| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33 | Very low | 29.2 | Very low | 235 Ų | 235 | 133.5 Ų | 133.5 | 100% | 1.158 | 83% | 0.826 | S | S | * | * | 0 | 141.9 | 0 | -65.3 | 154.2 | 80.6 | 0 | 0 | 107.1 | |||||
| 2 | S | 29 | Very low | 29 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | 40.9 | 116.7 | 165.8 | 50.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 3 | G | 29.3 | Very low | 29.1 | Very low | 77 Ų | 77 | 128.5 Ų | 128.5 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | 97.8 | 141.7 | 61.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 4 | S | 29.1 | Very low | 29.2 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | cis | -121.6 | 152.8 | 15 | -76.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 5 | V | 31.5 | Very low | 29.5 | Very low | 135 Ų | 135 | 126.2 Ų | 126.2 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | 75.8 | 121.1 | 51.3 | 179.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 6 | G | 28.8 | Very low | 30.1 | Very low | 79 Ų | 79 | 124.3 Ų | 124.3 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | trans | 176.7 | 84.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 7 | E | 29.1 | Very low | 30.7 | Very low | 173 Ų | 173 | 122.4 Ų | 122.4 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | trans | -79.7 | 176.8 | 177.1 | -78 | 170.7 | 66.4 | 0 | 0 | 113.3 | ||||
| 8 | M | 26.9 | Very low | 31.4 | Very low | 154 Ų | 154 | 121.7 Ų | 121.7 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | cis | 178.1 | 128 | -35.5 | 176.8 | -173.9 | -101.6 | 0 | 0 | 108.3 | ||||
| 9 | A | 25.9 | Very low | 31.9 | Very low | 90 Ų | 90 | 123.3 Ų | 123.3 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | trans | 176 | 133.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 10 | Q | 29.5 | Very low | 32.3 | Very low | 162 Ų | 162 | 124.4 Ų | 124.4 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | cis | 69.3 | 125 | 35.8 | -62.7 | -158.4 | 25.1 | 0 | 0 | 114.1 | ||||
| 11 | T | 28.5 | Very low | 32.6 | Very low | 124 Ų | 124 | 125.6 Ų | 125.6 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | cis | -134.6 | -179.9 | 1.3 | 56.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 12 | S | 27.8 | Very low | 33 | Very low | 99 Ų | 99 | 120.5 Ų | 120.5 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | cis | -169.1 | 160.9 | 37.5 | 55.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 13 | S | 29.5 | Very low | 33.9 | Very low | 104 Ų | 104 | 124.2 Ų | 124.2 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | trans | -5.9 | 154.4 | 153.6 | 49.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 14 | S | 30.2 | Very low | 34.2 | Very low | 112 Ų | 112 | 125.1 Ų | 125.1 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | cis | -178.4 | 147.3 | -2 | 46.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 15 | S | 34.3 | Very low | 34.5 | Very low | 110 Ų | 110 | 124 Ų | 124 | 77% | 0.769 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -166.4 | -13.7 | 159.5 | 60.2 | 0 | 0 | 0 | 0 | 118.1 | S17 | S15-S17 PolarHBondContact O-N 3.37Š|
| 16 | S | 39 | Very low | 34.7 | Very low | 96 Ų | 96 | 124.7 Ų | 124.7 | 67% | 0.671 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -14.9 | -164 | 57.3 | 0 | 0 | 0 | 0 | 117.3 | T18 F19 | S16-T18 PolarHBondContact O-N 2.9Å; S16-T18 VanDerWaalsContact O-N 3.12Å; S16-F19 PolarHBondContact O-N 3.22Å |
| 17 | S | 41 | Very low | 35 | Very low | 91 Ų | 91 | 129.8 Ų | 129.8 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -69 | -12.1 | -169.1 | 55.3 | 0 | 0 | 0 | 0 | 115.6 | S15 | S15-S17 PolarHBondContact O-N 3.37Å |
| 18 | T | 43.4 | Very low | 35.7 | Very low | 110 Ų | 110 | 127.4 Ų | 127.4 | 68% | 0.675 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -84.6 | -18.7 | 179.9 | -34.7 | 0 | 0 | 0 | 0 | 113.2 | S16 | S16-T18 PolarHBondContact O-N 2.9Å; S16-T18 VanDerWaalsContact O-N 3.12Å |
| 19 | F | 40 | Very low | 35.7 | Very low | 153 Ų | 153 | 128.5 Ų | 128.5 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -89.6 | -40.2 | -171.7 | -159.2 | -97.6 | 0 | 0 | 0 | 113 | S16 H21 L22 | S16-F19 PolarHBondContact O-N 3.22Å; F19-H21 VanDerWaalsContact C-N 3.34Å; F19-H21 PolarHBondContact O-N 2.94Å; F19-L22 PolarHBondContact O-N 3.32Å |
| 20 | E | 40.6 | Very low | 35.9 | Very low | 144 Ų | 144 | 129.2 Ų | 129.2 | 67% | 0.673 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -53 | -48 | 177.4 | -69.6 | -89.7 | 115.9 | 0 | 0 | 112.2 | L22 W23 S24 | E20-L22 PolarHBondContact O-N 3.25Å; E20-L22 VanDerWaalsContact O-N 3.14Å; E20-W23 PolarHBondContact O-N 3.33Å; E20-S24 PolarHBondContact O-N 3.49Å; E20-S24 PolarHBondContact O-OG 3.06Å |
| 21 | H | 39.1 | Very low | 36 | Very low | 151 Ų | 151 | 128 Ų | 128 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -62.9 | -21.7 | -176.4 | -80.7 | -63.8 | 0 | 0 | 0 | 114.9 | F19 S25 | F19-H21 VanDerWaalsContact C-N 3.34Å; F19-H21 PolarHBondContact O-N 2.94Å; H21-S25 PolarHBondContact O-OG 3.45Å |
| 22 | L | 40.3 | Very low | 35.8 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 67% | 0.665 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -79 | -28.9 | 173.5 | -77.2 | 166.2 | 0 | 0 | 0 | 112.2 | F19 E20 | F19-L22 PolarHBondContact O-N 3.32Å; E20-L22 PolarHBondContact O-N 3.25Å; E20-L22 VanDerWaalsContact O-N 3.14Å |
| 23 | W | 47.6 | Very low | 35.8 | Very low | 202 Ų | 202 | 133.3 Ų | 133.3 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -82.9 | -33.2 | -177.2 | -151.7 | -96.6 | 0 | 0 | 0 | 112.6 | E20 S25 | E20-W23 PolarHBondContact O-N 3.33Å; W23-S25 PolarHBondContact O-N 2.97Å; W23-S25 VanDerWaalsContact O-N 3.07Å |
| 24 | S | 36.8 | Very low | 35.7 | Very low | 96 Ų | 96 | 134 Ų | 134 | 67% | 0.671 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 2.3 | 175.9 | -44.5 | 0 | 0 | 0 | 0 | 115 | E20 | E20-S24 PolarHBondContact O-N 3.49Å; E20-S24 PolarHBondContact O-OG 3.06Å |
| 25 | S | 34.3 | Very low | 35.7 | Very low | 92 Ų | 92 | 136.1 Ų | 136.1 | 64% | 0.643 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | 10 | -178.8 | -59.1 | 0 | 0 | 0 | 0 | 113.7 | H21 W23 | H21-S25 PolarHBondContact O-OG 3.45Å; W23-S25 PolarHBondContact O-N 2.97Å; W23-S25 VanDerWaalsContact O-N 3.07Å |
| 26 | L | 36.4 | Very low | 35.6 | Very low | 149 Ų | 149 | 136.6 Ų | 136.6 | 78% | 0.78 | 73% | 0.732 | S | S | * | * | trans | -134.9 | 76.4 | -177 | -71.1 | 172.9 | 0 | 0 | 0 | 111.6 | ||||
| 27 | E | 35.3 | Very low | 35.1 | Very low | 186 Ų | 186 | 140.7 Ų | 140.7 | 87% | 0.869 | 74% | 0.74 | S | S | * | * | trans | -107.5 | 154.3 | 158.2 | -71.9 | -156 | 126.7 | 0 | 0 | 110.9 | ||||
| 28 | P | 43 | Very low | 34.7 | Very low | 124 Ų | 124 | 142 Ų | 142 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | trans | -107 | 99.7 | -162.2 | 36.7 | -26.8 | 0 | 0 | 0 | 113.5 | ||||
| 29 | D | 27.8 | Very low | 33.9 | Very low | 176 Ų | 176 | 141.1 Ų | 141.1 | 94% | 0.941 | 75% | 0.745 | S | S | * | * | trans | -79.4 | 133.3 | 167.9 | -92.4 | -35.7 | 0 | 0 | 0 | 112 | ||||
| 30 | S | 29.7 | Very low | 33.4 | Very low | 105 Ų | 105 | 143.3 Ų | 143.3 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | -130.7 | 125.7 | 179.1 | 173.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 31 | T | 30.3 | Very low | 32.7 | Very low | 136 Ų | 136 | 140.1 Ų | 140.1 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | trans | -173.6 | 124.4 | 144.2 | 14.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 32 | Y | 26.2 | Very low | 32.2 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 67% | 0.667 | 77% | 0.768 | S | S | * | * | 62.7 | 109 | 120.2 | -163.4 | -119.5 | 0 | 0 | 0 | 122.2 | |||||
| 33 | F | 27.7 | Very low | 31.6 | Very low | 166 Ų | 166 | 137.8 Ų | 137.8 | 73% | 0.728 | 77% | 0.769 | S | S | * | * | -179.2 | 108.2 | 117.2 | -105.7 | -84.9 | 0 | 0 | 0 | 106.2 | |||||
| 34 | D | 27.3 | Very low | 30.6 | Very low | 118 Ų | 118 | 137 Ų | 137 | 63% | 0.631 | 77% | 0.774 | S | S | * | * | 89.9 | 140.5 | 76.7 | -160 | 10.8 | 0 | 0 | 0 | 113.3 | |||||
| 35 | L | 29.2 | Very low | 30.1 | Very low | 157 Ų | 157 | 136.5 Ų | 136.5 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | -158.8 | 127.1 | -176.3 | -108.2 | 140.1 | 0 | 0 | 0 | 110.2 | ||||
| 36 | P | 33.3 | Very low | 29.8 | Very low | 120 Ų | 120 | 138 Ų | 138 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -80.2 | 147.2 | -169 | 31.3 | -36.4 | 0 | 0 | 0 | 114.3 | ||||
| 37 | Q | 29 | Very low | 29.3 | Very low | 181 Ų | 181 | 134.7 Ų | 134.7 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -74.3 | 165.1 | 159.8 | -68.7 | -171.5 | -7.6 | 0 | 0 | 111.3 | ||||
| 38 | P | 31.2 | Very low | 28.9 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | -137 | 136.1 | 107.6 | 36.2 | -25.7 | 0 | 0 | 0 | 115.9 | |||||
| 39 | S | 26.8 | Very low | 28.2 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | trans | 29.5 | 117.8 | 144.3 | 61.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 40 | Q | 29.1 | Very low | 28.2 | Very low | 198 Ų | 198 | 133.5 Ų | 133.5 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | 21.2 | 132.1 | 128.3 | -66.2 | 178.7 | -33.3 | 0 | 0 | 121.1 | |||||
| 41 | G | 26.2 | Very low | 28.1 | Very low | 77 Ų | 77 | 133.7 Ų | 133.7 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | -158.6 | 144.2 | 154.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 42 | T | 28.1 | Very low | 27.8 | Very low | 133 Ų | 133 | 134.5 Ų | 134.5 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | trans | -128.5 | 167.1 | -169.8 | 54.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 43 | S | 28.3 | Very low | 27.8 | Very low | 97 Ų | 97 | 133.5 Ų | 133.5 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | 88.7 | 107.2 | 156.3 | -55.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 44 | E | 27.1 | Very low | 27.7 | Very low | 185 Ų | 185 | 132 Ų | 132 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | 55.6 | 144 | 121.9 | -62.1 | -172.6 | 109.7 | 0 | 0 | 124.8 | |||||
| 45 | A | 26.7 | Very low | 27.8 | Very low | 85 Ų | 85 | 132 Ų | 132 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | trans | 83.4 | 108.3 | 141.9 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 46 | S | 26.9 | Very low | 27.7 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | 39.2 | 130.5 | 131.4 | 63.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 47 | G | 25.5 | Very low | 27.3 | Very low | 81 Ų | 81 | 135.5 Ų | 135.5 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | trans | 175.6 | 121.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 48 | S | 27.4 | Very low | 27.2 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | -76.6 | 157.1 | -176.8 | 45 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 49 | E | 29.1 | Very low | 26.9 | Very low | 176 Ų | 176 | 136.9 Ų | 136.9 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | 85 | 131.2 | 142.8 | -78.1 | 164 | -172 | 0 | 0 | 123.4 | ||||
| 50 | E | 28.1 | Very low | 26.9 | Very low | 181 Ų | 181 | 135.5 Ų | 135.5 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | 38.6 | 135.6 | 151.5 | -47.8 | -156.4 | 135.7 | 0 | 0 | 121.3 | ||||
| 51 | S | 26.6 | Very low | 26.6 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | -175.8 | 166.9 | 53.5 | 48.1 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 52 | N | 24 | Very low | 26.6 | Very low | 154 Ų | 154 | 136.5 Ų | 136.5 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | 86.5 | 155.2 | 151.6 | -137.6 | -11 | 0 | 0 | 0 | 120.7 | ||||
| 53 | M | 25.6 | Very low | 26.5 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -86.1 | 170.7 | -172.9 | -64.1 | -174.9 | 58.9 | 0 | 0 | 110.7 | ||||
| 54 | D | 26.6 | Very low | 26.4 | Very low | 134 Ų | 134 | 144.4 Ų | 144.4 | 72% | 0.717 | 80% | 0.803 | S | S | * | * | -164.9 | 170.9 | 57.8 | -139.5 | -24.5 | 0 | 0 | 0 | 116.4 | |||||
| 55 | V | 28.7 | Very low | 26.4 | Very low | 117 Ų | 117 | 142 Ų | 142 | 71% | 0.709 | 80% | 0.796 | S | S | * | * | trans | -88.8 | 128.8 | -176.2 | 173 | 0 | 0 | 0 | 0 | 111 | ||||
| 56 | F | 27.4 | Very low | 26.6 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | -105 | 99.9 | 169.7 | -94.3 | -82 | 0 | 0 | 0 | 113.4 | ||||
| 57 | H | 25.1 | Very low | 26.7 | Very low | 167 Ų | 167 | 146.6 Ų | 146.6 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -89.7 | 134 | 157.5 | -165.4 | 86.5 | 0 | 0 | 0 | 108 | ||||
| 58 | L | 26.9 | Very low | 26.7 | Very low | 158 Ų | 158 | 148.1 Ų | 148.1 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | trans | -136.9 | 101.3 | -177.8 | -162.4 | 74.3 | 0 | 0 | 0 | 112.5 | ||||
| 59 | Q | 25.2 | Very low | 26.7 | Very low | 169 Ų | 169 | 148.6 Ų | 148.6 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -126.8 | 85.3 | 179.3 | 177.5 | 64.2 | 28.5 | 0 | 0 | 110.2 | ||||
| 60 | G | 25.5 | Very low | 26.6 | Very low | 65 Ų | 65 | 145 Ų | 145 | 67% | 0.67 | 80% | 0.799 | S | S | * | * | trans | 59.3 | 147.3 | 152.8 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 61 | M | 23.5 | Very low | 26.8 | Very low | 190 Ų | 190 | 143.9 Ų | 143.9 | 94% | 0.936 | 80% | 0.796 | S | S | * | * | trans | -168.5 | 128.2 | 139.1 | -111.3 | -170.6 | -173.1 | 0 | 0 | 112.1 | ||||
| 62 | A | 26 | Very low | 27.1 | Very low | 105 Ų | 105 | 145 Ų | 145 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | trans | -162.1 | 133.6 | 150.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 63 | Q | 25.8 | Very low | 27.5 | Very low | 173 Ų | 173 | 144.1 Ų | 144.1 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | trans | -101.2 | 148.4 | -178.6 | -59.9 | 164.1 | -56.8 | 0 | 0 | 110.4 | ||||
| 64 | F | 27.3 | Very low | 27.6 | Very low | 223 Ų | 223 | 144.9 Ų | 144.9 | 98% | 0.978 | 79% | 0.788 | S | S | * | * | trans | -143 | 155.5 | 142.3 | -101 | -76 | 0 | 0 | 0 | 109.4 | ||||
| 65 | N | 26.4 | Very low | 27.7 | Very low | 136 Ų | 136 | 141.5 Ų | 141.5 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -136.7 | 150 | -153.3 | -154.2 | 5.9 | 0 | 0 | 0 | 112.4 | ||||
| 66 | L | 30.4 | Very low | 27.8 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | trans | 59.4 | 122.4 | 165.2 | -58.8 | 167.6 | 0 | 0 | 0 | 119 | ||||
| 67 | L | 29.8 | Very low | 28 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | -174.6 | 155.6 | 104.4 | -104.6 | 161.6 | 0 | 0 | 0 | 114.7 | |||||
| 68 | S | 25.8 | Very low | 28.2 | Very low | 113 Ų | 113 | 141 Ų | 141 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | 70.7 | 118.8 | 159.4 | -60 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 69 | S | 26.5 | Very low | 28.5 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -94.5 | 160 | 173.8 | -45.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 70 | A | 28.4 | Very low | 29.5 | Very low | 99 Ų | 99 | 136.2 Ų | 136.2 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -140.8 | 110 | 158.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 71 | M | 32.2 | Very low | 29.7 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | -71.6 | 167 | 157.2 | 50.6 | -86.4 | 158.6 | 0 | 0 | 109.4 | ||||
| 72 | D | 31.4 | Very low | 30 | Very low | 131 Ų | 131 | 134.3 Ų | 134.3 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | cis | -163.3 | -172.3 | 15.5 | -143.2 | -4.6 | 0 | 0 | 0 | 108.3 | ||||
| 73 | Q | 32.5 | Very low | 30.9 | Very low | 136 Ų | 136 | 134 Ų | 134 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | cis | -161.6 | 159.9 | 1.6 | -155.3 | 170.5 | 95 | 0 | 0 | 110.5 | ||||
| 74 | M | 28.3 | Very low | 31 | Very low | 165 Ų | 165 | 136.2 Ų | 136.2 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | 67.2 | 140.5 | 151.6 | -147 | 169.9 | -60.2 | 0 | 0 | 120.9 | ||||
| 75 | G | 29.3 | Very low | 31.3 | Very low | 64 Ų | 64 | 131.7 Ų | 131.7 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | cis | 144.6 | 121.6 | -17.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 76 | S | 30.3 | Very low | 32.1 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | 161.9 | 118.3 | 154.7 | -81.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 77 | R | 32.5 | Very low | 32.2 | Very low | 245 Ų | 245 | 132.1 Ų | 132.1 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | 76.7 | 138.2 | 83.9 | -96.9 | -172.4 | 162.4 | 169.3 | -4.9 | 114.2 | |||||
| 78 | A | 28.5 | Very low | 32.5 | Very low | 96 Ų | 96 | 132.8 Ų | 132.8 | 79% | 0.793 | 78% | 0.784 | S | S | * | * | cis | -156.8 | 172.2 | -0.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 79 | A | 33.7 | Very low | 32.6 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | trans | -133.8 | 148.8 | 169 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 80 | P | 46 | Very low | 33.2 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | -146.1 | 171 | 126.6 | 35.7 | -19.8 | 0 | 0 | 0 | 112.6 | |||||
| 81 | A | 29 | Very low | 33.3 | Very low | 99 Ų | 99 | 132.5 Ų | 132.5 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | cis | -163.6 | 172 | -23.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 82 | S | 30 | Very low | 33.4 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -47.7 | 175.9 | 177.3 | -118.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 83 | P | 44.7 | Very low | 33.8 | Very low | 99 Ų | 99 | 128.8 Ų | 128.8 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | cis | -140 | -172.7 | 4.1 | 34.4 | -11.3 | 0 | 0 | 0 | 117.1 | ||||
| 84 | Y | 28.8 | Very low | 33.8 | Very low | 219 Ų | 219 | 128.9 Ų | 128.9 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | 121.6 | 138.7 | 155.7 | -78.8 | -79 | 0 | 0 | 0 | 118.4 | ||||
| 85 | T | 32 | Very low | 34.2 | Very low | 128 Ų | 128 | 130 Ų | 130 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -128.8 | 159.1 | 170.3 | 47.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 86 | P | 44.5 | Very low | 34.4 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | -145.6 | -152.3 | 53.7 | 43.2 | -20.9 | 0 | 0 | 0 | 115.9 | |||||
| 87 | E | 32.9 | Very low | 35.1 | Very low | 161 Ų | 161 | 132.2 Ų | 132.2 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | -67.5 | 172 | -162.7 | -72 | 170.8 | 80.5 | 0 | 0 | 119.4 | ||||
| 88 | H | 35 | Very low | 35.7 | Very low | 176 Ų | 176 | 130.5 Ų | 130.5 | 82% | 0.815 | 80% | 0.801 | S | S | * | * | trans | 92 | 158.4 | 153.2 | -73.3 | -41.5 | 0 | 0 | 0 | 120.6 | ||||
| 89 | A | 27.7 | Very low | 36.2 | Very low | 99 Ų | 99 | 130.1 Ų | 130.1 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | 83.9 | 132.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 90 | A | 39.9 | Very low | 36.3 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -59.5 | 154.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 91 | S | 29.6 | Very low | 36.1 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -138.6 | 119.2 | 163.5 | -71.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 92 | A | 35.4 | Very low | 36.5 | Very low | 89 Ų | 89 | 132.7 Ų | 132.7 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 146.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | T94 | A92-T94 PolarHBondContact O-N 2.89Š|
| 93 | P | 38.3 | Very low | 36.9 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 126.3 | 177.7 | 27.6 | -33.4 | 0 | 0 | 0 | 110.8 | ||
| 94 | T | 33.6 | Very low | 36.7 | Very low | 139 Ų | 139 | 133.4 Ų | 133.4 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 133.4 | 175.1 | 37.2 | 0 | 0 | 0 | 0 | 111.2 | A92 S96 | A92-T94 PolarHBondContact O-N 2.89Å; T94-S96 PolarHBondContact O-N 3.32Å |
| 95 | H | 35.9 | Very low | 37.4 | Very low | 187 Ų | 187 | 130.1 Ų | 130.1 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 123.7 | 176.8 | -84.7 | -104.7 | 0 | 0 | 0 | 111.8 | ||
| 96 | S | 33.2 | Very low | 38 | Very low | 99 Ų | 99 | 132.1 Ų | 132.1 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 130.8 | 159.7 | -80.9 | 0 | 0 | 0 | 0 | 110 | T94 Y98 | T94-S96 PolarHBondContact O-N 3.32Å; S96-Y98 PolarHBondContact O-N 3.1Å |
| 97 | P | 44.9 | Very low | 37.7 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 17.3 | -168.3 | 33.3 | -38.5 | 0 | 0 | 0 | 114.9 | ||
| 98 | Y | 45.8 | Very low | 38.2 | Very low | 209 Ų | 209 | 131.9 Ų | 131.9 | 82% | 0.82 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.3 | 24.9 | -174.5 | -130.2 | -92.8 | 0 | 0 | 0 | 115.2 | S96 | S96-Y98 PolarHBondContact O-N 3.1Š|
| 99 | A | 38.9 | Very low | 38.3 | Very low | 87 Ų | 87 | 128.5 Ų | 128.5 | 72% | 0.719 | 78% | 0.78 | S | S | * | * | trans | -76 | 120.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 100 | Q | 36.8 | Very low | 39.6 | Very low | 148 Ų | 148 | 128.2 Ų | 128.2 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | trans | -61.3 | 150.8 | 167.1 | -68.1 | -72.9 | -74 | 0 | 0 | 109.6 | S102 | Q100-S102 VanDerWaalsContact C-N 3.32Å; Q100-S102 PolarHBondContact O-N 3.29Å | ||
| 101 | P | 40.4 | Very low | 40.6 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | trans | -70.5 | 88.8 | 176.1 | 29.6 | -34.4 | 0 | 0 | 0 | 110.4 | S103 | P101-S103 PolarHBondContact O-N 3.11Š| ||
| 102 | S | 37.3 | Very low | 42.4 | Very low | 108 Ų | 108 | 125.8 Ų | 125.8 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | -51.9 | 122.5 | 163.9 | -63.5 | 0 | 0 | 0 | 0 | 108.6 | Q100 T104 | Q100-S102 VanDerWaalsContact C-N 3.32Å; Q100-S102 PolarHBondContact O-N 3.29Å; S102-T104 PolarHBondContact O-N 3.38Å | ||
