; D156-H237 IonicContact OD2-CE1 3.34Å; D156-H237 IonicContact OD2-NE2 3.88Å; R235-H237 PolarHBondContact O-CD2 3.16Å; H237-I239 HydrophobicContact CB-CD1 4.24Å; H237-I239 HydrophobicContact CB-CG1 4.28Å; H237-V253 HydrophobicContact CB-CG1 4.03Å; H237-K260 WeakPolarHBondContact CA-O 3.38Å; H237-T261 VanDerWaalsContact CE1-CG2 3.45Å; H237-T261 WeakPolarHBondContact CE1-CG2 3.08Å; H237-T261 WeakPolarHBondContact ND1-CG2 3.31Å; H237-T261 PolarHBondContact ND1-OG1 2.94Å |
| 238 | I | 96.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 117.5 | 172.2 | -65.1 | 175.6 | 0 | 0 | 0 | 106.7 | I105 V107 I142 L145 Y151 I153 V259 K260 F262 | I105-I238 HydrophobicContact CD1-CG2 4.33Å; I105-I238 HydrophobicContact CG2-CD1 3.69Å; V107-I238 HydrophobicContact CG2-CD1 3.56Å; I142-I238 HydrophobicContact CD1-CD1 4.02Å; I142-I238 HydrophobicContact CG1-CD1 4.44Å; I142-I238 HydrophobicContact CG2-CD1 3.75Å; L145-I238 HydrophobicContact CD2-CD1 4.48Å; L145-I238 HydrophobicContact CD2-CG2 3.77Å; Y151-I238 HydrophobicContact CD1-CG2 3.69Å; Y151-I238 HydrophobicContact CE1-CG2 4.22Å; Y151-I238 HydrophobicContact CG-CG2 4.43Å; I153-I238 HydrophobicContact CG1-CG1 4.47Å; I238-V259 WeakPolarHBondContact O-CA 3.43Å; I238-K260 PolarHBondContact N-O 2.91Å; I238-K260 PolarHBondContact O-N 2.9Å; I238-F262 HydrophobicContact CD1-CE2 3.94Å; I238-F262 HydrophobicContact CG1-CE2 4.43Å |
| 239 | I | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 116.6 | -168.7 | -60.7 | 161.7 | 0 | 0 | 0 | 108 | Y151 Y152 A154 H237 L247 V253 G258 V259 | Y151-I239 CarbonylContact C-O 3.59Å; Y151-I239 VanDerWaalsContact CA-O 3.31Å; Y151-I239 WeakPolarHBondContact CA-O 3.31Å; Y152-I239 PolarHBondContact N-O 3.22Å; Y152-I239 PolarHBondContact O-N 3.24Å; A154-I239 HydrophobicContact CB-CD1 4.3Å; H237-I239 HydrophobicContact CB-CD1 4.24Å; H237-I239 HydrophobicContact CB-CG1 4.28Å; I239-L247 HydrophobicContact CD1-CD1 3.82Å; I239-L247 HydrophobicContact CD1-CD2 3.83Å; I239-L247 HydrophobicContact CD1-CG 4.39Å; I239-V253 HydrophobicContact CD1-CG1 3.78Å; I239-V253 HydrophobicContact CG1-CG1 4.41Å; I239-G258 WeakPolarHBondContact CA-O 3.33Å; I239-V259 HydrophobicContact CB-CG2 4.45Å; I239-V259 HydrophobicContact CG1-CB 4.46Å; I239-V259 HydrophobicContact CG1-CG1 3.86Å; I239-V259 HydrophobicContact CG1-CG2 4.04Å; I239-V259 HydrophobicContact CG2-CG2 4.15Å |
| 240 | R | 94.1 | Very high | 91.7 | Very high | 64 Ų | 64 | 47.9 Ų | 47.9 | 24% | 0.242 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 141.3 | 172.3 | -87.4 | 175.9 | 62.4 | 150.9 | -8.9 | 111 | M102 Q149 Y151 D242 F243 S244 G258 | M102-R240 HydrophobicContact CE-CG 4.31Å; M102-R240 WeakPolarHBondContact SD-CD 3.46Å; M102-R240 HydrophobicContact SD-CG 3.67Å; Q149-R240 HydrophobicContact CG-CG 4.5Å; Y151-R240 HydrophobicContact CD1-CG 3.83Å; Y151-R240 HydrophobicContact CE1-CG 3.48Å; Y151-R240 VanDerWaalsContact CE1-CG 3.48Å; R240-D242 VanDerWaalsContact C-N 3.27Å; R240-D242 WeakPolarHBondContact CB-OD1 3.25Å; R240-D242 IonicContact CZ-OD2 2.76Å; R240-D242 IonicContact NE-OD1 3.43Å; R240-D242 PolarHBondContact NE-OD1 3.1Å; R240-D242 IonicContact NE-OD2 3.56Å; R240-D242 PolarHBondContact NE-OD2 3.45Å; R240-D242 VanDerWaalsContact NE-OD2 3.15Å; R240-D242 IonicContact NH2-OD1 3.95Å; R240-D242 IonicContact NH2-OD2 3.31Å; R240-D242 PolarHBondContact NH2-OD2 3.04Å; R240-D242 PolarHBondContact O-N 3.34Å; R240-F243 HydrophobicContact CB-CD2 3.98Å; R240-F243 CarbonylContact O-C 3.59Å; R240-F243 PolarHBondContact O-N 3.49Å; R240-S244 PolarHBondContact O-N 3.03Å; R240-G258 PolarHBondContact N-O 3.14Å |
| 241 | K | 92.4 | Very high | 91.2 | Very high | 98 Ų | 98 | 53.1 Ų | 53.1 | 43% | 0.426 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -52.4 | -43.6 | 179.2 | -176.7 | -167.5 | -169.9 | 172.2 | 0 | 113 | Q150 L195 F243 S244 | Q150-K241 HydrophobicContact CB-CB 4.17Å; Q150-K241 HydrophobicContact CB-CD 4.21Å; Q150-K241 WeakPolarHBondContact O-CB 3.38Å; Q150-K241 PolarHBondContact O-N 2.71Å; L195-K241 HydrophobicContact CD1-CB 4.25Å; L195-K241 HydrophobicContact CD1-CG 4.48Å; L195-K241 HydrophobicContact CD2-CB 4.44Å; L195-K241 HydrophobicContact CD2-CD 3.81Å; L195-K241 HydrophobicContact CD2-CG 3.81Å; K241-F243 PolarHBondContact O-N 2.65Å; K241-F243 VanDerWaalsContact O-N 3.15Å; K241-S244 PolarHBondContact O-N 3Å; K241-S244 VanDerWaalsContact O-N 3.1Å; K241-S244 PolarHBondContact O-OG 3.04Å; K241-S244 VanDerWaalsContact O-OG 3.06Å |
| 242 | D | 88.3 | Confident | 90.6 | Very high | 73 Ų | 73 | 54.4 Ų | 54.4 | 39% | 0.39 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -63.2 | -15.2 | 180 | 40.4 | -47.9 | 0 | 0 | 0 | 113.6 | Q149 R240 | Q149-D242 PolarHBondContact NE2-OD1 3.25Å; R240-D242 VanDerWaalsContact C-N 3.27Å; R240-D242 WeakPolarHBondContact CB-OD1 3.25Å; R240-D242 IonicContact CZ-OD2 2.76Å; R240-D242 IonicContact NE-OD1 3.43Å; R240-D242 PolarHBondContact NE-OD1 3.1Å; R240-D242 IonicContact NE-OD2 3.56Å; R240-D242 PolarHBondContact NE-OD2 3.45Å; R240-D242 VanDerWaalsContact NE-OD2 3.15Å; R240-D242 IonicContact NH2-OD1 3.95Å; R240-D242 IonicContact NH2-OD2 3.31Å; R240-D242 PolarHBondContact NH2-OD2 3.04Å; R240-D242 PolarHBondContact O-N 3.34Å |
| 243 | F | 83.8 | Confident | 90.1 | Very high | 79 Ų | 79 | 54.4 Ų | 54.4 | 35% | 0.346 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -115.8 | 12.3 | 176.3 | -62.6 | -96.7 | 0 | 0 | 0 | 113.1 | R240 K241 S245 E257 G258 | R240-F243 HydrophobicContact CB-CD2 3.98Å; R240-F243 CarbonylContact O-C 3.59Å; R240-F243 PolarHBondContact O-N 3.49Å; K241-F243 PolarHBondContact O-N 2.65Å; K241-F243 VanDerWaalsContact O-N 3.15Å; F243-S245 VanDerWaalsContact C-N 3.35Å; F243-S245 PolarHBondContact O-N 3.25Å; F243-E257 HydrophobicContact CE1-CB 4.41Å; F243-E257 HydrophobicContact CZ-CB 4.49Å; F243-G258 VanDerWaalsContact CD2-CA 3.48Å |
| 244 | S | 82.4 | Confident | 89.4 | Confident | 22 Ų | 22 | 53.7 Ų | 53.7 | 15% | 0.154 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -85.9 | 2.4 | -176.7 | 80.7 | 0 | 0 | 0 | 0 | 114.8 | Y152 R240 K241 E246 L247 | Y152-S244 VanDerWaalsContact CE2-CB 3.45Å; Y152-S244 VanDerWaalsContact CE2-OG 3.23Å; Y152-S244 WeakPolarHBondContact CE2-OG 3.44Å; R240-S244 PolarHBondContact O-N 3.03Å; K241-S244 PolarHBondContact O-N 3Å; K241-S244 VanDerWaalsContact O-N 3.1Å; K241-S244 PolarHBondContact O-OG 3.04Å; K241-S244 VanDerWaalsContact O-OG 3.06Å; S244-E246 PolarHBondContact O-N 2.86Å; S244-E246 VanDerWaalsContact O-N 3.11Å; S244-L247 VanDerWaalsContact O-CB 3.31Å; S244-L247 WeakPolarHBondContact O-CB 3.4Å; S244-L247 PolarHBondContact O-N 3.26Å |
| 245 | S | 80.3 | Confident | 88.6 | Confident | 117 Ų | 117 | 59.6 Ų | 59.6 | 82% | 0.818 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -58.6 | -26.2 | -172.5 | -55.8 | 0 | 0 | 0 | 0 | 114.8 | F243 | F243-S245 VanDerWaalsContact C-N 3.35Å; F243-S245 PolarHBondContact O-N 3.25Å |
| 246 | E | 79.1 | Confident | 87.9 | Confident | 137 Ų | 137 | 58.2 Ų | 58.2 | 64% | 0.64 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -98.3 | -8.5 | 177.9 | -70.4 | -178 | -158.8 | 0 | 0 | 113.9 | S244 S248 P254 | S244-E246 PolarHBondContact O-N 2.86Å; S244-E246 VanDerWaalsContact O-N 3.11Å; E246-S248 PolarHBondContact O-N 3.46Å; E246-P254 HydrophobicContact CB-CB 4.24Å; E246-P254 HydrophobicContact CB-CG 3.64Å |
| 247 | L | 85.1 | Confident | 87.1 | Confident | 28 Ų | 28 | 66 Ų | 66 | 15% | 0.147 | 37% | 0.372 | C | S | . | . | trans | -66.9 | 117.8 | -174.6 | 179.5 | 59 | 0 | 0 | 0 | 111.2 | Y152 V188 I190 I239 S244 | Y152-L247 HydrophobicContact CD1-CD2 4.04Å; Y152-L247 HydrophobicContact CD2-CD2 4.39Å; Y152-L247 HydrophobicContact CG-CD2 3.85Å; V188-L247 HydrophobicContact CG1-CD1 4.34Å; I190-L247 HydrophobicContact CD1-CD1 4.28Å; I190-L247 HydrophobicContact CD1-CD2 4.1Å; I190-L247 HydrophobicContact CD1-CG 3.95Å; I239-L247 HydrophobicContact CD1-CD1 3.82Å; I239-L247 HydrophobicContact CD1-CD2 3.83Å; I239-L247 HydrophobicContact CD1-CG 4.39Å; S244-L247 VanDerWaalsContact O-CB 3.31Å; S244-L247 WeakPolarHBondContact O-CB 3.4Å; S244-L247 PolarHBondContact O-N 3.26Å | ||
| 248 | S | 86.9 | Confident | 86.6 | Confident | 48 Ų | 48 | 66 Ų | 66 | 34% | 0.336 | 37% | 0.372 | S | S | . | . | trans | -144.9 | 141.2 | 175.4 | -174.3 | 0 | 0 | 0 | 0 | 110.4 | E246 N250 K251 | E246-S248 PolarHBondContact O-N 3.46Å; S248-N250 PolarHBondContact O-N 2.99Å; S248-K251 PolarHBondContact O-N 3.4Å; S248-K251 VanDerWaalsContact O-N 3.1Å | ||
| 249 | A | 87.7 | Confident | 86.5 | Confident | 43 Ų | 43 | 67.1 Ų | 67.1 | 36% | 0.355 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -19.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R187 V188 | R187-A249 VanDerWaalsContact CA-O 3.31Å; R187-A249 WeakPolarHBondContact CA-O 3.48Å; V188-A249 PolarHBondContact N-O 2.96Å; V188-A249 WeakPolarHBondContact O-CA 3.47Å |
| 250 | N | 87.4 | Confident | 86.4 | Confident | 109 Ų | 109 | 69.5 Ų | 69.5 | 58% | 0.583 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | 18.3 | -179.2 | -62.1 | -34.6 | 0 | 0 | 0 | 113.3 | P186 S248 | P186-N250 CarbonylContact O-C 3.56Å; S248-N250 PolarHBondContact O-N 2.99Å |
| 251 | K | 87.6 | Confident | 86.5 | Confident | 118 Ų | 118 | 69.4 Ų | 69.4 | 51% | 0.513 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -127.2 | 162.1 | 174.9 | -71.3 | -172.3 | 177.6 | -176.1 | 0 | 109.8 | V188 S248 | V188-K251 WeakPolarHBondContact CG2-O 3.26Å; S248-K251 PolarHBondContact O-N 3.4Å; S248-K251 VanDerWaalsContact O-N 3.1Å |
| 252 | P | 86.9 | Confident | 86.8 | Confident | 86 Ų | 86 | 66.4 Ų | 66.4 | 56% | 0.558 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 153.7 | 162.7 | -22.8 | 33.5 | 0 | 0 | 0 | 111.7 | P186 | P186-P252 HydrophobicContact CB-CG 4.12Å; P186-P252 HydrophobicContact CG-CG 4.03Å |
| 253 | V | 87.6 | Confident | 87.2 | Confident | 12 Ų | 12 | 66.5 Ų | 66.5 | 7% | 0.073 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 135 | 169.9 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | D156 V188 H237 I239 V259 | D156-V253 HydrophobicContact CB-CG2 4.29Å; V188-V253 HydrophobicContact CB-CG2 4.37Å; V188-V253 HydrophobicContact CG1-CG2 3.88Å; V188-V253 HydrophobicContact CG2-CG2 3.5Å; H237-V253 HydrophobicContact CB-CG1 4.03Å; I239-V253 HydrophobicContact CD1-CG1 3.78Å; I239-V253 HydrophobicContact CG1-CG1 4.41Å; V253-V259 HydrophobicContact CG1-CG1 4.14Å |
| 254 | P | 84.5 | Confident | 87.9 | Confident | 16 Ų | 16 | 64.3 Ų | 64.3 | 10% | 0.104 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 152.1 | 175.9 | -24.5 | 35.3 | 0 | 0 | 0 | 112.2 | E246 V259 | E246-P254 HydrophobicContact CB-CB 4.24Å; E246-P254 HydrophobicContact CB-CG 3.64Å; P254-V259 HydrophobicContact CB-CG2 4.42Å; P254-V259 WeakPolarHBondContact O-CG1 3.4Å |
| 255 | S | 81.6 | Confident | 88.6 | Confident | 123 Ų | 123 | 67.2 Ų | 67.2 | 86% | 0.86 | 40% | 0.4 | S | S | * | . | trans | -123 | 122 | 178.3 | -64.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 256 | G | 82.3 | Confident | 89.5 | Confident | 48 Ų | 48 | 63.1 Ų | 63.1 | 50% | 0.495 | 37% | 0.368 | S | S | . | . | S | Bend | trans | 169.7 | 178.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G258 V259 | G256-G258 VanDerWaalsContact C-N 3.3Å; G256-G258 PolarHBondContact O-N 2.76Å; G256-V259 PolarHBondContact O-N 3.46Å |
| 257 | E | 81.3 | Confident | 90.4 | Very high | 165 Ų | 165 | 56.6 Ų | 56.6 | 77% | 0.771 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -42.3 | -173.2 | -169.4 | -177.4 | 160.8 | 0 | 0 | 113.8 | M102 F243 V259 | M102-E257 WeakPolarHBondContact CG-O 3.14Å; F243-E257 HydrophobicContact CE1-CB 4.41Å; F243-E257 HydrophobicContact CZ-CB 4.49Å; E257-V259 PolarHBondContact O-N 3.15Å |
| 258 | G | 87.4 | Confident | 91.1 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 9.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | M102 I239 R240 F243 G256 | M102-G258 WeakPolarHBondContact CE-O 3.35Å; I239-G258 WeakPolarHBondContact CA-O 3.33Å; R240-G258 PolarHBondContact N-O 3.14Å; F243-G258 VanDerWaalsContact CD2-CA 3.48Å; G256-G258 VanDerWaalsContact C-N 3.3Å; G256-G258 PolarHBondContact O-N 2.76Å |
| 259 | V | 93.3 | Very high | 91.6 | Very high | 22 Ų | 22 | 54.6 Ų | 54.6 | 13% | 0.133 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 116.2 | 178.9 | -175.7 | 0 | 0 | 0 | 0 | 111.5 | I238 I239 V253 P254 G256 E257 | I238-V259 WeakPolarHBondContact O-CA 3.43Å; I239-V259 HydrophobicContact CB-CG2 4.45Å; I239-V259 HydrophobicContact CG1-CB 4.46Å; I239-V259 HydrophobicContact CG1-CG1 3.86Å; I239-V259 HydrophobicContact CG1-CG2 4.04Å; I239-V259 HydrophobicContact CG2-CG2 4.15Å; V253-V259 HydrophobicContact CG1-CG1 4.14Å; P254-V259 HydrophobicContact CB-CG2 4.42Å; P254-V259 WeakPolarHBondContact O-CG1 3.4Å; G256-V259 PolarHBondContact O-N 3.46Å; E257-V259 PolarHBondContact O-N 3.15Å |
| 260 | K | 94.8 | Very high | 92.1 | Very high | 50 Ų | 50 | 52.9 Ų | 52.9 | 22% | 0.217 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 132.8 | 171.8 | -161.6 | 166.9 | 179.3 | -172.9 | 0 | 111 | M102 E103 I105 H237 I238 F262 | M102-K260 HydrophobicContact CE-CB 4.13Å; M102-K260 WeakPolarHBondContact O-CD 3.43Å; M102-K260 WeakPolarHBondContact O-CE 3.45Å; M102-K260 PolarHBondContact O-NZ 2.91Å; E103-K260 VanDerWaalsContact C-NZ 3.26Å; E103-K260 PolarHBondContact O-NZ 3.27Å; I105-K260 HydrophobicContact CB-CD 4.19Å; I105-K260 PolarHBondContact O-NZ 3.36Å; H237-K260 WeakPolarHBondContact CA-O 3.38Å; I238-K260 PolarHBondContact N-O 2.91Å; I238-K260 PolarHBondContact O-N 2.9Å; K260-F262 HydrophobicContact CB-CE2 3.91Å; K260-F262 HydrophobicContact CB-CZ 4.35Å; K260-F262 HydrophobicContact CD-CE1 4.4Å; K260-F262 HydrophobicContact CD-CE2 3.95Å; K260-F262 HydrophobicContact CD-CZ 3.52Å; K260-F262 HydrophobicContact CG-CD2 4.44Å; K260-F262 HydrophobicContact CG-CE1 4.48Å; K260-F262 HydrophobicContact CG-CE2 3.59Å; K260-F262 HydrophobicContact CG-CZ 3.63Å |
| 261 | T | 96.5 | Very high | 92.7 | Very high | 63 Ų | 63 | 47.7 Ų | 47.7 | 39% | 0.387 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 132.1 | -174.5 | -61.3 | 0 | 0 | 0 | 0 | 110.4 | R235 V236 H237 | R235-T261 HydrophobicContact CB-CG2 3.98Å; V236-T261 CarbonylContact O-C 3.57Å; V236-T261 WeakPolarHBondContact O-CA 3.49Å; H237-T261 VanDerWaalsContact CE1-CG2 3.45Å; H237-T261 WeakPolarHBondContact CE1-CG2 3.08Å; H237-T261 WeakPolarHBondContact ND1-CG2 3.31Å; H237-T261 PolarHBondContact ND1-OG1 2.94Å |
