| 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 | 41.3 | Very low | 236 Ų | 236 | 146.9 Ų | 146.9 | 100% | 1.163 | 83% | 0.832 | S | S | * | * | 0 | 90.9 | 0 | -64.3 | -71.6 | -175.4 | 0 | 0 | 106.3 | |||||
| 2 | A | 31.6 | Very low | 41.4 | Very low | 100 Ų | 100 | 144.1 Ų | 144.1 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | 70.4 | 120.4 | 101.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 3 | A | 33.8 | Very low | 41.6 | Very low | 102 Ų | 102 | 144.2 Ų | 144.2 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | cis | -146 | 123.1 | 48.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 4 | V | 40.9 | Very low | 41.5 | Very low | 143 Ų | 143 | 140.2 Ų | 140.2 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -82 | 153.3 | 142.8 | 167.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 5 | A | 41.4 | Very low | 41.5 | Very low | 85 Ų | 85 | 143 Ų | 143 | 70% | 0.702 | 80% | 0.797 | S | S | * | * | trans | 85.4 | 103 | 164.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 6 | V | 44.4 | Very low | 41.6 | Very low | 141 Ų | 141 | 143.5 Ų | 143.5 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | -149.7 | 143.6 | 123.4 | 175 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 7 | L | 41.5 | Very low | 41.8 | Very low | 162 Ų | 162 | 145.4 Ų | 145.4 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | trans | 96 | 54.1 | 177.9 | -62.7 | 136.6 | 0 | 0 | 0 | 117.7 | ||||
| 8 | R | 50.6 | Low | 41.5 | Very low | 247 Ų | 247 | 146.1 Ų | 146.1 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | -117.5 | 99.2 | 128.1 | -93.6 | -174.3 | 166.4 | -175.5 | -2.9 | 107.4 | |||||
| 9 | N | 48.4 | Very low | 41.3 | Very low | 100 Ų | 100 | 151.3 Ų | 151.3 | 54% | 0.535 | 81% | 0.807 | S | S | . | * | trans | -162.5 | 44.8 | 164.6 | -136.2 | -2.9 | 0 | 0 | 0 | 116.9 | ||||
| 10 | E | 43.9 | Very low | 41.1 | Very low | 174 Ų | 174 | 150.5 Ų | 150.5 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -108.9 | -17.3 | 170.5 | -69.1 | -97.8 | 136.9 | 0 | 0 | 112.3 | ||
| 11 | T | 44.8 | Very low | 41.4 | Very low | 126 Ų | 126 | 148.8 Ų | 148.8 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -100.2 | -5.8 | -176.6 | 53.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 12 | L | 43.2 | Very low | 41.4 | Very low | 113 Ų | 113 | 145.3 Ų | 145.3 | 59% | 0.592 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -96 | -18 | 178.4 | -89.7 | 168 | 0 | 0 | 0 | 113.8 | ||
| 13 | Q | 44.2 | Very low | 41.4 | Very low | 145 Ų | 145 | 146.4 Ų | 146.4 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -17.1 | 177 | -107.6 | 167.1 | -15.4 | 0 | 0 | 113.7 | F15 | Q13-F15 VanDerWaalsContact C-N 3.35Š|
| 14 | A | 40.4 | Very low | 41.3 | Very low | 89 Ų | 89 | 146.9 Ų | 146.9 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -8.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 15 | F | 40.9 | Very low | 41.6 | Very low | 182 Ų | 182 | 145.2 Ų | 145.2 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -103.5 | -6.4 | -175.5 | -130.2 | -88 | 0 | 0 | 0 | 114.2 | Q13 | Q13-F15 VanDerWaalsContact C-N 3.35Š|
| 16 | L | 43.4 | Very low | 41.7 | Very low | 151 Ų | 151 | 149.9 Ų | 149.9 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -110.6 | 11.9 | -172.4 | -72.4 | 177.2 | 0 | 0 | 0 | 115 | ||
| 17 | Q | 45.3 | Very low | 41.6 | Very low | 176 Ų | 176 | 150.6 Ų | 150.6 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -106.5 | 6.3 | -179.8 | -76.9 | -172.8 | -2.3 | 0 | 0 | 116 | ||
| 18 | D | 36.3 | Very low | 41.3 | Very low | 157 Ų | 157 | 149.2 Ų | 149.2 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | trans | -132.4 | 49.8 | -174.2 | -139.9 | 7.8 | 0 | 0 | 0 | 115.3 | ||||
| 19 | R | 36.6 | Very low | 40.8 | Very low | 245 Ų | 245 | 146.5 Ų | 146.5 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | trans | -142.4 | 91.3 | 162.5 | -74.4 | -165.8 | 173.7 | 168.4 | -2.6 | 112.2 | ||||
| 20 | T | 38.3 | Very low | 40.9 | Very low | 136 Ų | 136 | 150.8 Ų | 150.8 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -81.9 | 158.4 | 149.4 | 49.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 21 | P | 46.1 | Very low | 40.6 | Very low | 114 Ų | 114 | 146 Ų | 146 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | trans | -101.4 | 130.1 | -161.3 | 35.4 | -26.1 | 0 | 0 | 0 | 111.9 | ||||
| 22 | N | 34.1 | Very low | 40.5 | Very low | 163 Ų | 163 | 146 Ų | 146 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | trans | -175.6 | 103.8 | 145.3 | -106.5 | -21.7 | 0 | 0 | 0 | 111.5 | ||||
| 23 | S | 29.6 | Very low | 40.9 | Very low | 124 Ų | 124 | 147.2 Ų | 147.2 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | 165.5 | 142.2 | 127.6 | 47.9 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 24 | S | 33.2 | Very low | 41 | Very low | 111 Ų | 111 | 144.1 Ų | 144.1 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -26.2 | 148.7 | -178 | -161.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 25 | P | 46.1 | Very low | 41.2 | Very low | 108 Ų | 108 | 147 Ų | 147 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | -73.9 | 145.6 | 171.2 | 34.3 | -34.6 | 0 | 0 | 0 | 109.4 | ||||
| 26 | E | 43.3 | Very low | 41.5 | Very low | 184 Ų | 184 | 145.3 Ų | 145.3 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | -178.7 | 141.5 | 128.4 | -75.3 | -128 | 130.3 | 0 | 0 | 108.6 | |||||
| 27 | N | 44.3 | Very low | 41.6 | Very low | 155 Ų | 155 | 142.3 Ų | 142.3 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | 70.1 | 94.7 | 176.6 | -78.9 | -17.9 | 0 | 0 | 0 | 119.2 | ||||
| 28 | C | 34 | Very low | 41.4 | Very low | 133 Ų | 133 | 137.7 Ų | 137.7 | 90% | 0.899 | 79% | 0.786 | S | S | * | * | trans | -164.5 | 85.8 | 133 | -96.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 29 | K | 40.8 | Very low | 41.7 | Very low | 191 Ų | 191 | 135.9 Ų | 135.9 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | trans | -75 | 138.5 | 153.2 | -69 | 174.6 | -177.9 | 173.1 | 0 | 106.4 | ||||
| 30 | H | 50.2 | Low | 42.2 | Very low | 189 Ų | 189 | 129.5 Ų | 129.5 | 88% | 0.875 | 77% | 0.772 | S | S | * | * | trans | 91.9 | 66.2 | 177.7 | -44.5 | -66 | 0 | 0 | 0 | 116.9 | ||||
| 31 | S | 38.1 | Very low | 42.3 | Very low | 75 Ų | 75 | 130.3 Ų | 130.3 | 52% | 0.524 | 77% | 0.771 | S | S | . | * | trans | -112.8 | 135.5 | 151.3 | 171.6 | 0 | 0 | 0 | 0 | 109.3 | L33 A34 | S31-L33 PolarHBondContact O-N 2.93Å; S31-A34 PolarHBondContact O-N 3.06Å | ||
| 32 | P | 42.7 | Very low | 41.8 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -6.1 | -178.8 | -18.8 | 30.4 | 0 | 0 | 0 | 115.1 | ||
| 33 | L | 50.9 | Low | 41.9 | Very low | 140 Ų | 140 | 137.5 Ų | 137.5 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -10.8 | -177 | -84.4 | 159.4 | 0 | 0 | 0 | 114.7 | S31 | S31-L33 PolarHBondContact O-N 2.93Š|
| 34 | A | 46.8 | Very low | 42 | Very low | 80 Ų | 80 | 135 Ų | 135 | 66% | 0.661 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -82.4 | -16.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S31 | S31-A34 PolarHBondContact O-N 3.06Š|
| 35 | L | 44.4 | Very low | 42.1 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -88.1 | -14.6 | -177.3 | -103.5 | 152.5 | 0 | 0 | 0 | 114 | ||
| 36 | L | 46.2 | Very low | 41.4 | Very low | 147 Ų | 147 | 141.6 Ų | 141.6 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -86.7 | -12.1 | 178.6 | -146.9 | 75.6 | 0 | 0 | 0 | 113.2 | ||
| 37 | A | 45.8 | Very low | 41 | Very low | 88 Ų | 88 | 141.6 Ų | 141.6 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -88.8 | -6.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 38 | A | 42.6 | Very low | 40.2 | Very low | 80 Ų | 80 | 137.3 Ų | 137.3 | 66% | 0.661 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -101.9 | -6.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 39 | T | 41.6 | Very low | 40 | Very low | 119 Ų | 119 | 136 Ų | 136 | 73% | 0.73 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -105.2 | 0.4 | -174.2 | 47.5 | 0 | 0 | 0 | 0 | 115.6 | ||
| 40 | C | 46.8 | Very low | 39.4 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 75% | 0.75 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -109.7 | 16 | -175.8 | -69 | 0 | 0 | 0 | 0 | 115.9 | ||
| 41 | N | 41.1 | Very low | 38.4 | Very low | 152 Ų | 152 | 134.2 Ų | 134.2 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | -139.6 | 86.9 | 175 | -84.2 | -39.2 | 0 | 0 | 0 | 112.3 | ||||
| 42 | R | 34.8 | Very low | 39.1 | Very low | 246 Ų | 246 | 134.3 Ų | 134.3 | 93% | 0.928 | 77% | 0.769 | S | S | * | * | trans | -172.8 | 145.6 | 146.4 | -108.8 | 169.8 | -160.3 | -174.2 | 5.1 | 110.8 | ||||
| 43 | I | 37 | Very low | 38.5 | Very low | 182 Ų | 182 | 135.6 Ų | 135.6 | 93% | 0.933 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 83.3 | 93 | -163.5 | -45.8 | 159.9 | 0 | 0 | 0 | 109.6 | ||
| 44 | G | 32.2 | Very low | 37.5 | Very low | 72 Ų | 72 | 138.2 Ų | 138.2 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | cis | 136.7 | 101.6 | 22.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 45 | H | 34.6 | Very low | 36.8 | Very low | 184 Ų | 184 | 142 Ų | 142 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | trans | -61.1 | 143.4 | 171.1 | -87.5 | -90.8 | 0 | 0 | 0 | 111.1 | ||||
| 46 | H | 31.4 | Very low | 36.1 | Very low | 174 Ų | 174 | 143 Ų | 143 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | -167.6 | 117.3 | 127.4 | -101.2 | -78.2 | 0 | 0 | 0 | 112 | |||||
| 47 | H | 33.9 | Very low | 35.5 | Very low | 183 Ų | 183 | 142.2 Ų | 142.2 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | trans | 50.9 | 129.3 | 145.2 | -80.2 | -104.2 | 0 | 0 | 0 | 124.3 | ||||
| 48 | G | 28.1 | Very low | 35.3 | Very low | 65 Ų | 65 | 144 Ų | 144 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | 130.9 | 99.8 | 119.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 49 | S | 30.9 | Very low | 34.8 | Very low | 106 Ų | 106 | 149.4 Ų | 149.4 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | 71 | 123.4 | 141 | 60 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 50 | N | 27.9 | Very low | 34.3 | Very low | 164 Ų | 164 | 150.4 Ų | 150.4 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | trans | 73 | 120.6 | 135.4 | -58.8 | -26.7 | 0 | 0 | 0 | 121.8 | ||||
| 51 | H | 28.4 | Very low | 34.3 | Very low | 178 Ų | 178 | 148.8 Ų | 148.8 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | -83.5 | 177.5 | 165.4 | -170.9 | -114.2 | 0 | 0 | 0 | 110.1 | ||||
| 52 | P | 52 | Low | 33.9 | Very low | 78 Ų | 78 | 147 Ų | 147 | 51% | 0.506 | 78% | 0.778 | S | S | . | * | cis | -120 | 172 | -17.8 | 10.7 | 14 | 0 | 0 | 0 | 113.8 | ||||
| 53 | D | 30.9 | Very low | 33.8 | Very low | 151 Ų | 151 | 143.8 Ų | 143.8 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | 170.5 | 147 | 108.6 | -95.1 | -35.5 | 0 | 0 | 0 | 113.6 | |||||
| 54 | F | 30.4 | Very low | 33.5 | Very low | 194 Ų | 194 | 138.6 Ų | 138.6 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | trans | -57.6 | 150.1 | 177 | -93.2 | -112.3 | 0 | 0 | 0 | 113.4 | ||||
| 55 | L | 30.9 | Very low | 33.5 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | 178.3 | 160.7 | 114.3 | -87.9 | 177.5 | 0 | 0 | 0 | 112.7 | |||||
| 56 | Q | 29.8 | Very low | 33.6 | Very low | 168 Ų | 168 | 138 Ų | 138 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | -73.2 | 147.9 | -164.2 | -73.1 | 158.4 | -38.8 | 0 | 0 | 116.8 | ||||
| 57 | V | 33.8 | Very low | 33.7 | Very low | 131 Ų | 131 | 135 Ų | 135 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | 33.9 | 131.8 | 128.5 | -164.8 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 58 | P | 42.6 | Very low | 33.7 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | -152.6 | 168.6 | 63.4 | 37.4 | -13.6 | 0 | 0 | 0 | 120.1 | |||||
| 59 | Y | 32.1 | Very low | 33.8 | Very low | 194 Ų | 194 | 140.3 Ų | 140.3 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | trans | -64.3 | 139.8 | 168.2 | 174.8 | -94.9 | 0 | 0 | 0 | 112.7 | P61 | Y59-P61 HydrophobicContact CE1-CB 4.35Å; Y59-P61 HydrophobicContact CE1-CG 3.67Å | ||
| 60 | D | 31.4 | Very low | 33.7 | Very low | 140 Ų | 140 | 145.3 Ų | 145.3 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | -150.4 | 129.2 | 157.8 | -153.4 | -16.8 | 0 | 0 | 0 | 110.1 | ||||
| 61 | P | 46.2 | Very low | 34 | Very low | 77 Ų | 77 | 145.9 Ų | 145.9 | 50% | 0.5 | 78% | 0.777 | S | S | . | * | trans | -104.2 | 113.8 | -179 | 35.3 | -24.5 | 0 | 0 | 0 | 111.4 | Y59 | Y59-P61 HydrophobicContact CE1-CB 4.35Å; Y59-P61 HydrophobicContact CE1-CG 3.67Å | ||
| 62 | T | 33.2 | Very low | 34.4 | Very low | 116 Ų | 116 | 142.7 Ų | 142.7 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | trans | -146.4 | 124.6 | 166.3 | 41.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 63 | L | 32.8 | Very low | 33.3 | Very low | 177 Ų | 177 | 151.1 Ų | 151.1 | 93% | 0.927 | 79% | 0.794 | S | S | * | * | trans | 79.4 | 122.6 | 146.7 | -57.8 | 169.4 | 0 | 0 | 0 | 120.3 | ||||
| 64 | G | 29.3 | Very low | 33.3 | Very low | 73 Ų | 73 | 150.8 Ų | 150.8 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | 125.6 | 87.3 | 133.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 65 | S | 32.5 | Very low | 33.3 | Very low | 118 Ų | 118 | 148.5 Ų | 148.5 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -51.7 | 153.3 | 157.8 | -52.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 66 | P | 37.8 | Very low | 33.1 | Very low | 127 Ų | 127 | 150 Ų | 150 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | -137.3 | 120.4 | 123.8 | 29.8 | -14.1 | 0 | 0 | 0 | 113 | |||||
| 67 | S | 32 | Very low | 33 | Very low | 110 Ų | 110 | 145.3 Ų | 145.3 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -79.3 | 136.2 | 156.1 | -60.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 68 | R | 34.2 | Very low | 32.7 | Very low | 234 Ų | 234 | 144.9 Ų | 144.9 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | 164.7 | 138.3 | 154.8 | -94.4 | -179.9 | -172.8 | -146 | 2.7 | 105.9 | ||||
| 69 | L | 31.4 | Very low | 32.6 | Very low | 125 Ų | 125 | 144.8 Ų | 144.8 | 65% | 0.654 | 80% | 0.796 | S | S | * | * | cis | -168 | 144.4 | 8.1 | -89.5 | 149 | 0 | 0 | 0 | 105.1 | ||||
| 70 | F | 28.1 | Very low | 32.4 | Very low | 211 Ų | 211 | 144.3 Ų | 144.3 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | -159.4 | 112.1 | 141.9 | -95.4 | -71.5 | 0 | 0 | 0 | 108.4 | ||||
| 71 | H | 34.1 | Very low | 32.3 | Very low | 177 Ų | 177 | 143 Ų | 143 | 82% | 0.819 | 80% | 0.803 | S | S | * | * | trans | -113.9 | 153.1 | 162.1 | -92.3 | -87.1 | 0 | 0 | 0 | 109.3 | ||||
| 72 | P | 37.3 | Very low | 31.6 | Very low | 110 Ų | 110 | 144.3 Ų | 144.3 | 71% | 0.714 | 81% | 0.813 | S | S | * | * | trans | -89.9 | 153.8 | -156.5 | 35.1 | -33.6 | 0 | 0 | 0 | 113.5 | ||||
| 73 | W | 28.5 | Very low | 31.4 | Very low | 256 Ų | 256 | 146.7 Ų | 146.7 | 97% | 0.97 | 82% | 0.821 | S | S | * | * | trans | -73.6 | 129.5 | 171.9 | -87.4 | 0.7 | 0 | 0 | 0 | 112.4 | ||||
| 74 | T | 31.3 | Very low | 31.3 | Very low | 143 Ų | 143 | 143 Ų | 143 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | trans | -116.5 | 128.1 | 154.2 | 50 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 75 | N | 29.4 | Very low | 31.3 | Very low | 146 Ų | 146 | 142.8 Ų | 142.8 | 78% | 0.781 | 81% | 0.813 | S | S | * | * | trans | -118.7 | 109.4 | -178.7 | -171.3 | 25.8 | 0 | 0 | 0 | 108.5 | ||||
| 76 | E | 26.9 | Very low | 31.2 | Very low | 192 Ų | 192 | 144.6 Ų | 144.6 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | trans | -148.7 | 122.6 | 159.8 | -75.5 | -61.2 | 152 | 0 | 0 | 106.6 | ||||
| 77 | G | 27.6 | Very low | 30.8 | Very low | 70 Ų | 70 | 143.5 Ų | 143.5 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | trans | -165.3 | 89 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 78 | S | 28.2 | Very low | 30.8 | Very low | 122 Ų | 122 | 143.2 Ų | 143.2 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -81.7 | 149.9 | 157.6 | -62.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 79 | P | 40.3 | Very low | 30.7 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | trans | -122.3 | 133.8 | 163 | 34.7 | -21.5 | 0 | 0 | 0 | 112.7 | ||||