| 103 | S | 39.6 | Very low | 44.3 | Very low | 100 Ų | 100 | 125.7 Ų | 125.7 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | trans | -57.1 | 107.2 | -172.2 | -175.8 | 0 | 0 | 0 | 0 | 111.3 | P101 F105 | P101-S103 PolarHBondContact O-N 3.11Å; S103-F105 PolarHBondContact O-N 3Å | ||
| 104 | T | 39.7 | Very low | 46.5 | Very low | 131 Ų | 131 | 124.1 Ų | 124.1 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | trans | -75.1 | 67.5 | 171.3 | 54.3 | 0 | 0 | 0 | 0 | 109.6 | S102 | S102-T104 PolarHBondContact O-N 3.38Š| ||
| 105 | F | 43.2 | Very low | 49.1 | Very low | 149 Ų | 149 | 118.8 Ų | 118.8 | 65% | 0.654 | 69% | 0.689 | S | S | * | * | trans | -113.6 | 23 | 171.3 | -135.5 | -84.7 | 0 | 0 | 0 | 112.4 | S103 T107 | S103-F105 PolarHBondContact O-N 3Å; F105-T107 PolarHBondContact O-N 3.45Å | ||
| 106 | D | 44.4 | Very low | 51.6 | Low | 171 Ų | 171 | 112.7 Ų | 112.7 | 91% | 0.914 | 67% | 0.668 | S | S | * | * | trans | -70.6 | 50.9 | 152.6 | -69.7 | -54.7 | 0 | 0 | 0 | 110.5 | ||||
| 107 | T | 39 | Very low | 54.4 | Low | 97 Ų | 97 | 111.6 Ų | 111.6 | 60% | 0.595 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -116.3 | 124.6 | 166.4 | -64.8 | 0 | 0 | 0 | 0 | 105.7 | F105 S109 | F105-T107 PolarHBondContact O-N 3.45Å; T107-S109 PolarHBondContact O-N 2.7Å; T107-S109 VanDerWaalsContact O-N 3.09Å |
| 108 | M | 43.2 | Very low | 56.7 | Low | 184 Ų | 184 | 109.5 Ų | 109.5 | 91% | 0.906 | 64% | 0.639 | S | S | * | * | trans | -46.4 | 117.1 | -170 | -60 | 178.4 | -176.3 | 0 | 0 | 111.4 | P110 | M108-P110 WeakPolarHBondContact O-CD 3.4Š| ||
| 109 | S | 38.1 | Very low | 59.1 | Low | 105 Ų | 105 | 102.1 Ų | 102.1 | 73% | 0.734 | 61% | 0.614 | S | S | * | * | trans | -52.2 | 115.3 | 173.2 | -73.6 | 0 | 0 | 0 | 0 | 108.7 | T107 A111 | T107-S109 PolarHBondContact O-N 2.7Å; T107-S109 VanDerWaalsContact O-N 3.09Å; S109-A111 PolarHBondContact O-N 3.04Å | ||
| 110 | P | 55 | Low | 61.9 | Low | 92 Ų | 92 | 102.8 Ų | 102.8 | 60% | 0.597 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -62 | 133.8 | -172.2 | 23.3 | -33 | 0 | 0 | 0 | 109.7 | M108 | M108-P110 WeakPolarHBondContact O-CD 3.4Š|
| 111 | A | 59.7 | Low | 64.8 | Low | 65 Ų | 65 | 98.5 Ų | 98.5 | 54% | 0.537 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -54.4 | 140.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | S109 V113 | S109-A111 PolarHBondContact O-N 3.04Å; A111-V113 PolarHBondContact O-N 3.44Å; A111-V113 VanDerWaalsContact O-N 3.08Å |
| 112 | P | 67 | Low | 67.4 | Low | 106 Ų | 106 | 93.3 Ų | 93.3 | 69% | 0.688 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 119.1 | -173.7 | -29.4 | 36 | 0 | 0 | 0 | 112.8 | I114 | P112-I114 CarbonylContact O-C 3.46Å; P112-I114 VanDerWaalsContact O-C 3.27Å; P112-I114 PolarHBondContact O-N 3.11Å |
| 113 | V | 76.9 | Confident | 70.3 | Confident | 87 Ų | 87 | 92.1 Ų | 92.1 | 53% | 0.527 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -52.8 | -29.1 | -176.5 | 179.2 | 0 | 0 | 0 | 0 | 112.5 | A111 T230 R232 | A111-V113 PolarHBondContact O-N 3.44Å; A111-V113 VanDerWaalsContact O-N 3.08Å; V113-T230 HydrophobicContact CB-CG2 4.37Å; V113-T230 HydrophobicContact CG1-CG2 4.24Å; V113-T230 HydrophobicContact CG2-CG2 4.41Å; V113-R232 PolarHBondContact O-NE 3.14Å; V113-R232 VanDerWaalsContact O-NE 3.07Å; V113-R232 PolarHBondContact O-NH2 2.66Å |
| 114 | I | 84.4 | Confident | 73 | Confident | 89 Ų | 89 | 88.5 Ų | 88.5 | 46% | 0.456 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -103.6 | 107.6 | 166.7 | -59.6 | 173.2 | 0 | 0 | 0 | 107.8 | P112 V186 T187 | P112-I114 CarbonylContact O-C 3.46Å; P112-I114 VanDerWaalsContact O-C 3.27Å; P112-I114 PolarHBondContact O-N 3.11Å; I114-V186 HydrophobicContact CD1-CG1 3.92Å; I114-V186 HydrophobicContact CG1-CG1 4.21Å; I114-V186 HydrophobicContact CG2-CG1 4.1Å; I114-V186 HydrophobicContact CG2-CG2 3.94Å; I114-T187 HydrophobicContact CD1-CG2 4.48Å |
| 115 | P | 86.9 | Confident | 75.7 | Confident | 27 Ų | 27 | 87.3 Ų | 87.3 | 18% | 0.175 | 50% | 0.499 | C | S | . | . | trans | -69.6 | 135.6 | 176.3 | 30 | -35.8 | 0 | 0 | 0 | 110.1 | N117 M177 V179 I273 | P115-N117 PolarHBondContact O-N 3.44Å; P115-M177 HydrophobicContact CB-CE 3.57Å; P115-M177 HydrophobicContact CG-CE 3.67Å; P115-M177 HydrophobicContact CG-SD 4.36Å; P115-V179 HydrophobicContact CG-CG1 3.79Å; P115-I273 HydrophobicContact CB-CD1 4.38Å; P115-I273 HydrophobicContact CG-CD1 4.33Å | ||
| 116 | S | 89.4 | Confident | 78.3 | Confident | 60 Ų | 60 | 80.2 Ų | 80.2 | 42% | 0.42 | 47% | 0.468 | S | S | . | . | trans | -69.1 | 131.2 | 179.8 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | T118 R286 | S116-T118 PolarHBondContact OG-N 3.19Å; S116-T118 PolarHBondContact OG-OG1 2.92Å; S116-R286 PolarHBondContact O-NH1 3.37Å; S116-R286 PolarHBondContact OG-NH1 3.33Å | ||
| 117 | N | 90.8 | Very high | 80.8 | Confident | 75 Ų | 75 | 76.1 Ų | 76.1 | 40% | 0.401 | 44% | 0.444 | S | S | . | . | trans | -94.2 | 2.9 | 178.5 | 61.9 | -7.4 | 0 | 0 | 0 | 114 | P115 D119 L271 I273 S288 | P115-N117 PolarHBondContact O-N 3.44Å; N117-D119 PolarHBondContact O-N 3.3Å; N117-L271 HydrophobicContact CB-CD1 3.8Å; N117-L271 WeakPolarHBondContact ND2-CD1 3.46Å; N117-I273 HydrophobicContact CB-CD1 4.23Å; N117-S288 PolarHBondContact O-OG 2.85Å; N117-S288 VanDerWaalsContact O-OG 3.05Å | ||
| 118 | T | 94 | Very high | 83.6 | Confident | 88 Ų | 88 | 72.5 Ų | 72.5 | 54% | 0.54 | 42% | 0.421 | S | S | . | . | trans | -67.1 | 129.4 | 179.8 | -43 | 0 | 0 | 0 | 0 | 111.6 | S116 Y120 R286 | S116-T118 PolarHBondContact OG-N 3.19Å; S116-T118 PolarHBondContact OG-OG1 2.92Å; T118-Y120 PolarHBondContact O-N 3.03Å; T118-R286 VanDerWaalsContact O-CZ 3.28Å; T118-R286 PolarHBondContact O-NH1 2.95Å | ||
| 119 | D | 96.5 | Very high | 86.1 | Confident | 54 Ų | 54 | 66 Ų | 66 | 29% | 0.289 | 39% | 0.392 | S | S | . | . | trans | -60.4 | 129 | 172.1 | -68.9 | -27.6 | 0 | 0 | 0 | 109.9 | N117 K148 R287 S288 | N117-D119 PolarHBondContact O-N 3.3Å; D119-K148 IonicContact OD2-NZ 2.77Å; D119-K148 PolarHBondContact OD2-NZ 3.1Å; D119-R287 WeakPolarHBondContact OD1-CA 3.41Å; D119-S288 PolarHBondContact OD1-N 3.13Å; D119-S288 PolarHBondContact OD1-OG 3.21Å | ||
| 120 | Y | 97.6 | Very high | 88.9 | Confident | 101 Ų | 101 | 62.2 Ų | 62.2 | 40% | 0.396 | 36% | 0.362 | S | S | . | . | B | Isolated β-bridge | trans | -137.4 | 106.6 | 179.9 | 167.8 | -110.2 | 0 | 0 | 0 | 109.2 | T118 G122 R286 R287 | T118-Y120 PolarHBondContact O-N 3.03Å; Y120-G122 VanDerWaalsContact C-N 3.3Å; Y120-G122 VanDerWaalsContact CZ-CA 3.41Å; Y120-G122 PolarHBondContact O-N 3.34Å; Y120-R286 CarbonylContact C-O 3.56Å; Y120-R286 PolarHBondContact N-O 3.37Å; Y120-R286 PolarHBondContact O-N 3.42Å; Y120-R287 VanDerWaalsContact C-NH1 3.33Å; Y120-R287 PolarHBondContact O-NH1 2.94Å |
| 121 | P | 97.1 | Very high | 90.6 | Very high | 57 Ų | 57 | 63.6 Ų | 63.6 | 37% | 0.37 | 36% | 0.361 | S | S | . | . | trans | -62.1 | -36.3 | 179.6 | -20.6 | 31.2 | 0 | 0 | 0 | 113.2 | H125 F126 | P121-H125 PolarHBondContact O-N 3.15Å; P121-F126 WeakPolarHBondContact O-CB 3.3Å; P121-F126 PolarHBondContact O-N 3.09Å | ||
| 122 | G | 96.5 | Very high | 91.8 | Very high | 14 Ų | 14 | 69.9 Ų | 69.9 | 14% | 0.144 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | -177.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y120 H124 H125 L284 | Y120-G122 VanDerWaalsContact C-N 3.3Å; Y120-G122 VanDerWaalsContact CZ-CA 3.41Å; Y120-G122 PolarHBondContact O-N 3.34Å; G122-H124 PolarHBondContact O-N 2.88Å; G122-H125 PolarHBondContact O-N 2.84Å; G122-H125 VanDerWaalsContact O-N 3.15Å; G122-L284 WeakPolarHBondContact CA-O 3.35Å |
| 123 | P | 96.7 | Very high | 92.8 | Very high | 82 Ų | 82 | 65.8 Ų | 65.8 | 53% | 0.532 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -20.5 | -174.4 | 24.3 | -35.1 | 0 | 0 | 0 | 114.5 | L284 | P123-L284 WeakPolarHBondContact CD-O 3.47Š|
| 124 | H | 96.2 | Very high | 93.3 | Very high | 24 Ų | 24 | 65.2 Ų | 65.2 | 11% | 0.111 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 3.9 | 179.8 | -62.4 | -67 | 0 | 0 | 0 | 113.9 | G122 F126 V164 S165 T166 P167 L276 | G122-H124 PolarHBondContact O-N 2.88Å; H124-F126 VanDerWaalsContact C-N 3.29Å; H124-F126 PolarHBondContact O-N 3.26Å; H124-V164 HydrophobicContact CB-CB 4.31Å; H124-V164 HydrophobicContact CB-CG1 4.19Å; H124-V164 CarbonylContact O-C 3.56Å; H124-V164 WeakPolarHBondContact O-CA 3.38Å; H124-S165 PolarHBondContact O-N 3.04Å; H124-T166 PolarHBondContact ND1-O 3.21Å; H124-T166 VanDerWaalsContact ND1-O 3.14Å; H124-T166 PolarHBondContact ND1-OG1 3.44Å; H124-P167 PolarHBondContact CE1-O 2.75Å; H124-L276 HydrophobicContact CB-CD2 4.11Å |
| 125 | H | 96.8 | Very high | 93.5 | Very high | 107 Ų | 107 | 64.6 Ų | 64.6 | 50% | 0.495 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 51 | -173.7 | -66 | -103.8 | 0 | 0 | 0 | 111.7 | P121 G122 E127 S165 | P121-H125 PolarHBondContact O-N 3.15Å; G122-H125 PolarHBondContact O-N 2.84Å; G122-H125 VanDerWaalsContact O-N 3.15Å; H125-E127 PolarHBondContact O-N 3.12Å; H125-S165 WeakPolarHBondContact CB-OG 3.35Å |
| 126 | F | 98 | Very high | 93.7 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 36% | 0.361 | C | S | . | . | trans | -62.4 | 122.4 | -176.4 | 177.7 | -105.1 | 0 | 0 | 0 | 111.9 | P121 H124 V128 I162 V164 I174 I274 L276 R287 | P121-F126 WeakPolarHBondContact O-CB 3.3Å; P121-F126 PolarHBondContact O-N 3.09Å; H124-F126 VanDerWaalsContact C-N 3.29Å; H124-F126 PolarHBondContact O-N 3.26Å; F126-V128 HydrophobicContact CE1-CG2 3.85Å; F126-V128 HydrophobicContact CZ-CG2 3.88Å; F126-I162 HydrophobicContact CD2-CG2 4.32Å; F126-I162 HydrophobicContact CE2-CG2 3.59Å; F126-I162 HydrophobicContact CZ-CD1 4.47Å; F126-I162 HydrophobicContact CZ-CG2 4.41Å; F126-V164 HydrophobicContact CD2-CG1 4.04Å; F126-I174 HydrophobicContact CE2-CD1 3.72Å; F126-I174 HydrophobicContact CZ-CD1 4.24Å; F126-I274 HydrophobicContact CE1-CG2 4.39Å; F126-I274 HydrophobicContact CZ-CG2 3.88Å; F126-L276 HydrophobicContact CB-CD2 4.3Å; F126-L276 HydrophobicContact CD1-CB 4.44Å; F126-L276 HydrophobicContact CD2-CB 3.57Å; F126-L276 HydrophobicContact CD2-CD1 4.28Å; F126-L276 HydrophobicContact CD2-CD2 3.98Å; F126-L276 HydrophobicContact CD2-CG 4.16Å; F126-L276 HydrophobicContact CE2-CB 3.74Å; F126-L276 HydrophobicContact CE2-CD1 4.32Å; F126-L276 HydrophobicContact CE2-CG 4.49Å; F126-L276 HydrophobicContact CG-CB 3.93Å; F126-L276 HydrophobicContact CG-CD2 4.41Å; F126-L276 HydrophobicContact CZ-CB 4.26Å; F126-R287 HydrophobicContact CD1-CG 4.15Å; F126-R287 HydrophobicContact CE1-CB 4.31Å; F126-R287 HydrophobicContact CE1-CG 4.25Å; F126-R287 PolarHBondContact O-NE 3.4Å; F126-R287 PolarHBondContact O-NH1 3.41Å; F126-R287 VanDerWaalsContact O-NH1 3.12Å; F126-R287 PolarHBondContact O-NH2 3.24Å | ||
| 127 | E | 97.3 | Very high | 93.6 | Very high | 85 Ų | 85 | 71.6 Ų | 71.6 | 40% | 0.397 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 149.4 | -179 | -74.7 | -174.6 | 168.8 | 0 | 0 | 112.2 | H125 K163 | H125-E127 PolarHBondContact O-N 3.12Å; E127-K163 HydrophobicContact CB-CB 4.31Å; E127-K163 PolarHBondContact N-O 3.27Å; E127-K163 PolarHBondContact O-N 3.03Å |
| 128 | V | 97.8 | Very high | 93.6 | Very high | 20 Ų | 20 | 73 Ų | 73 | 12% | 0.121 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 112.4 | 176.9 | 172.7 | 0 | 0 | 0 | 0 | 106.7 | F126 F130 I160 Q161 I162 I274 R287 F289 | F126-V128 HydrophobicContact CE1-CG2 3.85Å; F126-V128 HydrophobicContact CZ-CG2 3.88Å; V128-F130 HydrophobicContact CG1-CE2 4.12Å; V128-F130 HydrophobicContact CG1-CZ 4.18Å; V128-I160 HydrophobicContact CG1-CG2 3.47Å; V128-I160 VanDerWaalsContact CG1-CG2 3.47Å; V128-Q161 WeakPolarHBondContact CA-O 3.35Å; V128-I162 HydrophobicContact CG2-CD1 4.08Å; V128-I274 HydrophobicContact CG1-CD1 4.21Å; V128-I274 HydrophobicContact CG2-CB 4.22Å; V128-I274 HydrophobicContact CG2-CD1 4.3Å; V128-I274 HydrophobicContact CG2-CG2 4.37Å; V128-R287 HydrophobicContact CB-CB 3.99Å; V128-R287 HydrophobicContact CB-CG 4.19Å; V128-R287 HydrophobicContact CG2-CB 3.7Å; V128-R287 HydrophobicContact CG2-CG 4.02Å; V128-F289 HydrophobicContact CG1-CE1 4.29Å |
| 129 | T | 96.4 | Very high | 93.6 | Very high | 48 Ų | 48 | 69.4 Ų | 69.4 | 29% | 0.294 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 162.4 | -180 | 61.4 | 0 | 0 | 0 | 0 | 111.2 | Q161 | T129-Q161 PolarHBondContact N-O 3.12Å; T129-Q161 WeakPolarHBondContact O-CB 3.32Å; T129-Q161 PolarHBondContact O-N 2.87Å; T129-Q161 VanDerWaalsContact OG1-CB 3.22Å; T129-Q161 WeakPolarHBondContact OG1-CB 3.13Å; T129-Q161 PolarHBondContact OG1-OE1 3.32Å |
| 130 | F | 95.7 | Very high | 93.6 | Very high | 26 Ų | 26 | 69.3 Ų | 69.3 | 11% | 0.114 | 38% | 0.377 | C | S | . | . | trans | -129.5 | 129.6 | -179.9 | -61.3 | -93.5 | 0 | 0 | 0 | 107.9 | V128 Y143 L150 I160 F289 | V128-F130 HydrophobicContact CG1-CE2 4.12Å; V128-F130 HydrophobicContact CG1-CZ 4.18Å; F130-Y143 HydrophobicContact CB-CD1 3.9Å; F130-Y143 HydrophobicContact CB-CG 3.82Å; F130-Y143 HydrophobicContact CD1-CD2 4.1Å; F130-Y143 HydrophobicContact CD1-CG 4.12Å; F130-Y143 AromaticContact CD2-CD1 3.56Å; F130-Y143 HydrophobicContact CD2-CD1 3.56Å; F130-Y143 AromaticContact CD2-CD2 3.53Å; F130-Y143 HydrophobicContact CD2-CD2 3.53Å; F130-Y143 AromaticContact CD2-CE1 3.62Å; F130-Y143 HydrophobicContact CD2-CE1 3.62Å; F130-Y143 AromaticContact CD2-CE2 3.62Å; F130-Y143 HydrophobicContact CD2-CE2 3.62Å; F130-Y143 AromaticContact CD2-CG 3.49Å; F130-Y143 HydrophobicContact CD2-CG 3.49Å; F130-Y143 VanDerWaalsContact CD2-CG 3.49Å; F130-Y143 AromaticContact CD2-CZ 3.65Å; F130-Y143 HydrophobicContact CE1-CD2 4.11Å; F130-Y143 HydrophobicContact CE2-CD1 4.31Å; F130-Y143 AromaticContact CE2-CD2 3.56Å; F130-Y143 HydrophobicContact CE2-CD2 3.56Å; F130-Y143 HydrophobicContact CE2-CE1 4.11Å; F130-Y143 AromaticContact CE2-CE2 3.33Å; F130-Y143 HydrophobicContact CE2-CE2 3.33Å; F130-Y143 HydrophobicContact CE2-CG 4.05Å; F130-Y143 AromaticContact CE2-CZ 3.62Å; F130-Y143 AromaticContact CG-CD1 3.88Å; F130-Y143 HydrophobicContact CG-CD1 3.88Å; F130-Y143 AromaticContact CG-CD2 3.81Å; F130-Y143 HydrophobicContact CG-CD2 3.81Å; F130-Y143 HydrophobicContact CG-CE1 4.41Å; F130-Y143 HydrophobicContact CG-CE2 4.37Å; F130-Y143 AromaticContact CG-CG 3.54Å; F130-Y143 HydrophobicContact CG-CG 3.54Å; F130-Y143 AromaticContact CZ-CD2 3.86Å; F130-Y143 HydrophobicContact CZ-CD2 3.86Å; F130-Y143 AromaticContact CZ-CE2 3.87Å; F130-Y143 HydrophobicContact CZ-CE2 3.87Å; F130-L150 HydrophobicContact CD1-CD1 4.14Å; F130-L150 HydrophobicContact CE1-CB 4.45Å; F130-L150 HydrophobicContact CE1-CD1 4Å; F130-L150 HydrophobicContact CE1-CD2 4.19Å; F130-L150 HydrophobicContact CE1-CG 4.45Å; F130-I160 HydrophobicContact CD1-CG1 4.26Å; F130-I160 HydrophobicContact CE1-CD1 3.83Å; F130-I160 HydrophobicContact CE1-CG1 3.79Å; F130-I160 HydrophobicContact CE1-CG2 4.21Å; F130-I160 HydrophobicContact CZ-CD1 4.41Å; F130-I160 HydrophobicContact CZ-CG2 4.44Å; F130-F289 HydrophobicContact CE1-CE2 4.47Å; F130-F289 HydrophobicContact CE1-CZ 4.39Å; F130-F289 HydrophobicContact CE2-CD1 4.39Å; F130-F289 AromaticContact CZ-CD1 3.82Å; F130-F289 HydrophobicContact CZ-CD1 3.82Å; F130-F289 HydrophobicContact CZ-CD2 4.06Å; F130-F289 AromaticContact CZ-CE1 3.83Å; F130-F289 HydrophobicContact CZ-CE1 3.83Å; F130-F289 HydrophobicContact CZ-CE2 4.07Å; F130-F289 AromaticContact CZ-CG 3.94Å; F130-F289 HydrophobicContact CZ-CG 3.94Å; F130-F289 AromaticContact CZ-CZ 3.95Å; F130-F289 HydrophobicContact CZ-CZ 3.95Å | ||
| 131 | Q | 91.2 | Very high | 93.6 | Very high | 120 Ų | 120 | 66.1 Ų | 66.1 | 56% | 0.561 | 36% | 0.364 | S | S | * | . | trans | -59 | 145.3 | 174.5 | -173.3 | -179.7 | 11.6 | 0 | 0 | 110 | S133 W141 | Q131-S133 PolarHBondContact O-N 3.14Å; Q131-W141 HydrophobicContact CB-CH2 4.14Å; Q131-W141 VanDerWaalsContact O-CH2 3.26Å; Q131-W141 WeakPolarHBondContact O-CH2 3.49Å | ||
| 132 | Q | 85.6 | Confident | 93.6 | Very high | 197 Ų | 197 | 63.4 Ų | 63.4 | 92% | 0.921 | 35% | 0.347 | S | S | * | . | trans | -64.8 | 111.2 | -177.1 | -170.9 | 165.4 | 7 | 0 | 0 | 110.8 | ||||
| 133 | S | 86.3 | Confident | 93.7 | Very high | 20 Ų | 20 | 64.7 Ų | 64.7 | 14% | 0.14 | 35% | 0.348 | C | S | . | . | trans | -104.3 | 141.4 | -170.4 | 32.1 | 0 | 0 | 0 | 0 | 111.8 | Q131 W141 T142 Y143 | Q131-S133 PolarHBondContact O-N 3.14Å; S133-W141 VanDerWaalsContact OG-CZ3 3.31Å; S133-W141 WeakPolarHBondContact OG-CZ3 3.48Å; S133-T142 WeakPolarHBondContact OG-CA 3.38Å; S133-T142 PolarHBondContact OG-OG1 3.23Å; S133-Y143 PolarHBondContact OG-N 3.15Å | ||
| 134 | S | 87.3 | Confident | 93.7 | Very high | 75 Ų | 75 | 60.8 Ų | 60.8 | 52% | 0.524 | 32% | 0.322 | S | S | . | . | trans | -63.9 | 150 | 174.4 | -175.9 | 0 | 0 | 0 | 0 | 112 | A136 A139 | S134-A136 WeakPolarHBondContact OG-CB 3.42Å; S134-A136 PolarHBondContact OG-N 3.35Å; S134-A136 VanDerWaalsContact OG-N 3.16Å; S134-A139 VanDerWaalsContact O-CB 3.24Å; S134-A139 WeakPolarHBondContact O-CB 3.44Å | ||
| 135 | T | 89.5 | Confident | 93.7 | Very high | 77 Ų | 77 | 64 Ų | 64 | 47% | 0.472 | 35% | 0.345 | S | S | . | . | trans | -100.8 | 11.2 | 171.2 | 54.4 | 0 | 0 | 0 | 0 | 112.7 | G298 | T135-G298 WeakPolarHBondContact O-CA 3.38Š| ||
| 136 | A | 91.2 | Very high | 93.6 | Very high | 40 Ų | 40 | 62.8 Ų | 62.8 | 33% | 0.331 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -61.2 | 159.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S134 S138 A139 | S134-A136 WeakPolarHBondContact OG-CB 3.42Å; S134-A136 PolarHBondContact OG-N 3.35Å; S134-A136 VanDerWaalsContact OG-N 3.16Å; A136-S138 PolarHBondContact O-N 2.96Å; A136-S138 VanDerWaalsContact O-N 3.14Å; A136-A139 VanDerWaalsContact O-CB 3.26Å; A136-A139 WeakPolarHBondContact O-CB 3.39Å; A136-A139 PolarHBondContact O-N 3.23Å |
| 137 | K | 87 | Confident | 93.4 | Very high | 194 Ų | 194 | 64.6 Ų | 64.6 | 84% | 0.843 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -27.2 | 178.3 | -173 | -174.5 | 173.1 | -166.6 | 0 | 113.3 | ||
| 138 | S | 91.1 | Very high | 93.4 | Very high | 103 Ų | 103 | 65.9 Ų | 65.9 | 72% | 0.72 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -6.7 | 177.5 | 46.5 | 0 | 0 | 0 | 0 | 114.5 | A136 T140 | A136-S138 PolarHBondContact O-N 2.96Å; A136-S138 VanDerWaalsContact O-N 3.14Å; S138-T140 PolarHBondContact O-N 3.32Å; S138-T140 VanDerWaalsContact O-N 3.17Å |
| 139 | A | 94.1 | Very high | 93.4 | Very high | 13 Ų | 13 | 65.8 Ų | 65.8 | 11% | 0.107 | 35% | 0.353 | C | S | . | . | trans | -67.6 | 113.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111 | S134 A136 W141 P297 | S134-A139 VanDerWaalsContact O-CB 3.24Å; S134-A139 WeakPolarHBondContact O-CB 3.44Å; A136-A139 VanDerWaalsContact O-CB 3.26Å; A136-A139 WeakPolarHBondContact O-CB 3.39Å; A136-A139 PolarHBondContact O-N 3.23Å; A139-W141 PolarHBondContact O-N 3.3Å; A139-P297 WeakPolarHBondContact O-CD 3.14Å; A139-P297 WeakPolarHBondContact O-CG 3.48Å | ||
| 140 | T | 96.3 | Very high | 93.5 | Very high | 52 Ų | 52 | 63.6 Ų | 63.6 | 32% | 0.319 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -69.4 | -23.4 | 176.6 | 53.3 | 0 | 0 | 0 | 0 | 112.5 | S138 C152 Q153 K156 | S138-T140 PolarHBondContact O-N 3.32Å; S138-T140 VanDerWaalsContact O-N 3.17Å; T140-C152 CarbonylContact O-C 3.55Å; T140-C152 WeakPolarHBondContact O-CA 3.29Å; T140-Q153 PolarHBondContact O-N 3.07Å; T140-K156 HydrophobicContact CG2-CG 4.3Å |
| 141 | W | 97.6 | Very high | 93.6 | Very high | 34 Ų | 34 | 62.3 Ų | 62.3 | 13% | 0.129 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 156.8 | 171.2 | 65.6 | -87.1 | 0 | 0 | 0 | 111.1 | Q131 S133 A139 L150 Y151 C152 P159 | Q131-W141 HydrophobicContact CB-CH2 4.14Å; Q131-W141 VanDerWaalsContact O-CH2 3.26Å; Q131-W141 WeakPolarHBondContact O-CH2 3.49Å; S133-W141 VanDerWaalsContact OG-CZ3 3.31Å; S133-W141 WeakPolarHBondContact OG-CZ3 3.48Å; A139-W141 PolarHBondContact O-N 3.3Å; W141-L150 HydrophobicContact CE3-CD1 4.24Å; W141-Y151 CarbonylContact C-O 3.57Å; W141-Y151 WeakPolarHBondContact CA-O 3.36Å; W141-C152 HydrophobicContact CB-CB 4.09Å; W141-P159 HydrophobicContact CH2-CG 4.22Å; W141-P159 HydrophobicContact CZ2-CG 3.54Å |
| 142 | T | 97.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 144.7 | 167.3 | -174.3 | 0 | 0 | 0 | 0 | 111 | S133 Y151 P297 R301 | S133-T142 WeakPolarHBondContact OG-CA 3.38Å; S133-T142 PolarHBondContact OG-OG1 3.23Å; T142-Y151 PolarHBondContact N-O 3.46Å; T142-Y151 PolarHBondContact O-N 2.96Å; T142-P297 HydrophobicContact CG2-CB 3.94Å; T142-R301 HydrophobicContact CG2-CB 3.87Å; T142-R301 HydrophobicContact CG2-CG 4.29Å; T142-R301 PolarHBondContact OG1-NH1 3.37Å |
