| 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 | 32.2 | Very low | 37.4 | Very low | 233 Ų | 233 | 155 Ų | 155 | 100% | 1.148 | 86% | 0.856 | S | S | * | * | 0 | 137.6 | 0 | -73.8 | 169.1 | 163.7 | 0 | 0 | 108 | |||||
| 2 | T | 38.2 | Very low | 37.2 | Very low | 145 Ų | 145 | 152.5 Ų | 152.5 | 89% | 0.89 | 85% | 0.849 | S | S | * | * | trans | 41.2 | 122.3 | 158 | 56.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 3 | G | 31.4 | Very low | 36.6 | Very low | 69 Ų | 69 | 154.5 Ų | 154.5 | 71% | 0.711 | 85% | 0.851 | S | S | * | * | cis | 157.3 | 177.7 | -3.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 4 | K | 38.8 | Very low | 36.1 | Very low | 206 Ų | 206 | 151.7 Ų | 151.7 | 90% | 0.896 | 85% | 0.848 | S | S | * | * | trans | 61 | 114.6 | 166.1 | -55.8 | -178.9 | -179.6 | -178.7 | 0 | 116.5 | ||||
| 5 | L | 39.5 | Very low | 35.7 | Very low | 170 Ų | 170 | 148.5 Ų | 148.5 | 89% | 0.89 | 84% | 0.84 | S | S | * | * | 73.4 | 102.8 | 50.5 | -160.7 | 120.8 | 0 | 0 | 0 | 114.3 | |||||
| 6 | A | 35.5 | Very low | 35.5 | Very low | 97 Ų | 97 | 148.4 Ų | 148.4 | 80% | 0.802 | 84% | 0.835 | S | S | * | * | trans | -169.5 | 128.5 | 151.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 7 | D | 40.7 | Very low | 35.4 | Very low | 153 Ų | 153 | 147.2 Ų | 147.2 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -74 | 157.7 | 176.4 | -57.5 | -77.2 | 0 | 0 | 0 | 113.6 | ||||
| 8 | K | 38.2 | Very low | 35.3 | Very low | 206 Ų | 206 | 147.1 Ų | 147.1 | 90% | 0.896 | 82% | 0.822 | S | S | * | * | trans | -168 | 114.4 | 147.9 | -106.8 | 157.2 | -170.8 | -178.7 | 0 | 111.7 | ||||
| 9 | I | 38.3 | Very low | 35.1 | Very low | 153 Ų | 153 | 145.2 Ų | 145.2 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | -109.2 | 138 | 158 | -58 | 169.5 | 0 | 0 | 0 | 106 | ||||
| 10 | P | 45.4 | Very low | 35.1 | Very low | 124 Ų | 124 | 145.6 Ų | 145.6 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | -133.1 | 170 | 120.4 | 28.7 | -13.2 | 0 | 0 | 0 | 113.1 | |||||
| 11 | L | 33 | Very low | 35.7 | Very low | 149 Ų | 149 | 143.4 Ų | 143.4 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | trans | -89 | 176.4 | -165.1 | -66.1 | 158.5 | 0 | 0 | 0 | 114 | ||||
| 12 | T | 34.9 | Very low | 35.6 | Very low | 125 Ų | 125 | 139.9 Ų | 139.9 | 77% | 0.767 | 79% | 0.791 | S | S | * | * | trans | 75.9 | 120.2 | 159.9 | 73.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 13 | M | 29.6 | Very low | 35.1 | Very low | 179 Ų | 179 | 137.7 Ų | 137.7 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | -173.7 | 148.9 | 89.9 | -88.8 | -65.6 | -83.9 | 0 | 0 | 110.8 | |||||
| 14 | S | 29.8 | Very low | 35 | Very low | 115 Ų | 115 | 142.8 Ų | 142.8 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -84.1 | 147.7 | -179.4 | -49.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 15 | S | 29.7 | Very low | 34.8 | Very low | 103 Ų | 103 | 142.9 Ų | 142.9 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | 152.8 | 169.1 | 130.7 | -162.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 16 | L | 32.5 | Very low | 35.3 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | 78.8 | 92.2 | 178.5 | -50.1 | 178.9 | 0 | 0 | 0 | 114.5 | ||||
| 17 | I | 33.7 | Very low | 35.1 | Very low | 128 Ų | 128 | 142.9 Ų | 142.9 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | 74.6 | 115.5 | 68 | -61.5 | 170.8 | 0 | 0 | 0 | 113.4 | T19 | I17-T19 HydrophobicContact CG2-CG2 4.49Š| |||
| 18 | N | 33.1 | Very low | 34.7 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | trans | -162.1 | 122.1 | 135.3 | -82.8 | -36.8 | 0 | 0 | 0 | 105.4 | ||||
| 19 | T | 31.9 | Very low | 34.3 | Very low | 110 Ų | 110 | 139.7 Ų | 139.7 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | 51.3 | 127.1 | 72.8 | 66.8 | 0 | 0 | 0 | 0 | 111.2 | I17 | I17-T19 HydrophobicContact CG2-CG2 4.49Š| |||
| 20 | I | 35.2 | Very low | 33.9 | Very low | 154 Ų | 154 | 139.2 Ų | 139.2 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | cis | -147 | 153.2 | 36.2 | -74.1 | 176.5 | 0 | 0 | 0 | 110.2 | ||||
| 21 | P | 47.6 | Very low | 33.3 | Very low | 100 Ų | 100 | 138.7 Ų | 138.7 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | trans | -92.6 | 168.1 | 174.8 | 38.3 | -36 | 0 | 0 | 0 | 113.7 | ||||
| 22 | D | 29.7 | Very low | 33.3 | Very low | 159 Ų | 159 | 138.7 Ų | 138.7 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | 175.6 | 127.3 | 118 | -90.1 | -20.4 | 0 | 0 | 0 | 112 | |||||
| 23 | S | 27.9 | Very low | 33 | Very low | 98 Ų | 98 | 137.7 Ų | 137.7 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | trans | -118.6 | 113.5 | 174 | 177.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 24 | L | 29.1 | Very low | 33 | Very low | 176 Ų | 176 | 138.1 Ų | 138.1 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | trans | -79 | 134.1 | 172.8 | -74.3 | 161.2 | 0 | 0 | 0 | 110.8 | ||||
| 25 | Y | 35.1 | Very low | 33 | Very low | 208 Ų | 208 | 139.5 Ų | 139.5 | 82% | 0.816 | 76% | 0.762 | S | S | * | * | trans | -117.4 | 175.2 | 167.4 | -96.9 | -83.4 | 0 | 0 | 0 | 107.2 | ||||
| 26 | P | 49.8 | Very low | 33.2 | Very low | 95 Ų | 95 | 141.3 Ų | 141.3 | 62% | 0.617 | 76% | 0.762 | S | S | * | * | cis | -135.4 | -163 | -0.6 | 25.3 | 1.3 | 0 | 0 | 0 | 114.8 | ||||
| 27 | E | 32.6 | Very low | 32.8 | Very low | 173 Ų | 173 | 143.6 Ų | 143.6 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | trans | 90 | 134 | 158 | -56 | 172.8 | -148.8 | 0 | 0 | 117.5 | ||||
| 28 | E | 32.5 | Very low | 32.7 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | cis | -162.3 | -178.7 | -17.6 | -118.9 | -58.4 | 37.2 | 0 | 0 | 111.6 | ||||
| 29 | D | 29.7 | Very low | 32.3 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 66% | 0.663 | 77% | 0.766 | S | S | * | * | trans | 92.3 | 117.6 | 147.3 | -101.6 | -21.8 | 0 | 0 | 0 | 122.2 | ||||
| 30 | I | 28.2 | Very low | 32.4 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | 77.6 | 132.3 | 145.2 | -55.2 | 157.9 | 0 | 0 | 0 | 119.1 | ||||
| 31 | P | 33.6 | Very low | 32.1 | Very low | 114 Ų | 114 | 144 Ų | 144 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | cis | -137.3 | 178.3 | -35.5 | 39.3 | -19.4 | 0 | 0 | 0 | 114.3 | S33 | P31-S33 PolarHBondContact O-N 3.44Š| ||
| 32 | T | 33.6 | Very low | 31.3 | Very low | 148 Ų | 148 | 144.4 Ų | 144.4 | 91% | 0.908 | 78% | 0.784 | S | S | * | * | trans | -72 | 109.8 | 177.6 | -45.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 33 | S | 29 | Very low | 31.3 | Very low | 104 Ų | 104 | 144.2 Ų | 144.2 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -168.9 | 107.5 | 145.2 | 63.4 | 0 | 0 | 0 | 0 | 113.6 | P31 | P31-S33 PolarHBondContact O-N 3.44Š| ||
| 34 | M | 29.4 | Very low | 31.3 | Very low | 189 Ų | 189 | 147 Ų | 147 | 93% | 0.931 | 79% | 0.788 | S | S | * | * | trans | -161.5 | 87.5 | 156.3 | -102.1 | -70 | -175.7 | 0 | 0 | 108.3 | ||||
| 35 | N | 29.2 | Very low | 31.2 | Very low | 144 Ų | 144 | 147 Ų | 147 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | -150 | 115.7 | 158.9 | -119.1 | -20.2 | 0 | 0 | 0 | 110.9 | ||||
| 36 | I | 33.3 | Very low | 30.8 | Very low | 141 Ų | 141 | 146.7 Ų | 146.7 | 72% | 0.723 | 78% | 0.782 | S | S | * | * | trans | 41.9 | 97.1 | 149.6 | -50.1 | 164.4 | 0 | 0 | 0 | 115.5 | ||||
| 37 | F | 24.1 | Very low | 29.9 | Very low | 194 Ų | 194 | 147.1 Ų | 147.1 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -116.6 | 106.9 | 151.7 | -128.1 | -90.9 | 0 | 0 | 0 | 110.4 | S39 | F37-S39 PolarHBondContact O-N 3.14Š| ||
| 38 | T | 31.9 | Very low | 30.1 | Very low | 128 Ų | 128 | 147.9 Ų | 147.9 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -75.2 | 107 | 163.1 | 46.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 39 | S | 25 | Very low | 30 | Very low | 95 Ų | 95 | 148.1 Ų | 148.1 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | trans | -120 | 110.8 | 167.7 | 49.2 | 0 | 0 | 0 | 0 | 111.2 | F37 E41 | F37-S39 PolarHBondContact O-N 3.14Å; S39-E41 PolarHBondContact O-N 3.16Å | ||
| 40 | T | 34.1 | Very low | 30 | Very low | 139 Ų | 139 | 149.4 Ų | 149.4 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -76.8 | 106.7 | 170.2 | 47.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 41 | E | 28.5 | Very low | 30.4 | Very low | 185 Ų | 185 | 148.2 Ų | 148.2 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -119.2 | 94.6 | 164.5 | -68.9 | -155.9 | 147 | 0 | 0 | 111.1 | S39 | S39-E41 PolarHBondContact O-N 3.16Š| ||
| 42 | S | 30.6 | Very low | 30.2 | Very low | 109 Ų | 109 | 149.5 Ų | 149.5 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | -88.4 | 125.9 | 165.5 | -68.4 | 0 | 0 | 0 | 0 | 109.1 | N44 | S42-N44 PolarHBondContact O-N 2.84Š| ||
| 43 | I | 29.7 | Very low | 30 | Very low | 155 Ų | 155 | 149.9 Ų | 149.9 | 80% | 0.795 | 80% | 0.797 | S | S | * | * | trans | -61.3 | 100.5 | -173 | -61 | 165.6 | 0 | 0 | 0 | 111.2 | H45 | I43-H45 VanDerWaalsContact C-N 3.35Å; I43-H45 HydrophobicContact CG2-CB 4.27Å; I43-H45 PolarHBondContact O-N 3.41Å; I43-H45 VanDerWaalsContact O-N 3.09Å | ||
| 44 | N | 28 | Very low | 30.1 | Very low | 157 Ų | 157 | 153 Ų | 153 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | -77.6 | 82.2 | 167.4 | -89.9 | -31.1 | 0 | 0 | 0 | 109.9 | S42 Y46 | S42-N44 PolarHBondContact O-N 2.84Å; N44-Y46 PolarHBondContact O-N 3.48Å | ||
| 45 | H | 27.7 | Very low | 30.3 | Very low | 174 Ų | 174 | 152.6 Ų | 152.6 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | trans | -80.3 | 65.7 | 173.3 | -146.5 | -46.8 | 0 | 0 | 0 | 111.3 | I43 | I43-H45 VanDerWaalsContact C-N 3.35Å; I43-H45 HydrophobicContact CG2-CB 4.27Å; I43-H45 PolarHBondContact O-N 3.41Å; I43-H45 VanDerWaalsContact O-N 3.09Å | ||
| 46 | Y | 26.3 | Very low | 30.3 | Very low | 202 Ų | 202 | 152.3 Ų | 152.3 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 130.2 | 170.5 | -149.1 | -96.9 | 0 | 0 | 0 | 109.3 | N44 Q48 | N44-Y46 PolarHBondContact O-N 3.48Å; Y46-Q48 PolarHBondContact O-N 3.13Å |
| 47 | S | 31.8 | Very low | 30.3 | Very low | 104 Ų | 104 | 153.9 Ų | 153.9 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 116.4 | -179.1 | -59 | 0 | 0 | 0 | 0 | 110.7 | ||
| 48 | Q | 36 | Very low | 30.4 | Very low | 189 Ų | 189 | 147.3 Ų | 147.3 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 138.3 | 165.7 | -79.9 | 165.1 | -37.5 | 0 | 0 | 109.8 | Y46 | Y46-Q48 PolarHBondContact O-N 3.13Š|
| 49 | M | 31 | Very low | 30.4 | Very low | 172 Ų | 172 | 151 Ų | 151 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 133.5 | 166.3 | -71.7 | -75.4 | -174.2 | 0 | 0 | 108.2 | T51 | M49-T51 PolarHBondContact O-N 3.35Š|
| 50 | N | 29.6 | Very low | 30.4 | Very low | 151 Ų | 151 | 149.7 Ų | 149.7 | 81% | 0.807 | 81% | 0.808 | S | S | * | * | trans | -87.1 | 96 | 175.1 | -161.4 | 41.4 | 0 | 0 | 0 | 108.7 | ||||
| 51 | T | 36.1 | Very low | 30.1 | Very low | 118 Ų | 118 | 148.1 Ų | 148.1 | 72% | 0.724 | 80% | 0.803 | S | S | * | * | trans | -122.9 | 70 | 174 | 52.9 | 0 | 0 | 0 | 0 | 110.1 | M49 | M49-T51 PolarHBondContact O-N 3.35Š| ||
| 52 | D | 29 | Very low | 30.2 | Very low | 142 Ų | 142 | 146.8 Ų | 146.8 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | trans | -150.3 | 101.3 | 164.7 | -85.2 | -46.4 | 0 | 0 | 0 | 108.6 | ||||
| 53 | N | 30.8 | Very low | 30.2 | Very low | 155 Ų | 155 | 149.5 Ų | 149.5 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | -174 | 64.3 | 166 | -102.9 | -26.9 | 0 | 0 | 0 | 110.5 | ||||
| 54 | I | 30.6 | Very low | 30.1 | Very low | 169 Ų | 169 | 148.1 Ų | 148.1 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | -131.8 | 103.9 | 151.8 | -61.4 | -175.7 | 0 | 0 | 0 | 106.4 | D56 | I54-D56 PolarHBondContact O-N 3.39Š| ||
| 55 | M | 33.8 | Very low | 30 | Very low | 181 Ų | 181 | 145.7 Ų | 145.7 | 89% | 0.892 | 79% | 0.789 | S | S | * | * | trans | -78.5 | 118.2 | 164.2 | -75.5 | -121.2 | -82.9 | 0 | 0 | 108.6 | ||||
| 56 | D | 29.2 | Very low | 30.2 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | -7.6 | 119.9 | 149.8 | -168.3 | 15.5 | 0 | 0 | 0 | 117 | I54 | I54-D56 PolarHBondContact O-N 3.39Š| ||
| 57 | L | 33.5 | Very low | 30.2 | Very low | 175 Ų | 175 | 138.9 Ų | 138.9 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | trans | -139.3 | 113.6 | 144.1 | -78.8 | -178 | 0 | 0 | 0 | 107.4 | ||||
| 58 | G | 26 | Very low | 30.2 | Very low | 56 Ų | 56 | 141.3 Ų | 141.3 | 58% | 0.577 | 78% | 0.782 | S | S | * | * | trans | -78.8 | -173.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 59 | M | 30.6 | Very low | 29.8 | Very low | 206 Ų | 206 | 140.9 Ų | 140.9 | 100% | 1.015 | 78% | 0.78 | S | S | * | * | trans | 102.2 | 129 | -165.2 | -67.8 | 178.5 | 157.8 | 0 | 0 | 111.5 | ||||
| 60 | G | 26.4 | Very low | 29.6 | Very low | 66 Ų | 66 | 143.5 Ų | 143.5 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | cis | 163.9 | 143.8 | -2.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 61 | S | 28 | Very low | 29.4 | Very low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | 53.8 | 115.6 | 168.6 | 61.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 62 | E | 30.7 | Very low | 29.1 | Very low | 157 Ų | 157 | 139.3 Ų | 139.3 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | 52.7 | 150.9 | 123.5 | -49.9 | -177.8 | 170.1 | 0 | 0 | 124.1 | |||||
| 63 | K | 28.9 | Very low | 29 | Very low | 166 Ų | 166 | 137.4 Ų | 137.4 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | 99.1 | 94.8 | 153.7 | -69.5 | 156 | -166.3 | 164.5 | 0 | 119.8 | ||||
| 64 | T | 27.9 | Very low | 28.7 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | 33.6 | 131.9 | 116.1 | 60 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 65 | S | 26.5 | Very low | 28.7 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | 87 | 132.9 | 134.7 | -154.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 66 | S | 31.1 | Very low | 28.4 | Very low | 85 Ų | 85 | 135.9 Ų | 135.9 | 59% | 0.594 | 77% | 0.766 | S | S | * | * | trans | 53.8 | 129.2 | 138.5 | 58.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 67 | D | 27.9 | Very low | 28.3 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | 66.1 | 129.1 | 145.3 | -52.4 | -28.5 | 0 | 0 | 0 | 119.5 | ||||
| 68 | I | 30 | Very low | 28.2 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | -171 | 137.2 | 101.4 | -93.6 | 159.6 | 0 | 0 | 0 | 109.9 | Y70 | I68-Y70 HydrophobicContact CG2-CD2 4.45Š| |||
| 69 | Q | 27.8 | Very low | 28.3 | Very low | 180 Ų | 180 | 140.7 Ų | 140.7 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | trans | -72.9 | 146.5 | 170.2 | -59.6 | 157.1 | -68.7 | 0 | 0 | 110.2 | ||||
| 70 | Y | 28.2 | Very low | 28.2 | Very low | 227 Ų | 227 | 134.2 Ų | 134.2 | 89% | 0.89 | 76% | 0.759 | S | S | * | * | trans | -135.1 | 112.8 | 141.1 | -113.7 | -84.3 | 0 | 0 | 0 | 109.8 | I68 | I68-Y70 HydrophobicContact CG2-CD2 4.45Š| ||
| 71 | G | 24.7 | Very low | 28.4 | Very low | 57 Ų | 57 | 140 Ų | 140 | 59% | 0.588 | 77% | 0.768 | S | S | * | * | trans | -84.7 | 161.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 72 | S | 29.9 | Very low | 28.4 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -146.7 | 91.9 | 158.6 | -73.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 73 | S | 27.6 | Very low | 28.5 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | -70.2 | 143.7 | 177.7 | -61.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 74 | F | 24.6 | Very low | 28.4 | Very low | 216 Ų | 216 | 137.9 Ų | 137.9 | 95% | 0.947 | 78% | 0.775 | S | S | * | * | trans | -137.3 | 94.1 | 141.1 | -108.9 | -81.6 | 0 | 0 | 0 | 110.2 | ||||
| 75 | Q | 30.1 | Very low | 28.3 | Very low | 166 Ų | 166 | 142 Ų | 142 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -74.7 | 161.4 | 153.1 | -74.2 | -179.9 | 0.9 | 0 | 0 | 107.8 | ||||
| 76 | S | 27.5 | Very low | 28.5 | Very low | 92 Ų | 92 | 144.9 Ų | 144.9 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | cis | -160.3 | -171 | -6 | 52.3 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 77 | N | 27.5 | Very low | 28.2 | Very low | 125 Ų | 125 | 143.9 Ų | 143.9 | 67% | 0.668 | 79% | 0.787 | S | S | * | * | cis | -170.6 | 148.4 | 31.4 | -134.8 | -19 | 0 | 0 | 0 | 112.7 | ||||
| 78 | R | 30.1 | Very low | 28.4 | Very low | 219 Ų | 219 | 146.6 Ų | 146.6 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | 33.6 | 118.6 | 147.2 | -70 | 167.6 | -173.7 | -144.1 | -1.5 | 121.8 | ||||
| 79 | S | 29.5 | Very low | 28.2 | Very low | 125 Ų | 125 | 148.1 Ų | 148.1 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | -179.3 | 145.6 | 98.8 | 37.7 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 80 | G | 28.4 | Very low | 28.2 | Very low | 70 Ų | 70 | 143.6 Ų | 143.6 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | cis | 124.8 | 73 | 20.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 81 | Q | 29.7 | Very low | 28.1 | Very low | 188 Ų | 188 | 142.4 Ų | 142.4 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -162.2 | 129.6 | 166.7 | -114.2 | 167.6 | 41.1 | 0 | 0 | 112.4 | ||||