| 80 | Q | 28.9 | Very low | 30.5 | Very low | 185 Ų | 185 | 138.8 Ų | 138.8 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -147.2 | 139 | 153 | -86 | -156.8 | -12.3 | 0 | 0 | 112.6 | ||||
| 81 | S | 28.9 | Very low | 30.7 | Very low | 113 Ų | 113 | 137.3 Ų | 137.3 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | 70.2 | 139.9 | 155.8 | 70.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 82 | S | 30.6 | Very low | 30.3 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | cis | -173.6 | 154.1 | 17.5 | 41.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 83 | L | 30.4 | Very low | 30.1 | Very low | 166 Ų | 166 | 133.8 Ų | 133.8 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | 151.9 | 99.5 | 145.8 | -86.3 | 150.3 | 0 | 0 | 0 | 108.3 | ||||
| 84 | A | 30.1 | Very low | 30.5 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | 82.8 | 121.4 | 83.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 85 | G | 28.2 | Very low | 31.2 | Very low | 69 Ų | 69 | 129.8 Ų | 129.8 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | 147.6 | 90.3 | 160 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 86 | N | 31.4 | Very low | 31.4 | Very low | 156 Ų | 156 | 130.8 Ų | 130.8 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | 76.2 | 103.6 | 138.9 | -58.8 | -3.6 | 0 | 0 | 0 | 123.5 | ||||
| 87 | S | 28.6 | Very low | 31.7 | Very low | 104 Ų | 104 | 129.6 Ų | 129.6 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | 75.7 | 116.9 | 112.5 | 80.1 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 88 | T | 31.7 | Very low | 31.8 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 64% | 0.638 | 79% | 0.788 | S | S | * | * | 97.2 | 135.2 | 129.4 | -7 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 89 | F | 32.1 | Very low | 32 | Very low | 202 Ų | 202 | 129.9 Ų | 129.9 | 89% | 0.886 | 79% | 0.787 | S | S | * | * | trans | 74.3 | 136.1 | 167.1 | -55.4 | -76.2 | 0 | 0 | 0 | 116.8 | ||||
| 90 | G | 27.7 | Very low | 31.8 | Very low | 64 Ų | 64 | 131.2 Ų | 131.2 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | cis | 151.2 | 141.2 | 5.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 91 | L | 31.7 | Very low | 32.1 | Very low | 181 Ų | 181 | 130.4 Ų | 130.4 | 95% | 0.948 | 78% | 0.783 | S | S | * | * | trans | 72.1 | 152.2 | 169 | -48.6 | 170.1 | 0 | 0 | 0 | 116.1 | ||||
| 92 | S | 27 | Very low | 32.3 | Very low | 101 Ų | 101 | 132.5 Ų | 132.5 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | cis | 178.7 | 160.8 | -17.1 | 172.7 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 93 | S | 32.6 | Very low | 32.5 | Very low | 111 Ų | 111 | 132 Ų | 132 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | 101.4 | 105.5 | 155 | -30 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 94 | K | 37.7 | Very low | 32.5 | Very low | 196 Ų | 196 | 130 Ų | 130 | 85% | 0.852 | 78% | 0.776 | S | S | * | * | trans | -65.5 | 166.3 | 144.8 | -83.3 | 177.5 | -179.3 | 174 | 0 | 110 | ||||
| 95 | P | 45.6 | Very low | 32.6 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | -139 | 150.5 | 52.3 | 21 | 6.1 | 0 | 0 | 0 | 115.7 | |||||
| 96 | Q | 33.8 | Very low | 32.6 | Very low | 167 Ų | 167 | 136.3 Ų | 136.3 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | 53.5 | 110.2 | 91.6 | -92.4 | -79.4 | 2 | 0 | 0 | 115.4 | |||||
| 97 | L | 33.1 | Very low | 32.7 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | -158.1 | 133.3 | 140.9 | -119.9 | 141.1 | 0 | 0 | 0 | 112.7 | ||||
| 98 | S | 30.1 | Very low | 33 | Very low | 95 Ų | 95 | 137.9 Ų | 137.9 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | trans | -72.1 | 156.6 | -178.1 | 53.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 99 | A | 32.4 | Very low | 33.1 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | -163.4 | 120 | 124.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 100 | H | 34.7 | Very low | 33.2 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 69% | 0.694 | 78% | 0.784 | S | S | * | * | trans | -75.1 | 150.3 | 161.8 | -141.1 | -87.3 | 0 | 0 | 0 | 108.6 | ||||
| 101 | I | 35.4 | Very low | 33.5 | Very low | 169 Ų | 169 | 144.4 Ų | 144.4 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | -176.4 | 132.3 | 132 | -87.9 | 150.4 | 0 | 0 | 0 | 108.6 | ||||
| 102 | Q | 34.2 | Very low | 34.1 | Very low | 157 Ų | 157 | 141 Ų | 141 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -92.4 | 157.7 | -176.2 | -64 | 174.1 | -44.8 | 0 | 0 | 112.2 | ||||
| 103 | S | 33.3 | Very low | 34.3 | Very low | 91 Ų | 91 | 144.2 Ų | 144.2 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | trans | 43.6 | 127.2 | 132.5 | 175 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 104 | S | 32 | Very low | 34.5 | Very low | 124 Ų | 124 | 144.7 Ų | 144.7 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | trans | -155.4 | 139.7 | 133 | -74.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 105 | F | 32.2 | Very low | 34.7 | Very low | 180 Ų | 180 | 141 Ų | 141 | 79% | 0.789 | 78% | 0.784 | S | S | * | * | trans | -66 | 155.6 | 179.2 | -78.3 | -111.6 | 0 | 0 | 0 | 114.4 | ||||
| 106 | S | 27.4 | Very low | 34.4 | Very low | 121 Ų | 121 | 141.5 Ų | 141.5 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | -167.1 | 128.9 | 121.4 | -87.2 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 107 | T | 32.7 | Very low | 34.3 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | -66.3 | 146.8 | 169.3 | 40.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 108 | H | 35.1 | Very low | 34.3 | Very low | 179 Ų | 179 | 136.4 Ų | 136.4 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | trans | -157.3 | 120.8 | 139.9 | -93.6 | -74.6 | 0 | 0 | 0 | 112.2 | ||||
| 109 | H | 34.1 | Very low | 34.9 | Very low | 179 Ų | 179 | 137.4 Ų | 137.4 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | trans | 62.5 | 121.2 | 139.8 | -97.3 | -94.2 | 0 | 0 | 0 | 123.5 | ||||
| 110 | E | 34.3 | Very low | 34.8 | Very low | 169 Ų | 169 | 137.4 Ų | 137.4 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -72 | 150.1 | 160.6 | -66.7 | -146.8 | 99.2 | 0 | 0 | 113.4 | ||||
| 111 | L | 34.8 | Very low | 34.8 | Very low | 159 Ų | 159 | 141.3 Ų | 141.3 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | 177.7 | 160.1 | 111.7 | -90.4 | 176.7 | 0 | 0 | 0 | 111.3 | |||||
| 112 | P | 42.9 | Very low | 35.1 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | trans | -97.9 | 149.4 | -152.7 | 37.7 | -34.7 | 0 | 0 | 0 | 113.4 | ||||
| 113 | L | 31.2 | Very low | 35 | Very low | 170 Ų | 170 | 140.4 Ų | 140.4 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | trans | -126.7 | 124.3 | 165.6 | -72.6 | 170.5 | 0 | 0 | 0 | 110.4 | ||||
| 114 | T | 37.5 | Very low | 35 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | -42.3 | 150.7 | 167.8 | 46.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 115 | P | 42.7 | Very low | 35 | Very low | 118 Ų | 118 | 144.7 Ų | 144.7 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 141.9 | 179.3 | 30.4 | -33.4 | 0 | 0 | 0 | 111.5 | ||
| 116 | P | 38.7 | Very low | 35 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 132.1 | 165.1 | 29 | -30.2 | 0 | 0 | 0 | 110 | ||
| 117 | A | 32.6 | Very low | 35.5 | Very low | 85 Ų | 85 | 140.5 Ų | 140.5 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -68 | 162.7 | 165 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 118 | D | 32.6 | Very low | 35.6 | Very low | 143 Ų | 143 | 141.5 Ų | 141.5 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | trans | 87.9 | 147.6 | 165.2 | -71.2 | -32.7 | 0 | 0 | 0 | 119.3 | ||||
| 119 | P | 41.6 | Very low | 35.6 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | cis | -127.7 | 148.7 | 19.8 | 35.1 | -16.2 | 0 | 0 | 0 | 117 | Y121 | P119-Y121 PolarHBondContact O-N 3.31Š| ||
| 120 | S | 31.2 | Very low | 35.7 | Very low | 102 Ų | 102 | 142 Ų | 142 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | -31.8 | 125 | 156.5 | -62.7 | 0 | 0 | 0 | 0 | 114.4 | P122 | S120-P122 WeakPolarHBondContact O-CD 3.28Š| ||
| 121 | Y | 33.6 | Very low | 35.9 | Very low | 232 Ų | 232 | 141.4 Ų | 141.4 | 91% | 0.91 | 78% | 0.778 | S | S | * | * | trans | -65.3 | 131.2 | 162.9 | -90.2 | -94.7 | 0 | 0 | 0 | 110.8 | P119 | P119-Y121 PolarHBondContact O-N 3.31Š| ||
| 122 | P | 43.5 | Very low | 36.3 | Very low | 105 Ų | 105 | 140 Ų | 140 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | trans | -123.9 | 98.1 | 162.5 | 33.8 | -16.4 | 0 | 0 | 0 | 109.5 | S120 | S120-P122 WeakPolarHBondContact O-CD 3.28Š| ||
| 123 | Y | 31.6 | Very low | 35.6 | Very low | 203 Ų | 203 | 141 Ų | 141 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | trans | -147.6 | 81.7 | 160.5 | -107.5 | -89.3 | 0 | 0 | 0 | 109.7 | F125 | Y123-F125 AromaticContact CD1-CD2 3.43Å; Y123-F125 HydrophobicContact CD1-CD2 3.43Å; Y123-F125 VanDerWaalsContact CD1-CD2 3.43Å; Y123-F125 AromaticContact CD1-CE2 3.32Å; Y123-F125 HydrophobicContact CD1-CE2 3.32Å; Y123-F125 AromaticContact CE1-CD2 3.71Å; Y123-F125 HydrophobicContact CE1-CD2 3.71Å; Y123-F125 AromaticContact CE1-CE2 3.11Å; Y123-F125 HydrophobicContact CE1-CE2 3.11Å; Y123-F125 HydrophobicContact CE1-CZ 4.01Å; Y123-F125 HydrophobicContact CG-CE2 4.48Å | ||
| 124 | D | 32.9 | Very low | 36 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | -92.4 | 110.1 | 165.1 | -153.8 | -31.5 | 0 | 0 | 0 | 107.1 | ||||
| 125 | F | 31.7 | Very low | 35.9 | Very low | 166 Ų | 166 | 140.5 Ų | 140.5 | 73% | 0.728 | 79% | 0.786 | S | S | * | * | trans | -117.4 | 84 | 165.8 | -89 | -96.3 | 0 | 0 | 0 | 108.4 | Y123 | Y123-F125 AromaticContact CD1-CD2 3.43Å; Y123-F125 HydrophobicContact CD1-CD2 3.43Å; Y123-F125 VanDerWaalsContact CD1-CD2 3.43Å; Y123-F125 AromaticContact CD1-CE2 3.32Å; Y123-F125 HydrophobicContact CD1-CE2 3.32Å; Y123-F125 AromaticContact CE1-CD2 3.71Å; Y123-F125 HydrophobicContact CE1-CD2 3.71Å; Y123-F125 AromaticContact CE1-CE2 3.11Å; Y123-F125 HydrophobicContact CE1-CE2 3.11Å; Y123-F125 HydrophobicContact CE1-CZ 4.01Å; Y123-F125 HydrophobicContact CG-CE2 4.48Å | ||
| 126 | S | 32 | Very low | 35.7 | Very low | 91 Ų | 91 | 144 Ų | 144 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 134.1 | 158.5 | -76.4 | 0 | 0 | 0 | 0 | 109.8 | V128 | S126-V128 PolarHBondContact O-N 3.37Š|
| 127 | P | 37.9 | Very low | 35.5 | Very low | 123 Ų | 123 | 142.5 Ų | 142.5 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 123.6 | -176.4 | 28.6 | -31.9 | 0 | 0 | 0 | 111.4 | K129 | P127-K129 PolarHBondContact O-N 3.25Š|
| 128 | V | 34.5 | Very low | 35.4 | Very low | 134 Ų | 134 | 144.9 Ų | 144.9 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 123.7 | 176.7 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | S126 | S126-V128 PolarHBondContact O-N 3.37Š|
| 129 | K | 36.8 | Very low | 35.4 | Very low | 193 Ų | 193 | 146 Ų | 146 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 119.2 | 162.4 | -78.2 | 171 | 179.8 | 164.2 | 0 | 108.2 | P127 | P127-K129 PolarHBondContact O-N 3.25Š|
| 130 | M | 36.1 | Very low | 35.1 | Very low | 176 Ų | 176 | 145.5 Ų | 145.5 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 124.9 | 164.6 | -71.7 | -75.8 | -159.3 | 0 | 0 | 110.1 | ||
| 131 | L | 36.9 | Very low | 35 | Very low | 157 Ų | 157 | 147.2 Ų | 147.2 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -154.8 | 129.3 | 154 | -96 | 165.3 | 0 | 0 | 0 | 107.4 | ||||
| 132 | P | 42.9 | Very low | 34.8 | Very low | 129 Ų | 129 | 142 Ų | 142 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -87.3 | 142.8 | 175.5 | 32.8 | -29.7 | 0 | 0 | 0 | 111.3 | ||||
| 133 | C | 29.7 | Very low | 35.3 | Very low | 129 Ų | 129 | 142.6 Ų | 142.6 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | trans | -133.6 | 117.7 | 168.5 | -143.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 134 | S | 38.1 | Very low | 36.2 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -141.8 | 127.9 | 150.9 | 65 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 135 | M | 36.2 | Very low | 36.3 | Very low | 166 Ų | 166 | 138 Ų | 138 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -129.4 | 143.4 | 170.7 | -89 | -78.8 | 103.7 | 0 | 0 | 106.2 | ||||
| 136 | Q | 39.1 | Very low | 36.3 | Very low | 191 Ų | 191 | 141 Ų | 141 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | trans | 143.2 | 135.1 | 152.6 | -81.7 | 162.5 | 18.4 | 0 | 0 | 107.7 | ||||
| 137 | S | 33.1 | Very low | 36.5 | Very low | 98 Ų | 98 | 141.5 Ų | 141.5 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | cis | -161.4 | 157.9 | -5.5 | 56.8 | 0 | 0 | 0 | 0 | 105 | ||||
| 138 | L | 31.8 | Very low | 37.1 | Very low | 135 Ų | 135 | 141.3 Ų | 141.3 | 71% | 0.707 | 80% | 0.797 | S | S | * | * | -177 | 130.4 | 108.1 | -88.4 | 161 | 0 | 0 | 0 | 110.1 | |||||
| 139 | Q | 32.9 | Very low | 37 | Very low | 167 Ų | 167 | 139.2 Ų | 139.2 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | trans | 52.1 | 109.2 | 139.3 | -66.5 | 167.7 | -12.9 | 0 | 0 | 119.1 | ||||
| 140 | S | 33.9 | Very low | 36.8 | Very low | 105 Ų | 105 | 136.1 Ų | 136.1 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | 69.5 | 95.1 | 83.8 | 172.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 141 | T | 29.2 | Very low | 36.6 | Very low | 138 Ų | 138 | 132.2 Ų | 132.2 | 85% | 0.847 | 78% | 0.781 | S | S | * | * | -179.8 | 138.1 | 128.9 | 19.5 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 142 | C | 30.6 | Very low | 36.7 | Very low | 123 Ų | 123 | 136 Ų | 136 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | trans | -144.9 | 164.2 | 162.8 | -72.2 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 143 | P | 53 | Low | 36.3 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | cis | -123 | -162.1 | -34 | 35.8 | -15.5 | 0 | 0 | 0 | 109.7 | ||||
| 144 | P | 50.4 | Low | 36.5 | Very low | 121 Ų | 121 | 133.1 Ų | 133.1 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | -149.3 | 169.4 | 83.7 | 36.3 | -14.9 | 0 | 0 | 0 | 117.2 | |||||
| 145 | T | 34.6 | Very low | 37 | Very low | 123 Ų | 123 | 133.8 Ų | 133.8 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -35.8 | 137 | 171.4 | -34.5 | 0 | 0 | 0 | 0 | 118.8 | V147 | T145-V147 HydrophobicContact CG2-CG2 4.5Š| ||
| 146 | Y | 31.9 | Very low | 37.1 | Very low | 231 Ų | 231 | 130.1 Ų | 130.1 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | trans | -158.5 | 143.5 | 140.7 | -162.7 | -104.9 | 0 | 0 | 0 | 110.9 | ||||
| 147 | V | 36.8 | Very low | 37.2 | Very low | 101 Ų | 101 | 127.2 Ų | 127.2 | 61% | 0.612 | 78% | 0.778 | S | S | * | * | trans | -118.7 | -179.2 | -173.6 | -148.9 | 0 | 0 | 0 | 0 | 109.2 | T145 | T145-V147 HydrophobicContact CG2-CG2 4.5Š| ||
| 148 | P | 51.4 | Low | 37.8 | Very low | 119 Ų | 119 | 130 Ų | 130 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | -102 | 171.7 | -104.3 | 38.8 | -22.7 | 0 | 0 | 0 | 114.8 | |||||
| 149 | A | 31.1 | Very low | 38.4 | Very low | 90 Ų | 90 | 128.6 Ų | 128.6 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | trans | -151.7 | 112.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 150 | V | 32.6 | Very low | 39.3 | Very low | 128 Ų | 128 | 127 Ų | 127 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | 32.6 | 128.6 | 136.8 | -79.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 151 | S | 32.2 | Very low | 39.3 | Very low | 94 Ų | 94 | 131.1 Ų | 131.1 | 66% | 0.657 | 79% | 0.794 | S | S | * | * | trans | 54.8 | 127 | 133.3 | -48.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 152 | Y | 40.3 | Very low | 39.7 | Very low | 235 Ų | 235 | 133 Ų | 133 | 92% | 0.922 | 80% | 0.795 | S | S | * | * | -153.9 | 143.3 | 71.5 | -83.9 | -88.1 | 0 | 0 | 0 | 112.2 | |||||
| 153 | A | 32.7 | Very low | 40.5 | Very low | 101 Ų | 101 | 132.5 Ų | 132.5 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | -85.5 | 147.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 154 | A | 34.3 | Very low | 39.5 | Very low | 98 Ų | 98 | 132.3 Ų | 132.3 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | -159.7 | 152.5 | 154.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 155 | P | 48.5 | Very low | 38.5 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | -110.7 | 160.9 | -126.5 | 37.7 | -32.5 | 0 | 0 | 0 | 116.2 | |||||