| 143 | Y | 97.9 | Very high | 94.5 | Very high | 42 Ų | 42 | 49.5 Ų | 49.5 | 17% | 0.165 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 136.2 | 175.6 | -179.2 | -107.6 | 0 | 0 | 0 | 111.2 | F130 S133 P145 K148 K149 L150 F289 R301 | F130-Y143 HydrophobicContact CB-CD1 3.9Å; F130-Y143 HydrophobicContact CB-CG 3.82Å; F130-Y143 HydrophobicContact CD1-CD2 4.1Å; F130-Y143 HydrophobicContact CD1-CG 4.12Å; F130-Y143 AromaticContact CD2-CD1 3.56Å; F130-Y143 HydrophobicContact CD2-CD1 3.56Å; F130-Y143 AromaticContact CD2-CD2 3.53Å; F130-Y143 HydrophobicContact CD2-CD2 3.53Å; F130-Y143 AromaticContact CD2-CE1 3.62Å; F130-Y143 HydrophobicContact CD2-CE1 3.62Å; F130-Y143 AromaticContact CD2-CE2 3.62Å; F130-Y143 HydrophobicContact CD2-CE2 3.62Å; F130-Y143 AromaticContact CD2-CG 3.49Å; F130-Y143 HydrophobicContact CD2-CG 3.49Å; F130-Y143 VanDerWaalsContact CD2-CG 3.49Å; F130-Y143 AromaticContact CD2-CZ 3.65Å; F130-Y143 HydrophobicContact CE1-CD2 4.11Å; F130-Y143 HydrophobicContact CE2-CD1 4.31Å; F130-Y143 AromaticContact CE2-CD2 3.56Å; F130-Y143 HydrophobicContact CE2-CD2 3.56Å; F130-Y143 HydrophobicContact CE2-CE1 4.11Å; F130-Y143 AromaticContact CE2-CE2 3.33Å; F130-Y143 HydrophobicContact CE2-CE2 3.33Å; F130-Y143 HydrophobicContact CE2-CG 4.05Å; F130-Y143 AromaticContact CE2-CZ 3.62Å; F130-Y143 AromaticContact CG-CD1 3.88Å; F130-Y143 HydrophobicContact CG-CD1 3.88Å; F130-Y143 AromaticContact CG-CD2 3.81Å; F130-Y143 HydrophobicContact CG-CD2 3.81Å; F130-Y143 HydrophobicContact CG-CE1 4.41Å; F130-Y143 HydrophobicContact CG-CE2 4.37Å; F130-Y143 AromaticContact CG-CG 3.54Å; F130-Y143 HydrophobicContact CG-CG 3.54Å; F130-Y143 AromaticContact CZ-CD2 3.86Å; F130-Y143 HydrophobicContact CZ-CD2 3.86Å; F130-Y143 AromaticContact CZ-CE2 3.87Å; F130-Y143 HydrophobicContact CZ-CE2 3.87Å; S133-Y143 PolarHBondContact OG-N 3.15Å; Y143-P145 HydrophobicContact CD1-CG 4.17Å; Y143-P145 HydrophobicContact CE1-CB 4.37Å; Y143-P145 HydrophobicContact CE1-CG 4.22Å; Y143-P145 WeakPolarHBondContact O-CD 3.44Å; Y143-K148 WeakPolarHBondContact OH-CA 3.49Å; Y143-K149 WeakPolarHBondContact CD2-O 3.38Å; Y143-L150 HydrophobicContact CD2-CB 4.26Å; Y143-F289 HydrophobicContact CE2-CB 4.35Å; Y143-R301 PolarHBondContact O-NH1 3.46Å |
| 144 | S | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 110.7 | 170.4 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | L146 L147 K148 K149 E305 | S144-L146 VanDerWaalsContact C-N 3.29Å; S144-L146 PolarHBondContact O-N 3.28Å; S144-L147 PolarHBondContact O-N 3.03Å; S144-L147 PolarHBondContact OG-N 3.13Å; S144-K148 WeakPolarHBondContact O-CA 3.4Å; S144-K148 PolarHBondContact O-N 3.02Å; S144-K148 VanDerWaalsContact O-N 3.09Å; S144-K149 PolarHBondContact N-O 3.13Å; S144-K149 PolarHBondContact O-N 3.13Å; S144-E305 VanDerWaalsContact CB-OE1 3.29Å; S144-E305 WeakPolarHBondContact CB-OE1 3.3Å; S144-E305 PolarHBondContact OG-OE1 3.45Å |
| 145 | P | 94.9 | Very high | 95.3 | Very high | 90 Ų | 90 | 47.4 Ų | 47.4 | 58% | 0.584 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -37.9 | 171 | -22.2 | 33.8 | 0 | 0 | 0 | 112.1 | Y143 L147 K148 | Y143-P145 HydrophobicContact CD1-CG 4.17Å; Y143-P145 HydrophobicContact CE1-CB 4.37Å; Y143-P145 HydrophobicContact CE1-CG 4.22Å; Y143-P145 WeakPolarHBondContact O-CD 3.44Å; P145-L147 VanDerWaalsContact C-N 3.26Å; P145-L147 PolarHBondContact O-N 3.47Å; P145-K148 PolarHBondContact O-N 2.93Å |
| 146 | L | 94.8 | Very high | 95.6 | Very high | 83 Ų | 83 | 48.7 Ų | 48.7 | 44% | 0.435 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -35.5 | -179 | -175.9 | 62.6 | 0 | 0 | 0 | 112.8 | S144 E305 Y308 | S144-L146 VanDerWaalsContact C-N 3.29Å; S144-L146 PolarHBondContact O-N 3.28Å; L146-E305 HydrophobicContact CD2-CG 4.28Å; L146-Y308 HydrophobicContact CD1-CD1 4.18Å; L146-Y308 HydrophobicContact CD1-CE1 3.8Å; L146-Y308 HydrophobicContact CD2-CD1 3.94Å; L146-Y308 HydrophobicContact CD2-CE1 4.42Å; L146-Y308 HydrophobicContact CG-CD1 3.85Å; L146-Y308 HydrophobicContact CG-CE1 3.92Å |
| 147 | L | 95.7 | Very high | 95.7 | Very high | 37 Ų | 37 | 49 Ų | 49 | 19% | 0.194 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 0.4 | -177.5 | -59.4 | 176 | 0 | 0 | 0 | 113.4 | S144 P145 K149 Y151 D304 E305 Y308 | S144-L147 PolarHBondContact O-N 3.03Å; S144-L147 PolarHBondContact OG-N 3.13Å; P145-L147 VanDerWaalsContact C-N 3.26Å; P145-L147 PolarHBondContact O-N 3.47Å; L147-K149 VanDerWaalsContact C-N 3.26Å; L147-K149 HydrophobicContact CB-CB 3.79Å; L147-K149 PolarHBondContact O-N 3.43Å; L147-Y151 VanDerWaalsContact CD1-OH 3.28Å; L147-Y151 WeakPolarHBondContact CD1-OH 3.33Å; L147-D304 HydrophobicContact CD1-CB 3.72Å; L147-E305 HydrophobicContact CD1-CG 3.75Å; L147-E305 HydrophobicContact CG-CG 4.18Å; L147-Y308 HydrophobicContact CD2-CD1 4Å; L147-Y308 HydrophobicContact CD2-CD2 3.88Å; L147-Y308 HydrophobicContact CD2-CG 3.59Å |
| 148 | K | 96.3 | Very high | 96.2 | Very high | 113 Ų | 113 | 39.8 Ų | 39.8 | 49% | 0.491 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 43.4 | 50.1 | -165.6 | -68.3 | -171.4 | 169.9 | -170.2 | 0 | 112.5 | D119 Y143 S144 P145 F289 E290 | D119-K148 IonicContact OD2-NZ 2.77Å; D119-K148 PolarHBondContact OD2-NZ 3.1Å; Y143-K148 WeakPolarHBondContact OH-CA 3.49Å; S144-K148 WeakPolarHBondContact O-CA 3.4Å; S144-K148 PolarHBondContact O-N 3.02Å; S144-K148 VanDerWaalsContact O-N 3.09Å; P145-K148 PolarHBondContact O-N 2.93Å; K148-F289 WeakPolarHBondContact O-CA 3.22Å; K148-F289 WeakPolarHBondContact O-CB 3.45Å; K148-E290 PolarHBondContact O-N 2.83Å |
| 149 | K | 97.9 | Very high | 96.5 | Very high | 18 Ų | 18 | 36 Ų | 36 | 8% | 0.078 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 125.5 | -163.5 | -174 | 164.7 | 171.5 | 174.3 | 0 | 114 | Y143 S144 L147 Y151 E290 D304 | Y143-K149 WeakPolarHBondContact CD2-O 3.38Å; S144-K149 PolarHBondContact N-O 3.13Å; S144-K149 PolarHBondContact O-N 3.13Å; L147-K149 VanDerWaalsContact C-N 3.26Å; L147-K149 HydrophobicContact CB-CB 3.79Å; L147-K149 PolarHBondContact O-N 3.43Å; K149-Y151 HydrophobicContact CB-CE2 3.93Å; K149-Y151 HydrophobicContact CD-CE1 4.37Å; K149-Y151 HydrophobicContact CD-CE2 4Å; K149-Y151 VanDerWaalsContact CD-OH 3.25Å; K149-Y151 WeakPolarHBondContact CD-OH 3.48Å; K149-Y151 WeakPolarHBondContact CE-OH 3.27Å; K149-Y151 HydrophobicContact CG-CD2 4.24Å; K149-Y151 HydrophobicContact CG-CE2 3.58Å; K149-E290 CarbonylContact C-O 3.6Å; K149-E290 WeakPolarHBondContact CA-O 3.03Å; K149-E290 HydrophobicContact CB-CB 4.13Å; K149-E290 HydrophobicContact CD-CB 4.09Å; K149-E290 HydrophobicContact CD-CG 3.94Å; K149-E290 WeakPolarHBondContact CD-OE1 3.35Å; K149-E290 WeakPolarHBondContact CE-OE1 3.43Å; K149-E290 HydrophobicContact CG-CB 3.87Å; K149-E290 HydrophobicContact CG-CG 4.1Å; K149-E290 IonicContact NZ-OE1 3.68Å; K149-E290 PolarHBondContact NZ-OE1 2.94Å; K149-D304 WeakPolarHBondContact CE-OD2 3.33Å; K149-D304 IonicContact NZ-OD2 2.77Å; K149-D304 PolarHBondContact NZ-OD2 3Å |
| 150 | L | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 131.3 | 173.1 | -178.2 | 65.7 | 0 | 0 | 0 | 110.5 | F130 W141 Y143 I160 F255 F289 E290 R292 | F130-L150 HydrophobicContact CD1-CD1 4.14Å; F130-L150 HydrophobicContact CE1-CB 4.45Å; F130-L150 HydrophobicContact CE1-CD1 4Å; F130-L150 HydrophobicContact CE1-CD2 4.19Å; F130-L150 HydrophobicContact CE1-CG 4.45Å; W141-L150 HydrophobicContact CE3-CD1 4.24Å; Y143-L150 HydrophobicContact CD2-CB 4.26Å; L150-I160 HydrophobicContact CD2-CD1 4.32Å; L150-F255 HydrophobicContact CD2-CE2 3.85Å; L150-F255 HydrophobicContact CD2-CZ 4.1Å; L150-F289 HydrophobicContact CB-CD2 3.82Å; L150-F289 HydrophobicContact CB-CE2 3.82Å; L150-F289 HydrophobicContact CD2-CE2 3.8Å; L150-F289 HydrophobicContact CD2-CZ 4.45Å; L150-F289 HydrophobicContact CG-CE2 4.47Å; L150-E290 PolarHBondContact N-O 2.91Å; L150-R292 PolarHBondContact O-N 3.24Å |
| 151 | Y | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 129.3 | 171.3 | -58.4 | -105.7 | 0 | 0 | 0 | 107.7 | W141 T142 L147 K149 R292 D300 R301 D304 | W141-Y151 CarbonylContact C-O 3.57Å; W141-Y151 WeakPolarHBondContact CA-O 3.36Å; T142-Y151 PolarHBondContact N-O 3.46Å; T142-Y151 PolarHBondContact O-N 2.96Å; L147-Y151 VanDerWaalsContact CD1-OH 3.28Å; L147-Y151 WeakPolarHBondContact CD1-OH 3.33Å; K149-Y151 HydrophobicContact CB-CE2 3.93Å; K149-Y151 HydrophobicContact CD-CE1 4.37Å; K149-Y151 HydrophobicContact CD-CE2 4Å; K149-Y151 VanDerWaalsContact CD-OH 3.25Å; K149-Y151 WeakPolarHBondContact CD-OH 3.48Å; K149-Y151 WeakPolarHBondContact CE-OH 3.27Å; K149-Y151 HydrophobicContact CG-CD2 4.24Å; K149-Y151 HydrophobicContact CG-CE2 3.58Å; Y151-R292 WeakPolarHBondContact CA-O 3.25Å; Y151-R292 HydrophobicContact CD1-CB 4.05Å; Y151-R292 HydrophobicContact CD1-CG 4.13Å; Y151-R292 HydrophobicContact CE1-CB 4.36Å; Y151-R292 HydrophobicContact CE1-CG 4.41Å; Y151-D300 HydrophobicContact CD1-CB 3.95Å; Y151-D300 HydrophobicContact CE1-CB 4.21Å; Y151-R301 HydrophobicContact CD1-CB 4.15Å; Y151-R301 HydrophobicContact CD2-CB 3.71Å; Y151-R301 HydrophobicContact CD2-CG 4.05Å; Y151-R301 HydrophobicContact CE1-CB 4.18Å; Y151-R301 HydrophobicContact CE2-CB 3.78Å; Y151-R301 HydrophobicContact CE2-CG 3.86Å; Y151-R301 HydrophobicContact CG-CB 3.94Å; Y151-D304 HydrophobicContact CE1-CB 4.47Å; Y151-D304 WeakPolarHBondContact CE1-OD2 3.43Å; Y151-D304 WeakPolarHBondContact OH-CB 2.92Å; Y151-D304 PolarHBondContact OH-OD2 2.67Å |
| 152 | C | 97.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 155.6 | -176.1 | 54.8 | 0 | 0 | 0 | 0 | 112.3 | T140 W141 C158 R292 I293 C294 | T140-C152 CarbonylContact O-C 3.55Å; T140-C152 WeakPolarHBondContact O-CA 3.29Å; W141-C152 HydrophobicContact CB-CB 4.09Å; C152-C158 WeakPolarHBondContact CB-SG 3.41Å; C152-R292 PolarHBondContact N-O 2.94Å; C152-I293 CarbonylContact O-C 3.44Å; C152-I293 VanDerWaalsContact O-CA 3.23Å; C152-I293 WeakPolarHBondContact O-CA 3.36Å; C152-C294 PolarHBondContact O-N 2.85Å; C152-C294 VanDerWaalsContact O-O 3.05Å |
| 153 | Q | 97.6 | Very high | 96.7 | Very high | 47 Ų | 47 | 35 Ų | 35 | 22% | 0.22 | 18% | 0.179 | C | C | . | . | trans | -81.5 | 150.2 | 170.1 | -72.7 | -178.9 | -23 | 0 | 0 | 111 | T140 A155 K156 C294 A295 P297 | T140-Q153 PolarHBondContact O-N 3.07Å; Q153-A155 PolarHBondContact O-N 3.43Å; Q153-K156 HydrophobicContact CB-CB 4.11Å; Q153-K156 HydrophobicContact CB-CG 3.74Å; Q153-K156 PolarHBondContact O-N 3Å; Q153-C294 WeakPolarHBondContact CA-O 3.42Å; Q153-A295 PolarHBondContact NE2-O 2.84Å; Q153-P297 HydrophobicContact CG-CG 3.94Å | ||
| 154 | I | 95.8 | Very high | 96.6 | Very high | 28 Ų | 28 | 33.9 Ų | 33.9 | 14% | 0.144 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 135.9 | 174.7 | -173.2 | 173.5 | 0 | 0 | 0 | 111.3 | K156 H196 F202 F255 I293 | I154-K156 PolarHBondContact O-N 3.21Å; I154-H196 WeakPolarHBondContact CD1-NE2 3.49Å; I154-F202 HydrophobicContact CD1-CD2 4.48Å; I154-F202 HydrophobicContact CD1-CE2 4.15Å; I154-F255 WeakPolarHBondContact CA-O 3.4Å; I154-I293 HydrophobicContact CB-CG2 4.08Å |
| 155 | A | 94.3 | Very high | 96.5 | Very high | 22 Ų | 22 | 37.9 Ų | 37.9 | 18% | 0.182 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 8.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q153 F202 N254 F255 M256 | Q153-A155 PolarHBondContact O-N 3.43Å; A155-F202 HydrophobicContact CB-CD1 3.45Å; A155-F202 VanDerWaalsContact CB-CD1 3.45Å; A155-F202 HydrophobicContact CB-CE1 3.74Å; A155-F202 HydrophobicContact CB-CG 4.24Å; A155-N254 PolarHBondContact O-ND2 2.76Å; A155-F255 PolarHBondContact N-O 3.17Å; A155-M256 HydrophobicContact CB-CE 3.8Å; A155-M256 HydrophobicContact CB-SD 4.11Å |
| 156 | K | 94.9 | Very high | 96.5 | Very high | 105 Ų | 105 | 36.8 Ų | 36.8 | 46% | 0.457 | 20% | 0.196 | S | C | . | . | trans | -89.4 | 139.5 | 175.7 | -64.6 | -52.6 | -174.8 | -174.5 | 0 | 112 | T140 Q153 I154 C158 | T140-K156 HydrophobicContact CG2-CG 4.3Å; Q153-K156 HydrophobicContact CB-CB 4.11Å; Q153-K156 HydrophobicContact CB-CG 3.74Å; Q153-K156 PolarHBondContact O-N 3Å; I154-K156 PolarHBondContact O-N 3.21Å; K156-C158 PolarHBondContact O-N 2.65Å; K156-C158 PolarHBondContact O-SG 2.65Å; K156-C158 VanDerWaalsContact O-SG 3.32Å | ||
| 157 | T | 95.1 | Very high | 96.5 | Very high | 47 Ų | 47 | 38.2 Ų | 38.2 | 29% | 0.288 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 125.2 | -179.7 | -32 | 0 | 0 | 0 | 0 | 111 | E217 L252 N254 | T157-E217 WeakPolarHBondContact CB-OE2 3.33Å; T157-E217 HydrophobicContact CG2-CB 4.49Å; T157-E217 WeakPolarHBondContact CG2-OE2 3.48Å; T157-E217 PolarHBondContact OG1-OE2 2.96Å; T157-L252 HydrophobicContact CG2-CB 3.73Å; T157-L252 HydrophobicContact CG2-CD1 4.22Å; T157-L252 HydrophobicContact CG2-CD2 4.09Å; T157-L252 HydrophobicContact CG2-CG 4.22Å; T157-N254 PolarHBondContact N-ND2 2.8Å |
| 158 | C | 96.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 102.6 | 178.5 | -60.6 | 0 | 0 | 0 | 0 | 108.1 | C152 K156 I160 Y253 F255 | C152-C158 WeakPolarHBondContact CB-SG 3.41Å; K156-C158 PolarHBondContact O-N 2.65Å; K156-C158 PolarHBondContact O-SG 2.65Å; K156-C158 VanDerWaalsContact O-SG 3.32Å; C158-I160 PolarHBondContact O-N 3.35Å; C158-Y253 WeakPolarHBondContact CA-O 3.21Å; C158-Y253 VanDerWaalsContact CB-O 3.3Å; C158-Y253 WeakPolarHBondContact CB-O 3.35Å; C158-Y253 PolarHBondContact N-O 2.65Å; C158-Y253 PolarHBondContact O-N 3.37Å; C158-F255 HydrophobicContact CB-CE2 4.36Å |
| 159 | P | 96.6 | Very high | 96.4 | Very high | 24 Ų | 24 | 34.8 Ų | 34.8 | 16% | 0.156 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 120.3 | 175.7 | 28.6 | -32.7 | 0 | 0 | 0 | 109.8 | W141 T250 L252 | W141-P159 HydrophobicContact CH2-CG 4.22Å; W141-P159 HydrophobicContact CZ2-CG 3.54Å; P159-T250 HydrophobicContact CB-CG2 3.61Å; P159-L252 HydrophobicContact CB-CD2 3.93Å |
| 160 | I | 97.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 127.6 | 173.8 | -57.4 | -171.8 | 0 | 0 | 0 | 107.7 | V128 F130 L150 C158 T250 I251 Y253 I274 F289 | V128-I160 HydrophobicContact CG1-CG2 3.47Å; V128-I160 VanDerWaalsContact CG1-CG2 3.47Å; F130-I160 HydrophobicContact CD1-CG1 4.26Å; F130-I160 HydrophobicContact CE1-CD1 3.83Å; F130-I160 HydrophobicContact CE1-CG1 3.79Å; F130-I160 HydrophobicContact CE1-CG2 4.21Å; F130-I160 HydrophobicContact CZ-CD1 4.41Å; F130-I160 HydrophobicContact CZ-CG2 4.44Å; L150-I160 HydrophobicContact CD2-CD1 4.32Å; C158-I160 PolarHBondContact O-N 3.35Å; I160-T250 WeakPolarHBondContact O-CA 3.44Å; I160-I251 PolarHBondContact N-O 3.42Å; I160-I251 PolarHBondContact O-N 2.99Å; I160-Y253 HydrophobicContact CB-CD2 3.86Å; I160-Y253 HydrophobicContact CB-CE2 4.05Å; I160-Y253 HydrophobicContact CD1-CD2 3.64Å; I160-Y253 HydrophobicContact CD1-CE2 4.2Å; I160-Y253 HydrophobicContact CD1-CG 4.38Å; I160-Y253 HydrophobicContact CG1-CD2 3.81Å; I160-Y253 HydrophobicContact CG1-CE2 4.43Å; I160-I274 HydrophobicContact CG2-CD1 4.21Å; I160-F289 HydrophobicContact CD1-CE1 4.34Å; I160-F289 HydrophobicContact CD1-CZ 3.69Å |
| 161 | Q | 97.4 | Very high | 96.1 | Very high | 24 Ų | 24 | 43.3 Ų | 43.3 | 11% | 0.112 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 132.2 | -177.2 | -65.2 | 169 | -33.9 | 0 | 0 | 109.5 | V128 T129 F248 | V128-Q161 WeakPolarHBondContact CA-O 3.35Å; T129-Q161 PolarHBondContact N-O 3.12Å; T129-Q161 WeakPolarHBondContact O-CB 3.32Å; T129-Q161 PolarHBondContact O-N 2.87Å; T129-Q161 VanDerWaalsContact OG1-CB 3.22Å; T129-Q161 WeakPolarHBondContact OG1-CB 3.13Å; T129-Q161 PolarHBondContact OG1-OE1 3.32Å; Q161-F248 HydrophobicContact CB-CB 4.23Å; Q161-F248 HydrophobicContact CB-CD2 4.01Å; Q161-F248 HydrophobicContact CB-CG 4.15Å; Q161-F248 HydrophobicContact CG-CD2 3.67Å; Q161-F248 HydrophobicContact CG-CE2 3.93Å; Q161-F248 HydrophobicContact CG-CG 4.19Å; Q161-F248 VanDerWaalsContact NE2-CE2 3.26Å |
| 162 | I | 97.8 | Very high | 96 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 121.6 | 176.8 | -54.9 | -56.7 | 0 | 0 | 0 | 107.9 | F126 V128 I174 F248 T249 I251 I274 | F126-I162 HydrophobicContact CD2-CG2 4.32Å; F126-I162 HydrophobicContact CE2-CG2 3.59Å; F126-I162 HydrophobicContact CZ-CD1 4.47Å; F126-I162 HydrophobicContact CZ-CG2 4.41Å; V128-I162 HydrophobicContact CG2-CD1 4.08Å; I162-I174 HydrophobicContact CD1-CG2 4.37Å; I162-I174 HydrophobicContact CG2-CD1 3.86Å; I162-I174 HydrophobicContact CG2-CG1 4.49Å; I162-F248 VanDerWaalsContact O-CA 3.24Å; I162-F248 WeakPolarHBondContact O-CA 3.48Å; I162-F248 WeakPolarHBondContact O-CB 3.41Å; I162-T249 PolarHBondContact N-O 3.3Å; I162-T249 PolarHBondContact O-N 3.29Å; I162-I251 HydrophobicContact CG1-CD1 3.92Å; I162-I251 HydrophobicContact CG1-CG1 4.22Å; I162-I274 HydrophobicContact CD1-CG2 4.38Å |
| 163 | K | 96.9 | Very high | 96 | Very high | 49 Ų | 49 | 44.2 Ų | 44.2 | 21% | 0.213 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 142.4 | 177.6 | -175.6 | 165.5 | -174.1 | 175.7 | 0 | 110.6 | E127 E247 F248 | E127-K163 HydrophobicContact CB-CB 4.31Å; E127-K163 PolarHBondContact N-O 3.27Å; E127-K163 PolarHBondContact O-N 3.03Å; K163-E247 HydrophobicContact CD-CB 4.4Å; K163-E247 IonicContact NZ-OE1 2.65Å; K163-E247 PolarHBondContact NZ-OE1 2.97Å; K163-E247 IonicContact NZ-OE2 2.65Å; K163-E247 PolarHBondContact NZ-OE2 3.12Å; K163-F248 HydrophobicContact CB-CB 4.44Å |
| 164 | V | 96.9 | Very high | 96 | Very high | 18 Ų | 18 | 42 Ų | 42 | 11% | 0.109 | 27% | 0.266 | C | S | . | . | trans | -139.1 | 146.2 | 171.9 | -69.5 | 0 | 0 | 0 | 0 | 108.4 | H124 F126 Y239 L276 | H124-V164 HydrophobicContact CB-CB 4.31Å; H124-V164 HydrophobicContact CB-CG1 4.19Å; H124-V164 CarbonylContact O-C 3.56Å; H124-V164 WeakPolarHBondContact O-CA 3.38Å; F126-V164 HydrophobicContact CD2-CG1 4.04Å; V164-Y239 HydrophobicContact CG2-CE2 4.27Å; V164-Y239 WeakPolarHBondContact CG2-OH 3.27Å; V164-L276 HydrophobicContact CG1-CD2 4.14Å | ||
| 165 | S | 95.2 | Very high | 96.1 | Very high | 85 Ų | 85 | 43.4 Ų | 43.4 | 59% | 0.594 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -85.6 | -19.9 | 177.5 | -59 | 0 | 0 | 0 | 0 | 113.4 | H124 H125 | H124-S165 PolarHBondContact O-N 3.04Å; H125-S165 WeakPolarHBondContact CB-OG 3.35Å |
| 166 | T | 94.7 | Very high | 96.3 | Very high | 66 Ų | 66 | 42.3 Ų | 42.3 | 41% | 0.405 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -137.7 | 141.9 | 176.1 | 56.4 | 0 | 0 | 0 | 0 | 109.9 | H124 | H124-T166 PolarHBondContact ND1-O 3.21Å; H124-T166 VanDerWaalsContact ND1-O 3.14Å; H124-T166 PolarHBondContact ND1-OG1 3.44Å |
| 167 | P | 93.9 | Very high | 96.4 | Very high | 114 Ų | 114 | 38.8 Ų | 38.8 | 74% | 0.74 | 25% | 0.246 | S | C | * | . | P | Polyproline II helix | trans | -58.4 | 130.4 | 177.2 | -25.5 | 35.1 | 0 | 0 | 0 | 111.9 | H124 | H124-P167 PolarHBondContact CE1-O 2.75Š|
| 168 | P | 95.7 | Very high | 96.6 | Very high | 14 Ų | 14 | 37 Ų | 37 | 9% | 0.091 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -76.4 | 166.3 | 174.3 | 33.7 | -36.7 | 0 | 0 | 0 | 111.9 | T172 Y239 L276 L284 | P168-T172 HydrophobicContact CB-CG2 3.93Å; P168-T172 HydrophobicContact CG-CG2 4.05Å; P168-Y239 VanDerWaalsContact CD-CE1 3.46Å; P168-Y239 HydrophobicContact CG-CD1 3.49Å; P168-Y239 VanDerWaalsContact CG-CD1 3.49Å; P168-Y239 HydrophobicContact CG-CD2 4.47Å; P168-Y239 HydrophobicContact CG-CE1 3.5Å; P168-Y239 VanDerWaalsContact CG-CE1 3.5Å; P168-Y239 HydrophobicContact CG-CE2 4.46Å; P168-Y239 HydrophobicContact CG-CG 4.01Å; P168-L276 HydrophobicContact CB-CD2 4.33Å; P168-L276 HydrophobicContact CG-CD1 4.4Å; P168-L284 HydrophobicContact CB-CD1 4.33Å |
| 169 | P | 95.4 | Very high | 96.6 | Very high | 64 Ų | 64 | 37.1 Ų | 37.1 | 42% | 0.416 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -56.4 | 148 | 178 | -25.9 | 35.4 | 0 | 0 | 0 | 113.4 | T172 L284 | P169-T172 VanDerWaalsContact O-CB 3.3Å; P169-T172 WeakPolarHBondContact O-CB 3.34Å; P169-T172 PolarHBondContact O-N 3.46Å; P169-T172 PolarHBondContact O-OG1 3.35Å; P169-L284 HydrophobicContact CG-CD1 4.45Å |
| 170 | P | 94.8 | Very high | 96.6 | Very high | 139 Ų | 139 | 36.5 Ų | 36.5 | 90% | 0.903 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 139.7 | 174.4 | -25.8 | 35 | 0 | 0 | 0 | 112.5 | T172 | P170-T172 VanDerWaalsContact C-N 3.32Š|
| 171 | G | 93.4 | Very high | 96.5 | Very high | 58 Ų | 58 | 41.3 Ų | 41.3 | 60% | 0.598 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 9.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 172 | T | 97.3 | Very high | 96.3 | Very high | 6 Ų | 6 | 44.8 Ų | 44.8 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | trans | -63.7 | 148.7 | 164.5 | -63.1 | 0 | 0 | 0 | 0 | 110.7 | P168 P169 P170 Y239 L276 E277 L284 | P168-T172 HydrophobicContact CB-CG2 3.93Å; P168-T172 HydrophobicContact CG-CG2 4.05Å; P169-T172 VanDerWaalsContact O-CB 3.3Å; P169-T172 WeakPolarHBondContact O-CB 3.34Å; P169-T172 PolarHBondContact O-N 3.46Å; P169-T172 PolarHBondContact O-OG1 3.35Å; P170-T172 VanDerWaalsContact C-N 3.32Å; T172-Y239 WeakPolarHBondContact O-CB 3.46Å; T172-Y239 PolarHBondContact O-N 3.04Å; T172-L276 HydrophobicContact CG2-CD1 3.39Å; T172-L276 HydrophobicContact CG2-CG 3.72Å; T172-E277 CarbonylContact C-O 3.57Å; T172-E277 WeakPolarHBondContact CA-O 3.34Å; T172-E277 WeakPolarHBondContact CG2-O 3.47Å; T172-L284 HydrophobicContact CG2-CD1 4.14Å | ||
| 173 | A | 97.6 | Very high | 95.9 | Very high | 14 Ų | 14 | 48.8 Ų | 48.8 | 12% | 0.116 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 163.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V236 V237 L276 E277 | A173-V236 HydrophobicContact CB-CG1 3.65Å; A173-V237 CarbonylContact C-O 3.59Å; A173-V237 WeakPolarHBondContact CA-O 3.28Å; A173-L276 WeakPolarHBondContact O-CA 3.39Å; A173-E277 PolarHBondContact N-O 3.11Å; A173-E277 PolarHBondContact O-N 2.89Å |
| 174 | I | 98.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 117.3 | 170.6 | -57.1 | -63.8 | 0 | 0 | 0 | 108.6 | F126 I162 V236 V237 Y239 I251 I274 T275 L276 | F126-I174 HydrophobicContact CE2-CD1 3.72Å; F126-I174 HydrophobicContact CZ-CD1 4.24Å; I162-I174 HydrophobicContact CD1-CG2 4.37Å; I162-I174 HydrophobicContact CG2-CD1 3.86Å; I162-I174 HydrophobicContact CG2-CG1 4.49Å; I174-V236 CarbonylContact O-C 3.53Å; I174-V236 WeakPolarHBondContact O-CA 3.25Å; I174-V237 PolarHBondContact N-O 3.28Å; I174-V237 PolarHBondContact O-N 2.86Å; I174-Y239 HydrophobicContact CD1-CD2 4.22Å; I174-Y239 HydrophobicContact CG1-CD2 4.36Å; I174-I251 HydrophobicContact CB-CD1 3.92Å; I174-I251 HydrophobicContact CG1-CD1 4.11Å; I174-I251 HydrophobicContact CG2-CD1 3.74Å; I174-I274 HydrophobicContact CG2-CG2 3.59Å; I174-T275 CarbonylContact C-O 3.55Å; I174-T275 WeakPolarHBondContact CA-O 3.39Å; I174-L276 HydrophobicContact CD1-CB 4.36Å; I174-L276 HydrophobicContact CD1-CD1 3.48Å; I174-L276 VanDerWaalsContact CD1-CD1 3.48Å |