| 262 | F | 97.6 | Very high | 93.2 | Very high | 34 Ų | 34 | 42.1 Ų | 42.1 | 15% | 0.149 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 135.7 | -177.3 | -60 | -96 | 0 | 0 | 0 | 110.1 | I105 V107 R235 V236 I238 K260 | I105-F262 HydrophobicContact CB-CZ 4.42Å; I105-F262 HydrophobicContact CG2-CE2 4.36Å; I105-F262 HydrophobicContact CG2-CZ 4.01Å; I105-F262 WeakPolarHBondContact O-CZ 3.31Å; V107-F262 HydrophobicContact CB-CB 4.36Å; V107-F262 HydrophobicContact CB-CD1 3.79Å; V107-F262 HydrophobicContact CB-CD2 4.19Å; V107-F262 HydrophobicContact CB-CE1 4.05Å; V107-F262 HydrophobicContact CB-CE2 4.43Å; V107-F262 HydrophobicContact CB-CG 3.86Å; V107-F262 HydrophobicContact CB-CZ 4.35Å; V107-F262 HydrophobicContact CG2-CD1 3.85Å; V107-F262 HydrophobicContact CG2-CD2 3.55Å; V107-F262 HydrophobicContact CG2-CE1 3.75Å; V107-F262 HydrophobicContact CG2-CE2 3.45Å; V107-F262 VanDerWaalsContact CG2-CE2 3.45Å; V107-F262 HydrophobicContact CG2-CG 3.74Å; V107-F262 HydrophobicContact CG2-CZ 3.54Å; R235-F262 CarbonylContact C-O 3.6Å; R235-F262 WeakPolarHBondContact CA-O 3.33Å; V236-F262 PolarHBondContact N-O 2.81Å; V236-F262 PolarHBondContact O-N 2.83Å; I238-F262 HydrophobicContact CD1-CE2 3.94Å; I238-F262 HydrophobicContact CG1-CE2 4.43Å; K260-F262 HydrophobicContact CB-CE2 3.91Å; K260-F262 HydrophobicContact CB-CZ 4.35Å; K260-F262 HydrophobicContact CD-CE1 4.4Å; K260-F262 HydrophobicContact CD-CE2 3.95Å; K260-F262 HydrophobicContact CD-CZ 3.52Å; K260-F262 HydrophobicContact CG-CD2 4.44Å; K260-F262 HydrophobicContact CG-CE1 4.48Å; K260-F262 HydrophobicContact CG-CE2 3.59Å; K260-F262 HydrophobicContact CG-CZ 3.63Å |
| 263 | S | 97.6 | Very high | 93.7 | Very high | 75 Ų | 75 | 42.1 Ų | 42.1 | 52% | 0.524 | 26% | 0.256 | S | S | . | . | trans | -140.2 | 131.1 | 178.6 | 56.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 264 | F | 98.3 | Very high | 94.2 | Very high | 34 Ų | 34 | 44 Ų | 44 | 15% | 0.149 | 27% | 0.273 | C | S | . | . | trans | -106.4 | 123.8 | -177.2 | -57.4 | -77.6 | 0 | 0 | 0 | 109.6 | V107 L109 V140 Q233 E266 T267 | V107-F264 HydrophobicContact CB-CZ 4.45Å; V107-F264 HydrophobicContact CG1-CE2 4.42Å; V107-F264 HydrophobicContact CG1-CZ 4.03Å; V107-F264 WeakPolarHBondContact O-CZ 3.35Å; L109-F264 HydrophobicContact CB-CD1 3.79Å; L109-F264 HydrophobicContact CB-CD2 4.08Å; L109-F264 HydrophobicContact CB-CE1 3.84Å; L109-F264 HydrophobicContact CB-CE2 4.13Å; L109-F264 HydrophobicContact CB-CG 3.92Å; L109-F264 HydrophobicContact CB-CZ 4.02Å; L109-F264 HydrophobicContact CD1-CD2 4.14Å; L109-F264 HydrophobicContact CD1-CE2 4.49Å; L109-F264 HydrophobicContact CD2-CB 3.96Å; L109-F264 HydrophobicContact CD2-CD1 4.49Å; L109-F264 HydrophobicContact CD2-CG 4.08Å; L109-F264 HydrophobicContact CG-CD2 4.48Å; L109-F264 HydrophobicContact CG-CG 4.39Å; V140-F264 HydrophobicContact CG1-CE2 4.02Å; V140-F264 HydrophobicContact CG1-CZ 4.49Å; Q233-F264 PolarHBondContact NE2-O 3.1Å; F264-E266 VanDerWaalsContact C-N 3.32Å; F264-E266 PolarHBondContact O-N 3.4Å; F264-T267 HydrophobicContact CB-CG2 3.71Å; F264-T267 WeakPolarHBondContact O-CB 3.5Å; F264-T267 PolarHBondContact O-N 3Å; F264-T267 PolarHBondContact O-OG1 3.03Å | ||
| 265 | S | 97.9 | Very high | 94.9 | Very high | 83 Ų | 83 | 46.3 Ų | 46.3 | 58% | 0.58 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -67.3 | -31.8 | -172.2 | 53.9 | 0 | 0 | 0 | 0 | 112.6 | H119 T267 V268 | H119-S265 PolarHBondContact CE1-O 2.83Å; H119-S265 PolarHBondContact ND1-O 3.46Å; S265-T267 PolarHBondContact O-N 2.86Å; S265-T267 VanDerWaalsContact O-N 3.16Å; S265-V268 WeakPolarHBondContact O-CG2 3.33Å; S265-V268 PolarHBondContact O-N 3.07Å |
| 266 | E | 97.9 | Very high | 95.7 | Very high | 31 Ų | 31 | 42 Ų | 42 | 15% | 0.145 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -66.1 | -14.4 | 174.1 | 64.3 | -93.4 | -107.3 | 0 | 0 | 113.3 | L109 W115 K116 H119 F264 | L109-E266 HydrophobicContact CD2-CG 3.72Å; W115-E266 HydrophobicContact CB-CB 4.37Å; W115-E266 HydrophobicContact CB-CG 3.79Å; K116-E266 VanDerWaalsContact CE-OE1 3.23Å; K116-E266 WeakPolarHBondContact CE-OE1 3.27Å; K116-E266 HydrophobicContact CG-CB 4Å; K116-E266 HydrophobicContact CG-CG 4.15Å; H119-E266 HydrophobicContact CB-CB 4.18Å; H119-E266 WeakPolarHBondContact ND1-CA 3.34Å; F264-E266 VanDerWaalsContact C-N 3.32Å; F264-E266 PolarHBondContact O-N 3.4Å |
| 267 | T | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -90.5 | -3.2 | -179.5 | 70.8 | 0 | 0 | 0 | 0 | 114.3 | L109 W115 M138 Q233 P234 F264 S265 F269 | L109-T267 HydrophobicContact CD1-CG2 4.01Å; L109-T267 HydrophobicContact CD2-CG2 3.54Å; L109-T267 HydrophobicContact CG-CG2 4.45Å; W115-T267 HydrophobicContact CD2-CG2 3.83Å; W115-T267 HydrophobicContact CE3-CG2 3.9Å; W115-T267 HydrophobicContact CG-CG2 4.2Å; W115-T267 HydrophobicContact CZ3-CG2 4.26Å; M138-T267 VanDerWaalsContact CE-CB 3.43Å; M138-T267 HydrophobicContact CE-CG2 3.49Å; M138-T267 VanDerWaalsContact CE-CG2 3.49Å; Q233-T267 PolarHBondContact NE2-OG1 2.96Å; P234-T267 WeakPolarHBondContact CD-O 3.5Å; F264-T267 HydrophobicContact CB-CG2 3.71Å; F264-T267 WeakPolarHBondContact O-CB 3.5Å; F264-T267 PolarHBondContact O-N 3Å; F264-T267 PolarHBondContact O-OG1 3.03Å; S265-T267 PolarHBondContact O-N 2.86Å; S265-T267 VanDerWaalsContact O-N 3.16Å; T267-F269 WeakPolarHBondContact O-CD1 3.19Å; T267-F269 PolarHBondContact O-N 3.11Å |
| 268 | V | 98.6 | Very high | 97.2 | Very high | 32 Ų | 32 | 37.3 Ų | 37.3 | 19% | 0.194 | 21% | 0.212 | C | C | . | . | trans | -56.7 | 134.4 | 170.2 | 172.7 | 0 | 0 | 0 | 0 | 110.3 | T123 V160 Y232 Q233 S265 | T123-V268 WeakPolarHBondContact CB-O 3.48Å; T123-V268 PolarHBondContact OG1-O 3.46Å; V160-V268 HydrophobicContact CG2-CG1 4.05Å; V160-V268 HydrophobicContact CG2-CG2 4.34Å; Y232-V268 WeakPolarHBondContact O-CA 3.31Å; Q233-V268 HydrophobicContact CB-CG2 4.35Å; S265-V268 WeakPolarHBondContact O-CG2 3.33Å; S265-V268 PolarHBondContact O-N 3.07Å | ||
| 269 | F | 98.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.009 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 159.4 | 176.6 | 63.5 | -107.6 | 0 | 0 | 0 | 113.5 | T123 M125 M134 I157 L213 L226 K231 Y232 P234 T267 T271 | T123-F269 HydrophobicContact CG2-CB 3.64Å; T123-F269 CarbonylContact O-C 3.48Å; T123-F269 VanDerWaalsContact O-CA 3.25Å; T123-F269 WeakPolarHBondContact O-CA 3.38Å; T123-F269 WeakPolarHBondContact O-CB 3.43Å; M125-F269 HydrophobicContact CB-CD2 3.68Å; M125-F269 HydrophobicContact CB-CE2 3.83Å; M125-F269 HydrophobicContact CB-CG 4.11Å; M125-F269 HydrophobicContact CB-CZ 4.36Å; M125-F269 HydrophobicContact CE-CD1 4.11Å; M125-F269 HydrophobicContact CG-CB 3.86Å; M125-F269 HydrophobicContact CG-CD1 3.62Å; M125-F269 HydrophobicContact CG-CD2 3.51Å; M125-F269 HydrophobicContact CG-CE1 3.92Å; M125-F269 HydrophobicContact CG-CE2 3.85Å; M125-F269 HydrophobicContact CG-CG 3.4Å; M125-F269 HydrophobicContact CG-CZ 4.04Å; M134-F269 HydrophobicContact SD-CE1 3.87Å; M134-F269 HydrophobicContact SD-CZ 4.27Å; I157-F269 HydrophobicContact CD1-CZ 4.28Å; I157-F269 HydrophobicContact CG2-CZ 4.24Å; L213-F269 HydrophobicContact CD1-CE2 4.06Å; L213-F269 HydrophobicContact CD1-CZ 3.75Å; L226-F269 HydrophobicContact CD1-CE2 4.07Å; L226-F269 HydrophobicContact CD1-CZ 4.17Å; K231-F269 WeakPolarHBondContact CA-O 3.36Å; Y232-F269 PolarHBondContact N-O 2.94Å; Y232-F269 PolarHBondContact O-N 3.07Å; P234-F269 HydrophobicContact CG-CD1 4.15Å; P234-F269 HydrophobicContact CG-CE1 3.66Å; T267-F269 WeakPolarHBondContact O-CD1 3.19Å; T267-F269 PolarHBondContact O-N 3.11Å; F269-T271 HydrophobicContact CD2-CG2 4.32Å; F269-T271 HydrophobicContact CE2-CG2 3.82Å |
| 270 | T | 98.6 | Very high | 97.9 | Very high | 7 Ų | 7 | 41.2 Ų | 41.2 | 4% | 0.043 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 131.3 | 166.3 | -48.6 | 0 | 0 | 0 | 0 | 109.4 | T123 E124 M125 W174 H230 | T123-T270 PolarHBondContact O-N 3.17Å; E124-T270 CarbonylContact C-O 3.52Å; E124-T270 VanDerWaalsContact CA-O 3.31Å; E124-T270 WeakPolarHBondContact CA-O 3.38Å; M125-T270 PolarHBondContact N-O 3.18Å; W174-T270 HydrophobicContact CE3-CG2 4.41Å; W174-T270 HydrophobicContact CH2-CG2 3.67Å; W174-T270 HydrophobicContact CZ2-CG2 4Å; W174-T270 HydrophobicContact CZ3-CG2 3.89Å; H230-T270 WeakPolarHBondContact O-CA 3.34Å |
| 271 | T | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 141.4 | 172.2 | 43.7 | 0 | 0 | 0 | 0 | 111.5 | I127 L226 H227 M229 H230 Y232 F269 | I127-T271 HydrophobicContact CG2-CG2 3.88Å; L226-T271 HydrophobicContact CB-CG2 3.86Å; L226-T271 HydrophobicContact CD1-CG2 3.65Å; L226-T271 HydrophobicContact CG-CG2 4.41Å; H227-T271 VanDerWaalsContact O-CB 3.24Å; H227-T271 WeakPolarHBondContact O-CB 3.25Å; H227-T271 PolarHBondContact O-OG1 3.29Å; M229-T271 WeakPolarHBondContact CA-O 3.29Å; M229-T271 PolarHBondContact N-O 3.37Å; M229-T271 PolarHBondContact N-OG1 3.06Å; H230-T271 PolarHBondContact N-OG1 3.32Å; H230-T271 PolarHBondContact O-N 3.22Å; H230-T271 PolarHBondContact O-OG1 3.37Å; H230-T271 VanDerWaalsContact O-OG1 3.07Å; Y232-T271 HydrophobicContact CD2-CG2 3.66Å; Y232-T271 HydrophobicContact CE2-CG2 3.71Å; F269-T271 HydrophobicContact CD2-CG2 4.32Å; F269-T271 HydrophobicContact CE2-CG2 3.82Å |
| 272 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 152.5 | 175.5 | -61.2 | 0 | 0 | 0 | 0 | 110.7 | E124 M125 I126 I127 W174 M229 A274 Y275 Q276 | E124-V272 HydrophobicContact CB-CG2 4.1Å; E124-V272 HydrophobicContact CG-CG1 4.48Å; M125-V272 PolarHBondContact O-N 2.95Å; I126-V272 CarbonylContact C-O 3.56Å; I126-V272 VanDerWaalsContact CA-O 3.28Å; I126-V272 WeakPolarHBondContact CA-O 3.42Å; I126-V272 HydrophobicContact CD1-CG2 4Å; I127-V272 PolarHBondContact N-O 3.04Å; W174-V272 HydrophobicContact CH2-CG1 3.8Å; W174-V272 HydrophobicContact CZ2-CG1 4.25Å; M229-V272 HydrophobicContact SD-CG1 4.06Å; V272-A274 WeakPolarHBondContact CB-O 3.18Å; V272-A274 WeakPolarHBondContact CG2-O 3.28Å; V272-Y275 HydrophobicContact CG2-CD1 4.33Å; V272-Q276 HydrophobicContact CG1-CG 4Å |
| 273 | T | 98.3 | Very high | 98 | Very high | 86 Ų | 86 | 44.4 Ų | 44.4 | 53% | 0.528 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -82.5 | -25.5 | 170 | 47.5 | 0 | 0 | 0 | 0 | 112.3 | I127 S228 | I127-T273 HydrophobicContact CG1-CG2 4.42Å; S228-T273 PolarHBondContact OG-N 3.43Å |
| 274 | A | 98.1 | Very high | 98 | Very high | 53 Ų | 53 | 41.1 Ų | 41.1 | 44% | 0.438 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -147.1 | 146.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | V272 Q276 | V272-A274 WeakPolarHBondContact CB-O 3.18Å; V272-A274 WeakPolarHBondContact CG2-O 3.28Å; A274-Q276 PolarHBondContact O-N 2.79Å; A274-Q276 PolarHBondContact O-NE2 3.47Å |
| 275 | Y | 98.5 | Very high | 97.9 | Very high | 64 Ų | 64 | 41.4 Ų | 41.4 | 25% | 0.251 | 22% | 0.215 | S | C | . | . | trans | -60.1 | 135.9 | -176.9 | -65.2 | -59.3 | 0 | 0 | 0 | 112.4 | E124 I126 V272 I280 T281 K284 | E124-Y275 HydrophobicContact CB-CD1 3.96Å; E124-Y275 HydrophobicContact CB-CE1 4.27Å; E124-Y275 WeakPolarHBondContact OE2-CA 3.41Å; E124-Y275 WeakPolarHBondContact OE2-CD1 3.45Å; I126-Y275 HydrophobicContact CD1-CD1 3.93Å; I126-Y275 HydrophobicContact CD1-CD2 4.08Å; I126-Y275 HydrophobicContact CD1-CE1 3.9Å; I126-Y275 HydrophobicContact CD1-CE2 4.05Å; I126-Y275 HydrophobicContact CD1-CG 4.01Å; I126-Y275 HydrophobicContact CG1-CD1 4.16Å; I126-Y275 HydrophobicContact CG1-CD2 4.4Å; I126-Y275 HydrophobicContact CG1-CE1 3.59Å; I126-Y275 HydrophobicContact CG1-CE2 3.87Å; I126-Y275 VanDerWaalsContact CG1-CZ 3.42Å; V272-Y275 HydrophobicContact CG2-CD1 4.33Å; Y275-I280 HydrophobicContact CD1-CG2 4.14Å; Y275-I280 HydrophobicContact CE1-CG2 4.23Å; Y275-T281 VanDerWaalsContact CB-OG1 3.31Å; Y275-T281 WeakPolarHBondContact CB-OG1 3.48Å; Y275-T281 HydrophobicContact CD2-CG2 4.41Å; Y275-K284 HydrophobicContact CE1-CD 4.29Å; Y275-K284 HydrophobicContact CE1-CG 4.05Å; Y275-K284 HydrophobicContact CE2-CG 4.23Å; Y275-K284 WeakPolarHBondContact OH-CD 3.46Å | ||
| 276 | Q | 98.4 | Very high | 97.9 | Very high | 32 Ų | 32 | 41.3 Ų | 41.3 | 15% | 0.15 | 21% | 0.208 | C | C | . | . | trans | -97.2 | -54.6 | 179.8 | -52.3 | -65.5 | -72.9 | 0 | 0 | 110.5 | E124 Y167 Y169 W174 M229 V272 A274 Q278 | E124-Q276 PolarHBondContact OE2-N 2.82Å; Y167-Q276 HydrophobicContact CD1-CB 3.76Å; Y167-Q276 HydrophobicContact CD2-CB 4.28Å; Y167-Q276 HydrophobicContact CE1-CB 4.48Å; Y167-Q276 HydrophobicContact CG-CB 3.62Å; Y167-Q276 HydrophobicContact CG-CG 4.5Å; Y169-Q276 WeakPolarHBondContact CE1-O 3.36Å; Y169-Q276 PolarHBondContact OH-OE1 3.14Å; W174-Q276 HydrophobicContact CH2-CB 4.36Å; W174-Q276 HydrophobicContact CH2-CG 3.84Å; W174-Q276 HydrophobicContact CZ2-CB 4.23Å; W174-Q276 HydrophobicContact CZ2-CG 4.16Å; M229-Q276 HydrophobicContact CE-CG 4.4Å; V272-Q276 HydrophobicContact CG1-CG 4Å; A274-Q276 PolarHBondContact O-N 2.79Å; A274-Q276 PolarHBondContact O-NE2 3.47Å; Q276-Q278 PolarHBondContact O-N 2.89Å | ||
| 277 | N | 97.6 | Very high | 97.8 | Very high | 9 Ų | 9 | 44.7 Ų | 44.7 | 5% | 0.048 | 22% | 0.219 | C | C | . | . | trans | -79.4 | 116 | 177 | -172.6 | -7.5 | 0 | 0 | 0 | 111.4 | I121 E124 Y167 Q279 I280 T281 | I121-N277 VanDerWaalsContact CG2-ND2 3.31Å; I121-N277 WeakPolarHBondContact CG2-ND2 3.23Å; I121-N277 PolarHBondContact O-ND2 2.82Å; E124-N277 WeakPolarHBondContact OE1-CB 3.37Å; E124-N277 PolarHBondContact OE1-N 2.96Å; Y167-N277 HydrophobicContact CE2-CB 4.02Å; N277-Q279 PolarHBondContact ND2-OE1 2.69Å; N277-Q279 PolarHBondContact O-N 3.02Å; N277-Q279 WeakPolarHBondContact OD1-CB 3.39Å; N277-Q279 PolarHBondContact OD1-N 2.86Å; N277-I280 HydrophobicContact CB-CB 4.46Å; N277-I280 HydrophobicContact CB-CG1 4Å; N277-I280 WeakPolarHBondContact O-CB 3.06Å; N277-I280 PolarHBondContact O-N 2.95Å; N277-T281 PolarHBondContact O-N 2.91Å; N277-T281 VanDerWaalsContact O-N 3.15Å; N277-T281 PolarHBondContact O-OG1 2.88Å | ||