| 82 | T | 27.8 | Very low | 28.2 | Very low | 141 Ų | 141 | 146.6 Ų | 146.6 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | trans | -91.1 | 124.3 | 167.6 | 47 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 83 | V | 32.9 | Very low | 28.4 | Very low | 108 Ų | 108 | 146.9 Ų | 146.9 | 66% | 0.655 | 79% | 0.792 | S | S | * | * | trans | -137.5 | 113.4 | 166.4 | -177.8 | 0 | 0 | 0 | 0 | 109.7 | Y85 | V83-Y85 HydrophobicContact CG1-CD2 3.9Å; V83-Y85 HydrophobicContact CG1-CE2 4.47Å | ||
| 84 | T | 27.8 | Very low | 28.8 | Very low | 136 Ų | 136 | 147.5 Ų | 147.5 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | -74.8 | 128.7 | 167.2 | -49.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 85 | Y | 25.7 | Very low | 29.5 | Very low | 212 Ų | 212 | 142.6 Ų | 142.6 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | trans | -135.4 | 120.8 | 163.7 | -116.6 | -90.9 | 0 | 0 | 0 | 111.5 | V83 | V83-Y85 HydrophobicContact CG1-CD2 3.9Å; V83-Y85 HydrophobicContact CG1-CE2 4.47Å | ||
| 86 | L | 29.5 | Very low | 29.9 | Very low | 168 Ų | 168 | 140.8 Ų | 140.8 | 88% | 0.88 | 79% | 0.789 | S | S | * | * | trans | -72.3 | 131.3 | 164.1 | -82.8 | 154 | 0 | 0 | 0 | 108.6 | ||||
| 87 | G | 26.4 | Very low | 29.9 | Very low | 63 Ų | 63 | 139.4 Ų | 139.4 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | trans | -146.6 | 82.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | F89 | G87-F89 PolarHBondContact O-N 3.14Š| ||
| 88 | K | 30.8 | Very low | 30.1 | Very low | 205 Ų | 205 | 137.6 Ų | 137.6 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | trans | -66.6 | 123.6 | 158.6 | -80.9 | 178.9 | 174.1 | 177.3 | 0 | 107.7 | ||||
| 89 | F | 26.2 | Very low | 30.2 | Very low | 186 Ų | 186 | 135 Ų | 135 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | trans | -129.9 | 120.3 | 156.7 | -83.9 | -80.3 | 0 | 0 | 0 | 109.6 | G87 | G87-F89 PolarHBondContact O-N 3.14Š| ||
| 90 | A | 27.4 | Very low | 30.5 | Very low | 85 Ų | 85 | 133.2 Ų | 133.2 | 70% | 0.702 | 80% | 0.803 | S | S | * | * | trans | -65.9 | 149.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 91 | F | 26.3 | Very low | 30.4 | Very low | 202 Ų | 202 | 133.4 Ų | 133.4 | 89% | 0.886 | 81% | 0.805 | S | S | * | * | trans | -107.9 | 114 | 165.7 | -97.7 | -83.8 | 0 | 0 | 0 | 108.9 | ||||
| 92 | D | 26.2 | Very low | 30.6 | Very low | 145 Ų | 145 | 130 Ų | 130 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | trans | -64.5 | 133.6 | 170.9 | -61.4 | -64.4 | 0 | 0 | 0 | 110.7 | ||||
| 93 | T | 33.8 | Very low | 30.6 | Very low | 132 Ų | 132 | 126.6 Ų | 126.6 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -67.9 | 137 | 144 | 47 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 94 | P | 36.7 | Very low | 30.2 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | -152.3 | -154.5 | 67.3 | 44.7 | -23.8 | 0 | 0 | 0 | 111.3 | |||||
| 95 | P | 39.4 | Very low | 30.3 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | cis | -127.1 | 167.7 | -12 | 38.5 | -22.6 | 0 | 0 | 0 | 115.8 | G97 | P95-G97 PolarHBondContact O-N 3.42Š| ||
| 96 | S | 39.3 | Very low | 30.6 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | -65.6 | 106.4 | 164.9 | 50.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 97 | G | 27.3 | Very low | 30.7 | Very low | 64 Ų | 64 | 126.4 Ų | 126.4 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | trans | -114.4 | 104.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | P95 I99 | P95-G97 PolarHBondContact O-N 3.42Å; G97-I99 PolarHBondContact O-N 2.75Å | ||
| 98 | G | 31.5 | Very low | 31.1 | Very low | 87 Ų | 87 | 130.8 Ų | 130.8 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | trans | -73.8 | 121.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 99 | I | 31.4 | Very low | 31.1 | Very low | 165 Ų | 165 | 127.3 Ų | 127.3 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -133.7 | 119.3 | 170.7 | -24.7 | 177.6 | 0 | 0 | 0 | 108.5 | G97 G101 | G97-I99 PolarHBondContact O-N 2.75Å; I99-G101 PolarHBondContact O-N 3.48Å | ||
| 100 | G | 36.1 | Very low | 31.5 | Very low | 87 Ų | 87 | 126.4 Ų | 126.4 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | -70.4 | 124.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 101 | G | 27.1 | Very low | 31.6 | Very low | 74 Ų | 74 | 129.4 Ų | 129.4 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | -139.7 | 116.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | I99 G103 | I99-G101 PolarHBondContact O-N 3.48Å; G101-G103 PolarHBondContact O-N 3.26Å; G101-G103 VanDerWaalsContact O-N 3.09Å | ||
| 102 | S | 34.1 | Very low | 31.7 | Very low | 115 Ų | 115 | 124 Ų | 124 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -71.3 | 98.4 | -171.5 | 43.4 | 0 | 0 | 0 | 0 | 113.7 | W104 | S102-W104 PolarHBondContact O-N 3.18Š| ||
| 103 | G | 26.6 | Very low | 31.9 | Very low | 71 Ų | 71 | 126 Ų | 126 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | trans | -90 | 86.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G101 C105 | G101-G103 PolarHBondContact O-N 3.26Å; G101-G103 VanDerWaalsContact O-N 3.09Å; G103-C105 PolarHBondContact O-N 3.26Å | ||
| 104 | W | 24.8 | Very low | 31.6 | Very low | 239 Ų | 239 | 125.1 Ų | 125.1 | 91% | 0.905 | 79% | 0.792 | S | S | * | * | trans | -33.6 | 115 | 179.9 | -70.7 | 27.6 | 0 | 0 | 0 | 117.1 | S102 P106 | S102-W104 PolarHBondContact O-N 3.18Å; W104-P106 WeakPolarHBondContact O-CD 3.46Å | ||
| 105 | C | 29.9 | Very low | 31.1 | Very low | 109 Ų | 109 | 125.1 Ų | 125.1 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | trans | -79.6 | 121.8 | 159.7 | -65.8 | 0 | 0 | 0 | 0 | 110.4 | G103 D107 | G103-C105 PolarHBondContact O-N 3.26Å; C105-D107 VanDerWaalsContact C-N 3.33Å; C105-D107 PolarHBondContact O-N 3.03Å | ||
| 106 | P | 31.9 | Very low | 30.5 | Very low | 123 Ų | 123 | 124.6 Ų | 124.6 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | trans | -91 | 59.9 | 177.4 | 37.6 | -35 | 0 | 0 | 0 | 111.9 | W104 | W104-P106 WeakPolarHBondContact O-CD 3.46Š| ||
| 107 | D | 32.1 | Very low | 29.9 | Very low | 149 Ų | 149 | 121.9 Ų | 121.9 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | -129.3 | 50.6 | 174 | -83 | -45.2 | 0 | 0 | 0 | 111.1 | C105 N109 | C105-D107 VanDerWaalsContact C-N 3.33Å; C105-D107 PolarHBondContact O-N 3.03Å; D107-N109 PolarHBondContact O-N 3.17Å | ||
| 108 | N | 33.9 | Very low | 30.1 | Very low | 155 Ų | 155 | 126.4 Ų | 126.4 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | -83.1 | 110.7 | 172 | -84.9 | 4.4 | 0 | 0 | 0 | 111.3 | ||||
| 109 | N | 30.5 | Very low | 29.9 | Very low | 131 Ų | 131 | 130.4 Ų | 130.4 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | -161.3 | 79.2 | 128.2 | -126.6 | -25.6 | 0 | 0 | 0 | 113.2 | D107 | D107-N109 PolarHBondContact O-N 3.17Š| |||
| 110 | I | 34.7 | Very low | 29.7 | Very low | 168 Ų | 168 | 126.4 Ų | 126.4 | 86% | 0.862 | 80% | 0.799 | S | S | * | * | trans | -133.1 | 128.4 | 146.2 | -57.6 | -69.8 | 0 | 0 | 0 | 105 | ||||
| 111 | I | 31 | Very low | 29.5 | Very low | 148 Ų | 148 | 129.3 Ų | 129.3 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | trans | -89.7 | 141.8 | 179.6 | -70.6 | 176.2 | 0 | 0 | 0 | 109.5 | ||||
| 112 | S | 27.5 | Very low | 29.7 | Very low | 89 Ų | 89 | 131.1 Ų | 131.1 | 62% | 0.622 | 80% | 0.8 | S | S | * | * | trans | -66.5 | 161.5 | -175 | -42 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 113 | L | 30.2 | Very low | 29.7 | Very low | 185 Ų | 185 | 131.6 Ų | 131.6 | 97% | 0.969 | 80% | 0.801 | S | S | * | * | -122.8 | 153.1 | 129.6 | -87.2 | 173 | 0 | 0 | 0 | 109.9 | |||||
| 114 | V | 26.9 | Very low | 30 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | trans | -133.8 | 131.3 | -161.8 | 170.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 115 | S | 27.3 | Very low | 30.9 | Very low | 115 Ų | 115 | 128.8 Ų | 128.8 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | 178.6 | 111.5 | 150.1 | 48.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 116 | A | 27.7 | Very low | 30.9 | Very low | 101 Ų | 101 | 126.9 Ų | 126.9 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | cis | 84.4 | 126 | 40 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 117 | G | 26.3 | Very low | 30.8 | Very low | 71 Ų | 71 | 127.4 Ų | 127.4 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | trans | 121.2 | 78.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 118 | I | 30.3 | Very low | 30.6 | Very low | 159 Ų | 159 | 126.2 Ų | 126.2 | 82% | 0.815 | 80% | 0.8 | S | S | * | * | 65.9 | 101.2 | 72 | -56.8 | -173.8 | 0 | 0 | 0 | 114.4 | |||||
| 119 | L | 28.9 | Very low | 30.4 | Very low | 170 Ų | 170 | 124.2 Ų | 124.2 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | trans | 25.3 | 125.8 | 140.2 | -54.4 | 175.5 | 0 | 0 | 0 | 120.4 | ||||
| 120 | G | 26.7 | Very low | 30.2 | Very low | 81 Ų | 81 | 123.6 Ų | 123.6 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | -146.3 | 128.8 | 156.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 121 | V | 30.5 | Very low | 30 | Very low | 148 Ų | 148 | 124.6 Ų | 124.6 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | trans | -88.8 | 165.3 | -174.8 | -75.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 122 | S | 31.8 | Very low | 29.9 | Very low | 112 Ų | 112 | 123.9 Ų | 123.9 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | -54.3 | 166.4 | -177.3 | -39.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 123 | P | 34.4 | Very low | 31 | Very low | 126 Ų | 126 | 124.8 Ų | 124.8 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | -137.1 | 155.1 | 124.2 | 37.3 | -26.9 | 0 | 0 | 0 | 115.1 | |||||
| 124 | S | 32.9 | Very low | 31 | Very low | 117 Ų | 117 | 121 Ų | 121 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -94 | 161.1 | 165.3 | -65.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 125 | P | 44.8 | Very low | 31.3 | Very low | 134 Ų | 134 | 120.7 Ų | 120.7 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | trans | -96.3 | 160.1 | -169.1 | 37.2 | -35.4 | 0 | 0 | 0 | 114.8 | ||||
| 126 | G | 29.5 | Very low | 31.5 | Very low | 68 Ų | 68 | 120.1 Ų | 120.1 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | 177.9 | 100 | 169.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 127 | T | 28.2 | Very low | 31.6 | Very low | 134 Ų | 134 | 119.3 Ų | 119.3 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | 61.5 | 113.9 | 144.7 | 36.4 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 128 | V | 29.1 | Very low | 31.9 | Very low | 124 Ų | 124 | 121 Ų | 121 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | 55.9 | 121.1 | 121.1 | -176.3 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 129 | T | 28.8 | Very low | 32.2 | Very low | 114 Ų | 114 | 122.1 Ų | 122.1 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | -174.2 | 131.9 | 73.7 | -31.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 130 | T | 27.7 | Very low | 32.2 | Very low | 117 Ų | 117 | 118 Ų | 118 | 72% | 0.718 | 79% | 0.793 | S | S | * | * | trans | 36.3 | 147.8 | 148.6 | 66.4 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 131 | Q | 30.4 | Very low | 32.4 | Very low | 190 Ų | 190 | 117.4 Ų | 117.4 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | 108 | 129 | 148 | -51.3 | -158.6 | 64.7 | 0 | 0 | 119 | ||||
| 132 | T | 28.3 | Very low | 32.5 | Very low | 133 Ų | 133 | 119.8 Ų | 119.8 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | trans | -105.1 | -169.4 | -177.7 | 55.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 133 | P | 50.6 | Low | 32.5 | Very low | 107 Ų | 107 | 119.5 Ų | 119.5 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | cis | -126.7 | 177.7 | -20.3 | 27.5 | -7 | 0 | 0 | 0 | 113 | ||||
| 134 | S | 30.8 | Very low | 32.4 | Very low | 105 Ų | 105 | 117.8 Ų | 117.8 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | 172.4 | 135.7 | 118.4 | -76.5 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 135 | S | 32.9 | Very low | 32.3 | Very low | 109 Ų | 109 | 119.6 Ų | 119.6 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | 62 | 120.9 | 143.8 | 60.1 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 136 | A | 30.4 | Very low | 31.9 | Very low | 102 Ų | 102 | 121.2 Ų | 121.2 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | 71.6 | 138.4 | 137.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 137 | A | 30.1 | Very low | 32.1 | Very low | 84 Ų | 84 | 126 Ų | 126 | 69% | 0.694 | 78% | 0.78 | S | S | * | * | cis | -163.1 | 160.7 | -10.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 138 | S | 32.5 | Very low | 32.2 | Very low | 108 Ų | 108 | 128 Ų | 128 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | 38 | 136.5 | 138.4 | -64.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 139 | M | 36.5 | Very low | 32.3 | Very low | 181 Ų | 181 | 126.9 Ų | 126.9 | 89% | 0.892 | 77% | 0.773 | S | S | * | * | cis | -145.4 | 155.8 | -1 | -52.5 | -167.7 | -168.3 | 0 | 0 | 107.8 | ||||
| 140 | G | 30.1 | Very low | 32.5 | Very low | 83 Ų | 83 | 132.3 Ų | 132.3 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | 90.7 | 130.8 | 70.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 141 | G | 29.9 | Very low | 32.8 | Very low | 69 Ų | 69 | 129.9 Ų | 129.9 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | cis | -141.7 | 166.5 | -4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 142 | Q | 32.1 | Very low | 33.2 | Very low | 198 Ų | 198 | 126.8 Ų | 126.8 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | 53 | 135.8 | 83.9 | -61.4 | -174.1 | 9.8 | 0 | 0 | 114.1 | |||||
| 143 | S | 32 | Very low | 33.7 | Very low | 106 Ų | 106 | 126 Ų | 126 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | cis | -156.9 | 174 | -8.5 | 48.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 144 | S | 33.5 | Very low | 32.7 | Very low | 91 Ų | 91 | 128.8 Ų | 128.8 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | cis | -175.5 | 136.7 | 42.4 | 45.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 145 | D | 30 | Very low | 33.7 | Very low | 154 Ų | 154 | 129.1 Ų | 129.1 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | 49.2 | 118.7 | 122.6 | -45.4 | -46.9 | 0 | 0 | 0 | 122.6 | |||||
| 146 | M | 36.6 | Very low | 33.4 | Very low | 169 Ų | 169 | 128.5 Ų | 128.5 | 83% | 0.833 | 78% | 0.783 | S | S | * | * | -155.9 | 119.4 | 127.9 | -170.3 | 167.6 | 176.1 | 0 | 0 | 111.1 | |||||
| 147 | E | 33.1 | Very low | 33.3 | Very low | 167 Ų | 167 | 133.4 Ų | 133.4 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | trans | -84.4 | 148 | 171.3 | -69.3 | -178.7 | 91.1 | 0 | 0 | 112.4 | ||||
| 148 | Q | 31.3 | Very low | 33.2 | Very low | 177 Ų | 177 | 133.9 Ų | 133.9 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | -175.9 | 106.7 | 136.5 | -100.9 | 161.2 | 21.6 | 0 | 0 | 108.4 | ||||
| 149 | V | 31 | Very low | 33 | Very low | 100 Ų | 100 | 135.1 Ų | 135.1 | 61% | 0.606 | 78% | 0.783 | S | S | * | * | 79.6 | 95.3 | 68.9 | 176.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 150 | Y | 32.7 | Very low | 32.4 | Very low | 229 Ų | 229 | 131.7 Ų | 131.7 | 90% | 0.898 | 78% | 0.775 | S | S | * | * | trans | 160.6 | 130.8 | 132 | -93.5 | -69.3 | 0 | 0 | 0 | 110.2 | ||||
| 151 | G | 33.1 | Very low | 32.4 | Very low | 65 Ų | 65 | 132.6 Ų | 132.6 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | trans | -110.6 | -151 | 169 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 152 | P | 40.5 | Very low | 32.4 | Very low | 125 Ų | 125 | 136 Ų | 136 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | cis | -112.2 | 168 | -49.8 | 38.9 | -29.2 | 0 | 0 | 0 | 111.4 | ||||
| 153 | P | 38.1 | Very low | 32.3 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | trans | -92.7 | 156.2 | 170.8 | 36.2 | -32.8 | 0 | 0 | 0 | 113 | ||||
| 154 | L | 30.4 | Very low | 32 | Very low | 165 Ų | 165 | 137.6 Ų | 137.6 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | trans | 137.6 | 159.6 | 161 | -81.6 | -168.8 | 0 | 0 | 0 | 112 | ||||
| 155 | P | 50.3 | Low | 32.3 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | cis | -137.6 | -166.6 | -21 | 36.9 | -16.7 | 0 | 0 | 0 | 115 | ||||
| 156 | A | 27.4 | Very low | 32.2 | Very low | 95 Ų | 95 | 140.9 Ų | 140.9 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | 81.7 | 138 | 165.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 157 | Y | 28.2 | Very low | 32.4 | Very low | 206 Ų | 206 | 140.8 Ų | 140.8 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | cis | -142.9 | 129.8 | 26.9 | 58.7 | -89.5 | 0 | 0 | 0 | 111.5 | ||||