| 175 | R | 97.8 | Very high | 95.6 | Very high | 56 Ų | 56 | 52.9 Ų | 52.9 | 21% | 0.211 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 135.4 | 173.1 | -179.4 | -173.3 | -55.8 | -94.9 | -1.9 | 110.5 | S234 V235 V236 I274 T275 E277 | R175-S234 PolarHBondContact NH1-OG 3.05Å; R175-V235 CarbonylContact C-O 3.56Å; R175-V235 VanDerWaalsContact CA-O 3.32Å; R175-V235 WeakPolarHBondContact CA-O 3.39Å; R175-V236 HydrophobicContact CB-CG2 4.13Å; R175-V236 HydrophobicContact CG-CG2 3.97Å; R175-V236 VanDerWaalsContact CZ-CG2 3.44Å; R175-I274 CarbonylContact O-C 3.55Å; R175-I274 VanDerWaalsContact O-CA 3.25Å; R175-I274 WeakPolarHBondContact O-CA 3.33Å; R175-T275 PolarHBondContact N-O 2.79Å; R175-T275 PolarHBondContact O-N 2.96Å; R175-E277 VanDerWaalsContact CB-OE2 3.28Å; R175-E277 WeakPolarHBondContact CB-OE2 3.32Å; R175-E277 IonicContact CZ-OE1 3.33Å; R175-E277 IonicContact NE-OE1 2.7Å; R175-E277 PolarHBondContact NE-OE1 3.25Å; R175-E277 IonicContact NE-OE2 2.74Å; R175-E277 PolarHBondContact NE-OE2 3.06Å; R175-E277 IonicContact NH2-OE1 3Å; R175-E277 PolarHBondContact NH2-OE1 3.33Å |
| 176 | A | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 128.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | I214 S234 V235 Y253 I273 I274 | A176-I214 HydrophobicContact CB-CD1 4.49Å; A176-S234 WeakPolarHBondContact O-CA 3.34Å; A176-S234 WeakPolarHBondContact O-CB 3.49Å; A176-V235 HydrophobicContact CB-CG1 4.1Å; A176-V235 PolarHBondContact N-O 3.27Å; A176-V235 PolarHBondContact O-N 2.95Å; A176-Y253 HydrophobicContact CB-CE1 3.65Å; A176-I273 WeakPolarHBondContact CA-O 3.38Å; A176-I274 HydrophobicContact CB-CG1 4.33Å |
| 177 | M | 97.6 | Very high | 95.1 | Very high | 30 Ų | 30 | 51.1 Ų | 51.1 | 15% | 0.148 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 125.3 | -178.5 | 177.5 | 171.8 | 49.7 | 0 | 0 | 111.1 | P115 V179 R232 I273 | P115-M177 HydrophobicContact CB-CE 3.57Å; P115-M177 HydrophobicContact CG-CE 3.67Å; P115-M177 HydrophobicContact CG-SD 4.36Å; M177-V179 HydrophobicContact CG-CG1 4.37Å; M177-R232 HydrophobicContact SD-CB 4.03Å; M177-I273 PolarHBondContact N-O 2.94Å; M177-I273 PolarHBondContact O-N 3.41Å |
| 178 | P | 97.6 | Very high | 95.1 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 6% | 0.058 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 137.6 | 172.7 | 32.9 | -29.8 | 0 | 0 | 0 | 112 | V190 L213 I214 Q233 I270 L271 | P178-V190 HydrophobicContact CB-CB 4Å; P178-V190 HydrophobicContact CB-CG1 3.98Å; P178-V190 HydrophobicContact CB-CG2 4.31Å; P178-V190 HydrophobicContact CG-CB 4.05Å; P178-V190 HydrophobicContact CG-CG1 4.22Å; P178-L213 HydrophobicContact CB-CD2 4.24Å; P178-L213 HydrophobicContact CG-CD2 4.43Å; P178-I214 HydrophobicContact CB-CD1 4.08Å; P178-I214 HydrophobicContact CB-CG1 4.49Å; P178-I214 HydrophobicContact CG-CD1 4.08Å; P178-I214 HydrophobicContact CG-CG1 4.21Å; P178-Q233 WeakPolarHBondContact CD-O 3.42Å; P178-I270 HydrophobicContact CB-CD1 4.32Å; P178-L271 WeakPolarHBondContact CA-O 3.47Å |
| 179 | V | 96.9 | Very high | 95 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 152.3 | 171.6 | -59.3 | 0 | 0 | 0 | 0 | 110.3 | P115 M177 I270 L271 I273 | P115-V179 HydrophobicContact CG-CG1 3.79Å; M177-V179 HydrophobicContact CG-CG1 4.37Å; V179-I270 CarbonylContact O-C 3.57Å; V179-I270 WeakPolarHBondContact O-CA 3.21Å; V179-I270 WeakPolarHBondContact O-CB 3.49Å; V179-L271 HydrophobicContact CG2-CB 4.01Å; V179-L271 PolarHBondContact N-O 3.4Å; V179-L271 PolarHBondContact O-N 2.61Å; V179-I273 HydrophobicContact CG1-CD1 4.3Å; V179-I273 HydrophobicContact CG2-CD1 3.9Å; V179-I273 HydrophobicContact CG2-CG1 4.26Å |
| 180 | Y | 97.3 | Very high | 95 | Very high | 11 Ų | 11 | 47.5 Ų | 47.5 | 4% | 0.043 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 136.5 | 173.5 | -66.4 | -70.3 | 0 | 0 | 0 | 111.2 | K182 H185 D188 V190 M265 R268 I270 | Y180-K182 PolarHBondContact O-N 2.84Å; Y180-H185 HydrophobicContact CD2-CB 4.06Å; Y180-H185 VanDerWaalsContact CD2-O 3.32Å; Y180-H185 WeakPolarHBondContact CD2-O 3.43Å; Y180-H185 HydrophobicContact CG-CB 3.96Å; Y180-D188 HydrophobicContact CD2-CB 3.8Å; Y180-D188 WeakPolarHBondContact CD2-O 3.4Å; Y180-D188 HydrophobicContact CE2-CB 3.73Å; Y180-V190 HydrophobicContact CD1-CG2 4.13Å; Y180-V190 HydrophobicContact CD2-CG2 3.7Å; Y180-V190 HydrophobicContact CE1-CG2 4.06Å; Y180-V190 HydrophobicContact CE2-CB 4.36Å; Y180-V190 HydrophobicContact CE2-CG2 3.65Å; Y180-V190 HydrophobicContact CG-CG2 3.97Å; Y180-M265 HydrophobicContact CE1-CB 4.42Å; Y180-M265 HydrophobicContact CE1-CG 4.28Å; Y180-R268 HydrophobicContact CD1-CB 3.55Å; Y180-R268 HydrophobicContact CD1-CG 4.48Å; Y180-R268 HydrophobicContact CE1-CB 3.68Å; Y180-R268 HydrophobicContact CE1-CG 4.41Å; Y180-I270 HydrophobicContact CD1-CG2 3.77Å; Y180-I270 HydrophobicContact CE1-CG2 4Å |
| 181 | K | 95.4 | Very high | 94.8 | Very high | 103 Ų | 103 | 45.1 Ų | 45.1 | 45% | 0.448 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -70.5 | -29 | -176.3 | -179 | 172.9 | 173.7 | 172.3 | 0 | 113.1 | P269 L271 E290 | K181-P269 HydrophobicContact CB-CB 4.27Å; K181-P269 HydrophobicContact CB-CG 4.22Å; K181-P269 WeakPolarHBondContact CB-O 3.31Å; K181-P269 PolarHBondContact N-O 3.36Å; K181-L271 HydrophobicContact CB-CD2 4.32Å; K181-L271 HydrophobicContact CB-CG 3.93Å; K181-L271 HydrophobicContact CD-CD2 3.94Å; K181-L271 HydrophobicContact CD-CG 4.45Å; K181-L271 HydrophobicContact CG-CD1 4.34Å; K181-L271 HydrophobicContact CG-CD2 4.02Å; K181-L271 HydrophobicContact CG-CG 4Å; K181-E290 HydrophobicContact CD-CG 4.31Å; K181-E290 WeakPolarHBondContact CD-OE2 3.44Å; K181-E290 WeakPolarHBondContact CE-OE2 3.43Å; K181-E290 IonicContact NZ-OE2 2.68Å; K181-E290 PolarHBondContact NZ-OE2 2.96Å |
| 182 | K | 93.4 | Very high | 94.9 | Very high | 97 Ų | 97 | 42.5 Ų | 42.5 | 42% | 0.422 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -84.4 | 138.9 | 179.5 | -64.5 | -167.8 | 177.2 | -169.4 | 0 | 111.6 | Y180 E184 H185 V186 | Y180-K182 PolarHBondContact O-N 2.84Å; K182-E184 VanDerWaalsContact C-N 3.3Å; K182-E184 HydrophobicContact CB-CG 3.85Å; K182-E184 HydrophobicContact CD-CG 3.77Å; K182-E184 WeakPolarHBondContact CD-OE1 3.41Å; K182-E184 WeakPolarHBondContact CE-OE1 3.43Å; K182-E184 VanDerWaalsContact NZ-CD 3.33Å; K182-E184 IonicContact NZ-OE1 3.79Å; K182-E184 PolarHBondContact NZ-OE1 2.97Å; K182-E184 IonicContact NZ-OE2 3.94Å; K182-E184 PolarHBondContact NZ-OE2 3.12Å; K182-E184 PolarHBondContact O-N 3.31Å; K182-H185 PolarHBondContact O-N 2.85Å; K182-H185 VanDerWaalsContact O-N 3.1Å; K182-V186 PolarHBondContact O-N 2.91Å; K182-V186 VanDerWaalsContact O-N 3.14Å |
| 183 | A | 90.3 | Very high | 94.8 | Very high | 87 Ų | 87 | 42.4 Ų | 42.4 | 72% | 0.719 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -56.2 | -39.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | H185 V186 | A183-H185 PolarHBondContact O-N 2.89Å; A183-V186 WeakPolarHBondContact O-CG1 3.44Å; A183-V186 PolarHBondContact O-N 3.26Å |
| 184 | E | 93.4 | Very high | 94.6 | Very high | 121 Ų | 121 | 44.7 Ų | 44.7 | 57% | 0.565 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -59 | -11.8 | 177.6 | 69.5 | -169.8 | -144.4 | 0 | 0 | 114.8 | K182 | K182-E184 VanDerWaalsContact C-N 3.3Å; K182-E184 HydrophobicContact CB-CG 3.85Å; K182-E184 HydrophobicContact CD-CG 3.77Å; K182-E184 WeakPolarHBondContact CD-OE1 3.41Å; K182-E184 WeakPolarHBondContact CE-OE1 3.43Å; K182-E184 VanDerWaalsContact NZ-CD 3.33Å; K182-E184 IonicContact NZ-OE1 3.79Å; K182-E184 PolarHBondContact NZ-OE1 2.97Å; K182-E184 IonicContact NZ-OE2 3.94Å; K182-E184 PolarHBondContact NZ-OE2 3.12Å; K182-E184 PolarHBondContact O-N 3.31Å |
| 185 | H | 92.6 | Very high | 94.3 | Very high | 31 Ų | 31 | 51 Ų | 51 | 14% | 0.144 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -132.7 | 6.6 | 179.3 | -58.2 | -28.1 | 0 | 0 | 0 | 112.9 | Y180 K182 A183 T187 D188 R268 | Y180-H185 HydrophobicContact CD2-CB 4.06Å; Y180-H185 VanDerWaalsContact CD2-O 3.32Å; Y180-H185 WeakPolarHBondContact CD2-O 3.43Å; Y180-H185 HydrophobicContact CG-CB 3.96Å; K182-H185 PolarHBondContact O-N 2.85Å; K182-H185 VanDerWaalsContact O-N 3.1Å; A183-H185 PolarHBondContact O-N 2.89Å; H185-T187 PolarHBondContact O-N 3.05Å; H185-D188 IonicContact CG-OD2 3.32Å; H185-D188 IonicContact ND1-OD2 3.56Å; H185-D188 WeakPolarHBondContact O-CB 3.49Å; H185-D188 PolarHBondContact O-N 3.46Å; H185-R268 WeakPolarHBondContact CD2-CD 3.47Å; H185-R268 VanDerWaalsContact CD2-CZ 3.45Å; H185-R268 PolarHBondContact CD2-NE 3.16Å; H185-R268 VanDerWaalsContact CE1-CZ 3.42Å; H185-R268 PolarHBondContact CE1-NH2 2.89Å; H185-R268 PolarHBondContact ND1-NH2 3.15Å; H185-R268 PolarHBondContact NE2-NE 3.4Å; H185-R268 VanDerWaalsContact NE2-NE 3.12Å; H185-R268 PolarHBondContact NE2-NH2 2.68Å |
| 186 | V | 90.1 | Very high | 94 | Very high | 27 Ų | 27 | 50.1 Ų | 50.1 | 16% | 0.164 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -24.7 | -172.1 | 77.5 | 0 | 0 | 0 | 0 | 112.7 | I114 K182 A183 R232 | I114-V186 HydrophobicContact CD1-CG1 3.92Å; I114-V186 HydrophobicContact CG1-CG1 4.21Å; I114-V186 HydrophobicContact CG2-CG1 4.1Å; I114-V186 HydrophobicContact CG2-CG2 3.94Å; K182-V186 PolarHBondContact O-N 2.91Å; K182-V186 VanDerWaalsContact O-N 3.14Å; A183-V186 WeakPolarHBondContact O-CG1 3.44Å; A183-V186 PolarHBondContact O-N 3.26Å; V186-R232 PolarHBondContact O-NH1 2.82Å; V186-R232 PolarHBondContact O-NH2 3.19Å |
| 187 | T | 90.6 | Very high | 93.7 | Very high | 88 Ų | 88 | 53.1 Ų | 53.1 | 54% | 0.54 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -25.1 | 170.4 | 45.3 | 0 | 0 | 0 | 0 | 113.3 | I114 H185 | I114-T187 HydrophobicContact CD1-CG2 4.48Å; H185-T187 PolarHBondContact O-N 3.05Å |
| 188 | D | 93.1 | Very high | 93.2 | Very high | 57 Ų | 57 | 58.7 Ų | 58.7 | 31% | 0.305 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -73.8 | 138.7 | -176.7 | -58.3 | -1.4 | 0 | 0 | 0 | 109.8 | Y180 H185 R268 | Y180-D188 HydrophobicContact CD2-CB 3.8Å; Y180-D188 WeakPolarHBondContact CD2-O 3.4Å; Y180-D188 HydrophobicContact CE2-CB 3.73Å; H185-D188 IonicContact CG-OD2 3.32Å; H185-D188 IonicContact ND1-OD2 3.56Å; H185-D188 WeakPolarHBondContact O-CB 3.49Å; H185-D188 PolarHBondContact O-N 3.46Å; D188-R268 IonicContact OD2-CZ 3.22Å; D188-R268 IonicContact OD2-NH1 2.7Å; D188-R268 PolarHBondContact OD2-NH1 2.85Å; D188-R268 IonicContact OD2-NH2 3.16Å |
| 189 | I | 93.3 | Very high | 92.4 | Very high | 55 Ų | 55 | 59.4 Ų | 59.4 | 28% | 0.282 | 32% | 0.32 | S | S | . | . | B | Isolated β-bridge | trans | -76.2 | 130.2 | 176.8 | -56.8 | 157.8 | 0 | 0 | 0 | 108.8 | K191 G231 Q233 | I189-K191 HydrophobicContact CB-CG 4.37Å; I189-K191 HydrophobicContact CG2-CD 4.31Å; I189-K191 HydrophobicContact CG2-CG 3.73Å; I189-K191 PolarHBondContact O-N 3.31Å; I189-G231 WeakPolarHBondContact CD1-O 3.11Å; I189-G231 VanDerWaalsContact CG2-O 3.31Å; I189-G231 WeakPolarHBondContact CG2-O 3.48Å; I189-Q233 HydrophobicContact CG2-CG 4.16Å |
| 190 | V | 95.5 | Very high | 91.2 | Very high | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.018 | 35% | 0.351 | C | S | . | . | trans | -79.4 | 107.9 | 172.1 | -176.2 | 0 | 0 | 0 | 0 | 109 | P178 Y180 L213 M265 I270 | P178-V190 HydrophobicContact CB-CB 4Å; P178-V190 HydrophobicContact CB-CG1 3.98Å; P178-V190 HydrophobicContact CB-CG2 4.31Å; P178-V190 HydrophobicContact CG-CB 4.05Å; P178-V190 HydrophobicContact CG-CG1 4.22Å; Y180-V190 HydrophobicContact CD1-CG2 4.13Å; Y180-V190 HydrophobicContact CD2-CG2 3.7Å; Y180-V190 HydrophobicContact CE1-CG2 4.06Å; Y180-V190 HydrophobicContact CE2-CB 4.36Å; Y180-V190 HydrophobicContact CE2-CG2 3.65Å; Y180-V190 HydrophobicContact CG-CG2 3.97Å; V190-L213 HydrophobicContact CG1-CD2 3.46Å; V190-L213 VanDerWaalsContact CG1-CD2 3.46Å; V190-M265 HydrophobicContact CG1-CG 3.96Å; V190-M265 HydrophobicContact CG1-SD 4.43Å; V190-I270 HydrophobicContact CG1-CG2 4.02Å; V190-I270 HydrophobicContact CG2-CG2 3.96Å | ||
| 191 | K | 91.6 | Very high | 89.9 | Confident | 89 Ų | 89 | 74.2 Ų | 74.2 | 39% | 0.387 | 39% | 0.385 | S | S | . | . | trans | -117.9 | 166.2 | 175.6 | -58 | -163.5 | 176.4 | -167.6 | 0 | 111.4 | I189 | I189-K191 HydrophobicContact CB-CG 4.37Å; I189-K191 HydrophobicContact CG2-CD 4.31Å; I189-K191 HydrophobicContact CG2-CG 3.73Å; I189-K191 PolarHBondContact O-N 3.31Å | ||
| 192 | R | 94.8 | Very high | 88.7 | Confident | 3 Ų | 3 | 72.2 Ų | 72.2 | 1% | 0.011 | 38% | 0.377 | C | S | . | . | trans | -64.9 | 167.6 | 164.4 | -62.7 | 173.6 | 84.3 | -170.1 | 7.3 | 110 | H196 N203 A210 S211 H212 M256 C257 | R192-H196 PolarHBondContact NH1-O 3.42Å; R192-H196 VanDerWaalsContact NH1-O 3.16Å; R192-H196 PolarHBondContact NH2-O 2.93Å; R192-N203 PolarHBondContact NH1-ND2 3.09Å; R192-N203 PolarHBondContact NH1-OD1 3.15Å; R192-A210 WeakPolarHBondContact CD-O 3.36Å; R192-A210 PolarHBondContact NH1-O 3.12Å; R192-S211 VanDerWaalsContact CG-O 3.28Å; R192-S211 WeakPolarHBondContact CG-O 3.36Å; R192-S211 PolarHBondContact N-O 2.73Å; R192-H212 WeakPolarHBondContact CD-O 3.24Å; R192-M256 PolarHBondContact NE-O 2.87Å; R192-M256 PolarHBondContact NH2-O 2.88Å; R192-C257 HydrophobicContact CB-CB 4.15Å; R192-C257 HydrophobicContact CG-CB 4.02Å | ||
| 193 | C | 94.9 | Very high | 87.8 | Confident | 4 Ų | 4 | 69.3 Ų | 69.3 | 3% | 0.027 | 37% | 0.366 | C | S | . | . | trans | -85.3 | 154.3 | 168.5 | 65 | 0 | 0 | 0 | 0 | 110.5 | N195 H196 E197 C261 V262 | C193-N195 PolarHBondContact O-N 2.77Å; C193-N195 VanDerWaalsContact O-N 3.1Å; C193-H196 PolarHBondContact O-N 3.25Å; C193-H196 PolarHBondContact SG-ND1 2.83Å; C193-E197 PolarHBondContact O-N 3.49Å; C193-C261 HydrophobicContact CB-CB 3.99Å; C193-V262 WeakPolarHBondContact CB-O 3.38Å | ||
| 194 | P | 93 | Very high | 86.5 | Confident | 62 Ų | 62 | 72 Ų | 72 | 40% | 0.403 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -50.4 | -39.6 | -179.9 | -31 | 36.1 | 0 | 0 | 0 | 114 | H196 E197 L198 G263 | P194-H196 VanDerWaalsContact C-N 3.32Å; P194-H196 PolarHBondContact O-N 2.76Å; P194-E197 PolarHBondContact O-N 3.01Å; P194-L198 WeakPolarHBondContact O-CB 3.37Å; P194-L198 WeakPolarHBondContact O-CG 3.36Å; P194-L198 PolarHBondContact O-N 3.4Å; P194-G263 WeakPolarHBondContact CD-O 3.37Å |
| 195 | N | 92 | Very high | 85 | Confident | 135 Ų | 135 | 70.5 Ų | 70.5 | 72% | 0.722 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.4 | -35.7 | 179.8 | -58.4 | 23.7 | 0 | 0 | 0 | 113.1 | C193 G199 | C193-N195 PolarHBondContact O-N 2.77Å; C193-N195 VanDerWaalsContact O-N 3.1Å; N195-G199 PolarHBondContact O-N 2.78Å |
| 196 | H | 92 | Very high | 83.7 | Confident | 37 Ų | 37 | 73.3 Ų | 73.3 | 17% | 0.171 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -86.8 | -27.6 | 176.8 | -74.2 | 134.9 | 0 | 0 | 0 | 112.6 | I154 R192 C193 P194 N203 C257 C261 | I154-H196 WeakPolarHBondContact CD1-NE2 3.49Å; R192-H196 PolarHBondContact NH1-O 3.42Å; R192-H196 VanDerWaalsContact NH1-O 3.16Å; R192-H196 PolarHBondContact NH2-O 2.93Å; C193-H196 PolarHBondContact O-N 3.25Å; C193-H196 PolarHBondContact SG-ND1 2.83Å; P194-H196 VanDerWaalsContact C-N 3.32Å; P194-H196 PolarHBondContact O-N 2.76Å; H196-N203 PolarHBondContact O-ND2 3.14Å; H196-N203 VanDerWaalsContact O-ND2 3.12Å; H196-C257 PolarHBondContact ND1-SG 2.69Å; H196-C257 VanDerWaalsContact ND1-SG 3.4Å; H196-C261 PolarHBondContact CE1-SG 3.1Å |
| 197 | E | 91.6 | Very high | 82.8 | Confident | 64 Ų | 64 | 77.8 Ų | 77.8 | 30% | 0.299 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -69.1 | -44 | 174.8 | -175.4 | 164 | -162.4 | 0 | 0 | 111.4 | C193 P194 N203 A210 S211 | C193-E197 PolarHBondContact O-N 3.49Å; P194-E197 PolarHBondContact O-N 3.01Å; E197-N203 PolarHBondContact O-ND2 3.48Å; E197-N203 VanDerWaalsContact O-ND2 3.13Å; E197-A210 HydrophobicContact CG-CB 4.17Å; E197-S211 WeakPolarHBondContact OE1-CA 3.4Å; E197-S211 WeakPolarHBondContact OE1-CB 3.3Å |
| 198 | L | 87.3 | Confident | 82.6 | Confident | 146 Ų | 146 | 74.3 Ų | 74.3 | 76% | 0.764 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -86.4 | -19.7 | -179.6 | -60.6 | 173.1 | 0 | 0 | 0 | 114.4 | P194 | P194-L198 WeakPolarHBondContact O-CB 3.37Å; P194-L198 WeakPolarHBondContact O-CG 3.36Å; P194-L198 PolarHBondContact O-N 3.4Å |
| 199 | G | 80.9 | Confident | 82.5 | Confident | 25 Ų | 25 | 74 Ų | 74 | 26% | 0.258 | 41% | 0.408 | S | S | . | . | trans | -71 | 143.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | N195 N203 | N195-G199 PolarHBondContact O-N 2.78Å; G199-N203 PolarHBondContact O-ND2 3.38Å | ||
| 200 | R | 72.6 | Confident | 82.3 | Confident | 182 Ų | 182 | 73.4 Ų | 73.4 | 69% | 0.687 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -77.4 | -35.1 | -177.9 | -80.4 | -173.9 | -84.3 | -101.6 | 4.7 | 113.9 | F202 N203 E204 | R200-F202 PolarHBondContact O-N 3.45Å; R200-N203 PolarHBondContact O-N 2.82Å; R200-E204 HydrophobicContact CB-CG 4.26Å; R200-E204 WeakPolarHBondContact CD-OE1 3.23Å; R200-E204 PolarHBondContact O-N 3.41Å |
| 201 | D | 69.3 | Low | 82.1 | Confident | 142 Ų | 142 | 74 Ų | 74 | 76% | 0.759 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -22.8 | -170.3 | -40.5 | -14.9 | 0 | 0 | 0 | 115.9 | ||
| 202 | F | 70.8 | Confident | 82.2 | Confident | 62 Ų | 62 | 70 Ų | 70 | 27% | 0.272 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.1 | 18.9 | -177.6 | -56.1 | -60 | 0 | 0 | 0 | 113.1 | I154 A155 R200 R215 M256 | I154-F202 HydrophobicContact CD1-CD2 4.48Å; I154-F202 HydrophobicContact CD1-CE2 4.15Å; A155-F202 HydrophobicContact CB-CD1 3.45Å; A155-F202 VanDerWaalsContact CB-CD1 3.45Å; A155-F202 HydrophobicContact CB-CE1 3.74Å; A155-F202 HydrophobicContact CB-CG 4.24Å; R200-F202 PolarHBondContact O-N 3.45Å; F202-R215 PolarHBondContact O-NH1 2.9Å; F202-M256 HydrophobicContact CB-CE 4.01Å |
| 203 | N | 74.5 | Confident | 82.3 | Confident | 36 Ų | 36 | 69.9 Ų | 69.9 | 19% | 0.193 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.1 | -19.5 | -177.2 | -72.2 | -50 | 0 | 0 | 0 | 113.9 | R192 H196 E197 G199 R200 R215 | R192-N203 PolarHBondContact NH1-ND2 3.09Å; R192-N203 PolarHBondContact NH1-OD1 3.15Å; H196-N203 PolarHBondContact O-ND2 3.14Å; H196-N203 VanDerWaalsContact O-ND2 3.12Å; E197-N203 PolarHBondContact O-ND2 3.48Å; E197-N203 VanDerWaalsContact O-ND2 3.13Å; G199-N203 PolarHBondContact O-ND2 3.38Å; R200-N203 PolarHBondContact O-N 2.82Å; N203-R215 PolarHBondContact OD1-NH1 3.17Å; N203-R215 PolarHBondContact OD1-NH2 3.42Å |
| 204 | E | 63.4 | Low | 82.4 | Confident | 143 Ų | 143 | 69.9 Ų | 69.9 | 67% | 0.668 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | 141.7 | 174.4 | -67.1 | -173.8 | 160.6 | 0 | 0 | 112.1 | R200 Q206 | R200-E204 HydrophobicContact CB-CG 4.26Å; R200-E204 WeakPolarHBondContact CD-OE1 3.23Å; R200-E204 PolarHBondContact O-N 3.41Å; E204-Q206 VanDerWaalsContact C-N 3.3Å; E204-Q206 PolarHBondContact O-N 3.47Å |
| 205 | G | 61.2 | Low | 82.6 | Confident | 90 Ų | 90 | 67.1 Ų | 67.1 | 93% | 0.928 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 6.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 206 | Q | 64.9 | Low | 82.7 | Confident | 90 Ų | 90 | 61.5 Ų | 61.5 | 42% | 0.421 | 35% | 0.349 | S | S | . | . | trans | -113.6 | 131 | -176.1 | -62.4 | -173.8 | 4.7 | 0 | 0 | 112.7 | E204 A208 R215 | E204-Q206 VanDerWaalsContact C-N 3.3Å; E204-Q206 PolarHBondContact O-N 3.47Å; Q206-A208 PolarHBondContact O-N 2.86Å; Q206-R215 VanDerWaalsContact OE1-CD 3.28Å | ||
| 207 | S | 72.1 | Confident | 82.7 | Confident | 121 Ų | 121 | 63.8 Ų | 63.8 | 85% | 0.846 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -68.5 | 6.1 | 176.6 | -40.4 | 0 | 0 | 0 | 0 | 114.9 | ||
| 208 | A | 86.3 | Confident | 82.6 | Confident | 14 Ų | 14 | 64.5 Ų | 64.5 | 12% | 0.116 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -103.6 | 136.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q206 R215 Y224 | Q206-A208 PolarHBondContact O-N 2.86Å; A208-R215 VanDerWaalsContact CB-CD 3.44Å; A208-R215 HydrophobicContact CB-CG 3.81Å; A208-Y224 HydrophobicContact CB-CD1 4.29Å; A208-Y224 HydrophobicContact CB-CD2 4.15Å; A208-Y224 HydrophobicContact CB-CE1 3.74Å; A208-Y224 HydrophobicContact CB-CE2 3.59Å; A208-Y224 HydrophobicContact CB-CG 4.49Å |
| 209 | P | 89.8 | Confident | 82.6 | Confident | 51 Ų | 51 | 59.3 Ų | 59.3 | 33% | 0.331 | 36% | 0.357 | S | S | . | . | trans | -57.2 | 145.8 | -178.1 | -24.2 | 33.3 | 0 | 0 | 0 | 113.2 | S211 H212 R215 Y224 | P209-S211 PolarHBondContact O-N 3.31Å; P209-H212 PolarHBondContact O-N 3.2Å; P209-R215 PolarHBondContact O-NH2 2.99Å; P209-Y224 VanDerWaalsContact CD-CB 3.43Å; P209-Y224 HydrophobicContact CG-CG 4.29Å | ||
| 210 | A | 90.4 | Very high | 83 | Confident | 42 Ų | 42 | 65.7 Ų | 65.7 | 35% | 0.347 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -31.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R192 E197 | R192-A210 WeakPolarHBondContact CD-O 3.36Å; R192-A210 PolarHBondContact NH1-O 3.12Å; E197-A210 HydrophobicContact CG-CB 4.17Å |
| 211 | S | 90.9 | Very high | 84 | Confident | 17 Ų | 17 | 61.9 Ų | 61.9 | 12% | 0.119 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -34.5 | -175.7 | 54 | 0 | 0 | 0 | 0 | 114.8 | R192 E197 P209 L213 Q233 | R192-S211 VanDerWaalsContact CG-O 3.28Å; R192-S211 WeakPolarHBondContact CG-O 3.36Å; R192-S211 PolarHBondContact N-O 2.73Å; E197-S211 WeakPolarHBondContact OE1-CA 3.4Å; E197-S211 WeakPolarHBondContact OE1-CB 3.3Å; P209-S211 PolarHBondContact O-N 3.31Å; S211-L213 PolarHBondContact O-N 3.2Å; S211-Q233 PolarHBondContact O-OE1 3.12Å; S211-Q233 VanDerWaalsContact O-OE1 3.1Å; S211-Q233 PolarHBondContact OG-NE2 3.46Å |