| 156 | A | 37.8 | Very low | 38.5 | Very low | 89 Ų | 89 | 135.6 Ų | 135.6 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 153.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 157 | P | 43.2 | Very low | 38.5 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 84% | 0.844 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 143.1 | -176.4 | 29.5 | -32.7 | 0 | 0 | 0 | 113.9 | ||
| 158 | I | 45.5 | Very low | 38.2 | Very low | 157 Ų | 157 | 129.8 Ų | 129.8 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 138 | 179.4 | -60.6 | 161.1 | 0 | 0 | 0 | 110.5 | ||
| 159 | P | 44.6 | Very low | 38 | Very low | 105 Ų | 105 | 130 Ų | 130 | 68% | 0.682 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 144.3 | 165.9 | 32.7 | -31.1 | 0 | 0 | 0 | 112 | ||
| 160 | P | 51.7 | Low | 38 | Very low | 134 Ų | 134 | 131.8 Ų | 131.8 | 87% | 0.87 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 145.4 | 177.6 | 30.4 | -32.3 | 0 | 0 | 0 | 112.7 | ||
| 161 | Q | 33.8 | Very low | 37.8 | Very low | 191 Ų | 191 | 129.4 Ų | 129.4 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 155.3 | -177.7 | -56.5 | -149.9 | 28.7 | 0 | 0 | 113.2 | ||
| 162 | M | 36.3 | Very low | 37.9 | Very low | 176 Ų | 176 | 133.4 Ų | 133.4 | 87% | 0.867 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 165.2 | 167.7 | -68.7 | -101.2 | -172.5 | 0 | 0 | 112.6 | ||
| 163 | P | 47.1 | Very low | 37.5 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 74% | 0.74 | 82% | 0.815 | S | S | * | * | trans | -120.5 | 136.5 | 140.1 | 33.7 | -23 | 0 | 0 | 0 | 112.5 | ||||
| 164 | S | 33.3 | Very low | 37.4 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | trans | -76.4 | 146.1 | 173.6 | -47.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 165 | F | 29.7 | Very low | 37.5 | Very low | 193 Ų | 193 | 135.2 Ų | 135.2 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -133.8 | 116.7 | 156.6 | -86.5 | -85.7 | 0 | 0 | 0 | 111.4 | ||||
| 166 | V | 33.1 | Very low | 36.6 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | 55 | 105.1 | 133.7 | -167.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 167 | T | 31.9 | Very low | 36.4 | Very low | 141 Ų | 141 | 140.7 Ų | 140.7 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | 11.2 | 131.1 | 129.3 | -23.8 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 168 | G | 30.8 | Very low | 35.8 | Very low | 69 Ų | 69 | 145.4 Ų | 145.4 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | 141.4 | 152.6 | 146.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 169 | P | 47.8 | Very low | 35 | Very low | 124 Ų | 124 | 145.6 Ų | 145.6 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | -126.1 | 171.4 | -104.4 | 40.8 | -31 | 0 | 0 | 0 | 117.3 | |||||
| 170 | S | 31 | Very low | 34.2 | Very low | 126 Ų | 126 | 148.4 Ų | 148.4 | 88% | 0.881 | 82% | 0.817 | S | S | * | * | trans | 64.3 | 120.5 | 148 | -60.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 171 | G | 28.9 | Very low | 33.1 | Very low | 79 Ų | 79 | 147.3 Ų | 147.3 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | trans | -171.8 | 90.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 172 | L | 33.4 | Very low | 33.1 | Very low | 178 Ų | 178 | 144.2 Ų | 144.2 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | trans | -64.6 | 123.7 | 166.5 | -81.7 | 161.6 | 0 | 0 | 0 | 110.5 | ||||
| 173 | V | 31.6 | Very low | 32.8 | Very low | 137 Ų | 137 | 143.6 Ų | 143.6 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | trans | -150.8 | 111.2 | 148.3 | -169.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 174 | H | 31.8 | Very low | 32.6 | Very low | 177 Ų | 177 | 143.9 Ų | 143.9 | 82% | 0.819 | 81% | 0.811 | S | S | * | * | trans | 30 | 114.5 | 142.1 | -95.9 | 79.5 | 0 | 0 | 0 | 122.1 | ||||
| 175 | Q | 34.6 | Very low | 32.5 | Very low | 157 Ų | 157 | 141.8 Ų | 141.8 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | -34.8 | 125.8 | 140.3 | -178.1 | 179.6 | 22.2 | 0 | 0 | 113.8 | ||||
| 176 | Q | 31.1 | Very low | 32.5 | Very low | 184 Ų | 184 | 141.3 Ų | 141.3 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -142.7 | 109.8 | 146.1 | -162.4 | 131.1 | 43.9 | 0 | 0 | 111.7 | ||||
| 177 | Q | 32.8 | Very low | 32.6 | Very low | 149 Ų | 149 | 143.7 Ų | 143.7 | 70% | 0.696 | 82% | 0.817 | S | S | * | * | trans | -71.8 | 125 | 171.9 | -153.2 | 155.1 | -12.8 | 0 | 0 | 108.2 | ||||
| 178 | R | 30.4 | Very low | 33.1 | Very low | 229 Ų | 229 | 143.3 Ų | 143.3 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -123.2 | 105.6 | 166.7 | -144.6 | -175.1 | -82.2 | -128 | 4.5 | 108.5 | ||||
| 179 | Q | 29.4 | Very low | 33.5 | Very low | 161 Ų | 161 | 143.3 Ų | 143.3 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | -69.8 | 135.6 | 170.2 | -64.3 | -170 | -2.5 | 0 | 0 | 109.5 | ||||
| 180 | L | 27.3 | Very low | 33.1 | Very low | 165 Ų | 165 | 149.1 Ų | 149.1 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -139.7 | 113.5 | 155.6 | -74.9 | 175 | 0 | 0 | 0 | 108.6 | ||||
| 181 | S | 29.8 | Very low | 33.6 | Very low | 110 Ų | 110 | 152.5 Ų | 152.5 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -64.4 | 154.5 | 165.2 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 182 | P | 33.1 | Very low | 34.1 | Very low | 126 Ų | 126 | 151.6 Ų | 151.6 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -120.6 | 125.2 | 152.8 | 16.8 | 3.4 | 0 | 0 | 0 | 111.8 | ||||
| 183 | N | 29.6 | Very low | 34.2 | Very low | 164 Ų | 164 | 150.9 Ų | 150.9 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | trans | -82.3 | 165.7 | 162.6 | -108 | -22 | 0 | 0 | 0 | 110.5 | ||||
| 184 | P | 44 | Very low | 34.4 | Very low | 119 Ų | 119 | 153.4 Ų | 153.4 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -100.9 | 162.8 | -149.4 | 38.7 | -35.7 | 0 | 0 | 0 | 114.6 | ||||
| 185 | G | 30.2 | Very low | 34.5 | Very low | 69 Ų | 69 | 155 Ų | 155 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | 114.1 | 107.7 | 154.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 186 | E | 30.5 | Very low | 34.3 | Very low | 183 Ų | 183 | 151.2 Ų | 151.2 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | 166.4 | 102.8 | 123.3 | -88.1 | -179.4 | 172.7 | 0 | 0 | 109.6 | I188 | E186-I188 PolarHBondContact O-N 2.89Š| |||
| 187 | D | 34.6 | Very low | 34.3 | Very low | 171 Ų | 171 | 149.6 Ų | 149.6 | 91% | 0.914 | 78% | 0.784 | S | S | * | * | trans | -76.8 | 97.5 | 173.2 | -76.4 | -60.5 | 0 | 0 | 0 | 109.8 | P189 | D187-P189 WeakPolarHBondContact O-CD 3.04Š| ||
| 188 | I | 42.9 | Very low | 34.2 | Very low | 132 Ų | 132 | 150.6 Ų | 150.6 | 68% | 0.677 | 79% | 0.788 | S | S | * | * | trans | -93.6 | 114.3 | 165.4 | -54.9 | 174.9 | 0 | 0 | 0 | 108.2 | E186 | E186-I188 PolarHBondContact O-N 2.89Š| ||
| 189 | P | 37.8 | Very low | 34.3 | Very low | 70 Ų | 70 | 146.6 Ų | 146.6 | 46% | 0.455 | 79% | 0.789 | S | S | . | * | trans | -71.1 | 140.1 | 175.9 | 27 | -31.5 | 0 | 0 | 0 | 111.3 | D187 W191 S192 | D187-P189 WeakPolarHBondContact O-CD 3.04Å; P189-W191 PolarHBondContact O-N 3.34Å; P189-S192 PolarHBondContact O-N 2Å | ||
| 190 | W | 39.5 | Very low | 34.3 | Very low | 246 Ų | 246 | 141.6 Ų | 141.6 | 93% | 0.932 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | 0.4 | -170 | 67.1 | -88.8 | 0 | 0 | 0 | 117.8 | ||
| 191 | W | 43 | Very low | 34.4 | Very low | 196 Ų | 196 | 143.1 Ų | 143.1 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | 3.3 | 177.8 | 64.7 | -93.1 | 0 | 0 | 0 | 114.2 | P189 L193 | P189-W191 PolarHBondContact O-N 3.34Å; W191-L193 PolarHBondContact O-N 2.97Å |
| 192 | S | 39.4 | Very low | 34.2 | Very low | 61 Ų | 61 | 142.8 Ų | 142.8 | 43% | 0.427 | 78% | 0.781 | S | S | . | * | trans | -95.8 | 83.8 | 176.2 | -63.5 | 0 | 0 | 0 | 0 | 112.1 | P189 | P189-S192 PolarHBondContact O-N 2Š| ||
| 193 | L | 35.7 | Very low | 34 | Very low | 163 Ų | 163 | 142.4 Ų | 142.4 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | 174.2 | 109.4 | 139.8 | -116.3 | 89.8 | 0 | 0 | 0 | 110.4 | W191 | W191-L193 PolarHBondContact O-N 2.97Š| ||
| 194 | Q | 34.2 | Very low | 34 | Very low | 190 Ų | 190 | 139.8 Ų | 139.8 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | 173.1 | 108.3 | 128.6 | -101.7 | 177.5 | -16.3 | 0 | 0 | 111.2 | |||||
| 195 | Q | 34.6 | Very low | 33.4 | Very low | 209 Ų | 209 | 142.3 Ų | 142.3 | 98% | 0.977 | 78% | 0.781 | S | S | * | * | trans | -147.9 | 133.8 | 132.2 | -74.6 | -147.2 | 17.6 | 0 | 0 | 108 | ||||
| 196 | G | 29.5 | Very low | 33.3 | Very low | 79 Ų | 79 | 142.2 Ų | 142.2 | 81% | 0.814 | 78% | 0.78 | S | S | * | * | trans | 164.5 | 102.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 197 | N | 32.2 | Very low | 33.8 | Very low | 150 Ų | 150 | 139.2 Ų | 139.2 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -68.6 | 153.2 | 177.2 | -98.6 | -17.8 | 0 | 0 | 0 | 114 | ||||
| 198 | H | 31.6 | Very low | 33.8 | Very low | 169 Ų | 169 | 139.8 Ų | 139.8 | 78% | 0.782 | 77% | 0.773 | S | S | * | * | trans | 17.6 | 129.9 | 144.6 | -69.9 | -91.8 | 0 | 0 | 0 | 120.6 | ||||
| 199 | V | 31 | Very low | 33.1 | Very low | 146 Ų | 146 | 144.9 Ų | 144.9 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | -160.2 | 136.7 | 111 | 174.4 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 200 | G | 29.3 | Very low | 32.7 | Very low | 56 Ų | 56 | 150.2 Ų | 150.2 | 58% | 0.577 | 80% | 0.8 | S | S | * | * | trans | -95.7 | 160.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 201 | H | 29.3 | Very low | 32.4 | Very low | 197 Ų | 197 | 147.5 Ų | 147.5 | 91% | 0.912 | 80% | 0.798 | S | S | * | * | trans | -164.9 | 139.5 | 135.4 | -93.6 | -71.4 | 0 | 0 | 0 | 109.5 | ||||
| 202 | S | 27.4 | Very low | 31.8 | Very low | 103 Ų | 103 | 146 Ų | 146 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | trans | -72.6 | 149.6 | -174.6 | 44.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 203 | S | 28.4 | Very low | 31.5 | Very low | 118 Ų | 118 | 152.3 Ų | 152.3 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | -176.8 | 109.1 | 124.4 | -75.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 204 | S | 28.2 | Very low | 31.5 | Very low | 108 Ų | 108 | 156.5 Ų | 156.5 | 76% | 0.755 | 83% | 0.831 | S | S | * | * | trans | 27.2 | 117.4 | 136.5 | 174.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 205 | L | 31.2 | Very low | 31.5 | Very low | 173 Ų | 173 | 150.7 Ų | 150.7 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | -173.4 | 130.4 | 120.5 | -94.5 | 159.9 | 0 | 0 | 0 | 108.7 | |||||
| 206 | G | 29.9 | Very low | 31.6 | Very low | 66 Ų | 66 | 148.3 Ų | 148.3 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | trans | -129.6 | -170.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 207 | P | 40.6 | Very low | 32.3 | Very low | 120 Ų | 120 | 150.9 Ų | 150.9 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | cis | -127.4 | 129.1 | -29.2 | 33.7 | -16.6 | 0 | 0 | 0 | 111.5 | ||||
| 208 | H | 33.2 | Very low | 32.6 | Very low | 184 Ų | 184 | 150.1 Ų | 150.1 | 85% | 0.852 | 81% | 0.81 | S | S | * | * | trans | -100.1 | 106.6 | 159.4 | -96.3 | -88 | 0 | 0 | 0 | 109.3 | F210 | H208-F210 PolarHBondContact O-N 3.35Å; H208-F210 VanDerWaalsContact O-N 3.15Å | ||
| 209 | R | 28.8 | Very low | 33 | Very low | 238 Ų | 238 | 143.4 Ų | 143.4 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | trans | -68.7 | 99.7 | 170.5 | -80.4 | 175.9 | 124 | 158.2 | -1.2 | 109.3 | ||||
| 210 | F | 30.2 | Very low | 33.8 | Very low | 182 Ų | 182 | 144.7 Ų | 144.7 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | trans | -100.9 | 112.5 | 151.9 | -83.9 | -83.8 | 0 | 0 | 0 | 107.9 | H208 L212 | H208-F210 PolarHBondContact O-N 3.35Å; H208-F210 VanDerWaalsContact O-N 3.15Å; F210-L212 PolarHBondContact O-N 3.34Å | ||
| 211 | Q | 31.7 | Very low | 34.9 | Very low | 190 Ų | 190 | 146.2 Ų | 146.2 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | trans | -64.5 | 97 | 171.3 | -82.4 | 174.1 | -30.6 | 0 | 0 | 109 | Q213 | Q211-Q213 PolarHBondContact O-N 2.99Š| ||
| 212 | L | 31.1 | Very low | 36 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | trans | -70.9 | 111.5 | 158.2 | -76.7 | 163.4 | 0 | 0 | 0 | 107.5 | F210 R214 | F210-L212 PolarHBondContact O-N 3.34Å; L212-R214 PolarHBondContact O-N 3Å | ||
| 213 | Q | 32.8 | Very low | 36.9 | Very low | 193 Ų | 193 | 141.7 Ų | 141.7 | 90% | 0.902 | 75% | 0.749 | S | S | * | * | trans | -61.7 | 100.3 | 165.7 | -82.7 | -177.7 | -24.4 | 0 | 0 | 108.7 | Q211 G215 | Q211-Q213 PolarHBondContact O-N 2.99Å; Q213-G215 PolarHBondContact O-N 3.4Å | ||
| 214 | R | 35.5 | Very low | 38.1 | Very low | 251 Ų | 251 | 138.5 Ų | 138.5 | 95% | 0.947 | 73% | 0.729 | S | S | * | * | trans | -60.7 | 120.9 | 153.4 | -86 | 177.4 | 165.7 | 159.1 | -4 | 107.6 | L212 | L212-R214 PolarHBondContact O-N 3Š| ||
| 215 | G | 35.9 | Very low | 39.2 | Very low | 67 Ų | 67 | 138.7 Ų | 138.7 | 69% | 0.691 | 72% | 0.718 | S | S | * | * | trans | 163.3 | 68.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q213 | Q213-G215 PolarHBondContact O-N 3.4Š| ||
| 216 | L | 36.8 | Very low | 40.3 | Very low | 160 Ų | 160 | 133.7 Ų | 133.7 | 84% | 0.838 | 69% | 0.688 | S | S | * | * | trans | -148.2 | 73.1 | 144.8 | -99 | 165.7 | 0 | 0 | 0 | 106.5 | L218 | L216-L218 VanDerWaalsContact C-N 3.29Å; L216-L218 PolarHBondContact O-N 3.45Å; L216-L218 VanDerWaalsContact O-N 3.09Å | ||
| 217 | V | 42.2 | Very low | 41.4 | Very low | 133 Ų | 133 | 132.9 Ų | 132.9 | 81% | 0.806 | 67% | 0.666 | S | S | * | * | trans | -66.4 | 100.2 | 156.2 | 175.6 | 0 | 0 | 0 | 0 | 104.4 | G219 | V217-G219 PolarHBondContact O-N 3.2Š| ||
| 218 | L | 39.8 | Very low | 42.4 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 70% | 0.696 | 66% | 0.657 | S | S | * | * | trans | -55.1 | 113.7 | 166.4 | -79.5 | 163.4 | 0 | 0 | 0 | 106.5 | L216 | L216-L218 VanDerWaalsContact C-N 3.29Å; L216-L218 PolarHBondContact O-N 3.45Å; L216-L218 VanDerWaalsContact O-N 3.09Å | ||
| 219 | G | 39.8 | Very low | 43.5 | Very low | 28 Ų | 28 | 128.7 Ų | 128.7 | 29% | 0.289 | 64% | 0.643 | S | S | . | * | trans | -60.3 | 148.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | V217 T221 D222 | V217-G219 PolarHBondContact O-N 3.2Å; G219-T221 PolarHBondContact O-N 2.88Å; G219-D222 PolarHBondContact O-N 3.44Å | ||
| 220 | H | 47.7 | Very low | 45 | Very low | 174 Ų | 174 | 117.7 Ų | 117.7 | 81% | 0.806 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -50.4 | -15.8 | 167.9 | -89.8 | -96.7 | 0 | 0 | 0 | 113.4 | A224 | H220-A224 WeakPolarHBondContact O-CB 3.02Å; H220-A224 PolarHBondContact O-N 3.39Å |
| 221 | T | 53 | Low | 46.3 | Very low | 87 Ų | 87 | 110.2 Ų | 110.2 | 53% | 0.534 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.2 | -36.4 | 173.6 | 50.9 | 0 | 0 | 0 | 0 | 113.4 | G219 Q225 | G219-T221 PolarHBondContact O-N 2.88Å; T221-Q225 WeakPolarHBondContact O-CB 3.49Å; T221-Q225 WeakPolarHBondContact O-CG 3.39Å; T221-Q225 PolarHBondContact O-N 3.25Å |
| 222 | D | 51.3 | Low | 47.7 | Very low | 72 Ų | 72 | 103.6 Ų | 103.6 | 39% | 0.385 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -79.6 | -34.1 | -174.5 | -62.2 | -17.6 | 0 | 0 | 0 | 111.4 | G219 Q225 Y226 | G219-D222 PolarHBondContact O-N 3.44Å; D222-Q225 PolarHBondContact O-N 3.35Å; D222-Y226 VanDerWaalsContact O-CB 3.26Å; D222-Y226 WeakPolarHBondContact O-CB 3.47Å; D222-Y226 PolarHBondContact O-N 3.15Å |
| 223 | F | 46.9 | Very low | 49.1 | Very low | 134 Ų | 134 | 101.8 Ų | 101.8 | 59% | 0.588 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.1 | -40.9 | 172.2 | -170.9 | -99.5 | 0 | 0 | 0 | 111.5 | Y226 Q227 | F223-Y226 PolarHBondContact O-N 3.39Å; F223-Q227 HydrophobicContact CD1-CG 4.09Å; F223-Q227 HydrophobicContact CE1-CG 3.84Å; F223-Q227 HydrophobicContact CZ-CG 4.22Å; F223-Q227 WeakPolarHBondContact O-CB 3.49Å; F223-Q227 WeakPolarHBondContact O-CG 3.47Å; F223-Q227 PolarHBondContact O-N 3.46Å |
| 224 | A | 52.8 | Low | 50.2 | Low | 50 Ų | 50 | 94.9 Ų | 94.9 | 41% | 0.413 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | H220 Q227 T228 | H220-A224 WeakPolarHBondContact O-CB 3.02Å; H220-A224 PolarHBondContact O-N 3.39Å; A224-Q227 PolarHBondContact O-N 3.49Å; A224-T228 VanDerWaalsContact O-CB 3.29Å; A224-T228 WeakPolarHBondContact O-CB 3.12Å; A224-T228 PolarHBondContact O-N 2.83Å; A224-T228 PolarHBondContact O-OG1 3.47Å |