| 158 | S | 27.3 | Very low | 32.3 | Very low | 93 Ų | 93 | 139.6 Ų | 139.6 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | 61.4 | 134.2 | 104.9 | 78.5 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 159 | T | 29 | Very low | 32.3 | Very low | 135 Ų | 135 | 135.4 Ų | 135.4 | 83% | 0.828 | 76% | 0.76 | S | S | * | * | cis | -167.8 | 168.2 | -4 | 12.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 160 | C | 24.7 | Very low | 32.3 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 73% | 0.73 | 77% | 0.77 | S | S | * | * | trans | -8.2 | 142.1 | 162.1 | -68 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 161 | S | 29.3 | Very low | 32.1 | Very low | 103 Ų | 103 | 135.8 Ų | 135.8 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | 52.6 | 135.3 | 83.3 | -36.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 162 | D | 30 | Very low | 31.8 | Very low | 139 Ų | 139 | 141 Ų | 141 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | cis | -172.4 | 176.4 | 34.4 | -141.7 | -29.2 | 0 | 0 | 0 | 112.2 | ||||
| 163 | L | 29.2 | Very low | 31.2 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | trans | 78.8 | 129.9 | 153.6 | -62.8 | 161.6 | 0 | 0 | 0 | 124.3 | ||||
| 164 | Y | 27.6 | Very low | 31.9 | Very low | 198 Ų | 198 | 140.1 Ų | 140.1 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | 95.4 | 135.5 | 135.7 | -102.2 | -106.2 | 0 | 0 | 0 | 124.5 | ||||
| 165 | Q | 38.1 | Very low | 31.8 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | -77.7 | 155.8 | 168.1 | -63.2 | 151.2 | -93.9 | 0 | 0 | 110.3 | ||||
| 166 | D | 29.4 | Very low | 30.9 | Very low | 154 Ų | 154 | 138.2 Ų | 138.2 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | -165.4 | 167.4 | 108.3 | -125.2 | -32.7 | 0 | 0 | 0 | 115.8 | |||||
| 167 | Q | 40.4 | Very low | 31 | Very low | 166 Ų | 166 | 139.2 Ų | 139.2 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | -88.6 | 137.2 | 174.7 | -69.3 | -100.4 | -31.7 | 0 | 0 | 112.3 | ||||
| 168 | V | 29.6 | Very low | 31.1 | Very low | 143 Ų | 143 | 136.3 Ų | 136.3 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | trans | -148.4 | 128.7 | 153.9 | -174.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 169 | S | 32.7 | Very low | 31.3 | Very low | 89 Ų | 89 | 136 Ų | 136 | 62% | 0.622 | 78% | 0.775 | S | S | * | * | trans | -92.5 | 154.3 | 165.8 | -55.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 170 | F | 29.7 | Very low | 31.4 | Very low | 186 Ų | 186 | 138.1 Ų | 138.1 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | trans | 173.6 | 153.7 | 130.2 | -102.2 | -66.1 | 0 | 0 | 0 | 117.2 | ||||
| 171 | H | 28.5 | Very low | 31.6 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | 69.2 | 106 | 150 | -79.4 | -66.5 | 0 | 0 | 0 | 124.7 | ||||
| 172 | H | 27.1 | Very low | 31.6 | Very low | 173 Ų | 173 | 142.4 Ų | 142.4 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | 30.1 | 121.3 | 124.5 | -80.4 | 69.2 | 0 | 0 | 0 | 122.1 | |||||
| 173 | S | 29.2 | Very low | 32.6 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | 28.3 | 158 | 122.4 | -113.4 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 174 | P | 52.3 | Low | 32.7 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | cis | -144.6 | 178.1 | 11.7 | 41.7 | -21.6 | 0 | 0 | 0 | 118.5 | ||||
| 175 | A | 28.9 | Very low | 32.8 | Very low | 87 Ų | 87 | 136.7 Ų | 136.7 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | trans | 59.9 | 126.2 | 145 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 176 | T | 30 | Very low | 32.6 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 93% | 0.926 | 79% | 0.788 | S | S | * | * | -164 | 147.7 | 111.8 | 11.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 177 | S | 29.8 | Very low | 32.6 | Very low | 116 Ų | 116 | 140 Ų | 140 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | -98.9 | 146.4 | -175 | -45 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 178 | T | 31.3 | Very low | 32.2 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | trans | -147.5 | 133.8 | 141.4 | -48.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 179 | A | 30.8 | Very low | 32.4 | Very low | 87 Ų | 87 | 137.2 Ų | 137.2 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | trans | -105.3 | 151.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 180 | L | 30.7 | Very low | 32.3 | Very low | 179 Ų | 179 | 138.7 Ų | 138.7 | 94% | 0.937 | 78% | 0.783 | S | S | * | * | trans | -139 | 153.2 | 154.8 | -76.4 | -178.2 | 0 | 0 | 0 | 109.1 | ||||
| 181 | A | 28.6 | Very low | 32.5 | Very low | 79 Ų | 79 | 134.5 Ų | 134.5 | 65% | 0.653 | 78% | 0.777 | S | S | * | * | trans | -141.1 | 141.7 | -149.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 182 | Y | 29.2 | Very low | 32.7 | Very low | 221 Ų | 221 | 136.9 Ų | 136.9 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | trans | 57.4 | 174 | 152.7 | -71.2 | -62.2 | 0 | 0 | 0 | 118.8 | ||||
| 183 | P | 51.7 | Low | 32.9 | Very low | 128 Ų | 128 | 132.9 Ų | 132.9 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | cis | -113.6 | 179.6 | -9.5 | 31.8 | -13 | 0 | 0 | 0 | 112.3 | ||||
| 184 | G | 32.1 | Very low | 34 | Very low | 56 Ų | 56 | 132.4 Ų | 132.4 | 58% | 0.577 | 78% | 0.776 | S | S | * | * | cis | 151.6 | 150.8 | -2.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 185 | N | 29.6 | Very low | 33 | Very low | 175 Ų | 175 | 135.1 Ų | 135.1 | 94% | 0.936 | 78% | 0.781 | S | S | * | * | trans | -174.5 | 139.6 | 143.2 | -100 | 0.4 | 0 | 0 | 0 | 110.5 | ||||
| 186 | E | 32.6 | Very low | 33.1 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -94.7 | 169.1 | -170.8 | -56.7 | 170.7 | 118 | 0 | 0 | 111.6 | ||||
| 187 | Y | 30.1 | Very low | 33.1 | Very low | 221 Ų | 221 | 135.1 Ų | 135.1 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | -166.9 | 132.9 | 113.4 | -95.1 | -64.3 | 0 | 0 | 0 | 111.5 | |||||
| 188 | H | 32.8 | Very low | 33.4 | Very low | 158 Ų | 158 | 134.6 Ų | 134.6 | 73% | 0.731 | 78% | 0.778 | S | S | * | * | trans | -20.7 | 166.4 | 167.2 | -72.9 | -74 | 0 | 0 | 0 | 120.3 | ||||
| 189 | S | 32.4 | Very low | 33.3 | Very low | 92 Ų | 92 | 134.7 Ų | 134.7 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | cis | 176.1 | 164.3 | -22 | -85.4 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 190 | T | 30.1 | Very low | 33.3 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 73% | 0.73 | 78% | 0.776 | S | S | * | * | -169.9 | 135.4 | 55.9 | 45.1 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 191 | S | 33.9 | Very low | 33.1 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | 54.9 | 138.5 | 108.8 | 102.1 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 192 | K | 32.7 | Very low | 33.3 | Very low | 200 Ų | 200 | 140 Ų | 140 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | cis | -165.9 | 158.5 | 24.6 | -131.2 | 158.7 | -175.6 | 176.3 | 0 | 111 | ||||
| 193 | A | 32.8 | Very low | 33.6 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | -85.3 | -159.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 194 | P | 51.8 | Low | 33.3 | Very low | 104 Ų | 104 | 136.1 Ų | 136.1 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | cis | -151.8 | -166.8 | 8.9 | 33.8 | -5.5 | 0 | 0 | 0 | 118.6 | ||||
| 195 | M | 31.5 | Very low | 33.4 | Very low | 168 Ų | 168 | 139.8 Ų | 139.8 | 83% | 0.828 | 77% | 0.773 | S | S | * | * | trans | 85.1 | 114 | 152.7 | -53.5 | -44.7 | 175.5 | 0 | 0 | 124.1 | ||||
| 196 | D | 30.6 | Very low | 33.4 | Very low | 161 Ų | 161 | 141.8 Ų | 141.8 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | 22 | 142 | 123.2 | -157.2 | 0.7 | 0 | 0 | 0 | 122.3 | |||||
| 197 | G | 29.4 | Very low | 33.5 | Very low | 77 Ų | 77 | 140.7 Ų | 140.7 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | 167.5 | 82.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 198 | S | 36.2 | Very low | 33.5 | Very low | 105 Ų | 105 | 137.1 Ų | 137.1 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | -77.1 | 151.8 | -178.7 | 177.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 199 | L | 28.9 | Very low | 33.4 | Very low | 148 Ų | 148 | 138.2 Ų | 138.2 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | trans | -168.2 | 139.7 | 146.9 | -126.9 | 77.9 | 0 | 0 | 0 | 114.9 | ||||
| 200 | F | 30.6 | Very low | 33.7 | Very low | 182 Ų | 182 | 141.9 Ų | 141.9 | 80% | 0.798 | 77% | 0.774 | S | S | * | * | trans | 61 | 147.4 | 165.6 | -79.8 | -109.6 | 0 | 0 | 0 | 120.6 | ||||
| 201 | S | 28.5 | Very low | 33.7 | Very low | 103 Ų | 103 | 144 Ų | 144 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | cis | -168.5 | 161.9 | -23.3 | 53.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 202 | M | 30.9 | Very low | 33.6 | Very low | 171 Ų | 171 | 147.1 Ų | 147.1 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | trans | -53.6 | 134.8 | -172.5 | -63.4 | 162.2 | 175.7 | 0 | 0 | 119.6 | ||||
| 203 | I | 35.7 | Very low | 33.5 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | 38.3 | 132.3 | 107.9 | -49.6 | 167.9 | 0 | 0 | 0 | 116.2 | |||||
| 204 | P | 46.5 | Very low | 33.4 | Very low | 121 Ų | 121 | 146.3 Ų | 146.3 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | -154.9 | 177.4 | 63.6 | 43 | -21.1 | 0 | 0 | 0 | 121.2 | |||||
| 205 | D | 33.8 | Very low | 32.8 | Very low | 133 Ų | 133 | 148.3 Ų | 148.3 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -68.5 | 159 | 175.8 | -49.7 | -88.3 | 0 | 0 | 0 | 116 | ||||
| 206 | Y | 29.9 | Very low | 32.7 | Very low | 217 Ų | 217 | 143.8 Ų | 143.8 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | 172.2 | 163.8 | 113.1 | -103.8 | -84.2 | 0 | 0 | 0 | 112.6 | |||||
| 207 | N | 33.8 | Very low | 32.8 | Very low | 141 Ų | 141 | 142.2 Ų | 142.2 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | -53 | 164.7 | -177.5 | -58.9 | -65 | 0 | 0 | 0 | 116 | ||||
| 208 | L | 30.8 | Very low | 32.9 | Very low | 146 Ų | 146 | 146.7 Ų | 146.7 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | 168.9 | 144.8 | 110 | -170.6 | 62.2 | 0 | 0 | 0 | 116.4 | |||||
| 209 | F | 30.8 | Very low | 32.7 | Very low | 181 Ų | 181 | 150 Ų | 150 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | 79.2 | 131.9 | 158.4 | -89.2 | -54.5 | 0 | 0 | 0 | 125.4 | ||||
| 210 | H | 37.6 | Very low | 33 | Very low | 169 Ų | 169 | 151.5 Ų | 151.5 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | trans | -61.8 | 150.2 | 160.3 | -85.6 | -84.2 | 0 | 0 | 0 | 113.7 | ||||
| 211 | H | 31.7 | Very low | 32.9 | Very low | 164 Ų | 164 | 152 Ų | 152 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | -153.9 | 165.5 | 118.6 | -130.2 | -98.2 | 0 | 0 | 0 | 114.5 | |||||
| 212 | Q | 31.1 | Very low | 33.2 | Very low | 163 Ų | 163 | 152.7 Ų | 152.7 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -69.5 | 144.6 | -162.9 | -62 | 149.6 | -16.5 | 0 | 0 | 116.4 | ||||
| 213 | G | 30.9 | Very low | 33.2 | Very low | 74 Ų | 74 | 153.7 Ų | 153.7 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | 87.2 | 111.9 | 115.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 214 | E | 30.7 | Very low | 33 | Very low | 198 Ų | 198 | 154.2 Ų | 154.2 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | -154.5 | 145.7 | 144.8 | -121.2 | 169.6 | -148.2 | 0 | 0 | 111.3 | G216 | E214-G216 PolarHBondContact O-N 3.49Š| ||
| 215 | V | 38.8 | Very low | 32.2 | Very low | 146 Ų | 146 | 154.8 Ų | 154.8 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | trans | -88.7 | 91.4 | -174.4 | -84 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 216 | G | 29.9 | Very low | 32.4 | Very low | 73 Ų | 73 | 155.7 Ų | 155.7 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -75.3 | 121.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E214 M218 | E214-G216 PolarHBondContact O-N 3.49Å; G216-M218 PolarHBondContact O-N 3.21Å | ||
| 217 | V | 33.4 | Very low | 32.5 | Very low | 129 Ų | 129 | 151.9 Ų | 151.9 | 78% | 0.782 | 80% | 0.795 | S | S | * | * | trans | -57 | 130.1 | 173.5 | 177 | 0 | 0 | 0 | 0 | 110.2 | E219 | V217-E219 VanDerWaalsContact C-N 3.3Å; V217-E219 PolarHBondContact O-N 3.25Å | ||
| 218 | M | 31.3 | Very low | 32.9 | Very low | 171 Ų | 171 | 151.1 Ų | 151.1 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | trans | -71.7 | 87.8 | 168.2 | -71.7 | -161.3 | -60.4 | 0 | 0 | 109.8 | G216 H220 | G216-M218 PolarHBondContact O-N 3.21Å; M218-H220 PolarHBondContact O-N 3.17Å; M218-H220 VanDerWaalsContact O-N 3.1Å | ||
| 219 | E | 31.4 | Very low | 33.7 | Very low | 175 Ų | 175 | 148.1 Ų | 148.1 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -58.6 | 113.9 | 163.3 | -73.2 | -165.9 | 136.9 | 0 | 0 | 109.2 | V217 K221 | V217-E219 VanDerWaalsContact C-N 3.3Å; V217-E219 PolarHBondContact O-N 3.25Å; E219-K221 VanDerWaalsContact C-N 3.28Å; E219-K221 PolarHBondContact O-N 3.1Å | ||
| 220 | H | 36 | Very low | 34.2 | Very low | 179 Ų | 179 | 150 Ų | 150 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | trans | -64.3 | 92.9 | 164.6 | -85 | -95.6 | 0 | 0 | 0 | 108.6 | M218 P222 | M218-H220 PolarHBondContact O-N 3.17Å; M218-H220 VanDerWaalsContact O-N 3.1Å; H220-P222 VanDerWaalsContact O-N 3.13Å | ||
| 221 | K | 27.7 | Very low | 34.8 | Very low | 191 Ų | 191 | 143.7 Ų | 143.7 | 83% | 0.83 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 121.5 | 167.6 | -102.4 | 177.3 | 176.8 | 171.1 | 0 | 108.4 | E219 F223 | E219-K221 VanDerWaalsContact C-N 3.28Å; E219-K221 PolarHBondContact O-N 3.1Å; K221-F223 PolarHBondContact O-N 3.37Å |
| 222 | P | 34.7 | Very low | 35.3 | Very low | 118 Ų | 118 | 142 Ų | 142 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 127.6 | 177.9 | 23.7 | -32.1 | 0 | 0 | 0 | 108.6 | H220 Q224 | H220-P222 VanDerWaalsContact O-N 3.13Å; P222-Q224 PolarHBondContact O-N 3.19Å; P222-Q224 VanDerWaalsContact O-N 3.15Å |
| 223 | F | 29.9 | Very low | 36.3 | Very low | 193 Ų | 193 | 136.7 Ų | 136.7 | 85% | 0.846 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 120.6 | 176.9 | -159.3 | -91.3 | 0 | 0 | 0 | 107.8 | K221 T225 | K221-F223 PolarHBondContact O-N 3.37Å; F223-T225 PolarHBondContact O-N 3.15Å; F223-T225 VanDerWaalsContact O-N 3.13Å |
| 224 | Q | 31.4 | Very low | 36.8 | Very low | 156 Ų | 156 | 138.2 Ų | 138.2 | 73% | 0.729 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 124 | -173.8 | -71.2 | -179.7 | -9.3 | 0 | 0 | 109.8 | P222 M226 | P222-Q224 PolarHBondContact O-N 3.19Å; P222-Q224 VanDerWaalsContact O-N 3.15Å; Q224-M226 PolarHBondContact O-N 2.85Å |
| 225 | T | 31.5 | Very low | 37.6 | Very low | 133 Ų | 133 | 134 Ų | 134 | 82% | 0.816 | 72% | 0.719 | S | S | * | * | trans | -62.5 | 101.7 | 170.5 | 43.3 | 0 | 0 | 0 | 0 | 108 | F223 D227 | F223-T225 PolarHBondContact O-N 3.15Å; F223-T225 VanDerWaalsContact O-N 3.13Å; T225-D227 PolarHBondContact O-N 3.08Å | ||
| 226 | M | 36.2 | Very low | 38.4 | Very low | 152 Ų | 152 | 130 Ų | 130 | 75% | 0.749 | 69% | 0.692 | S | S | * | * | trans | -61.2 | 121.1 | 175.2 | -71.1 | -74.9 | 159.3 | 0 | 0 | 108.9 | Q224 | Q224-M226 PolarHBondContact O-N 2.85Š| ||
| 227 | D | 33.5 | Very low | 39.7 | Very low | 138 Ų | 138 | 129.4 Ų | 129.4 | 74% | 0.738 | 67% | 0.674 | S | S | * | * | trans | -53.9 | 146 | 179.6 | -73.6 | -55.4 | 0 | 0 | 0 | 111.8 | T225 I229 | T225-D227 PolarHBondContact O-N 3.08Å; D227-I229 PolarHBondContact O-N 3.12Å | ||
| 228 | P | 41.5 | Very low | 40.9 | Very low | 124 Ų | 124 | 126.4 Ų | 126.4 | 81% | 0.805 | 66% | 0.657 | S | S | * | * | trans | -58.3 | 110.8 | -179.8 | 23.3 | -33.3 | 0 | 0 | 0 | 110.4 | R230 | P228-R230 PolarHBondContact O-N 3.23Š| ||
| 229 | I | 47.5 | Very low | 42.3 | Very low | 84 Ų | 84 | 123 Ų | 123 | 43% | 0.431 | 64% | 0.642 | S | S | . | * | trans | -55.6 | 109.7 | -174 | -60.5 | 172.3 | 0 | 0 | 0 | 109.4 | D227 V231 I345 | D227-I229 PolarHBondContact O-N 3.12Å; I229-V231 HydrophobicContact CG2-CG2 3.86Å; I229-V231 PolarHBondContact O-N 3.2Å; I229-I345 HydrophobicContact CD1-CD1 4.2Å; I229-I345 HydrophobicContact CD1-CG2 4.07Å | ||
| 230 | R | 42.1 | Very low | 43.9 | Very low | 219 Ų | 219 | 118.9 Ų | 118.9 | 83% | 0.826 | 62% | 0.622 | S | S | * | * | trans | -69 | 80 | 176.2 | -165.9 | 179 | -174 | -165 | 2.1 | 110 | P228 N232 | P228-R230 PolarHBondContact O-N 3.23Å; R230-N232 VanDerWaalsContact C-N 3.26Å; R230-N232 PolarHBondContact O-N 3.4Å | ||
| 231 | V | 49.4 | Very low | 45.2 | Very low | 37 Ų | 37 | 110.5 Ų | 110.5 | 22% | 0.224 | 58% | 0.584 | C | S | . | * | trans | -73.6 | 79.6 | 174.9 | -175.4 | 0 | 0 | 0 | 0 | 109.2 | I229 F326 L341 I345 | I229-V231 HydrophobicContact CG2-CG2 3.86Å; I229-V231 PolarHBondContact O-N 3.2Å; V231-F326 HydrophobicContact CG1-CD1 4.07Å; V231-L341 HydrophobicContact CG1-CD2 3.84Å; V231-L341 HydrophobicContact CG2-CD2 4.36Å; V231-I345 HydrophobicContact CG2-CD1 4.49Å | ||