| 212 | H | 94.4 | Very high | 85.3 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 1% | 0.014 | 35% | 0.349 | C | S | . | . | trans | -65.6 | 125.4 | -168.4 | -81.7 | -121.1 | 0 | 0 | 0 | 113.1 | R192 P209 Y224 D226 Q233 S234 | R192-H212 WeakPolarHBondContact CD-O 3.24Å; P209-H212 PolarHBondContact O-N 3.2Å; H212-Y224 HydrophobicContact CB-CD1 4.27Å; H212-Y224 AromaticContact CG-CD1 3.97Å; H212-Y224 AromaticContact ND1-CD1 3.64Å; H212-D226 IonicContact NE2-OD1 3.18Å; H212-D226 IonicContact NE2-OD2 2.66Å; H212-Q233 PolarHBondContact CD2-NE2 2.85Å; H212-Q233 VanDerWaalsContact CD2-NE2 3.33Å; H212-S234 PolarHBondContact CE1-O 3.24Å; H212-S234 PolarHBondContact ND1-O 3.17Å | ||
| 213 | L | 96.6 | Very high | 86.4 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -67.4 | -40.9 | 176.4 | 176.2 | 62.6 | 0 | 0 | 0 | 113.2 | P178 V190 S211 F255 M256 C257 M265 I270 | P178-L213 HydrophobicContact CB-CD2 4.24Å; P178-L213 HydrophobicContact CG-CD2 4.43Å; V190-L213 HydrophobicContact CG1-CD2 3.46Å; V190-L213 VanDerWaalsContact CG1-CD2 3.46Å; S211-L213 PolarHBondContact O-N 3.2Å; L213-F255 WeakPolarHBondContact O-CA 3.44Å; L213-M256 PolarHBondContact O-N 3.07Å; L213-C257 HydrophobicContact CD1-CB 3.68Å; L213-M265 HydrophobicContact CD1-CE 3.7Å; L213-M265 HydrophobicContact CD2-CE 3.9Å; L213-M265 HydrophobicContact CD2-CG 4.49Å; L213-M265 HydrophobicContact CD2-SD 3.75Å; L213-M265 HydrophobicContact CG-CE 4.49Å; L213-I270 HydrophobicContact CD2-CD1 3.86Å |
| 214 | I | 97.3 | Very high | 87.5 | Confident | 5 Ų | 5 | 59.6 Ų | 59.6 | 3% | 0.026 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 129.2 | -177.9 | -53 | -175.9 | 0 | 0 | 0 | 108.5 | A176 P178 V235 Y253 F255 V272 | A176-I214 HydrophobicContact CB-CD1 4.49Å; P178-I214 HydrophobicContact CB-CD1 4.08Å; P178-I214 HydrophobicContact CB-CG1 4.49Å; P178-I214 HydrophobicContact CG-CD1 4.08Å; P178-I214 HydrophobicContact CG-CG1 4.21Å; I214-V235 HydrophobicContact CB-CG1 4.37Å; I214-V235 HydrophobicContact CG2-CG1 3.91Å; I214-Y253 HydrophobicContact CG2-CD1 3.65Å; I214-Y253 HydrophobicContact CG2-CE1 4.25Å; I214-F255 HydrophobicContact CD1-CE1 3.9Å; I214-F255 HydrophobicContact CG1-CD1 4.02Å; I214-F255 HydrophobicContact CG1-CE1 3.83Å; I214-V272 HydrophobicContact CD1-CG1 3.88Å; I214-V272 HydrophobicContact CD1-CG2 4.2Å |
| 215 | R | 95.4 | Very high | 88.9 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 1% | 0.011 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 162.4 | 171.5 | -66.5 | -174 | 178.9 | 162.2 | 3 | 111 | F202 N203 Q206 A208 P209 Y224 Y253 N254 M256 | F202-R215 PolarHBondContact O-NH1 2.9Å; N203-R215 PolarHBondContact OD1-NH1 3.17Å; N203-R215 PolarHBondContact OD1-NH2 3.42Å; Q206-R215 VanDerWaalsContact OE1-CD 3.28Å; A208-R215 VanDerWaalsContact CB-CD 3.44Å; A208-R215 HydrophobicContact CB-CG 3.81Å; P209-R215 PolarHBondContact O-NH2 2.99Å; R215-Y224 WeakPolarHBondContact CA-OH 3.21Å; R215-Y224 HydrophobicContact CB-CE1 4.35Å; R215-Y224 HydrophobicContact CG-CE1 4.02Å; R215-Y253 CarbonylContact O-C 3.45Å; R215-Y253 WeakPolarHBondContact O-CA 3.45Å; R215-N254 PolarHBondContact N-O 3.15Å; R215-N254 PolarHBondContact O-N 3.08Å; R215-M256 HydrophobicContact CB-CG 4.25Å; R215-M256 HydrophobicContact CB-SD 4.36Å; R215-M256 HydrophobicContact CG-CG 3.75Å; R215-M256 HydrophobicContact CG-SD 4.36Å |
| 216 | V | 95.8 | Very high | 90.6 | Very high | 17 Ų | 17 | 54.5 Ų | 54.5 | 10% | 0.103 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 134 | 174.5 | 174.4 | 0 | 0 | 0 | 0 | 108.8 | N219 A222 Y224 V235 V237 I251 L252 Y253 | V216-N219 HydrophobicContact CG1-CB 4.02Å; V216-A222 HydrophobicContact CB-CB 3.93Å; V216-A222 HydrophobicContact CG1-CB 4.18Å; V216-Y224 PolarHBondContact N-OH 3.29Å; V216-V235 HydrophobicContact CB-CG2 4.46Å; V216-V235 HydrophobicContact CG2-CG1 4Å; V216-V235 HydrophobicContact CG2-CG2 3.79Å; V216-V237 HydrophobicContact CB-CG2 4.37Å; V216-V237 HydrophobicContact CG1-CG2 4.09Å; V216-V237 HydrophobicContact CG2-CG2 3.79Å; V216-I251 HydrophobicContact CG1-CG2 3.99Å; V216-I251 HydrophobicContact CG2-CG2 4.16Å; V216-L252 CarbonylContact C-O 3.54Å; V216-L252 VanDerWaalsContact CA-O 3.3Å; V216-L252 WeakPolarHBondContact CA-O 3.47Å; V216-Y253 HydrophobicContact CG2-CD1 3.7Å; V216-Y253 HydrophobicContact CG2-CE1 3.6Å |
| 217 | E | 92.1 | Very high | 91.9 | Very high | 86 Ų | 86 | 52.6 Ų | 52.6 | 40% | 0.402 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 145.9 | 178.8 | -176.5 | 176 | 164.1 | 0 | 0 | 110.2 | T157 N219 L252 N254 | T157-E217 WeakPolarHBondContact CB-OE2 3.33Å; T157-E217 HydrophobicContact CG2-CB 4.49Å; T157-E217 WeakPolarHBondContact CG2-OE2 3.48Å; T157-E217 PolarHBondContact OG1-OE2 2.96Å; E217-N219 PolarHBondContact O-N 3.49Å; E217-N219 VanDerWaalsContact O-N 3.14Å; E217-L252 HydrophobicContact CB-CB 4.09Å; E217-L252 PolarHBondContact N-O 3.15Å; E217-N254 VanDerWaalsContact CB-OD1 3.31Å; E217-N254 WeakPolarHBondContact CB-OD1 3.42Å; E217-N254 PolarHBondContact OE2-ND2 2.79Å; E217-N254 PolarHBondContact OE2-OD1 3.24Å |
| 218 | G | 87.6 | Confident | 92.7 | Very high | 78 Ų | 78 | 52.9 Ų | 52.9 | 80% | 0.804 | 31% | 0.313 | S | S | * | . | S | Bend | trans | 74.1 | -6.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 219 | N | 89.4 | Confident | 92.8 | Very high | 37 Ų | 37 | 57.1 Ų | 57.1 | 20% | 0.198 | 34% | 0.337 | C | S | . | . | trans | -118.3 | 109.6 | 177.4 | -166.4 | -55.5 | 0 | 0 | 0 | 111.9 | V216 E217 L221 A222 V237 E240 | V216-N219 HydrophobicContact CG1-CB 4.02Å; E217-N219 PolarHBondContact O-N 3.49Å; E217-N219 VanDerWaalsContact O-N 3.14Å; N219-L221 VanDerWaalsContact C-N 3.26Å; N219-L221 PolarHBondContact O-N 2.75Å; N219-L221 WeakPolarHBondContact OD1-CA 3.39Å; N219-L221 VanDerWaalsContact OD1-CB 3.3Å; N219-L221 WeakPolarHBondContact OD1-CB 3.44Å; N219-L221 PolarHBondContact OD1-N 2.85Å; N219-A222 WeakPolarHBondContact O-CB 3.35Å; N219-A222 PolarHBondContact O-N 3.03Å; N219-A222 PolarHBondContact OD1-N 2.68Å; N219-V237 HydrophobicContact CB-CG1 4.44Å; N219-E240 PolarHBondContact ND2-OE1 2.72Å | ||
| 220 | N | 89.1 | Confident | 92.8 | Very high | 159 Ų | 159 | 56.2 Ų | 56.2 | 85% | 0.85 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -6.3 | -179.2 | -68.6 | -17 | 0 | 0 | 0 | 114.1 | A222 | N220-A222 VanDerWaalsContact C-N 3.34Š|
| 221 | L | 93.3 | Very high | 92.9 | Very high | 102 Ų | 102 | 55.4 Ų | 55.4 | 53% | 0.534 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 2.1 | 173.8 | -52.1 | 177.7 | 0 | 0 | 0 | 112.1 | N219 Q223 P238 | N219-L221 VanDerWaalsContact C-N 3.26Å; N219-L221 PolarHBondContact O-N 2.75Å; N219-L221 WeakPolarHBondContact OD1-CA 3.39Å; N219-L221 VanDerWaalsContact OD1-CB 3.3Å; N219-L221 WeakPolarHBondContact OD1-CB 3.44Å; N219-L221 PolarHBondContact OD1-N 2.85Å; L221-Q223 PolarHBondContact O-N 3.46Å; L221-P238 HydrophobicContact CB-CG 3.86Å; L221-P238 HydrophobicContact CD1-CG 4.18Å |
| 222 | A | 95.4 | Very high | 93.1 | Very high | 16 Ų | 16 | 55.1 Ų | 55.1 | 13% | 0.132 | 32% | 0.323 | C | S | . | . | trans | -66.2 | 112.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V216 N219 N220 Y224 V235 V236 V237 | V216-A222 HydrophobicContact CB-CB 3.93Å; V216-A222 HydrophobicContact CG1-CB 4.18Å; N219-A222 WeakPolarHBondContact O-CB 3.35Å; N219-A222 PolarHBondContact O-N 3.03Å; N219-A222 PolarHBondContact OD1-N 2.68Å; N220-A222 VanDerWaalsContact C-N 3.34Å; A222-Y224 HydrophobicContact CB-CE2 4.33Å; A222-V235 HydrophobicContact CB-CG2 4.25Å; A222-V236 CarbonylContact C-O 3.58Å; A222-V236 WeakPolarHBondContact CA-O 3.32Å; A222-V237 HydrophobicContact CB-CG2 4.18Å | ||
| 223 | Q | 95.4 | Very high | 93.1 | Very high | 129 Ų | 129 | 55.2 Ų | 55.2 | 60% | 0.603 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 129.5 | 179.1 | -64.2 | -179.6 | 4.3 | 0 | 0 | 110.5 | L221 V235 V236 | L221-Q223 PolarHBondContact O-N 3.46Å; Q223-V235 CarbonylContact O-C 3.58Å; Q223-V235 WeakPolarHBondContact O-CA 3.47Å; Q223-V236 HydrophobicContact CB-CB 4.46Å; Q223-V236 PolarHBondContact N-O 3.49Å; Q223-V236 PolarHBondContact O-N 2.94Å |
| 224 | Y | 96 | Very high | 93.1 | Very high | 47 Ų | 47 | 55.5 Ų | 55.5 | 18% | 0.184 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 120.4 | 178.2 | -67.3 | -88.5 | 0 | 0 | 0 | 109 | A208 P209 H212 R215 V216 A222 V235 | A208-Y224 HydrophobicContact CB-CD1 4.29Å; A208-Y224 HydrophobicContact CB-CD2 4.15Å; A208-Y224 HydrophobicContact CB-CE1 3.74Å; A208-Y224 HydrophobicContact CB-CE2 3.59Å; A208-Y224 HydrophobicContact CB-CG 4.49Å; P209-Y224 VanDerWaalsContact CD-CB 3.43Å; P209-Y224 HydrophobicContact CG-CG 4.29Å; H212-Y224 HydrophobicContact CB-CD1 4.27Å; H212-Y224 AromaticContact CG-CD1 3.97Å; H212-Y224 AromaticContact ND1-CD1 3.64Å; R215-Y224 WeakPolarHBondContact CA-OH 3.21Å; R215-Y224 HydrophobicContact CB-CE1 4.35Å; R215-Y224 HydrophobicContact CG-CE1 4.02Å; V216-Y224 PolarHBondContact N-OH 3.29Å; A222-Y224 HydrophobicContact CB-CE2 4.33Å; Y224-V235 HydrophobicContact CD1-CB 4.07Å; Y224-V235 HydrophobicContact CD1-CG2 3.94Å; Y224-V235 HydrophobicContact CE1-CB 3.93Å; Y224-V235 HydrophobicContact CE1-CG2 3.58Å; Y224-V235 HydrophobicContact CE2-CG2 4.34Å; Y224-V235 HydrophobicContact CG-CG2 4.46Å |
| 225 | V | 94.5 | Very high | 93.1 | Very high | 44 Ų | 44 | 55.2 Ų | 55.2 | 27% | 0.267 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 113.2 | -171.3 | -177.3 | 0 | 0 | 0 | 0 | 110 | S234 V236 | V225-S234 PolarHBondContact N-O 2.83Å; V225-S234 PolarHBondContact O-N 2.96Å; V225-S234 PolarHBondContact O-OG 3.08Å; V225-V236 HydrophobicContact CG2-CG2 4Å |
| 226 | D | 95 | Very high | 93.2 | Very high | 83 Ų | 83 | 55.8 Ų | 55.8 | 44% | 0.444 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 118.3 | 158.2 | -78.1 | -42.2 | 0 | 0 | 0 | 108.3 | H212 Q233 | H212-D226 IonicContact NE2-OD1 3.18Å; H212-D226 IonicContact NE2-OD2 2.66Å; D226-Q233 WeakPolarHBondContact OD1-CG 3.44Å; D226-Q233 PolarHBondContact OD1-NE2 3.34Å |
| 227 | D | 92.1 | Very high | 93.3 | Very high | 50 Ų | 50 | 55.1 Ų | 55.1 | 27% | 0.267 | 32% | 0.324 | S | S | . | . | trans | -67.5 | 125.1 | 177.9 | 176.5 | -89.3 | 0 | 0 | 0 | 111 | V229 T230 G231 R232 | D227-V229 VanDerWaalsContact C-N 3.27Å; D227-V229 PolarHBondContact O-N 3.15Å; D227-V229 PolarHBondContact OD1-N 2.92Å; D227-V229 VanDerWaalsContact OD1-N 3.13Å; D227-T230 WeakPolarHBondContact CB-OG1 3.45Å; D227-T230 VanDerWaalsContact CG-OG1 3.23Å; D227-T230 WeakPolarHBondContact OD1-CB 3.35Å; D227-T230 WeakPolarHBondContact OD1-CG2 3.46Å; D227-T230 PolarHBondContact OD1-N 3.32Å; D227-T230 PolarHBondContact OD1-OG1 3.08Å; D227-G231 WeakPolarHBondContact O-CA 3.28Å; D227-G231 PolarHBondContact O-N 3.29Å; D227-R232 HydrophobicContact CB-CB 4.38Å; D227-R232 WeakPolarHBondContact CB-O 3.45Å; D227-R232 PolarHBondContact N-O 3.08Å | ||
| 228 | P | 89.8 | Confident | 93.5 | Very high | 126 Ų | 126 | 53.5 Ų | 53.5 | 82% | 0.818 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -11.5 | -169 | 29.4 | -36.1 | 0 | 0 | 0 | 114.6 | ||
| 229 | V | 88.5 | Confident | 93.9 | Very high | 103 Ų | 103 | 51.5 Ų | 51.5 | 62% | 0.624 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -38 | -178.8 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | D227 | D227-V229 VanDerWaalsContact C-N 3.27Å; D227-V229 PolarHBondContact O-N 3.15Å; D227-V229 PolarHBondContact OD1-N 2.92Å; D227-V229 VanDerWaalsContact OD1-N 3.13Å |
| 230 | T | 90.5 | Very high | 94.2 | Very high | 32 Ų | 32 | 54 Ų | 54 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | -11.9 | -172.5 | 66.7 | 0 | 0 | 0 | 0 | 113.6 | V113 D227 R232 | V113-T230 HydrophobicContact CB-CG2 4.37Å; V113-T230 HydrophobicContact CG1-CG2 4.24Å; V113-T230 HydrophobicContact CG2-CG2 4.41Å; D227-T230 WeakPolarHBondContact CB-OG1 3.45Å; D227-T230 VanDerWaalsContact CG-OG1 3.23Å; D227-T230 WeakPolarHBondContact OD1-CB 3.35Å; D227-T230 WeakPolarHBondContact OD1-CG2 3.46Å; D227-T230 PolarHBondContact OD1-N 3.32Å; D227-T230 PolarHBondContact OD1-OG1 3.08Å; T230-R232 PolarHBondContact O-N 2.93Å; T230-R232 WeakPolarHBondContact OG1-CB 3.49Å; T230-R232 WeakPolarHBondContact OG1-CG 3.35Å; T230-R232 PolarHBondContact OG1-N 2.97Å |
| 231 | G | 91.9 | Very high | 94.4 | Very high | 25 Ų | 25 | 50.8 Ų | 50.8 | 26% | 0.258 | 29% | 0.287 | S | S | . | . | trans | 64.8 | 13.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | I189 D227 | I189-G231 WeakPolarHBondContact CD1-O 3.11Å; I189-G231 VanDerWaalsContact CG2-O 3.31Å; I189-G231 WeakPolarHBondContact CG2-O 3.48Å; D227-G231 WeakPolarHBondContact O-CA 3.28Å; D227-G231 PolarHBondContact O-N 3.29Å | ||
| 232 | R | 94.3 | Very high | 94.4 | Very high | 11 Ų | 11 | 47.8 Ų | 47.8 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | trans | -74.9 | 127.3 | -178 | -70.5 | -177.8 | -171.6 | -75.8 | 2.2 | 110.7 | V113 M177 V186 D227 T230 | V113-R232 PolarHBondContact O-NE 3.14Å; V113-R232 VanDerWaalsContact O-NE 3.07Å; V113-R232 PolarHBondContact O-NH2 2.66Å; M177-R232 HydrophobicContact SD-CB 4.03Å; V186-R232 PolarHBondContact O-NH1 2.82Å; V186-R232 PolarHBondContact O-NH2 3.19Å; D227-R232 HydrophobicContact CB-CB 4.38Å; D227-R232 WeakPolarHBondContact CB-O 3.45Å; D227-R232 PolarHBondContact N-O 3.08Å; T230-R232 PolarHBondContact O-N 2.93Å; T230-R232 WeakPolarHBondContact OG1-CB 3.49Å; T230-R232 WeakPolarHBondContact OG1-CG 3.35Å; T230-R232 PolarHBondContact OG1-N 2.97Å | ||
| 233 | Q | 95.9 | Very high | 94.2 | Very high | 6 Ų | 6 | 54.6 Ų | 54.6 | 3% | 0.028 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 133.8 | -179.7 | -40.4 | -150.9 | -85 | 0 | 0 | 110.1 | P178 I189 S211 H212 D226 | P178-Q233 WeakPolarHBondContact CD-O 3.42Å; I189-Q233 HydrophobicContact CG2-CG 4.16Å; S211-Q233 PolarHBondContact O-OE1 3.12Å; S211-Q233 VanDerWaalsContact O-OE1 3.1Å; S211-Q233 PolarHBondContact OG-NE2 3.46Å; H212-Q233 PolarHBondContact CD2-NE2 2.85Å; H212-Q233 VanDerWaalsContact CD2-NE2 3.33Å; D226-Q233 WeakPolarHBondContact OD1-CG 3.44Å; D226-Q233 PolarHBondContact OD1-NE2 3.34Å |
| 234 | S | 96.8 | Very high | 94.1 | Very high | 6 Ų | 6 | 56.1 Ų | 56.1 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 162.5 | 175.9 | 61.1 | 0 | 0 | 0 | 0 | 111.5 | R175 A176 H212 V225 | R175-S234 PolarHBondContact NH1-OG 3.05Å; A176-S234 WeakPolarHBondContact O-CA 3.34Å; A176-S234 WeakPolarHBondContact O-CB 3.49Å; H212-S234 PolarHBondContact CE1-O 3.24Å; H212-S234 PolarHBondContact ND1-O 3.17Å; V225-S234 PolarHBondContact N-O 2.83Å; V225-S234 PolarHBondContact O-N 2.96Å; V225-S234 PolarHBondContact O-OG 3.08Å |
| 235 | V | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 134.7 | 169.8 | 62.1 | 0 | 0 | 0 | 0 | 109.1 | R175 A176 I214 V216 A222 Q223 Y224 Y253 | R175-V235 CarbonylContact C-O 3.56Å; R175-V235 VanDerWaalsContact CA-O 3.32Å; R175-V235 WeakPolarHBondContact CA-O 3.39Å; A176-V235 HydrophobicContact CB-CG1 4.1Å; A176-V235 PolarHBondContact N-O 3.27Å; A176-V235 PolarHBondContact O-N 2.95Å; I214-V235 HydrophobicContact CB-CG1 4.37Å; I214-V235 HydrophobicContact CG2-CG1 3.91Å; V216-V235 HydrophobicContact CB-CG2 4.46Å; V216-V235 HydrophobicContact CG2-CG1 4Å; V216-V235 HydrophobicContact CG2-CG2 3.79Å; A222-V235 HydrophobicContact CB-CG2 4.25Å; Q223-V235 CarbonylContact O-C 3.58Å; Q223-V235 WeakPolarHBondContact O-CA 3.47Å; Y224-V235 HydrophobicContact CD1-CB 4.07Å; Y224-V235 HydrophobicContact CD1-CG2 3.94Å; Y224-V235 HydrophobicContact CE1-CB 3.93Å; Y224-V235 HydrophobicContact CE1-CG2 3.58Å; Y224-V235 HydrophobicContact CE2-CG2 4.34Å; Y224-V235 HydrophobicContact CG-CG2 4.46Å; V235-Y253 HydrophobicContact CG1-CE1 4.14Å |
| 236 | V | 97.1 | Very high | 93.7 | Very high | 14 Ų | 14 | 58.7 Ų | 58.7 | 9% | 0.085 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 131.2 | -176.3 | -174.7 | 0 | 0 | 0 | 0 | 108.5 | A173 I174 R175 A222 Q223 V225 | A173-V236 HydrophobicContact CB-CG1 3.65Å; I174-V236 CarbonylContact O-C 3.53Å; I174-V236 WeakPolarHBondContact O-CA 3.25Å; R175-V236 HydrophobicContact CB-CG2 4.13Å; R175-V236 HydrophobicContact CG-CG2 3.97Å; R175-V236 VanDerWaalsContact CZ-CG2 3.44Å; A222-V236 CarbonylContact C-O 3.58Å; A222-V236 WeakPolarHBondContact CA-O 3.32Å; Q223-V236 HydrophobicContact CB-CB 4.46Å; Q223-V236 PolarHBondContact N-O 3.49Å; Q223-V236 PolarHBondContact O-N 2.94Å; V225-V236 HydrophobicContact CG2-CG2 4Å |
| 237 | V | 97.1 | Very high | 93.6 | Very high | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.024 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 136.1 | 175.4 | -171.4 | 0 | 0 | 0 | 0 | 107.7 | A173 I174 V216 N219 A222 I251 | A173-V237 CarbonylContact C-O 3.59Å; A173-V237 WeakPolarHBondContact CA-O 3.28Å; I174-V237 PolarHBondContact N-O 3.28Å; I174-V237 PolarHBondContact O-N 2.86Å; V216-V237 HydrophobicContact CB-CG2 4.37Å; V216-V237 HydrophobicContact CG1-CG2 4.09Å; V216-V237 HydrophobicContact CG2-CG2 3.79Å; N219-V237 HydrophobicContact CB-CG1 4.44Å; A222-V237 HydrophobicContact CB-CG2 4.18Å; V237-I251 HydrophobicContact CG2-CG2 4.46Å |
| 238 | P | 96.6 | Very high | 93.8 | Very high | 52 Ų | 52 | 61.3 Ų | 61.3 | 34% | 0.338 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53 | 141.8 | 171 | -26 | 35.7 | 0 | 0 | 0 | 111.4 | L221 E240 | L221-P238 HydrophobicContact CB-CG 3.86Å; L221-P238 HydrophobicContact CD1-CG 4.18Å; P238-E240 PolarHBondContact O-N 2.71Å |
| 239 | Y | 96.4 | Very high | 94 | Very high | 35 Ų | 35 | 56.4 Ų | 56.4 | 14% | 0.137 | 33% | 0.334 | C | S | . | . | trans | -74.5 | 115.3 | 173 | 170.9 | -92.7 | 0 | 0 | 0 | 109.5 | V164 P168 T172 I174 P241 P242 L276 | V164-Y239 HydrophobicContact CG2-CE2 4.27Å; V164-Y239 WeakPolarHBondContact CG2-OH 3.27Å; P168-Y239 VanDerWaalsContact CD-CE1 3.46Å; P168-Y239 HydrophobicContact CG-CD1 3.49Å; P168-Y239 VanDerWaalsContact CG-CD1 3.49Å; P168-Y239 HydrophobicContact CG-CD2 4.47Å; P168-Y239 HydrophobicContact CG-CE1 3.5Å; P168-Y239 VanDerWaalsContact CG-CE1 3.5Å; P168-Y239 HydrophobicContact CG-CE2 4.46Å; P168-Y239 HydrophobicContact CG-CG 4.01Å; T172-Y239 WeakPolarHBondContact O-CB 3.46Å; T172-Y239 PolarHBondContact O-N 3.04Å; I174-Y239 HydrophobicContact CD1-CD2 4.22Å; I174-Y239 HydrophobicContact CG1-CD2 4.36Å; Y239-P241 HydrophobicContact CE1-CB 4.49Å; Y239-P241 HydrophobicContact CE1-CG 4.14Å; Y239-P242 WeakPolarHBondContact OH-CD 3.32Å; Y239-L276 HydrophobicContact CD2-CD1 4.14Å; Y239-L276 HydrophobicContact CG-CD1 4.45Å | ||
| 240 | E | 94.4 | Very high | 94.4 | Very high | 89 Ų | 89 | 54.5 Ų | 54.5 | 42% | 0.416 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -99.5 | 130.3 | 170.6 | -69.2 | 170.4 | -155 | 0 | 0 | 109 | N219 P238 T249 | N219-E240 PolarHBondContact ND2-OE1 2.72Å; P238-E240 PolarHBondContact O-N 2.71Å; E240-T249 HydrophobicContact CB-CG2 4.35Å; E240-T249 WeakPolarHBondContact O-CB 3.33Å; E240-T249 WeakPolarHBondContact O-CG2 3.1Å; E240-T249 PolarHBondContact O-OG1 2.88Å |
| 241 | P | 93.4 | Very high | 94.7 | Very high | 92 Ų | 92 | 53.7 Ų | 53.7 | 60% | 0.597 | 32% | 0.316 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 152.3 | 174.4 | -24.1 | 34.1 | 0 | 0 | 0 | 113 | Y239 | Y239-P241 HydrophobicContact CE1-CB 4.49Å; Y239-P241 HydrophobicContact CE1-CG 4.14Å |
| 242 | P | 94.6 | Very high | 95 | Very high | 40 Ų | 40 | 55.4 Ų | 55.4 | 26% | 0.26 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 146.1 | 171.7 | -27.5 | 35.3 | 0 | 0 | 0 | 112.4 | Y239 T246 | Y239-P242 WeakPolarHBondContact OH-CD 3.32Å; P242-T246 WeakPolarHBondContact CB-O 3.34Å |
| 243 | Q | 90.9 | Very high | 95.1 | Very high | 159 Ų | 159 | 55 Ų | 55 | 74% | 0.743 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 156 | 176.3 | -66.5 | -176.2 | -3 | 0 | 0 | 110.5 | G245 T246 | Q243-G245 PolarHBondContact O-N 3.29Å; Q243-G245 VanDerWaalsContact O-N 3.11Å; Q243-T246 PolarHBondContact N-OG1 3.39Å; Q243-T246 PolarHBondContact O-N 3.4Å; Q243-T246 PolarHBondContact O-OG1 3.26Å |
| 244 | V | 92.1 | Very high | 95.1 | Very high | 160 Ų | 160 | 55.2 Ų | 55.2 | 97% | 0.97 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 120.4 | -179.4 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | ||
| 245 | G | 90.4 | Very high | 95.2 | Very high | 84 Ų | 84 | 55 Ų | 55 | 87% | 0.866 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96 | -2.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q243 | Q243-G245 PolarHBondContact O-N 3.29Å; Q243-G245 VanDerWaalsContact O-N 3.11Å |
| 246 | T | 92.9 | Very high | 95.1 | Very high | 62 Ų | 62 | 55 Ų | 55 | 38% | 0.38 | 32% | 0.318 | S | S | . | . | trans | -114.7 | 151.7 | 170.5 | 78.2 | 0 | 0 | 0 | 0 | 112 | P242 Q243 F248 | P242-T246 WeakPolarHBondContact CB-O 3.34Å; Q243-T246 PolarHBondContact N-OG1 3.39Å; Q243-T246 PolarHBondContact O-N 3.4Å; Q243-T246 PolarHBondContact O-OG1 3.26Å; T246-F248 PolarHBondContact OG1-O 3.01Å; T246-F248 VanDerWaalsContact OG1-O 3.06Å | ||
| 247 | E | 92.4 | Very high | 95.1 | Very high | 125 Ų | 125 | 54.3 Ų | 54.3 | 58% | 0.584 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -94.2 | -4.5 | 175.1 | -62.2 | -168.8 | 103.4 | 0 | 0 | 113.6 | K163 | K163-E247 HydrophobicContact CD-CB 4.4Å; K163-E247 IonicContact NZ-OE1 2.65Å; K163-E247 PolarHBondContact NZ-OE1 2.97Å; K163-E247 IonicContact NZ-OE2 2.65Å; K163-E247 PolarHBondContact NZ-OE2 3.12Å |