| 225 | Q | 52.7 | Low | 50.9 | Low | 112 Ų | 112 | 89.3 Ų | 89.3 | 52% | 0.523 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 174.5 | -77 | -179.3 | 13.3 | 0 | 0 | 111.9 | T221 D222 T228 Q229 | T221-Q225 WeakPolarHBondContact O-CB 3.49Å; T221-Q225 WeakPolarHBondContact O-CG 3.39Å; T221-Q225 PolarHBondContact O-N 3.25Å; D222-Q225 PolarHBondContact O-N 3.35Å; Q225-T228 PolarHBondContact O-N 2.94Å; Q225-Q229 WeakPolarHBondContact O-CB 3.06Å; Q225-Q229 VanDerWaalsContact O-CG 3.24Å; Q225-Q229 WeakPolarHBondContact O-CG 3.4Å; Q225-Q229 PolarHBondContact O-N 3.08Å |
| 226 | Y | 53.6 | Low | 51.4 | Low | 69 Ų | 69 | 90.2 Ų | 90.2 | 27% | 0.271 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 176.2 | -177.7 | -104.7 | 0 | 0 | 0 | 112.2 | D222 F223 T228 Q229 I230 I273 | D222-Y226 VanDerWaalsContact O-CB 3.26Å; D222-Y226 WeakPolarHBondContact O-CB 3.47Å; D222-Y226 PolarHBondContact O-N 3.15Å; F223-Y226 PolarHBondContact O-N 3.39Å; Y226-T228 VanDerWaalsContact C-N 3.32Å; Y226-T228 PolarHBondContact O-N 3.06Å; Y226-Q229 PolarHBondContact O-N 2.78Å; Y226-I230 HydrophobicContact CD1-CD1 3.65Å; Y226-I230 HydrophobicContact CD2-CD1 4.38Å; Y226-I230 HydrophobicContact CE1-CD1 3.2Å; Y226-I230 HydrophobicContact CE1-CG1 4.44Å; Y226-I230 HydrophobicContact CE2-CD1 4Å; Y226-I230 HydrophobicContact CG-CD1 4.23Å; Y226-I230 WeakPolarHBondContact O-CG1 3.37Å; Y226-I230 PolarHBondContact O-N 2.59Å; Y226-I273 HydrophobicContact CE2-CG2 4.44Å; Y226-I273 WeakPolarHBondContact OH-CD1 3.5Å; Y226-I273 WeakPolarHBondContact OH-CG2 3.37Å |
| 227 | Q | 53.1 | Low | 52 | Low | 48 Ų | 48 | 91.7 Ų | 91.7 | 22% | 0.224 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 173.5 | -74.1 | -68.2 | -13.2 | 0 | 0 | 111.9 | F223 A224 I230 A231 S294 | F223-Q227 HydrophobicContact CD1-CG 4.09Å; F223-Q227 HydrophobicContact CE1-CG 3.84Å; F223-Q227 HydrophobicContact CZ-CG 4.22Å; F223-Q227 WeakPolarHBondContact O-CB 3.49Å; F223-Q227 WeakPolarHBondContact O-CG 3.47Å; F223-Q227 PolarHBondContact O-N 3.46Å; A224-Q227 PolarHBondContact O-N 3.49Å; Q227-I230 PolarHBondContact O-N 2.87Å; Q227-A231 VanDerWaalsContact O-CB 3.24Å; Q227-A231 WeakPolarHBondContact O-CB 3.34Å; Q227-A231 PolarHBondContact O-N 3.19Å; Q227-S294 PolarHBondContact NE2-O 2.88Å; Q227-S294 VanDerWaalsContact NE2-O 3.07Å; Q227-S294 PolarHBondContact OE1-O 3.33Å; Q227-S294 PolarHBondContact OE1-OG 2.99Å |
| 228 | T | 62.1 | Low | 51.8 | Low | 94 Ų | 94 | 87.7 Ų | 87.7 | 58% | 0.577 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -69 | -38.7 | 178.5 | -52.4 | 0 | 0 | 0 | 0 | 111.7 | A224 Q225 Y226 A231 A232 | A224-T228 VanDerWaalsContact O-CB 3.29Å; A224-T228 WeakPolarHBondContact O-CB 3.12Å; A224-T228 PolarHBondContact O-N 2.83Å; A224-T228 PolarHBondContact O-OG1 3.47Å; Q225-T228 PolarHBondContact O-N 2.94Å; Y226-T228 VanDerWaalsContact C-N 3.32Å; Y226-T228 PolarHBondContact O-N 3.06Å; T228-A231 PolarHBondContact O-N 2.81Å; T228-A232 VanDerWaalsContact O-CB 3.28Å; T228-A232 WeakPolarHBondContact O-CB 3.36Å; T228-A232 PolarHBondContact O-N 3.31Å |
| 229 | Q | 56.1 | Low | 52.1 | Low | 123 Ų | 123 | 87.2 Ų | 87.2 | 58% | 0.575 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.6 | -40.5 | 174.9 | -75.3 | 175.8 | 28 | 0 | 0 | 111.6 | Q225 Y226 A232 L233 | Q225-Q229 WeakPolarHBondContact O-CB 3.06Å; Q225-Q229 VanDerWaalsContact O-CG 3.24Å; Q225-Q229 WeakPolarHBondContact O-CG 3.4Å; Q225-Q229 PolarHBondContact O-N 3.08Å; Y226-Q229 PolarHBondContact O-N 2.78Å; Q229-A232 PolarHBondContact O-N 2.94Å; Q229-L233 VanDerWaalsContact O-CG 3.29Å; Q229-L233 WeakPolarHBondContact O-CG 3.43Å; Q229-L233 PolarHBondContact O-N 2.84Å |
| 230 | I | 60 | Low | 52.1 | Low | 6 Ų | 6 | 90.8 Ų | 90.8 | 3% | 0.031 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -69.6 | -43.7 | 175.4 | -63.1 | 165.8 | 0 | 0 | 0 | 111.1 | Y226 Q227 A232 L233 L234 H293 S294 | Y226-I230 HydrophobicContact CD1-CD1 3.65Å; Y226-I230 HydrophobicContact CD2-CD1 4.38Å; Y226-I230 HydrophobicContact CE1-CD1 3.2Å; Y226-I230 HydrophobicContact CE1-CG1 4.44Å; Y226-I230 HydrophobicContact CE2-CD1 4Å; Y226-I230 HydrophobicContact CG-CD1 4.23Å; Y226-I230 WeakPolarHBondContact O-CG1 3.37Å; Y226-I230 PolarHBondContact O-N 2.59Å; Q227-I230 PolarHBondContact O-N 2.87Å; I230-A232 VanDerWaalsContact C-N 3.27Å; I230-A232 PolarHBondContact O-N 3.39Å; I230-L233 WeakPolarHBondContact O-CB 3.47Å; I230-L233 PolarHBondContact O-N 3.23Å; I230-L233 VanDerWaalsContact O-N 3.09Å; I230-L234 HydrophobicContact CG2-CD1 3.83Å; I230-L234 HydrophobicContact CG2-CG 4.3Å; I230-L234 VanDerWaalsContact O-CG 3.29Å; I230-L234 WeakPolarHBondContact O-CG 3.34Å; I230-L234 PolarHBondContact O-N 3.46Å; I230-H293 HydrophobicContact CD1-CB 4.09Å; I230-S294 VanDerWaalsContact CG2-CB 3.48Å; I230-S294 WeakPolarHBondContact CG2-OG 3.49Å |
| 231 | A | 58.1 | Low | 51.9 | Low | 25 Ų | 25 | 86.9 Ų | 86.9 | 21% | 0.207 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -60.2 | -37 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q227 T228 L234 H235 | Q227-A231 VanDerWaalsContact O-CB 3.24Å; Q227-A231 WeakPolarHBondContact O-CB 3.34Å; Q227-A231 PolarHBondContact O-N 3.19Å; T228-A231 PolarHBondContact O-N 2.81Å; A231-L234 PolarHBondContact O-N 3.49Å; A231-H235 VanDerWaalsContact O-CB 3.25Å; A231-H235 WeakPolarHBondContact O-CB 3.43Å; A231-H235 PolarHBondContact O-N 3.07Å; A231-H235 PolarHBondContact O-ND1 3.37Å; A231-H235 VanDerWaalsContact O-ND1 3.11Å |
| 232 | A | 60.1 | Low | 51.6 | Low | 51 Ų | 51 | 89.8 Ų | 89.8 | 42% | 0.421 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.3 | -40 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T228 Q229 I230 L234 H235 T236 | T228-A232 VanDerWaalsContact O-CB 3.28Å; T228-A232 WeakPolarHBondContact O-CB 3.36Å; T228-A232 PolarHBondContact O-N 3.31Å; Q229-A232 PolarHBondContact O-N 2.94Å; I230-A232 VanDerWaalsContact C-N 3.27Å; I230-A232 PolarHBondContact O-N 3.39Å; A232-L234 PolarHBondContact O-N 3.49Å; A232-H235 PolarHBondContact O-N 2.89Å; A232-T236 WeakPolarHBondContact O-CG2 3.25Å; A232-T236 PolarHBondContact O-N 3.4Å |
| 233 | L | 61.2 | Low | 51.2 | Low | 127 Ų | 127 | 89.2 Ų | 89.2 | 67% | 0.665 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.3 | -28 | 173.4 | -69.2 | 170.6 | 0 | 0 | 0 | 112.4 | Q229 I230 | Q229-L233 VanDerWaalsContact O-CG 3.29Å; Q229-L233 WeakPolarHBondContact O-CG 3.43Å; Q229-L233 PolarHBondContact O-N 2.84Å; I230-L233 WeakPolarHBondContact O-CB 3.47Å; I230-L233 PolarHBondContact O-N 3.23Å; I230-L233 VanDerWaalsContact O-N 3.09Å |
| 234 | L | 56.2 | Low | 51.3 | Low | 48 Ų | 48 | 95.6 Ų | 95.6 | 25% | 0.251 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -85.9 | -32.6 | 177.7 | -65.1 | 172.6 | 0 | 0 | 0 | 113.3 | I230 A231 A232 E296 | I230-L234 HydrophobicContact CG2-CD1 3.83Å; I230-L234 HydrophobicContact CG2-CG 4.3Å; I230-L234 VanDerWaalsContact O-CG 3.29Å; I230-L234 WeakPolarHBondContact O-CG 3.34Å; I230-L234 PolarHBondContact O-N 3.46Å; A231-L234 PolarHBondContact O-N 3.49Å; A232-L234 PolarHBondContact O-N 3.49Å; L234-E296 VanDerWaalsContact CD1-OE2 3.23Å; L234-E296 WeakPolarHBondContact CD1-OE2 3.26Å |
| 235 | H | 48.6 | Very low | 51 | Low | 135 Ų | 135 | 96.2 Ų | 96.2 | 63% | 0.625 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -102.1 | 3.2 | -173 | -70.5 | 123 | 0 | 0 | 0 | 116.6 | A231 A232 K237 E296 | A231-H235 VanDerWaalsContact O-CB 3.25Å; A231-H235 WeakPolarHBondContact O-CB 3.43Å; A231-H235 PolarHBondContact O-N 3.07Å; A231-H235 PolarHBondContact O-ND1 3.37Å; A231-H235 VanDerWaalsContact O-ND1 3.11Å; A232-H235 PolarHBondContact O-N 2.89Å; H235-K237 VanDerWaalsContact C-N 3.29Å; H235-K237 PolarHBondContact O-N 3.02Å; H235-E296 IonicContact CE1-OE1 3.86Å |
| 236 | T | 46.5 | Very low | 50.5 | Low | 85 Ų | 85 | 94.5 Ų | 94.5 | 52% | 0.521 | 52% | 0.515 | S | S | . | . | trans | -65.8 | 80.1 | 179.4 | 44.9 | 0 | 0 | 0 | 0 | 114.2 | A232 | A232-T236 WeakPolarHBondContact O-CG2 3.25Å; A232-T236 PolarHBondContact O-N 3.4Å | ||
| 237 | K | 49.3 | Very low | 50.2 | Low | 191 Ų | 191 | 103.7 Ų | 103.7 | 83% | 0.83 | 55% | 0.549 | S | S | * | . | trans | -101.9 | 73.7 | 143.3 | -68.4 | -178.2 | -177.8 | 177.5 | 0 | 107.2 | H235 | H235-K237 VanDerWaalsContact C-N 3.29Å; H235-K237 PolarHBondContact O-N 3.02Å | ||
| 238 | S | 38.8 | Very low | 49.9 | Very low | 49 Ų | 49 | 111.6 Ų | 111.6 | 34% | 0.343 | 58% | 0.577 | S | S | . | * | trans | -98.5 | 146.8 | 177.5 | 61.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 239 | P | 45.3 | Very low | 49.2 | Very low | 124 Ų | 124 | 109.7 Ų | 109.7 | 81% | 0.805 | 57% | 0.567 | S | S | * | * | trans | -84.9 | 116.5 | 175.2 | 34 | -27.6 | 0 | 0 | 0 | 108.2 | ||||
| 240 | L | 40.9 | Very low | 48.8 | Very low | 102 Ų | 102 | 111.4 Ų | 111.4 | 53% | 0.534 | 57% | 0.568 | S | S | . | * | trans | -130.6 | 104.5 | 164 | -96.2 | 94.4 | 0 | 0 | 0 | 107.4 | R245 | L240-R245 VanDerWaalsContact CG-NH2 3.34Š| ||
| 241 | A | 43.3 | Very low | 48.4 | Very low | 93 Ų | 93 | 114.6 Ų | 114.6 | 77% | 0.769 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | 132.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 242 | T | 46.2 | Very low | 47.6 | Very low | 148 Ų | 148 | 119.5 Ų | 119.5 | 91% | 0.908 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.1 | 36.7 | 157.2 | -14.1 | 0 | 0 | 0 | 0 | 120 | ||
| 243 | A | 44.3 | Very low | 46.8 | Very low | 60 Ų | 60 | 123.2 Ų | 123.2 | 50% | 0.496 | 63% | 0.633 | S | S | . | * | trans | -123.6 | 120 | 150.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | R245 | A243-R245 PolarHBondContact O-N 3.29Š| ||
| 244 | R | 48.6 | Very low | 45.7 | Very low | 267 Ų | 267 | 121.6 Ų | 121.6 | 100% | 1.008 | 63% | 0.631 | S | S | * | * | trans | -63.1 | 86.1 | 176.2 | -77.6 | -171.4 | -173.5 | -139.4 | 2.2 | 109.4 | ||||
| 245 | R | 46.8 | Very low | 45.1 | Very low | 64 Ų | 64 | 127.4 Ų | 127.4 | 24% | 0.242 | 66% | 0.656 | C | S | . | * | trans | -67.9 | 134.1 | 170.9 | -118.3 | 168.4 | -78.4 | -114.3 | -29.1 | 108.6 | L240 A243 R247 R250 | L240-R245 VanDerWaalsContact CG-NH2 3.34Å; A243-R245 PolarHBondContact O-N 3.29Å; R245-R247 PolarHBondContact O-N 3.21Å; R245-R247 VanDerWaalsContact O-N 3.08Å; R245-R250 HydrophobicContact CG-CG 4.44Å | ||
| 246 | C | 41.5 | Very low | 45.1 | Very low | 75 Ų | 75 | 126.3 Ų | 126.3 | 51% | 0.507 | 66% | 0.664 | S | S | . | * | trans | -55.7 | 118.4 | 169.5 | 179.3 | 0 | 0 | 0 | 0 | 109.1 | R248 C249 R250 | C246-R248 PolarHBondContact O-N 2.83Å; C246-C249 PolarHBondContact O-N 3.3Å; C246-C249 VanDerWaalsContact SG-SG 3.67Å; C246-R250 PolarHBondContact O-N 3.25Å; C246-R250 VanDerWaalsContact O-N 3.17Å | ||
| 247 | R | 47.1 | Very low | 44.6 | Very low | 263 Ų | 263 | 127.2 Ų | 127.2 | 99% | 0.992 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -12.2 | -174.6 | -66.5 | -172.3 | -167.4 | -136.3 | 4 | 113.2 | R245 | R245-R247 PolarHBondContact O-N 3.21Å; R245-R247 VanDerWaalsContact O-N 3.08Å |
| 248 | R | 46.2 | Very low | 44.3 | Very low | 213 Ų | 213 | 124.1 Ų | 124.1 | 80% | 0.804 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -24.1 | -176.4 | -159.4 | 65.9 | 173 | -172.9 | -1.7 | 114.8 | C246 | C246-R248 PolarHBondContact O-N 2.83Š|
| 249 | C | 47.8 | Very low | 44.3 | Very low | 55 Ų | 55 | 126.6 Ų | 126.6 | 37% | 0.372 | 69% | 0.688 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -137.9 | -14.9 | -170.9 | 33.5 | 0 | 0 | 0 | 0 | 115.8 | C246 C251 | C246-C249 PolarHBondContact O-N 3.3Å; C246-C249 VanDerWaalsContact SG-SG 3.67Å; C249-C251 PolarHBondContact O-N 3.48Å; C249-C251 PolarHBondContact O-SG 3.5Å; C249-C251 VanDerWaalsContact O-SG 3.38Å |
| 250 | R | 47.8 | Very low | 43.8 | Very low | 159 Ų | 159 | 125.5 Ų | 125.5 | 60% | 0.6 | 68% | 0.684 | S | S | * | * | trans | 52.6 | 21.3 | 171.9 | -137.7 | 175.8 | -131.9 | -119.1 | 2 | 116 | R245 C246 | R245-R250 HydrophobicContact CG-CG 4.44Å; C246-R250 PolarHBondContact O-N 3.25Å; C246-R250 VanDerWaalsContact O-N 3.17Å | ||
| 251 | C | 52 | Low | 43.9 | Very low | 72 Ų | 72 | 128.3 Ų | 128.3 | 49% | 0.486 | 70% | 0.699 | S | S | . | * | trans | -87 | 148.3 | 174.7 | -60.4 | 0 | 0 | 0 | 0 | 111.9 | C249 | C249-C251 PolarHBondContact O-N 3.48Å; C249-C251 PolarHBondContact O-SG 3.5Å; C249-C251 VanDerWaalsContact O-SG 3.38Å | ||
| 252 | P | 42.1 | Very low | 44.3 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 83% | 0.831 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -80.6 | -13.3 | 178.7 | 28.7 | -30.9 | 0 | 0 | 0 | 114.7 | ||
| 253 | N | 42.3 | Very low | 44.2 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 70% | 0.695 | 69% | 0.689 | S | S | * | * | trans | -144.1 | 99.6 | 176.9 | -158.9 | -0.2 | 0 | 0 | 0 | 109.9 | ||||
| 254 | C | 37.7 | Very low | 45.1 | Very low | 92 Ų | 92 | 129.9 Ų | 129.9 | 62% | 0.622 | 70% | 0.7 | S | S | * | * | trans | -117.9 | 92.4 | 175.8 | -170.4 | 0 | 0 | 0 | 0 | 107 | S256 | C254-S256 PolarHBondContact O-N 3.46Š| ||
| 255 | Q | 43.1 | Very low | 45.6 | Very low | 170 Ų | 170 | 126.2 Ų | 126.2 | 79% | 0.794 | 69% | 0.692 | S | S | * | * | trans | -68.8 | 110.2 | 160.7 | -69.4 | -172.2 | 6 | 0 | 0 | 106.6 | S257 | Q255-S257 PolarHBondContact O-N 3.14Å; Q255-S257 VanDerWaalsContact O-N 3.09Å | ||
| 256 | S | 48.5 | Very low | 46.7 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 78% | 0.783 | 72% | 0.719 | S | S | * | * | trans | -55.3 | 108 | 174 | 46.1 | 0 | 0 | 0 | 0 | 110 | C254 | C254-S256 PolarHBondContact O-N 3.46Š| ||
| 257 | S | 37.9 | Very low | 48.2 | Very low | 104 Ų | 104 | 135 Ų | 135 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | trans | -101.6 | 97 | 154.3 | 38.5 | 0 | 0 | 0 | 0 | 107.9 | Q255 | Q255-S257 PolarHBondContact O-N 3.14Å; Q255-S257 VanDerWaalsContact O-N 3.09Å | ||
| 258 | T | 42.9 | Very low | 49.9 | Very low | 127 Ų | 127 | 128.9 Ų | 128.9 | 78% | 0.779 | 71% | 0.706 | S | S | * | * | trans | 41.2 | 85.8 | 147.4 | 61 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 259 | S | 37.8 | Very low | 51.6 | Low | 100 Ų | 100 | 120.9 Ų | 120.9 | 70% | 0.699 | 68% | 0.677 | S | S | * | * | trans | -103.8 | 91.4 | 145.2 | 61.5 | 0 | 0 | 0 | 0 | 107.2 | D261 | S259-D261 PolarHBondContact O-N 3.4Š| ||
| 260 | S | 35.2 | Very low | 53.3 | Low | 101 Ų | 101 | 122 Ų | 122 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | trans | -48.1 | 124 | 151.4 | -40.2 | 0 | 0 | 0 | 0 | 107.2 | E262 | S260-E262 PolarHBondContact O-N 3.29Š| ||
| 261 | D | 43.1 | Very low | 55 | Low | 161 Ų | 161 | 114.6 Ų | 114.6 | 86% | 0.861 | 65% | 0.652 | S | S | * | * | trans | -65.6 | 78.9 | 175 | -72.6 | -67.1 | 0 | 0 | 0 | 109.8 | S259 | S259-D261 PolarHBondContact O-N 3.4Š| ||
| 262 | E | 50.4 | Low | 56.4 | Low | 137 Ų | 137 | 119 Ų | 119 | 64% | 0.64 | 67% | 0.665 | S | S | * | * | trans | -98.9 | 112.9 | 167.6 | -93.6 | -66.8 | 130.8 | 0 | 0 | 108.7 | S260 G264 | S260-E262 PolarHBondContact O-N 3.29Å; E262-G264 VanDerWaalsContact C-N 3.33Å; E262-G264 PolarHBondContact O-N 2.97Å | ||
| 263 | P | 45.9 | Very low | 58 | Low | 126 Ų | 126 | 114.1 Ų | 114.1 | 82% | 0.818 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 86.9 | -179.1 | 27.8 | -31.6 | 0 | 0 | 0 | 110.3 | ||
| 264 | G | 61.9 | Low | 59.2 | Low | 72 Ų | 72 | 113.7 Ų | 113.7 | 74% | 0.742 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 165.6 | -19.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | E262 K266 | E262-G264 VanDerWaalsContact C-N 3.33Å; E262-G264 PolarHBondContact O-N 2.97Å; G264-K266 PolarHBondContact O-N 2.71Å |
| 265 | K | 59 | Low | 60.7 | Low | 190 Ų | 190 | 113.9 Ų | 113.9 | 83% | 0.826 | 65% | 0.653 | S | S | * | * | trans | -84.5 | 107.1 | 179.9 | -81.4 | 176.2 | -178.8 | 174.1 | 0 | 111.6 | K267 | K265-K267 PolarHBondContact O-N 2.96Š| ||
| 266 | K | 70.3 | Confident | 62.5 | Low | 187 Ų | 187 | 106.9 Ų | 106.9 | 81% | 0.813 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 120 | 173 | -66.3 | 174.3 | -176 | 169 | 0 | 109.4 | G264 Q268 | G264-K266 PolarHBondContact O-N 2.71Å; K266-Q268 PolarHBondContact O-N 3.18Å |
| 267 | K | 72.5 | Confident | 63.9 | Low | 137 Ų | 137 | 104 Ų | 104 | 60% | 0.596 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 121.6 | 178 | -166.7 | 165.7 | -173.7 | 164.9 | 0 | 110.1 | K265 | K265-K267 PolarHBondContact O-N 2.96Š|