| 232 | N | 42.4 | Very low | 47.1 | Very low | 128 Ų | 128 | 104.9 Ų | 104.9 | 68% | 0.684 | 56% | 0.562 | S | S | * | * | trans | -138.1 | 75.7 | 167 | -103.3 | -23.6 | 0 | 0 | 0 | 110.7 | R230 | R230-N232 VanDerWaalsContact C-N 3.26Å; R230-N232 PolarHBondContact O-N 3.4Å | ||
| 233 | P | 51.9 | Low | 48.7 | Very low | 53 Ų | 53 | 105.9 Ų | 105.9 | 34% | 0.344 | 55% | 0.55 | S | S | . | * | trans | -59.9 | 144.8 | 142 | 31.5 | -32.4 | 0 | 0 | 0 | 107.9 | F326 | P233-F326 HydrophobicContact CG-CD1 3.99Å; P233-F326 HydrophobicContact CG-CE1 4.11Å | ||
| 234 | P | 40.8 | Very low | 50.3 | Low | 106 Ų | 106 | 98.8 Ų | 98.8 | 69% | 0.688 | 53% | 0.528 | S | S | * | . | trans | -58.3 | 141.2 | -175 | 23.5 | -33.6 | 0 | 0 | 0 | 111 | I236 | P234-I236 VanDerWaalsContact C-N 3.33Å; P234-I236 PolarHBondContact O-N 2.81Å | ||
| 235 | P | 47.9 | Very low | 52 | Low | 110 Ų | 110 | 92.3 Ų | 92.3 | 71% | 0.714 | 50% | 0.497 | S | S | * | . | trans | -68.9 | 93.3 | 176.2 | 28.8 | -33.7 | 0 | 0 | 0 | 109.4 | T237 | P235-T237 PolarHBondContact O-N 3.37Å; P235-T237 VanDerWaalsContact O-N 3.1Å | ||
| 236 | I | 56.4 | Low | 53.7 | Low | 62 Ų | 62 | 92.2 Ų | 92.2 | 32% | 0.318 | 49% | 0.486 | S | S | . | . | trans | -46.7 | 121 | 168.8 | -67.3 | 166.4 | 0 | 0 | 0 | 107.5 | P234 E240 P325 | P234-I236 VanDerWaalsContact C-N 3.33Å; P234-I236 PolarHBondContact O-N 2.81Å; I236-E240 HydrophobicContact CG2-CB 3.59Å; I236-P325 HydrophobicContact CD1-CB 4.41Å | ||
| 237 | T | 56.9 | Low | 55.1 | Low | 60 Ų | 60 | 89.8 Ų | 89.8 | 37% | 0.368 | 48% | 0.475 | S | S | . | . | trans | -63.5 | 156.4 | -164.3 | 60.5 | 0 | 0 | 0 | 0 | 111.1 | P235 L239 E240 T241 | P235-T237 PolarHBondContact O-N 3.37Å; P235-T237 VanDerWaalsContact O-N 3.1Å; T237-L239 PolarHBondContact O-N 3.38Å; T237-L239 VanDerWaalsContact O-N 3.16Å; T237-E240 WeakPolarHBondContact CB-OE2 3.28Å; T237-E240 WeakPolarHBondContact CG2-OE2 3.48Å; T237-E240 PolarHBondContact N-OE2 2.94Å; T237-E240 PolarHBondContact O-N 2.99Å; T237-E240 VanDerWaalsContact O-N 3.15Å; T237-E240 VanDerWaalsContact OG1-CG 3.31Å; T237-E240 WeakPolarHBondContact OG1-CG 3.47Å; T237-E240 PolarHBondContact OG1-N 3.17Å; T237-E240 VanDerWaalsContact OG1-N 3.13Å; T237-E240 PolarHBondContact OG1-OE2 3.05Å; T237-T241 PolarHBondContact O-N 3.23Å; T237-T241 VanDerWaalsContact O-N 3.14Å; T237-T241 PolarHBondContact O-OG1 3.16Å | ||
| 238 | P | 58 | Low | 56.5 | Low | 65 Ų | 65 | 90.1 Ų | 90.1 | 42% | 0.422 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -47.1 | -40.7 | 166.8 | -31.1 | 38.3 | 0 | 0 | 0 | 112.3 | T241 I242 T314 | P238-T241 PolarHBondContact O-N 3.28Å; P238-I242 WeakPolarHBondContact O-CB 3.35Å; P238-I242 WeakPolarHBondContact O-CD1 3.34Å; P238-I242 WeakPolarHBondContact O-CG1 3.36Å; P238-I242 PolarHBondContact O-N 3.31Å; P238-T314 HydrophobicContact CB-CG2 4.27Å; P238-T314 WeakPolarHBondContact CB-OG1 3.46Å; P238-T314 HydrophobicContact CG-CG2 4.41Å |
| 239 | L | 60.6 | Low | 57.3 | Low | 101 Ų | 101 | 90.3 Ų | 90.3 | 53% | 0.529 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64 | -44 | -179.3 | -136 | 71 | 0 | 0 | 0 | 112.8 | T237 I242 R243 | T237-L239 PolarHBondContact O-N 3.38Å; T237-L239 VanDerWaalsContact O-N 3.16Å; L239-I242 PolarHBondContact O-N 3.15Å; L239-R243 WeakPolarHBondContact O-CB 3.43Å; L239-R243 WeakPolarHBondContact O-CG 3.34Å; L239-R243 PolarHBondContact O-N 3.13Å |
| 240 | E | 64.8 | Low | 57.5 | Low | 87 Ų | 87 | 92.2 Ų | 92.2 | 41% | 0.407 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.4 | -36.5 | 177.5 | -72.5 | 159.5 | 129.9 | 0 | 0 | 112.5 | I236 T237 I242 R243 A244 | I236-E240 HydrophobicContact CG2-CB 3.59Å; T237-E240 WeakPolarHBondContact CB-OE2 3.28Å; T237-E240 WeakPolarHBondContact CG2-OE2 3.48Å; T237-E240 PolarHBondContact N-OE2 2.94Å; T237-E240 PolarHBondContact O-N 2.99Å; T237-E240 VanDerWaalsContact O-N 3.15Å; T237-E240 VanDerWaalsContact OG1-CG 3.31Å; T237-E240 WeakPolarHBondContact OG1-CG 3.47Å; T237-E240 PolarHBondContact OG1-N 3.17Å; T237-E240 VanDerWaalsContact OG1-N 3.13Å; T237-E240 PolarHBondContact OG1-OE2 3.05Å; E240-I242 VanDerWaalsContact C-N 3.35Å; E240-R243 PolarHBondContact O-N 3.31Å; E240-A244 VanDerWaalsContact O-CB 3.27Å; E240-A244 WeakPolarHBondContact O-CB 3.37Å; E240-A244 PolarHBondContact O-N 3.23Å |
| 241 | T | 64.2 | Low | 57.4 | Low | 4 Ų | 4 | 88.7 Ų | 88.7 | 3% | 0.025 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -67.9 | -37 | 175 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | T237 P238 F245 T314 L317 R318 | T237-T241 PolarHBondContact O-N 3.23Å; T237-T241 VanDerWaalsContact O-N 3.14Å; T237-T241 PolarHBondContact O-OG1 3.16Å; P238-T241 PolarHBondContact O-N 3.28Å; T241-F245 PolarHBondContact O-N 2.9Å; T241-T314 HydrophobicContact CG2-CG2 4.38Å; T241-L317 HydrophobicContact CG2-CB 3.99Å; T241-R318 HydrophobicContact CG2-CG 4.3Å |
| 242 | I | 67 | Low | 56.7 | Low | 73 Ų | 73 | 95.5 Ų | 95.5 | 37% | 0.374 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.7 | -41.8 | 176.1 | -68.7 | 163.8 | 0 | 0 | 0 | 111.1 | P238 L239 E240 F245 K246 L317 | P238-I242 WeakPolarHBondContact O-CB 3.35Å; P238-I242 WeakPolarHBondContact O-CD1 3.34Å; P238-I242 WeakPolarHBondContact O-CG1 3.36Å; P238-I242 PolarHBondContact O-N 3.31Å; L239-I242 PolarHBondContact O-N 3.15Å; E240-I242 VanDerWaalsContact C-N 3.35Å; I242-F245 PolarHBondContact O-N 3.19Å; I242-K246 WeakPolarHBondContact O-CB 3.27Å; I242-K246 PolarHBondContact O-N 3.02Å; I242-L317 HydrophobicContact CG1-CD1 3.65Å |
| 243 | R | 68 | Low | 56.8 | Low | 138 Ų | 138 | 96 Ų | 96 | 52% | 0.521 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.8 | -55.1 | 172.8 | -75.4 | 167.1 | 180 | 172.2 | -3.3 | 110.6 | L239 E240 F245 K246 D247 | L239-R243 WeakPolarHBondContact O-CB 3.43Å; L239-R243 WeakPolarHBondContact O-CG 3.34Å; L239-R243 PolarHBondContact O-N 3.13Å; E240-R243 PolarHBondContact O-N 3.31Å; R243-F245 CarbonylContact O-C 3.57Å; R243-F245 PolarHBondContact O-N 3.37Å; R243-K246 CarbonylContact O-C 3.52Å; R243-K246 WeakPolarHBondContact O-CA 3.41Å; R243-K246 PolarHBondContact O-N 3.18Å; R243-D247 VanDerWaalsContact C-OD2 3.28Å; R243-D247 WeakPolarHBondContact O-CB 3.26Å; R243-D247 PolarHBondContact O-N 3.36Å; R243-D247 VanDerWaalsContact O-OD2 3.06Å |
| 244 | A | 65 | Low | 55.8 | Low | 45 Ų | 45 | 96.8 Ų | 96.8 | 37% | 0.372 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.5 | -25.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | E240 K248 | E240-A244 VanDerWaalsContact O-CB 3.27Å; E240-A244 WeakPolarHBondContact O-CB 3.37Å; E240-A244 PolarHBondContact O-N 3.23Å; A244-K248 WeakPolarHBondContact O-CG 3.4Å |
| 245 | F | 65.8 | Low | 55.7 | Low | 19 Ų | 19 | 101.6 Ų | 101.6 | 8% | 0.083 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -74.9 | -48.7 | 168.3 | -177.8 | -97.1 | 0 | 0 | 0 | 111.6 | T241 I242 R243 D247 K248 Q249 P299 A300 L317 H320 T321 | T241-F245 PolarHBondContact O-N 2.9Å; I242-F245 PolarHBondContact O-N 3.19Å; R243-F245 CarbonylContact O-C 3.57Å; R243-F245 PolarHBondContact O-N 3.37Å; F245-D247 VanDerWaalsContact C-N 3.31Å; F245-D247 PolarHBondContact O-N 3.19Å; F245-K248 PolarHBondContact O-N 2.63Å; F245-Q249 HydrophobicContact CD1-CG 4.47Å; F245-Q249 HydrophobicContact CE1-CG 4.1Å; F245-Q249 HydrophobicContact CZ-CG 4.26Å; F245-Q249 WeakPolarHBondContact O-CG 3.42Å; F245-Q249 PolarHBondContact O-N 3.42Å; F245-P299 HydrophobicContact CD1-CG 4.3Å; F245-P299 HydrophobicContact CE1-CG 4.04Å; F245-A300 HydrophobicContact CE2-CB 4.4Å; F245-A300 HydrophobicContact CZ-CB 3.83Å; F245-L317 HydrophobicContact CG-CD2 4.41Å; F245-H320 HydrophobicContact CD2-CB 4.19Å; F245-H320 HydrophobicContact CE2-CB 3.84Å; F245-T321 HydrophobicContact CB-CG2 3.86Å; F245-T321 HydrophobicContact CD2-CG2 3.92Å; F245-T321 HydrophobicContact CG-CG2 4.4Å |
| 246 | K | 67.2 | Low | 55.2 | Low | 132 Ų | 132 | 104 Ų | 104 | 57% | 0.574 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64 | -32.7 | 179.6 | -163.3 | -177.4 | 177.1 | -178 | 0 | 113.2 | I242 R243 Q249 Q250 | I242-K246 WeakPolarHBondContact O-CB 3.27Å; I242-K246 PolarHBondContact O-N 3.02Å; R243-K246 CarbonylContact O-C 3.52Å; R243-K246 WeakPolarHBondContact O-CA 3.41Å; R243-K246 PolarHBondContact O-N 3.18Å; K246-Q249 PolarHBondContact O-N 3.29Å; K246-Q250 WeakPolarHBondContact O-CG 3.23Å; K246-Q250 PolarHBondContact O-NE2 3.17Å |
| 247 | D | 66.1 | Low | 54.4 | Low | 100 Ų | 100 | 104.7 Ų | 104.7 | 54% | 0.535 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -71.9 | -37.9 | 177.7 | -57.3 | -27.4 | 0 | 0 | 0 | 110.5 | R243 F245 Q249 Q250 | R243-D247 VanDerWaalsContact C-OD2 3.28Å; R243-D247 WeakPolarHBondContact O-CB 3.26Å; R243-D247 PolarHBondContact O-N 3.36Å; R243-D247 VanDerWaalsContact O-OD2 3.06Å; F245-D247 VanDerWaalsContact C-N 3.31Å; F245-D247 PolarHBondContact O-N 3.19Å; D247-Q249 PolarHBondContact O-N 2.82Å; D247-Q250 PolarHBondContact O-N 2.9Å |
| 248 | K | 62 | Low | 53.3 | Low | 145 Ų | 145 | 105 Ų | 105 | 63% | 0.63 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.8 | -14.4 | 172.5 | -78.4 | -174.1 | 175.9 | -167.2 | 0 | 114.4 | A244 F245 T321 | A244-K248 WeakPolarHBondContact O-CG 3.4Å; F245-K248 PolarHBondContact O-N 2.63Å; K248-T321 PolarHBondContact NZ-O 3.4Å; K248-T321 VanDerWaalsContact NZ-O 3.12Å |
| 249 | Q | 60.1 | Low | 52.2 | Low | 128 Ų | 128 | 110.5 Ų | 110.5 | 60% | 0.598 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | -2.1 | 177.3 | -62.5 | -65.8 | -11.5 | 0 | 0 | 113.2 | F245 K246 D247 | F245-Q249 HydrophobicContact CD1-CG 4.47Å; F245-Q249 HydrophobicContact CE1-CG 4.1Å; F245-Q249 HydrophobicContact CZ-CG 4.26Å; F245-Q249 WeakPolarHBondContact O-CG 3.42Å; F245-Q249 PolarHBondContact O-N 3.42Å; K246-Q249 PolarHBondContact O-N 3.29Å; D247-Q249 PolarHBondContact O-N 2.82Å |
| 250 | Q | 51.4 | Low | 51 | Low | 124 Ų | 124 | 115 Ų | 115 | 58% | 0.579 | 61% | 0.611 | S | S | * | * | trans | -105.2 | 58.5 | -173.6 | -80 | 175.7 | 97.6 | 0 | 0 | 113.4 | K246 D247 | K246-Q250 WeakPolarHBondContact O-CG 3.23Å; K246-Q250 PolarHBondContact O-NE2 3.17Å; D247-Q250 PolarHBondContact O-N 2.9Å | ||
| 251 | I | 40.1 | Very low | 49.7 | Very low | 146 Ų | 146 | 119 Ų | 119 | 75% | 0.749 | 63% | 0.63 | S | S | * | * | trans | -127.2 | 89.3 | 160.2 | -55.4 | -178.6 | 0 | 0 | 0 | 108.6 | ||||
| 252 | H | 33.9 | Very low | 48.7 | Very low | 180 Ų | 180 | 123.9 Ų | 123.9 | 83% | 0.833 | 66% | 0.661 | S | S | * | * | trans | 175.1 | 109.1 | 144.6 | -93 | -64 | 0 | 0 | 0 | 108.4 | G254 | H252-G254 PolarHBondContact O-N 2.64Š| ||
| 253 | P | 43.8 | Very low | 47.4 | Very low | 139 Ų | 139 | 126 Ų | 126 | 90% | 0.903 | 68% | 0.68 | S | S | * | * | trans | -81.7 | 114.9 | 173.4 | 31.2 | -30.2 | 0 | 0 | 0 | 109.8 | ||||
| 254 | G | 32.1 | Very low | 45.8 | Very low | 68 Ų | 68 | 127.7 Ų | 127.7 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | trans | -159.3 | 87.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | H252 | H252-G254 PolarHBondContact O-N 2.64Š| ||
| 255 | F | 38 | Very low | 44.5 | Very low | 207 Ų | 207 | 134.4 Ų | 134.4 | 91% | 0.908 | 72% | 0.717 | S | S | * | * | trans | 41.2 | 93 | 133.7 | -134.6 | -83.5 | 0 | 0 | 0 | 119.2 | ||||
| 256 | I | 38.7 | Very low | 43.3 | Very low | 161 Ų | 161 | 141.6 Ų | 141.6 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | trans | -140.4 | 111.7 | 142.1 | -60.1 | -173.4 | 0 | 0 | 0 | 109.6 | ||||
| 257 | G | 39.3 | Very low | 42.2 | Very low | 77 Ų | 77 | 140.6 Ų | 140.6 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | trans | -87 | 110.5 | 155.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 258 | G | 33.2 | Very low | 41.2 | Very low | 65 Ų | 65 | 141.4 Ų | 141.4 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | trans | -106.9 | 121.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 259 | Q | 35.5 | Very low | 40.2 | Very low | 182 Ų | 182 | 140.7 Ų | 140.7 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 146.3 | -179.4 | -63.7 | 176.8 | 4.6 | 0 | 0 | 111.7 | H261 | Q259-H261 PolarHBondContact O-N 3.49Š|
| 260 | Q | 34.7 | Very low | 39.1 | Very low | 194 Ų | 194 | 143.1 Ų | 143.1 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 121.1 | 174.8 | -65.6 | 173.7 | -5.6 | 0 | 0 | 110.1 | ||
| 261 | H | 38.7 | Very low | 38.3 | Very low | 173 Ų | 173 | 143.9 Ų | 143.9 | 80% | 0.801 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 136 | 162.2 | -88.6 | -86.9 | 0 | 0 | 0 | 110.1 | Q259 | Q259-H261 PolarHBondContact O-N 3.49Š|
| 262 | P | 42.3 | Very low | 38.3 | Very low | 105 Ų | 105 | 144.5 Ų | 144.5 | 68% | 0.682 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 151.9 | 177.6 | 30.6 | -34.6 | 0 | 0 | 0 | 111.9 | ||
| 263 | P | 40 | Very low | 38.8 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 134.1 | -178.4 | 29.3 | -34.5 | 0 | 0 | 0 | 111.8 | ||
| 264 | Q | 34.8 | Very low | 39 | Very low | 173 Ų | 173 | 143.7 Ų | 143.7 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 135.4 | 172.2 | -65.8 | -166.8 | 0.9 | 0 | 0 | 111.1 | ||
| 265 | H | 37.4 | Very low | 39.6 | Very low | 186 Ų | 186 | 149.5 Ų | 149.5 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 123.9 | 177.1 | -74.6 | -97.5 | 0 | 0 | 0 | 111.2 | ||
| 266 | H | 40.9 | Very low | 39.8 | Very low | 170 Ų | 170 | 145.9 Ų | 145.9 | 79% | 0.787 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 138.8 | 164.7 | -70 | -75.4 | 0 | 0 | 0 | 110.6 | ||
| 267 | P | 44.2 | Very low | 40.4 | Very low | 110 Ų | 110 | 146 Ų | 146 | 71% | 0.714 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 154.2 | 178.6 | 31.7 | -35.3 | 0 | 0 | 0 | 112.2 | ||
| 268 | P | 44.1 | Very low | 40.6 | Very low | 118 Ų | 118 | 153.2 Ų | 153.2 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 130.3 | -176.6 | 30.7 | -34.3 | 0 | 0 | 0 | 112.8 | Q270 | P268-Q270 PolarHBondContact O-N 2.84Å; P268-Q270 VanDerWaalsContact O-N 3.15Å |
| 269 | P | 40.1 | Very low | 40.9 | Very low | 129 Ų | 129 | 156.2 Ų | 156.2 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | trans | -78.9 | 99.1 | 172.1 | 30.1 | -31.9 | 0 | 0 | 0 | 111.9 | ||||
| 270 | Q | 37.8 | Very low | 41.4 | Very low | 179 Ų | 179 | 158.7 Ų | 158.7 | 84% | 0.836 | 82% | 0.822 | S | S | * | * | trans | 17.4 | 123.2 | 148.4 | -56.4 | -179.6 | 28.6 | 0 | 0 | 119.4 | P268 L272 | P268-Q270 PolarHBondContact O-N 2.84Å; P268-Q270 VanDerWaalsContact O-N 3.15Å; Q270-L272 PolarHBondContact O-N 3.45Å | ||
| 271 | T | 34.4 | Very low | 42.1 | Very low | 140 Ų | 140 | 158.8 Ų | 158.8 | 86% | 0.859 | 82% | 0.819 | S | S | * | * | trans | -68.9 | 115.2 | 175.3 | -15.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 272 | L | 40.8 | Very low | 42.1 | Very low | 159 Ų | 159 | 160 Ų | 160 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | -88.4 | 115.3 | 168.8 | -68.7 | 177.3 | 0 | 0 | 0 | 110.9 | Q270 L274 | Q270-L272 PolarHBondContact O-N 3.45Å; L272-L274 PolarHBondContact O-N 3.32Å | ||
| 273 | T | 44.8 | Very low | 42.4 | Very low | 136 Ų | 136 | 160.9 Ų | 160.9 | 83% | 0.834 | 82% | 0.824 | S | S | * | * | trans | -78 | 97.2 | 179.9 | 35.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 274 | L | 47 | Very low | 42.3 | Very low | 167 Ų | 167 | 162.9 Ų | 162.9 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | -83.4 | 137.5 | 171.1 | -67 | 174.1 | 0 | 0 | 0 | 111.3 | L272 | L272-L274 PolarHBondContact O-N 3.32Š| ||
| 275 | K | 44.2 | Very low | 42.4 | Very low | 190 Ų | 190 | 165.9 Ų | 165.9 | 83% | 0.826 | 83% | 0.832 | S | S | * | * | trans | -65.7 | 154.5 | -176.3 | -65.8 | 177.1 | 179.9 | 177 | 0 | 112.2 | I277 | K275-I277 PolarHBondContact O-N 3.43Å; K275-I277 VanDerWaalsContact O-N 3.13Å | ||
| 276 | P | 42.3 | Very low | 42.7 | Very low | 131 Ų | 131 | 161.8 Ų | 161.8 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | trans | -61.4 | 115.9 | -175.4 | -22.5 | 33.6 | 0 | 0 | 0 | 113 | ||||
| 277 | I | 51.2 | Low | 42.5 | Very low | 162 Ų | 162 | 158.6 Ų | 158.6 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 129.7 | 169 | -59.9 | 175.1 | 0 | 0 | 0 | 107.6 | K275 | K275-I277 PolarHBondContact O-N 3.43Å; K275-I277 VanDerWaalsContact O-N 3.13Å |
| 278 | R | 44.5 | Very low | 42.8 | Very low | 230 Ų | 230 | 162.9 Ų | 162.9 | 87% | 0.868 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 134.3 | 178.9 | -59.5 | -176.8 | -171.6 | -160.4 | 2.2 | 109.8 | R280 | R278-R280 PolarHBondContact O-N 2.81Å; R278-R280 VanDerWaalsContact O-N 3.16Å |
| 279 | P | 40.1 | Very low | 42.8 | Very low | 127 Ų | 127 | 162.4 Ų | 162.4 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 121.6 | -176.9 | 23.7 | -32.9 | 0 | 0 | 0 | 110.7 | K281 | P279-K281 PolarHBondContact O-N 3.22Š|