| 248 | F | 95.4 | Very high | 95.1 | Very high | 62 Ų | 62 | 55.7 Ų | 55.7 | 27% | 0.272 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 152.3 | -168.8 | 55.6 | -98 | 0 | 0 | 0 | 111.8 | Q161 I162 K163 T246 | Q161-F248 HydrophobicContact CB-CB 4.23Å; Q161-F248 HydrophobicContact CB-CD2 4.01Å; Q161-F248 HydrophobicContact CB-CG 4.15Å; Q161-F248 HydrophobicContact CG-CD2 3.67Å; Q161-F248 HydrophobicContact CG-CE2 3.93Å; Q161-F248 HydrophobicContact CG-CG 4.19Å; Q161-F248 VanDerWaalsContact NE2-CE2 3.26Å; I162-F248 VanDerWaalsContact O-CA 3.24Å; I162-F248 WeakPolarHBondContact O-CA 3.48Å; I162-F248 WeakPolarHBondContact O-CB 3.41Å; K163-F248 HydrophobicContact CB-CB 4.44Å; T246-F248 PolarHBondContact OG1-O 3.01Å; T246-F248 VanDerWaalsContact OG1-O 3.06Å |
| 249 | T | 95.7 | Very high | 95.1 | Very high | 24 Ų | 24 | 54.1 Ų | 54.1 | 15% | 0.147 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 132.9 | 170.1 | -54.3 | 0 | 0 | 0 | 0 | 108.2 | I162 E240 | I162-T249 PolarHBondContact N-O 3.3Å; I162-T249 PolarHBondContact O-N 3.29Å; E240-T249 HydrophobicContact CB-CG2 4.35Å; E240-T249 WeakPolarHBondContact O-CB 3.33Å; E240-T249 WeakPolarHBondContact O-CG2 3.1Å; E240-T249 PolarHBondContact O-OG1 2.88Å |
| 250 | T | 96.4 | Very high | 95.1 | Very high | 62 Ų | 62 | 55.4 Ų | 55.4 | 38% | 0.38 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 123.1 | -178.6 | -56 | 0 | 0 | 0 | 0 | 110.4 | P159 I160 L252 | P159-T250 HydrophobicContact CB-CG2 3.61Å; I160-T250 WeakPolarHBondContact O-CA 3.44Å; T250-L252 HydrophobicContact CG2-CD2 4.25Å |
| 251 | I | 97.5 | Very high | 95.2 | Very high | 15 Ų | 15 | 52.1 Ų | 52.1 | 8% | 0.077 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 130.9 | 172.2 | -55.5 | 176.8 | 0 | 0 | 0 | 108.4 | I160 I162 I174 V216 V237 Y253 | I160-I251 PolarHBondContact N-O 3.42Å; I160-I251 PolarHBondContact O-N 2.99Å; I162-I251 HydrophobicContact CG1-CD1 3.92Å; I162-I251 HydrophobicContact CG1-CG1 4.22Å; I174-I251 HydrophobicContact CB-CD1 3.92Å; I174-I251 HydrophobicContact CG1-CD1 4.11Å; I174-I251 HydrophobicContact CG2-CD1 3.74Å; V216-I251 HydrophobicContact CG1-CG2 3.99Å; V216-I251 HydrophobicContact CG2-CG2 4.16Å; V237-I251 HydrophobicContact CG2-CG2 4.46Å; I251-Y253 HydrophobicContact CB-CD2 4.17Å; I251-Y253 HydrophobicContact CB-CE2 3.62Å; I251-Y253 HydrophobicContact CG2-CD1 4.4Å; I251-Y253 HydrophobicContact CG2-CD2 3.92Å; I251-Y253 HydrophobicContact CG2-CE1 3.98Å; I251-Y253 HydrophobicContact CG2-CE2 3.48Å; I251-Y253 VanDerWaalsContact CG2-CE2 3.48Å; I251-Y253 HydrophobicContact CG2-CG 4.39Å |
| 252 | L | 97 | Very high | 95.2 | Very high | 61 Ų | 61 | 53.1 Ų | 53.1 | 32% | 0.319 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 106.9 | -179.7 | -58.5 | -177.9 | 0 | 0 | 0 | 109.1 | T157 P159 V216 E217 T250 | T157-L252 HydrophobicContact CG2-CB 3.73Å; T157-L252 HydrophobicContact CG2-CD1 4.22Å; T157-L252 HydrophobicContact CG2-CD2 4.09Å; T157-L252 HydrophobicContact CG2-CG 4.22Å; P159-L252 HydrophobicContact CB-CD2 3.93Å; V216-L252 CarbonylContact C-O 3.54Å; V216-L252 VanDerWaalsContact CA-O 3.3Å; V216-L252 WeakPolarHBondContact CA-O 3.47Å; E217-L252 HydrophobicContact CB-CB 4.09Å; E217-L252 PolarHBondContact N-O 3.15Å; T250-L252 HydrophobicContact CG2-CD2 4.25Å |
| 253 | Y | 97.7 | Very high | 94.9 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.008 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 143 | -178.8 | -70.5 | -78.6 | 0 | 0 | 0 | 112.6 | C158 I160 A176 I214 R215 V216 V235 I251 I274 | C158-Y253 WeakPolarHBondContact CA-O 3.21Å; C158-Y253 VanDerWaalsContact CB-O 3.3Å; C158-Y253 WeakPolarHBondContact CB-O 3.35Å; C158-Y253 PolarHBondContact N-O 2.65Å; C158-Y253 PolarHBondContact O-N 3.37Å; I160-Y253 HydrophobicContact CB-CD2 3.86Å; I160-Y253 HydrophobicContact CB-CE2 4.05Å; I160-Y253 HydrophobicContact CD1-CD2 3.64Å; I160-Y253 HydrophobicContact CD1-CE2 4.2Å; I160-Y253 HydrophobicContact CD1-CG 4.38Å; I160-Y253 HydrophobicContact CG1-CD2 3.81Å; I160-Y253 HydrophobicContact CG1-CE2 4.43Å; A176-Y253 HydrophobicContact CB-CE1 3.65Å; I214-Y253 HydrophobicContact CG2-CD1 3.65Å; I214-Y253 HydrophobicContact CG2-CE1 4.25Å; R215-Y253 CarbonylContact O-C 3.45Å; R215-Y253 WeakPolarHBondContact O-CA 3.45Å; V216-Y253 HydrophobicContact CG2-CD1 3.7Å; V216-Y253 HydrophobicContact CG2-CE1 3.6Å; V235-Y253 HydrophobicContact CG1-CE1 4.14Å; I251-Y253 HydrophobicContact CB-CD2 4.17Å; I251-Y253 HydrophobicContact CB-CE2 3.62Å; I251-Y253 HydrophobicContact CG2-CD1 4.4Å; I251-Y253 HydrophobicContact CG2-CD2 3.92Å; I251-Y253 HydrophobicContact CG2-CE1 3.98Å; I251-Y253 HydrophobicContact CG2-CE2 3.48Å; I251-Y253 VanDerWaalsContact CG2-CE2 3.48Å; I251-Y253 HydrophobicContact CG2-CG 4.39Å; Y253-I274 HydrophobicContact CE2-CD1 4.35Å |
| 254 | N | 96 | Very high | 95 | Very high | 11 Ų | 11 | 47 Ų | 47 | 6% | 0.059 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 133 | 179.6 | -56.5 | 55.6 | 0 | 0 | 0 | 108.9 | A155 T157 R215 E217 M256 | A155-N254 PolarHBondContact O-ND2 2.76Å; T157-N254 PolarHBondContact N-ND2 2.8Å; R215-N254 PolarHBondContact N-O 3.15Å; R215-N254 PolarHBondContact O-N 3.08Å; E217-N254 VanDerWaalsContact CB-OD1 3.31Å; E217-N254 WeakPolarHBondContact CB-OD1 3.42Å; E217-N254 PolarHBondContact OE2-ND2 2.79Å; E217-N254 PolarHBondContact OE2-OD1 3.24Å; N254-M256 HydrophobicContact CB-SD 3.74Å |
| 255 | F | 97.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.009 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 114.2 | -176 | -65.4 | -94.1 | 0 | 0 | 0 | 111 | L150 I154 A155 C158 L213 I214 C257 V272 I293 | L150-F255 HydrophobicContact CD2-CE2 3.85Å; L150-F255 HydrophobicContact CD2-CZ 4.1Å; I154-F255 WeakPolarHBondContact CA-O 3.4Å; A155-F255 PolarHBondContact N-O 3.17Å; C158-F255 HydrophobicContact CB-CE2 4.36Å; L213-F255 WeakPolarHBondContact O-CA 3.44Å; I214-F255 HydrophobicContact CD1-CE1 3.9Å; I214-F255 HydrophobicContact CG1-CD1 4.02Å; I214-F255 HydrophobicContact CG1-CE1 3.83Å; F255-C257 PolarHBondContact O-N 3.22Å; F255-V272 HydrophobicContact CE1-CG2 3.87Å; F255-V272 HydrophobicContact CZ-CG2 4.28Å; F255-I293 HydrophobicContact CB-CD1 4.26Å; F255-I293 HydrophobicContact CB-CG1 3.46Å; F255-I293 VanDerWaalsContact CB-CG1 3.46Å; F255-I293 HydrophobicContact CB-CG2 4.45Å; F255-I293 HydrophobicContact CD1-CD1 4.2Å; F255-I293 HydrophobicContact CD1-CG1 4.31Å; F255-I293 HydrophobicContact CG-CD1 4.44Å; F255-I293 HydrophobicContact CG-CG1 4.07Å |
| 256 | M | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -96.7 | 13.9 | -156.2 | -49.8 | -53.7 | -67.7 | 0 | 0 | 115.2 | A155 R192 F202 L213 R215 N254 | A155-M256 HydrophobicContact CB-CE 3.8Å; A155-M256 HydrophobicContact CB-SD 4.11Å; R192-M256 PolarHBondContact NE-O 2.87Å; R192-M256 PolarHBondContact NH2-O 2.88Å; F202-M256 HydrophobicContact CB-CE 4.01Å; L213-M256 PolarHBondContact O-N 3.07Å; R215-M256 HydrophobicContact CB-CG 4.25Å; R215-M256 HydrophobicContact CB-SD 4.36Å; R215-M256 HydrophobicContact CG-CG 3.75Å; R215-M256 HydrophobicContact CG-SD 4.36Å; N254-M256 HydrophobicContact CB-SD 3.74Å | ||
| 257 | C | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -153.1 | 142 | 175.2 | -172.1 | 0 | 0 | 0 | 0 | 110.4 | R192 H196 L213 F255 C261 M265 I293 | R192-C257 HydrophobicContact CB-CB 4.15Å; R192-C257 HydrophobicContact CG-CB 4.02Å; H196-C257 PolarHBondContact ND1-SG 2.69Å; H196-C257 VanDerWaalsContact ND1-SG 3.4Å; L213-C257 HydrophobicContact CD1-CB 3.68Å; F255-C257 PolarHBondContact O-N 3.22Å; C257-C261 VanDerWaalsContact SG-CB 3.51Å; C257-C261 VanDerWaalsContact SG-SG 3.69Å; C257-M265 HydrophobicContact CB-CE 4.15Å; C257-M265 WeakPolarHBondContact O-CE 3.28Å; C257-I293 WeakPolarHBondContact O-CB 3.34Å; C257-I293 WeakPolarHBondContact O-CG1 3.24Å; C257-I293 WeakPolarHBondContact O-CG2 3.38Å |
| 258 | N | 97.1 | Very high | 95.6 | Very high | 33 Ų | 33 | 43 Ų | 43 | 18% | 0.176 | 24% | 0.238 | C | C | . | . | trans | -72.4 | 145.3 | 175.9 | -75.1 | -66.3 | 0 | 0 | 0 | 111.4 | S260 C261 | N258-S260 PolarHBondContact O-N 2.7Å; N258-S260 VanDerWaalsContact O-N 3.07Å; N258-C261 WeakPolarHBondContact O-CB 3.46Å; N258-C261 PolarHBondContact O-N 2.93Å; N258-C261 VanDerWaalsContact O-N 3.08Å | ||
| 259 | S | 96.9 | Very high | 95.7 | Very high | 19 Ų | 19 | 42.1 Ų | 42.1 | 13% | 0.133 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -30.8 | 179.4 | -43.8 | 0 | 0 | 0 | 0 | 112.4 | C261 R267 I293 | S259-C261 VanDerWaalsContact C-N 3.35Å; S259-C261 PolarHBondContact O-N 2.98Å; S259-R267 WeakPolarHBondContact O-CA 3.39Å; S259-R267 PolarHBondContact O-N 3.48Å; S259-I293 WeakPolarHBondContact CB-O 3.44Å; S259-I293 PolarHBondContact N-O 2.89Å; S259-I293 PolarHBondContact OG-N 2.9Å; S259-I293 PolarHBondContact OG-O 2.77Å |
| 260 | S | 96.6 | Very high | 95.8 | Very high | 61 Ų | 61 | 41 Ų | 41 | 43% | 0.427 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 3.9 | -177.4 | 58.2 | 0 | 0 | 0 | 0 | 115.2 | N258 V262 | N258-S260 PolarHBondContact O-N 2.7Å; N258-S260 VanDerWaalsContact O-N 3.07Å; S260-V262 PolarHBondContact O-N 3.3Å |
| 261 | C | 95.9 | Very high | 95.9 | Very high | 20 Ų | 20 | 38.7 Ų | 38.7 | 14% | 0.135 | 22% | 0.216 | C | C | . | . | trans | -72.8 | 119.1 | -177.1 | -75.6 | 0 | 0 | 0 | 0 | 112.8 | C193 H196 C257 N258 S259 G264 N266 | C193-C261 HydrophobicContact CB-CB 3.99Å; H196-C261 PolarHBondContact CE1-SG 3.1Å; C257-C261 VanDerWaalsContact SG-CB 3.51Å; C257-C261 VanDerWaalsContact SG-SG 3.69Å; N258-C261 WeakPolarHBondContact O-CB 3.46Å; N258-C261 PolarHBondContact O-N 2.93Å; N258-C261 VanDerWaalsContact O-N 3.08Å; S259-C261 VanDerWaalsContact C-N 3.35Å; S259-C261 PolarHBondContact O-N 2.98Å; C261-G264 CarbonylContact O-C 3.6Å; C261-G264 PolarHBondContact O-N 3.18Å; C261-N266 VanDerWaalsContact O-CA 3.28Å; C261-N266 WeakPolarHBondContact O-CA 3.48Å; C261-N266 PolarHBondContact O-N 2.78Å | ||
| 262 | V | 94.1 | Very high | 95.9 | Very high | 114 Ų | 114 | 38.1 Ų | 38.1 | 69% | 0.691 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 143.4 | 167 | -174.8 | 0 | 0 | 0 | 0 | 109.3 | C193 S260 G264 | C193-V262 WeakPolarHBondContact CB-O 3.38Å; S260-V262 PolarHBondContact O-N 3.3Å; V262-G264 PolarHBondContact O-N 3.14Å |
| 263 | G | 89.2 | Confident | 95.9 | Very high | 56 Ų | 56 | 35.4 Ų | 35.4 | 58% | 0.577 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | -1.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | P194 | P194-G263 WeakPolarHBondContact CD-O 3.37Š|
| 264 | G | 91.6 | Very high | 96 | Very high | 14 Ų | 14 | 35.3 Ų | 35.3 | 14% | 0.144 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | -129.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | C261 V262 N266 | C261-G264 CarbonylContact O-C 3.6Å; C261-G264 PolarHBondContact O-N 3.18Å; V262-G264 PolarHBondContact O-N 3.14Å; G264-N266 PolarHBondContact O-N 2.9Å |
| 265 | M | 95.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -25.9 | 178.4 | -73.7 | 179.3 | -80.1 | 0 | 0 | 115.2 | Y180 V190 L213 C257 R267 R268 I270 I293 | Y180-M265 HydrophobicContact CE1-CB 4.42Å; Y180-M265 HydrophobicContact CE1-CG 4.28Å; V190-M265 HydrophobicContact CG1-CG 3.96Å; V190-M265 HydrophobicContact CG1-SD 4.43Å; L213-M265 HydrophobicContact CD1-CE 3.7Å; L213-M265 HydrophobicContact CD2-CE 3.9Å; L213-M265 HydrophobicContact CD2-CG 4.49Å; L213-M265 HydrophobicContact CD2-SD 3.75Å; L213-M265 HydrophobicContact CG-CE 4.49Å; C257-M265 HydrophobicContact CB-CE 4.15Å; C257-M265 WeakPolarHBondContact O-CE 3.28Å; M265-R267 VanDerWaalsContact C-N 3.34Å; M265-R267 PolarHBondContact O-N 2.92Å; M265-R267 VanDerWaalsContact O-N 3.14Å; M265-R268 WeakPolarHBondContact O-CB 3.45Å; M265-R268 VanDerWaalsContact O-CG 3.3Å; M265-R268 WeakPolarHBondContact O-CG 3.41Å; M265-R268 PolarHBondContact O-N 2.94Å; M265-I270 HydrophobicContact CG-CG2 4.19Å; M265-I270 HydrophobicContact SD-CD1 3.91Å; M265-I270 HydrophobicContact SD-CG1 4.29Å; M265-I270 HydrophobicContact SD-CG2 3.94Å; M265-I293 HydrophobicContact CE-CD1 3.99Å; M265-I293 HydrophobicContact CE-CG1 4.47Å; M265-I293 HydrophobicContact SD-CD1 4.23Å |
| 266 | N | 95.4 | Very high | 96.1 | Very high | 80 Ų | 80 | 35.2 Ų | 35.2 | 43% | 0.428 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 43.8 | 50.6 | 173.2 | -163.4 | 23.7 | 0 | 0 | 0 | 115.1 | C261 G264 R268 | C261-N266 VanDerWaalsContact O-CA 3.28Å; C261-N266 WeakPolarHBondContact O-CA 3.48Å; C261-N266 PolarHBondContact O-N 2.78Å; G264-N266 PolarHBondContact O-N 2.9Å; N266-R268 PolarHBondContact O-N 3.37Å; N266-R268 VanDerWaalsContact O-N 3.13Å |
| 267 | R | 95.2 | Very high | 96.2 | Very high | 197 Ų | 197 | 35.8 Ų | 35.8 | 74% | 0.743 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 4.6 | -178.3 | -55.8 | 175.4 | 178.2 | -103.9 | 1.7 | 115.8 | S259 M265 | S259-R267 WeakPolarHBondContact O-CA 3.39Å; S259-R267 PolarHBondContact O-N 3.48Å; M265-R267 VanDerWaalsContact C-N 3.34Å; M265-R267 PolarHBondContact O-N 2.92Å; M265-R267 VanDerWaalsContact O-N 3.14Å |
| 268 | R | 96.3 | Very high | 96.1 | Very high | 71 Ų | 71 | 36.8 Ų | 36.8 | 27% | 0.268 | 21% | 0.208 | S | C | . | . | trans | -72.1 | 126.7 | 172.5 | -57.1 | 165.6 | 166.4 | -161.5 | -6.3 | 109 | Y180 H185 D188 M265 N266 | Y180-R268 HydrophobicContact CD1-CB 3.55Å; Y180-R268 HydrophobicContact CD1-CG 4.48Å; Y180-R268 HydrophobicContact CE1-CB 3.68Å; Y180-R268 HydrophobicContact CE1-CG 4.41Å; H185-R268 WeakPolarHBondContact CD2-CD 3.47Å; H185-R268 VanDerWaalsContact CD2-CZ 3.45Å; H185-R268 PolarHBondContact CD2-NE 3.16Å; H185-R268 VanDerWaalsContact CE1-CZ 3.42Å; H185-R268 PolarHBondContact CE1-NH2 2.89Å; H185-R268 PolarHBondContact ND1-NH2 3.15Å; H185-R268 PolarHBondContact NE2-NE 3.4Å; H185-R268 VanDerWaalsContact NE2-NE 3.12Å; H185-R268 PolarHBondContact NE2-NH2 2.68Å; D188-R268 IonicContact OD2-CZ 3.22Å; D188-R268 IonicContact OD2-NH1 2.7Å; D188-R268 PolarHBondContact OD2-NH1 2.85Å; D188-R268 IonicContact OD2-NH2 3.16Å; M265-R268 WeakPolarHBondContact O-CB 3.45Å; M265-R268 VanDerWaalsContact O-CG 3.3Å; M265-R268 WeakPolarHBondContact O-CG 3.41Å; M265-R268 PolarHBondContact O-N 2.94Å; N266-R268 PolarHBondContact O-N 3.37Å; N266-R268 VanDerWaalsContact O-N 3.13Å | ||
| 269 | P | 96.4 | Very high | 95.8 | Very high | 42 Ų | 42 | 46 Ų | 46 | 27% | 0.273 | 24% | 0.24 | S | C | . | . | trans | -68.6 | 143.2 | 177.5 | 26.9 | -32.8 | 0 | 0 | 0 | 111 | K181 | K181-P269 HydrophobicContact CB-CB 4.27Å; K181-P269 HydrophobicContact CB-CG 4.22Å; K181-P269 WeakPolarHBondContact CB-O 3.31Å; K181-P269 PolarHBondContact N-O 3.36Å | ||
| 270 | I | 97.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 149 | 177.2 | 61.3 | 164.4 | 0 | 0 | 0 | 111.4 | P178 V179 Y180 V190 L213 M265 E290 G291 I293 | P178-I270 HydrophobicContact CB-CD1 4.32Å; V179-I270 CarbonylContact O-C 3.57Å; V179-I270 WeakPolarHBondContact O-CA 3.21Å; V179-I270 WeakPolarHBondContact O-CB 3.49Å; Y180-I270 HydrophobicContact CD1-CG2 3.77Å; Y180-I270 HydrophobicContact CE1-CG2 4Å; V190-I270 HydrophobicContact CG1-CG2 4.02Å; V190-I270 HydrophobicContact CG2-CG2 3.96Å; L213-I270 HydrophobicContact CD2-CD1 3.86Å; M265-I270 HydrophobicContact CG-CG2 4.19Å; M265-I270 HydrophobicContact SD-CD1 3.91Å; M265-I270 HydrophobicContact SD-CG1 4.29Å; M265-I270 HydrophobicContact SD-CG2 3.94Å; I270-E290 CarbonylContact O-C 3.58Å; I270-E290 WeakPolarHBondContact O-CA 3.49Å; I270-E290 WeakPolarHBondContact O-CG 3.38Å; I270-G291 WeakPolarHBondContact CG1-O 3.44Å; I270-G291 PolarHBondContact O-N 2.83Å; I270-I293 HydrophobicContact CD1-CD1 4.14Å |
| 271 | L | 97.8 | Very high | 94.9 | Very high | 14 Ų | 14 | 51.3 Ų | 51.3 | 7% | 0.073 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 139.3 | 157.8 | -61 | 175.4 | 0 | 0 | 0 | 108.2 | N117 P178 V179 K181 F289 E290 | N117-L271 HydrophobicContact CB-CD1 3.8Å; N117-L271 WeakPolarHBondContact ND2-CD1 3.46Å; P178-L271 WeakPolarHBondContact CA-O 3.47Å; V179-L271 HydrophobicContact CG2-CB 4.01Å; V179-L271 PolarHBondContact N-O 3.4Å; V179-L271 PolarHBondContact O-N 2.61Å; K181-L271 HydrophobicContact CB-CD2 4.32Å; K181-L271 HydrophobicContact CB-CG 3.93Å; K181-L271 HydrophobicContact CD-CD2 3.94Å; K181-L271 HydrophobicContact CD-CG 4.45Å; K181-L271 HydrophobicContact CG-CD1 4.34Å; K181-L271 HydrophobicContact CG-CD2 4.02Å; K181-L271 HydrophobicContact CG-CG 4Å; L271-F289 CarbonylContact C-O 3.59Å; L271-F289 WeakPolarHBondContact CA-O 3.36Å; L271-E290 HydrophobicContact CD2-CB 4.23Å |
| 272 | V | 98.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.012 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 120.1 | 161.2 | -176.9 | 0 | 0 | 0 | 0 | 106.5 | I214 F255 I274 S288 F289 | I214-V272 HydrophobicContact CD1-CG1 3.88Å; I214-V272 HydrophobicContact CD1-CG2 4.2Å; F255-V272 HydrophobicContact CE1-CG2 3.87Å; F255-V272 HydrophobicContact CZ-CG2 4.28Å; V272-I274 HydrophobicContact CG1-CG1 4.16Å; V272-S288 WeakPolarHBondContact O-CA 3.33Å; V272-F289 HydrophobicContact CB-CD2 4.28Å; V272-F289 HydrophobicContact CB-CE1 4.03Å; V272-F289 HydrophobicContact CB-CE2 3.74Å; V272-F289 HydrophobicContact CB-CZ 3.6Å; V272-F289 HydrophobicContact CG1-CE1 4.12Å; V272-F289 HydrophobicContact CG1-CE2 4.37Å; V272-F289 HydrophobicContact CG1-CZ 3.76Å; V272-F289 HydrophobicContact CG2-CE2 3.86Å; V272-F289 HydrophobicContact CG2-CZ 4.1Å; V272-F289 PolarHBondContact N-O 2.93Å; V272-F289 PolarHBondContact O-N 2.89Å; V272-F289 VanDerWaalsContact O-N 3.15Å |
| 273 | I | 97.9 | Very high | 94.9 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 125.8 | 170.8 | -56.2 | 174.7 | 0 | 0 | 0 | 106.6 | P115 N117 A176 M177 V179 T275 R286 | P115-I273 HydrophobicContact CB-CD1 4.38Å; P115-I273 HydrophobicContact CG-CD1 4.33Å; N117-I273 HydrophobicContact CB-CD1 4.23Å; A176-I273 WeakPolarHBondContact CA-O 3.38Å; M177-I273 PolarHBondContact N-O 2.94Å; M177-I273 PolarHBondContact O-N 3.41Å; V179-I273 HydrophobicContact CG1-CD1 4.3Å; V179-I273 HydrophobicContact CG2-CD1 3.9Å; V179-I273 HydrophobicContact CG2-CG1 4.26Å; I273-T275 HydrophobicContact CG2-CG2 4.38Å; I273-R286 HydrophobicContact CG2-CG 3.9Å |
| 274 | I | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 126.2 | 168.4 | -54.4 | -172 | 0 | 0 | 0 | 108.5 | F126 V128 I160 I162 I174 R175 A176 Y253 V272 R286 R287 F289 | F126-I274 HydrophobicContact CE1-CG2 4.39Å; F126-I274 HydrophobicContact CZ-CG2 3.88Å; V128-I274 HydrophobicContact CG1-CD1 4.21Å; V128-I274 HydrophobicContact CG2-CB 4.22Å; V128-I274 HydrophobicContact CG2-CD1 4.3Å; V128-I274 HydrophobicContact CG2-CG2 4.37Å; I160-I274 HydrophobicContact CG2-CD1 4.21Å; I162-I274 HydrophobicContact CD1-CG2 4.38Å; I174-I274 HydrophobicContact CG2-CG2 3.59Å; R175-I274 CarbonylContact O-C 3.55Å; R175-I274 VanDerWaalsContact O-CA 3.25Å; R175-I274 WeakPolarHBondContact O-CA 3.33Å; A176-I274 HydrophobicContact CB-CG1 4.33Å; Y253-I274 HydrophobicContact CE2-CD1 4.35Å; V272-I274 HydrophobicContact CG1-CG1 4.16Å; I274-R286 WeakPolarHBondContact O-CA 3.21Å; I274-R287 PolarHBondContact N-O 3.08Å; I274-R287 PolarHBondContact O-N 3.12Å; I274-F289 HydrophobicContact CD1-CE1 3.81Å; I274-F289 HydrophobicContact CD1-CZ 4.37Å; I274-F289 HydrophobicContact CG1-CE1 4.11Å |
| 275 | T | 98.2 | Very high | 95.6 | Very high | 12 Ų | 12 | 51.3 Ų | 51.3 | 7% | 0.074 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 140.9 | 174.3 | 38.4 | 0 | 0 | 0 | 0 | 111.6 | I174 R175 I273 E277 V283 G285 R286 | I174-T275 CarbonylContact C-O 3.55Å; I174-T275 WeakPolarHBondContact CA-O 3.39Å; R175-T275 PolarHBondContact N-O 2.79Å; R175-T275 PolarHBondContact O-N 2.96Å; I273-T275 HydrophobicContact CG2-CG2 4.38Å; T275-E277 WeakPolarHBondContact CB-OE2 3.45Å; T275-E277 PolarHBondContact OG1-OE2 3.09Å; T275-V283 HydrophobicContact CG2-CG1 3.78Å; T275-V283 HydrophobicContact CG2-CG2 4.06Å; T275-G285 CarbonylContact C-O 3.27Å; T275-G285 WeakPolarHBondContact CA-O 3.45Å; T275-R286 HydrophobicContact CG2-CB 4.04Å; T275-R286 HydrophobicContact CG2-CG 3.85Å |
| 276 | L | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 123.1 | 157.4 | -176.7 | 76.2 | 0 | 0 | 0 | 106.4 | H124 F126 V164 P168 T172 A173 I174 Y239 V283 L284 G285 | H124-L276 HydrophobicContact CB-CD2 4.11Å; F126-L276 HydrophobicContact CB-CD2 4.3Å; F126-L276 HydrophobicContact CD1-CB 4.44Å; F126-L276 HydrophobicContact CD2-CB 3.57Å; F126-L276 HydrophobicContact CD2-CD1 4.28Å; F126-L276 HydrophobicContact CD2-CD2 3.98Å; F126-L276 HydrophobicContact CD2-CG 4.16Å; F126-L276 HydrophobicContact CE2-CB 3.74Å; F126-L276 HydrophobicContact CE2-CD1 4.32Å; F126-L276 HydrophobicContact CE2-CG 4.49Å; F126-L276 HydrophobicContact CG-CB 3.93Å; F126-L276 HydrophobicContact CG-CD2 4.41Å; F126-L276 HydrophobicContact CZ-CB 4.26Å; V164-L276 HydrophobicContact CG1-CD2 4.14Å; P168-L276 HydrophobicContact CB-CD2 4.33Å; P168-L276 HydrophobicContact CG-CD1 4.4Å; T172-L276 HydrophobicContact CG2-CD1 3.39Å; T172-L276 HydrophobicContact CG2-CG 3.72Å; A173-L276 WeakPolarHBondContact O-CA 3.39Å; I174-L276 HydrophobicContact CD1-CB 4.36Å; I174-L276 HydrophobicContact CD1-CD1 3.48Å; I174-L276 VanDerWaalsContact CD1-CD1 3.48Å; Y239-L276 HydrophobicContact CD2-CD1 4.14Å; Y239-L276 HydrophobicContact CG-CD1 4.45Å; L276-V283 CarbonylContact O-C 3.55Å; L276-L284 HydrophobicContact CD2-CB 3.97Å; L276-L284 HydrophobicContact CG-CB 4.12Å; L276-L284 PolarHBondContact O-N 2.62Å; L276-G285 PolarHBondContact N-O 3.49Å; L276-G285 PolarHBondContact O-N 2.95Å; L276-G285 VanDerWaalsContact O-N 3.12Å |