| 268 | Q | 82.8 | Confident | 65.8 | Low | 133 Ų | 133 | 104.1 Ų | 104.1 | 62% | 0.621 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 152.8 | 179.5 | -65.3 | -178.3 | -5.6 | 0 | 0 | 111 | K266 V279 Y280 | K266-Q268 PolarHBondContact O-N 3.18Å; Q268-V279 HydrophobicContact CB-CG1 3.68Å; Q268-V279 HydrophobicContact CG-CG1 4.17Å; Q268-Y280 CarbonylContact C-O 3.21Å |
| 269 | H | 82 | Confident | 67.8 | Low | 46 Ų | 46 | 101.4 Ų | 101.4 | 21% | 0.213 | 58% | 0.581 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.5 | 111.5 | -176.6 | -63.3 | -72.6 | 0 | 0 | 0 | 109.2 | Y280 T283 L286 | H269-Y280 WeakPolarHBondContact CA-O 3.49Å; H269-Y280 WeakPolarHBondContact CB-O 3.35Å; H269-Y280 PolarHBondContact N-O 2.83Å; H269-Y280 PolarHBondContact O-N 2.66Å; H269-T283 PolarHBondContact CD2-N 2.85Å; H269-T283 VanDerWaalsContact CD2-N 3.28Å; H269-T283 WeakPolarHBondContact CE1-CG2 3.29Å; H269-T283 VanDerWaalsContact NE2-CG2 3.32Å; H269-T283 WeakPolarHBondContact NE2-CG2 3.29Å; H269-L286 HydrophobicContact CB-CB 4.02Å; H269-L286 HydrophobicContact CB-CD2 3.79Å; H269-L286 HydrophobicContact CB-CG 4.49Å |
| 270 | I | 83.1 | Confident | 70 | Confident | 78 Ų | 78 | 99 Ų | 99 | 40% | 0.4 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.5 | 139.9 | -171.5 | -52.1 | 175.5 | 0 | 0 | 0 | 109.6 | K278 V279 | I270-K278 CarbonylContact C-O 3.55Å; I270-V279 HydrophobicContact CG1-CG1 4.05Å; I270-V279 HydrophobicContact CG1-CG2 4Å; I270-V279 HydrophobicContact CG2-CG2 4.28Å |
| 271 | C | 84.8 | Confident | 72.4 | Confident | 4 Ų | 4 | 96.7 Ų | 96.7 | 3% | 0.027 | 55% | 0.549 | C | S | . | . | trans | -78.8 | 116.7 | 168.3 | -172.5 | 0 | 0 | 0 | 0 | 109.4 | I273 K278 L286 H289 | C271-I273 VanDerWaalsContact C-N 3.3Å; C271-K278 HydrophobicContact CB-CB 4.47Å; C271-K278 WeakPolarHBondContact CB-O 3.45Å; C271-K278 PolarHBondContact N-O 3.25Å; C271-L286 HydrophobicContact CB-CD1 3.88Å; C271-H289 PolarHBondContact SG-NE2 3.16Å | ||
| 272 | H | 80.5 | Confident | 74.3 | Confident | 165 Ų | 165 | 95.1 Ų | 95.1 | 76% | 0.764 | 53% | 0.534 | S | S | * | . | trans | -90.5 | 9.7 | -179.2 | -63.9 | -32.4 | 0 | 0 | 0 | 113.7 | ||||
| 273 | I | 77.2 | Confident | 75.7 | Confident | 24 Ų | 24 | 92.3 Ų | 92.3 | 12% | 0.123 | 53% | 0.527 | C | S | . | . | S | Bend | trans | -70.4 | 127.1 | 176.3 | -69.2 | 168.3 | 0 | 0 | 0 | 108.6 | Y226 C271 G275 C276 L290 H293 | Y226-I273 HydrophobicContact CE2-CG2 4.44Å; Y226-I273 WeakPolarHBondContact OH-CD1 3.5Å; Y226-I273 WeakPolarHBondContact OH-CG2 3.37Å; C271-I273 VanDerWaalsContact C-N 3.3Å; I273-G275 PolarHBondContact O-N 3.3Å; I273-C276 HydrophobicContact CB-CB 4.26Å; I273-C276 HydrophobicContact CG2-CB 4.45Å; I273-C276 PolarHBondContact O-N 3.38Å; I273-L290 HydrophobicContact CD1-CD2 3.63Å; I273-L290 HydrophobicContact CG1-CD2 4.45Å; I273-H293 HydrophobicContact CD1-CB 3.54Å; I273-H293 WeakPolarHBondContact CD1-CD2 3.44Å |
| 274 | P | 66.2 | Low | 77.3 | Confident | 122 Ų | 122 | 89.5 Ų | 89.5 | 79% | 0.792 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 128.1 | -178.9 | 21.7 | -31.6 | 0 | 0 | 0 | 110.1 | ||
| 275 | G | 69.7 | Low | 78.3 | Confident | 95 Ų | 95 | 90.6 Ų | 90.6 | 98% | 0.979 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | -3.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | I273 | I273-G275 PolarHBondContact O-N 3.3Š|
| 276 | C | 80.1 | Confident | 79.4 | Confident | 24 Ų | 24 | 82.9 Ų | 82.9 | 16% | 0.162 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -54.1 | 179.1 | -171.4 | 0 | 0 | 0 | 0 | 113.9 | I273 K278 H289 H293 | I273-C276 HydrophobicContact CB-CB 4.26Å; I273-C276 HydrophobicContact CG2-CB 4.45Å; I273-C276 PolarHBondContact O-N 3.38Å; C276-K278 PolarHBondContact O-N 3.47Å; C276-H289 PolarHBondContact SG-CE1 3.43Å; C276-H289 PolarHBondContact SG-NE2 3.22Å; C276-H293 PolarHBondContact SG-NE2 2.84Å |
| 277 | G | 77.4 | Confident | 79.7 | Confident | 51 Ų | 51 | 80 Ų | 80 | 53% | 0.526 | 45% | 0.451 | S | S | . | . | trans | 59 | 5.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 278 | K | 78.4 | Confident | 80 | Confident | 106 Ų | 106 | 74.4 Ų | 74.4 | 46% | 0.461 | 43% | 0.43 | S | S | . | . | trans | -68.8 | 138.8 | -172.8 | -68.2 | -177.3 | -173.8 | -177.2 | 0 | 112.6 | I270 C271 C276 Y280 | I270-K278 CarbonylContact C-O 3.55Å; C271-K278 HydrophobicContact CB-CB 4.47Å; C271-K278 WeakPolarHBondContact CB-O 3.45Å; C271-K278 PolarHBondContact N-O 3.25Å; C276-K278 PolarHBondContact O-N 3.47Å; K278-Y280 HydrophobicContact CB-CE2 3.68Å; K278-Y280 WeakPolarHBondContact CD-OH 3.29Å | ||
| 279 | V | 85.2 | Confident | 79.9 | Confident | 71 Ų | 71 | 69 Ų | 69 | 43% | 0.43 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 135 | -177.7 | -171.6 | 0 | 0 | 0 | 0 | 111.2 | Q268 I270 | Q268-V279 HydrophobicContact CB-CG1 3.68Å; Q268-V279 HydrophobicContact CG-CG1 4.17Å; I270-V279 HydrophobicContact CG1-CG1 4.05Å; I270-V279 HydrophobicContact CG1-CG2 4Å; I270-V279 HydrophobicContact CG2-CG2 4.28Å |
| 280 | Y | 84.9 | Confident | 79.7 | Confident | 49 Ų | 49 | 68.1 Ų | 68.1 | 19% | 0.192 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 135.3 | -175.9 | -62.2 | -81.5 | 0 | 0 | 0 | 111.5 | Q268 H269 K278 K282 H285 L286 H289 | Q268-Y280 CarbonylContact C-O 3.21Å; H269-Y280 WeakPolarHBondContact CA-O 3.49Å; H269-Y280 WeakPolarHBondContact CB-O 3.35Å; H269-Y280 PolarHBondContact N-O 2.83Å; H269-Y280 PolarHBondContact O-N 2.66Å; K278-Y280 HydrophobicContact CB-CE2 3.68Å; K278-Y280 WeakPolarHBondContact CD-OH 3.29Å; Y280-K282 PolarHBondContact O-N 3.16Å; Y280-H285 HydrophobicContact CD1-CB 3.66Å; Y280-H285 HydrophobicContact CE1-CB 4.47Å; Y280-H285 HydrophobicContact CG-CB 4.12Å; Y280-L286 HydrophobicContact CD2-CB 3.92Å; Y280-L286 HydrophobicContact CD2-CD1 3.73Å; Y280-L286 HydrophobicContact CD2-CG 4.44Å; Y280-L286 HydrophobicContact CE2-CD1 4.04Å; Y280-L286 HydrophobicContact CG-CB 4.28Å; Y280-H289 HydrophobicContact CE1-CB 4.24Å; Y280-H289 HydrophobicContact CE2-CB 3.76Å; Y280-H289 AromaticContact CE2-CD2 3.49Å; Y280-H289 VanDerWaalsContact CE2-CD2 3.49Å; Y280-H289 WeakPolarHBondContact CE2-CD2 3.44Å; Y280-H289 AromaticContact CE2-CG 3.63Å; Y280-H289 AromaticContact CZ-CD2 3.86Å; Y280-H289 AromaticContact CZ-CG 3.52Å; Y280-H289 WeakPolarHBondContact OH-CB 3.42Å; Y280-H289 PolarHBondContact OH-ND1 2.73Å; Y280-H289 VanDerWaalsContact OH-ND1 3.16Å |
| 281 | G | 84.9 | Confident | 79.5 | Confident | 52 Ų | 52 | 67.4 Ų | 67.4 | 54% | 0.536 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -75.1 | -5.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 282 | K | 82.3 | Confident | 78.8 | Confident | 128 Ų | 128 | 75.7 Ų | 75.7 | 56% | 0.557 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -138.2 | 140.4 | 180 | -65.4 | -176.1 | -178 | 179.5 | 0 | 111.1 | Y280 S284 H285 L286 | Y280-K282 PolarHBondContact O-N 3.16Å; K282-S284 VanDerWaalsContact C-N 3.27Å; K282-S284 PolarHBondContact O-N 3.31Å; K282-H285 PolarHBondContact O-N 2.7Å; K282-L286 PolarHBondContact O-N 3.14Å |
| 283 | T | 79.9 | Confident | 78.5 | Confident | 79 Ų | 79 | 69.3 Ų | 69.3 | 49% | 0.485 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -57.9 | -37.2 | 174.8 | 51 | 0 | 0 | 0 | 0 | 112.9 | H269 H285 L286 K287 | H269-T283 PolarHBondContact CD2-N 2.85Å; H269-T283 VanDerWaalsContact CD2-N 3.28Å; H269-T283 WeakPolarHBondContact CE1-CG2 3.29Å; H269-T283 VanDerWaalsContact NE2-CG2 3.32Å; H269-T283 WeakPolarHBondContact NE2-CG2 3.29Å; T283-H285 VanDerWaalsContact C-N 3.29Å; T283-H285 PolarHBondContact O-N 3.27Å; T283-L286 PolarHBondContact O-N 3.28Å; T283-K287 WeakPolarHBondContact O-CG 3.36Å; T283-K287 PolarHBondContact O-N 3.33Å |
| 284 | S | 80.2 | Confident | 78.2 | Confident | 66 Ų | 66 | 68.5 Ų | 68.5 | 46% | 0.462 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.7 | -35.9 | 179.4 | 55.1 | 0 | 0 | 0 | 0 | 112.5 | K282 A288 | K282-S284 VanDerWaalsContact C-N 3.27Å; K282-S284 PolarHBondContact O-N 3.31Å; S284-A288 WeakPolarHBondContact O-CB 3.49Å; S284-A288 PolarHBondContact O-N 2.82Å |
| 285 | H | 82.3 | Confident | 78.3 | Confident | 96 Ų | 96 | 65.1 Ų | 65.1 | 44% | 0.444 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -73.7 | -41.7 | 178.4 | -62.8 | 176.7 | 0 | 0 | 0 | 111.4 | Y280 K282 T283 K287 A288 H289 | Y280-H285 HydrophobicContact CD1-CB 3.66Å; Y280-H285 HydrophobicContact CE1-CB 4.47Å; Y280-H285 HydrophobicContact CG-CB 4.12Å; K282-H285 PolarHBondContact O-N 2.7Å; T283-H285 VanDerWaalsContact C-N 3.29Å; T283-H285 PolarHBondContact O-N 3.27Å; H285-K287 PolarHBondContact O-N 2.85Å; H285-A288 PolarHBondContact O-N 3.36Å; H285-H289 WeakPolarHBondContact O-CB 3.32Å; H285-H289 PolarHBondContact O-N 3.5Å |
| 286 | L | 81.8 | Confident | 78.4 | Confident | 27 Ų | 27 | 63.3 Ų | 63.3 | 14% | 0.141 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.8 | -46.3 | 172.7 | 177.2 | 64.3 | 0 | 0 | 0 | 110.7 | H269 C271 Y280 K282 T283 A288 H289 L290 | H269-L286 HydrophobicContact CB-CB 4.02Å; H269-L286 HydrophobicContact CB-CD2 3.79Å; H269-L286 HydrophobicContact CB-CG 4.49Å; C271-L286 HydrophobicContact CB-CD1 3.88Å; Y280-L286 HydrophobicContact CD2-CB 3.92Å; Y280-L286 HydrophobicContact CD2-CD1 3.73Å; Y280-L286 HydrophobicContact CD2-CG 4.44Å; Y280-L286 HydrophobicContact CE2-CD1 4.04Å; Y280-L286 HydrophobicContact CG-CB 4.28Å; K282-L286 PolarHBondContact O-N 3.14Å; T283-L286 PolarHBondContact O-N 3.28Å; L286-A288 PolarHBondContact O-N 3.29Å; L286-H289 WeakPolarHBondContact O-CB 3.32Å; L286-H289 PolarHBondContact O-N 3.2Å; L286-H289 VanDerWaalsContact O-N 3.14Å; L286-L290 HydrophobicContact CD1-CG 4.31Å; L286-L290 HydrophobicContact CG-CD1 4.24Å; L286-L290 HydrophobicContact CG-CG 4.42Å; L286-L290 WeakPolarHBondContact O-CG 3.44Å; L286-L290 PolarHBondContact O-N 3.39Å |
| 287 | K | 78.6 | Confident | 78.2 | Confident | 127 Ų | 127 | 67.7 Ų | 67.7 | 55% | 0.552 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -60.1 | -43.3 | 176.8 | -74.6 | -176.3 | 179.2 | -170.9 | 0 | 112.9 | T283 H285 H289 L290 R291 | T283-K287 WeakPolarHBondContact O-CG 3.36Å; T283-K287 PolarHBondContact O-N 3.33Å; H285-K287 PolarHBondContact O-N 2.85Å; K287-H289 VanDerWaalsContact C-N 3.3Å; K287-H289 PolarHBondContact O-N 3.13Å; K287-L290 PolarHBondContact O-N 3.09Å; K287-R291 PolarHBondContact O-N 3.02Å |
| 288 | A | 77.9 | Confident | 78.2 | Confident | 19 Ų | 19 | 68.7 Ų | 68.7 | 16% | 0.157 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.8 | -37.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S284 H285 L286 R291 R312 | S284-A288 WeakPolarHBondContact O-CB 3.49Å; S284-A288 PolarHBondContact O-N 2.82Å; H285-A288 PolarHBondContact O-N 3.36Å; L286-A288 PolarHBondContact O-N 3.29Å; A288-R291 WeakPolarHBondContact O-CB 3.28Å; A288-R291 PolarHBondContact O-N 3.19Å; A288-R312 HydrophobicContact CB-CG 4.13Å |
| 289 | H | 81.4 | Confident | 78.3 | Confident | 19 Ų | 19 | 66.4 Ų | 66.4 | 9% | 0.088 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 175 | 167 | 61.7 | 0 | 0 | 0 | 112.5 | C271 C276 Y280 H285 L286 K287 R291 W292 H293 | C271-H289 PolarHBondContact SG-NE2 3.16Å; C276-H289 PolarHBondContact SG-CE1 3.43Å; C276-H289 PolarHBondContact SG-NE2 3.22Å; Y280-H289 HydrophobicContact CE1-CB 4.24Å; Y280-H289 HydrophobicContact CE2-CB 3.76Å; Y280-H289 AromaticContact CE2-CD2 3.49Å; Y280-H289 VanDerWaalsContact CE2-CD2 3.49Å; Y280-H289 WeakPolarHBondContact CE2-CD2 3.44Å; Y280-H289 AromaticContact CE2-CG 3.63Å; Y280-H289 AromaticContact CZ-CD2 3.86Å; Y280-H289 AromaticContact CZ-CG 3.52Å; Y280-H289 WeakPolarHBondContact OH-CB 3.42Å; Y280-H289 PolarHBondContact OH-ND1 2.73Å; Y280-H289 VanDerWaalsContact OH-ND1 3.16Å; H285-H289 WeakPolarHBondContact O-CB 3.32Å; H285-H289 PolarHBondContact O-N 3.5Å; L286-H289 WeakPolarHBondContact O-CB 3.32Å; L286-H289 PolarHBondContact O-N 3.2Å; L286-H289 VanDerWaalsContact O-N 3.14Å; K287-H289 VanDerWaalsContact C-N 3.3Å; K287-H289 PolarHBondContact O-N 3.13Å; H289-R291 PolarHBondContact O-N 3.22Å; H289-W292 WeakPolarHBondContact O-CB 3.13Å; H289-W292 PolarHBondContact O-N 3.13Å; H289-H293 AromaticContact CE1-CD2 3.74Å; H289-H293 AromaticContact CE1-NE2 3.36Å; H289-H293 PolarHBondContact CE1-NE2 3.49Å; H289-H293 AromaticContact NE2-CD2 3.62Å; H289-H293 AromaticContact NE2-NE2 3.27Å; H289-H293 PolarHBondContact NE2-NE2 3.37Å |
| 290 | L | 77.5 | Confident | 78.2 | Confident | 28 Ų | 28 | 67 Ų | 67 | 15% | 0.147 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.3 | -27.3 | 176.9 | -69.4 | 173.2 | 0 | 0 | 0 | 112.7 | I273 L286 K287 W292 H293 S294 | I273-L290 HydrophobicContact CD1-CD2 3.63Å; I273-L290 HydrophobicContact CG1-CD2 4.45Å; L286-L290 HydrophobicContact CD1-CG 4.31Å; L286-L290 HydrophobicContact CG-CD1 4.24Å; L286-L290 HydrophobicContact CG-CG 4.42Å; L286-L290 WeakPolarHBondContact O-CG 3.44Å; L286-L290 PolarHBondContact O-N 3.39Å; K287-L290 PolarHBondContact O-N 3.09Å; L290-W292 PolarHBondContact O-N 3.16Å; L290-H293 WeakPolarHBondContact O-CB 3.49Å; L290-H293 PolarHBondContact O-N 2.95Å; L290-H293 VanDerWaalsContact O-N 3.08Å; L290-S294 PolarHBondContact O-N 3.4Å |
| 291 | R | 77.6 | Confident | 78.3 | Confident | 63 Ų | 63 | 64.8 Ų | 64.8 | 24% | 0.238 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.3 | -25.2 | 172.1 | -66.8 | 176 | -175.8 | 155.7 | 0.7 | 113.4 | K287 A288 H289 H293 G295 E296 T311 | K287-R291 PolarHBondContact O-N 3.02Å; A288-R291 WeakPolarHBondContact O-CB 3.28Å; A288-R291 PolarHBondContact O-N 3.19Å; H289-R291 PolarHBondContact O-N 3.22Å; R291-H293 VanDerWaalsContact C-N 3.33Å; R291-G295 WeakPolarHBondContact O-CA 3.39Å; R291-G295 PolarHBondContact O-N 2.79Å; R291-E296 PolarHBondContact O-N 3.18Å; R291-T311 HydrophobicContact CB-CG2 4.21Å; R291-T311 VanDerWaalsContact CD-O 3.26Å; R291-T311 WeakPolarHBondContact CD-O 3.49Å; R291-T311 PolarHBondContact NH1-O 2.76Å |
| 292 | W | 71 | Confident | 78.1 | Confident | 179 Ų | 179 | 70 Ų | 70 | 68% | 0.678 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -66.5 | -38 | 171.9 | -179.1 | 78.8 | 0 | 0 | 0 | 111.4 | H289 L290 | H289-W292 WeakPolarHBondContact O-CB 3.13Å; H289-W292 PolarHBondContact O-N 3.13Å; L290-W292 PolarHBondContact O-N 3.16Å |
| 293 | H | 73.9 | Confident | 78.1 | Confident | 31 Ų | 31 | 70 Ų | 70 | 14% | 0.144 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -75 | -37.5 | 176.1 | -70.6 | -75.5 | 0 | 0 | 0 | 113 | I230 I273 C276 H289 L290 R291 | I230-H293 HydrophobicContact CD1-CB 4.09Å; I273-H293 HydrophobicContact CD1-CB 3.54Å; I273-H293 WeakPolarHBondContact CD1-CD2 3.44Å; C276-H293 PolarHBondContact SG-NE2 2.84Å; H289-H293 AromaticContact CE1-CD2 3.74Å; H289-H293 AromaticContact CE1-NE2 3.36Å; H289-H293 PolarHBondContact CE1-NE2 3.49Å; H289-H293 AromaticContact NE2-CD2 3.62Å; H289-H293 AromaticContact NE2-NE2 3.27Å; H289-H293 PolarHBondContact NE2-NE2 3.37Å; L290-H293 WeakPolarHBondContact O-CB 3.49Å; L290-H293 PolarHBondContact O-N 2.95Å; L290-H293 VanDerWaalsContact O-N 3.08Å; R291-H293 VanDerWaalsContact C-N 3.33Å |
| 294 | S | 71.1 | Confident | 77.8 | Confident | 6 Ų | 6 | 73.5 Ų | 73.5 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -76 | -24.8 | 177.5 | -150.2 | 0 | 0 | 0 | 0 | 113 | Q227 I230 L290 E296 | Q227-S294 PolarHBondContact NE2-O 2.88Å; Q227-S294 VanDerWaalsContact NE2-O 3.07Å; Q227-S294 PolarHBondContact OE1-O 3.33Å; Q227-S294 PolarHBondContact OE1-OG 2.99Å; I230-S294 VanDerWaalsContact CG2-CB 3.48Å; I230-S294 WeakPolarHBondContact CG2-OG 3.49Å; L290-S294 PolarHBondContact O-N 3.4Å; S294-E296 PolarHBondContact O-N 3.07Å |
| 295 | G | 68.6 | Low | 77.7 | Confident | 51 Ų | 51 | 79.2 Ų | 79.2 | 53% | 0.526 | 38% | 0.384 | S | S | . | . | trans | 70.8 | 6.1 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R291 R297 | R291-G295 WeakPolarHBondContact O-CA 3.39Å; R291-G295 PolarHBondContact O-N 2.79Å; G295-R297 PolarHBondContact O-N 2.78Å | ||
| 296 | E | 71.9 | Confident | 77.9 | Confident | 58 Ų | 58 | 75.9 Ų | 75.9 | 27% | 0.271 | 37% | 0.372 | S | S | . | . | trans | -65.4 | 121.4 | 175.3 | -78.9 | -172 | -177.7 | 0 | 0 | 111.1 | L234 H235 R291 S294 P298 | L234-E296 VanDerWaalsContact CD1-OE2 3.23Å; L234-E296 WeakPolarHBondContact CD1-OE2 3.26Å; H235-E296 IonicContact CE1-OE1 3.86Å; R291-E296 PolarHBondContact O-N 3.18Å; S294-E296 PolarHBondContact O-N 3.07Å; E296-P298 VanDerWaalsContact C-CD 3.47Å; E296-P298 VanDerWaalsContact O-CD 3.27Å; E296-P298 WeakPolarHBondContact O-CD 3.36Å | ||