| 278 | Q | 96.6 | Very high | 97.7 | Very high | 105 Ų | 105 | 45.7 Ų | 45.7 | 49% | 0.491 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.5 | -22.4 | 178.2 | -63.1 | -58.1 | -46.4 | 0 | 0 | 113.9 | Q276 T281 R282 | Q276-Q278 PolarHBondContact O-N 2.89Å; Q278-T281 PolarHBondContact O-N 2.87Å; Q278-R282 WeakPolarHBondContact O-CG 3.32Å; Q278-R282 PolarHBondContact O-N 2.96Å |
| 279 | Q | 97.7 | Very high | 97.5 | Very high | 105 Ų | 105 | 48.4 Ų | 48.4 | 49% | 0.491 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.7 | -40 | 171.3 | -64.1 | 172.8 | -41.1 | 0 | 0 | 111.1 | I121 N277 R282 L283 | I121-Q279 HydrophobicContact CD1-CB 4.49Å; I121-Q279 HydrophobicContact CG2-CB 3.59Å; N277-Q279 PolarHBondContact ND2-OE1 2.69Å; N277-Q279 PolarHBondContact O-N 3.02Å; N277-Q279 WeakPolarHBondContact OD1-CB 3.39Å; N277-Q279 PolarHBondContact OD1-N 2.86Å; Q279-R282 PolarHBondContact O-N 3.33Å; Q279-L283 PolarHBondContact O-N 2.78Å |
| 280 | I | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.5 | -49.2 | 171.6 | -60.7 | -68.5 | 0 | 0 | 0 | 109.3 | F118 I121 G122 E124 Y275 N277 R282 L283 K284 | F118-I280 HydrophobicContact CD1-CD1 3.96Å; F118-I280 HydrophobicContact CD1-CG2 4.39Å; F118-I280 HydrophobicContact CE1-CG2 4.29Å; I121-I280 HydrophobicContact CB-CD1 3.67Å; I121-I280 HydrophobicContact CB-CG1 4.48Å; I121-I280 HydrophobicContact CG2-CD1 3.47Å; I121-I280 VanDerWaalsContact CG2-CD1 3.47Å; I121-I280 HydrophobicContact CG2-CG1 3.74Å; G122-I280 VanDerWaalsContact O-CD1 3.29Å; G122-I280 WeakPolarHBondContact O-CD1 3.31Å; E124-I280 HydrophobicContact CB-CG2 4.08Å; E124-I280 HydrophobicContact CG-CG1 4.29Å; E124-I280 HydrophobicContact CG-CG2 4.46Å; Y275-I280 HydrophobicContact CD1-CG2 4.14Å; Y275-I280 HydrophobicContact CE1-CG2 4.23Å; N277-I280 HydrophobicContact CB-CB 4.46Å; N277-I280 HydrophobicContact CB-CG1 4Å; N277-I280 WeakPolarHBondContact O-CB 3.06Å; N277-I280 PolarHBondContact O-N 2.95Å; I280-R282 VanDerWaalsContact C-N 3.3Å; I280-R282 PolarHBondContact O-N 3.1Å; I280-L283 PolarHBondContact O-N 3.1Å; I280-L283 VanDerWaalsContact O-N 3.13Å; I280-K284 HydrophobicContact CG2-CD 4.31Å; I280-K284 HydrophobicContact CG2-CG 3.84Å; I280-K284 WeakPolarHBondContact O-CG 3.32Å; I280-K284 PolarHBondContact O-N 3.32Å |
| 281 | T | 97.2 | Very high | 97 | Very high | 29 Ų | 29 | 57.9 Ų | 57.9 | 18% | 0.178 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -51.5 | -47.3 | 178.3 | -52.6 | 0 | 0 | 0 | 0 | 112.3 | Y275 N277 Q278 K284 I285 | Y275-T281 VanDerWaalsContact CB-OG1 3.31Å; Y275-T281 WeakPolarHBondContact CB-OG1 3.48Å; Y275-T281 HydrophobicContact CD2-CG2 4.41Å; N277-T281 PolarHBondContact O-N 2.91Å; N277-T281 VanDerWaalsContact O-N 3.15Å; N277-T281 PolarHBondContact O-OG1 2.88Å; Q278-T281 PolarHBondContact O-N 2.87Å; T281-K284 PolarHBondContact O-N 2.94Å; T281-I285 HydrophobicContact CG2-CD1 4.06Å; T281-I285 VanDerWaalsContact O-CG1 3.31Å; T281-I285 WeakPolarHBondContact O-CG1 3.35Å; T281-I285 PolarHBondContact O-N 3.24Å |
| 282 | R | 96.8 | Very high | 96.6 | Very high | 166 Ų | 166 | 64.7 Ų | 64.7 | 63% | 0.626 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -61.5 | -52.2 | 175.9 | -69 | 169.8 | -171.7 | 170 | 2.4 | 111.7 | Q278 Q279 I280 K284 I285 D286 | Q278-R282 WeakPolarHBondContact O-CG 3.32Å; Q278-R282 PolarHBondContact O-N 2.96Å; Q279-R282 PolarHBondContact O-N 3.33Å; I280-R282 VanDerWaalsContact C-N 3.3Å; I280-R282 PolarHBondContact O-N 3.1Å; R282-K284 VanDerWaalsContact C-N 3.28Å; R282-K284 PolarHBondContact O-N 3.05Å; R282-I285 WeakPolarHBondContact O-CA 3.5Å; R282-I285 WeakPolarHBondContact O-CB 3.31Å; R282-I285 PolarHBondContact O-N 3.24Å; R282-D286 VanDerWaalsContact O-CG 3.23Å; R282-D286 PolarHBondContact O-N 2.74Å |
| 283 | L | 97.6 | Very high | 96.3 | Very high | 20 Ų | 20 | 68 Ų | 68 | 11% | 0.105 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.9 | -32.4 | -180 | -171.4 | 64.5 | 0 | 0 | 0 | 112.7 | R117 F118 I121 Q279 I280 R287 | R117-L283 HydrophobicContact CB-CD2 4.16Å; R117-L283 WeakPolarHBondContact O-CD2 3.39Å; F118-L283 HydrophobicContact CD1-CD2 3.65Å; F118-L283 HydrophobicContact CD1-CG 4.21Å; F118-L283 HydrophobicContact CD2-CD2 4.19Å; F118-L283 HydrophobicContact CE1-CB 3.81Å; F118-L283 HydrophobicContact CE1-CD2 3.63Å; F118-L283 HydrophobicContact CE1-CG 3.64Å; F118-L283 HydrophobicContact CE2-CD2 4.17Å; F118-L283 HydrophobicContact CE2-CG 4.16Å; F118-L283 HydrophobicContact CG-CD2 3.92Å; F118-L283 HydrophobicContact CZ-CB 4.11Å; F118-L283 HydrophobicContact CZ-CD2 3.9Å; F118-L283 HydrophobicContact CZ-CG 3.61Å; I121-L283 HydrophobicContact CD1-CD2 3.92Å; Q279-L283 PolarHBondContact O-N 2.78Å; I280-L283 PolarHBondContact O-N 3.1Å; I280-L283 VanDerWaalsContact O-N 3.13Å; L283-R287 HydrophobicContact CD1-CG 3.71Å; L283-R287 HydrophobicContact CG-CG 4.3Å; L283-R287 VanDerWaalsContact O-CB 3.3Å; L283-R287 WeakPolarHBondContact O-CB 3.24Å; L283-R287 VanDerWaalsContact O-CG 3.26Å; L283-R287 WeakPolarHBondContact O-CG 3.36Å; L283-R287 PolarHBondContact O-N 3.03Å; L283-R287 VanDerWaalsContact O-N 3.16Å |
| 284 | K | 97.7 | Very high | 95.9 | Very high | 6 Ų | 6 | 71.3 Ų | 71.3 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.9 | -45.6 | 170.3 | -62 | -73.7 | -169 | -151.2 | 0 | 110.5 | F118 E124 F135 Y275 I280 T281 R282 N288 | F118-K284 HydrophobicContact CD1-CD 4.49Å; F118-K284 HydrophobicContact CE1-CD 3.56Å; F118-K284 HydrophobicContact CE1-CG 3.87Å; F118-K284 HydrophobicContact CZ-CD 3.71Å; F118-K284 HydrophobicContact CZ-CG 4.21Å; E124-K284 WeakPolarHBondContact O-CE 3.38Å; E124-K284 PolarHBondContact O-NZ 3.08Å; F135-K284 HydrophobicContact CD1-CD 3.85Å; F135-K284 PolarHBondContact O-NZ 3.31Å; Y275-K284 HydrophobicContact CE1-CD 4.29Å; Y275-K284 HydrophobicContact CE1-CG 4.05Å; Y275-K284 HydrophobicContact CE2-CG 4.23Å; Y275-K284 WeakPolarHBondContact OH-CD 3.46Å; I280-K284 HydrophobicContact CG2-CD 4.31Å; I280-K284 HydrophobicContact CG2-CG 3.84Å; I280-K284 WeakPolarHBondContact O-CG 3.32Å; I280-K284 PolarHBondContact O-N 3.32Å; T281-K284 PolarHBondContact O-N 2.94Å; R282-K284 VanDerWaalsContact C-N 3.28Å; R282-K284 PolarHBondContact O-N 3.05Å; K284-N288 WeakPolarHBondContact O-CB 3.4Å; K284-N288 PolarHBondContact O-N 3.32Å |
| 285 | I | 96.8 | Very high | 95.5 | Very high | 40 Ų | 40 | 72.8 Ų | 72.8 | 21% | 0.205 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.1 | -52.1 | 177.2 | -73.3 | 165.7 | 0 | 0 | 0 | 110.8 | T281 R282 R287 F294 R295 | T281-I285 HydrophobicContact CG2-CD1 4.06Å; T281-I285 VanDerWaalsContact O-CG1 3.31Å; T281-I285 WeakPolarHBondContact O-CG1 3.35Å; T281-I285 PolarHBondContact O-N 3.24Å; R282-I285 WeakPolarHBondContact O-CA 3.5Å; R282-I285 WeakPolarHBondContact O-CB 3.31Å; R282-I285 PolarHBondContact O-N 3.24Å; I285-R287 VanDerWaalsContact C-N 3.3Å; I285-R287 PolarHBondContact O-N 3.21Å; I285-F294 HydrophobicContact CD1-CB 4.01Å; I285-F294 HydrophobicContact CG1-CB 3.95Å; I285-F294 HydrophobicContact CG2-CB 3.85Å; I285-F294 WeakPolarHBondContact CG2-O 3.32Å; I285-R295 HydrophobicContact CG2-CB 4.36Å; I285-R295 HydrophobicContact CG2-CG 3.65Å; I285-R295 WeakPolarHBondContact O-CG 3.24Å; I285-R295 PolarHBondContact O-NE 3.29Å |
| 286 | D | 96.1 | Very high | 94.2 | Very high | 81 Ų | 81 | 76.9 Ų | 76.9 | 43% | 0.433 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.2 | -31.3 | -175.3 | -63.2 | -24.8 | 0 | 0 | 0 | 113.6 | R282 R295 | R282-D286 VanDerWaalsContact O-CG 3.23Å; R282-D286 PolarHBondContact O-N 2.74Å; D286-R295 PolarHBondContact O-NE 3.4Å; D286-R295 PolarHBondContact O-NH1 2.95Å; D286-R295 VanDerWaalsContact O-NH1 3.14Å; D286-R295 PolarHBondContact O-NH2 3.26Å; D286-R295 VanDerWaalsContact O-NH2 3.14Å |
| 287 | R | 96.6 | Very high | 92.1 | Very high | 101 Ų | 101 | 79.9 Ų | 79.9 | 38% | 0.381 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -108.4 | -30 | -171.3 | -53.7 | -58.1 | 176.8 | 94.1 | -4.4 | 113.9 | L114 F135 L283 I285 P289 | L114-R287 HydrophobicContact CD1-CB 3.98Å; L114-R287 HydrophobicContact CD1-CG 3.82Å; F135-R287 HydrophobicContact CE1-CB 4.02Å; F135-R287 VanDerWaalsContact CZ-C 3.45Å; F135-R287 HydrophobicContact CZ-CB 3.98Å; L283-R287 HydrophobicContact CD1-CG 3.71Å; L283-R287 HydrophobicContact CG-CG 4.3Å; L283-R287 VanDerWaalsContact O-CB 3.3Å; L283-R287 WeakPolarHBondContact O-CB 3.24Å; L283-R287 VanDerWaalsContact O-CG 3.26Å; L283-R287 WeakPolarHBondContact O-CG 3.36Å; L283-R287 PolarHBondContact O-N 3.03Å; L283-R287 VanDerWaalsContact O-N 3.16Å; I285-R287 VanDerWaalsContact C-N 3.3Å; I285-R287 PolarHBondContact O-N 3.21Å; R287-P289 WeakPolarHBondContact O-CD 3.47Å |
| 288 | N | 96 | Very high | 90.1 | Very high | 22 Ų | 22 | 81.2 Ų | 81.2 | 12% | 0.118 | 42% | 0.418 | C | S | . | . | trans | -77 | 120 | 178.7 | -171.9 | -20.2 | 0 | 0 | 0 | 110.8 | F135 K284 F290 A291 R295 | F135-N288 HydrophobicContact CD1-CB 3.89Å; F135-N288 HydrophobicContact CD2-CB 3.9Å; F135-N288 HydrophobicContact CE1-CB 3.81Å; F135-N288 HydrophobicContact CE2-CB 3.83Å; F135-N288 HydrophobicContact CG-CB 3.95Å; F135-N288 VanDerWaalsContact CZ-CA 3.43Å; F135-N288 HydrophobicContact CZ-CB 3.79Å; K284-N288 WeakPolarHBondContact O-CB 3.4Å; K284-N288 PolarHBondContact O-N 3.32Å; N288-F290 PolarHBondContact O-N 3.08Å; N288-F290 WeakPolarHBondContact OD1-CB 3.47Å; N288-F290 WeakPolarHBondContact OD1-CD2 3.44Å; N288-F290 PolarHBondContact OD1-N 3.33Å; N288-A291 HydrophobicContact CB-CB 4.02Å; N288-A291 PolarHBondContact O-N 3.21Å; N288-R295 PolarHBondContact O-NH2 2.9Å | ||
| 289 | P | 94.5 | Very high | 88 | Confident | 89 Ų | 89 | 87.2 Ų | 87.2 | 58% | 0.578 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -57.6 | -37 | 178.1 | -25.2 | 35.7 | 0 | 0 | 0 | 113 | R287 A291 K292 | R287-P289 WeakPolarHBondContact O-CD 3.47Å; P289-A291 PolarHBondContact O-N 3.37Å; P289-K292 VanDerWaalsContact O-CB 3.32Å; P289-K292 WeakPolarHBondContact O-CB 3.37Å; P289-K292 PolarHBondContact O-N 3.39Å; P289-K292 VanDerWaalsContact O-N 3.15Å |
| 290 | F | 93.5 | Very high | 85.8 | Confident | 193 Ų | 193 | 89.6 Ų | 89.6 | 85% | 0.846 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -71.4 | -8.1 | 178.7 | -56.9 | -73 | 0 | 0 | 0 | 113.6 | N288 | N288-F290 PolarHBondContact O-N 3.08Å; N288-F290 WeakPolarHBondContact OD1-CB 3.47Å; N288-F290 WeakPolarHBondContact OD1-CD2 3.44Å; N288-F290 PolarHBondContact OD1-N 3.33Å |
| 291 | A | 93.7 | Very high | 83.6 | Confident | 14 Ų | 14 | 95.9 Ų | 95.9 | 12% | 0.116 | 48% | 0.476 | C | S | . | . | G | 310 helix | trans | -102.6 | 7.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | N288 P289 G293 F294 | N288-A291 HydrophobicContact CB-CB 4.02Å; N288-A291 PolarHBondContact O-N 3.21Å; P289-A291 PolarHBondContact O-N 3.37Å; A291-G293 PolarHBondContact O-N 3.34Å; A291-G293 VanDerWaalsContact O-N 3.1Å; A291-F294 PolarHBondContact O-N 2.95Å |
| 292 | K | 90.7 | Very high | 81.7 | Confident | 143 Ų | 143 | 98.5 Ų | 98.5 | 62% | 0.622 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -52.3 | -36.2 | -176 | -175.8 | 178.7 | 176.6 | -176 | 0 | 113.7 | P289 F294 R295 | P289-K292 VanDerWaalsContact O-CB 3.32Å; P289-K292 WeakPolarHBondContact O-CB 3.37Å; P289-K292 PolarHBondContact O-N 3.39Å; P289-K292 VanDerWaalsContact O-N 3.15Å; K292-F294 PolarHBondContact O-N 3.16Å; K292-F294 VanDerWaalsContact O-N 3.16Å; K292-R295 WeakPolarHBondContact O-CB 3.38Å; K292-R295 PolarHBondContact O-N 2.82Å |
| 293 | G | 91.3 | Very high | 79.8 | Confident | 70 Ų | 70 | 93 Ų | 93 | 72% | 0.722 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -62.8 | -17 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | A291 | A291-G293 PolarHBondContact O-N 3.34Å; A291-G293 VanDerWaalsContact O-N 3.1Å |
| 294 | F | 89.8 | Confident | 77.9 | Confident | 155 Ų | 155 | 97.9 Ų | 97.9 | 68% | 0.68 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -95.3 | -4 | 175.2 | -60.3 | -79.1 | 0 | 0 | 0 | 113.4 | I285 A291 K292 D296 | I285-F294 HydrophobicContact CD1-CB 4.01Å; I285-F294 HydrophobicContact CG1-CB 3.95Å; I285-F294 HydrophobicContact CG2-CB 3.85Å; I285-F294 WeakPolarHBondContact CG2-O 3.32Å; A291-F294 PolarHBondContact O-N 2.95Å; K292-F294 PolarHBondContact O-N 3.16Å; K292-F294 VanDerWaalsContact O-N 3.16Å; F294-D296 VanDerWaalsContact C-N 3.26Å; F294-D296 PolarHBondContact O-N 2.74Å |
| 295 | R | 90.6 | Very high | 76 | Confident | 85 Ų | 85 | 102.1 Ų | 102.1 | 32% | 0.321 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -79.6 | 73.8 | 177.1 | -59.9 | 178.2 | -165.5 | -173.1 | 2 | 110.1 | I285 D286 N288 K292 S297 | I285-R295 HydrophobicContact CG2-CB 4.36Å; I285-R295 HydrophobicContact CG2-CG 3.65Å; I285-R295 WeakPolarHBondContact O-CG 3.24Å; I285-R295 PolarHBondContact O-NE 3.29Å; D286-R295 PolarHBondContact O-NE 3.4Å; D286-R295 PolarHBondContact O-NH1 2.95Å; D286-R295 VanDerWaalsContact O-NH1 3.14Å; D286-R295 PolarHBondContact O-NH2 3.26Å; D286-R295 VanDerWaalsContact O-NH2 3.14Å; N288-R295 PolarHBondContact O-NH2 2.9Å; K292-R295 WeakPolarHBondContact O-CB 3.38Å; K292-R295 PolarHBondContact O-N 2.82Å; R295-S297 PolarHBondContact O-N 2.78Å; R295-S297 PolarHBondContact O-OG 2.93Å |
| 296 | D | 71.4 | Confident | 74.1 | Confident | 150 Ų | 150 | 102.4 Ų | 102.4 | 80% | 0.802 | 54% | 0.541 | S | S | * | . | trans | 30.8 | 46.6 | 172.3 | -74.1 | -46.4 | 0 | 0 | 0 | 115.8 | F294 G298 | F294-D296 VanDerWaalsContact C-N 3.26Å; F294-D296 PolarHBondContact O-N 2.74Å; D296-G298 VanDerWaalsContact C-N 3.26Å; D296-G298 PolarHBondContact O-N 2.97Å | ||
| 297 | S | 55 | Low | 72.7 | Confident | 94 Ų | 94 | 103.2 Ų | 103.2 | 66% | 0.657 | 54% | 0.544 | S | S | * | . | trans | -80.2 | 74.5 | -174 | -66.7 | 0 | 0 | 0 | 0 | 110.7 | R295 | R295-S297 PolarHBondContact O-N 2.78Å; R295-S297 PolarHBondContact O-OG 2.93Å | ||
| 298 | G | 53.6 | Low | 71.3 | Confident | 37 Ų | 37 | 104 Ų | 104 | 38% | 0.381 | 55% | 0.554 | S | S | . | * | S | Bend | trans | 91.1 | 26.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | D296 N300 R301 | D296-G298 VanDerWaalsContact C-N 3.26Å; D296-G298 PolarHBondContact O-N 2.97Å; G298-N300 PolarHBondContact O-N 3.42Å; G298-N300 VanDerWaalsContact O-N 3.1Å; G298-R301 WeakPolarHBondContact O-CB 3.47Å; G298-R301 PolarHBondContact O-N 3.22Å |
| 299 | R | 53.4 | Low | 69.4 | Low | 231 Ų | 231 | 107.7 Ų | 107.7 | 87% | 0.872 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -11.9 | 169.3 | -163.7 | 169.5 | -178.1 | 178.8 | 0.9 | 113.4 | ||