| 280 | R | 46.1 | Very low | 43.3 | Very low | 234 Ų | 234 | 162 Ų | 162 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -61 | 132.1 | 167 | -91.9 | -174.4 | 165.3 | -161.9 | -3.5 | 108.1 | R278 Y282 | R278-R280 PolarHBondContact O-N 2.81Å; R278-R280 VanDerWaalsContact O-N 3.16Å; R280-Y282 PolarHBondContact O-N 2.89Å |
| 281 | K | 48.2 | Very low | 44.2 | Very low | 196 Ų | 196 | 159.8 Ų | 159.8 | 85% | 0.852 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -68 | 10.7 | -170.6 | -142.3 | 176.5 | -175.9 | -178 | 0 | 115.5 | P279 | P279-K281 PolarHBondContact O-N 3.22Š|
| 282 | Y | 39.5 | Very low | 45.6 | Very low | 198 Ų | 198 | 159.1 Ų | 159.1 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -142.6 | 112.3 | 174.3 | -62.9 | -80.1 | 0 | 0 | 0 | 107.9 | R280 | R280-Y282 PolarHBondContact O-N 2.89Š|
| 283 | P | 48.3 | Very low | 47.4 | Very low | 125 Ų | 125 | 158.6 Ų | 158.6 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | -63.9 | 149.5 | 174.2 | 27.5 | -33.1 | 0 | 0 | 0 | 110.1 | R285 | P283-R285 PolarHBondContact O-N 3.5Å; P283-R285 VanDerWaalsContact O-N 3.14Å | ||
| 284 | N | 38.3 | Very low | 49.4 | Very low | 160 Ų | 160 | 157.7 Ų | 157.7 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | -46 | 117.4 | -169.8 | -71.3 | -56.8 | 0 | 0 | 0 | 113.4 | P286 | N284-P286 VanDerWaalsContact O-CD 3.28Å; N284-P286 WeakPolarHBondContact O-CD 3.14Å | ||
| 285 | R | 36.6 | Very low | 51.3 | Low | 236 Ų | 236 | 153.2 Ų | 153.2 | 89% | 0.891 | 76% | 0.759 | S | S | * | * | trans | -61.5 | 115.4 | 153.7 | -171.7 | -175.3 | -160.9 | -148.8 | 7.4 | 106 | P283 S287 | P283-R285 PolarHBondContact O-N 3.5Å; P283-R285 VanDerWaalsContact O-N 3.14Å; R285-S287 PolarHBondContact O-N 2.86Å | ||
| 286 | P | 42.5 | Very low | 53.5 | Low | 101 Ų | 101 | 147.2 Ų | 147.2 | 66% | 0.656 | 73% | 0.734 | S | S | * | * | trans | -58.2 | 130.9 | 178.3 | 23.2 | -32.6 | 0 | 0 | 0 | 108.7 | N284 K288 | N284-P286 VanDerWaalsContact O-CD 3.28Å; N284-P286 WeakPolarHBondContact O-CD 3.14Å; P286-K288 PolarHBondContact O-N 3.44Å | ||
| 287 | S | 38.3 | Very low | 55.8 | Low | 103 Ų | 103 | 143.5 Ų | 143.5 | 72% | 0.72 | 72% | 0.715 | S | S | * | * | trans | -66.2 | 94.5 | -177.5 | 51.8 | 0 | 0 | 0 | 0 | 109.9 | R285 T289 | R285-S287 PolarHBondContact O-N 2.86Å; S287-T289 PolarHBondContact O-N 3.33Å | ||
| 288 | K | 49.8 | Very low | 57.8 | Low | 200 Ų | 200 | 136.5 Ų | 136.5 | 87% | 0.87 | 68% | 0.68 | S | S | * | * | trans | -71.4 | 65.6 | 167.5 | -72.6 | -168.8 | 177.2 | -174.2 | 0 | 110.5 | P286 | P286-K288 PolarHBondContact O-N 3.44Š| ||
| 289 | T | 44.1 | Very low | 60 | Low | 107 Ų | 107 | 129.1 Ų | 129.1 | 66% | 0.656 | 66% | 0.662 | S | S | * | * | trans | -133.6 | 93 | 160.7 | 50.5 | 0 | 0 | 0 | 0 | 106 | S287 V291 | S287-T289 PolarHBondContact O-N 3.33Å; T289-V291 PolarHBondContact O-N 2.85Å; T289-V291 VanDerWaalsContact O-N 3.13Å | ||
| 290 | P | 50.8 | Low | 62.4 | Low | 122 Ų | 122 | 123.9 Ų | 123.9 | 79% | 0.792 | 63% | 0.629 | S | S | * | * | trans | -55.3 | 122.6 | 162.3 | -16.6 | 30 | 0 | 0 | 0 | 106.5 | H292 | P290-H292 PolarHBondContact O-N 2.82Š| ||
| 291 | V | 56.9 | Low | 64.1 | Low | 131 Ų | 131 | 121.4 Ų | 121.4 | 79% | 0.794 | 63% | 0.627 | S | S | * | * | trans | -48.2 | 133.3 | 154.9 | 176.2 | 0 | 0 | 0 | 0 | 105.4 | T289 E293 | T289-V291 PolarHBondContact O-N 2.85Å; T289-V291 VanDerWaalsContact O-N 3.13Å; V291-E293 PolarHBondContact O-N 2.93Å | ||
| 292 | H | 63.9 | Low | 66 | Low | 126 Ų | 126 | 119.6 Ų | 119.6 | 58% | 0.583 | 63% | 0.627 | S | S | * | * | trans | -64.3 | 85.2 | -174.5 | 178.2 | -61.7 | 0 | 0 | 0 | 109.6 | P290 R294 | P290-H292 PolarHBondContact O-N 2.82Å; H292-R294 WeakPolarHBondContact ND1-CG 3.22Å; H292-R294 PolarHBondContact O-N 3.25Å | ||
| 293 | E | 78.3 | Confident | 68.5 | Low | 148 Ų | 148 | 111 Ų | 111 | 69% | 0.692 | 60% | 0.595 | S | S | * | * | trans | -70.9 | 135 | -172.2 | -150.8 | 169.5 | -174.6 | 0 | 0 | 108 | V291 P295 S308 | V291-E293 PolarHBondContact O-N 2.93Å; E293-P295 VanDerWaalsContact C-CD 3.48Å; E293-P295 HydrophobicContact CG-CG 4.2Å; E293-P295 WeakPolarHBondContact O-CD 3.42Å; E293-S308 WeakPolarHBondContact O-CB 3.38Å | ||
| 294 | R | 85.9 | Confident | 70.6 | Confident | 118 Ų | 118 | 112.8 Ų | 112.8 | 45% | 0.445 | 60% | 0.598 | S | S | . | * | trans | -124.4 | 72.4 | 178.8 | -63.7 | 173.7 | 81.4 | 148.8 | -0.3 | 107.9 | H292 H296 R306 F307 | H292-R294 WeakPolarHBondContact ND1-CG 3.22Å; H292-R294 PolarHBondContact O-N 3.25Å; R294-H296 PolarHBondContact O-N 3.36Å; R294-R306 HydrophobicContact CB-CB 3.72Å; R294-R306 PolarHBondContact NE-O 2.73Å; R294-R306 PolarHBondContact NH2-O 2.84Å; R294-R306 PolarHBondContact O-NE 3.31Å; R294-R306 PolarHBondContact O-NH2 2.94Å; R294-F307 CarbonylContact C-O 3.58Å; R294-F307 VanDerWaalsContact C-O 3.23Å; R294-F307 WeakPolarHBondContact CA-O 3.32Å | ||
| 295 | P | 87.1 | Confident | 73.2 | Confident | 72 Ų | 72 | 111.9 Ų | 111.9 | 47% | 0.468 | 58% | 0.583 | S | S | . | * | trans | -66.1 | -30.1 | -172.7 | -18.1 | 32.7 | 0 | 0 | 0 | 111.6 | E293 A297 | E293-P295 VanDerWaalsContact C-CD 3.48Å; E293-P295 HydrophobicContact CG-CG 4.2Å; E293-P295 WeakPolarHBondContact O-CD 3.42Å; P295-A297 PolarHBondContact O-N 3.13Å; P295-A297 VanDerWaalsContact O-N 3.15Å | ||
| 296 | H | 90.8 | Very high | 75.9 | Confident | 65 Ų | 65 | 107 Ų | 107 | 30% | 0.301 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87 | 87 | -171.8 | -54.6 | -67.3 | 0 | 0 | 0 | 111.1 | R294 R306 F307 S310 L313 | R294-H296 PolarHBondContact O-N 3.36Å; H296-R306 CarbonylContact O-C 3.53Å; H296-R306 WeakPolarHBondContact O-CA 3.23Å; H296-F307 HydrophobicContact CB-CB 4.22Å; H296-F307 PolarHBondContact N-O 3.15Å; H296-F307 WeakPolarHBondContact O-CD2 3.19Å; H296-F307 PolarHBondContact O-N 3.38Å; H296-S310 PolarHBondContact CD2-N 2.75Å; H296-S310 PolarHBondContact NE2-N 3.41Å; H296-L313 HydrophobicContact CB-CB 4.04Å; H296-L313 HydrophobicContact CB-CD2 3.84Å |
| 297 | A | 91.6 | Very high | 78.3 | Confident | 53 Ų | 53 | 103.2 Ų | 103.2 | 44% | 0.438 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 151.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | P295 R306 L313 | P295-A297 PolarHBondContact O-N 3.13Å; P295-A297 VanDerWaalsContact O-N 3.15Å; A297-R306 HydrophobicContact CB-CG 4.09Å; A297-L313 WeakPolarHBondContact O-CD2 3.44Å |
| 298 | C | 93.4 | Very high | 80.9 | Confident | 14 Ų | 14 | 100.5 Ų | 100.5 | 10% | 0.095 | 52% | 0.519 | C | S | . | . | trans | -74.4 | 130.6 | 167.6 | -167.2 | 0 | 0 | 0 | 0 | 109.7 | A300 C303 R305 L313 H316 H320 | C298-A300 VanDerWaalsContact C-N 3.25Å; C298-A300 PolarHBondContact O-N 2.8Å; C298-C303 HydrophobicContact CB-CB 4.26Å; C298-C303 WeakPolarHBondContact CB-O 3.5Å; C298-R305 VanDerWaalsContact CB-O 3.32Å; C298-R305 WeakPolarHBondContact CB-O 3.09Å; C298-R305 PolarHBondContact N-O 3.19Å; C298-L313 HydrophobicContact CB-CD1 4.29Å; C298-H316 PolarHBondContact SG-NE2 3.49Å; C298-H320 PolarHBondContact SG-NE2 3.28Å | ||
| 299 | P | 90.2 | Very high | 82.8 | Confident | 76 Ų | 76 | 97.6 Ų | 97.6 | 49% | 0.494 | 50% | 0.502 | S | S | . | . | trans | -87.3 | 21.5 | 178.6 | 37.9 | -38.8 | 0 | 0 | 0 | 113.3 | F245 L317 | F245-P299 HydrophobicContact CD1-CG 4.3Å; F245-P299 HydrophobicContact CE1-CG 4.04Å; P299-L317 HydrophobicContact CG-CD2 4.15Å | ||
| 300 | A | 90.1 | Very high | 85 | Confident | 16 Ų | 16 | 95.4 Ų | 95.4 | 13% | 0.132 | 49% | 0.492 | C | S | . | . | trans | -98.9 | 127.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | F245 C298 N302 C303 | F245-A300 HydrophobicContact CE2-CB 4.4Å; F245-A300 HydrophobicContact CZ-CB 3.83Å; C298-A300 VanDerWaalsContact C-N 3.25Å; C298-A300 PolarHBondContact O-N 2.8Å; A300-N302 PolarHBondContact O-N 3.09Å; A300-C303 HydrophobicContact CB-CB 4.02Å; A300-C303 PolarHBondContact O-N 3.25Å | ||
| 301 | E | 82.2 | Confident | 86.8 | Confident | 183 Ų | 183 | 92.9 Ų | 92.9 | 86% | 0.855 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | -34.2 | -174.5 | -63.1 | -59.7 | 139.3 | 0 | 0 | 114.3 | ||
| 302 | N | 88.6 | Confident | 88.4 | Confident | 158 Ų | 158 | 89.1 Ų | 89.1 | 85% | 0.845 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | 37.7 | 178.8 | -64.8 | -8.6 | 0 | 0 | 0 | 112.6 | A300 | A300-N302 PolarHBondContact O-N 3.09Š|
| 303 | C | 91.6 | Very high | 89.8 | Confident | 16 Ų | 16 | 84 Ų | 84 | 11% | 0.108 | 42% | 0.422 | C | S | . | . | trans | -150.1 | 96 | -179.3 | -154.7 | 0 | 0 | 0 | 0 | 116.4 | C298 A300 R305 H316 H320 | C298-C303 HydrophobicContact CB-CB 4.26Å; C298-C303 WeakPolarHBondContact CB-O 3.5Å; A300-C303 HydrophobicContact CB-CB 4.02Å; A300-C303 PolarHBondContact O-N 3.25Å; C303-R305 PolarHBondContact O-N 3.39Å; C303-H316 PolarHBondContact SG-NE2 3.15Å; C303-H320 WeakPolarHBondContact CB-CE1 3.47Å; C303-H320 WeakPolarHBondContact CB-NE2 3.39Å; C303-H320 PolarHBondContact SG-CE1 2.94Å; C303-H320 PolarHBondContact SG-NE2 3.48Å | ||
| 304 | D | 91.8 | Very high | 90.4 | Very high | 163 Ų | 163 | 77.3 Ų | 77.3 | 87% | 0.872 | 39% | 0.391 | S | S | * | . | trans | -73.4 | 14.3 | 178.2 | -48.8 | -70.6 | 0 | 0 | 0 | 115.4 | R306 | D304-R306 PolarHBondContact O-N 3.39Š| ||
| 305 | R | 92.3 | Very high | 90.6 | Very high | 142 Ų | 142 | 76.2 Ų | 76.2 | 54% | 0.536 | 39% | 0.387 | S | S | . | . | trans | -76.2 | 119.2 | -173.2 | -71.1 | -170.8 | 178.8 | -159.9 | 2.8 | 111.5 | C298 C303 F307 | C298-R305 VanDerWaalsContact CB-O 3.32Å; C298-R305 WeakPolarHBondContact CB-O 3.09Å; C298-R305 PolarHBondContact N-O 3.19Å; C303-R305 PolarHBondContact O-N 3.39Å; R305-F307 HydrophobicContact CB-CE2 3.8Å; R305-F307 HydrophobicContact CB-CZ 3.76Å; R305-F307 WeakPolarHBondContact O-CE2 3.06Å | ||
| 306 | R | 94.4 | Very high | 90.8 | Very high | 133 Ų | 133 | 73.2 Ų | 73.2 | 50% | 0.502 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 150.9 | 172.2 | -55.9 | -179.5 | 62 | 162.6 | 2.7 | 111.5 | R294 H296 A297 D304 | R294-R306 HydrophobicContact CB-CB 3.72Å; R294-R306 PolarHBondContact NE-O 2.73Å; R294-R306 PolarHBondContact NH2-O 2.84Å; R294-R306 PolarHBondContact O-NE 3.31Å; R294-R306 PolarHBondContact O-NH2 2.94Å; H296-R306 CarbonylContact O-C 3.53Å; H296-R306 WeakPolarHBondContact O-CA 3.23Å; A297-R306 HydrophobicContact CB-CG 4.09Å; D304-R306 PolarHBondContact O-N 3.39Å |
| 307 | F | 91.9 | Very high | 90.9 | Very high | 21 Ų | 21 | 70.2 Ų | 70.2 | 9% | 0.092 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 147.7 | -177.3 | -57.1 | -86 | 0 | 0 | 0 | 111.1 | R294 H296 R305 R309 E312 L313 H316 | R294-F307 CarbonylContact C-O 3.58Å; R294-F307 VanDerWaalsContact C-O 3.23Å; R294-F307 WeakPolarHBondContact CA-O 3.32Å; H296-F307 HydrophobicContact CB-CB 4.22Å; H296-F307 PolarHBondContact N-O 3.15Å; H296-F307 WeakPolarHBondContact O-CD2 3.19Å; H296-F307 PolarHBondContact O-N 3.38Å; R305-F307 HydrophobicContact CB-CE2 3.8Å; R305-F307 HydrophobicContact CB-CZ 3.76Å; R305-F307 WeakPolarHBondContact O-CE2 3.06Å; F307-R309 VanDerWaalsContact C-N 3.34Å; F307-E312 HydrophobicContact CB-CB 3.95Å; F307-E312 HydrophobicContact CD1-CB 3.65Å; F307-E312 HydrophobicContact CG-CB 4.02Å; F307-L313 HydrophobicContact CB-CB 4.35Å; F307-L313 HydrophobicContact CD2-CB 3.8Å; F307-L313 HydrophobicContact CD2-CD1 3.93Å; F307-L313 HydrophobicContact CD2-CG 4.46Å; F307-L313 HydrophobicContact CE2-CD1 4.05Å; F307-L313 HydrophobicContact CG-CB 4.24Å; F307-H316 HydrophobicContact CE1-CB 4.05Å; F307-H316 HydrophobicContact CE2-CB 3.86Å; F307-H316 AromaticContact CE2-CD2 3.31Å; F307-H316 WeakPolarHBondContact CE2-CD2 3.38Å; F307-H316 AromaticContact CE2-CG 3.72Å; F307-H316 HydrophobicContact CZ-CB 3.43Å; F307-H316 VanDerWaalsContact CZ-CB 3.43Å; F307-H316 AromaticContact CZ-CD2 3.4Å; F307-H316 WeakPolarHBondContact CZ-CD2 3.4Å; F307-H316 AromaticContact CZ-CG 3.34Å |
| 308 | S | 92.9 | Very high | 90.9 | Very high | 46 Ų | 46 | 69.3 Ų | 69.3 | 32% | 0.322 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -79.7 | -18.9 | 175 | 46 | 0 | 0 | 0 | 0 | 112.5 | E293 | E293-S308 WeakPolarHBondContact O-CB 3.38Š|
| 309 | R | 90.6 | Very high | 90.7 | Very high | 139 Ų | 139 | 74.1 Ų | 74.1 | 53% | 0.525 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -128.9 | 150.2 | 178.3 | -57.4 | 161 | 47.6 | 144.8 | -6.9 | 112.2 | F307 D311 E312 L313 | F307-R309 VanDerWaalsContact C-N 3.34Å; R309-D311 WeakPolarHBondContact CB-OD1 3.48Å; R309-D311 IonicContact CZ-OD1 3.13Å; R309-D311 IonicContact CZ-OD2 3.98Å; R309-D311 IonicContact NE-OD1 2.75Å; R309-D311 PolarHBondContact NE-OD1 3.18Å; R309-D311 IonicContact NE-OD2 3.42Å; R309-D311 VanDerWaalsContact NH2-CG 3.26Å; R309-D311 IonicContact NH2-OD1 3.57Å; R309-D311 PolarHBondContact NH2-OD1 3.35Å; R309-D311 IonicContact NH2-OD2 3.56Å; R309-D311 PolarHBondContact NH2-OD2 2.78Å; R309-E312 HydrophobicContact CB-CG 4.13Å; R309-E312 PolarHBondContact O-N 2.94Å; R309-L313 PolarHBondContact O-N 3.34Å |
| 310 | S | 89.6 | Confident | 90.7 | Very high | 62 Ų | 62 | 74.3 Ų | 74.3 | 43% | 0.434 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69.7 | -32.5 | -179.5 | 55.7 | 0 | 0 | 0 | 0 | 113.6 | H296 E312 L313 T314 | H296-S310 PolarHBondContact CD2-N 2.75Å; H296-S310 PolarHBondContact NE2-N 3.41Å; S310-E312 VanDerWaalsContact C-N 3.34Å; S310-L313 PolarHBondContact O-N 3.4Å; S310-T314 WeakPolarHBondContact O-CB 3.25Å; S310-T314 PolarHBondContact O-N 3.42Å; S310-T314 PolarHBondContact O-OG1 2.75Å |
| 311 | D | 88.3 | Confident | 90.7 | Very high | 68 Ų | 68 | 74.4 Ų | 74.4 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -70.1 | -31.8 | 176.7 | 68.6 | -57 | 0 | 0 | 0 | 112.1 | R309 T314 R315 | R309-D311 WeakPolarHBondContact CB-OD1 3.48Å; R309-D311 IonicContact CZ-OD1 3.13Å; R309-D311 IonicContact CZ-OD2 3.98Å; R309-D311 IonicContact NE-OD1 2.75Å; R309-D311 PolarHBondContact NE-OD1 3.18Å; R309-D311 IonicContact NE-OD2 3.42Å; R309-D311 VanDerWaalsContact NH2-CG 3.26Å; R309-D311 IonicContact NH2-OD1 3.57Å; R309-D311 PolarHBondContact NH2-OD1 3.35Å; R309-D311 IonicContact NH2-OD2 3.56Å; R309-D311 PolarHBondContact NH2-OD2 2.78Å; D311-T314 PolarHBondContact O-N 3.42Å; D311-R315 VanDerWaalsContact O-CB 3.28Å; D311-R315 WeakPolarHBondContact O-CB 3.48Å; D311-R315 PolarHBondContact O-N 2.71Å |
| 312 | E | 91.4 | Very high | 91 | Very high | 52 Ų | 52 | 67.9 Ų | 67.9 | 24% | 0.243 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.4 | -43.7 | 172.7 | -65.2 | -170.3 | 152.8 | 0 | 0 | 112 | F307 R309 S310 R315 H316 | F307-E312 HydrophobicContact CB-CB 3.95Å; F307-E312 HydrophobicContact CD1-CB 3.65Å; F307-E312 HydrophobicContact CG-CB 4.02Å; R309-E312 HydrophobicContact CB-CG 4.13Å; R309-E312 PolarHBondContact O-N 2.94Å; S310-E312 VanDerWaalsContact C-N 3.34Å; E312-R315 PolarHBondContact O-N 3.14Å; E312-H316 WeakPolarHBondContact O-CB 3.41Å; E312-H316 PolarHBondContact O-N 2.9Å |
| 313 | L | 92.9 | Very high | 91.1 | Very high | 19 Ų | 19 | 63.1 Ų | 63.1 | 10% | 0.099 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 172 | 172.4 | 60.4 | 0 | 0 | 0 | 110.8 | H296 A297 C298 F307 R309 S310 R315 H316 L317 | H296-L313 HydrophobicContact CB-CB 4.04Å; H296-L313 HydrophobicContact CB-CD2 3.84Å; A297-L313 WeakPolarHBondContact O-CD2 3.44Å; C298-L313 HydrophobicContact CB-CD1 4.29Å; F307-L313 HydrophobicContact CB-CB 4.35Å; F307-L313 HydrophobicContact CD2-CB 3.8Å; F307-L313 HydrophobicContact CD2-CD1 3.93Å; F307-L313 HydrophobicContact CD2-CG 4.46Å; F307-L313 HydrophobicContact CE2-CD1 4.05Å; F307-L313 HydrophobicContact CG-CB 4.24Å; R309-L313 PolarHBondContact O-N 3.34Å; S310-L313 PolarHBondContact O-N 3.4Å; L313-R315 VanDerWaalsContact C-N 3.32Å; L313-R315 PolarHBondContact O-N 2.82Å; L313-H316 CarbonylContact O-C 3.23Å; L313-H316 WeakPolarHBondContact O-CA 3.32Å; L313-H316 WeakPolarHBondContact O-CB 3.46Å; L313-H316 PolarHBondContact O-N 3.17Å; L313-L317 HydrophobicContact CD1-CD1 4.35Å; L313-L317 HydrophobicContact CD1-CD2 4.5Å; L313-L317 HydrophobicContact CD1-CG 4.11Å; L313-L317 HydrophobicContact CG-CD1 4.22Å; L313-L317 HydrophobicContact CG-CG 4.45Å; L313-L317 WeakPolarHBondContact O-CG 3.31Å; L313-L317 PolarHBondContact O-N 2.95Å |
| 314 | T | 90.6 | Very high | 91.1 | Very high | 7 Ų | 7 | 68.1 Ų | 68.1 | 4% | 0.043 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56.5 | -45.8 | 177.4 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | P238 T241 S310 D311 H316 L317 | P238-T314 HydrophobicContact CB-CG2 4.27Å; P238-T314 WeakPolarHBondContact CB-OG1 3.46Å; P238-T314 HydrophobicContact CG-CG2 4.41Å; T241-T314 HydrophobicContact CG2-CG2 4.38Å; S310-T314 WeakPolarHBondContact O-CB 3.25Å; S310-T314 PolarHBondContact O-N 3.42Å; S310-T314 PolarHBondContact O-OG1 2.75Å; D311-T314 PolarHBondContact O-N 3.42Å; T314-H316 VanDerWaalsContact C-N 3.33Å; T314-L317 PolarHBondContact O-N 3.43Å |