| 297 | R | 76.4 | Confident | 77.7 | Confident | 116 Ų | 116 | 77.3 Ų | 77.3 | 44% | 0.438 | 39% | 0.393 | S | S | . | . | trans | -120.6 | 75.5 | 179.9 | -64.4 | 172.2 | 82 | 101.9 | 2.3 | 110 | G295 F299 S309 F310 T311 | G295-R297 PolarHBondContact O-N 2.78Å; R297-F299 PolarHBondContact O-N 3.08Å; R297-F299 VanDerWaalsContact O-N 3.14Å; R297-S309 VanDerWaalsContact CB-CB 3.47Å; R297-S309 WeakPolarHBondContact CB-OG 3.42Å; R297-S309 WeakPolarHBondContact CD-OG 3.42Å; R297-S309 VanDerWaalsContact NE-C 3.3Å; R297-S309 PolarHBondContact NE-O 3.23Å; R297-S309 PolarHBondContact NE-OG 2.92Å; R297-S309 VanDerWaalsContact NE-OG 3.11Å; R297-S309 PolarHBondContact NH2-O 3.17Å; R297-F310 CarbonylContact C-O 3.41Å; R297-F310 VanDerWaalsContact CA-O 3.26Å; R297-F310 WeakPolarHBondContact CA-O 3.34Å; R297-T311 HydrophobicContact CG-CG2 4.04Å | ||
| 298 | P | 76.9 | Confident | 77.8 | Confident | 71 Ų | 71 | 77 Ų | 77 | 46% | 0.461 | 39% | 0.391 | S | S | . | . | trans | -69.1 | -11.3 | -172.3 | 26.4 | -34.2 | 0 | 0 | 0 | 114.1 | E296 | E296-P298 VanDerWaalsContact C-CD 3.47Å; E296-P298 VanDerWaalsContact O-CD 3.27Å; E296-P298 WeakPolarHBondContact O-CD 3.36Å | ||
| 299 | F | 81.1 | Confident | 78.1 | Confident | 59 Ų | 59 | 77.7 Ų | 77.7 | 26% | 0.259 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 97.8 | -176.6 | -59.6 | -76.2 | 0 | 0 | 0 | 110.8 | R297 S309 F310 T311 L316 | R297-F299 PolarHBondContact O-N 3.08Å; R297-F299 VanDerWaalsContact O-N 3.14Å; F299-S309 CarbonylContact O-C 3.45Å; F299-S309 VanDerWaalsContact O-CA 3.29Å; F299-S309 WeakPolarHBondContact O-CA 3.43Å; F299-F310 HydrophobicContact CB-CB 4.24Å; F299-F310 WeakPolarHBondContact CB-O 3.37Å; F299-F310 PolarHBondContact N-O 3.34Å; F299-F310 VanDerWaalsContact N-O 3.07Å; F299-F310 PolarHBondContact O-N 2.91Å; F299-T311 WeakPolarHBondContact CE2-O 3.47Å; F299-L316 HydrophobicContact CB-CB 3.93Å; F299-L316 HydrophobicContact CB-CD2 3.84Å; F299-L316 HydrophobicContact CB-CG 4.47Å |
| 300 | V | 81.4 | Confident | 78.2 | Confident | 82 Ų | 82 | 77.6 Ų | 77.6 | 50% | 0.497 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 138.1 | -177.6 | -169.8 | 0 | 0 | 0 | 0 | 111.3 | N302 | V300-N302 PolarHBondContact O-N 3.28Å |
| 301 | C | 87.1 | Confident | 78.2 | Confident | 3 Ų | 3 | 77.4 Ų | 77.4 | 2% | 0.02 | 40% | 0.395 | C | S | . | . | trans | -69.3 | 114.9 | 168.7 | -173.3 | 0 | 0 | 0 | 0 | 108.8 | W303 C306 K308 L316 H319 H323 | C301-W303 PolarHBondContact O-N 3.27Å; C301-C306 HydrophobicContact CB-CB 4.29Å; C301-K308 HydrophobicContact CB-CB 4.4Å; C301-K308 VanDerWaalsContact CB-O 3.23Å; C301-K308 WeakPolarHBondContact CB-O 3.31Å; C301-K308 PolarHBondContact N-O 2.9Å; C301-L316 HydrophobicContact CB-CD1 4.03Å; C301-H319 PolarHBondContact SG-NE2 2.86Å; C301-H323 PolarHBondContact SG-NE2 3.3Å; C301-H323 VanDerWaalsContact SG-NE2 3.4Å | ||
| 302 | N | 82 | Confident | 78.3 | Confident | 162 Ų | 162 | 80 Ų | 80 | 87% | 0.866 | 40% | 0.404 | S | S | * | . | trans | -79.4 | 6.3 | -178.9 | -156.6 | 38.9 | 0 | 0 | 0 | 113.2 | V300 L304 | V300-N302 PolarHBondContact O-N 3.28Å; N302-L304 PolarHBondContact O-N 3.31Å | ||
| 303 | W | 80.9 | Confident | 78.8 | Confident | 129 Ų | 129 | 74.6 Ų | 74.6 | 49% | 0.489 | 39% | 0.393 | S | S | . | . | trans | -72.2 | 124.8 | 174.6 | -163.6 | -77.4 | 0 | 0 | 0 | 109.4 | C301 F305 C306 H323 | C301-W303 PolarHBondContact O-N 3.27Å; W303-F305 PolarHBondContact O-N 3.09Å; W303-C306 HydrophobicContact CB-CB 3.89Å; W303-C306 PolarHBondContact O-N 3.47Å; W303-H323 AromaticContact CD1-CE1 3.93Å; W303-H323 AromaticContact CD1-ND1 3.95Å; W303-H323 HydrophobicContact CD2-CB 4.08Å; W303-H323 AromaticContact CD2-CG 3.79Å; W303-H323 AromaticContact CD2-ND1 3.64Å; W303-H323 AromaticContact CE2-ND1 3.91Å; W303-H323 HydrophobicContact CE3-CB 3.63Å; W303-H323 AromaticContact CE3-CG 3.77Å; W303-H323 AromaticContact CG-CE1 3.74Å; W303-H323 AromaticContact CG-ND1 3.69Å; W303-H323 HydrophobicContact CH2-CB 4.23Å; W303-H323 HydrophobicContact CZ3-CB 3.72Å | ||
| 304 | L | 75 | Confident | 79.3 | Confident | 152 Ų | 152 | 75.9 Ų | 75.9 | 80% | 0.796 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -36.6 | -165.7 | -171.6 | 63.1 | 0 | 0 | 0 | 114.2 | N302 | N302-L304 PolarHBondContact O-N 3.31Š|
| 305 | F | 78.1 | Confident | 79.9 | Confident | 185 Ų | 185 | 78.3 Ų | 78.3 | 81% | 0.811 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | 1.7 | -178.9 | -53.6 | -73.9 | 0 | 0 | 0 | 114.5 | W303 | W303-F305 PolarHBondContact O-N 3.09Š|
| 306 | C | 86.2 | Confident | 80.7 | Confident | 27 Ų | 27 | 77 Ų | 77 | 18% | 0.182 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -52.5 | -173.8 | -165 | 0 | 0 | 0 | 0 | 113.3 | C301 W303 K308 H319 H323 | C301-C306 HydrophobicContact CB-CB 4.29Å; W303-C306 HydrophobicContact CB-CB 3.89Å; W303-C306 PolarHBondContact O-N 3.47Å; C306-K308 PolarHBondContact O-N 3.06Å; C306-K308 VanDerWaalsContact SG-CG 3.55Å; C306-H319 PolarHBondContact SG-CE1 3.32Å; C306-H319 PolarHBondContact SG-NE2 2.92Å; C306-H323 PolarHBondContact SG-NE2 2.82Å |
| 307 | G | 76.4 | Confident | 81.3 | Confident | 57 Ų | 57 | 79.4 Ų | 79.4 | 59% | 0.588 | 40% | 0.404 | S | S | * | . | trans | 57.8 | 5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | S309 | G307-S309 PolarHBondContact O-N 3.35Š| ||
| 308 | K | 82.5 | Confident | 81.7 | Confident | 119 Ų | 119 | 77.3 Ų | 77.3 | 52% | 0.517 | 40% | 0.396 | S | S | . | . | trans | -71.1 | 126.6 | -175.3 | -71 | -179.5 | -172.3 | -179.9 | 0 | 110.7 | C301 C306 F310 | C301-K308 HydrophobicContact CB-CB 4.4Å; C301-K308 VanDerWaalsContact CB-O 3.23Å; C301-K308 WeakPolarHBondContact CB-O 3.31Å; C301-K308 PolarHBondContact N-O 2.9Å; C306-K308 PolarHBondContact O-N 3.06Å; C306-K308 VanDerWaalsContact SG-CG 3.55Å; K308-F310 HydrophobicContact CB-CE2 3.92Å; K308-F310 HydrophobicContact CB-CZ 3.91Å | ||
| 309 | S | 82.3 | Confident | 82.2 | Confident | 34 Ų | 34 | 74.8 Ų | 74.8 | 24% | 0.238 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 159.5 | 175.2 | 62.2 | 0 | 0 | 0 | 0 | 111.3 | R297 F299 G307 | R297-S309 VanDerWaalsContact CB-CB 3.47Å; R297-S309 WeakPolarHBondContact CB-OG 3.42Å; R297-S309 WeakPolarHBondContact CD-OG 3.42Å; R297-S309 VanDerWaalsContact NE-C 3.3Å; R297-S309 PolarHBondContact NE-O 3.23Å; R297-S309 PolarHBondContact NE-OG 2.92Å; R297-S309 VanDerWaalsContact NE-OG 3.11Å; R297-S309 PolarHBondContact NH2-O 3.17Å; F299-S309 CarbonylContact O-C 3.45Å; F299-S309 VanDerWaalsContact O-CA 3.29Å; F299-S309 WeakPolarHBondContact O-CA 3.43Å; G307-S309 PolarHBondContact O-N 3.35Å |
| 310 | F | 83.7 | Confident | 82.3 | Confident | 18 Ų | 18 | 74.6 Ų | 74.6 | 8% | 0.079 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 154.9 | -178.2 | -59.1 | -81.5 | 0 | 0 | 0 | 111.2 | R297 F299 K308 E315 L316 H319 | R297-F310 CarbonylContact C-O 3.41Å; R297-F310 VanDerWaalsContact CA-O 3.26Å; R297-F310 WeakPolarHBondContact CA-O 3.34Å; F299-F310 HydrophobicContact CB-CB 4.24Å; F299-F310 WeakPolarHBondContact CB-O 3.37Å; F299-F310 PolarHBondContact N-O 3.34Å; F299-F310 VanDerWaalsContact N-O 3.07Å; F299-F310 PolarHBondContact O-N 2.91Å; K308-F310 HydrophobicContact CB-CE2 3.92Å; K308-F310 HydrophobicContact CB-CZ 3.91Å; F310-E315 HydrophobicContact CB-CB 4.12Å; F310-E315 HydrophobicContact CB-CG 4.23Å; F310-E315 HydrophobicContact CD1-CB 4.17Å; F310-E315 HydrophobicContact CD1-CG 3.42Å; F310-E315 VanDerWaalsContact CD1-CG 3.42Å; F310-E315 HydrophobicContact CE1-CG 4.08Å; F310-E315 HydrophobicContact CG-CB 4.3Å; F310-E315 HydrophobicContact CG-CG 4.05Å; F310-L316 HydrophobicContact CB-CB 4.43Å; F310-L316 HydrophobicContact CD2-CB 3.87Å; F310-L316 HydrophobicContact CD2-CD1 3.82Å; F310-L316 HydrophobicContact CD2-CG 4.46Å; F310-L316 HydrophobicContact CE2-CD1 4.01Å; F310-L316 HydrophobicContact CG-CB 4.4Å; F310-H319 HydrophobicContact CE1-CB 4.12Å; F310-H319 HydrophobicContact CE2-CB 3.7Å; F310-H319 AromaticContact CE2-CD2 3.24Å; F310-H319 WeakPolarHBondContact CE2-CD2 3.46Å; F310-H319 AromaticContact CE2-CG 3.52Å; F310-H319 HydrophobicContact CZ-CB 3.39Å; F310-H319 AromaticContact CZ-CD2 3.44Å; F310-H319 VanDerWaalsContact CZ-CD2 3.44Å; F310-H319 WeakPolarHBondContact CZ-CD2 3.45Å; F310-H319 AromaticContact CZ-CG 3.24Å; F310-H319 AromaticContact CZ-ND1 3.9Å |
| 311 | T | 78.1 | Confident | 82.4 | Confident | 24 Ų | 24 | 74.4 Ų | 74.4 | 15% | 0.147 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -82.3 | -20.4 | -179.4 | 62.9 | 0 | 0 | 0 | 0 | 112.4 | R291 R297 F299 | R291-T311 HydrophobicContact CB-CG2 4.21Å; R291-T311 VanDerWaalsContact CD-O 3.26Å; R291-T311 WeakPolarHBondContact CD-O 3.49Å; R291-T311 PolarHBondContact NH1-O 2.76Å; R297-T311 HydrophobicContact CG-CG2 4.04Å; F299-T311 WeakPolarHBondContact CE2-O 3.47Å |
| 312 | R | 79.9 | Confident | 82.2 | Confident | 118 Ų | 118 | 77.8 Ų | 77.8 | 45% | 0.445 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -132.7 | 148.2 | -176.3 | -64.8 | 171.4 | 52.2 | 168.2 | -3.8 | 112.1 | A288 D314 E315 L316 | A288-R312 HydrophobicContact CB-CG 4.13Å; R312-D314 VanDerWaalsContact CB-OD1 3.31Å; R312-D314 WeakPolarHBondContact CB-OD1 3.39Å; R312-D314 IonicContact CZ-OD1 3.39Å; R312-D314 VanDerWaalsContact CZ-OD1 3.23Å; R312-D314 IonicContact CZ-OD2 2.7Å; R312-D314 IonicContact NE-OD1 3.6Å; R312-D314 PolarHBondContact NE-OD1 3.34Å; R312-D314 IonicContact NE-OD2 3.38Å; R312-D314 IonicContact NH2-OD1 3.56Å; R312-D314 PolarHBondContact NH2-OD1 2.84Å; R312-D314 IonicContact NH2-OD2 2.85Å; R312-D314 PolarHBondContact NH2-OD2 3.22Å; R312-E315 HydrophobicContact CB-CB 4.26Å; R312-E315 WeakPolarHBondContact O-CB 3.31Å; R312-E315 PolarHBondContact O-N 2.95Å; R312-L316 PolarHBondContact O-N 2.57Å |
| 313 | S | 82 | Confident | 82.2 | Confident | 64 Ų | 64 | 72.6 Ų | 72.6 | 45% | 0.448 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.4 | -38.4 | 179.3 | 54.1 | 0 | 0 | 0 | 0 | 112.8 | E315 L316 Q317 | S313-E315 PolarHBondContact O-N 3.15Å; S313-L316 PolarHBondContact O-N 3.03Å; S313-Q317 WeakPolarHBondContact O-CG 3.42Å; S313-Q317 PolarHBondContact O-N 3.28Å |
| 314 | D | 82.8 | Confident | 82.1 | Confident | 59 Ų | 59 | 70.2 Ų | 70.2 | 32% | 0.316 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.2 | -27 | 177.5 | 65.6 | -79.2 | 0 | 0 | 0 | 112.6 | R312 R318 | R312-D314 VanDerWaalsContact CB-OD1 3.31Å; R312-D314 WeakPolarHBondContact CB-OD1 3.39Å; R312-D314 IonicContact CZ-OD1 3.39Å; R312-D314 VanDerWaalsContact CZ-OD1 3.23Å; R312-D314 IonicContact CZ-OD2 2.7Å; R312-D314 IonicContact NE-OD1 3.6Å; R312-D314 PolarHBondContact NE-OD1 3.34Å; R312-D314 IonicContact NE-OD2 3.38Å; R312-D314 IonicContact NH2-OD1 3.56Å; R312-D314 PolarHBondContact NH2-OD1 2.84Å; R312-D314 IonicContact NH2-OD2 2.85Å; R312-D314 PolarHBondContact NH2-OD2 3.22Å; D314-R318 WeakPolarHBondContact O-CB 3.39Å; D314-R318 PolarHBondContact O-N 3.48Å; D314-R318 VanDerWaalsContact O-N 3.09Å; D314-R318 IonicContact OD2-NH2 3.14Å; D314-R318 PolarHBondContact OD2-NH2 2.87Å |
| 315 | E | 84.5 | Confident | 82.3 | Confident | 57 Ų | 57 | 65.2 Ų | 65.2 | 27% | 0.266 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -73.7 | -45.2 | 175.5 | -164.7 | -179.2 | -174.3 | 0 | 0 | 111.3 | F310 R312 S313 R318 H319 | F310-E315 HydrophobicContact CB-CB 4.12Å; F310-E315 HydrophobicContact CB-CG 4.23Å; F310-E315 HydrophobicContact CD1-CB 4.17Å; F310-E315 HydrophobicContact CD1-CG 3.42Å; F310-E315 VanDerWaalsContact CD1-CG 3.42Å; F310-E315 HydrophobicContact CE1-CG 4.08Å; F310-E315 HydrophobicContact CG-CB 4.3Å; F310-E315 HydrophobicContact CG-CG 4.05Å; R312-E315 HydrophobicContact CB-CB 4.26Å; R312-E315 WeakPolarHBondContact O-CB 3.31Å; R312-E315 PolarHBondContact O-N 2.95Å; S313-E315 PolarHBondContact O-N 3.15Å; E315-R318 PolarHBondContact O-N 3.39Å; E315-H319 WeakPolarHBondContact O-CB 3.48Å; E315-H319 PolarHBondContact O-N 3.31Å |
| 316 | L | 86.5 | Confident | 82.2 | Confident | 22 Ų | 22 | 59.7 Ų | 59.7 | 12% | 0.115 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.1 | -47.8 | 171.9 | 173.5 | 62.4 | 0 | 0 | 0 | 111.3 | F299 C301 F310 R312 S313 R318 H319 L320 | F299-L316 HydrophobicContact CB-CB 3.93Å; F299-L316 HydrophobicContact CB-CD2 3.84Å; F299-L316 HydrophobicContact CB-CG 4.47Å; C301-L316 HydrophobicContact CB-CD1 4.03Å; F310-L316 HydrophobicContact CB-CB 4.43Å; F310-L316 HydrophobicContact CD2-CB 3.87Å; F310-L316 HydrophobicContact CD2-CD1 3.82Å; F310-L316 HydrophobicContact CD2-CG 4.46Å; F310-L316 HydrophobicContact CE2-CD1 4.01Å; F310-L316 HydrophobicContact CG-CB 4.4Å; R312-L316 PolarHBondContact O-N 2.57Å; S313-L316 PolarHBondContact O-N 3.03Å; L316-R318 VanDerWaalsContact C-N 3.3Å; L316-R318 PolarHBondContact O-N 3.44Å; L316-H319 CarbonylContact O-C 3.32Å; L316-H319 WeakPolarHBondContact O-CA 3.43Å; L316-H319 WeakPolarHBondContact O-CB 3.5Å; L316-H319 PolarHBondContact O-N 3.09Å; L316-L320 HydrophobicContact CD1-CD1 4.49Å; L316-L320 HydrophobicContact CD1-CD2 4.45Å; L316-L320 HydrophobicContact CD1-CG 4.19Å; L316-L320 HydrophobicContact CG-CD1 4.31Å; L316-L320 HydrophobicContact CG-CG 4.44Å; L316-L320 WeakPolarHBondContact O-CG 3.48Å; L316-L320 PolarHBondContact O-N 3.38Å |
| 317 | Q | 84.3 | Confident | 81.9 | Confident | 109 Ų | 109 | 63.9 Ų | 63.9 | 51% | 0.509 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.4 | -39.4 | 179.2 | -74.1 | -63.1 | -37.4 | 0 | 0 | 112.5 | S313 H319 L320 | S313-Q317 WeakPolarHBondContact O-CG 3.42Å; S313-Q317 PolarHBondContact O-N 3.28Å; Q317-H319 VanDerWaalsContact C-N 3.35Å; Q317-L320 PolarHBondContact O-N 3.14Å |
| 318 | R | 84.1 | Confident | 82.2 | Confident | 72 Ų | 72 | 68.8 Ų | 68.8 | 27% | 0.272 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.7 | -39.4 | 173.8 | -167.8 | -171.1 | -36.9 | 109.7 | 8.9 | 111.8 | D314 E315 L316 R321 R340 | D314-R318 WeakPolarHBondContact O-CB 3.39Å; D314-R318 PolarHBondContact O-N 3.48Å; D314-R318 VanDerWaalsContact O-N 3.09Å; D314-R318 IonicContact OD2-NH2 3.14Å; D314-R318 PolarHBondContact OD2-NH2 2.87Å; E315-R318 PolarHBondContact O-N 3.39Å; L316-R318 VanDerWaalsContact C-N 3.3Å; L316-R318 PolarHBondContact O-N 3.44Å; R318-R321 WeakPolarHBondContact O-CB 3.41Å; R318-R321 PolarHBondContact O-N 3.24Å; R318-R340 HydrophobicContact CG-CG 4.17Å |
| 319 | H | 86.6 | Confident | 82.2 | Confident | 19 Ų | 19 | 66 Ų | 66 | 9% | 0.088 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.5 | -38.7 | 176.6 | 168.2 | 59.8 | 0 | 0 | 0 | 112 | C301 C306 F310 E315 L316 Q317 R321 T322 H323 | C301-H319 PolarHBondContact SG-NE2 2.86Å; C306-H319 PolarHBondContact SG-CE1 3.32Å; C306-H319 PolarHBondContact SG-NE2 2.92Å; F310-H319 HydrophobicContact CE1-CB 4.12Å; F310-H319 HydrophobicContact CE2-CB 3.7Å; F310-H319 AromaticContact CE2-CD2 3.24Å; F310-H319 WeakPolarHBondContact CE2-CD2 3.46Å; F310-H319 AromaticContact CE2-CG 3.52Å; F310-H319 HydrophobicContact CZ-CB 3.39Å; F310-H319 AromaticContact CZ-CD2 3.44Å; F310-H319 VanDerWaalsContact CZ-CD2 3.44Å; F310-H319 WeakPolarHBondContact CZ-CD2 3.45Å; F310-H319 AromaticContact CZ-CG 3.24Å; F310-H319 AromaticContact CZ-ND1 3.9Å; E315-H319 WeakPolarHBondContact O-CB 3.48Å; E315-H319 PolarHBondContact O-N 3.31Å; L316-H319 CarbonylContact O-C 3.32Å; L316-H319 WeakPolarHBondContact O-CA 3.43Å; L316-H319 WeakPolarHBondContact O-CB 3.5Å; L316-H319 PolarHBondContact O-N 3.09Å; Q317-H319 VanDerWaalsContact C-N 3.35Å; H319-R321 PolarHBondContact O-N 3.48Å; H319-R321 VanDerWaalsContact O-N 3.15Å; H319-T322 PolarHBondContact ND1-OG1 2.81Å; H319-T322 WeakPolarHBondContact O-CA 3.42Å; H319-T322 VanDerWaalsContact O-CB 3.31Å; H319-T322 WeakPolarHBondContact O-CB 3.26Å; H319-T322 PolarHBondContact O-N 2.72Å; H319-T322 PolarHBondContact O-OG1 3.34Å; H319-H323 AromaticContact CE1-NE2 3.44Å; H319-H323 PolarHBondContact CE1-NE2 3.36Å; H319-H323 AromaticContact NE2-CD2 3.86Å; H319-H323 AromaticContact NE2-NE2 3.28Å; H319-H323 PolarHBondContact NE2-NE2 3.2Å |