| 300 | N | 51.5 | Low | 67.8 | Low | 156 Ų | 156 | 107 Ų | 107 | 83% | 0.834 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | 3.1 | 169.8 | -65.9 | -17.9 | 0 | 0 | 0 | 114.2 | G298 T302 | G298-N300 PolarHBondContact O-N 3.42Å; G298-N300 VanDerWaalsContact O-N 3.1Å; N300-T302 VanDerWaalsContact C-N 3.34Å; N300-T302 PolarHBondContact O-N 3.07Å |
| 301 | R | 52.7 | Low | 66.2 | Low | 132 Ų | 132 | 106.2 Ų | 106.2 | 50% | 0.498 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -66.5 | 103.2 | 155.2 | -82 | -174.7 | 159.2 | -140.3 | -15.2 | 105.9 | G298 G303 E309 | G298-R301 WeakPolarHBondContact O-CB 3.47Å; G298-R301 PolarHBondContact O-N 3.22Å; R301-G303 PolarHBondContact O-N 2.86Å; R301-E309 IonicContact CZ-OE1 3.66Å; R301-E309 IonicContact CZ-OE2 4Å; R301-E309 IonicContact NH1-OE1 3.66Å; R301-E309 PolarHBondContact NH1-OE1 2.89Å; R301-E309 IonicContact NH1-OE2 3.39Å; R301-E309 PolarHBondContact NH1-OE2 2.58Å; R301-E309 IonicContact NH2-OE1 3.65Å; R301-E309 PolarHBondContact NH2-OE1 3.47Å; R301-E309 IonicContact NH2-OE2 2.63Å |
| 302 | T | 56.9 | Low | 64.6 | Low | 83 Ų | 83 | 108.7 Ų | 108.7 | 51% | 0.509 | 58% | 0.578 | S | S | . | * | trans | -55.5 | 142.9 | 174.3 | 61.8 | 0 | 0 | 0 | 0 | 108.4 | N300 L304 E305 | N300-T302 VanDerWaalsContact C-N 3.34Å; N300-T302 PolarHBondContact O-N 3.07Å; T302-L304 PolarHBondContact O-N 3.45Å; T302-E305 PolarHBondContact O-N 3.06Å | ||
| 303 | G | 56.2 | Low | 63.1 | Low | 52 Ų | 52 | 110.7 Ų | 110.7 | 54% | 0.536 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -55.1 | -26.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R301 E305 A306 I307 | R301-G303 PolarHBondContact O-N 2.86Å; G303-E305 PolarHBondContact O-N 3.01Å; G303-A306 PolarHBondContact O-N 2.93Å; G303-I307 WeakPolarHBondContact O-CB 3.44Å; G303-I307 WeakPolarHBondContact O-CD1 3.48Å; G303-I307 WeakPolarHBondContact O-CG1 3.37Å; G303-I307 PolarHBondContact O-N 3.31Å |
| 304 | L | 58.6 | Low | 61.4 | Low | 121 Ų | 121 | 117.2 Ų | 117.2 | 63% | 0.634 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -59.2 | -39.5 | 173.2 | -157.4 | 75.3 | 0 | 0 | 0 | 113.4 | T302 I307 M308 | T302-L304 PolarHBondContact O-N 3.45Å; L304-I307 PolarHBondContact O-N 2.54Å; L304-M308 HydrophobicContact CG-SD 4.46Å; L304-M308 VanDerWaalsContact O-CB 3.31Å; L304-M308 WeakPolarHBondContact O-CB 3.44Å; L304-M308 WeakPolarHBondContact O-CG 3.48Å; L304-M308 PolarHBondContact O-N 3.3Å |
| 305 | E | 57.3 | Low | 59.7 | Low | 95 Ų | 95 | 118.5 Ų | 118.5 | 44% | 0.444 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -70.7 | -43.3 | 179 | -74.8 | -174.5 | 154.6 | 0 | 0 | 112.3 | T302 G303 I307 M308 E309 | T302-E305 PolarHBondContact O-N 3.06Å; G303-E305 PolarHBondContact O-N 3.01Å; E305-I307 VanDerWaalsContact C-N 3.28Å; E305-I307 PolarHBondContact O-N 2.69Å; E305-M308 CarbonylContact O-C 3.59Å; E305-M308 PolarHBondContact O-N 3.33Å; E305-M308 VanDerWaalsContact O-N 3.12Å; E305-E309 PolarHBondContact O-N 3.33Å |
| 306 | A | 57.3 | Low | 57.6 | Low | 46 Ų | 46 | 119.1 Ų | 119.1 | 38% | 0.38 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.3 | -36.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G303 T310 | G303-A306 PolarHBondContact O-N 2.93Å; A306-T310 WeakPolarHBondContact O-CB 3.32Å; A306-T310 PolarHBondContact O-N 3.49Å; A306-T310 VanDerWaalsContact O-N 3.08Å; A306-T310 PolarHBondContact O-OG1 3.19Å |
| 307 | I | 65.1 | Low | 56.5 | Low | 98 Ų | 98 | 118.2 Ų | 118.2 | 50% | 0.503 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -68.4 | -37.5 | 171.8 | -69 | 166.8 | 0 | 0 | 0 | 110.9 | G303 L304 E305 T310 Y311 | G303-I307 WeakPolarHBondContact O-CB 3.44Å; G303-I307 WeakPolarHBondContact O-CD1 3.48Å; G303-I307 WeakPolarHBondContact O-CG1 3.37Å; G303-I307 PolarHBondContact O-N 3.31Å; L304-I307 PolarHBondContact O-N 2.54Å; E305-I307 VanDerWaalsContact C-N 3.28Å; E305-I307 PolarHBondContact O-N 2.69Å; I307-T310 WeakPolarHBondContact O-CB 3.45Å; I307-T310 PolarHBondContact O-N 3Å; I307-Y311 HydrophobicContact CG2-CD2 3.88Å; I307-Y311 HydrophobicContact CG2-CE2 4.22Å; I307-Y311 WeakPolarHBondContact O-CB 3.26Å; I307-Y311 PolarHBondContact O-N 2.87Å |
| 308 | M | 67.2 | Low | 56.5 | Low | 119 Ų | 119 | 119.3 Ų | 119.3 | 59% | 0.586 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -68.7 | -44.7 | 176.2 | -89.1 | 171.2 | 45.5 | 0 | 0 | 113 | L304 E305 T310 Y311 A312 | L304-M308 HydrophobicContact CG-SD 4.46Å; L304-M308 VanDerWaalsContact O-CB 3.31Å; L304-M308 WeakPolarHBondContact O-CB 3.44Å; L304-M308 WeakPolarHBondContact O-CG 3.48Å; L304-M308 PolarHBondContact O-N 3.3Å; E305-M308 CarbonylContact O-C 3.59Å; E305-M308 PolarHBondContact O-N 3.33Å; E305-M308 VanDerWaalsContact O-N 3.12Å; M308-T310 VanDerWaalsContact C-N 3.26Å; M308-T310 PolarHBondContact O-N 3.24Å; M308-Y311 PolarHBondContact O-N 3.07Å; M308-A312 WeakPolarHBondContact O-CB 3.49Å; M308-A312 PolarHBondContact O-N 2.81Å |
| 309 | E | 57.8 | Low | 56.4 | Low | 98 Ų | 98 | 128.1 Ų | 128.1 | 46% | 0.458 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -58.5 | -41.7 | 171.8 | -76.3 | -179.9 | 159.2 | 0 | 0 | 110.1 | R301 E305 A312 F313 | R301-E309 IonicContact CZ-OE1 3.66Å; R301-E309 IonicContact CZ-OE2 4Å; R301-E309 IonicContact NH1-OE1 3.66Å; R301-E309 PolarHBondContact NH1-OE1 2.89Å; R301-E309 IonicContact NH1-OE2 3.39Å; R301-E309 PolarHBondContact NH1-OE2 2.58Å; R301-E309 IonicContact NH2-OE1 3.65Å; R301-E309 PolarHBondContact NH2-OE1 3.47Å; R301-E309 IonicContact NH2-OE2 2.63Å; E305-E309 PolarHBondContact O-N 3.33Å; E309-A312 PolarHBondContact O-N 2.91Å; E309-F313 WeakPolarHBondContact O-CB 3.38Å; E309-F313 PolarHBondContact O-N 3.13Å |
| 310 | T | 59.5 | Low | 56.1 | Low | 75 Ų | 75 | 123.3 Ų | 123.3 | 46% | 0.46 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -63.7 | -46.3 | 174.6 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | A306 I307 M308 A312 F313 W314 | A306-T310 WeakPolarHBondContact O-CB 3.32Å; A306-T310 PolarHBondContact O-N 3.49Å; A306-T310 VanDerWaalsContact O-N 3.08Å; A306-T310 PolarHBondContact O-OG1 3.19Å; I307-T310 WeakPolarHBondContact O-CB 3.45Å; I307-T310 PolarHBondContact O-N 3Å; M308-T310 VanDerWaalsContact C-N 3.26Å; M308-T310 PolarHBondContact O-N 3.24Å; T310-A312 VanDerWaalsContact C-N 3.3Å; T310-A312 PolarHBondContact O-N 3.45Å; T310-F313 PolarHBondContact O-N 3.29Å; T310-F313 VanDerWaalsContact O-N 3.16Å; T310-W314 PolarHBondContact O-N 2.84Å; T310-W314 VanDerWaalsContact O-N 3.08Å |
| 311 | Y | 60 | Low | 55.9 | Low | 176 Ų | 176 | 121.6 Ų | 121.6 | 69% | 0.69 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.9 | -31.7 | 176.9 | -104.9 | -92.1 | 0 | 0 | 0 | 113 | I307 M308 R315 | I307-Y311 HydrophobicContact CG2-CD2 3.88Å; I307-Y311 HydrophobicContact CG2-CE2 4.22Å; I307-Y311 WeakPolarHBondContact O-CB 3.26Å; I307-Y311 PolarHBondContact O-N 2.87Å; M308-Y311 PolarHBondContact O-N 3.07Å; Y311-R315 WeakPolarHBondContact O-CG 3.41Å; Y311-R315 PolarHBondContact O-N 3.33Å |
| 312 | A | 60.4 | Low | 55.9 | Low | 67 Ų | 67 | 118.4 Ų | 118.4 | 55% | 0.554 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70 | -38.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | M308 E309 T310 W314 R315 | M308-A312 WeakPolarHBondContact O-CB 3.49Å; M308-A312 PolarHBondContact O-N 2.81Å; E309-A312 PolarHBondContact O-N 2.91Å; T310-A312 VanDerWaalsContact C-N 3.3Å; T310-A312 PolarHBondContact O-N 3.45Å; A312-W314 VanDerWaalsContact C-N 3.33Å; A312-W314 PolarHBondContact O-N 3.32Å; A312-R315 PolarHBondContact O-N 3.15Å |
| 313 | F | 59 | Low | 55.2 | Low | 184 Ų | 184 | 122.9 Ų | 122.9 | 81% | 0.807 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.4 | -29 | 177.8 | -147.8 | -88.7 | 0 | 0 | 0 | 113.4 | E309 T310 | E309-F313 WeakPolarHBondContact O-CB 3.38Å; E309-F313 PolarHBondContact O-N 3.13Å; T310-F313 PolarHBondContact O-N 3.29Å; T310-F313 VanDerWaalsContact O-N 3.16Å |
| 314 | W | 55.4 | Low | 55 | Low | 208 Ų | 208 | 127 Ų | 127 | 79% | 0.788 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 1 | 175.9 | -68.9 | 108.8 | 0 | 0 | 0 | 114.6 | T310 A312 P316 | T310-W314 PolarHBondContact O-N 2.84Å; T310-W314 VanDerWaalsContact O-N 3.08Å; A312-W314 VanDerWaalsContact C-N 3.33Å; A312-W314 PolarHBondContact O-N 3.32Å; W314-P316 WeakPolarHBondContact O-CD 3.46Å |
| 315 | R | 55.5 | Low | 54.5 | Low | 181 Ų | 181 | 125.5 Ų | 125.5 | 68% | 0.683 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -73.8 | 125.9 | 168.9 | -82.3 | -90.6 | -176.8 | 101 | -1.6 | 109.3 | Y311 A312 | Y311-R315 WeakPolarHBondContact O-CG 3.41Å; Y311-R315 PolarHBondContact O-N 3.33Å; A312-R315 PolarHBondContact O-N 3.15Å |
| 316 | P | 46.4 | Very low | 54 | Low | 99 Ų | 99 | 128.9 Ų | 128.9 | 64% | 0.643 | 64% | 0.638 | S | S | * | * | trans | -56.2 | 143.4 | 159.1 | -20.5 | 32.9 | 0 | 0 | 0 | 109.3 | W314 V318 | W314-P316 WeakPolarHBondContact O-CD 3.46Å; P316-V318 PolarHBondContact O-N 3.5Å | ||
| 317 | P | 48.4 | Very low | 53.7 | Low | 131 Ų | 131 | 131.2 Ų | 131.2 | 85% | 0.851 | 65% | 0.648 | S | S | * | * | trans | -67.3 | 95.1 | 176.2 | 27.5 | -33.7 | 0 | 0 | 0 | 109.5 | R319 | P317-R319 PolarHBondContact O-N 2.8Å; P317-R319 VanDerWaalsContact O-N 3.16Å | ||
| 318 | V | 54.8 | Low | 52.9 | Low | 116 Ų | 116 | 133.7 Ų | 133.7 | 70% | 0.703 | 66% | 0.662 | S | S | * | * | trans | -61.9 | 116.3 | 170.9 | -176.5 | 0 | 0 | 0 | 0 | 106.8 | P316 T320 | P316-V318 PolarHBondContact O-N 3.5Å; V318-T320 PolarHBondContact O-N 2.75Å | ||
| 319 | R | 50.5 | Low | 52 | Low | 223 Ų | 223 | 136.7 Ų | 136.7 | 84% | 0.842 | 68% | 0.677 | S | S | * | * | trans | -57.1 | 123.4 | 171.8 | -84.5 | -175.3 | 163.1 | 86.3 | -2 | 108.3 | P317 L321 | P317-R319 PolarHBondContact O-N 2.8Å; P317-R319 VanDerWaalsContact O-N 3.16Å; R319-L321 PolarHBondContact O-N 3.39Å | ||
| 320 | T | 48.1 | Very low | 51.5 | Low | 129 Ų | 129 | 140.6 Ų | 140.6 | 79% | 0.791 | 70% | 0.695 | S | S | * | * | trans | -64.6 | 99.1 | 166.7 | -41.3 | 0 | 0 | 0 | 0 | 107.3 | V318 T322 | V318-T320 PolarHBondContact O-N 2.75Å; T320-T322 PolarHBondContact O-N 3.47Å; T320-T322 VanDerWaalsContact O-N 3.14Å | ||
| 321 | L | 46.7 | Very low | 50.5 | Low | 120 Ų | 120 | 145.2 Ų | 145.2 | 63% | 0.628 | 71% | 0.709 | S | S | * | * | trans | -60 | 116.4 | 170.2 | -68.1 | 172.3 | 0 | 0 | 0 | 107.3 | R319 D325 | R319-L321 PolarHBondContact O-N 3.39Å; L321-D325 HydrophobicContact CD2-CB 4.43Å; L321-D325 WeakPolarHBondContact CD2-OD2 3.33Å | ||
| 322 | T | 52.3 | Low | 49.8 | Very low | 65 Ų | 65 | 146.1 Ų | 146.1 | 40% | 0.399 | 72% | 0.719 | S | S | . | * | trans | -80.6 | 163.4 | 175.5 | 64.5 | 0 | 0 | 0 | 0 | 108.9 | T320 E324 D325 | T320-T322 PolarHBondContact O-N 3.47Å; T320-T322 VanDerWaalsContact O-N 3.14Å; T322-E324 PolarHBondContact O-N 2.83Å; T322-E324 PolarHBondContact OG1-OE2 3.48Å; T322-D325 PolarHBondContact N-OD2 3.35Å; T322-D325 PolarHBondContact O-N 3.34Å | ||
| 323 | F | 42.7 | Very low | 48.6 | Very low | 177 Ų | 177 | 151.2 Ų | 151.2 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -20 | 179 | -171.3 | -103.3 | 0 | 0 | 0 | 112.8 | ||
| 324 | E | 52.4 | Low | 47.4 | Very low | 140 Ų | 140 | 145.6 Ų | 145.6 | 65% | 0.654 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -35.5 | 179.3 | -61.6 | 165.7 | 126 | 0 | 0 | 112.4 | T322 F326 T327 | T322-E324 PolarHBondContact O-N 2.83Å; T322-E324 PolarHBondContact OG1-OE2 3.48Å; E324-F326 PolarHBondContact O-N 3.18Å; E324-F326 VanDerWaalsContact O-N 3.15Å; E324-T327 PolarHBondContact O-N 3.01Å; E324-T327 PolarHBondContact O-OG1 3.37Å |
| 325 | D | 47.8 | Very low | 46.3 | Very low | 89 Ų | 89 | 139.2 Ų | 139.2 | 48% | 0.476 | 72% | 0.724 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58 | -31.1 | -179.6 | -75.5 | -42 | 0 | 0 | 0 | 112.9 | L321 T322 T327 | L321-D325 HydrophobicContact CD2-CB 4.43Å; L321-D325 WeakPolarHBondContact CD2-OD2 3.33Å; T322-D325 PolarHBondContact N-OD2 3.35Å; T322-D325 PolarHBondContact O-N 3.34Å; D325-T327 VanDerWaalsContact C-N 3.34Å |
| 326 | F | 47.2 | Very low | 45.3 | Very low | 166 Ų | 166 | 135.5 Ų | 135.5 | 73% | 0.728 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -19.8 | 176.8 | -79 | -85.3 | 0 | 0 | 0 | 113.8 | E324 | E324-F326 PolarHBondContact O-N 3.18Å; E324-F326 VanDerWaalsContact O-N 3.15Å |
| 327 | T | 51.3 | Low | 44.9 | Very low | 95 Ų | 95 | 137.2 Ų | 137.2 | 58% | 0.583 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -25.7 | -175.7 | 66.4 | 0 | 0 | 0 | 0 | 113.1 | E324 D325 M329 | E324-T327 PolarHBondContact O-N 3.01Å; E324-T327 PolarHBondContact O-OG1 3.37Å; D325-T327 VanDerWaalsContact C-N 3.34Å; T327-M329 PolarHBondContact O-N 2.7Å |
| 328 | N | 47.4 | Very low | 44.2 | Very low | 150 Ų | 150 | 133.9 Ų | 133.9 | 80% | 0.802 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -1.1 | -167.7 | -143 | -1.7 | 0 | 0 | 0 | 114.6 | ||
| 329 | M | 47.5 | Very low | 43.3 | Very low | 181 Ų | 181 | 135.6 Ų | 135.6 | 89% | 0.892 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -4.9 | 174 | -84.5 | -173.1 | 67.1 | 0 | 0 | 114.5 | T327 | T327-M329 PolarHBondContact O-N 2.7Š|
| 330 | Q | 47.5 | Very low | 42.8 | Very low | 181 Ų | 181 | 130.3 Ų | 130.3 | 85% | 0.846 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -136.2 | 54.3 | -172 | -157.4 | 167.9 | 5.1 | 0 | 0 | 115.5 | ||
| 331 | K | 38.8 | Very low | 43.1 | Very low | 171 Ų | 171 | 129.9 Ų | 129.9 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | trans | -145.4 | 56.2 | 156.1 | -149.3 | -179.1 | 177.7 | -174.6 | 0 | 116.7 | Q333 | K331-Q333 VanDerWaalsContact C-N 3.26Å; K331-Q333 VanDerWaalsContact CE-O 3.24Å; K331-Q333 WeakPolarHBondContact CE-O 3.11Å; K331-Q333 PolarHBondContact O-N 3.35Å | ||
| 332 | Q | 45.4 | Very low | 42.9 | Very low | 196 Ų | 196 | 130 Ų | 130 | 92% | 0.916 | 74% | 0.737 | S | S | * | * | trans | -80.8 | 74.1 | 149.3 | -81.9 | -163 | -6.6 | 0 | 0 | 110.6 | ||||
| 333 | Q | 35.6 | Very low | 42.3 | Very low | 174 Ų | 174 | 132.7 Ų | 132.7 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | trans | -177.3 | 141.3 | 151.4 | -108.2 | 170.1 | 17.5 | 0 | 0 | 113.1 | K331 | K331-Q333 VanDerWaalsContact C-N 3.26Å; K331-Q333 VanDerWaalsContact CE-O 3.24Å; K331-Q333 WeakPolarHBondContact CE-O 3.11Å; K331-Q333 PolarHBondContact O-N 3.35Å | ||