| 315 | R | 90.4 | Very high | 91 | Very high | 95 Ų | 95 | 61.9 Ų | 61.9 | 36% | 0.358 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.8 | -36.6 | 175.6 | 178.2 | -177.9 | 61.2 | 175.7 | -7.1 | 111.9 | D311 E312 L313 R318 R337 | D311-R315 VanDerWaalsContact O-CB 3.28Å; D311-R315 WeakPolarHBondContact O-CB 3.48Å; D311-R315 PolarHBondContact O-N 2.71Å; E312-R315 PolarHBondContact O-N 3.14Å; L313-R315 VanDerWaalsContact C-N 3.32Å; L313-R315 PolarHBondContact O-N 2.82Å; R315-R318 WeakPolarHBondContact O-CB 3.39Å; R315-R337 HydrophobicContact CG-CG 4.13Å |
| 316 | H | 92.1 | Very high | 91 | Very high | 10 Ų | 10 | 56.4 Ų | 56.4 | 5% | 0.046 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.3 | -40.7 | 176.4 | 169.8 | 49.9 | 0 | 0 | 0 | 112.5 | C298 C303 F307 E312 L313 T314 R318 I319 H320 | C298-H316 PolarHBondContact SG-NE2 3.49Å; C303-H316 PolarHBondContact SG-NE2 3.15Å; F307-H316 HydrophobicContact CE1-CB 4.05Å; F307-H316 HydrophobicContact CE2-CB 3.86Å; F307-H316 AromaticContact CE2-CD2 3.31Å; F307-H316 WeakPolarHBondContact CE2-CD2 3.38Å; F307-H316 AromaticContact CE2-CG 3.72Å; F307-H316 HydrophobicContact CZ-CB 3.43Å; F307-H316 VanDerWaalsContact CZ-CB 3.43Å; F307-H316 AromaticContact CZ-CD2 3.4Å; F307-H316 WeakPolarHBondContact CZ-CD2 3.4Å; F307-H316 AromaticContact CZ-CG 3.34Å; E312-H316 WeakPolarHBondContact O-CB 3.41Å; E312-H316 PolarHBondContact O-N 2.9Å; L313-H316 CarbonylContact O-C 3.23Å; L313-H316 WeakPolarHBondContact O-CA 3.32Å; L313-H316 WeakPolarHBondContact O-CB 3.46Å; L313-H316 PolarHBondContact O-N 3.17Å; T314-H316 VanDerWaalsContact C-N 3.33Å; H316-R318 PolarHBondContact O-N 2.79Å; H316-R318 VanDerWaalsContact O-N 3.1Å; H316-I319 VanDerWaalsContact O-CB 3.25Å; H316-I319 WeakPolarHBondContact O-CB 3.47Å; H316-I319 WeakPolarHBondContact O-CG1 3.49Å; H316-I319 PolarHBondContact O-N 3.19Å; H316-H320 AromaticContact CD2-NE2 3.64Å; H316-H320 AromaticContact CE1-NE2 3.06Å; H316-H320 PolarHBondContact CE1-NE2 3.47Å; H316-H320 AromaticContact NE2-NE2 2.61Å; H316-H320 PolarHBondContact NE2-NE2 3.2Å |
| 317 | L | 91.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.4 | -25.9 | 177.3 | -72.7 | 169.3 | 0 | 0 | 0 | 113.3 | T241 I242 F245 P299 L313 T314 I319 H320 T321 | T241-L317 HydrophobicContact CG2-CB 3.99Å; I242-L317 HydrophobicContact CG1-CD1 3.65Å; F245-L317 HydrophobicContact CG-CD2 4.41Å; P299-L317 HydrophobicContact CG-CD2 4.15Å; L313-L317 HydrophobicContact CD1-CD1 4.35Å; L313-L317 HydrophobicContact CD1-CD2 4.5Å; L313-L317 HydrophobicContact CD1-CG 4.11Å; L313-L317 HydrophobicContact CG-CD1 4.22Å; L313-L317 HydrophobicContact CG-CG 4.45Å; L313-L317 WeakPolarHBondContact O-CG 3.31Å; L313-L317 PolarHBondContact O-N 2.95Å; T314-L317 PolarHBondContact O-N 3.43Å; L317-I319 PolarHBondContact O-N 2.94Å; L317-H320 PolarHBondContact O-N 3.23Å; L317-H320 VanDerWaalsContact O-N 3.1Å; L317-T321 PolarHBondContact O-N 3.37Å; L317-T321 PolarHBondContact O-OG1 2.85Å |
| 318 | R | 92 | Very high | 91.2 | Very high | 35 Ų | 35 | 53.7 Ų | 53.7 | 13% | 0.132 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62 | -21.7 | 173.2 | -61.1 | 179.7 | -172.9 | 172.4 | 0.1 | 113.8 | T241 R315 H316 T321 G322 H323 S336 | T241-R318 HydrophobicContact CG2-CG 4.3Å; R315-R318 WeakPolarHBondContact O-CB 3.39Å; H316-R318 PolarHBondContact O-N 2.79Å; H316-R318 VanDerWaalsContact O-N 3.1Å; R318-T321 WeakPolarHBondContact CA-OG1 3.41Å; R318-G322 CarbonylContact O-C 3.6Å; R318-G322 WeakPolarHBondContact O-CA 3.35Å; R318-G322 PolarHBondContact O-N 2.94Å; R318-G322 VanDerWaalsContact O-N 3.14Å; R318-H323 HydrophobicContact CG-CB 4.42Å; R318-H323 PolarHBondContact O-N 2.94Å; R318-S336 WeakPolarHBondContact CD-O 3.36Å; R318-S336 PolarHBondContact NH1-O 3.34Å |
| 319 | I | 90.4 | Very high | 91.3 | Very high | 115 Ų | 115 | 61.1 Ų | 61.1 | 59% | 0.59 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -69.6 | -44.7 | 173.4 | -57.9 | 178.8 | 0 | 0 | 0 | 109.6 | H316 L317 | H316-I319 VanDerWaalsContact O-CB 3.25Å; H316-I319 WeakPolarHBondContact O-CB 3.47Å; H316-I319 WeakPolarHBondContact O-CG1 3.49Å; H316-I319 PolarHBondContact O-N 3.19Å; L317-I319 PolarHBondContact O-N 2.94Å |
| 320 | H | 90.1 | Very high | 91.5 | Very high | 80 Ų | 80 | 59.3 Ų | 59.3 | 37% | 0.37 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -73 | -40.4 | 179.2 | -59.8 | -57.7 | 0 | 0 | 0 | 112.8 | F245 C298 C303 H316 L317 G322 | F245-H320 HydrophobicContact CD2-CB 4.19Å; F245-H320 HydrophobicContact CE2-CB 3.84Å; C298-H320 PolarHBondContact SG-NE2 3.28Å; C303-H320 WeakPolarHBondContact CB-CE1 3.47Å; C303-H320 WeakPolarHBondContact CB-NE2 3.39Å; C303-H320 PolarHBondContact SG-CE1 2.94Å; C303-H320 PolarHBondContact SG-NE2 3.48Å; H316-H320 AromaticContact CD2-NE2 3.64Å; H316-H320 AromaticContact CE1-NE2 3.06Å; H316-H320 PolarHBondContact CE1-NE2 3.47Å; H316-H320 AromaticContact NE2-NE2 2.61Å; H316-H320 PolarHBondContact NE2-NE2 3.2Å; L317-H320 PolarHBondContact O-N 3.23Å; L317-H320 VanDerWaalsContact O-N 3.1Å; H320-G322 VanDerWaalsContact C-N 3.34Å |
| 321 | T | 88.6 | Confident | 91.7 | Very high | 17 Ų | 17 | 59.3 Ų | 59.3 | 10% | 0.104 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -80.3 | -14.5 | -179 | 57.9 | 0 | 0 | 0 | 0 | 114.1 | F245 K248 L317 R318 H323 | F245-T321 HydrophobicContact CB-CG2 3.86Å; F245-T321 HydrophobicContact CD2-CG2 3.92Å; F245-T321 HydrophobicContact CG-CG2 4.4Å; K248-T321 PolarHBondContact NZ-O 3.4Å; K248-T321 VanDerWaalsContact NZ-O 3.12Å; L317-T321 PolarHBondContact O-N 3.37Å; L317-T321 PolarHBondContact O-OG1 2.85Å; R318-T321 WeakPolarHBondContact CA-OG1 3.41Å; T321-H323 PolarHBondContact O-N 3.4Å; T321-H323 WeakPolarHBondContact OG1-CB 3.49Å; T321-H323 PolarHBondContact OG1-N 2.85Å |
| 322 | G | 88.9 | Confident | 92 | Very high | 47 Ų | 47 | 61.5 Ų | 61.5 | 49% | 0.485 | 30% | 0.3 | S | S | . | . | trans | 73.2 | 6.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R318 H320 K324 | R318-G322 CarbonylContact O-C 3.6Å; R318-G322 WeakPolarHBondContact O-CA 3.35Å; R318-G322 PolarHBondContact O-N 2.94Å; R318-G322 VanDerWaalsContact O-N 3.14Å; H320-G322 VanDerWaalsContact C-N 3.34Å; G322-K324 PolarHBondContact O-N 2.91Å | ||
| 323 | H | 90.4 | Very high | 92.2 | Very high | 57 Ų | 57 | 66.4 Ų | 66.4 | 26% | 0.264 | 32% | 0.317 | S | S | . | . | trans | -69.8 | 121.4 | -168.2 | -178.6 | -133.8 | 0 | 0 | 0 | 113.2 | R318 T321 | R318-H323 HydrophobicContact CG-CB 4.42Å; R318-H323 PolarHBondContact O-N 2.94Å; T321-H323 PolarHBondContact O-N 3.4Å; T321-H323 WeakPolarHBondContact OG1-CB 3.49Å; T321-H323 PolarHBondContact OG1-N 2.85Å | ||
| 324 | K | 91.6 | Very high | 92.2 | Very high | 122 Ų | 122 | 67.4 Ų | 67.4 | 53% | 0.53 | 33% | 0.325 | S | S | . | . | trans | -128.1 | 77 | -174.2 | -70.9 | 171.4 | 178.1 | -175.9 | 0 | 111.6 | G322 F326 F335 | G322-K324 PolarHBondContact O-N 2.91Å; K324-F326 VanDerWaalsContact C-N 3.28Å; K324-F326 PolarHBondContact O-N 3.04Å; K324-F335 CarbonylContact C-O 3.58Å; K324-F335 VanDerWaalsContact C-O 3.23Å; K324-F335 VanDerWaalsContact CA-O 3.3Å; K324-F335 WeakPolarHBondContact CA-O 3.48Å | ||
| 325 | P | 89.6 | Confident | 92.3 | Very high | 32 Ų | 32 | 68.7 Ų | 68.7 | 21% | 0.208 | 33% | 0.33 | C | S | . | . | trans | -74.5 | -9.1 | -172.1 | 28.7 | -34.7 | 0 | 0 | 0 | 115 | I236 | I236-P325 HydrophobicContact CD1-CB 4.41Š| ||
| 326 | F | 93.5 | Very high | 92.4 | Very high | 27 Ų | 27 | 65.9 Ų | 65.9 | 12% | 0.118 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 100.1 | -175.7 | -57.9 | -75.4 | 0 | 0 | 0 | 111 | V231 P233 K324 S334 F335 S338 L341 | V231-F326 HydrophobicContact CG1-CD1 4.07Å; P233-F326 HydrophobicContact CG-CD1 3.99Å; P233-F326 HydrophobicContact CG-CE1 4.11Å; K324-F326 VanDerWaalsContact C-N 3.28Å; K324-F326 PolarHBondContact O-N 3.04Å; F326-S334 CarbonylContact O-C 3.55Å; F326-S334 WeakPolarHBondContact O-CA 3.44Å; F326-F335 HydrophobicContact CB-CB 4.34Å; F326-F335 PolarHBondContact N-O 2.93Å; F326-F335 VanDerWaalsContact N-O 3.09Å; F326-F335 PolarHBondContact O-N 3.41Å; F326-S338 VanDerWaalsContact CD2-N 3.33Å; F326-L341 HydrophobicContact CB-CB 4.1Å; F326-L341 HydrophobicContact CB-CD2 3.82Å |
| 327 | Q | 95.4 | Very high | 92.4 | Very high | 97 Ų | 97 | 68.8 Ų | 68.8 | 45% | 0.453 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 137.3 | -179.2 | -166.9 | 168.1 | 36.1 | 0 | 0 | 112.7 | M332 L341 | Q327-M332 WeakPolarHBondContact CG-O 3.41Å; Q327-M332 PolarHBondContact NE2-O 3.43Å; Q327-L341 WeakPolarHBondContact O-CD2 3.21Å |
| 328 | C | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | trans | -75.5 | 123.6 | 169.7 | -175.2 | 0 | 0 | 0 | 0 | 110.6 | I330 M332 R333 F335 L341 | C328-I330 PolarHBondContact O-N 2.89Å; C328-M332 WeakPolarHBondContact O-CA 3.43Å; C328-M332 PolarHBondContact O-N 3.36Å; C328-R333 WeakPolarHBondContact CB-O 3.28Å; C328-R333 PolarHBondContact N-O 3.43Å; C328-F335 HydrophobicContact CB-CE2 4.39Å; C328-L341 HydrophobicContact CB-CD1 3.68Å | ||
| 329 | R | 94.4 | Very high | 92.4 | Very high | 202 Ų | 202 | 72.9 Ų | 72.9 | 76% | 0.762 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -13.8 | 178.3 | -60.7 | -175.8 | -174.4 | 171.6 | 1.4 | 114.3 | ||
| 330 | I | 94.4 | Very high | 92.6 | Very high | 101 Ų | 101 | 70.8 Ų | 70.8 | 52% | 0.518 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -41.9 | -175.1 | -57.3 | 172.5 | 0 | 0 | 0 | 111.3 | C328 H348 | C328-I330 PolarHBondContact O-N 2.89Å; I330-H348 HydrophobicContact CD1-CB 3.55Å; I330-H348 HydrophobicContact CG2-CB 4.36Å |
| 331 | C | 95.2 | Very high | 92.8 | Very high | 61 Ų | 61 | 67.1 Ų | 67.1 | 41% | 0.412 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.3 | 12.7 | -178.3 | 67.6 | 0 | 0 | 0 | 0 | 114.2 | R333 H344 | C331-R333 PolarHBondContact O-N 2.88Å; C331-H344 PolarHBondContact SG-NE2 2.94Å |
| 332 | M | 93.9 | Very high | 93.1 | Very high | 114 Ų | 114 | 69.3 Ų | 69.3 | 56% | 0.562 | 35% | 0.348 | S | S | * | . | trans | 56.3 | 8.9 | 178.8 | -57.2 | -55.6 | -81.5 | 0 | 0 | 116.3 | Q327 C328 | Q327-M332 WeakPolarHBondContact CG-O 3.41Å; Q327-M332 PolarHBondContact NE2-O 3.43Å; C328-M332 WeakPolarHBondContact O-CA 3.43Å; C328-M332 PolarHBondContact O-N 3.36Å | ||
| 333 | R | 94.9 | Very high | 93.3 | Very high | 156 Ų | 156 | 68.9 Ų | 68.9 | 59% | 0.589 | 34% | 0.337 | S | S | * | . | trans | -69.4 | 129.2 | 176.7 | -171.4 | 171.5 | -178.1 | 163.6 | 1.3 | 111.2 | C328 C331 F335 | C328-R333 WeakPolarHBondContact CB-O 3.28Å; C328-R333 PolarHBondContact N-O 3.43Å; C331-R333 PolarHBondContact O-N 2.88Å; R333-F335 HydrophobicContact CB-CE2 4.14Å; R333-F335 HydrophobicContact CB-CZ 4.4Å; R333-F335 HydrophobicContact CG-CE2 3.99Å; R333-F335 HydrophobicContact CG-CZ 3.89Å; R333-F335 WeakPolarHBondContact O-CD2 3.39Å; R333-F335 VanDerWaalsContact O-CE2 3.27Å; R333-F335 WeakPolarHBondContact O-CE2 3.47Å | ||
| 334 | S | 94.3 | Very high | 93.5 | Very high | 40 Ų | 40 | 67.5 Ų | 67.5 | 28% | 0.28 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 145.8 | -178.1 | -54.2 | 0 | 0 | 0 | 0 | 113.7 | F326 | F326-S334 CarbonylContact O-C 3.55Å; F326-S334 WeakPolarHBondContact O-CA 3.44Å |
| 335 | F | 92.9 | Very high | 93.6 | Very high | 33 Ų | 33 | 62.8 Ų | 62.8 | 15% | 0.145 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 148.9 | -175.3 | -60.1 | -92.2 | 0 | 0 | 0 | 111 | K324 F326 C328 R333 R337 H340 L341 H344 | K324-F335 CarbonylContact C-O 3.58Å; K324-F335 VanDerWaalsContact C-O 3.23Å; K324-F335 VanDerWaalsContact CA-O 3.3Å; K324-F335 WeakPolarHBondContact CA-O 3.48Å; F326-F335 HydrophobicContact CB-CB 4.34Å; F326-F335 PolarHBondContact N-O 2.93Å; F326-F335 VanDerWaalsContact N-O 3.09Å; F326-F335 PolarHBondContact O-N 3.41Å; C328-F335 HydrophobicContact CB-CE2 4.39Å; R333-F335 HydrophobicContact CB-CE2 4.14Å; R333-F335 HydrophobicContact CB-CZ 4.4Å; R333-F335 HydrophobicContact CG-CE2 3.99Å; R333-F335 HydrophobicContact CG-CZ 3.89Å; R333-F335 WeakPolarHBondContact O-CD2 3.39Å; R333-F335 VanDerWaalsContact O-CE2 3.27Å; R333-F335 WeakPolarHBondContact O-CE2 3.47Å; F335-R337 VanDerWaalsContact C-N 3.31Å; F335-H340 HydrophobicContact CB-CB 4.44Å; F335-H340 HydrophobicContact CD1-CB 4.03Å; F335-L341 HydrophobicContact CB-CB 4.39Å; F335-L341 HydrophobicContact CD2-CB 4.01Å; F335-L341 HydrophobicContact CD2-CD1 3.95Å; F335-L341 HydrophobicContact CE2-CD1 4.08Å; F335-L341 HydrophobicContact CG-CB 4.32Å; F335-H344 HydrophobicContact CE1-CB 4.08Å; F335-H344 HydrophobicContact CE2-CB 4.07Å; F335-H344 AromaticContact CE2-CD2 3.34Å; F335-H344 WeakPolarHBondContact CE2-CD2 3.36Å; F335-H344 AromaticContact CE2-CG 3.81Å; F335-H344 HydrophobicContact CZ-CB 3.57Å; F335-H344 AromaticContact CZ-CD2 3.34Å; F335-H344 WeakPolarHBondContact CZ-CD2 3.45Å; F335-H344 AromaticContact CZ-CG 3.35Å |
| 336 | S | 92.3 | Very high | 93.9 | Very high | 36 Ų | 36 | 63.4 Ų | 63.4 | 25% | 0.252 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -80.1 | -11.6 | 177.5 | 55 | 0 | 0 | 0 | 0 | 113.8 | R318 | R318-S336 WeakPolarHBondContact CD-O 3.36Å; R318-S336 PolarHBondContact NH1-O 3.34Å |
| 337 | R | 91.1 | Very high | 93.9 | Very high | 71 Ų | 71 | 66.8 Ų | 66.8 | 27% | 0.268 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -139.5 | 144.4 | -176.9 | -63.4 | 166 | 52.6 | 167.7 | -0.2 | 111.8 | R315 F335 D339 H340 L341 | R315-R337 HydrophobicContact CG-CG 4.13Å; F335-R337 VanDerWaalsContact C-N 3.31Å; R337-D339 VanDerWaalsContact CB-OD1 3.25Å; R337-D339 WeakPolarHBondContact CB-OD1 3.21Å; R337-D339 IonicContact CZ-OD1 3.62Å; R337-D339 IonicContact CZ-OD2 3.19Å; R337-D339 IonicContact NE-OD1 2.79Å; R337-D339 PolarHBondContact NE-OD1 3.35Å; R337-D339 IonicContact NE-OD2 2.82Å; R337-D339 VanDerWaalsContact NH2-CG 3.28Å; R337-D339 IonicContact NH2-OD1 3.18Å; R337-D339 PolarHBondContact NH2-OD1 3.35Å; R337-D339 VanDerWaalsContact NH2-OD1 3.14Å; R337-D339 IonicContact NH2-OD2 3.14Å; R337-D339 PolarHBondContact NH2-OD2 3.42Å; R337-H340 HydrophobicContact CB-CB 4.41Å; R337-H340 WeakPolarHBondContact CD-NE2 3.37Å; R337-H340 PolarHBondContact NE-NE2 2.89Å; R337-H340 PolarHBondContact NH1-NE2 3.34Å; R337-L341 PolarHBondContact O-N 3.28Å |
| 338 | S | 92.6 | Very high | 93.8 | Very high | 55 Ų | 55 | 65.8 Ų | 65.8 | 39% | 0.385 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.4 | -42.8 | 178.8 | 47.7 | 0 | 0 | 0 | 0 | 112.5 | F326 H340 L341 T342 | F326-S338 VanDerWaalsContact CD2-N 3.33Å; S338-H340 VanDerWaalsContact C-N 3.25Å; S338-H340 PolarHBondContact O-N 2.84Å; S338-L341 CarbonylContact O-C 3.22Å; S338-L341 WeakPolarHBondContact O-CA 3.46Å; S338-L341 WeakPolarHBondContact O-CB 3.14Å; S338-L341 PolarHBondContact O-N 3.17Å; S338-T342 PolarHBondContact O-N 2.86Å; S338-T342 PolarHBondContact O-OG1 3.31Å |
| 339 | D | 91.3 | Very high | 93.7 | Very high | 67 Ų | 67 | 69.2 Ų | 69.2 | 36% | 0.358 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.9 | -35.7 | 179.9 | 68.8 | -61.7 | 0 | 0 | 0 | 112.3 | R337 T342 T343 | R337-D339 VanDerWaalsContact CB-OD1 3.25Å; R337-D339 WeakPolarHBondContact CB-OD1 3.21Å; R337-D339 IonicContact CZ-OD1 3.62Å; R337-D339 IonicContact CZ-OD2 3.19Å; R337-D339 IonicContact NE-OD1 2.79Å; R337-D339 PolarHBondContact NE-OD1 3.35Å; R337-D339 IonicContact NE-OD2 2.82Å; R337-D339 VanDerWaalsContact NH2-CG 3.28Å; R337-D339 IonicContact NH2-OD1 3.18Å; R337-D339 PolarHBondContact NH2-OD1 3.35Å; R337-D339 VanDerWaalsContact NH2-OD1 3.14Å; R337-D339 IonicContact NH2-OD2 3.14Å; R337-D339 PolarHBondContact NH2-OD2 3.42Å; D339-T342 PolarHBondContact O-N 3.05Å; D339-T343 WeakPolarHBondContact O-CG2 3.44Å; D339-T343 PolarHBondContact O-N 3.44Å; D339-T343 PolarHBondContact O-OG1 3.03Å |
| 340 | H | 93.7 | Very high | 93.6 | Very high | 71 Ų | 71 | 61.7 Ų | 61.7 | 33% | 0.329 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66 | -44 | 173.3 | -65 | -7.8 | 0 | 0 | 0 | 111.8 | F335 R337 S338 T343 H344 | F335-H340 HydrophobicContact CB-CB 4.44Å; F335-H340 HydrophobicContact CD1-CB 4.03Å; R337-H340 HydrophobicContact CB-CB 4.41Å; R337-H340 WeakPolarHBondContact CD-NE2 3.37Å; R337-H340 PolarHBondContact NE-NE2 2.89Å; R337-H340 PolarHBondContact NH1-NE2 3.34Å; S338-H340 VanDerWaalsContact C-N 3.25Å; S338-H340 PolarHBondContact O-N 2.84Å; H340-T343 WeakPolarHBondContact CA-OG1 3.45Å; H340-T343 PolarHBondContact O-N 2.98Å; H340-T343 PolarHBondContact O-OG1 3.08Å; H340-H344 WeakPolarHBondContact O-CB 3.39Å; H340-H344 PolarHBondContact O-N 3.1Å |