| 320 | L | 84.4 | Confident | 82.4 | Confident | 54 Ų | 54 | 67.1 Ų | 67.1 | 28% | 0.283 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.8 | -30.7 | 175.8 | -70.5 | 173.3 | 0 | 0 | 0 | 112.6 | L316 Q317 T322 H323 T324 | L316-L320 HydrophobicContact CD1-CD1 4.49Å; L316-L320 HydrophobicContact CD1-CD2 4.45Å; L316-L320 HydrophobicContact CD1-CG 4.19Å; L316-L320 HydrophobicContact CG-CD1 4.31Å; L316-L320 HydrophobicContact CG-CG 4.44Å; L316-L320 WeakPolarHBondContact O-CG 3.48Å; L316-L320 PolarHBondContact O-N 3.38Å; Q317-L320 PolarHBondContact O-N 3.14Å; L320-T322 PolarHBondContact O-N 2.95Å; L320-H323 WeakPolarHBondContact O-CB 3.18Å; L320-H323 PolarHBondContact O-N 3.07Å; L320-T324 PolarHBondContact O-N 3.43Å |
| 321 | R | 83.8 | Confident | 82.6 | Confident | 79 Ų | 79 | 66.3 Ų | 66.3 | 30% | 0.298 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.9 | -20.1 | 173.3 | -58.9 | 175.5 | -165.8 | 174.3 | 0.7 | 113.7 | R318 H319 H323 T324 G325 M339 | R318-R321 WeakPolarHBondContact O-CB 3.41Å; R318-R321 PolarHBondContact O-N 3.24Å; H319-R321 PolarHBondContact O-N 3.48Å; H319-R321 VanDerWaalsContact O-N 3.15Å; R321-H323 VanDerWaalsContact C-N 3.31Å; R321-T324 WeakPolarHBondContact CA-OG1 3.35Å; R321-T324 PolarHBondContact O-OG1 3.39Å; R321-G325 WeakPolarHBondContact O-CA 3.34Å; R321-G325 PolarHBondContact O-N 3.36Å; R321-M339 VanDerWaalsContact C-SD 3.54Å; R321-M339 HydrophobicContact CB-CG 3.78Å; R321-M339 HydrophobicContact CB-SD 3.78Å |
| 322 | T | 82.5 | Confident | 82.8 | Confident | 74 Ų | 74 | 69.5 Ų | 69.5 | 45% | 0.454 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -73.2 | -26 | 172.9 | 65.2 | 0 | 0 | 0 | 0 | 112.4 | H319 L320 M339 | H319-T322 PolarHBondContact ND1-OG1 2.81Å; H319-T322 WeakPolarHBondContact O-CA 3.42Å; H319-T322 VanDerWaalsContact O-CB 3.31Å; H319-T322 WeakPolarHBondContact O-CB 3.26Å; H319-T322 PolarHBondContact O-N 2.72Å; H319-T322 PolarHBondContact O-OG1 3.34Å; L320-T322 PolarHBondContact O-N 2.95Å; T322-M339 HydrophobicContact CG2-CE 3.56Å; T322-M339 HydrophobicContact CG2-SD 3.62Å |
| 323 | H | 80.8 | Confident | 83 | Confident | 53 Ų | 53 | 66.5 Ų | 66.5 | 25% | 0.245 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -78.8 | -40.5 | 174.3 | -70.6 | -66.5 | 0 | 0 | 0 | 111.8 | C301 W303 C306 H319 L320 R321 G325 | C301-H323 PolarHBondContact SG-NE2 3.3Å; C301-H323 VanDerWaalsContact SG-NE2 3.4Å; W303-H323 AromaticContact CD1-CE1 3.93Å; W303-H323 AromaticContact CD1-ND1 3.95Å; W303-H323 HydrophobicContact CD2-CB 4.08Å; W303-H323 AromaticContact CD2-CG 3.79Å; W303-H323 AromaticContact CD2-ND1 3.64Å; W303-H323 AromaticContact CE2-ND1 3.91Å; W303-H323 HydrophobicContact CE3-CB 3.63Å; W303-H323 AromaticContact CE3-CG 3.77Å; W303-H323 AromaticContact CG-CE1 3.74Å; W303-H323 AromaticContact CG-ND1 3.69Å; W303-H323 HydrophobicContact CH2-CB 4.23Å; W303-H323 HydrophobicContact CZ3-CB 3.72Å; C306-H323 PolarHBondContact SG-NE2 2.82Å; H319-H323 AromaticContact CE1-NE2 3.44Å; H319-H323 PolarHBondContact CE1-NE2 3.36Å; H319-H323 AromaticContact NE2-CD2 3.86Å; H319-H323 AromaticContact NE2-NE2 3.28Å; H319-H323 PolarHBondContact NE2-NE2 3.2Å; L320-H323 WeakPolarHBondContact O-CB 3.18Å; L320-H323 PolarHBondContact O-N 3.07Å; R321-H323 VanDerWaalsContact C-N 3.31Å; H323-G325 VanDerWaalsContact C-N 3.34Å |
| 324 | T | 79.7 | Confident | 83.1 | Confident | 78 Ų | 78 | 65 Ų | 65 | 48% | 0.479 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -81.4 | -14.1 | 179.1 | 61.2 | 0 | 0 | 0 | 0 | 113.4 | L320 R321 E326 | L320-T324 PolarHBondContact O-N 3.43Å; R321-T324 WeakPolarHBondContact CA-OG1 3.35Å; R321-T324 PolarHBondContact O-OG1 3.39Å; T324-E326 PolarHBondContact O-N 2.69Å; T324-E326 VanDerWaalsContact O-N 3.13Å |
| 325 | G | 78.2 | Confident | 83.2 | Confident | 47 Ų | 47 | 63.9 Ų | 63.9 | 49% | 0.485 | 33% | 0.328 | S | S | . | . | trans | 67.6 | 8.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R321 H323 K327 | R321-G325 WeakPolarHBondContact O-CA 3.34Å; R321-G325 PolarHBondContact O-N 3.36Å; H323-G325 VanDerWaalsContact C-N 3.34Å; G325-K327 PolarHBondContact O-N 3.33Å | ||
| 326 | E | 77.6 | Confident | 83.1 | Confident | 70 Ų | 70 | 67.1 Ų | 67.1 | 33% | 0.327 | 34% | 0.341 | S | S | . | . | trans | -64.8 | 116.8 | -173.5 | -75.4 | -176.7 | 173.4 | 0 | 0 | 112.6 | T324 R328 | T324-E326 PolarHBondContact O-N 2.69Å; T324-E326 VanDerWaalsContact O-N 3.13Å; E326-R328 HydrophobicContact CB-CG 4.48Å; E326-R328 IonicContact OE1-NH2 3.16Å; E326-R328 IonicContact OE2-CZ 2.83Å; E326-R328 IonicContact OE2-NE 2.66Å; E326-R328 PolarHBondContact OE2-NE 3.19Å; E326-R328 IonicContact OE2-NH2 3.51Å; E326-R328 PolarHBondContact OE2-NH2 3.28Å | ||
| 327 | K | 79.5 | Confident | 83.1 | Confident | 114 Ų | 114 | 70 Ų | 70 | 50% | 0.496 | 35% | 0.351 | S | S | . | . | trans | -106.3 | 85.4 | 176.1 | -63.6 | 173.5 | -175.6 | 172.6 | 0 | 110.9 | G325 R337 F338 | G325-K327 PolarHBondContact O-N 3.33Å; K327-R337 HydrophobicContact CB-CB 3.52Å; K327-R337 HydrophobicContact CD-CB 4.08Å; K327-R337 HydrophobicContact CG-CB 4.42Å; K327-R337 PolarHBondContact O-NE 3.27Å; K327-R337 PolarHBondContact O-NH2 3.37Å; K327-F338 CarbonylContact C-O 3.31Å; K327-F338 WeakPolarHBondContact CA-O 3.24Å | ||
| 328 | R | 81.5 | Confident | 83.1 | Confident | 160 Ų | 160 | 66.7 Ų | 66.7 | 60% | 0.604 | 34% | 0.335 | S | S | * | . | trans | -77.9 | -18.3 | -173.8 | -60.7 | -177.1 | -179.3 | -139.2 | 1.3 | 114.7 | E326 F338 | E326-R328 HydrophobicContact CB-CG 4.48Å; E326-R328 IonicContact OE1-NH2 3.16Å; E326-R328 IonicContact OE2-CZ 2.83Å; E326-R328 IonicContact OE2-NE 2.66Å; E326-R328 PolarHBondContact OE2-NE 3.19Å; E326-R328 IonicContact OE2-NH2 3.51Å; E326-R328 PolarHBondContact OE2-NH2 3.28Å; R328-F338 PolarHBondContact N-O 3.36Å | ||
| 329 | F | 83.9 | Confident | 83.1 | Confident | 60 Ų | 60 | 65.5 Ų | 65.5 | 26% | 0.263 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 117.8 | -172.5 | -60.1 | -78 | 0 | 0 | 0 | 110.8 | R337 F338 M339 R340 L344 | F329-R337 CarbonylContact O-C 3.54Å; F329-R337 VanDerWaalsContact O-CA 3.29Å; F329-R337 WeakPolarHBondContact O-CA 3.44Å; F329-F338 HydrophobicContact CB-CB 4.2Å; F329-F338 WeakPolarHBondContact CB-O 3.46Å; F329-F338 WeakPolarHBondContact CD2-O 3.26Å; F329-F338 PolarHBondContact N-O 3.08Å; F329-F338 PolarHBondContact O-N 3.27Å; F329-M339 WeakPolarHBondContact CE2-O 3.48Å; F329-R340 VanDerWaalsContact CD2-C 3.41Å; F329-L344 HydrophobicContact CB-CB 4.19Å; F329-L344 HydrophobicContact CB-CD2 3.92Å |
| 330 | V | 86.6 | Confident | 83 | Confident | 59 Ų | 59 | 68 Ų | 68 | 36% | 0.358 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 136 | -177.9 | -172.5 | 0 | 0 | 0 | 0 | 109.8 | C335 R337 | V330-C335 HydrophobicContact CG1-CB 4.27Å; V330-R337 HydrophobicContact CG2-CG 4.21Å |
| 331 | C | 87 | Confident | 83.1 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 35% | 0.351 | C | S | . | . | trans | -74.4 | 125.5 | 171.4 | 178 | 0 | 0 | 0 | 0 | 110.7 | D333 C335 K336 F338 L344 H347 H351 | C331-D333 VanDerWaalsContact C-N 3.27Å; C331-D333 PolarHBondContact O-N 3.32Å; C331-C335 WeakPolarHBondContact O-CA 3.29Å; C331-C335 PolarHBondContact O-N 3.45Å; C331-K336 HydrophobicContact CB-CB 4.47Å; C331-K336 PolarHBondContact N-O 3.28Å; C331-F338 HydrophobicContact CB-CE2 4.16Å; C331-L344 HydrophobicContact CB-CD1 3.77Å; C331-H347 VanDerWaalsContact SG-CD2 3.59Å; C331-H347 PolarHBondContact SG-NE2 3.44Å; C331-H351 VanDerWaalsContact SG-CD2 3.51Å; C331-H351 PolarHBondContact SG-NE2 3.34Å | ||
| 332 | P | 82.4 | Confident | 83.3 | Confident | 91 Ų | 91 | 67.6 Ų | 67.6 | 59% | 0.591 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -30.5 | -179.5 | 26.5 | -34.2 | 0 | 0 | 0 | 112.8 | ||
| 333 | D | 83.7 | Confident | 83.6 | Confident | 56 Ų | 56 | 67.5 Ų | 67.5 | 30% | 0.299 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -47.5 | -176 | -52.3 | -56.9 | 0 | 0 | 0 | 111.6 | C331 H351 S356 K357 C358 | C331-D333 VanDerWaalsContact C-N 3.27Å; C331-D333 PolarHBondContact O-N 3.32Å; D333-H351 HydrophobicContact CB-CB 4.4Å; D333-H351 IonicContact OD2-CD2 2.82Å; D333-H351 PolarHBondContact OD2-CD2 3.4Å; D333-H351 VanDerWaalsContact OD2-CD2 3.31Å; D333-H351 IonicContact OD2-CG 2.85Å; D333-S356 CarbonylContact C-O 3.35Å; D333-S356 CarbonylContact O-C 3.59Å; D333-K357 CarbonylContact O-C 3.34Å; D333-K357 VanDerWaalsContact O-C 3.31Å; D333-C358 PolarHBondContact O-N 2.86Å |
| 334 | C | 85 | Confident | 84 | Confident | 32 Ų | 32 | 66.4 Ų | 66.4 | 22% | 0.216 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | 6.4 | -172.3 | 72.7 | 0 | 0 | 0 | 0 | 115.3 | K336 H347 H351 | C334-K336 PolarHBondContact O-N 2.98Å; C334-K336 VanDerWaalsContact SG-CG 3.55Å; C334-H347 PolarHBondContact SG-NE2 3.45Å; C334-H351 PolarHBondContact SG-CE1 2.97Å; C334-H351 PolarHBondContact SG-NE2 3.46Å; C334-H351 VanDerWaalsContact SG-NE2 3.39Å |
| 335 | C | 84.4 | Confident | 84.5 | Confident | 36 Ų | 36 | 65.1 Ų | 65.1 | 24% | 0.243 | 34% | 0.338 | C | S | . | . | trans | 55 | 14.2 | -179.5 | -81.4 | 0 | 0 | 0 | 0 | 116.8 | V330 C331 R337 C358 | V330-C335 HydrophobicContact CG1-CB 4.27Å; C331-C335 WeakPolarHBondContact O-CA 3.29Å; C331-C335 PolarHBondContact O-N 3.45Å; C335-R337 PolarHBondContact O-N 3.02Å; C335-C358 HydrophobicContact CB-CB 3.94Å; C335-C358 WeakPolarHBondContact CB-SG 3.38Å; C335-C358 WeakPolarHBondContact SG-CB 3.25Å; C335-C358 CovalentContact SG-SG 2Å; C335-C358 PolarHBondContact SG-SG 3.07Å | ||
| 336 | K | 83.3 | Confident | 84.9 | Confident | 125 Ų | 125 | 69.6 Ų | 69.6 | 54% | 0.543 | 34% | 0.344 | S | S | . | . | trans | -62.2 | 131.3 | 170.1 | -73.7 | -178.9 | -177.7 | -175.5 | 0 | 110.4 | C331 C334 F338 | C331-K336 HydrophobicContact CB-CB 4.47Å; C331-K336 PolarHBondContact N-O 3.28Å; C334-K336 PolarHBondContact O-N 2.98Å; C334-K336 VanDerWaalsContact SG-CG 3.55Å; K336-F338 HydrophobicContact CB-CE2 3.73Å; K336-F338 HydrophobicContact CB-CZ 3.96Å; K336-F338 WeakPolarHBondContact O-CD2 3.12Å; K336-F338 VanDerWaalsContact O-CE2 3.29Å; K336-F338 WeakPolarHBondContact O-CE2 3.48Å | ||
| 337 | R | 85.1 | Confident | 85.5 | Confident | 82 Ų | 82 | 67.5 Ų | 67.5 | 31% | 0.309 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 138.2 | 178.6 | -49 | -174.9 | 72.6 | 173.2 | 8.2 | 111.1 | K327 F329 V330 C335 D370 | K327-R337 HydrophobicContact CB-CB 3.52Å; K327-R337 HydrophobicContact CD-CB 4.08Å; K327-R337 HydrophobicContact CG-CB 4.42Å; K327-R337 PolarHBondContact O-NE 3.27Å; K327-R337 PolarHBondContact O-NH2 3.37Å; F329-R337 CarbonylContact O-C 3.54Å; F329-R337 VanDerWaalsContact O-CA 3.29Å; F329-R337 WeakPolarHBondContact O-CA 3.44Å; V330-R337 HydrophobicContact CG2-CG 4.21Å; C335-R337 PolarHBondContact O-N 3.02Å; R337-D370 IonicContact CZ-OD2 3.31Å; R337-D370 IonicContact NH1-OD1 3.76Å; R337-D370 IonicContact NH1-OD2 3.78Å; R337-D370 PolarHBondContact NH1-OD2 2.81Å; R337-D370 IonicContact NH2-OD2 3.75Å |
| 338 | F | 84.5 | Confident | 85.8 | Confident | 40 Ų | 40 | 64.6 Ų | 64.6 | 18% | 0.175 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 145 | 179.7 | -60.5 | -90 | 0 | 0 | 0 | 109.6 | K327 R328 F329 C331 K336 R340 H343 L344 H347 | K327-F338 CarbonylContact C-O 3.31Å; K327-F338 WeakPolarHBondContact CA-O 3.24Å; R328-F338 PolarHBondContact N-O 3.36Å; F329-F338 HydrophobicContact CB-CB 4.2Å; F329-F338 WeakPolarHBondContact CB-O 3.46Å; F329-F338 WeakPolarHBondContact CD2-O 3.26Å; F329-F338 PolarHBondContact N-O 3.08Å; F329-F338 PolarHBondContact O-N 3.27Å; C331-F338 HydrophobicContact CB-CE2 4.16Å; K336-F338 HydrophobicContact CB-CE2 3.73Å; K336-F338 HydrophobicContact CB-CZ 3.96Å; K336-F338 WeakPolarHBondContact O-CD2 3.12Å; K336-F338 VanDerWaalsContact O-CE2 3.29Å; K336-F338 WeakPolarHBondContact O-CE2 3.48Å; F338-R340 VanDerWaalsContact C-N 3.28Å; F338-H343 HydrophobicContact CD1-CB 4.01Å; F338-L344 HydrophobicContact CB-CB 4.32Å; F338-L344 HydrophobicContact CD2-CB 4.05Å; F338-L344 HydrophobicContact CD2-CD1 3.84Å; F338-L344 HydrophobicContact CE2-CD1 4.05Å; F338-L344 HydrophobicContact CG-CB 4.26Å; F338-H347 HydrophobicContact CE1-CB 3.91Å; F338-H347 HydrophobicContact CE2-CB 4.07Å; F338-H347 AromaticContact CE2-CD2 3.29Å; F338-H347 WeakPolarHBondContact CE2-CD2 3.2Å; F338-H347 AromaticContact CE2-CG 3.71Å; F338-H347 AromaticContact CE2-NE2 3.92Å; F338-H347 HydrophobicContact CZ-CB 3.51Å; F338-H347 AromaticContact CZ-CD2 3.25Å; F338-H347 WeakPolarHBondContact CZ-CD2 3.09Å; F338-H347 AromaticContact CZ-CG 3.18Å; F338-H347 AromaticContact CZ-ND1 3.74Å; F338-H347 AromaticContact CZ-NE2 3.8Å |
| 339 | M | 84.1 | Confident | 86.1 | Confident | 47 Ų | 47 | 63.5 Ų | 63.5 | 23% | 0.232 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -77 | -18.2 | 173.9 | -175.7 | -177.2 | 56.9 | 0 | 0 | 112.2 | R321 T322 F329 | R321-M339 VanDerWaalsContact C-SD 3.54Å; R321-M339 HydrophobicContact CB-CG 3.78Å; R321-M339 HydrophobicContact CB-SD 3.78Å; T322-M339 HydrophobicContact CG2-CE 3.56Å; T322-M339 HydrophobicContact CG2-SD 3.62Å; F329-M339 WeakPolarHBondContact CE2-O 3.48Å |
| 340 | R | 84.1 | Confident | 86.2 | Confident | 71 Ų | 71 | 65 Ų | 65 | 27% | 0.268 | 34% | 0.34 | S | S | . | . | trans | -133.1 | 141.6 | -174.7 | -65.8 | 171.5 | 50.3 | 173.2 | 5.2 | 112.6 | R318 F329 F338 D342 H343 L344 | R318-R340 HydrophobicContact CG-CG 4.17Å; F329-R340 VanDerWaalsContact CD2-C 3.41Å; F338-R340 VanDerWaalsContact C-N 3.28Å; R340-D342 VanDerWaalsContact CB-OD1 3.28Å; R340-D342 WeakPolarHBondContact CB-OD1 3.49Å; R340-D342 IonicContact CZ-OD1 2.78Å; R340-D342 IonicContact CZ-OD2 3.02Å; R340-D342 IonicContact NE-OD1 3.07Å; R340-D342 PolarHBondContact NE-OD1 2.97Å; R340-D342 IonicContact NE-OD2 3.58Å; R340-D342 VanDerWaalsContact NH2-CG 3.25Å; R340-D342 IonicContact NH2-OD1 3.69Å; R340-D342 PolarHBondContact NH2-OD1 3.32Å; R340-D342 VanDerWaalsContact NH2-OD1 3.14Å; R340-D342 IonicContact NH2-OD2 3.23Å; R340-D342 PolarHBondContact NH2-OD2 2.88Å; R340-H343 HydrophobicContact CB-CB 4.26Å; R340-H343 VanDerWaalsContact CD-NE2 3.32Å; R340-H343 WeakPolarHBondContact CD-NE2 3.45Å; R340-H343 VanDerWaalsContact CZ-CE1 3.47Å; R340-H343 PolarHBondContact NE-NE2 2.63Å; R340-H343 PolarHBondContact NH1-CE1 3.28Å; R340-H343 PolarHBondContact NH1-NE2 3.11Å; R340-H343 PolarHBondContact O-N 3.47Å; R340-L344 PolarHBondContact O-N 2.78Å; R340-L344 VanDerWaalsContact O-N 3.14Å | ||
| 341 | S | 87 | Confident | 85.9 | Confident | 68 Ų | 68 | 63.6 Ų | 63.6 | 48% | 0.476 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.9 | -35.6 | 178.6 | 55 | 0 | 0 | 0 | 0 | 113 | H343 L344 A345 | S341-H343 VanDerWaalsContact C-N 3.32Å; S341-H343 PolarHBondContact O-N 3.35Å; S341-L344 WeakPolarHBondContact O-CB 3.29Å; S341-L344 PolarHBondContact O-N 2.95Å; S341-A345 WeakPolarHBondContact O-CB 3.29Å; S341-A345 PolarHBondContact O-N 3.09Å |
| 342 | D | 88.2 | Confident | 85 | Confident | 56 Ų | 56 | 71 Ų | 71 | 30% | 0.299 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.8 | -31.9 | 178.2 | 66.8 | -67.3 | 0 | 0 | 0 | 112.1 | R340 A345 K346 | R340-D342 VanDerWaalsContact CB-OD1 3.28Å; R340-D342 WeakPolarHBondContact CB-OD1 3.49Å; R340-D342 IonicContact CZ-OD1 2.78Å; R340-D342 IonicContact CZ-OD2 3.02Å; R340-D342 IonicContact NE-OD1 3.07Å; R340-D342 PolarHBondContact NE-OD1 2.97Å; R340-D342 IonicContact NE-OD2 3.58Å; R340-D342 VanDerWaalsContact NH2-CG 3.25Å; R340-D342 IonicContact NH2-OD1 3.69Å; R340-D342 PolarHBondContact NH2-OD1 3.32Å; R340-D342 VanDerWaalsContact NH2-OD1 3.14Å; R340-D342 IonicContact NH2-OD2 3.23Å; R340-D342 PolarHBondContact NH2-OD2 2.88Å; D342-A345 PolarHBondContact O-N 3.24Å; D342-K346 WeakPolarHBondContact O-CG 3.42Å; D342-K346 PolarHBondContact O-N 2.82Å |
| 343 | H | 88.8 | Confident | 84 | Confident | 73 Ų | 73 | 74.2 Ų | 74.2 | 34% | 0.338 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.7 | -42.9 | 171.5 | -65.7 | -20.3 | 0 | 0 | 0 | 111.5 | F338 R340 S341 A345 K346 H347 | F338-H343 HydrophobicContact CD1-CB 4.01Å; R340-H343 HydrophobicContact CB-CB 4.26Å; R340-H343 VanDerWaalsContact CD-NE2 3.32Å; R340-H343 WeakPolarHBondContact CD-NE2 3.45Å; R340-H343 VanDerWaalsContact CZ-CE1 3.47Å; R340-H343 PolarHBondContact NE-NE2 2.63Å; R340-H343 PolarHBondContact NH1-CE1 3.28Å; R340-H343 PolarHBondContact NH1-NE2 3.11Å; R340-H343 PolarHBondContact O-N 3.47Å; S341-H343 VanDerWaalsContact C-N 3.32Å; S341-H343 PolarHBondContact O-N 3.35Å; H343-A345 VanDerWaalsContact C-N 3.35Å; H343-A345 PolarHBondContact O-N 3.47Å; H343-K346 PolarHBondContact O-N 3.37Å; H343-H347 VanDerWaalsContact O-CB 3.26Å; H343-H347 WeakPolarHBondContact O-CB 3.29Å; H343-H347 PolarHBondContact O-N 3.14Å |