| 334 | G | 32.8 | Very low | 42.1 | Very low | 65 Ų | 65 | 129.2 Ų | 129.2 | 67% | 0.67 | 75% | 0.752 | S | S | * | * | trans | 81.7 | 116.6 | 143.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 335 | G | 33.7 | Very low | 41.4 | Very low | 74 Ų | 74 | 127.3 Ų | 127.3 | 76% | 0.763 | 75% | 0.754 | S | S | * | * | 104.2 | 98.1 | 124.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 336 | S | 34.5 | Very low | 41 | Very low | 103 Ų | 103 | 130 Ų | 130 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | 32.4 | 134.9 | 124.5 | -162.4 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 337 | T | 36.8 | Very low | 40.2 | Very low | 136 Ų | 136 | 125.7 Ų | 125.7 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | 51.9 | 137.6 | 146 | 50.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 338 | G | 33.7 | Very low | 39.7 | Very low | 61 Ų | 61 | 127.8 Ų | 127.8 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | cis | 155.8 | 176.6 | 6.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 339 | T | 37.1 | Very low | 40.1 | Very low | 151 Ų | 151 | 126.1 Ų | 126.1 | 93% | 0.926 | 79% | 0.786 | S | S | * | * | trans | 63.5 | 138.5 | 169.6 | 50.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 340 | S | 38.5 | Very low | 39.6 | Very low | 113 Ų | 113 | 122.7 Ų | 122.7 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -85.6 | -173.3 | 168.2 | -34.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 341 | P | 56.3 | Low | 40.1 | Very low | 119 Ų | 119 | 119.7 Ų | 119.7 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | -154.6 | 179.5 | 58 | 42.8 | -19.6 | 0 | 0 | 0 | 120 | |||||
| 342 | T | 42.4 | Very low | 40 | Very low | 122 Ų | 122 | 117.6 Ų | 117.6 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -38.1 | 159.6 | 169.2 | 56.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 343 | T | 38.4 | Very low | 39.4 | Very low | 122 Ų | 122 | 112.2 Ų | 112.2 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | -177.6 | 123 | 113.7 | 36.6 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 344 | S | 39.4 | Very low | 39.5 | Very low | 105 Ų | 105 | 109 Ų | 109 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | 56.4 | 130.5 | 77.7 | 67.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 345 | S | 38.3 | Very low | 39.6 | Very low | 99 Ų | 99 | 110.8 Ų | 110.8 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | -166.6 | 125.6 | 51.7 | 51.5 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 346 | T | 38.1 | Very low | 39.8 | Very low | 147 Ų | 147 | 116 Ų | 116 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | 58.5 | 126.7 | 107.4 | 64.7 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 347 | G | 31.5 | Very low | 39.9 | Very low | 74 Ų | 74 | 119 Ų | 119 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | trans | -177.4 | 146.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 348 | T | 39.8 | Very low | 39.9 | Very low | 140 Ų | 140 | 120.4 Ų | 120.4 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | trans | -152.7 | 177 | -172.3 | 54.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 349 | P | 55.7 | Low | 40 | Very low | 114 Ų | 114 | 123 Ų | 123 | 74% | 0.74 | 81% | 0.813 | S | S | * | * | cis | -130.3 | -179.6 | -27.3 | 28.7 | -6.5 | 0 | 0 | 0 | 115.4 | ||||
| 350 | S | 36.9 | Very low | 40.5 | Very low | 110 Ų | 110 | 122.2 Ų | 122.2 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -16 | 159 | 152.1 | -58.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 351 | P | 58.9 | Low | 40.1 | Very low | 118 Ų | 118 | 122.8 Ų | 122.8 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | -156.4 | -177.6 | 52.3 | 45 | -23.4 | 0 | 0 | 0 | 121.6 | |||||
| 352 | S | 36.7 | Very low | 39 | Very low | 126 Ų | 126 | 123.1 Ų | 123.1 | 88% | 0.881 | 82% | 0.818 | S | S | * | * | trans | 90 | 123 | 152.9 | -61 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 353 | G | 32.9 | Very low | 38.8 | Very low | 83 Ų | 83 | 122.2 Ų | 122.2 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | trans | 150.4 | 120.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 354 | A | 36.9 | Very low | 38.8 | Very low | 107 Ų | 107 | 122 Ų | 122 | 88% | 0.884 | 82% | 0.818 | S | S | * | * | trans | -136.4 | 141.1 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 355 | A | 35.5 | Very low | 39.2 | Very low | 103 Ų | 103 | 122.7 Ų | 122.7 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | trans | -166.1 | 143.4 | 151.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 356 | H | 38.4 | Very low | 38.9 | Very low | 182 Ų | 182 | 122.3 Ų | 122.3 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | trans | -105.9 | 147.1 | 167.2 | -72.1 | -110.9 | 0 | 0 | 0 | 109.6 | ||||
| 357 | L | 36.5 | Very low | 38.7 | Very low | 168 Ų | 168 | 125 Ų | 125 | 88% | 0.88 | 82% | 0.822 | S | S | * | * | -179.5 | 168.4 | 107.2 | -93.8 | 172.4 | 0 | 0 | 0 | 111.8 | |||||
| 358 | L | 36.6 | Very low | 38.7 | Very low | 164 Ų | 164 | 130.1 Ų | 130.1 | 86% | 0.859 | 83% | 0.826 | S | S | * | * | trans | -102.9 | 160.6 | -167.2 | -67.8 | 161.2 | 0 | 0 | 0 | 112.7 | ||||
| 359 | S | 34.7 | Very low | 38.4 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 81% | 0.811 | 83% | 0.829 | S | S | * | * | trans | -144 | 138.4 | 157.1 | -76.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 360 | P | 47.4 | Very low | 37.2 | Very low | 135 Ų | 135 | 131 Ų | 131 | 88% | 0.877 | 83% | 0.832 | S | S | * | * | trans | -83.9 | 152.6 | -166.7 | 33.1 | -36 | 0 | 0 | 0 | 113.3 | ||||
| 361 | S | 31.2 | Very low | 37.5 | Very low | 124 Ų | 124 | 131 Ų | 131 | 87% | 0.867 | 83% | 0.829 | S | S | * | * | trans | -122.3 | 135.5 | 163.5 | -167.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 362 | C | 32.1 | Very low | 36.2 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 85% | 0.851 | 83% | 0.831 | S | S | * | * | trans | -141.3 | 135.3 | -179.5 | -163.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 363 | S | 37.9 | Very low | 35.9 | Very low | 103 Ų | 103 | 132.9 Ų | 132.9 | 72% | 0.72 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 152.3 | -166.3 | -55.3 | 0 | 0 | 0 | 0 | 113.3 | ||
| 364 | P | 40.4 | Very low | 35.7 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 77% | 0.766 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 148.9 | 166.3 | 32.4 | -34.6 | 0 | 0 | 0 | 111.3 | ||
| 365 | P | 47.2 | Very low | 35.3 | Very low | 119 Ų | 119 | 139 Ų | 139 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 142.5 | 176 | 31.7 | -34.3 | 0 | 0 | 0 | 112 | ||
| 366 | A | 31.4 | Very low | 35.1 | Very low | 92 Ų | 92 | 140.8 Ų | 140.8 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 139.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 367 | F | 34.3 | Very low | 34.6 | Very low | 203 Ų | 203 | 135.6 Ų | 135.6 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 130 | 172.6 | -76.8 | -88 | 0 | 0 | 0 | 110.7 | ||
| 368 | H | 31.1 | Very low | 34.3 | Very low | 182 Ų | 182 | 133.7 Ų | 133.7 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -81 | 139.9 | 172.7 | -85.2 | -107.1 | 0 | 0 | 0 | 111.6 | ||
| 369 | L | 32.7 | Very low | 33.9 | Very low | 177 Ų | 177 | 135.7 Ų | 135.7 | 93% | 0.927 | 81% | 0.809 | S | S | * | * | trans | -134.3 | 141.8 | 157.3 | -75 | 175.8 | 0 | 0 | 0 | 109.3 | ||||
| 370 | A | 32.1 | Very low | 33.6 | Very low | 96 Ų | 96 | 136.4 Ų | 136.4 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | trans | -114.6 | 159.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 371 | P | 41.6 | Very low | 32.8 | Very low | 110 Ų | 110 | 134.1 Ų | 134.1 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | trans | -106.6 | 154.1 | -146.6 | 38.4 | -35.6 | 0 | 0 | 0 | 117.4 | ||||
| 372 | N | 33.1 | Very low | 32.8 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | 57.3 | 127.6 | 145.8 | -62.6 | -19.4 | 0 | 0 | 0 | 121.3 | ||||
| 373 | T | 30.3 | Very low | 32.7 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | -169.5 | 139.8 | 104.9 | 20.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 374 | F | 29.3 | Very low | 32.2 | Very low | 185 Ų | 185 | 137 Ų | 137 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | trans | 46.5 | 132.8 | 146.9 | -98.5 | -102.5 | 0 | 0 | 0 | 125.6 | ||||
| 375 | N | 28.5 | Very low | 31.6 | Very low | 132 Ų | 132 | 138.6 Ų | 138.6 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | 61.2 | 114.5 | 145.5 | -96.9 | 0.7 | 0 | 0 | 0 | 124 | ||||
| 376 | V | 31.3 | Very low | 30.8 | Very low | 141 Ų | 141 | 141.7 Ų | 141.7 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | 26.8 | 112.9 | 125.5 | -171.2 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 377 | G | 27.6 | Very low | 30.7 | Very low | 73 Ų | 73 | 139.9 Ų | 139.9 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | -160.6 | 151.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 378 | C | 28.9 | Very low | 30.5 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 87% | 0.865 | 78% | 0.779 | S | S | * | * | trans | -82.6 | 152.2 | -169.7 | -66.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 379 | R | 30 | Very low | 30.4 | Very low | 207 Ų | 207 | 134.5 Ų | 134.5 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | 26.1 | 162.1 | 125.7 | -141.7 | -175.4 | -169.5 | -100.1 | 3.8 | 120.9 | |||||
| 380 | E | 28.3 | Very low | 30.1 | Very low | 131 Ų | 131 | 135.3 Ų | 135.3 | 61% | 0.612 | 77% | 0.77 | S | S | * | * | trans | 70.7 | 149.6 | 174.7 | -103.7 | 42.8 | -110.2 | 0 | 0 | 114.2 | ||||
| 381 | S | 28.9 | Very low | 30 | Very low | 86 Ų | 86 | 140.8 Ų | 140.8 | 60% | 0.601 | 77% | 0.772 | S | S | * | * | cis | -176.9 | 164 | -34.9 | -103.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 382 | Q | 31.1 | Very low | 30.4 | Very low | 170 Ų | 170 | 141.5 Ų | 141.5 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | 75.2 | 132 | 148.7 | -86.3 | -178.8 | 7.6 | 0 | 0 | 123.7 | ||||
| 383 | L | 30.8 | Very low | 30.3 | Very low | 139 Ų | 139 | 138.4 Ų | 138.4 | 73% | 0.728 | 77% | 0.772 | S | S | * | * | trans | 87.5 | 104.6 | 137.4 | -63.8 | 165.6 | 0 | 0 | 0 | 123.5 | ||||
| 384 | C | 28.1 | Very low | 30.1 | Very low | 104 Ų | 104 | 138.5 Ų | 138.5 | 70% | 0.703 | 78% | 0.777 | S | S | * | * | 77.7 | 125.6 | 118.4 | -70.1 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 385 | N | 26.7 | Very low | 30.4 | Very low | 153 Ų | 153 | 133.4 Ų | 133.4 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | 44.6 | 123.7 | 135.1 | -70.9 | -3.2 | 0 | 0 | 0 | 122.3 | ||||
| 386 | L | 31.5 | Very low | 30.8 | Very low | 183 Ų | 183 | 138.7 Ų | 138.7 | 96% | 0.958 | 78% | 0.778 | S | S | * | * | -163.2 | 168.5 | 113.3 | -101.2 | 157.8 | 0 | 0 | 0 | 109.4 | |||||
| 387 | G | 28.1 | Very low | 30.8 | Very low | 55 Ų | 55 | 136.8 Ų | 136.8 | 57% | 0.567 | 77% | 0.771 | S | S | * | * | trans | -175.9 | -176.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 388 | L | 30.1 | Very low | 31 | Very low | 173 Ų | 173 | 141.5 Ų | 141.5 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | trans | 65.6 | 150.2 | -171.5 | -73.5 | 92.2 | 0 | 0 | 0 | 114.5 | ||||
| 389 | S | 28.7 | Very low | 31.2 | Very low | 99 Ų | 99 | 144.6 Ų | 144.6 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | cis | -172.7 | 144 | -16.7 | 49.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 390 | E | 26.4 | Very low | 31.3 | Very low | 193 Ų | 193 | 139.7 Ų | 139.7 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | -156.9 | 148.7 | 158.2 | -124.5 | 168.1 | -170.8 | 0 | 0 | 112.8 | ||||
| 391 | Y | 30 | Very low | 31.7 | Very low | 211 Ų | 211 | 137.9 Ų | 137.9 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | trans | -161.1 | 146.8 | -178.5 | -113 | -69.1 | 0 | 0 | 0 | 106.8 | ||||
| 392 | P | 51.1 | Low | 31.8 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | -151.5 | -155.3 | 82.5 | 40 | -20 | 0 | 0 | 0 | 113.2 | |||||
| 393 | A | 31 | Very low | 32 | Very low | 85 Ų | 85 | 142.9 Ų | 142.9 | 70% | 0.702 | 81% | 0.813 | S | S | * | * | -167.7 | 114.1 | -85.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 394 | C | 26 | Very low | 31.9 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 91% | 0.912 | 81% | 0.811 | S | S | * | * | trans | -168.7 | 134.3 | 173.4 | -177.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 395 | A | 35.1 | Very low | 32.1 | Very low | 77 Ų | 77 | 146 Ų | 146 | 64% | 0.636 | 82% | 0.823 | S | S | * | * | cis | -158.9 | 141.2 | -21.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 396 | R | 36.5 | Very low | 32.2 | Very low | 243 Ų | 243 | 142.6 Ų | 142.6 | 92% | 0.917 | 82% | 0.824 | S | S | * | * | trans | 59.8 | 158.5 | 155.1 | -70.1 | -179.9 | 169.4 | 167.8 | -3.4 | 120.3 | ||||
| 397 | S | 32.8 | Very low | 32 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 71% | 0.706 | 82% | 0.817 | S | S | * | * | cis | 170.2 | 125.8 | -48.2 | -94.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 398 | N | 30 | Very low | 32.4 | Very low | 172 Ų | 172 | 143.3 Ų | 143.3 | 92% | 0.92 | 83% | 0.833 | S | S | * | * | trans | -175.2 | 99 | 130.2 | -100 | -12.3 | 0 | 0 | 0 | 111.5 | ||||
| 399 | M | 33 | Very low | 32.6 | Very low | 193 Ų | 193 | 139.9 Ų | 139.9 | 95% | 0.951 | 83% | 0.83 | S | S | * | * | trans | -140.3 | 124.7 | 151.3 | -164.9 | -167.9 | -78.6 | 0 | 0 | 106.4 | ||||
| 400 | A | 33.9 | Very low | 32.6 | Very low | 105 Ų | 105 | 142.9 Ų | 142.9 | 87% | 0.868 | 84% | 0.838 | S | S | * | * | trans | -99.1 | 125.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 401 | A | 34.9 | Very low | 32.8 | Very low | 92 Ų | 92 | 136.5 Ų | 136.5 | 76% | 0.76 | 82% | 0.824 | S | S | * | * | trans | -112.7 | 159.5 | 174 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 402 | L | 31.2 | Very low | 32.9 | Very low | 175 Ų | 175 | 131.3 Ų | 131.3 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | trans | -149 | 136 | 145.4 | -112.6 | 170 | 0 | 0 | 0 | 110.5 | ||||
| 403 | Q | 35.3 | Very low | 31.9 | Very low | 186 Ų | 186 | 136.6 Ų | 136.6 | 87% | 0.869 | 82% | 0.824 | S | S | * | * | trans | -97.8 | 163.1 | 171.3 | -62.2 | 158.1 | -36.1 | 0 | 0 | 107.6 | ||||