| 341 | L | 95.5 | Very high | 93.5 | Very high | 4 Ų | 4 | 61.7 Ų | 61.7 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 172.8 | 172.4 | 59.5 | 0 | 0 | 0 | 111.5 | V231 F326 Q327 C328 F335 R337 S338 T343 H344 I345 | V231-L341 HydrophobicContact CG1-CD2 3.84Å; V231-L341 HydrophobicContact CG2-CD2 4.36Å; F326-L341 HydrophobicContact CB-CB 4.1Å; F326-L341 HydrophobicContact CB-CD2 3.82Å; Q327-L341 WeakPolarHBondContact O-CD2 3.21Å; C328-L341 HydrophobicContact CB-CD1 3.68Å; F335-L341 HydrophobicContact CB-CB 4.39Å; F335-L341 HydrophobicContact CD2-CB 4.01Å; F335-L341 HydrophobicContact CD2-CD1 3.95Å; F335-L341 HydrophobicContact CE2-CD1 4.08Å; F335-L341 HydrophobicContact CG-CB 4.32Å; R337-L341 PolarHBondContact O-N 3.28Å; S338-L341 CarbonylContact O-C 3.22Å; S338-L341 WeakPolarHBondContact O-CA 3.46Å; S338-L341 WeakPolarHBondContact O-CB 3.14Å; S338-L341 PolarHBondContact O-N 3.17Å; L341-T343 PolarHBondContact O-N 2.91Å; L341-H344 CarbonylContact O-C 3.48Å; L341-H344 WeakPolarHBondContact O-CB 3.25Å; L341-H344 PolarHBondContact O-N 2.87Å; L341-H344 VanDerWaalsContact O-N 3.1Å; L341-I345 HydrophobicContact CD1-CD1 3.96Å; L341-I345 HydrophobicContact CD1-CG1 4.01Å; L341-I345 HydrophobicContact CG-CD1 3.94Å; L341-I345 HydrophobicContact CG-CG1 4.46Å; L341-I345 WeakPolarHBondContact O-CG1 3.38Å; L341-I345 PolarHBondContact O-N 3.17Å |
| 342 | T | 94.2 | Very high | 93.4 | Very high | 62 Ų | 62 | 64.6 Ų | 64.6 | 38% | 0.38 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 176.9 | -54.3 | 0 | 0 | 0 | 0 | 111.7 | S338 D339 H344 I345 | S338-T342 PolarHBondContact O-N 2.86Å; S338-T342 PolarHBondContact O-OG1 3.31Å; D339-T342 PolarHBondContact O-N 3.05Å; T342-H344 VanDerWaalsContact C-N 3.28Å; T342-H344 PolarHBondContact O-N 3.18Å; T342-I345 PolarHBondContact O-N 2.82Å |
| 343 | T | 93.8 | Very high | 93.3 | Very high | 39 Ų | 39 | 62.5 Ų | 62.5 | 24% | 0.239 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.7 | -28.5 | 175.4 | 55.5 | 0 | 0 | 0 | 0 | 113.4 | D339 H340 L341 R365 | D339-T343 WeakPolarHBondContact O-CG2 3.44Å; D339-T343 PolarHBondContact O-N 3.44Å; D339-T343 PolarHBondContact O-OG1 3.03Å; H340-T343 WeakPolarHBondContact CA-OG1 3.45Å; H340-T343 PolarHBondContact O-N 2.98Å; H340-T343 PolarHBondContact O-OG1 3.08Å; L341-T343 PolarHBondContact O-N 2.91Å; T343-R365 HydrophobicContact CG2-CG 3.84Å |
| 344 | H | 94.1 | Very high | 93.3 | Very high | 27 Ų | 27 | 58 Ų | 58 | 13% | 0.125 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -74 | -37.3 | 173.9 | 171.2 | 54.1 | 0 | 0 | 0 | 112.4 | C331 F335 H340 L341 T342 R346 T347 H348 | C331-H344 PolarHBondContact SG-NE2 2.94Å; F335-H344 HydrophobicContact CE1-CB 4.08Å; F335-H344 HydrophobicContact CE2-CB 4.07Å; F335-H344 AromaticContact CE2-CD2 3.34Å; F335-H344 WeakPolarHBondContact CE2-CD2 3.36Å; F335-H344 AromaticContact CE2-CG 3.81Å; F335-H344 HydrophobicContact CZ-CB 3.57Å; F335-H344 AromaticContact CZ-CD2 3.34Å; F335-H344 WeakPolarHBondContact CZ-CD2 3.45Å; F335-H344 AromaticContact CZ-CG 3.35Å; H340-H344 WeakPolarHBondContact O-CB 3.39Å; H340-H344 PolarHBondContact O-N 3.1Å; L341-H344 CarbonylContact O-C 3.48Å; L341-H344 WeakPolarHBondContact O-CB 3.25Å; L341-H344 PolarHBondContact O-N 2.87Å; L341-H344 VanDerWaalsContact O-N 3.1Å; T342-H344 VanDerWaalsContact C-N 3.28Å; T342-H344 PolarHBondContact O-N 3.18Å; H344-R346 PolarHBondContact O-N 2.94Å; H344-T347 PolarHBondContact ND1-OG1 3.21Å; H344-T347 WeakPolarHBondContact O-CB 3.48Å; H344-T347 PolarHBondContact O-N 3.13Å; H344-T347 PolarHBondContact O-OG1 2.8Å; H344-H348 AromaticContact CE1-NE2 3.31Å; H344-H348 PolarHBondContact CE1-NE2 2.85Å; H344-H348 VanDerWaalsContact CE1-NE2 3.31Å; H344-H348 AromaticContact NE2-CD2 3.92Å; H344-H348 AromaticContact NE2-NE2 3.15Å; H344-H348 PolarHBondContact NE2-NE2 3.1Å; H344-H348 VanDerWaalsContact NE2-NE2 3.15Å |
| 345 | I | 94.8 | Very high | 93.3 | Very high | 23 Ų | 23 | 59 Ų | 59 | 12% | 0.118 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.8 | -35.1 | 175.8 | -72.6 | 163.6 | 0 | 0 | 0 | 111.1 | I229 V231 L341 T342 T347 H348 T349 | I229-I345 HydrophobicContact CD1-CD1 4.2Å; I229-I345 HydrophobicContact CD1-CG2 4.07Å; V231-I345 HydrophobicContact CG2-CD1 4.49Å; L341-I345 HydrophobicContact CD1-CD1 3.96Å; L341-I345 HydrophobicContact CD1-CG1 4.01Å; L341-I345 HydrophobicContact CG-CD1 3.94Å; L341-I345 HydrophobicContact CG-CG1 4.46Å; L341-I345 WeakPolarHBondContact O-CG1 3.38Å; L341-I345 PolarHBondContact O-N 3.17Å; T342-I345 PolarHBondContact O-N 2.82Å; I345-T347 PolarHBondContact O-N 3.15Å; I345-H348 WeakPolarHBondContact O-CB 3.48Å; I345-H348 PolarHBondContact O-N 2.93Å; I345-T349 HydrophobicContact CG2-CG2 4.27Å; I345-T349 PolarHBondContact O-N 3.23Å; I345-T349 VanDerWaalsContact O-N 3.08Å |
| 346 | R | 94.8 | Very high | 93.4 | Very high | 45 Ų | 45 | 57.6 Ų | 57.6 | 17% | 0.17 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.7 | -17.6 | 173.6 | -62.4 | -174.4 | 179 | 137.1 | 8.4 | 114.8 | H344 H348 G350 E351 A364 | H344-R346 PolarHBondContact O-N 2.94Å; R346-H348 VanDerWaalsContact C-N 3.29Å; R346-G350 WeakPolarHBondContact O-CA 3.3Å; R346-G350 PolarHBondContact O-N 2.94Å; R346-E351 HydrophobicContact CB-CB 4.36Å; R346-E351 HydrophobicContact CG-CB 4.05Å; R346-A364 HydrophobicContact CB-CB 4.41Å; R346-A364 WeakPolarHBondContact CD-O 3.44Å; R346-A364 PolarHBondContact NH1-O 3.1Å |
| 347 | T | 93.9 | Very high | 93.5 | Very high | 99 Ų | 99 | 63.1 Ų | 63.1 | 61% | 0.607 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -75.7 | -21.2 | 171.6 | 72.3 | 0 | 0 | 0 | 0 | 112.3 | H344 I345 | H344-T347 PolarHBondContact ND1-OG1 3.21Å; H344-T347 WeakPolarHBondContact O-CB 3.48Å; H344-T347 PolarHBondContact O-N 3.13Å; H344-T347 PolarHBondContact O-OG1 2.8Å; I345-T347 PolarHBondContact O-N 3.15Å |
| 348 | H | 93.1 | Very high | 93.5 | Very high | 75 Ų | 75 | 65.4 Ų | 65.4 | 35% | 0.347 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -89.8 | -42.8 | 173.6 | -59 | -69.8 | 0 | 0 | 0 | 111.7 | I330 H344 I345 R346 | I330-H348 HydrophobicContact CD1-CB 3.55Å; I330-H348 HydrophobicContact CG2-CB 4.36Å; H344-H348 AromaticContact CE1-NE2 3.31Å; H344-H348 PolarHBondContact CE1-NE2 2.85Å; H344-H348 VanDerWaalsContact CE1-NE2 3.31Å; H344-H348 AromaticContact NE2-CD2 3.92Å; H344-H348 AromaticContact NE2-NE2 3.15Å; H344-H348 PolarHBondContact NE2-NE2 3.1Å; H344-H348 VanDerWaalsContact NE2-NE2 3.15Å; I345-H348 WeakPolarHBondContact O-CB 3.48Å; I345-H348 PolarHBondContact O-N 2.93Å; R346-H348 VanDerWaalsContact C-N 3.29Å |
| 349 | T | 92.8 | Very high | 93.5 | Very high | 72 Ų | 72 | 65.8 Ų | 65.8 | 44% | 0.442 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -80.9 | -14.8 | 179.7 | 67 | 0 | 0 | 0 | 0 | 113.9 | I345 E351 | I345-T349 HydrophobicContact CG2-CG2 4.27Å; I345-T349 PolarHBondContact O-N 3.23Å; I345-T349 VanDerWaalsContact O-N 3.08Å; T349-E351 PolarHBondContact O-N 3.43Å; T349-E351 WeakPolarHBondContact OG1-CG 3.34Å; T349-E351 PolarHBondContact OG1-OE1 2.9Å |
| 350 | G | 91.8 | Very high | 93.5 | Very high | 45 Ų | 45 | 64.9 Ų | 64.9 | 46% | 0.464 | 36% | 0.361 | S | S | . | . | trans | 72.8 | 2.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | R346 K352 | R346-G350 WeakPolarHBondContact O-CA 3.3Å; R346-G350 PolarHBondContact O-N 2.94Å; G350-K352 PolarHBondContact O-N 3.32Å | ||
| 351 | E | 92.8 | Very high | 93.5 | Very high | 100 Ų | 100 | 69.1 Ų | 69.1 | 47% | 0.467 | 37% | 0.374 | S | S | . | . | trans | -57.2 | 131.7 | -178.3 | -83 | 169.7 | -130.4 | 0 | 0 | 113.4 | R346 T349 | R346-E351 HydrophobicContact CB-CB 4.36Å; R346-E351 HydrophobicContact CG-CB 4.05Å; T349-E351 PolarHBondContact O-N 3.43Å; T349-E351 WeakPolarHBondContact OG1-CG 3.34Å; T349-E351 PolarHBondContact OG1-OE1 2.9Å | ||
| 352 | K | 93 | Very high | 93.5 | Very high | 123 Ų | 123 | 75.7 Ų | 75.7 | 54% | 0.535 | 40% | 0.402 | S | S | . | . | trans | -131 | 78.2 | 177.1 | -67.2 | 168.2 | -169.9 | 167.5 | 0 | 110.6 | G350 F354 K362 F363 | G350-K352 PolarHBondContact O-N 3.32Å; K352-F354 PolarHBondContact O-N 2.9Å; K352-K362 HydrophobicContact CB-CB 3.66Å; K352-F363 CarbonylContact C-O 3.23Å; K352-F363 VanDerWaalsContact C-O 3.22Å; K352-F363 VanDerWaalsContact CA-O 3.23Å; K352-F363 WeakPolarHBondContact CA-O 3.46Å | ||
| 353 | P | 91.9 | Very high | 93.4 | Very high | 70 Ų | 70 | 74 Ų | 74 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | trans | -68.3 | -18.3 | -173.2 | -21.2 | 34.5 | 0 | 0 | 0 | 114.4 | ||||
| 354 | F | 94.8 | Very high | 93.3 | Very high | 60 Ų | 60 | 73.1 Ų | 73.1 | 26% | 0.263 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 97.1 | -168.9 | -59.1 | -71.9 | 0 | 0 | 0 | 111.7 | K352 K362 F363 R369 | K352-F354 PolarHBondContact O-N 2.9Å; F354-K362 CarbonylContact O-C 3.53Å; F354-K362 WeakPolarHBondContact O-CA 3.45Å; F354-F363 HydrophobicContact CB-CB 4.31Å; F354-F363 PolarHBondContact N-O 3Å; F354-F363 VanDerWaalsContact N-O 3.15Å; F354-F363 PolarHBondContact O-N 2.62Å; F354-R369 HydrophobicContact CB-CB 4.04Å; F354-R369 HydrophobicContact CB-CG 4.41Å |
| 355 | S | 94.7 | Very high | 93.2 | Very high | 63 Ų | 63 | 76.1 Ų | 76.1 | 44% | 0.441 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 138 | 173.3 | 48.5 | 0 | 0 | 0 | 0 | 112.4 | R369 | S355-R369 WeakPolarHBondContact O-CD 3.46Å |
| 356 | C | 95.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 77 Ų | 77 | 1% | 0.014 | 41% | 0.405 | C | S | . | . | trans | -75.4 | 123.5 | 168.7 | -175 | 0 | 0 | 0 | 0 | 110.5 | F358 C359 G360 R361 F363 | C356-F358 VanDerWaalsContact C-N 3.25Å; C356-F358 PolarHBondContact O-N 3.06Å; C356-C359 PolarHBondContact O-N 3.34Å; C356-C359 VanDerWaalsContact SG-SG 3.66Å; C356-G360 WeakPolarHBondContact O-CA 3.35Å; C356-G360 PolarHBondContact O-N 2.99Å; C356-R361 PolarHBondContact N-O 2.61Å; C356-F363 HydrophobicContact CB-CE2 4.26Å | ||
| 357 | E | 92.8 | Very high | 93.1 | Very high | 153 Ų | 153 | 78.5 Ų | 78.5 | 72% | 0.715 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -31.9 | 179.5 | -67.8 | 146.4 | -129.4 | 0 | 0 | 112.7 | R369 | E357-R369 IonicContact OE1-CZ 3.73Å; E357-R369 IonicContact OE1-NH1 2.63Å; E357-R369 PolarHBondContact OE1-NH1 3.14Å; E357-R369 IonicContact OE1-NH2 3.95Å |
| 358 | F | 91.3 | Very high | 93 | Very high | 119 Ų | 119 | 75.9 Ų | 75.9 | 52% | 0.522 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -19.7 | -177.4 | -59 | -70 | 0 | 0 | 0 | 115.1 | C356 A373 H376 | C356-F358 VanDerWaalsContact C-N 3.25Å; C356-F358 PolarHBondContact O-N 3.06Å; F358-A373 HydrophobicContact CE2-CB 4.38Å; F358-H376 HydrophobicContact CB-CB 3.95Å; F358-H376 HydrophobicContact CD1-CB 4.38Å; F358-H376 HydrophobicContact CD2-CB 3.71Å; F358-H376 AromaticContact CD2-CD2 3.89Å; F358-H376 AromaticContact CD2-CG 3.96Å; F358-H376 HydrophobicContact CE2-CB 4.31Å; F358-H376 HydrophobicContact CG-CB 3.75Å; F358-H376 AromaticContact CG-CG 3.9Å |
| 359 | C | 93.8 | Very high | 93.1 | Very high | 63 Ų | 63 | 75 Ų | 75 | 43% | 0.426 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -152.6 | 9.1 | -170.7 | 69.2 | 0 | 0 | 0 | 0 | 115.5 | C356 R361 H372 H376 | C356-C359 PolarHBondContact O-N 3.34Å; C356-C359 VanDerWaalsContact SG-SG 3.66Å; C359-R361 PolarHBondContact O-N 3.45Å; C359-H372 PolarHBondContact SG-NE2 3.22Å; C359-H376 PolarHBondContact SG-NE2 3.31Å; C359-H376 VanDerWaalsContact SG-NE2 3.42Å |
| 360 | G | 90.6 | Very high | 93.2 | Very high | 48 Ų | 48 | 77.3 Ų | 77.3 | 50% | 0.495 | 40% | 0.395 | S | S | . | . | trans | 68.5 | -13.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | C356 K362 | C356-G360 WeakPolarHBondContact O-CA 3.35Å; C356-G360 PolarHBondContact O-N 2.99Å; G360-K362 PolarHBondContact O-N 3.23Å | ||
| 361 | R | 94 | Very high | 93.3 | Very high | 159 Ų | 159 | 83.4 Ų | 83.4 | 60% | 0.6 | 40% | 0.404 | S | S | * | . | trans | -57 | 124.6 | -174.7 | -172.9 | 171.2 | 179.2 | 162.3 | 3 | 111.5 | C356 C359 F363 | C356-R361 PolarHBondContact N-O 2.61Å; C359-R361 PolarHBondContact O-N 3.45Å; R361-F363 HydrophobicContact CB-CE2 4.04Å; R361-F363 HydrophobicContact CB-CZ 4.31Å; R361-F363 HydrophobicContact CG-CE2 3.86Å; R361-F363 HydrophobicContact CG-CZ 3.75Å; R361-F363 VanDerWaalsContact O-CD2 3.32Å; R361-F363 WeakPolarHBondContact O-CD2 3.27Å; R361-F363 WeakPolarHBondContact O-CE2 3.34Å | ||
| 362 | K | 94.7 | Very high | 93.4 | Very high | 142 Ų | 142 | 80.4 Ų | 80.4 | 62% | 0.617 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 142.8 | -177.2 | -56.8 | -173.7 | -179.7 | -179.5 | 0 | 112.4 | K352 F354 G360 | K352-K362 HydrophobicContact CB-CB 3.66Å; F354-K362 CarbonylContact O-C 3.53Å; F354-K362 WeakPolarHBondContact O-CA 3.45Å; G360-K362 PolarHBondContact O-N 3.23Å |
| 363 | F | 92.9 | Very high | 93.4 | Very high | 26 Ų | 26 | 75.3 Ų | 75.3 | 11% | 0.114 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 151.8 | -178.1 | -61.7 | -88.9 | 0 | 0 | 0 | 111.7 | K352 F354 C356 R361 E368 R369 H372 | K352-F363 CarbonylContact C-O 3.23Å; K352-F363 VanDerWaalsContact C-O 3.22Å; K352-F363 VanDerWaalsContact CA-O 3.23Å; K352-F363 WeakPolarHBondContact CA-O 3.46Å; F354-F363 HydrophobicContact CB-CB 4.31Å; F354-F363 PolarHBondContact N-O 3Å; F354-F363 VanDerWaalsContact N-O 3.15Å; F354-F363 PolarHBondContact O-N 2.62Å; C356-F363 HydrophobicContact CB-CE2 4.26Å; R361-F363 HydrophobicContact CB-CE2 4.04Å; R361-F363 HydrophobicContact CB-CZ 4.31Å; R361-F363 HydrophobicContact CG-CE2 3.86Å; R361-F363 HydrophobicContact CG-CZ 3.75Å; R361-F363 VanDerWaalsContact O-CD2 3.32Å; R361-F363 WeakPolarHBondContact O-CD2 3.27Å; R361-F363 WeakPolarHBondContact O-CE2 3.34Å; F363-E368 HydrophobicContact CB-CB 4.14Å; F363-E368 HydrophobicContact CD1-CB 3.77Å; F363-E368 HydrophobicContact CG-CB 4.21Å; F363-R369 HydrophobicContact CB-CB 4.27Å; F363-R369 HydrophobicContact CD2-CB 3.84Å; F363-R369 HydrophobicContact CD2-CG 4.01Å; F363-R369 HydrophobicContact CE2-CG 4.49Å; F363-R369 HydrophobicContact CG-CB 4.21Å; F363-H372 HydrophobicContact CE1-CB 4.09Å; F363-H372 HydrophobicContact CE2-CB 4.02Å; F363-H372 AromaticContact CE2-CD2 3.63Å; F363-H372 AromaticContact CE2-CG 3.93Å; F363-H372 HydrophobicContact CZ-CB 3.49Å; F363-H372 VanDerWaalsContact CZ-CB 3.49Å; F363-H372 AromaticContact CZ-CD2 3.52Å; F363-H372 AromaticContact CZ-CG 3.39Å |
| 364 | A | 91.8 | Very high | 93.4 | Very high | 22 Ų | 22 | 78.5 Ų | 78.5 | 18% | 0.182 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -80.2 | -23.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R346 | R346-A364 HydrophobicContact CB-CB 4.41Å; R346-A364 WeakPolarHBondContact CD-O 3.44Å; R346-A364 PolarHBondContact NH1-O 3.1Å |
| 365 | R | 92.1 | Very high | 93.3 | Very high | 90 Ų | 90 | 78.9 Ų | 78.9 | 34% | 0.34 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -127.5 | 151.2 | 178 | -49.1 | -176.5 | -75.4 | 149.7 | -5.8 | 113 | T343 D367 E368 R369 | T343-R365 HydrophobicContact CG2-CG 3.84Å; R365-D367 WeakPolarHBondContact CB-OD1 3.44Å; R365-D367 IonicContact CZ-OD2 3.7Å; R365-D367 IonicContact NH1-OD1 3.5Å; R365-D367 IonicContact NH1-OD2 2.71Å; R365-D367 PolarHBondContact NH1-OD2 3.1Å; R365-D367 VanDerWaalsContact NH1-OD2 3.13Å; R365-D367 IonicContact NH2-OD2 3.83Å; R365-E368 HydrophobicContact CB-CG 4.09Å; R365-E368 IonicContact CZ-OE1 3.38Å; R365-E368 PolarHBondContact N-OE2 3.38Å; R365-E368 VanDerWaalsContact NE-CD 3.32Å; R365-E368 IonicContact NE-OE1 2.75Å; R365-E368 PolarHBondContact NE-OE1 3.43Å; R365-E368 IonicContact NH2-OE1 2.8Å; R365-E368 PolarHBondContact NH2-OE1 2.85Å; R365-E368 PolarHBondContact O-N 3.35Å; R365-R369 PolarHBondContact O-N 2.99Å |
| 366 | S | 93.1 | Very high | 92.9 | Very high | 41 Ų | 41 | 77.7 Ų | 77.7 | 29% | 0.287 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -76.4 | -27.4 | -176 | 105 | 0 | 0 | 0 | 0 | 112.9 | R369 K370 | S366-R369 PolarHBondContact O-N 3.24Å; S366-K370 WeakPolarHBondContact O-CB 3.43Å; S366-K370 VanDerWaalsContact O-CG 3.23Å; S366-K370 WeakPolarHBondContact O-CG 3.2Å; S366-K370 PolarHBondContact O-N 3.4Å |
| 367 | D | 93.1 | Very high | 92.4 | Very high | 77 Ų | 77 | 81.6 Ų | 81.6 | 41% | 0.412 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68 | -37.2 | 173.3 | 61.7 | -62.3 | 0 | 0 | 0 | 112 | R365 K370 R371 | R365-D367 WeakPolarHBondContact CB-OD1 3.44Å; R365-D367 IonicContact CZ-OD2 3.7Å; R365-D367 IonicContact NH1-OD1 3.5Å; R365-D367 IonicContact NH1-OD2 2.71Å; R365-D367 PolarHBondContact NH1-OD2 3.1Å; R365-D367 VanDerWaalsContact NH1-OD2 3.13Å; R365-D367 IonicContact NH2-OD2 3.83Å; D367-K370 PolarHBondContact O-N 2.9Å; D367-R371 VanDerWaalsContact O-CB 3.27Å; D367-R371 WeakPolarHBondContact O-CB 3.35Å; D367-R371 PolarHBondContact O-N 3.15Å |