| 344 | L | 90.4 | Very high | 83 | Confident | 29 Ų | 29 | 79.4 Ų | 79.4 | 15% | 0.152 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -57.9 | -47.8 | 170.9 | 171.9 | 64.2 | 0 | 0 | 0 | 110.9 | F329 C331 F338 R340 S341 K346 H347 V348 | F329-L344 HydrophobicContact CB-CB 4.19Å; F329-L344 HydrophobicContact CB-CD2 3.92Å; C331-L344 HydrophobicContact CB-CD1 3.77Å; F338-L344 HydrophobicContact CB-CB 4.32Å; F338-L344 HydrophobicContact CD2-CB 4.05Å; F338-L344 HydrophobicContact CD2-CD1 3.84Å; F338-L344 HydrophobicContact CE2-CD1 4.05Å; F338-L344 HydrophobicContact CG-CB 4.26Å; R340-L344 PolarHBondContact O-N 2.78Å; R340-L344 VanDerWaalsContact O-N 3.14Å; S341-L344 WeakPolarHBondContact O-CB 3.29Å; S341-L344 PolarHBondContact O-N 2.95Å; L344-K346 VanDerWaalsContact C-N 3.33Å; L344-K346 PolarHBondContact O-N 3.25Å; L344-H347 CarbonylContact O-C 3.59Å; L344-H347 WeakPolarHBondContact O-CA 3.27Å; L344-H347 WeakPolarHBondContact O-CB 3.4Å; L344-H347 PolarHBondContact O-N 3.41Å; L344-V348 HydrophobicContact CD1-CG2 3.66Å; L344-V348 HydrophobicContact CG-CG2 4.13Å; L344-V348 WeakPolarHBondContact O-CG2 3.23Å; L344-V348 PolarHBondContact O-N 2.86Å |
| 345 | A | 88.9 | Confident | 81.5 | Confident | 52 Ų | 52 | 90.1 Ų | 90.1 | 43% | 0.43 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.5 | -39.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S341 D342 H343 K349 | S341-A345 WeakPolarHBondContact O-CB 3.29Å; S341-A345 PolarHBondContact O-N 3.09Å; D342-A345 PolarHBondContact O-N 3.24Å; H343-A345 VanDerWaalsContact C-N 3.35Å; H343-A345 PolarHBondContact O-N 3.47Å; A345-K349 WeakPolarHBondContact O-CG 3.23Å; A345-K349 PolarHBondContact O-N 3.33Å |
| 346 | K | 88 | Confident | 80.4 | Confident | 141 Ų | 141 | 91.3 Ų | 91.3 | 61% | 0.613 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -65.5 | -41.9 | 172.1 | -72.9 | 178.6 | -178.2 | -173.6 | 0 | 111.7 | D342 H343 L344 K349 | D342-K346 WeakPolarHBondContact O-CG 3.42Å; D342-K346 PolarHBondContact O-N 2.82Å; H343-K346 PolarHBondContact O-N 3.37Å; L344-K346 VanDerWaalsContact C-N 3.33Å; L344-K346 PolarHBondContact O-N 3.25Å; K346-K349 WeakPolarHBondContact O-CB 3.2Å; K346-K349 PolarHBondContact O-N 2.69Å |
| 347 | H | 88.8 | Confident | 79.4 | Confident | 25 Ų | 25 | 94.2 Ų | 94.2 | 12% | 0.116 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 179.2 | 171.5 | 66.1 | 0 | 0 | 0 | 112.6 | C331 C334 F338 H343 L344 K349 T350 H351 | C331-H347 VanDerWaalsContact SG-CD2 3.59Å; C331-H347 PolarHBondContact SG-NE2 3.44Å; C334-H347 PolarHBondContact SG-NE2 3.45Å; F338-H347 HydrophobicContact CE1-CB 3.91Å; F338-H347 HydrophobicContact CE2-CB 4.07Å; F338-H347 AromaticContact CE2-CD2 3.29Å; F338-H347 WeakPolarHBondContact CE2-CD2 3.2Å; F338-H347 AromaticContact CE2-CG 3.71Å; F338-H347 AromaticContact CE2-NE2 3.92Å; F338-H347 HydrophobicContact CZ-CB 3.51Å; F338-H347 AromaticContact CZ-CD2 3.25Å; F338-H347 WeakPolarHBondContact CZ-CD2 3.09Å; F338-H347 AromaticContact CZ-CG 3.18Å; F338-H347 AromaticContact CZ-ND1 3.74Å; F338-H347 AromaticContact CZ-NE2 3.8Å; H343-H347 VanDerWaalsContact O-CB 3.26Å; H343-H347 WeakPolarHBondContact O-CB 3.29Å; H343-H347 PolarHBondContact O-N 3.14Å; L344-H347 CarbonylContact O-C 3.59Å; L344-H347 WeakPolarHBondContact O-CA 3.27Å; L344-H347 WeakPolarHBondContact O-CB 3.4Å; L344-H347 PolarHBondContact O-N 3.41Å; H347-K349 PolarHBondContact O-N 3.24Å; H347-T350 WeakPolarHBondContact O-CA 3.33Å; H347-T350 WeakPolarHBondContact O-CB 3.24Å; H347-T350 PolarHBondContact O-N 3.05Å; H347-T350 PolarHBondContact O-OG1 2.74Å; H347-H351 AromaticContact CD2-NE2 3.65Å; H347-H351 AromaticContact CE1-CE1 3.69Å; H347-H351 AromaticContact CE1-NE2 3.35Å; H347-H351 PolarHBondContact CE1-NE2 3.05Å; H347-H351 AromaticContact NE2-CD2 3.99Å; H347-H351 AromaticContact NE2-CE1 3.66Å; H347-H351 AromaticContact NE2-NE2 2.94Å; H347-H351 PolarHBondContact NE2-NE2 2.84Å |
| 348 | V | 86.8 | Confident | 78.1 | Confident | 53 Ų | 53 | 92 Ų | 92 | 32% | 0.321 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.9 | -34.7 | 178.3 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | L344 T350 H351 | L344-V348 HydrophobicContact CD1-CG2 3.66Å; L344-V348 HydrophobicContact CG-CG2 4.13Å; L344-V348 WeakPolarHBondContact O-CG2 3.23Å; L344-V348 PolarHBondContact O-N 2.86Å; V348-T350 PolarHBondContact O-N 3.44Å; V348-H351 WeakPolarHBondContact O-CB 3.39Å; V348-H351 PolarHBondContact O-N 3.44Å |
| 349 | K | 87.8 | Confident | 76.9 | Confident | 138 Ų | 138 | 97 Ų | 97 | 60% | 0.6 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.2 | -24.2 | 173.6 | -66.1 | 174 | -177 | -170.2 | 0 | 113.3 | A345 K346 H347 H351 Q352 | A345-K349 WeakPolarHBondContact O-CG 3.23Å; A345-K349 PolarHBondContact O-N 3.33Å; K346-K349 WeakPolarHBondContact O-CB 3.2Å; K346-K349 PolarHBondContact O-N 2.69Å; H347-K349 PolarHBondContact O-N 3.24Å; K349-H351 VanDerWaalsContact C-N 3.27Å; K349-H351 PolarHBondContact O-N 2.88Å; K349-Q352 WeakPolarHBondContact O-CB 3.28Å; K349-Q352 VanDerWaalsContact O-CG 3.28Å; K349-Q352 WeakPolarHBondContact O-CG 3.24Å; K349-Q352 PolarHBondContact O-N 2.86Å |
| 350 | T | 85.3 | Confident | 75.6 | Confident | 91 Ų | 91 | 102.5 Ų | 102.5 | 56% | 0.558 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -73.8 | -17.6 | 176.3 | 70.7 | 0 | 0 | 0 | 0 | 113.2 | H347 V348 Q352 | H347-T350 WeakPolarHBondContact O-CA 3.33Å; H347-T350 WeakPolarHBondContact O-CB 3.24Å; H347-T350 PolarHBondContact O-N 3.05Å; H347-T350 PolarHBondContact O-OG1 2.74Å; V348-T350 PolarHBondContact O-N 3.44Å; T350-Q352 PolarHBondContact O-N 3.47Å |
| 351 | H | 80.6 | Confident | 74 | Confident | 30 Ų | 30 | 107.9 Ų | 107.9 | 14% | 0.139 | 52% | 0.524 | C | S | . | . | G | 310 helix | trans | -79 | -4.2 | 176.3 | -64.5 | -52.7 | 0 | 0 | 0 | 113.9 | C331 D333 C334 H347 V348 K349 N353 K354 | C331-H351 VanDerWaalsContact SG-CD2 3.51Å; C331-H351 PolarHBondContact SG-NE2 3.34Å; D333-H351 HydrophobicContact CB-CB 4.4Å; D333-H351 IonicContact OD2-CD2 2.82Å; D333-H351 PolarHBondContact OD2-CD2 3.4Å; D333-H351 VanDerWaalsContact OD2-CD2 3.31Å; D333-H351 IonicContact OD2-CG 2.85Å; C334-H351 PolarHBondContact SG-CE1 2.97Å; C334-H351 PolarHBondContact SG-NE2 3.46Å; C334-H351 VanDerWaalsContact SG-NE2 3.39Å; H347-H351 AromaticContact CD2-NE2 3.65Å; H347-H351 AromaticContact CE1-CE1 3.69Å; H347-H351 AromaticContact CE1-NE2 3.35Å; H347-H351 PolarHBondContact CE1-NE2 3.05Å; H347-H351 AromaticContact NE2-CD2 3.99Å; H347-H351 AromaticContact NE2-CE1 3.66Å; H347-H351 AromaticContact NE2-NE2 2.94Å; H347-H351 PolarHBondContact NE2-NE2 2.84Å; V348-H351 WeakPolarHBondContact O-CB 3.39Å; V348-H351 PolarHBondContact O-N 3.44Å; K349-H351 VanDerWaalsContact C-N 3.27Å; K349-H351 PolarHBondContact O-N 2.88Å; H351-N353 PolarHBondContact O-N 2.84Å; H351-K354 PolarHBondContact O-N 3.45Å |
| 352 | Q | 68.6 | Low | 72.4 | Confident | 156 Ų | 156 | 107.8 Ų | 107.8 | 73% | 0.729 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -56.1 | -17.9 | 177.4 | -72.1 | 177.5 | 2.2 | 0 | 0 | 113.5 | K349 T350 | K349-Q352 WeakPolarHBondContact O-CB 3.28Å; K349-Q352 VanDerWaalsContact O-CG 3.28Å; K349-Q352 WeakPolarHBondContact O-CG 3.24Å; K349-Q352 PolarHBondContact O-N 2.86Å; T350-Q352 PolarHBondContact O-N 3.47Å |
| 353 | N | 61.6 | Low | 70.8 | Confident | 158 Ų | 158 | 110.5 Ų | 110.5 | 85% | 0.845 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -121 | 5.8 | 176.3 | -75.8 | -32 | 0 | 0 | 0 | 115.3 | H351 | H351-N353 PolarHBondContact O-N 2.84Š|
| 354 | K | 62.7 | Low | 69 | Low | 164 Ų | 164 | 112.5 Ų | 112.5 | 71% | 0.713 | 55% | 0.548 | S | S | * | . | trans | -147.7 | 106.8 | 177.5 | -71.2 | -173.1 | -180 | 179.4 | 0 | 110.8 | H351 S356 | H351-K354 PolarHBondContact O-N 3.45Å; K354-S356 PolarHBondContact O-N 3.41Å | ||
| 355 | R | 54.1 | Low | 67.1 | Low | 257 Ų | 257 | 116.9 Ų | 116.9 | 97% | 0.97 | 57% | 0.567 | S | S | * | * | trans | -78.7 | 94.2 | 164.2 | -86.7 | 178.1 | 164 | 163.1 | -4.1 | 108.7 | ||||
| 356 | S | 60.5 | Low | 65.4 | Low | 61 Ų | 61 | 116 Ų | 116 | 43% | 0.427 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -95.9 | 139.7 | 150.1 | 51.9 | 0 | 0 | 0 | 0 | 107.5 | D333 K354 | D333-S356 CarbonylContact C-O 3.35Å; D333-S356 CarbonylContact O-C 3.59Å; K354-S356 PolarHBondContact O-N 3.41Å |
| 357 | K | 62.9 | Low | 63.5 | Low | 187 Ų | 187 | 116.8 Ų | 116.8 | 81% | 0.813 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 130.2 | -179.9 | -166.8 | 173.8 | -175.3 | 178.8 | 0 | 107.5 | D333 H359 | D333-K357 CarbonylContact O-C 3.34Å; D333-K357 VanDerWaalsContact O-C 3.31Å; K357-H359 PolarHBondContact O-N 3.33Å |
| 358 | C | 57.6 | Low | 61.6 | Low | 36 Ų | 36 | 123.9 Ų | 123.9 | 24% | 0.243 | 59% | 0.586 | C | S | . | * | P | Polyproline II helix | trans | -70.1 | 124.1 | 173.6 | -179.9 | 0 | 0 | 0 | 0 | 109.5 | D333 C335 | D333-C358 PolarHBondContact O-N 2.86Å; C335-C358 HydrophobicContact CB-CB 3.94Å; C335-C358 WeakPolarHBondContact CB-SG 3.38Å; C335-C358 WeakPolarHBondContact SG-CB 3.25Å; C335-C358 CovalentContact SG-SG 2Å; C335-C358 PolarHBondContact SG-SG 3.07Å |
| 359 | H | 58.4 | Low | 59.9 | Low | 143 Ų | 143 | 126.9 Ų | 126.9 | 66% | 0.662 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 127.9 | 166.7 | -89.4 | -79.9 | 0 | 0 | 0 | 109.8 | K357 K361 T362 | K357-H359 PolarHBondContact O-N 3.33Å; H359-K361 PolarHBondContact O-N 3.3Å; H359-T362 PolarHBondContact O-N 3.11Å; H359-T362 PolarHBondContact O-OG1 3.39Å |
| 360 | E | 57.2 | Low | 58 | Low | 164 Ų | 164 | 124.1 Ų | 124.1 | 77% | 0.766 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.9 | -21.3 | -175.8 | -162.8 | 163.4 | 168.5 | 0 | 0 | 114.8 | T362 L363 | E360-T362 PolarHBondContact O-N 2.88Å; E360-L363 PolarHBondContact O-N 2.89Å |
| 361 | K | 51.2 | Low | 56.4 | Low | 184 Ų | 184 | 123.8 Ų | 123.8 | 80% | 0.8 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -7.4 | 178.6 | -62.9 | -176.2 | 179.9 | -178.8 | 0 | 115.2 | H359 | H359-K361 PolarHBondContact O-N 3.3Š|
| 362 | T | 53.4 | Low | 55 | Low | 66 Ų | 66 | 132.3 Ų | 132.3 | 41% | 0.405 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -88.3 | -16.2 | -179 | 44 | 0 | 0 | 0 | 0 | 114 | H359 E360 D364 V366 | H359-T362 PolarHBondContact O-N 3.11Å; H359-T362 PolarHBondContact O-OG1 3.39Å; E360-T362 PolarHBondContact O-N 2.88Å; T362-D364 VanDerWaalsContact C-N 3.33Å; T362-D364 PolarHBondContact O-N 3.47Å; T362-V366 WeakPolarHBondContact O-CB 3.26Å; T362-V366 WeakPolarHBondContact O-CG2 3.22Å; T362-V366 PolarHBondContact O-N 2.89Å |
| 363 | L | 54 | Low | 54 | Low | 112 Ų | 112 | 131.7 Ų | 131.7 | 59% | 0.586 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.8 | -32.7 | 177.4 | -76.5 | 166.2 | 0 | 0 | 0 | 112.6 | E360 V366 K367 | E360-L363 PolarHBondContact O-N 2.89Å; L363-V366 PolarHBondContact O-N 3.33Å; L363-K367 PolarHBondContact O-N 3.44Å |
| 364 | D | 50 | Low | 53.3 | Low | 115 Ų | 115 | 131.5 Ų | 131.5 | 62% | 0.615 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -76.6 | -32.9 | 178.7 | -67.2 | -45 | 0 | 0 | 0 | 113.6 | T362 V366 | T362-D364 VanDerWaalsContact C-N 3.33Å; T362-D364 PolarHBondContact O-N 3.47Å; D364-V366 VanDerWaalsContact C-N 3.28Å |
| 365 | H | 52.1 | Low | 52.1 | Low | 121 Ų | 121 | 133.9 Ų | 133.9 | 56% | 0.56 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70.6 | -31.4 | 174.1 | -156.7 | -48 | 0 | 0 | 0 | 111.4 | R368 E369 | H365-R368 PolarHBondContact O-N 2.97Å; H365-E369 PolarHBondContact O-N 3.22Å |
| 366 | V | 51.9 | Low | 52 | Low | 35 Ų | 35 | 127.7 Ų | 127.7 | 21% | 0.212 | 62% | 0.617 | C | S | . | * | H | α-helix | trans | -74.7 | -33.3 | -179.2 | 168.1 | 0 | 0 | 0 | 0 | 112.1 | T362 L363 D364 R368 E369 D370 | T362-V366 WeakPolarHBondContact O-CB 3.26Å; T362-V366 WeakPolarHBondContact O-CG2 3.22Å; T362-V366 PolarHBondContact O-N 2.89Å; L363-V366 PolarHBondContact O-N 3.33Å; D364-V366 VanDerWaalsContact C-N 3.28Å; V366-R368 VanDerWaalsContact C-N 3.26Å; V366-R368 PolarHBondContact O-N 2.64Å; V366-E369 PolarHBondContact O-N 2.84Å; V366-D370 PolarHBondContact O-N 2.99Å; V366-D370 VanDerWaalsContact O-N 3.16Å |
| 367 | K | 48.6 | Very low | 51.6 | Low | 156 Ų | 156 | 131.2 Ų | 131.2 | 68% | 0.678 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64.7 | -30.7 | 173.6 | -151.2 | 173 | -174.2 | -179.3 | 0 | 112.2 | L363 T371 | L363-K367 PolarHBondContact O-N 3.44Å; K367-T371 WeakPolarHBondContact O-CG2 3.22Å; K367-T371 PolarHBondContact O-N 3.33Å; K367-T371 PolarHBondContact O-OG1 3.39Å |
| 368 | R | 47.9 | Very low | 51 | Low | 175 Ų | 175 | 128.1 Ų | 128.1 | 66% | 0.66 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -72.5 | -33.3 | 175.4 | -68.8 | -175.8 | -162.3 | 161.3 | 4.8 | 113.5 | H365 V366 T371 R372 | H365-R368 PolarHBondContact O-N 2.97Å; V366-R368 VanDerWaalsContact C-N 3.26Å; V366-R368 PolarHBondContact O-N 2.64Å; R368-T371 WeakPolarHBondContact CA-OG1 3.36Å; R368-T371 PolarHBondContact O-OG1 2.94Å; R368-R372 WeakPolarHBondContact O-CB 3.29Å; R368-R372 PolarHBondContact O-N 2.86Å; R368-R372 VanDerWaalsContact O-N 3.16Å |
| 369 | E | 50.9 | Low | 50.6 | Low | 115 Ų | 115 | 133.5 Ų | 133.5 | 54% | 0.537 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -72.5 | -39 | 175 | -71.6 | -171.8 | 159.9 | 0 | 0 | 111.8 | H365 V366 T371 R372 N373 | H365-E369 PolarHBondContact O-N 3.22Å; V366-E369 PolarHBondContact O-N 2.84Å; E369-T371 VanDerWaalsContact C-N 3.28Å; E369-T371 PolarHBondContact O-N 3.09Å; E369-R372 PolarHBondContact O-N 3.01Å; E369-R372 VanDerWaalsContact O-N 3.13Å; E369-N373 PolarHBondContact O-N 3.15Å |
| 370 | D | 48.7 | Very low | 50.1 | Low | 81 Ų | 81 | 132.9 Ų | 132.9 | 43% | 0.433 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -64.3 | -31.8 | 175.2 | -72.5 | -23.3 | 0 | 0 | 0 | 111.5 | R337 V366 M374 | R337-D370 IonicContact CZ-OD2 3.31Å; R337-D370 IonicContact NH1-OD1 3.76Å; R337-D370 IonicContact NH1-OD2 3.78Å; R337-D370 PolarHBondContact NH1-OD2 2.81Å; R337-D370 IonicContact NH2-OD2 3.75Å; V366-D370 PolarHBondContact O-N 2.99Å; V366-D370 VanDerWaalsContact O-N 3.16Å; D370-M374 WeakPolarHBondContact O-CG 3.44Å |
| 371 | T | 51.8 | Low | 49.6 | Very low | 84 Ų | 84 | 130.9 Ų | 130.9 | 52% | 0.515 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -77.8 | -23.5 | 172.3 | 52.2 | 0 | 0 | 0 | 0 | 114.5 | K367 R368 E369 | K367-T371 WeakPolarHBondContact O-CG2 3.22Å; K367-T371 PolarHBondContact O-N 3.33Å; K367-T371 PolarHBondContact O-OG1 3.39Å; R368-T371 WeakPolarHBondContact CA-OG1 3.36Å; R368-T371 PolarHBondContact O-OG1 2.94Å; E369-T371 VanDerWaalsContact C-N 3.28Å; E369-T371 PolarHBondContact O-N 3.09Å |
| 372 | R | 51.4 | Low | 49.5 | Very low | 209 Ų | 209 | 127.1 Ų | 127.1 | 79% | 0.789 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -85.2 | -20.5 | -177.4 | -153.2 | 178.9 | -164.4 | 128.6 | 1.2 | 113.1 | R368 E369 M374 | R368-R372 WeakPolarHBondContact O-CB 3.29Å; R368-R372 PolarHBondContact O-N 2.86Å; R368-R372 VanDerWaalsContact O-N 3.16Å; E369-R372 PolarHBondContact O-N 3.01Å; E369-R372 VanDerWaalsContact O-N 3.13Å; R372-M374 VanDerWaalsContact C-N 3.34Å |
| 373 | N | 46.7 | Very low | 49.2 | Very low | 142 Ų | 142 | 131.8 Ų | 131.8 | 76% | 0.759 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | 4.1 | 172 | -79 | -28.2 | 0 | 0 | 0 | 113.4 | E369 | E369-N373 PolarHBondContact O-N 3.15Š|
| 374 | M | 46.9 | Very low | 48.8 | Very low | 155 Ų | 155 | 133.4 Ų | 133.4 | 76% | 0.764 | 64% | 0.637 | S | S | * | * | trans | -111.6 | -1.9 | 179.2 | -76.4 | -80.8 | 159.4 | 0 | 0 | 113.3 | D370 R372 | D370-M374 WeakPolarHBondContact O-CG 3.44Å; R372-M374 VanDerWaalsContact C-N 3.34Å | ||
| 375 | L | 39 | Very low | 48.7 | Very low | 213 Ų | 213 | 135.1 Ų | 135.1 | 100% | 1.115 | 64% | 0.639 | S | S | * | * | trans | -109.5 | 0 | 170.3 | -77.5 | 160.9 | 0 | 0 | 0 | 108.1 |
Retrieved 375 of 375 residues in 347.2 ms
(Link to these results)