| 404 | G | 29.8 | Very low | 31.9 | Very low | 66 Ų | 66 | 135.8 Ų | 135.8 | 68% | 0.68 | 82% | 0.824 | S | S | * | * | cis | 162.7 | 177.6 | -2.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 405 | Y | 31.6 | Very low | 32 | Very low | 244 Ų | 244 | 141 Ų | 141 | 96% | 0.957 | 82% | 0.824 | S | S | * | * | trans | 60.5 | 124.3 | 163.9 | -77.4 | -84.6 | 0 | 0 | 0 | 122.2 | ||||
| 406 | G | 29.9 | Very low | 31.9 | Very low | 81 Ų | 81 | 145.4 Ų | 145.4 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | 114.8 | 118.5 | 119.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 407 | G | 26.6 | Very low | 31.7 | Very low | 79 Ų | 79 | 143.3 Ų | 143.3 | 81% | 0.814 | 84% | 0.837 | S | S | * | * | trans | 170.2 | 118.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 408 | L | 36.2 | Very low | 31.7 | Very low | 173 Ų | 173 | 143.4 Ų | 143.4 | 91% | 0.906 | 84% | 0.844 | S | S | * | * | trans | -144.9 | 118.7 | 172.2 | -99.8 | 175.4 | 0 | 0 | 0 | 109.2 | ||||
| 409 | A | 33.8 | Very low | 31.8 | Very low | 101 Ų | 101 | 140.1 Ų | 140.1 | 84% | 0.835 | 84% | 0.841 | S | S | * | * | trans | 57 | 164.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 410 | D | 29.6 | Very low | 31.7 | Very low | 162 Ų | 162 | 134.9 Ų | 134.9 | 87% | 0.866 | 84% | 0.836 | S | S | * | * | cis | -134.6 | 173.9 | -7.7 | -158.4 | -9.4 | 0 | 0 | 0 | 108.8 | ||||
| 411 | G | 31.6 | Very low | 31.6 | Very low | 59 Ų | 59 | 133.9 Ų | 133.9 | 61% | 0.608 | 84% | 0.836 | S | S | * | * | trans | -99.7 | -156.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 412 | S | 32.1 | Very low | 31.6 | Very low | 102 Ų | 102 | 134.3 Ų | 134.3 | 71% | 0.713 | 84% | 0.839 | S | S | * | * | trans | 104.3 | 109.3 | 164.6 | -47.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 413 | Y | 29.7 | Very low | 31.9 | Very low | 237 Ų | 237 | 132.3 Ų | 132.3 | 93% | 0.929 | 83% | 0.834 | S | S | * | * | trans | 56.2 | 147.7 | 159.9 | -49.7 | -74.9 | 0 | 0 | 0 | 119.4 | ||||
| 414 | G | 30.3 | Very low | 32.7 | Very low | 68 Ų | 68 | 129 Ų | 129 | 70% | 0.701 | 83% | 0.829 | S | S | * | * | cis | 160.3 | 161.6 | -8.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 415 | R | 29.1 | Very low | 32.9 | Very low | 245 Ų | 245 | 131 Ų | 131 | 93% | 0.925 | 83% | 0.833 | S | S | * | * | trans | 64.2 | 109.9 | 160.4 | -166.6 | -169.7 | -153.7 | 176.2 | 8.1 | 119.4 | ||||
| 416 | L | 31.2 | Very low | 33 | Very low | 169 Ų | 169 | 124.3 Ų | 124.3 | 89% | 0.885 | 83% | 0.828 | S | S | * | * | trans | -143 | 132.6 | 152.5 | -77.5 | 178.4 | 0 | 0 | 0 | 110.8 | ||||
| 417 | Q | 32.3 | Very low | 33.4 | Very low | 199 Ų | 199 | 128.3 Ų | 128.3 | 93% | 0.93 | 83% | 0.825 | S | S | * | * | 173.3 | 119.8 | 127.8 | -97.3 | 177.2 | -4.3 | 0 | 0 | 112.6 | |||||
| 418 | A | 32.9 | Very low | 34.5 | Very low | 103 Ų | 103 | 129.7 Ų | 129.7 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | trans | -172.5 | 145.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 419 | A | 33.3 | Very low | 34.4 | Very low | 104 Ų | 104 | 125.8 Ų | 125.8 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | cis | -159.7 | 170.6 | -11.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 420 | G | 31.5 | Very low | 34.2 | Very low | 83 Ų | 83 | 130 Ų | 130 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | trans | 111.9 | 131 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 421 | G | 31.9 | Very low | 34.3 | Very low | 83 Ų | 83 | 127.1 Ų | 127.1 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | cis | 139.9 | 104.7 | -20.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 422 | A | 33.1 | Very low | 34.2 | Very low | 101 Ų | 101 | 134 Ų | 134 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | -164.9 | 101.5 | 159 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 423 | V | 38.1 | Very low | 34.3 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 81% | 0.806 | 82% | 0.82 | S | S | * | * | trans | -12.7 | 144.2 | 142.7 | 178.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 424 | P | 51.5 | Low | 35.4 | Very low | 118 Ų | 118 | 130.2 Ų | 130.2 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | cis | -137.4 | -174.7 | 39.9 | 19.9 | 7 | 0 | 0 | 0 | 116.4 | ||||
| 425 | S | 34.7 | Very low | 35.4 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | cis | -177.8 | 122.6 | -39.2 | 61 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 426 | A | 34.2 | Very low | 35.4 | Very low | 103 Ų | 103 | 131.8 Ų | 131.8 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -164 | 155.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 427 | Q | 37.5 | Very low | 35.5 | Very low | 165 Ų | 165 | 129.4 Ų | 129.4 | 77% | 0.771 | 79% | 0.791 | S | S | * | * | trans | -128.8 | 172 | -179.9 | -89.7 | -80.8 | -73.2 | 0 | 0 | 108.7 | ||||
| 428 | P | 49.5 | Very low | 35.4 | Very low | 108 Ų | 108 | 124.8 Ų | 124.8 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | cis | -111.1 | 165.1 | 18.8 | 7.8 | 18.6 | 0 | 0 | 0 | 113.8 | ||||
| 429 | S | 34.3 | Very low | 35.4 | Very low | 90 Ų | 90 | 125.1 Ų | 125.1 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | 68.7 | 139 | 59 | 99.2 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 430 | E | 29.9 | Very low | 35.6 | Very low | 189 Ų | 189 | 128.3 Ų | 128.3 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | cis | -131.5 | -163.7 | 19.4 | -63.8 | -167.6 | 92 | 0 | 0 | 115.2 | ||||
| 431 | S | 31.6 | Very low | 35.7 | Very low | 103 Ų | 103 | 132.7 Ų | 132.7 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | -124.3 | 174.3 | -167.7 | -62.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 432 | F | 30.2 | Very low | 35.7 | Very low | 202 Ų | 202 | 133 Ų | 133 | 89% | 0.886 | 78% | 0.775 | S | S | * | * | trans | 121.6 | 139.7 | 151.7 | -74.9 | -81.1 | 0 | 0 | 0 | 119.6 | ||||
| 433 | L | 32.9 | Very low | 35.6 | Very low | 159 Ų | 159 | 133.2 Ų | 133.2 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | -127.4 | 179.6 | 167.8 | -73.8 | 170.9 | 0 | 0 | 0 | 106.2 | ||||
| 434 | P | 54.3 | Low | 35.1 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 66% | 0.656 | 78% | 0.778 | S | S | * | * | cis | -135 | -167.8 | -6.5 | 23 | 3.2 | 0 | 0 | 0 | 114 | ||||
| 435 | Q | 29.5 | Very low | 34.2 | Very low | 140 Ų | 140 | 132.8 Ų | 132.8 | 65% | 0.654 | 78% | 0.779 | S | S | * | * | trans | 116.9 | 124 | 144 | -66.3 | -70.7 | -73.9 | 0 | 0 | 119.5 | ||||
| 436 | R | 30 | Very low | 34 | Very low | 206 Ų | 206 | 136.2 Ų | 136.2 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | trans | 66.5 | 110.9 | 137.7 | -71.9 | -176.4 | -167.6 | -132.1 | 0.7 | 122.5 | ||||
| 437 | T | 32.2 | Very low | 33.8 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | 37.1 | 131.3 | 121.3 | 59.9 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 438 | S | 30.8 | Very low | 33.4 | Very low | 102 Ų | 102 | 131 Ų | 131 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | -171.9 | 170.4 | 72.9 | -63.9 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 439 | S | 31.9 | Very low | 32.7 | Very low | 111 Ų | 111 | 131.2 Ų | 131.2 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | 62.5 | 110.4 | 145.6 | 54.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 440 | L | 38.3 | Very low | 32.6 | Very low | 171 Ų | 171 | 135.6 Ų | 135.6 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | trans | -15.9 | 141.5 | 141.6 | -59.3 | 163 | 0 | 0 | 0 | 118 | ||||
| 441 | I | 33.8 | Very low | 32.8 | Very low | 175 Ų | 175 | 129.7 Ų | 129.7 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | -130 | 150 | 143.5 | -70.6 | -177.1 | 0 | 0 | 0 | 107.8 | ||||
| 442 | A | 31.4 | Very low | 33.1 | Very low | 90 Ų | 90 | 130.5 Ų | 130.5 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | trans | -130.1 | 172.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 443 | A | 31.2 | Very low | 33.5 | Very low | 104 Ų | 104 | 129.2 Ų | 129.2 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | 73.3 | 109.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 444 | G | 28 | Very low | 33.6 | Very low | 81 Ų | 81 | 126.5 Ų | 126.5 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -135.4 | 141.1 | 148 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 445 | M | 32.5 | Very low | 32.6 | Very low | 161 Ų | 161 | 125.9 Ų | 125.9 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | trans | -126.6 | 151.3 | -167.5 | -86.2 | -176.5 | 63.8 | 0 | 0 | 114 | ||||
| 446 | Q | 30.7 | Very low | 32.8 | Very low | 180 Ų | 180 | 123 Ų | 123 | 84% | 0.841 | 82% | 0.822 | S | S | * | * | trans | 75.9 | 147.8 | 160.3 | -70.7 | 177.3 | 2.4 | 0 | 0 | 119.8 | ||||
| 447 | G | 30.1 | Very low | 33 | Very low | 85 Ų | 85 | 116.9 Ų | 116.9 | 88% | 0.876 | 82% | 0.823 | S | S | * | * | trans | 93.3 | 117.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 448 | G | 29 | Very low | 33.3 | Very low | 73 Ų | 73 | 116.9 Ų | 116.9 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | cis | 172.4 | 159.1 | -7.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 449 | A | 33.2 | Very low | 33.4 | Very low | 113 Ų | 113 | 116.2 Ų | 116.2 | 93% | 0.934 | 84% | 0.837 | S | S | * | * | trans | 63.7 | 138.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 450 | H | 33.5 | Very low | 33.4 | Very low | 183 Ų | 183 | 114.8 Ų | 114.8 | 85% | 0.847 | 84% | 0.84 | S | S | * | * | trans | -137.4 | 137.7 | 164.8 | -157.4 | -75.2 | 0 | 0 | 0 | 108.2 | ||||
| 451 | G | 34.6 | Very low | 33.1 | Very low | 64 Ų | 64 | 110.6 Ų | 110.6 | 66% | 0.66 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 148.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 452 | S | 36.2 | Very low | 33.1 | Very low | 121 Ų | 121 | 106.3 Ų | 106.3 | 85% | 0.846 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 151.8 | -169 | -55.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 453 | L | 38.8 | Very low | 33.2 | Very low | 174 Ų | 174 | 105.3 Ų | 105.3 | 91% | 0.911 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 167.9 | 152.6 | -65.5 | 102.5 | 0 | 0 | 0 | 110.6 | ||
| 454 | A | 35.1 | Very low | 33.5 | Very low | 103 Ų | 103 | 106.3 Ų | 106.3 | 85% | 0.851 | 84% | 0.837 | S | S | * | * | trans | -110.7 | 132.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 455 | G | 33.2 | Very low | 33.9 | Very low | 87 Ų | 87 | 107.2 Ų | 107.2 | 90% | 0.897 | 84% | 0.836 | S | S | * | * | trans | 83.5 | 135.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 456 | G | 33.7 | Very low | 34.1 | Very low | 80 Ų | 80 | 104.2 Ų | 104.2 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | cis | 167.3 | 92.6 | -10.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 457 | G | 34.5 | Very low | 34.1 | Very low | 78 Ų | 78 | 99.7 Ų | 99.7 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | trans | 75.4 | 160.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 458 | S | 38.6 | Very low | 34.2 | Very low | 118 Ų | 118 | 99.1 Ų | 99.1 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | cis | -168 | 131.3 | -16.1 | 51.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 459 | G | 32.5 | Very low | 34.3 | Very low | 88 Ų | 88 | 104.8 Ų | 104.8 | 91% | 0.907 | 84% | 0.836 | S | S | * | * | trans | 86 | 144 | 164 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 460 | G | 33 | Very low | 34.3 | Very low | 81 Ų | 81 | 107.1 Ų | 107.1 | 84% | 0.835 | 83% | 0.83 | S | S | * | * | cis | 162.2 | 153.3 | -12.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 461 | G | 32.3 | Very low | 34.2 | Very low | 83 Ų | 83 | 105.1 Ų | 105.1 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | trans | 103.1 | 100.2 | 151.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 462 | G | 32.8 | Very low | 34 | Very low | 86 Ų | 86 | 105.6 Ų | 105.6 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | trans | 79.2 | 156.1 | 151.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 463 | G | 33.4 | Very low | 33.7 | Very low | 69 Ų | 69 | 111.2 Ų | 111.2 | 71% | 0.711 | 83% | 0.827 | S | S | * | * | cis | 166.4 | 161.5 | -8.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 464 | S | 37.9 | Very low | 33.3 | Very low | 125 Ų | 125 | 106.5 Ų | 106.5 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | 69.3 | 124.3 | 172 | -58.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 465 | A | 36.6 | Very low | 33 | Very low | 100 Ų | 100 | 105.2 Ų | 105.2 | 83% | 0.826 | 82% | 0.818 | S | S | * | * | 90 | 150.6 | 59.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 466 | A | 35.5 | Very low | 33.2 | Very low | 98 Ų | 98 | 110.2 Ų | 110.2 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | cis | -155.7 | 155.1 | 7.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 467 | G | 31.3 | Very low | 33 | Very low | 85 Ų | 85 | 114.7 Ų | 114.7 | 88% | 0.876 | 82% | 0.822 | S | S | * | * | trans | 74 | 152 | 152.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 468 | G | 32.1 | Very low | 32.7 | Very low | 72 Ų | 72 | 114.6 Ų | 114.6 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | cis | 161.9 | 137.8 | -14 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 469 | K | 31.5 | Very low | 32.2 | Very low | 193 Ų | 193 | 113.8 Ų | 113.8 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | trans | 69.6 | 138.8 | 172.9 | -65.5 | -175.9 | 175.8 | -177.7 | 0 | 115.9 | ||||
| 470 | M | 33.4 | Very low | 32.2 | Very low | 162 Ų | 162 | 119 Ų | 119 | 80% | 0.798 | 81% | 0.814 | S | S | * | * | cis | 73.5 | 128 | 44.1 | -61.2 | 168.6 | 148.7 | 0 | 0 | 112.8 | ||||
| 471 | D | 30.3 | Very low | 33 | Very low | 140 Ų | 140 | 120.7 Ų | 120.7 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | cis | -163.5 | 162.3 | -4 | -126.9 | -47.3 | 0 | 0 | 0 | 114.2 | ||||
| 472 | A | 31.5 | Very low | 33.2 | Very low | 75 Ų | 75 | 121.3 Ų | 121.3 | 62% | 0.62 | 81% | 0.807 | S | S | * | * | trans | 66.2 | 150.5 | 150.8 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 473 | Y | 30.6 | Very low | 33.2 | Very low | 238 Ų | 238 | 122.4 Ų | 122.4 | 93% | 0.933 | 80% | 0.801 | S | S | * | * | trans | 64.9 | 118.8 | 159.2 | -76.4 | -73.4 | 0 | 0 | 0 | 123.5 | ||||