| 368 | E | 93.6 | Very high | 91.7 | Very high | 43 Ų | 43 | 81.4 Ų | 81.4 | 20% | 0.201 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61 | -49.3 | 171.8 | -65.1 | 170.5 | 165.1 | 0 | 0 | 110.9 | F363 R365 K370 R371 H372 | F363-E368 HydrophobicContact CB-CB 4.14Å; F363-E368 HydrophobicContact CD1-CB 3.77Å; F363-E368 HydrophobicContact CG-CB 4.21Å; R365-E368 HydrophobicContact CB-CG 4.09Å; R365-E368 IonicContact CZ-OE1 3.38Å; R365-E368 PolarHBondContact N-OE2 3.38Å; R365-E368 VanDerWaalsContact NE-CD 3.32Å; R365-E368 IonicContact NE-OE1 2.75Å; R365-E368 PolarHBondContact NE-OE1 3.43Å; R365-E368 IonicContact NH2-OE1 2.8Å; R365-E368 PolarHBondContact NH2-OE1 2.85Å; R365-E368 PolarHBondContact O-N 3.35Å; E368-K370 PolarHBondContact O-N 3.09Å; E368-R371 PolarHBondContact O-N 3.13Å; E368-H372 WeakPolarHBondContact O-CB 3.27Å; E368-H372 PolarHBondContact O-N 3.44Å |
| 369 | R | 95.3 | Very high | 90.7 | Very high | 56 Ų | 56 | 80.9 Ų | 80.9 | 21% | 0.211 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -57.9 | -48.7 | 174.3 | -170.9 | -157.4 | 70.9 | 122.1 | -1 | 111.6 | F354 S355 E357 F363 R365 S366 R371 H372 A373 | F354-R369 HydrophobicContact CB-CB 4.04Å; F354-R369 HydrophobicContact CB-CG 4.41Å; S355-R369 WeakPolarHBondContact O-CD 3.46Å; E357-R369 IonicContact OE1-CZ 3.73Å; E357-R369 IonicContact OE1-NH1 2.63Å; E357-R369 PolarHBondContact OE1-NH1 3.14Å; E357-R369 IonicContact OE1-NH2 3.95Å; F363-R369 HydrophobicContact CB-CB 4.27Å; F363-R369 HydrophobicContact CD2-CB 3.84Å; F363-R369 HydrophobicContact CD2-CG 4.01Å; F363-R369 HydrophobicContact CE2-CG 4.49Å; F363-R369 HydrophobicContact CG-CB 4.21Å; R365-R369 PolarHBondContact O-N 2.99Å; S366-R369 PolarHBondContact O-N 3.24Å; R369-R371 PolarHBondContact O-N 3.16Å; R369-H372 PolarHBondContact O-N 3.09Å; R369-A373 WeakPolarHBondContact O-CB 3.49Å; R369-A373 PolarHBondContact O-N 2.78Å |
| 370 | K | 94.3 | Very high | 89.1 | Confident | 122 Ų | 122 | 83.9 Ų | 83.9 | 53% | 0.53 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 178.8 | -75.9 | 172.8 | -177.1 | -175 | 0 | 111.8 | S366 D367 E368 A373 K374 | S366-K370 WeakPolarHBondContact O-CB 3.43Å; S366-K370 VanDerWaalsContact O-CG 3.23Å; S366-K370 WeakPolarHBondContact O-CG 3.2Å; S366-K370 PolarHBondContact O-N 3.4Å; D367-K370 PolarHBondContact O-N 2.9Å; E368-K370 PolarHBondContact O-N 3.09Å; K370-A373 PolarHBondContact O-N 3.14Å; K370-K374 PolarHBondContact O-N 2.74Å |
| 371 | R | 94.1 | Very high | 87.7 | Confident | 172 Ų | 172 | 86.5 Ų | 86.5 | 65% | 0.649 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -65.4 | -39.7 | 175.9 | 179 | 169.7 | 56 | 126.3 | -1.5 | 111.6 | D367 E368 R369 | D367-R371 VanDerWaalsContact O-CB 3.27Å; D367-R371 WeakPolarHBondContact O-CB 3.35Å; D367-R371 PolarHBondContact O-N 3.15Å; E368-R371 PolarHBondContact O-N 3.13Å; R369-R371 PolarHBondContact O-N 3.16Å |
| 372 | H | 94.2 | Very high | 86 | Confident | 37 Ų | 37 | 86.2 Ų | 86.2 | 17% | 0.171 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -67.9 | -40.9 | 174.3 | 177.2 | 67.7 | 0 | 0 | 0 | 112.8 | C359 F363 E368 R369 K374 V375 H376 | C359-H372 PolarHBondContact SG-NE2 3.22Å; F363-H372 HydrophobicContact CE1-CB 4.09Å; F363-H372 HydrophobicContact CE2-CB 4.02Å; F363-H372 AromaticContact CE2-CD2 3.63Å; F363-H372 AromaticContact CE2-CG 3.93Å; F363-H372 HydrophobicContact CZ-CB 3.49Å; F363-H372 VanDerWaalsContact CZ-CB 3.49Å; F363-H372 AromaticContact CZ-CD2 3.52Å; F363-H372 AromaticContact CZ-CG 3.39Å; E368-H372 WeakPolarHBondContact O-CB 3.27Å; E368-H372 PolarHBondContact O-N 3.44Å; R369-H372 PolarHBondContact O-N 3.09Å; H372-K374 PolarHBondContact O-N 3.1Å; H372-V375 VanDerWaalsContact O-CB 3.26Å; H372-V375 WeakPolarHBondContact O-CB 3.34Å; H372-V375 WeakPolarHBondContact O-CG2 3.31Å; H372-V375 PolarHBondContact O-N 2.84Å; H372-H376 AromaticContact CD2-NE2 3.76Å; H372-H376 AromaticContact CE1-NE2 3.54Å; H372-H376 AromaticContact NE2-CD2 3.88Å; H372-H376 AromaticContact NE2-NE2 3.02Å; H372-H376 PolarHBondContact NE2-NE2 3.2Å |
| 373 | A | 92.6 | Very high | 84.2 | Confident | 17 Ų | 17 | 87.1 Ų | 87.1 | 14% | 0.14 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -57.4 | -32.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F358 R369 K370 V375 H376 L377 | F358-A373 HydrophobicContact CE2-CB 4.38Å; R369-A373 WeakPolarHBondContact O-CB 3.49Å; R369-A373 PolarHBondContact O-N 2.78Å; K370-A373 PolarHBondContact O-N 3.14Å; A373-V375 PolarHBondContact O-N 3.15Å; A373-H376 PolarHBondContact O-N 2.68Å; A373-L377 PolarHBondContact O-N 3.5Å |
| 374 | K | 93.1 | Very high | 82.4 | Confident | 136 Ų | 136 | 91.5 Ų | 91.5 | 59% | 0.591 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -62.2 | -21.4 | 173.3 | -67.6 | -178.7 | 179.8 | -171 | 0 | 114.2 | K370 H372 K378 | K370-K374 PolarHBondContact O-N 2.74Å; H372-K374 PolarHBondContact O-N 3.1Å; K374-K378 WeakPolarHBondContact O-CG 3.4Å; K374-K378 PolarHBondContact O-N 3.32Å; K374-K378 VanDerWaalsContact O-N 3.16Å |
| 375 | V | 91.1 | Very high | 80.7 | Confident | 68 Ų | 68 | 92.9 Ų | 92.9 | 41% | 0.412 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68.8 | -43.9 | 174.9 | -177.1 | 0 | 0 | 0 | 0 | 110.2 | H372 A373 K378 Q379 | H372-V375 VanDerWaalsContact O-CB 3.26Å; H372-V375 WeakPolarHBondContact O-CB 3.34Å; H372-V375 WeakPolarHBondContact O-CG2 3.31Å; H372-V375 PolarHBondContact O-N 2.84Å; A373-V375 PolarHBondContact O-N 3.15Å; V375-K378 PolarHBondContact O-N 3.26Å; V375-Q379 WeakPolarHBondContact O-CG 3.08Å; V375-Q379 PolarHBondContact O-N 3.4Å |
| 376 | H | 88.1 | Confident | 78.9 | Confident | 38 Ų | 38 | 93.9 Ų | 93.9 | 18% | 0.176 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -66.5 | -39.1 | 178.2 | -60.6 | -68.9 | 0 | 0 | 0 | 112.2 | F358 C359 H372 A373 Q379 K380 | F358-H376 HydrophobicContact CB-CB 3.95Å; F358-H376 HydrophobicContact CD1-CB 4.38Å; F358-H376 HydrophobicContact CD2-CB 3.71Å; F358-H376 AromaticContact CD2-CD2 3.89Å; F358-H376 AromaticContact CD2-CG 3.96Å; F358-H376 HydrophobicContact CE2-CB 4.31Å; F358-H376 HydrophobicContact CG-CB 3.75Å; F358-H376 AromaticContact CG-CG 3.9Å; C359-H376 PolarHBondContact SG-NE2 3.31Å; C359-H376 VanDerWaalsContact SG-NE2 3.42Å; H372-H376 AromaticContact CD2-NE2 3.76Å; H372-H376 AromaticContact CE1-NE2 3.54Å; H372-H376 AromaticContact NE2-CD2 3.88Å; H372-H376 AromaticContact NE2-NE2 3.02Å; H372-H376 PolarHBondContact NE2-NE2 3.2Å; A373-H376 PolarHBondContact O-N 2.68Å; H376-Q379 PolarHBondContact O-N 3.46Å; H376-K380 PolarHBondContact O-N 3.05Å |
| 377 | L | 83.6 | Confident | 77.1 | Confident | 84 Ų | 84 | 100.4 Ų | 100.4 | 44% | 0.44 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.1 | -51.8 | 173.2 | -69.4 | 166.1 | 0 | 0 | 0 | 111.2 | A373 Q379 K380 D381 | A373-L377 PolarHBondContact O-N 3.5Å; L377-Q379 PolarHBondContact O-N 2.86Å; L377-K380 WeakPolarHBondContact O-CB 3.42Å; L377-K380 PolarHBondContact O-N 2.91Å; L377-D381 PolarHBondContact O-N 3.17Å; L377-D381 VanDerWaalsContact O-N 3.12Å |
| 378 | K | 77.8 | Confident | 75.3 | Confident | 149 Ų | 149 | 101.2 Ų | 101.2 | 65% | 0.648 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.3 | -25.4 | 176.4 | -72.2 | -178 | 176.1 | -165 | 0 | 114.3 | K374 V375 | K374-K378 WeakPolarHBondContact O-CG 3.4Å; K374-K378 PolarHBondContact O-N 3.32Å; K374-K378 VanDerWaalsContact O-N 3.16Å; V375-K378 PolarHBondContact O-N 3.26Å |
| 379 | Q | 70.1 | Confident | 73.5 | Confident | 109 Ų | 109 | 103.4 Ų | 103.4 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -79.4 | -32.3 | 173.8 | -74.1 | 173.6 | -8.4 | 0 | 0 | 112.2 | V375 H376 L377 K383 | V375-Q379 WeakPolarHBondContact O-CG 3.08Å; V375-Q379 PolarHBondContact O-N 3.4Å; H376-Q379 PolarHBondContact O-N 3.46Å; L377-Q379 PolarHBondContact O-N 2.86Å; Q379-K383 PolarHBondContact O-N 3.45Å |
| 380 | K | 60.3 | Low | 71.4 | Confident | 126 Ų | 126 | 104.1 Ų | 104.1 | 55% | 0.548 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.8 | -44.6 | 175.3 | -169.7 | 179.6 | 178.3 | -178.1 | 0 | 111.4 | H376 L377 K382 K383 Q384 | H376-K380 PolarHBondContact O-N 3.05Å; L377-K380 WeakPolarHBondContact O-CB 3.42Å; L377-K380 PolarHBondContact O-N 2.91Å; K380-K382 VanDerWaalsContact C-N 3.31Å; K380-K382 PolarHBondContact O-N 3.5Å; K380-K383 PolarHBondContact O-N 3.3Å; K380-Q384 PolarHBondContact O-N 3.43Å; K380-Q384 VanDerWaalsContact O-N 3.08Å |
| 381 | D | 61.5 | Low | 69.4 | Low | 102 Ų | 102 | 102.8 Ų | 102.8 | 55% | 0.545 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.1 | -42.2 | 179.6 | -54.9 | -31.2 | 0 | 0 | 0 | 111.6 | L377 Q384 A385 | L377-D381 PolarHBondContact O-N 3.17Å; L377-D381 VanDerWaalsContact O-N 3.12Å; D381-Q384 PolarHBondContact O-N 2.89Å; D381-A385 PolarHBondContact O-N 3.29Å |
| 382 | K | 59.2 | Low | 67.5 | Low | 153 Ų | 153 | 99.3 Ų | 99.3 | 67% | 0.665 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.8 | -48.7 | 175.2 | -70.3 | -171.2 | 173.8 | -163.2 | 0 | 112.5 | K380 Q384 A385 D386 | K380-K382 VanDerWaalsContact C-N 3.31Å; K380-K382 PolarHBondContact O-N 3.5Å; K382-Q384 PolarHBondContact O-N 2.81Å; K382-Q384 VanDerWaalsContact O-N 3.15Å; K382-A385 WeakPolarHBondContact O-CB 3.4Å; K382-A385 PolarHBondContact O-N 2.87Å; K382-A385 VanDerWaalsContact O-N 3.1Å; K382-D386 PolarHBondContact O-N 2.88Å |
| 383 | K | 56.5 | Low | 65.2 | Low | 161 Ų | 161 | 100.9 Ų | 100.9 | 70% | 0.7 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.3 | -17.1 | 178.1 | -88.2 | -171.3 | 171.9 | -176.3 | 0 | 114.5 | Q379 K380 | Q379-K383 PolarHBondContact O-N 3.45Å; K380-K383 PolarHBondContact O-N 3.3Å |
| 384 | Q | 56.2 | Low | 63.1 | Low | 118 Ų | 118 | 105 Ų | 105 | 55% | 0.551 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -87.2 | -35.1 | 171.9 | -73.6 | -176.4 | -82.9 | 0 | 0 | 112.2 | K380 D381 K382 D386 K387 S388 | K380-Q384 PolarHBondContact O-N 3.43Å; K380-Q384 VanDerWaalsContact O-N 3.08Å; D381-Q384 PolarHBondContact O-N 2.89Å; K382-Q384 PolarHBondContact O-N 2.81Å; K382-Q384 VanDerWaalsContact O-N 3.15Å; Q384-D386 PolarHBondContact O-N 3.37Å; Q384-K387 PolarHBondContact O-N 3.12Å; Q384-S388 PolarHBondContact O-N 3.21Å; Q384-S388 PolarHBondContact O-OG 3.3Å |
| 385 | A | 54.2 | Low | 61.2 | Low | 52 Ų | 52 | 107.6 Ų | 107.6 | 43% | 0.43 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -59.1 | -45.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | D381 K382 K387 S388 S389 | D381-A385 PolarHBondContact O-N 3.29Å; K382-A385 WeakPolarHBondContact O-CB 3.4Å; K382-A385 PolarHBondContact O-N 2.87Å; K382-A385 VanDerWaalsContact O-N 3.1Å; A385-K387 PolarHBondContact O-N 2.88Å; A385-K387 VanDerWaalsContact O-N 3.17Å; A385-S388 WeakPolarHBondContact CA-OG 3.43Å; A385-S388 PolarHBondContact O-N 2.88Å; A385-S388 PolarHBondContact O-OG 3.44Å; A385-S389 PolarHBondContact O-N 2.99Å; A385-S389 PolarHBondContact O-OG 3.27Å |
| 386 | D | 55.9 | Low | 59 | Low | 111 Ų | 111 | 109.2 Ų | 109.2 | 59% | 0.594 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.3 | -21.2 | 178.7 | -56.2 | -28.7 | 0 | 0 | 0 | 113.2 | K382 Q384 S389 | K382-D386 PolarHBondContact O-N 2.88Å; Q384-D386 PolarHBondContact O-N 3.37Å; D386-S389 PolarHBondContact O-OG 3.33Å |
| 387 | K | 55.3 | Low | 57.4 | Low | 177 Ų | 177 | 112.9 Ų | 112.9 | 77% | 0.77 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -86.6 | -23.7 | 174.6 | -77 | -172.3 | 172.3 | -169.2 | 0 | 113.5 | Q384 A385 | Q384-K387 PolarHBondContact O-N 3.12Å; A385-K387 PolarHBondContact O-N 2.88Å; A385-K387 VanDerWaalsContact O-N 3.17Å |
| 388 | S | 55.1 | Low | 55.9 | Low | 95 Ų | 95 | 114.4 Ų | 114.4 | 66% | 0.664 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -82.2 | -21 | 174.6 | 44.2 | 0 | 0 | 0 | 0 | 114 | Q384 A385 | Q384-S388 PolarHBondContact O-N 3.21Å; Q384-S388 PolarHBondContact O-OG 3.3Å; A385-S388 WeakPolarHBondContact CA-OG 3.43Å; A385-S388 PolarHBondContact O-N 2.88Å; A385-S388 PolarHBondContact O-OG 3.44Å |
| 389 | S | 54.9 | Low | 54.7 | Low | 89 Ų | 89 | 113.2 Ų | 113.2 | 62% | 0.622 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -86.5 | -10.5 | 175.4 | 50 | 0 | 0 | 0 | 0 | 114.2 | A385 D386 A391 | A385-S389 PolarHBondContact O-N 2.99Å; A385-S389 PolarHBondContact O-OG 3.27Å; D386-S389 PolarHBondContact O-OG 3.33Å; S389-A391 PolarHBondContact O-N 3.29Å |
| 390 | G | 52.2 | Low | 53.5 | Low | 70 Ų | 70 | 112 Ų | 112 | 72% | 0.722 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -85.3 | 5.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 391 | A | 52.3 | Low | 52.8 | Low | 94 Ų | 94 | 111.7 Ų | 111.7 | 78% | 0.777 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -110.1 | 20.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S389 | S389-A391 PolarHBondContact O-N 3.29Š|
| 392 | A | 54.3 | Low | 51.9 | Low | 99 Ų | 99 | 113 Ų | 113 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | -138.9 | 81.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 393 | G | 45.2 | Very low | 50.9 | Low | 70 Ų | 70 | 109.5 Ų | 109.5 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | trans | -164.2 | 49.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 394 | S | 48.6 | Very low | 50.2 | Low | 104 Ų | 104 | 105.5 Ų | 105.5 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | trans | 19.7 | 115.4 | 161.4 | 56.3 | 0 | 0 | 0 | 0 | 118.9 | S396 | S394-S396 PolarHBondContact O-N 2.77Å; S394-S396 VanDerWaalsContact O-N 3.14Å | ||
| 395 | H | 54 | Low | 50.1 | Low | 190 Ų | 190 | 106.4 Ų | 106.4 | 88% | 0.88 | 75% | 0.751 | S | S | * | * | trans | -55.7 | 114.6 | 147.1 | -78 | -97.7 | 0 | 0 | 0 | 109.5 | ||||
| 396 | S | 43.8 | Very low | 49.8 | Very low | 103 Ų | 103 | 108.4 Ų | 108.4 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | trans | -114.4 | 81 | 162 | 42.3 | 0 | 0 | 0 | 0 | 108.8 | S394 P398 | S394-S396 PolarHBondContact O-N 2.77Å; S394-S396 VanDerWaalsContact O-N 3.14Å; S396-P398 WeakPolarHBondContact O-CD 3.37Å | ||
| 397 | T | 54.8 | Low | 49.3 | Very low | 115 Ų | 115 | 110.4 Ų | 110.4 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 123.2 | 163.7 | 45.3 | 0 | 0 | 0 | 0 | 109.1 | ||
| 398 | P | 52.8 | Low | 48.8 | Very low | 116 Ų | 116 | 105.2 Ų | 105.2 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 130.9 | 167.6 | 29.3 | -31.8 | 0 | 0 | 0 | 108.7 | S396 G400 | S396-P398 WeakPolarHBondContact O-CD 3.37Å; P398-G400 PolarHBondContact O-N 3.47Å |
| 399 | P | 50.8 | Low | 48.1 | Very low | 124 Ų | 124 | 105.4 Ų | 105.4 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -69 | 129.3 | 169.8 | 29.2 | -32.1 | 0 | 0 | 0 | 108.8 | ||
| 400 | G | 45 | Very low | 47.6 | Very low | 82 Ų | 82 | 110.3 Ų | 110.3 | 85% | 0.845 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 135.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | P398 | P398-G400 PolarHBondContact O-N 3.47Š|
| 401 | S | 46.4 | Very low | 47.4 | Very low | 121 Ų | 121 | 112.4 Ų | 112.4 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | trans | -115.3 | 123 | 161.9 | -170.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 402 | C | 42.3 | Very low | 47.1 | Very low | 128 Ų | 128 | 113.3 Ų | 113.3 | 87% | 0.865 | 83% | 0.83 | S | S | * | * | trans | -77.5 | 153.5 | 176.7 | 41.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 403 | G | 38.6 | Very low | 46.7 | Very low | 80 Ų | 80 | 114.1 Ų | 114.1 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | trans | 162.3 | 91.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 404 | G | 41.8 | Very low | 46.8 | Very low | 77 Ų | 77 | 116.7 Ų | 116.7 | 79% | 0.794 | 84% | 0.837 | S | S | * | * | trans | -80.8 | -167.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 405 | P | 54.3 | Low | 46.7 | Very low | 138 Ų | 138 | 117.5 Ų | 117.5 | 90% | 0.896 | 84% | 0.844 | S | S | * | * | cis | -129.8 | -167.5 | 21.7 | 41.2 | -24.2 | 0 | 0 | 0 | 114.9 | ||||
| 406 | A | 47.1 | Very low | 46.2 | Very low | 94 Ų | 94 | 112.7 Ų | 112.7 | 78% | 0.777 | 84% | 0.842 | S | S | * | * | trans | -85.4 | 150.8 | -167.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 407 | V | 45.3 | Very low | 46.4 | Very low | 152 Ų | 152 | 113.4 Ų | 113.4 | 92% | 0.921 | 85% | 0.85 | S | S | * | * | trans | -158.2 | 151.1 | 139.2 | -79 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 408 | G | 44.9 | Very low | 45.7 | Very low | 68 Ų | 68 | 113.2 Ų | 113.2 | 70% | 0.701 | 86% | 0.861 | S | S | * | * | cis | 142.3 | 128.6 | 3.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 409 | A | 41.5 | Very low | 45.2 | Very low | 100 Ų | 100 | 113 Ų | 113 | 83% | 0.826 | 87% | 0.87 | S | S | * | * | trans | 68 | 147.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 410 | S | 43.9 | Very low | 44.6 | Very low | 192 Ų | 192 | 112 Ų | 112 | 100% | 1.343 | 88% | 0.876 | S | S | * | * | cis | -155.4 | 0 | -9.2 | -122.1 | 0 | 0 | 0 | 0 | 111.1 |
Retrieved 410 of 410 residues in 398.1 ms
(Link to these results)