| 277 | E | 97.1 | Very high | 95.9 | Very high | 12 Ų | 12 | 51.3 Ų | 51.3 | 6% | 0.056 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 146.6 | -170.8 | 57.5 | -171.3 | -119.8 | 0 | 0 | 113.1 | T172 A173 R175 T275 Q282 | T172-E277 CarbonylContact C-O 3.57Å; T172-E277 WeakPolarHBondContact CA-O 3.34Å; T172-E277 WeakPolarHBondContact CG2-O 3.47Å; A173-E277 PolarHBondContact N-O 3.11Å; A173-E277 PolarHBondContact O-N 2.89Å; R175-E277 VanDerWaalsContact CB-OE2 3.28Å; R175-E277 WeakPolarHBondContact CB-OE2 3.32Å; R175-E277 IonicContact CZ-OE1 3.33Å; R175-E277 IonicContact NE-OE1 2.7Å; R175-E277 PolarHBondContact NE-OE1 3.25Å; R175-E277 IonicContact NE-OE2 2.74Å; R175-E277 PolarHBondContact NE-OE2 3.06Å; R175-E277 IonicContact NH2-OE1 3Å; R175-E277 PolarHBondContact NH2-OE1 3.33Å; T275-E277 WeakPolarHBondContact CB-OE2 3.45Å; T275-E277 PolarHBondContact OG1-OE2 3.09Å; E277-Q282 CarbonylContact C-O 3.51Å; E277-Q282 VanDerWaalsContact CA-O 3.23Å; E277-Q282 WeakPolarHBondContact CA-O 3.18Å |
| 278 | T | 95.7 | Very high | 96 | Very high | 21 Ų | 21 | 43.1 Ų | 43.1 | 13% | 0.129 | 22% | 0.215 | C | C | . | . | trans | -68.8 | 164.8 | 171.7 | 69.5 | 0 | 0 | 0 | 0 | 110.9 | D280 G281 Q282 L284 | T278-D280 PolarHBondContact O-N 3.26Å; T278-D280 VanDerWaalsContact O-N 3.08Å; T278-D280 PolarHBondContact OG1-N 2.96Å; T278-G281 PolarHBondContact O-N 3.22Å; T278-Q282 HydrophobicContact CG2-CB 4.06Å; T278-Q282 PolarHBondContact N-O 3.37Å; T278-Q282 WeakPolarHBondContact OG1-CB 3.45Å; T278-Q282 PolarHBondContact OG1-N 3.04Å; T278-Q282 VanDerWaalsContact OG1-N 3.15Å; T278-L284 HydrophobicContact CG2-CD1 3.92Å; T278-L284 HydrophobicContact CG2-CD2 3.97Å; T278-L284 HydrophobicContact CG2-CG 3.94Å | ||
| 279 | R | 89.6 | Confident | 96 | Very high | 226 Ų | 226 | 40 Ų | 40 | 85% | 0.853 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | -30.1 | 170.4 | -174 | 178.7 | -178.8 | -174.6 | 0.3 | 113.4 | G281 | R279-G281 VanDerWaalsContact C-N 3.3Š|
| 280 | D | 88.3 | Confident | 96.1 | Very high | 149 Ų | 149 | 39.1 Ų | 39.1 | 80% | 0.797 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | 7 | -178.8 | -38.3 | -68.1 | 0 | 0 | 0 | 112.9 | T278 | T278-D280 PolarHBondContact O-N 3.26Å; T278-D280 VanDerWaalsContact O-N 3.08Å; T278-D280 PolarHBondContact OG1-N 2.96Å |
| 281 | G | 86.9 | Confident | 96.1 | Very high | 43 Ų | 43 | 39.3 Ų | 39.3 | 44% | 0.443 | 20% | 0.198 | S | C | . | . | trans | 82.1 | 8.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | T278 R279 V283 | T278-G281 PolarHBondContact O-N 3.22Å; R279-G281 VanDerWaalsContact C-N 3.3Å; G281-V283 PolarHBondContact O-N 3.49Å | ||
| 282 | Q | 93.8 | Very high | 96.1 | Very high | 129 Ų | 129 | 41.8 Ų | 41.8 | 60% | 0.603 | 21% | 0.206 | S | C | * | . | trans | -73.5 | 116.9 | 177.3 | -171 | -175.1 | 38.7 | 0 | 0 | 110.2 | E277 T278 L284 | E277-Q282 CarbonylContact C-O 3.51Å; E277-Q282 VanDerWaalsContact CA-O 3.23Å; E277-Q282 WeakPolarHBondContact CA-O 3.18Å; T278-Q282 HydrophobicContact CG2-CB 4.06Å; T278-Q282 PolarHBondContact N-O 3.37Å; T278-Q282 WeakPolarHBondContact OG1-CB 3.45Å; T278-Q282 PolarHBondContact OG1-N 3.04Å; T278-Q282 VanDerWaalsContact OG1-N 3.15Å; Q282-L284 PolarHBondContact O-N 3.48Å; Q282-L284 VanDerWaalsContact O-N 3.14Å | ||
| 283 | V | 96.4 | Very high | 96.1 | Very high | 57 Ų | 57 | 41.8 Ų | 41.8 | 35% | 0.345 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 106.4 | 179.7 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | T275 L276 G281 G285 R286 | T275-V283 HydrophobicContact CG2-CG1 3.78Å; T275-V283 HydrophobicContact CG2-CG2 4.06Å; L276-V283 CarbonylContact O-C 3.55Å; G281-V283 PolarHBondContact O-N 3.49Å; V283-G285 WeakPolarHBondContact CG1-O 3.4Å; V283-R286 HydrophobicContact CG1-CB 4.18Å |
| 284 | L | 97.1 | Very high | 96.1 | Very high | 17 Ų | 17 | 42.1 Ų | 42.1 | 9% | 0.089 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | -17.6 | 174.6 | -60.2 | -177.1 | 0 | 0 | 0 | 113.2 | G122 P123 P168 P169 T172 L276 T278 Q282 | G122-L284 WeakPolarHBondContact CA-O 3.35Å; P123-L284 WeakPolarHBondContact CD-O 3.47Å; P168-L284 HydrophobicContact CB-CD1 4.33Å; P169-L284 HydrophobicContact CG-CD1 4.45Å; T172-L284 HydrophobicContact CG2-CD1 4.14Å; L276-L284 HydrophobicContact CD2-CB 3.97Å; L276-L284 HydrophobicContact CG-CB 4.12Å; L276-L284 PolarHBondContact O-N 2.62Å; T278-L284 HydrophobicContact CG2-CD1 3.92Å; T278-L284 HydrophobicContact CG2-CD2 3.97Å; T278-L284 HydrophobicContact CG2-CG 3.94Å; Q282-L284 PolarHBondContact O-N 3.48Å; Q282-L284 VanDerWaalsContact O-N 3.14Å |
| 285 | G | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.2 | 154.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T275 L276 V283 | T275-G285 CarbonylContact C-O 3.27Å; T275-G285 WeakPolarHBondContact CA-O 3.45Å; L276-G285 PolarHBondContact N-O 3.49Å; L276-G285 PolarHBondContact O-N 2.95Å; L276-G285 VanDerWaalsContact O-N 3.12Å; V283-G285 WeakPolarHBondContact CG1-O 3.4Å |
| 286 | R | 98.3 | Very high | 95.9 | Very high | 42 Ų | 42 | 46.3 Ų | 46.3 | 16% | 0.158 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 139.3 | -176 | -175.9 | 160.9 | 37.2 | 108.7 | 8.3 | 112.9 | S116 T118 Y120 I273 I274 T275 V283 | S116-R286 PolarHBondContact O-NH1 3.37Å; S116-R286 PolarHBondContact OG-NH1 3.33Å; T118-R286 VanDerWaalsContact O-CZ 3.28Å; T118-R286 PolarHBondContact O-NH1 2.95Å; Y120-R286 CarbonylContact C-O 3.56Å; Y120-R286 PolarHBondContact N-O 3.37Å; Y120-R286 PolarHBondContact O-N 3.42Å; I273-R286 HydrophobicContact CG2-CG 3.9Å; I274-R286 WeakPolarHBondContact O-CA 3.21Å; T275-R286 HydrophobicContact CG2-CB 4.04Å; T275-R286 HydrophobicContact CG2-CG 3.85Å; V283-R286 HydrophobicContact CG1-CB 4.18Å |
| 287 | R | 98 | Very high | 95.9 | Very high | 39 Ų | 39 | 46.3 Ų | 46.3 | 15% | 0.147 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 150.5 | 171.9 | -74.9 | -68.3 | -177.9 | -80.5 | -2.3 | 110 | D119 Y120 F126 V128 I274 | D119-R287 WeakPolarHBondContact OD1-CA 3.41Å; Y120-R287 VanDerWaalsContact C-NH1 3.33Å; Y120-R287 PolarHBondContact O-NH1 2.94Å; F126-R287 HydrophobicContact CD1-CG 4.15Å; F126-R287 HydrophobicContact CE1-CB 4.31Å; F126-R287 HydrophobicContact CE1-CG 4.25Å; F126-R287 PolarHBondContact O-NE 3.4Å; F126-R287 PolarHBondContact O-NH1 3.41Å; F126-R287 VanDerWaalsContact O-NH1 3.12Å; F126-R287 PolarHBondContact O-NH2 3.24Å; V128-R287 HydrophobicContact CB-CB 3.99Å; V128-R287 HydrophobicContact CB-CG 4.19Å; V128-R287 HydrophobicContact CG2-CB 3.7Å; V128-R287 HydrophobicContact CG2-CG 4.02Å; I274-R287 PolarHBondContact N-O 3.08Å; I274-R287 PolarHBondContact O-N 3.12Å |
| 288 | S | 97.3 | Very high | 95.9 | Very high | 24 Ų | 24 | 45.9 Ų | 45.9 | 17% | 0.168 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 148.5 | 175 | 70.3 | 0 | 0 | 0 | 0 | 112.3 | N117 D119 V272 | N117-S288 PolarHBondContact O-OG 2.85Å; N117-S288 VanDerWaalsContact O-OG 3.05Å; D119-S288 PolarHBondContact OD1-N 3.13Å; D119-S288 PolarHBondContact OD1-OG 3.21Å; V272-S288 WeakPolarHBondContact O-CA 3.33Å |
| 289 | F | 97.8 | Very high | 95.9 | Very high | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 154.9 | 172.1 | 58.2 | -89.9 | 0 | 0 | 0 | 110.5 | V128 F130 Y143 K148 L150 I160 L271 V272 I274 | V128-F289 HydrophobicContact CG1-CE1 4.29Å; F130-F289 HydrophobicContact CE1-CE2 4.47Å; F130-F289 HydrophobicContact CE1-CZ 4.39Å; F130-F289 HydrophobicContact CE2-CD1 4.39Å; F130-F289 AromaticContact CZ-CD1 3.82Å; F130-F289 HydrophobicContact CZ-CD1 3.82Å; F130-F289 HydrophobicContact CZ-CD2 4.06Å; F130-F289 AromaticContact CZ-CE1 3.83Å; F130-F289 HydrophobicContact CZ-CE1 3.83Å; F130-F289 HydrophobicContact CZ-CE2 4.07Å; F130-F289 AromaticContact CZ-CG 3.94Å; F130-F289 HydrophobicContact CZ-CG 3.94Å; F130-F289 AromaticContact CZ-CZ 3.95Å; F130-F289 HydrophobicContact CZ-CZ 3.95Å; Y143-F289 HydrophobicContact CE2-CB 4.35Å; K148-F289 WeakPolarHBondContact O-CA 3.22Å; K148-F289 WeakPolarHBondContact O-CB 3.45Å; L150-F289 HydrophobicContact CB-CD2 3.82Å; L150-F289 HydrophobicContact CB-CE2 3.82Å; L150-F289 HydrophobicContact CD2-CE2 3.8Å; L150-F289 HydrophobicContact CD2-CZ 4.45Å; L150-F289 HydrophobicContact CG-CE2 4.47Å; I160-F289 HydrophobicContact CD1-CE1 4.34Å; I160-F289 HydrophobicContact CD1-CZ 3.69Å; L271-F289 CarbonylContact C-O 3.59Å; L271-F289 WeakPolarHBondContact CA-O 3.36Å; V272-F289 HydrophobicContact CB-CD2 4.28Å; V272-F289 HydrophobicContact CB-CE1 4.03Å; V272-F289 HydrophobicContact CB-CE2 3.74Å; V272-F289 HydrophobicContact CB-CZ 3.6Å; V272-F289 HydrophobicContact CG1-CE1 4.12Å; V272-F289 HydrophobicContact CG1-CE2 4.37Å; V272-F289 HydrophobicContact CG1-CZ 3.76Å; V272-F289 HydrophobicContact CG2-CE2 3.86Å; V272-F289 HydrophobicContact CG2-CZ 4.1Å; V272-F289 PolarHBondContact N-O 2.93Å; V272-F289 PolarHBondContact O-N 2.89Å; V272-F289 VanDerWaalsContact O-N 3.15Å; I274-F289 HydrophobicContact CD1-CE1 3.81Å; I274-F289 HydrophobicContact CD1-CZ 4.37Å; I274-F289 HydrophobicContact CG1-CE1 4.11Å |
| 290 | E | 97.8 | Very high | 96.3 | Very high | 24 Ų | 24 | 42 Ų | 42 | 11% | 0.112 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 136.9 | 175.6 | -173.8 | 176.8 | 138.5 | 0 | 0 | 110.8 | K148 K149 L150 K181 I270 L271 | K148-E290 PolarHBondContact O-N 2.83Å; K149-E290 CarbonylContact C-O 3.6Å; K149-E290 WeakPolarHBondContact CA-O 3.03Å; K149-E290 HydrophobicContact CB-CB 4.13Å; K149-E290 HydrophobicContact CD-CB 4.09Å; K149-E290 HydrophobicContact CD-CG 3.94Å; K149-E290 WeakPolarHBondContact CD-OE1 3.35Å; K149-E290 WeakPolarHBondContact CE-OE1 3.43Å; K149-E290 HydrophobicContact CG-CB 3.87Å; K149-E290 HydrophobicContact CG-CG 4.1Å; K149-E290 IonicContact NZ-OE1 3.68Å; K149-E290 PolarHBondContact NZ-OE1 2.94Å; L150-E290 PolarHBondContact N-O 2.91Å; K181-E290 HydrophobicContact CD-CG 4.31Å; K181-E290 WeakPolarHBondContact CD-OE2 3.44Å; K181-E290 WeakPolarHBondContact CE-OE2 3.43Å; K181-E290 IonicContact NZ-OE2 2.68Å; K181-E290 PolarHBondContact NZ-OE2 2.96Å; I270-E290 CarbonylContact O-C 3.58Å; I270-E290 WeakPolarHBondContact O-CA 3.49Å; I270-E290 WeakPolarHBondContact O-CG 3.38Å; L271-E290 HydrophobicContact CD2-CB 4.23Å |
| 291 | G | 97.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 4% | 0.041 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 130.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I270 | I270-G291 WeakPolarHBondContact CG1-O 3.44Å; I270-G291 PolarHBondContact O-N 2.83Å |
| 292 | R | 97.8 | Very high | 97.1 | Very high | 67 Ų | 67 | 40.5 Ų | 40.5 | 25% | 0.253 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 91.9 | 173.3 | -179 | 167.1 | 167.4 | 166.5 | 0.7 | 111.7 | L150 Y151 C152 C294 D300 D304 | L150-R292 PolarHBondContact O-N 3.24Å; Y151-R292 WeakPolarHBondContact CA-O 3.25Å; Y151-R292 HydrophobicContact CD1-CB 4.05Å; Y151-R292 HydrophobicContact CD1-CG 4.13Å; Y151-R292 HydrophobicContact CE1-CB 4.36Å; Y151-R292 HydrophobicContact CE1-CG 4.41Å; C152-R292 PolarHBondContact N-O 2.94Å; R292-C294 HydrophobicContact CG-CB 4.29Å; R292-C294 PolarHBondContact O-N 2.79Å; R292-C294 PolarHBondContact O-SG 2.82Å; R292-C294 VanDerWaalsContact O-SG 3.4Å; R292-D300 IonicContact CZ-OD2 3.81Å; R292-D300 IonicContact NE-OD2 3.74Å; R292-D300 PolarHBondContact NE-OD2 3.14Å; R292-D300 VanDerWaalsContact NH2-CG 3.31Å; R292-D300 IonicContact NH2-OD2 3.59Å; R292-D300 PolarHBondContact NH2-OD2 2.68Å; R292-D304 IonicContact CZ-OD1 3.56Å; R292-D304 IonicContact CZ-OD2 3.54Å; R292-D304 IonicContact NH1-OD1 2.68Å; R292-D304 PolarHBondContact NH1-OD1 3.37Å; R292-D304 IonicContact NH1-OD2 3.67Å; R292-D304 PolarHBondContact NH1-OD2 3.48Å |
| 293 | I | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 116.2 | 171.5 | -47.9 | 67.1 | 0 | 0 | 0 | 108.6 | C152 I154 F255 C257 S259 M265 I270 | C152-I293 CarbonylContact O-C 3.44Å; C152-I293 VanDerWaalsContact O-CA 3.23Å; C152-I293 WeakPolarHBondContact O-CA 3.36Å; I154-I293 HydrophobicContact CB-CG2 4.08Å; F255-I293 HydrophobicContact CB-CD1 4.26Å; F255-I293 HydrophobicContact CB-CG1 3.46Å; F255-I293 VanDerWaalsContact CB-CG1 3.46Å; F255-I293 HydrophobicContact CB-CG2 4.45Å; F255-I293 HydrophobicContact CD1-CD1 4.2Å; F255-I293 HydrophobicContact CD1-CG1 4.31Å; F255-I293 HydrophobicContact CG-CD1 4.44Å; F255-I293 HydrophobicContact CG-CG1 4.07Å; C257-I293 WeakPolarHBondContact O-CB 3.34Å; C257-I293 WeakPolarHBondContact O-CG1 3.24Å; C257-I293 WeakPolarHBondContact O-CG2 3.38Å; S259-I293 WeakPolarHBondContact CB-O 3.44Å; S259-I293 PolarHBondContact N-O 2.89Å; S259-I293 PolarHBondContact OG-N 2.9Å; S259-I293 PolarHBondContact OG-O 2.77Å; M265-I293 HydrophobicContact CE-CD1 3.99Å; M265-I293 HydrophobicContact CE-CG1 4.47Å; M265-I293 HydrophobicContact SD-CD1 4.23Å; I270-I293 HydrophobicContact CD1-CD1 4.14Å |
| 294 | C | 97.4 | Very high | 97.3 | Very high | 12 Ų | 12 | 35.8 Ų | 35.8 | 8% | 0.081 | 18% | 0.182 | C | C | . | . | trans | -155.5 | 155.6 | -172.1 | 60.9 | 0 | 0 | 0 | 0 | 112.4 | C152 Q153 R292 C296 | C152-C294 PolarHBondContact O-N 2.85Å; C152-C294 VanDerWaalsContact O-O 3.05Å; Q153-C294 WeakPolarHBondContact CA-O 3.42Å; R292-C294 HydrophobicContact CG-CB 4.29Å; R292-C294 PolarHBondContact O-N 2.79Å; R292-C294 PolarHBondContact O-SG 2.82Å; R292-C294 VanDerWaalsContact O-SG 3.4Å; C294-C296 VanDerWaalsContact C-N 3.31Å; C294-C296 PolarHBondContact O-N 3.03Å | ||
| 295 | A | 96.3 | Very high | 97.3 | Very high | 68 Ų | 68 | 36.1 Ų | 36.1 | 56% | 0.562 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -69.8 | -20.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q153 | Q153-A295 PolarHBondContact NE2-O 2.84Š|
| 296 | C | 96.2 | Very high | 97.2 | Very high | 31 Ų | 31 | 39.2 Ų | 39.2 | 21% | 0.209 | 20% | 0.2 | C | C | . | . | trans | -137 | 72.7 | -176 | -59.3 | 0 | 0 | 0 | 0 | 112.1 | C294 G298 R299 D300 | C294-C296 VanDerWaalsContact C-N 3.31Å; C294-C296 PolarHBondContact O-N 3.03Å; C296-G298 PolarHBondContact O-N 3.24Å; C296-R299 HydrophobicContact CB-CB 4.01Å; C296-R299 PolarHBondContact O-N 2.85Å; C296-R299 VanDerWaalsContact O-N 3.1Å; C296-D300 PolarHBondContact O-N 2.63Å | ||
| 297 | P | 97.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -49.6 | -49.9 | -173.5 | -32.2 | 38.3 | 0 | 0 | 0 | 115 | A139 T142 Q153 R299 D300 R301 | A139-P297 WeakPolarHBondContact O-CD 3.14Å; A139-P297 WeakPolarHBondContact O-CG 3.48Å; T142-P297 HydrophobicContact CG2-CB 3.94Å; Q153-P297 HydrophobicContact CG-CG 3.94Å; P297-R299 VanDerWaalsContact C-N 3.33Å; P297-R299 PolarHBondContact O-N 3.28Å; P297-D300 PolarHBondContact O-N 3.12Å; P297-R301 WeakPolarHBondContact O-CB 3.42Å; P297-R301 PolarHBondContact O-N 3.21Å |
| 298 | G | 96.9 | Very high | 97 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.7 | -35.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | T135 C296 K302 | T135-G298 WeakPolarHBondContact O-CA 3.38Å; C296-G298 PolarHBondContact O-N 3.24Å; G298-K302 WeakPolarHBondContact O-CB 3.31Å; G298-K302 PolarHBondContact O-N 2.94Å; G298-K302 VanDerWaalsContact O-N 3.11Å |
| 299 | R | 96.9 | Very high | 96.9 | Very high | 151 Ų | 151 | 48.1 Ų | 48.1 | 57% | 0.57 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -70.7 | -50.3 | 175.8 | 179.5 | -160.5 | 66.9 | -165.2 | -1.4 | 110.9 | C296 P297 R301 K302 A303 | C296-R299 HydrophobicContact CB-CB 4.01Å; C296-R299 PolarHBondContact O-N 2.85Å; C296-R299 VanDerWaalsContact O-N 3.1Å; P297-R299 VanDerWaalsContact C-N 3.33Å; P297-R299 PolarHBondContact O-N 3.28Å; R299-R301 VanDerWaalsContact C-N 3.3Å; R299-R301 PolarHBondContact O-N 2.79Å; R299-K302 PolarHBondContact O-N 2.88Å; R299-A303 PolarHBondContact O-N 2.91Å |
| 300 | D | 97.2 | Very high | 96.7 | Very high | 14 Ų | 14 | 53.6 Ų | 53.6 | 8% | 0.075 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.8 | -35.8 | -176.4 | -79 | 33.6 | 0 | 0 | 0 | 111.1 | Y151 R292 C296 P297 D304 | Y151-D300 HydrophobicContact CD1-CB 3.95Å; Y151-D300 HydrophobicContact CE1-CB 4.21Å; R292-D300 IonicContact CZ-OD2 3.81Å; R292-D300 IonicContact NE-OD2 3.74Å; R292-D300 PolarHBondContact NE-OD2 3.14Å; R292-D300 VanDerWaalsContact NH2-CG 3.31Å; R292-D300 IonicContact NH2-OD2 3.59Å; R292-D300 PolarHBondContact NH2-OD2 2.68Å; C296-D300 PolarHBondContact O-N 2.63Å; P297-D300 PolarHBondContact O-N 3.12Å; D300-D304 WeakPolarHBondContact O-CB 3.21Å; D300-D304 PolarHBondContact O-N 3.32Å; D300-D304 VanDerWaalsContact O-N 3.09Å |
| 301 | R | 97.1 | Very high | 96.4 | Very high | 37 Ų | 37 | 57.5 Ų | 57.5 | 14% | 0.14 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.6 | -52.7 | 168.7 | 177.9 | 176.5 | 166.1 | -160.9 | -5.3 | 111.8 | T142 Y143 Y151 P297 R299 A303 D304 E305 | T142-R301 HydrophobicContact CG2-CB 3.87Å; T142-R301 HydrophobicContact CG2-CG 4.29Å; T142-R301 PolarHBondContact OG1-NH1 3.37Å; Y143-R301 PolarHBondContact O-NH1 3.46Å; Y151-R301 HydrophobicContact CD1-CB 4.15Å; Y151-R301 HydrophobicContact CD2-CB 3.71Å; Y151-R301 HydrophobicContact CD2-CG 4.05Å; Y151-R301 HydrophobicContact CE1-CB 4.18Å; Y151-R301 HydrophobicContact CE2-CB 3.78Å; Y151-R301 HydrophobicContact CE2-CG 3.86Å; Y151-R301 HydrophobicContact CG-CB 3.94Å; P297-R301 WeakPolarHBondContact O-CB 3.42Å; P297-R301 PolarHBondContact O-N 3.21Å; R299-R301 VanDerWaalsContact C-N 3.3Å; R299-R301 PolarHBondContact O-N 2.79Å; R301-A303 VanDerWaalsContact C-N 3.33Å; R301-A303 PolarHBondContact O-N 2.85Å; R301-D304 PolarHBondContact O-N 3.06Å; R301-E305 HydrophobicContact CG-CG 4.37Å; R301-E305 IonicContact CZ-OE1 2.72Å; R301-E305 IonicContact NE-OE1 3.37Å; R301-E305 PolarHBondContact NE-OE1 2.81Å; R301-E305 IonicContact NH2-OE1 2.79Å; R301-E305 PolarHBondContact NH2-OE1 2.84Å; R301-E305 WeakPolarHBondContact O-CB 3.29Å; R301-E305 WeakPolarHBondContact O-CG 3.34Å; R301-E305 PolarHBondContact O-N 2.9Å |
| 302 | K | 96 | Very high | 95.9 | Very high | 124 Ų | 124 | 61.8 Ų | 61.8 | 54% | 0.539 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.4 | -44.9 | -179.6 | 177.1 | 170.3 | 176.8 | 177.2 | 0 | 111.5 | G298 R299 E305 D306 | G298-K302 WeakPolarHBondContact O-CB 3.31Å; G298-K302 PolarHBondContact O-N 2.94Å; G298-K302 VanDerWaalsContact O-N 3.11Å; R299-K302 PolarHBondContact O-N 2.88Å; K302-E305 PolarHBondContact O-N 2.77Å; K302-D306 WeakPolarHBondContact CE-OD2 3.34Å; K302-D306 VanDerWaalsContact CG-OD2 3.27Å; K302-D306 WeakPolarHBondContact CG-OD2 3.4Å; K302-D306 WeakPolarHBondContact O-CB 3.3Å; K302-D306 PolarHBondContact O-N 2.86Å |
| 303 | A | 96.7 | Very high | 95.6 | Very high | 53 Ų | 53 | 61.3 Ų | 61.3 | 44% | 0.438 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.2 | -45.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R299 R301 D306 H307 | R299-A303 PolarHBondContact O-N 2.91Å; R301-A303 VanDerWaalsContact C-N 3.33Å; R301-A303 PolarHBondContact O-N 2.85Å; A303-D306 PolarHBondContact O-N 3.03Å; A303-H307 VanDerWaalsContact O-CB 3.31Å; A303-H307 WeakPolarHBondContact O-CB 3.3Å; A303-H307 PolarHBondContact O-N 3.09Å |
| 304 | D | 96.9 | Very high | 95.1 | Very high | 33 Ų | 33 | 66.1 Ų | 66.1 | 18% | 0.176 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.4 | -36 | 176.4 | -72.8 | 7.4 | 0 | 0 | 0 | 111.9 | L147 K149 Y151 R292 D300 R301 Y308 | L147-D304 HydrophobicContact CD1-CB 3.72Å; K149-D304 WeakPolarHBondContact CE-OD2 3.33Å; K149-D304 IonicContact NZ-OD2 2.77Å; K149-D304 PolarHBondContact NZ-OD2 3Å; Y151-D304 HydrophobicContact CE1-CB 4.47Å; Y151-D304 WeakPolarHBondContact CE1-OD2 3.43Å; Y151-D304 WeakPolarHBondContact OH-CB 2.92Å; Y151-D304 PolarHBondContact OH-OD2 2.67Å; R292-D304 IonicContact CZ-OD1 3.56Å; R292-D304 IonicContact CZ-OD2 3.54Å; R292-D304 IonicContact NH1-OD1 2.68Å; R292-D304 PolarHBondContact NH1-OD1 3.37Å; R292-D304 IonicContact NH1-OD2 3.67Å; R292-D304 PolarHBondContact NH1-OD2 3.48Å; D300-D304 WeakPolarHBondContact O-CB 3.21Å; D300-D304 PolarHBondContact O-N 3.32Å; D300-D304 VanDerWaalsContact O-N 3.09Å; R301-D304 PolarHBondContact O-N 3.06Å; D304-Y308 WeakPolarHBondContact O-CB 3.18Å; D304-Y308 PolarHBondContact O-N 3.29Å |
| 305 | E | 96.7 | Very high | 94.3 | Very high | 24 Ų | 24 | 71 Ų | 71 | 11% | 0.112 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -72.2 | -37.9 | 176.2 | -75.4 | -175 | -174.8 | 0 | 0 | 113.3 | S144 L146 L147 R301 K302 Y308 R309 | S144-E305 VanDerWaalsContact CB-OE1 3.29Å; S144-E305 WeakPolarHBondContact CB-OE1 3.3Å; S144-E305 PolarHBondContact OG-OE1 3.45Å; L146-E305 HydrophobicContact CD2-CG 4.28Å; L147-E305 HydrophobicContact CD1-CG 3.75Å; L147-E305 HydrophobicContact CG-CG 4.18Å; R301-E305 HydrophobicContact CG-CG 4.37Å; R301-E305 IonicContact CZ-OE1 2.72Å; R301-E305 IonicContact NE-OE1 3.37Å; R301-E305 PolarHBondContact NE-OE1 2.81Å; R301-E305 IonicContact NH2-OE1 2.79Å; R301-E305 PolarHBondContact NH2-OE1 2.84Å; R301-E305 WeakPolarHBondContact O-CB 3.29Å; R301-E305 WeakPolarHBondContact O-CG 3.34Å; R301-E305 PolarHBondContact O-N 2.9Å; K302-E305 PolarHBondContact O-N 2.77Å; E305-Y308 PolarHBondContact O-N 2.95Å; E305-R309 PolarHBondContact O-N 2.74Å; E305-R309 VanDerWaalsContact O-N 3.08Å; E305-R309 IonicContact OE2-NH1 2.94Å |
| 306 | D | 96.4 | Very high | 93.5 | Very high | 66 Ų | 66 | 72.9 Ų | 72.9 | 35% | 0.353 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.5 | -46.8 | 174.9 | -76.4 | -27 | 0 | 0 | 0 | 110.2 | K302 A303 Y308 R309 E310 | K302-D306 WeakPolarHBondContact CE-OD2 3.34Å; K302-D306 VanDerWaalsContact CG-OD2 3.27Å; K302-D306 WeakPolarHBondContact CG-OD2 3.4Å; K302-D306 WeakPolarHBondContact O-CB 3.3Å; K302-D306 PolarHBondContact O-N 2.86Å; A303-D306 PolarHBondContact O-N 3.03Å; D306-Y308 VanDerWaalsContact C-N 3.32Å; D306-Y308 PolarHBondContact O-N 3.41Å; D306-R309 WeakPolarHBondContact O-CB 3.38Å; D306-R309 PolarHBondContact O-N 2.95Å; D306-R309 VanDerWaalsContact O-N 3.12Å; D306-R309 IonicContact OD1-CZ 2.71Å; D306-R309 IonicContact OD1-NE 2.72Å; D306-R309 IonicContact OD1-NH2 2.61Å; D306-R309 PolarHBondContact OD1-NH2 3.17Å; D306-E310 PolarHBondContact O-N 3.39Å |