| 474 | G | 28.5 | Very low | 33.2 | Very low | 75 Ų | 75 | 128.4 Ų | 128.4 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | 132.5 | 128 | 127.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 475 | G | 29.5 | Very low | 32.8 | Very low | 77 Ų | 77 | 130.6 Ų | 130.6 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | 78 | 94 | 142.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 476 | Q | 36.6 | Very low | 32.4 | Very low | 192 Ų | 192 | 134.4 Ų | 134.4 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | 14.7 | 108.1 | 122.4 | 177.1 | -177.7 | -20.6 | 0 | 0 | 118.1 | |||||
| 477 | L | 29.9 | Very low | 32.2 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | trans | 176.8 | 129.6 | 141.8 | -101.3 | 163.9 | 0 | 0 | 0 | 114 | ||||
| 478 | G | 28 | Very low | 32.2 | Very low | 77 Ų | 77 | 142.4 Ų | 142.4 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | 66.4 | -179.5 | 154.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 479 | S | 29.2 | Very low | 32.2 | Very low | 100 Ų | 100 | 145.3 Ų | 145.3 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | cis | -173.7 | 103.2 | -26.6 | 169.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 480 | F | 31.9 | Very low | 32.3 | Very low | 198 Ų | 198 | 144.3 Ų | 144.3 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | trans | 61.4 | 174.6 | 150.4 | -72.2 | -61.3 | 0 | 0 | 0 | 118.5 | ||||
| 481 | P | 50 | Low | 32.1 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | cis | -121.9 | 157.1 | 1.1 | 40.2 | -26.3 | 0 | 0 | 0 | 116.8 | ||||
| 482 | A | 37.2 | Very low | 32 | Very low | 96 Ų | 96 | 138.4 Ų | 138.4 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | trans | -104 | 152.5 | 146 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 483 | S | 32.7 | Very low | 31.9 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | -135.7 | 82.8 | -175.4 | 46.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 484 | Q | 32.1 | Very low | 31.9 | Very low | 196 Ų | 196 | 132.5 Ų | 132.5 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | trans | -108 | 136.3 | 139 | -72.1 | -160.7 | 14 | 0 | 0 | 107.9 | ||||
| 485 | L | 30.6 | Very low | 32.1 | Very low | 170 Ų | 170 | 134.6 Ų | 134.6 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -132.9 | 105 | 177.8 | -101.7 | 168.9 | 0 | 0 | 0 | 110.9 | ||||
| 486 | Q | 27.9 | Very low | 32.1 | Very low | 180 Ų | 180 | 135 Ų | 135 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 147.8 | 159.7 | -173.2 | 69.4 | 17.9 | 0 | 0 | 109 | ||
| 487 | Y | 32.2 | Very low | 31.9 | Very low | 211 Ų | 211 | 131.1 Ų | 131.1 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 150.8 | 179.2 | -134.3 | -93.6 | 0 | 0 | 0 | 113.9 | ||
| 488 | M | 31.1 | Very low | 32 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 69% | 0.69 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 171.8 | 175.8 | -69.7 | -169 | -57.5 | 0 | 0 | 113.2 | ||
| 489 | M | 32.2 | Very low | 32.3 | Very low | 134 Ų | 134 | 128.4 Ų | 128.4 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | cis | -156.2 | 150.2 | -2.9 | -123.5 | -168.7 | -60.3 | 0 | 0 | 107.3 | ||||
| 490 | Q | 32.3 | Very low | 32.5 | Very low | 172 Ų | 172 | 128.9 Ų | 128.9 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | 58.2 | 139.5 | 91.4 | -163 | 167.3 | -0.3 | 0 | 0 | 115.4 | |||||
| 491 | A | 30.2 | Very low | 32.5 | Very low | 96 Ų | 96 | 124.1 Ų | 124.1 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | cis | -125.5 | -175.5 | 5.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 492 | G | 28.1 | Very low | 31.8 | Very low | 81 Ų | 81 | 122.9 Ų | 122.9 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | cis | 160.9 | 165.5 | 5.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 493 | G | 29.2 | Very low | 31.6 | Very low | 63 Ų | 63 | 124.1 Ų | 124.1 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | cis | 178 | 172.8 | -3.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 494 | S | 31.4 | Very low | 31.5 | Very low | 126 Ų | 126 | 122.8 Ų | 122.8 | 88% | 0.881 | 79% | 0.787 | S | S | * | * | trans | 63.6 | 153.5 | -179 | 74.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 495 | S | 31.3 | Very low | 31.4 | Very low | 119 Ų | 119 | 119.3 Ų | 119.3 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | cis | -169.5 | 155.4 | -19.2 | 46.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 496 | G | 30 | Very low | 31.6 | Very low | 85 Ų | 85 | 116.5 Ų | 116.5 | 88% | 0.876 | 78% | 0.779 | S | S | * | * | trans | 139.8 | 117.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 497 | S | 32.8 | Very low | 32.7 | Very low | 112 Ų | 112 | 113.4 Ų | 113.4 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | -81.1 | 149.2 | 178 | 50.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 498 | A | 31.4 | Very low | 32.7 | Very low | 96 Ų | 96 | 107.9 Ų | 107.9 | 79% | 0.793 | 77% | 0.766 | S | S | * | * | trans | 64.3 | 158.9 | 146.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 499 | S | 34.3 | Very low | 32.8 | Very low | 96 Ų | 96 | 106.7 Ų | 106.7 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | cis | -170 | 165 | -24.2 | 52.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 500 | S | 33.7 | Very low | 32.7 | Very low | 111 Ų | 111 | 104.8 Ų | 104.8 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | 62.3 | 157.5 | 168.8 | 29.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 501 | S | 32.5 | Very low | 32.7 | Very low | 98 Ų | 98 | 104.9 Ų | 104.9 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | cis | -164.6 | 179.6 | -16.1 | 49.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 502 | S | 34.1 | Very low | 32.7 | Very low | 90 Ų | 90 | 108.3 Ų | 108.3 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | trans | 49.4 | 97.5 | 145.1 | 56.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 503 | S | 34.4 | Very low | 32.9 | Very low | 122 Ų | 122 | 113.8 Ų | 113.8 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | 77 | 129.1 | 86.7 | 70.9 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 504 | G | 29.3 | Very low | 32.7 | Very low | 81 Ų | 81 | 114.2 Ų | 114.2 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | 172.7 | 116.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 505 | S | 31.4 | Very low | 32.5 | Very low | 123 Ų | 123 | 112.5 Ų | 112.5 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -58 | 159 | -178.8 | -47.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 506 | S | 34.7 | Very low | 32.3 | Very low | 111 Ų | 111 | 110.2 Ų | 110.2 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -60 | 171.2 | 154.5 | -27.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 507 | P | 49.3 | Very low | 32.3 | Very low | 114 Ų | 114 | 114.5 Ų | 114.5 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | cis | -156.4 | -179.9 | 48 | 40 | -15.3 | 0 | 0 | 0 | 120 | ||||
| 508 | S | 32.9 | Very low | 32.4 | Very low | 96 Ų | 96 | 116.9 Ų | 116.9 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | trans | 57.5 | 112.1 | 139.3 | 63.9 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 509 | S | 32.6 | Very low | 32.3 | Very low | 114 Ų | 114 | 119.9 Ų | 119.9 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | 43.9 | 132.2 | 126.8 | 66 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 510 | A | 31.1 | Very low | 32.3 | Very low | 94 Ų | 94 | 121.7 Ų | 121.7 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | -168.7 | 146.4 | 121.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 511 | H | 31.5 | Very low | 32.3 | Very low | 175 Ų | 175 | 121.6 Ų | 121.6 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | trans | -30.1 | 148.3 | 165.6 | -52 | -98.7 | 0 | 0 | 0 | 121.5 | ||||
| 512 | M | 31.6 | Very low | 32.4 | Very low | 167 Ų | 167 | 125.1 Ų | 125.1 | 82% | 0.823 | 77% | 0.774 | S | S | * | * | 168.1 | 175.1 | 105.7 | -85.7 | -132.6 | 173.2 | 0 | 0 | 116.1 | |||||
| 513 | F | 30.9 | Very low | 32.2 | Very low | 197 Ų | 197 | 124 Ų | 124 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -46.1 | 165.7 | 177 | -62.1 | -105.8 | 0 | 0 | 0 | 116.5 | ||||
| 514 | G | 25.4 | Very low | 32.2 | Very low | 72 Ų | 72 | 122.9 Ų | 122.9 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | cis | 154.5 | 146.6 | -4.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 515 | G | 26.5 | Very low | 32.4 | Very low | 89 Ų | 89 | 129 Ų | 129 | 92% | 0.918 | 77% | 0.768 | S | S | * | * | trans | 81 | 157.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 516 | G | 27.3 | Very low | 32.4 | Very low | 71 Ų | 71 | 129.8 Ų | 129.8 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | cis | 170.7 | 176.2 | -9.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 517 | H | 31.6 | Very low | 32.1 | Very low | 176 Ų | 176 | 129.1 Ų | 129.1 | 82% | 0.815 | 76% | 0.764 | S | S | * | * | trans | 84.4 | 146.3 | 163.1 | -87.7 | 56.8 | 0 | 0 | 0 | 123.3 | ||||
| 518 | H | 34.1 | Very low | 31.3 | Very low | 161 Ų | 161 | 134 Ų | 134 | 75% | 0.745 | 77% | 0.774 | S | S | * | * | trans | 56.3 | 130 | 171.1 | -64.1 | -68.7 | 0 | 0 | 0 | 121 | ||||
| 519 | H | 30 | Very low | 31.3 | Very low | 159 Ų | 159 | 134.7 Ų | 134.7 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | cis | 108.3 | 98.4 | 4.8 | -170.8 | 70.5 | 0 | 0 | 0 | 117.8 | Q521 | H519-Q521 WeakPolarHBondContact NE2-CG 3.49Å; H519-Q521 PolarHBondContact NE2-NE2 2.69Å | ||
| 520 | V | 32.8 | Very low | 31.2 | Very low | 135 Ų | 135 | 138 Ų | 138 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -147.4 | 109.2 | 150 | -175.5 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 521 | Q | 35 | Very low | 31.3 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 51% | 0.505 | 79% | 0.786 | S | S | . | * | 59.5 | 138.5 | 84 | -61.1 | -155.6 | 25.3 | 0 | 0 | 114.7 | H519 | H519-Q521 WeakPolarHBondContact NE2-CG 3.49Å; H519-Q521 PolarHBondContact NE2-NE2 2.69Å | |||
| 522 | Q | 33.4 | Very low | 31.1 | Very low | 173 Ų | 173 | 140.2 Ų | 140.2 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | cis | -161.7 | 160.5 | 3.2 | -127.9 | -179.3 | 16.4 | 0 | 0 | 112.6 | ||||
| 523 | G | 30.5 | Very low | 31.4 | Very low | 65 Ų | 65 | 135.7 Ų | 135.7 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | trans | 87.9 | 116.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 524 | S | 33.8 | Very low | 31.4 | Very low | 100 Ų | 100 | 136.6 Ų | 136.6 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | cis | 67.6 | 128.1 | 43.4 | -48.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 525 | Y | 33.3 | Very low | 31.8 | Very low | 208 Ų | 208 | 141.3 Ų | 141.3 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | cis | -135.4 | 133.1 | 35.4 | -79.1 | -97 | 0 | 0 | 0 | 116.6 | ||||
| 526 | N | 31.6 | Very low | 32.2 | Very low | 140 Ų | 140 | 144 Ų | 144 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | 42.1 | 123.7 | 125.1 | -64.9 | -8.5 | 0 | 0 | 0 | 122.6 | |||||
| 527 | A | 30 | Very low | 32.7 | Very low | 97 Ų | 97 | 150.2 Ų | 150.2 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | trans | -111.1 | 153.6 | 148.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 528 | F | 31.9 | Very low | 32.7 | Very low | 216 Ų | 216 | 145.6 Ų | 145.6 | 95% | 0.947 | 77% | 0.771 | S | S | * | * | trans | -89.5 | 129.6 | 170.5 | -86.6 | -86.2 | 0 | 0 | 0 | 110.8 | ||||
| 529 | S | 32 | Very low | 32.7 | Very low | 111 Ų | 111 | 148 Ų | 148 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -86.6 | 145.7 | 174.6 | -61.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 530 | L | 31.1 | Very low | 32.9 | Very low | 184 Ų | 184 | 148.1 Ų | 148.1 | 96% | 0.963 | 78% | 0.782 | S | S | * | * | trans | -120.4 | 140.5 | 142.8 | -86 | 173.4 | 0 | 0 | 0 | 108.8 | ||||
| 531 | H | 32.8 | Very low | 33 | Very low | 164 Ų | 164 | 151 Ų | 151 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | -109.3 | 138.7 | -163.3 | -169.5 | -81.9 | 0 | 0 | 0 | 110 | ||||
| 532 | N | 27.7 | Very low | 33.2 | Very low | 152 Ų | 152 | 152 Ų | 152 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | -139 | 119 | 166.1 | -161.6 | 27.4 | 0 | 0 | 0 | 109.5 | ||||
| 533 | P | 38.6 | Very low | 33.4 | Very low | 71 Ų | 71 | 148.4 Ų | 148.4 | 46% | 0.461 | 80% | 0.799 | S | S | . | * | trans | -80.9 | -173.1 | -178.2 | 34.1 | -35.4 | 0 | 0 | 0 | 112.6 | ||||
| 534 | Y | 30.9 | Very low | 33.6 | Very low | 216 Ų | 216 | 150.5 Ų | 150.5 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | trans | 77.4 | 78.4 | -179.6 | -54.5 | -74.3 | 0 | 0 | 0 | 116.4 | ||||
| 535 | N | 33 | Very low | 34 | Very low | 171 Ų | 171 | 152 Ų | 152 | 91% | 0.914 | 81% | 0.811 | S | S | * | * | trans | -146.9 | 115.5 | 136.4 | -108.6 | -39.9 | 0 | 0 | 0 | 109.4 | ||||
| 536 | L | 35.8 | Very low | 34.3 | Very low | 145 Ų | 145 | 153.7 Ų | 153.7 | 76% | 0.759 | 82% | 0.816 | S | S | * | * | trans | -137.9 | 139.6 | 177.5 | -160.2 | 72.9 | 0 | 0 | 0 | 107.8 | ||||
| 537 | Y | 37.1 | Very low | 34.5 | Very low | 203 Ų | 203 | 155.7 Ų | 155.7 | 80% | 0.796 | 83% | 0.825 | S | S | * | * | trans | 68 | 83.7 | -172.5 | -57.4 | -77.6 | 0 | 0 | 0 | 116.4 | ||||
| 538 | G | 30.8 | Very low | 34.6 | Very low | 79 Ų | 79 | 156 Ų | 156 | 81% | 0.814 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 131.5 | 156 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 539 | Y | 35.2 | Very low | 34.7 | Very low | 210 Ų | 210 | 150.5 Ų | 150.5 | 82% | 0.824 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -89 | 129.3 | 172.7 | -88.2 | -98 | 0 | 0 | 0 | 111 | ||
| 540 | N | 33.5 | Very low | 34.5 | Very low | 163 Ų | 163 | 150.4 Ų | 150.4 | 87% | 0.872 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 131.7 | 174.5 | -81.9 | -54.4 | 0 | 0 | 0 | 111.7 | ||
| 541 | F | 34.6 | Very low | 35.2 | Very low | 196 Ų | 196 | 147.5 Ų | 147.5 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 132.4 | 166.9 | -79.3 | -93.5 | 0 | 0 | 0 | 110.3 | ||
| 542 | P | 39.4 | Very low | 35.2 | Very low | 127 Ų | 127 | 148.7 Ų | 148.7 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 125.1 | 170.7 | 30.2 | -32.3 | 0 | 0 | 0 | 110.8 | ||
| 543 | A | 38.4 | Very low | 35.5 | Very low | 98 Ų | 98 | 151.1 Ų | 151.1 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 144.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 544 | S | 34 | Very low | 35.6 | Very low | 110 Ų | 110 | 153.9 Ų | 153.9 | 77% | 0.769 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -68 | 148.4 | 176.4 | -51.1 | 0 | 0 | 0 | 0 | 112.3 | ||
| 545 | P | 42.8 | Very low | 35.9 | Very low | 132 Ų | 132 | 153.1 Ų | 153.1 | 86% | 0.857 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 142.3 | -174.3 | 28.1 | -35.4 | 0 | 0 | 0 | 112.8 | ||
| 546 | R | 39.6 | Very low | 35.7 | Very low | 243 Ų | 243 | 148.8 Ų | 148.8 | 92% | 0.917 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 150 | 167.9 | -72.4 | -174.2 | 175.4 | -171.9 | -0.6 | 110.8 | ||
| 547 | L | 34.8 | Very low | 35.5 | Very low | 181 Ų | 181 | 145.4 Ų | 145.4 | 95% | 0.948 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 141.3 | 170.9 | -63.1 | 166.7 | 0 | 0 | 0 | 110.4 | ||
| 548 | A | 32.4 | Very low | 35.3 | Very low | 105 Ų | 105 | 143.4 Ų | 143.4 | 87% | 0.868 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 156.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 549 | A | 33.6 | Very low | 35.3 | Very low | 100 Ų | 100 | 147.5 Ų | 147.5 | 83% | 0.826 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -100 | 168 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 550 | S | 27.6 | Very low | 35 | Very low | 109 Ų | 109 | 142.4 Ų | 142.4 | 76% | 0.762 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -68 | 147.7 | 176.5 | -174 | 0 | 0 | 0 | 0 | 112.5 | ||
| 551 | P | 46.6 | Very low | 34.8 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 79% | 0.792 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 153.6 | 174.4 | 32.2 | -36.3 | 0 | 0 | 0 | 113.2 | ||
| 552 | E | 33.4 | Very low | 34.6 | Very low | 189 Ų | 189 | 135.8 Ų | 135.8 | 88% | 0.883 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 166.6 | 175.3 | -62.9 | -171.1 | 114.5 | 0 | 0 | 113.1 | ||
| 553 | K | 33.8 | Very low | 34.2 | Very low | 203 Ų | 203 | 134 Ų | 134 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | trans | -140.2 | 158.1 | 162.2 | -98.2 | -171.6 | 176.4 | -178.8 | 0 | 110.7 | ||||
| 554 | P | 40.3 | Very low | 34.7 | Very low | 130 Ų | 130 | 135 Ų | 135 | 84% | 0.844 | 82% | 0.824 | S | S | * | * | trans | -89.5 | 178 | -147.8 | 34.9 | -38.8 | 0 | 0 | 0 | 117.1 | ||||
| 555 | Q | 36.8 | Very low | 34.5 | Very low | 200 Ų | 200 | 134.7 Ų | 134.7 | 94% | 0.935 | 83% | 0.829 | S | S | * | * | trans | -80.6 | 157 | -164.3 | -59.7 | 174 | -44.8 | 0 | 0 | 116.6 | ||||
| 556 | G | 30.1 | Very low | 33.8 | Very low | 80 Ų | 80 | 132.4 Ų | 132.4 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | trans | 149.2 | 126.6 | 156.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 557 | G | 30.1 | Very low | 33.4 | Very low | 73 Ų | 73 | 125.2 Ų | 125.2 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | cis | 177.1 | 135.8 | -11 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 558 | L | 34.4 | Very low | 33.2 | Very low | 161 Ų | 161 | 126.6 Ų | 126.6 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | trans | 39 | 117.2 | 163.3 | -68 | 164.4 | 0 | 0 | 0 | 120 | ||||
| 559 | L | 30.3 | Very low | 33.2 | Very low | 165 Ų | 165 | 125.6 Ų | 125.6 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | -179.5 | -175 | 104.8 | -91.5 | -180 | 0 | 0 | 0 | 111.5 | |||||
| 560 | C | 29.4 | Very low | 33 | Very low | 103 Ų | 103 | 127.9 Ų | 127.9 | 70% | 0.696 | 81% | 0.806 | S | S | * | * | trans | -116.1 | 161.3 | -147.1 | -58.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 561 | S | 28.6 | Very low | 33.2 | Very low | 102 Ų | 102 | 131.5 Ų | 131.5 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | trans | 68.3 | 119.5 | 136.9 | 60.1 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 562 | S | 29.7 | Very low | 32.5 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | 69 | 145 | 136.6 | 53.7 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 563 | A | 31.4 | Very low | 32.4 | Very low | 90 Ų | 90 | 132.9 Ų | 132.9 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | trans | -80.4 | -173.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 564 | P | 49.4 | Very low | 32.4 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | cis | -141.2 | -176 | 8.2 | 44.5 | -25.7 | 0 | 0 | 0 | 117 | ||||
| 565 | A | 30.4 | Very low | 32.6 | Very low | 104 Ų | 104 | 130.5 Ų | 130.5 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | 47.1 | 136.2 | 147.4 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 566 | G | 28.1 | Very low | 32.5 | Very low | 84 Ų | 84 | 129.3 Ų | 129.3 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | trans | 153.3 | 137.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 567 | A | 31.2 | Very low | 32.6 | Very low | 93 Ų | 93 | 128.8 Ų | 128.8 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -109.6 | 163 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 568 | F | 29.1 | Very low | 32.6 | Very low | 209 Ų | 209 | 129 Ų | 129 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | -171.2 | 168.3 | 119.4 | -114 | -83.2 | 0 | 0 | 0 | 112.6 | |||||
| 569 | A | 33.2 | Very low | 33 | Very low | 85 Ų | 85 | 130 Ų | 130 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | trans | -15 | 162.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 570 | E | 29.4 | Very low | 33.1 | Very low | 147 Ų | 147 | 129.6 Ų | 129.6 | 69% | 0.687 | 79% | 0.785 | S | S | * | * | cis | -154.2 | 149.6 | 26.7 | -142 | -175.8 | 111.5 | 0 | 0 | 106.8 | ||||
| 571 | R | 32.4 | Very low | 33.1 | Very low | 186 Ų | 186 | 130.2 Ų | 130.2 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | cis | -161.7 | 148.5 | 48 | -100.2 | -171.4 | -175.2 | -141.5 | -14.5 | 110.4 | ||||
| 572 | Q | 30.4 | Very low | 33.4 | Very low | 138 Ų | 138 | 133.6 Ų | 133.6 | 65% | 0.645 | 79% | 0.793 | S | S | * | * | 41.8 | 132.8 | 104.5 | -65 | 178.9 | -12.2 | 0 | 0 | 116.2 | |||||
| 573 | Y | 31.6 | Very low | 33.6 | Very low | 202 Ų | 202 | 136.1 Ų | 136.1 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | cis | -160.4 | 142.3 | 6.9 | -129.9 | -66.3 | 0 | 0 | 0 | 109.4 | ||||
| 574 | L | 33.9 | Very low | 33.7 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | 177.2 | 143.6 | 145.8 | -98.2 | 170 | 0 | 0 | 0 | 109.1 | ||||
| 575 | P | 43.8 | Very low | 32.9 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | -93.6 | 166.5 | -168.7 | 37.1 | -35.8 | 0 | 0 | 0 | 114.6 | ||||
| 576 | N | 35.1 | Very low | 32.9 | Very low | 174 Ų | 174 | 139.4 Ų | 139.4 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | trans | -136.4 | 149.6 | 170.8 | -174.2 | 21.1 | 0 | 0 | 0 | 109.6 | ||||
| 577 | G | 32.8 | Very low | 33.1 | Very low | 70 Ų | 70 | 143.3 Ų | 143.3 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | trans | 138 | 136.9 | -178 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 578 | G | 31 | Very low | 33.1 | Very low | 77 Ų | 77 | 143.2 Ų | 143.2 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | cis | -163.5 | -178.7 | -0.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 579 | M | 42 | Very low | 33.4 | Very low | 183 Ų | 183 | 138.6 Ų | 138.6 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | trans | -62.7 | 150.8 | 172.8 | 62.3 | -132.3 | 167.2 | 0 | 0 | 112.3 | ||||
| 580 | D | 31.8 | Very low | 33.5 | Very low | 155 Ų | 155 | 138.5 Ų | 138.5 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | -155.1 | 172.6 | 138.4 | -133 | -35.7 | 0 | 0 | 0 | 114 | ||||
| 581 | T | 31.1 | Very low | 33.7 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 71% | 0.712 | 80% | 0.799 | S | S | * | * | trans | -105.2 | 165.4 | -158.1 | -36.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 582 | M | 33.9 | Very low | 33.7 | Very low | 173 Ų | 173 | 134.7 Ų | 134.7 | 85% | 0.852 | 81% | 0.805 | S | S | * | * | 139.9 | 149 | 127.6 | -155 | 164.3 | -59.2 | 0 | 0 | 115.2 | |||||
| 583 | H | 33.8 | Very low | 34 | Very low | 172 Ų | 172 | 137 Ų | 137 | 80% | 0.796 | 82% | 0.815 | S | S | * | * | trans | -84.4 | 159.2 | 176.5 | -72.9 | -133.9 | 0 | 0 | 0 | 112.1 | ||||
| 584 | M | 33.9 | Very low | 34 | Very low | 158 Ų | 158 | 131.3 Ų | 131.3 | 78% | 0.778 | 82% | 0.819 | S | S | * | * | 164 | 137.8 | 114.6 | -88.3 | -65.8 | -125.2 | 0 | 0 | 113.4 | |||||
| 585 | I | 31.7 | Very low | 33.9 | Very low | 156 Ų | 156 | 127.4 Ų | 127.4 | 80% | 0.8 | 82% | 0.819 | S | S | * | * | trans | 56.1 | 136.2 | 148.7 | -57.7 | 161 | 0 | 0 | 0 | 118.4 | ||||
| 586 | G | 30.3 | Very low | 33.5 | Very low | 66 Ų | 66 | 127.8 Ų | 127.8 | 68% | 0.68 | 82% | 0.824 | S | S | * | * | cis | 158.5 | 160.8 | -9.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 587 | N | 31.9 | Very low | 33.7 | Very low | 167 Ų | 167 | 125 Ų | 125 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | trans | 69.1 | 132.6 | 156.6 | -118.2 | 30 | 0 | 0 | 0 | 124.1 | ||||
| 588 | A | 32.1 | Very low | 33.7 | Very low | 91 Ų | 91 | 127.4 Ų | 127.4 | 75% | 0.752 | 82% | 0.823 | S | S | * | * | trans | 68 | 111.4 | 138.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 589 | A | 36.1 | Very low | 34.1 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 92% | 0.917 | 83% | 0.827 | S | S | * | * | trans | -100.4 | 152.5 | 152.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 590 | G | 34.8 | Very low | 33.7 | Very low | 83 Ų | 83 | 126.1 Ų | 126.1 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | trans | 177.7 | 133.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 591 | G | 33.3 | Very low | 34 | Very low | 78 Ų | 78 | 131 Ų | 131 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | 96.9 | 144.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 592 | Q | 33.5 | Very low | 34.2 | Very low | 175 Ų | 175 | 132.7 Ų | 132.7 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | cis | -157.8 | 135.4 | -2.8 | -163.4 | 172.7 | 65.3 | 0 | 0 | 112.5 | ||||
| 593 | Q | 36.6 | Very low | 34.4 | Very low | 186 Ų | 186 | 134.7 Ų | 134.7 | 87% | 0.869 | 82% | 0.823 | S | S | * | * | trans | 26.4 | 139.3 | 153.6 | -57.8 | 174.1 | 8.6 | 0 | 0 | 123.5 | ||||
| 594 | G | 31 | Very low | 34.4 | Very low | 84 Ų | 84 | 129.4 Ų | 129.4 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | trans | 144.3 | 120.3 | 134.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 595 | G | 31.4 | Very low | 34.4 | Very low | 85 Ų | 85 | 127.4 Ų | 127.4 | 88% | 0.876 | 82% | 0.817 | S | S | * | * | trans | 121.9 | 118.4 | 153.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 596 | S | 35.6 | Very low | 34.6 | Very low | 123 Ų | 123 | 125.3 Ų | 125.3 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -68.8 | 168.7 | 166.7 | 47 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 597 | S | 39.7 | Very low | 35 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | cis | 176.6 | 140.6 | -18.5 | 173.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 598 | C | 32.7 | Very low | 35.3 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 81% | 0.811 | 82% | 0.817 | S | S | * | * | trans | -169.9 | 163.9 | 148.2 | 53.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 599 | D | 39.3 | Very low | 35.3 | Very low | 165 Ų | 165 | 131.2 Ų | 131.2 | 88% | 0.882 | 82% | 0.82 | S | S | * | * | trans | -67.4 | 164.5 | -169.3 | -54.5 | -87 | 0 | 0 | 0 | 116.4 | ||||
| 600 | G | 34.1 | Very low | 35.2 | Very low | 67 Ų | 67 | 130.9 Ų | 130.9 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | cis | 132.6 | 122.8 | -2.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 601 | R | 37.3 | Very low | 35.4 | Very low | 257 Ų | 257 | 134.6 Ų | 134.6 | 97% | 0.97 | 81% | 0.808 | S | S | * | * | trans | -163.6 | 142.6 | 165.5 | -110.3 | 168.3 | -164.9 | -154.1 | 1.4 | 113.1 | ||||
| 602 | Q | 36.1 | Very low | 35.6 | Very low | 153 Ų | 153 | 138.5 Ų | 138.5 | 72% | 0.715 | 81% | 0.805 | S | S | * | * | trans | -80.3 | 167.4 | 176.7 | -62.8 | 152.7 | -51.8 | 0 | 0 | 111.3 | ||||
| 603 | Y | 37.3 | Very low | 35.6 | Very low | 214 Ų | 214 | 137.4 Ų | 137.4 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | cis | -148.7 | 176.1 | -0.8 | -93.8 | -52.5 | 0 | 0 | 0 | 107.5 | ||||
| 604 | G | 33.4 | Very low | 36 | Very low | 61 Ų | 61 | 138.7 Ų | 138.7 | 63% | 0.629 | 82% | 0.822 | S | S | * | * | cis | 148 | 111.3 | -5.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 605 | S | 33.3 | Very low | 36.2 | Very low | 117 Ų | 117 | 141.5 Ų | 141.5 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | 66.7 | 132.5 | 176.7 | -56.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 606 | S | 35.8 | Very low | 36.5 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | cis | 74.4 | 136.8 | 43.2 | 87.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 607 | S | 38.8 | Very low | 36.5 | Very low | 115 Ų | 115 | 145.6 Ų | 145.6 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | cis | -147.7 | -175 | 40.2 | -162.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 608 | Q | 39.1 | Very low | 36.3 | Very low | 166 Ų | 166 | 147.3 Ų | 147.3 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | -78.7 | 177.2 | 171.9 | -58.3 | 174.9 | -13 | 0 | 0 | 110.7 | ||||
| 609 | M | 32.7 | Very low | 36.5 | Very low | 167 Ų | 167 | 149 Ų | 149 | 82% | 0.823 | 82% | 0.815 | S | S | * | * | cis | -154.8 | 149.1 | 34 | -71.8 | -177.6 | 174.8 | 0 | 0 | 108.8 | ||||
| 610 | S | 34.2 | Very low | 36.4 | Very low | 104 Ų | 104 | 147.9 Ų | 147.9 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | 91.5 | 119.8 | 59 | -154.1 | 0 | 0 | 0 | 0 | 116 | |||||
| 611 | M | 38.3 | Very low | 36.5 | Very low | 161 Ų | 161 | 153.7 Ų | 153.7 | 79% | 0.793 | 82% | 0.819 | S | S | * | * | trans | 73.1 | 124.3 | 150.8 | -74 | -70.7 | -174.9 | 0 | 0 | 124.1 | ||||
| 612 | H | 36.7 | Very low | 36.5 | Very low | 159 Ų | 159 | 145.8 Ų | 145.8 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | 110.1 | 158.8 | 128.8 | -111.1 | 65.9 | 0 | 0 | 0 | 122.6 | |||||
| 613 | M | 33.3 | Very low | 36.5 | Very low | 152 Ų | 152 | 145.2 Ų | 145.2 | 75% | 0.749 | 82% | 0.815 | S | S | * | * | trans | -90.3 | 158.7 | -162.1 | -47.9 | -179.9 | -62.7 | 0 | 0 | 114.3 | ||||
| 614 | V | 45 | Very low | 36.4 | Very low | 214 Ų | 214 | 138.9 Ų | 138.9 | 100% | 1.297 | 81% | 0.812 | S | S | * | * | -129.6 | 0 | 124.1 | -178.7 | 0 | 0 | 0 | 0 | 107.7 |
Retrieved 614 of 614 residues in 111.3 ms
(Link to these results)