| 307 | H | 96.3 | Very high | 92.3 | Very high | 98 Ų | 98 | 73.8 Ų | 73.8 | 45% | 0.454 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61 | -37.1 | 174.7 | 176.3 | -110.9 | 0 | 0 | 0 | 112.6 | A303 E310 Q311 | A303-H307 VanDerWaalsContact O-CB 3.31Å; A303-H307 WeakPolarHBondContact O-CB 3.3Å; A303-H307 PolarHBondContact O-N 3.09Å; H307-E310 PolarHBondContact O-N 3.4Å; H307-Q311 PolarHBondContact CE1-NE2 3.27Å; H307-Q311 PolarHBondContact NE2-NE2 3Å; H307-Q311 WeakPolarHBondContact O-CG 3.3Å; H307-Q311 PolarHBondContact O-N 3.5Å |
| 308 | Y | 95.4 | Very high | 90.6 | Very high | 87 Ų | 87 | 78.5 Ų | 78.5 | 34% | 0.341 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -68.2 | -31.4 | 174.4 | -176.6 | -102.7 | 0 | 0 | 0 | 113.2 | L146 L147 D304 E305 D306 Q312 | L146-Y308 HydrophobicContact CD1-CD1 4.18Å; L146-Y308 HydrophobicContact CD1-CE1 3.8Å; L146-Y308 HydrophobicContact CD2-CD1 3.94Å; L146-Y308 HydrophobicContact CD2-CE1 4.42Å; L146-Y308 HydrophobicContact CG-CD1 3.85Å; L146-Y308 HydrophobicContact CG-CE1 3.92Å; L147-Y308 HydrophobicContact CD2-CD1 4Å; L147-Y308 HydrophobicContact CD2-CD2 3.88Å; L147-Y308 HydrophobicContact CD2-CG 3.59Å; D304-Y308 WeakPolarHBondContact O-CB 3.18Å; D304-Y308 PolarHBondContact O-N 3.29Å; E305-Y308 PolarHBondContact O-N 2.95Å; D306-Y308 VanDerWaalsContact C-N 3.32Å; D306-Y308 PolarHBondContact O-N 3.41Å; Y308-Q312 VanDerWaalsContact CD1-NE2 3.26Å; Y308-Q312 WeakPolarHBondContact O-CG 3.32Å; Y308-Q312 PolarHBondContact O-N 2.7Å; Y308-Q312 PolarHBondContact O-NE2 3.33Å |
| 309 | R | 94.8 | Very high | 88.7 | Confident | 107 Ų | 107 | 83.3 Ų | 83.3 | 40% | 0.404 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -69.6 | -44.7 | 170.5 | -74.6 | 179.9 | -80 | -88.7 | 3.2 | 111.6 | E305 D306 Q311 Q312 A313 | E305-R309 PolarHBondContact O-N 2.74Å; E305-R309 VanDerWaalsContact O-N 3.08Å; E305-R309 IonicContact OE2-NH1 2.94Å; D306-R309 WeakPolarHBondContact O-CB 3.38Å; D306-R309 PolarHBondContact O-N 2.95Å; D306-R309 VanDerWaalsContact O-N 3.12Å; D306-R309 IonicContact OD1-CZ 2.71Å; D306-R309 IonicContact OD1-NE 2.72Å; D306-R309 IonicContact OD1-NH2 2.61Å; D306-R309 PolarHBondContact OD1-NH2 3.17Å; R309-Q311 PolarHBondContact O-N 2.82Å; R309-Q312 PolarHBondContact O-N 3.37Å; R309-A313 PolarHBondContact O-N 2.93Å; R309-A313 VanDerWaalsContact O-N 3.15Å |
| 310 | E | 94.3 | Very high | 86.9 | Confident | 120 Ų | 120 | 82 Ų | 82 | 56% | 0.561 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -59.8 | -45.1 | 177.7 | -174.6 | 174.1 | -152.3 | 0 | 0 | 112.1 | D306 H307 Q312 A313 L314 | D306-E310 PolarHBondContact O-N 3.39Å; H307-E310 PolarHBondContact O-N 3.4Å; E310-Q312 VanDerWaalsContact C-N 3.34Å; E310-Q312 PolarHBondContact O-N 2.99Å; E310-A313 PolarHBondContact O-N 3Å; E310-L314 HydrophobicContact CG-CD1 4.17Å; E310-L314 WeakPolarHBondContact O-CG 3.33Å; E310-L314 PolarHBondContact O-N 3.05Å |
| 311 | Q | 90.8 | Very high | 84.6 | Confident | 106 Ų | 106 | 87 Ų | 87 | 50% | 0.495 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.4 | -36.2 | 176.5 | -74.4 | -168.9 | -10.4 | 0 | 0 | 113.6 | H307 R309 N315 | H307-Q311 PolarHBondContact CE1-NE2 3.27Å; H307-Q311 PolarHBondContact NE2-NE2 3Å; H307-Q311 WeakPolarHBondContact O-CG 3.3Å; H307-Q311 PolarHBondContact O-N 3.5Å; R309-Q311 PolarHBondContact O-N 2.82Å; Q311-N315 PolarHBondContact O-N 2.92Å; Q311-N315 VanDerWaalsContact O-N 3.08Å |
| 312 | Q | 88.8 | Confident | 82.2 | Confident | 95 Ų | 95 | 88.5 Ų | 88.5 | 44% | 0.444 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.2 | -44.3 | 175.6 | -75.4 | 169 | 106.3 | 0 | 0 | 111.6 | Y308 R309 E310 L314 N315 E316 | Y308-Q312 VanDerWaalsContact CD1-NE2 3.26Å; Y308-Q312 WeakPolarHBondContact O-CG 3.32Å; Y308-Q312 PolarHBondContact O-N 2.7Å; Y308-Q312 PolarHBondContact O-NE2 3.33Å; R309-Q312 PolarHBondContact O-N 3.37Å; E310-Q312 VanDerWaalsContact C-N 3.34Å; E310-Q312 PolarHBondContact O-N 2.99Å; Q312-L314 VanDerWaalsContact C-N 3.33Å; Q312-L314 PolarHBondContact O-N 2.75Å; Q312-N315 PolarHBondContact O-N 3.21Å; Q312-N315 VanDerWaalsContact O-N 3.15Å; Q312-E316 PolarHBondContact O-N 3.1Å |
| 313 | A | 90.3 | Very high | 80.2 | Confident | 56 Ų | 56 | 87.3 Ų | 87.3 | 46% | 0.463 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.3 | -36.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | R309 E310 S317 | R309-A313 PolarHBondContact O-N 2.93Å; R309-A313 VanDerWaalsContact O-N 3.15Å; E310-A313 PolarHBondContact O-N 3Å; A313-S317 WeakPolarHBondContact O-CB 3.39Å; A313-S317 PolarHBondContact O-N 2.88Å; A313-S317 PolarHBondContact O-OG 3.3Å |
| 314 | L | 87.4 | Confident | 77.9 | Confident | 103 Ų | 103 | 89.3 Ų | 89.3 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.8 | -37.1 | 172.9 | -75.7 | 165.2 | 0 | 0 | 0 | 112.6 | E310 Q312 S317 T318 | E310-L314 HydrophobicContact CG-CD1 4.17Å; E310-L314 WeakPolarHBondContact O-CG 3.33Å; E310-L314 PolarHBondContact O-N 3.05Å; Q312-L314 VanDerWaalsContact C-N 3.33Å; Q312-L314 PolarHBondContact O-N 2.75Å; L314-S317 WeakPolarHBondContact CA-OG 3.23Å; L314-S317 PolarHBondContact O-OG 3.17Å; L314-T318 WeakPolarHBondContact O-CB 3.3Å; L314-T318 PolarHBondContact O-N 3.35Å; L314-T318 PolarHBondContact O-OG1 3.13Å |
| 315 | N | 82 | Confident | 75.8 | Confident | 114 Ų | 114 | 93 Ų | 93 | 61% | 0.61 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -70 | -44.8 | 177 | -164.5 | 31.8 | 0 | 0 | 0 | 111.5 | Q311 Q312 T318 T319 | Q311-N315 PolarHBondContact O-N 2.92Å; Q311-N315 VanDerWaalsContact O-N 3.08Å; Q312-N315 PolarHBondContact O-N 3.21Å; Q312-N315 VanDerWaalsContact O-N 3.15Å; N315-T318 WeakPolarHBondContact O-CB 3.49Å; N315-T318 PolarHBondContact O-N 3.36Å; N315-T318 VanDerWaalsContact O-N 3.17Å; N315-T319 PolarHBondContact O-N 3.47Å |
| 316 | E | 78.9 | Confident | 73.5 | Confident | 107 Ų | 107 | 101.6 Ų | 101.6 | 50% | 0.5 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.6 | -37.2 | 179.6 | -161 | -157.8 | 137 | 0 | 0 | 113.1 | Q312 T318 T319 K320 | Q312-E316 PolarHBondContact O-N 3.1Å; E316-T318 VanDerWaalsContact C-N 3.29Å; E316-T318 PolarHBondContact O-N 2.89Å; E316-T319 PolarHBondContact O-OG1 2.9Å; E316-K320 PolarHBondContact O-N 2.89Å; E316-K320 IonicContact OE1-NZ 2.67Å; E316-K320 PolarHBondContact OE1-NZ 3.39Å |
| 317 | S | 71.6 | Confident | 71.2 | Confident | 51 Ų | 51 | 110.5 Ų | 110.5 | 36% | 0.357 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -72.2 | -23.1 | 173.8 | 53.9 | 0 | 0 | 0 | 0 | 113 | A313 L314 N321 | A313-S317 WeakPolarHBondContact O-CB 3.39Å; A313-S317 PolarHBondContact O-N 2.88Å; A313-S317 PolarHBondContact O-OG 3.3Å; L314-S317 WeakPolarHBondContact CA-OG 3.23Å; L314-S317 PolarHBondContact O-OG 3.17Å; S317-N321 WeakPolarHBondContact O-CB 3.39Å; S317-N321 PolarHBondContact O-N 3.14Å; S317-N321 PolarHBondContact O-ND2 3.06Å |
| 318 | T | 61.2 | Low | 68.5 | Low | 98 Ų | 98 | 110.5 Ų | 110.5 | 60% | 0.601 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.4 | -40 | 175.1 | -63 | 0 | 0 | 0 | 0 | 112 | L314 N315 E316 | L314-T318 WeakPolarHBondContact O-CB 3.3Å; L314-T318 PolarHBondContact O-N 3.35Å; L314-T318 PolarHBondContact O-OG1 3.13Å; N315-T318 WeakPolarHBondContact O-CB 3.49Å; N315-T318 PolarHBondContact O-N 3.36Å; N315-T318 VanDerWaalsContact O-N 3.17Å; E316-T318 VanDerWaalsContact C-N 3.29Å; E316-T318 PolarHBondContact O-N 2.89Å |
| 319 | T | 58.1 | Low | 65.5 | Low | 106 Ų | 106 | 114.8 Ų | 114.8 | 65% | 0.65 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68 | -39.3 | 175.3 | 45.9 | 0 | 0 | 0 | 0 | 112.3 | N315 E316 | N315-T319 PolarHBondContact O-N 3.47Å; E316-T319 PolarHBondContact O-OG1 2.9Å |
| 320 | K | 57.6 | Low | 63.3 | Low | 123 Ų | 123 | 119.1 Ų | 119.1 | 54% | 0.535 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -69.2 | -33.6 | -179.7 | -72.6 | 174.8 | 174.6 | 175.2 | 0 | 113.8 | E316 | E316-K320 PolarHBondContact O-N 2.89Å; E316-K320 IonicContact OE1-NZ 2.67Å; E316-K320 PolarHBondContact OE1-NZ 3.39Å |
| 321 | N | 48.6 | Very low | 60.4 | Low | 120 Ų | 120 | 121.4 Ų | 121.4 | 64% | 0.642 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -81.7 | -10.8 | -178.2 | -76.7 | -51.9 | 0 | 0 | 0 | 115.3 | S317 A323 | S317-N321 WeakPolarHBondContact O-CB 3.39Å; S317-N321 PolarHBondContact O-N 3.14Å; S317-N321 PolarHBondContact O-ND2 3.06Å; N321-A323 PolarHBondContact O-N 2.87Å; N321-A323 VanDerWaalsContact O-N 3.12Å |
| 322 | G | 48.2 | Very low | 57.6 | Low | 68 Ų | 68 | 121.5 Ų | 121.5 | 70% | 0.701 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -13.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 323 | A | 52.9 | Low | 55.1 | Low | 99 Ų | 99 | 122.8 Ų | 122.8 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -21.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115 | N321 | N321-A323 PolarHBondContact O-N 2.87Å; N321-A323 VanDerWaalsContact O-N 3.12Å |
| 324 | A | 49.4 | Very low | 52.8 | Low | 94 Ų | 94 | 126.2 Ų | 126.2 | 78% | 0.777 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -94.7 | -3.9 | -159.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 325 | S | 51.8 | Low | 50.3 | Low | 110 Ų | 110 | 126 Ų | 126 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | trans | -133.1 | 78.9 | -170.5 | -163.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 326 | K | 49.8 | Very low | 48 | Very low | 206 Ų | 206 | 128.5 Ų | 128.5 | 90% | 0.896 | 74% | 0.737 | S | S | * | * | trans | -141.3 | 94 | 157.8 | -70.5 | -166.6 | 178.4 | -178 | 0 | 111 | ||||
| 327 | R | 48 | Very low | 46.2 | Very low | 253 Ų | 253 | 129.3 Ų | 129.3 | 96% | 0.955 | 75% | 0.751 | S | S | * | * | trans | -68 | 132.1 | 162.7 | -65.1 | -174.5 | -172.3 | 175.2 | 4 | 108.3 | ||||
| 328 | A | 38.3 | Very low | 44.3 | Very low | 97 Ų | 97 | 131.5 Ų | 131.5 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | -78 | 127.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 329 | F | 33.8 | Very low | 42.9 | Very low | 178 Ų | 178 | 135.2 Ų | 135.2 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | trans | -101.6 | 115.2 | 160.1 | -170.3 | -101.6 | 0 | 0 | 0 | 108.2 | Q331 | F329-Q331 HydrophobicContact CE1-CG 3.97Š| ||
| 330 | K | 47 | Very low | 41.7 | Very low | 197 Ų | 197 | 133.6 Ų | 133.6 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | trans | -90.7 | 115.5 | -178.9 | -75.5 | -175.4 | 177.1 | -179 | 0 | 110.8 | ||||
| 331 | Q | 34.7 | Very low | 40.5 | Very low | 168 Ų | 168 | 134.1 Ų | 134.1 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -139.8 | 135.7 | 148 | -65.8 | -168.5 | 10.1 | 0 | 0 | 108.9 | F329 | F329-Q331 HydrophobicContact CE1-CG 3.97Š| ||
| 332 | S | 31.1 | Very low | 39.6 | Very low | 109 Ų | 109 | 136 Ų | 136 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | trans | -112.5 | 159.8 | 169.6 | 50.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 333 | P | 37.4 | Very low | 39.1 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | -138.1 | -151.8 | 108.2 | 43.8 | -30.3 | 0 | 0 | 0 | 111.1 | |||||
| 334 | P | 40.6 | Very low | 38.3 | Very low | 129 Ų | 129 | 142.8 Ų | 142.8 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | -107.7 | 167.8 | -123.1 | 15.5 | 9.3 | 0 | 0 | 0 | 114.5 | |||||
| 335 | A | 35.5 | Very low | 37.7 | Very low | 98 Ų | 98 | 147.6 Ų | 147.6 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | trans | -100.9 | 148.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 336 | I | 34 | Very low | 37 | Very low | 166 Ų | 166 | 153.5 Ų | 153.5 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | trans | -129.8 | 135.1 | 159.7 | -64 | -178.4 | 0 | 0 | 0 | 106.6 | ||||
| 337 | P | 40.4 | Very low | 36.4 | Very low | 124 Ų | 124 | 155 Ų | 155 | 81% | 0.805 | 83% | 0.826 | S | S | * | * | trans | -88.9 | 148.3 | -168.1 | 34.2 | -35.6 | 0 | 0 | 0 | 114 | ||||
| 338 | A | 32.3 | Very low | 36.4 | Very low | 97 Ų | 97 | 151.1 Ų | 151.1 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | trans | -136.7 | 151.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 339 | L | 31.2 | Very low | 36.8 | Very low | 177 Ų | 177 | 149.4 Ų | 149.4 | 93% | 0.927 | 81% | 0.811 | S | S | * | * | trans | -76.6 | 143 | -165 | -85.6 | 64.6 | 0 | 0 | 0 | 113.6 | ||||
| 340 | G | 33.1 | Very low | 37.5 | Very low | 71 Ų | 71 | 148.1 Ų | 148.1 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | trans | -79.8 | 170.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 341 | T | 32.1 | Very low | 38.1 | Very low | 134 Ų | 134 | 145.5 Ų | 145.5 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | -129.1 | 129.6 | 145.3 | 43.2 | 0 | 0 | 0 | 0 | 108.3 | V343 | T341-V343 VanDerWaalsContact C-N 3.31Å; T341-V343 PolarHBondContact O-N 2.97Å | ||
| 342 | N | 31 | Very low | 40.1 | Very low | 161 Ų | 161 | 142.1 Ų | 142.1 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | trans | -84.7 | 67.5 | -176.9 | -102.1 | -67.1 | 0 | 0 | 0 | 111.7 | K344 | N342-K344 PolarHBondContact O-N 2.9Š| ||
| 343 | V | 36.4 | Very low | 42.4 | Very low | 123 Ų | 123 | 142.6 Ų | 142.6 | 75% | 0.745 | 78% | 0.782 | S | S | * | * | trans | -84.9 | 95.6 | 160.1 | -176.9 | 0 | 0 | 0 | 0 | 107.8 | T341 K345 | T341-V343 VanDerWaalsContact C-N 3.31Å; T341-V343 PolarHBondContact O-N 2.97Å; V343-K345 VanDerWaalsContact C-N 3.28Å; V343-K345 PolarHBondContact O-N 2.77Å | ||
| 344 | K | 36 | Very low | 44.7 | Very low | 185 Ų | 185 | 144.9 Ų | 144.9 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -63.1 | 93.7 | 165.3 | -76.9 | -177.6 | 177.8 | 176.9 | 0 | 107.9 | N342 R346 | N342-K344 PolarHBondContact O-N 2.9Å; K344-R346 PolarHBondContact O-N 2.87Å | ||
| 345 | K | 36.6 | Very low | 46.9 | Very low | 195 Ų | 195 | 148.7 Ų | 148.7 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | trans | -66.1 | 81.8 | 170.9 | -166.2 | 177.4 | -173 | 178.4 | 0 | 108.3 | V343 R347 | V343-K345 VanDerWaalsContact C-N 3.28Å; V343-K345 PolarHBondContact O-N 2.77Å; K345-R347 PolarHBondContact O-N 2.69Å | ||
| 346 | R | 37.2 | Very low | 49.5 | Very low | 234 Ų | 234 | 150.3 Ų | 150.3 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | -52.3 | 126.2 | 177.6 | -160.5 | 177.8 | -170.2 | -175.6 | 0.8 | 106.6 | K344 H348 | K344-R346 PolarHBondContact O-N 2.87Å; R346-H348 PolarHBondContact O-N 2.84Å | ||
| 347 | R | 37.3 | Very low | 52.2 | Low | 237 Ų | 237 | 151.5 Ų | 151.5 | 89% | 0.894 | 77% | 0.773 | S | S | * | * | trans | -65.7 | 110.2 | 178 | -66.1 | -177.4 | -179 | -137.9 | 3.2 | 106.9 | K345 | K345-R347 PolarHBondContact O-N 2.69Š| ||
| 348 | H | 49 | Very low | 54.8 | Low | 172 Ų | 172 | 148.1 Ų | 148.1 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | trans | -82.5 | 113.6 | 163.5 | 179.3 | 70.6 | 0 | 0 | 0 | 105.6 | R346 E351 | R346-H348 PolarHBondContact O-N 2.84Å; H348-E351 IonicContact CE1-OE1 3.45Å; H348-E351 PolarHBondContact CE1-OE1 2.77Å | ||
| 349 | G | 46 | Very low | 57.6 | Low | 62 Ų | 62 | 154.5 Ų | 154.5 | 64% | 0.639 | 75% | 0.753 | S | S | * | * | trans | 142.2 | 58.8 | -160.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 350 | D | 48.4 | Very low | 60.5 | Low | 151 Ų | 151 | 148.3 Ų | 148.3 | 81% | 0.807 | 73% | 0.732 | S | S | * | * | trans | -159.3 | 52.8 | 164 | -136.4 | 22.8 | 0 | 0 | 0 | 108.4 | D352 | D350-D352 PolarHBondContact O-N 3.32Š| ||
| 351 | E | 60.3 | Low | 63.2 | Low | 141 Ų | 141 | 154.3 Ų | 154.3 | 66% | 0.659 | 73% | 0.732 | S | S | * | * | trans | -93.3 | 83 | 173.1 | -79.3 | -175.7 | -147.9 | 0 | 0 | 109.7 | H348 M353 | H348-E351 IonicContact CE1-OE1 3.45Å; H348-E351 PolarHBondContact CE1-OE1 2.77Å; E351-M353 PolarHBondContact O-N 2.72Å | ||
| 352 | D | 76.9 | Confident | 66.1 | Low | 97 Ų | 97 | 155 Ų | 155 | 52% | 0.519 | 73% | 0.726 | S | S | . | * | trans | -71.4 | 111.3 | 166.8 | -87 | -34.8 | 0 | 0 | 0 | 109.7 | D350 F354 | D350-D352 PolarHBondContact O-N 3.32Å; D352-F354 HydrophobicContact CB-CD2 4.29Å; D352-F354 HydrophobicContact CB-CE2 3.48Å; D352-F354 VanDerWaalsContact CB-CE2 3.48Å; D352-F354 HydrophobicContact CB-CZ 3.62Å; D352-F354 WeakPolarHBondContact O-CD2 3.41Å; D352-F354 VanDerWaalsContact O-CE2 3.32Å; D352-F354 WeakPolarHBondContact O-CE2 3.49Å; D352-F354 PolarHBondContact O-N 2.79Å | ||
| 353 | M | 77.7 | Confident | 69.1 | Low | 119 Ų | 119 | 151.5 Ų | 151.5 | 59% | 0.586 | 71% | 0.708 | S | S | * | * | trans | -82.6 | 107.6 | 178.6 | -175.5 | 57.2 | 57.9 | 0 | 0 | 110.9 | E351 | E351-M353 PolarHBondContact O-N 2.72Š| ||
| 354 | F | 86.4 | Confident | 71.9 | Confident | 169 Ų | 169 | 150.9 Ų | 150.9 | 74% | 0.741 | 70% | 0.695 | S | S | * | * | trans | -95.7 | 132.4 | -180 | -63 | -82 | 0 | 0 | 0 | 112.5 | D352 | D352-F354 HydrophobicContact CB-CD2 4.29Å; D352-F354 HydrophobicContact CB-CE2 3.48Å; D352-F354 VanDerWaalsContact CB-CE2 3.48Å; D352-F354 HydrophobicContact CB-CZ 3.62Å; D352-F354 WeakPolarHBondContact O-CD2 3.41Å; D352-F354 VanDerWaalsContact O-CE2 3.32Å; D352-F354 WeakPolarHBondContact O-CE2 3.49Å; D352-F354 PolarHBondContact O-N 2.79Å | ||
| 355 | Y | 87.1 | Confident | 74.7 | Confident | 209 Ų | 209 | 146.2 Ų | 146.2 | 82% | 0.82 | 68% | 0.676 | S | S | * | * | trans | -94.3 | 121.6 | 176.8 | -64.2 | -79 | 0 | 0 | 0 | 111.9 | ||||
| 356 | M | 90.5 | Very high | 77.6 | Confident | 133 Ų | 133 | 141 Ų | 141 | 66% | 0.655 | 66% | 0.657 | S | S | * | * | trans | -108 | 126.2 | 173.8 | -179.3 | 168.6 | 55.2 | 0 | 0 | 110.9 | V358 L367 | M356-V358 HydrophobicContact CE-CG2 4.29Å; M356-V358 HydrophobicContact CG-CG2 4.28Å; M356-V358 PolarHBondContact O-N 2.66Å; M356-L367 HydrophobicContact CE-CD1 3.96Å; M356-L367 HydrophobicContact CE-CD2 4.31Å | ||
| 357 | H | 90.4 | Very high | 80.4 | Confident | 191 Ų | 191 | 133.4 Ų | 133.4 | 88% | 0.884 | 63% | 0.633 | S | S | * | * | trans | -80.2 | 115.2 | 174.3 | -74.3 | 91.7 | 0 | 0 | 0 | 110.4 | ||||
| 358 | V | 94.8 | Very high | 83.1 | Confident | 53 Ų | 53 | 124.9 Ų | 124.9 | 32% | 0.321 | 60% | 0.604 | S | S | . | * | trans | -108.5 | 136.9 | 179.3 | -175.8 | 0 | 0 | 0 | 0 | 110.3 | M356 N363 F364 L367 | M356-V358 HydrophobicContact CE-CG2 4.29Å; M356-V358 HydrophobicContact CG-CG2 4.28Å; M356-V358 PolarHBondContact O-N 2.66Å; V358-N363 HydrophobicContact CG1-CB 3.8Å; V358-F364 HydrophobicContact CB-CB 4.45Å; V358-F364 HydrophobicContact CG1-CB 4.03Å; V358-L367 HydrophobicContact CG1-CD1 3.95Å; V358-L367 HydrophobicContact CG2-CD1 3.68Å | ||
| 359 | R | 90.5 | Very high | 85.2 | Confident | 231 Ų | 231 | 122.7 Ų | 122.7 | 87% | 0.872 | 59% | 0.592 | S | S | * | * | trans | -108.6 | 130.3 | 176 | -172.1 | -178.9 | 179.5 | 99 | -0.5 | 110.4 | N363 | R359-N363 PolarHBondContact O-ND2 3.37Š| ||
| 360 | G | 92.7 | Very high | 87.6 | Confident | 46 Ų | 46 | 123.1 Ų | 123.1 | 47% | 0.474 | 58% | 0.582 | S | S | . | * | S | Bend | trans | 91.6 | 139.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F364 | G360-F364 PolarHBondContact O-N 3.18Š|
| 361 | R | 90.4 | Very high | 89.7 | Confident | 198 Ų | 198 | 120.2 Ų | 120.2 | 75% | 0.747 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67 | -47 | -176.3 | 175.4 | 178.5 | -72.1 | 178.3 | -2.7 | 112.1 | N363 F364 E365 | R361-N363 PolarHBondContact O-N 3.4Å; R361-F364 WeakPolarHBondContact O-CA 3.19Å; R361-F364 WeakPolarHBondContact O-CB 3.31Å; R361-F364 PolarHBondContact O-N 2.8Å; R361-F364 VanDerWaalsContact O-N 3.08Å; R361-E365 VanDerWaalsContact CD-OE1 3.24Å; R361-E365 WeakPolarHBondContact CD-OE1 3.22Å; R361-E365 HydrophobicContact CG-CG 4.31Å; R361-E365 WeakPolarHBondContact CG-OE1 3.26Å; R361-E365 PolarHBondContact O-N 2.85Å |
| 362 | E | 93.1 | Very high | 91.2 | Very high | 147 Ų | 147 | 118.5 Ų | 118.5 | 69% | 0.687 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.7 | -46.4 | -178.6 | -175.4 | 169.6 | -154.8 | 0 | 0 | 112.1 | F364 E365 I366 | E362-F364 VanDerWaalsContact C-N 3.28Å; E362-F364 PolarHBondContact O-N 3.18Å; E362-E365 PolarHBondContact O-N 3.47Å; E362-E365 VanDerWaalsContact O-N 3.16Å; E362-I366 HydrophobicContact CG-CD1 4.07Å; E362-I366 WeakPolarHBondContact O-CG1 3.27Å; E362-I366 PolarHBondContact O-N 3.34Å |
| 363 | N | 93 | Very high | 91.9 | Very high | 89 Ų | 89 | 116.9 Ų | 116.9 | 48% | 0.476 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -55.7 | -41.7 | 172.7 | -64.8 | -27.1 | 0 | 0 | 0 | 112.5 | V358 R359 R361 L367 | V358-N363 HydrophobicContact CG1-CB 3.8Å; R359-N363 PolarHBondContact O-ND2 3.37Å; R361-N363 PolarHBondContact O-N 3.4Å; N363-L367 WeakPolarHBondContact O-CB 3.47Å; N363-L367 WeakPolarHBondContact O-CD1 3.35Å; N363-L367 VanDerWaalsContact O-CG 3.28Å; N363-L367 WeakPolarHBondContact O-CG 3.37Å; N363-L367 PolarHBondContact O-N 3.27Å |
| 364 | F | 96.3 | Very high | 92.5 | Very high | 109 Ų | 109 | 116.7 Ų | 116.7 | 48% | 0.478 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.5 | -42.5 | 177.1 | 171.5 | -91.2 | 0 | 0 | 0 | 112 | V358 G360 R361 E362 L367 M368 | V358-F364 HydrophobicContact CB-CB 4.45Å; V358-F364 HydrophobicContact CG1-CB 4.03Å; G360-F364 PolarHBondContact O-N 3.18Å; R361-F364 WeakPolarHBondContact O-CA 3.19Å; R361-F364 WeakPolarHBondContact O-CB 3.31Å; R361-F364 PolarHBondContact O-N 2.8Å; R361-F364 VanDerWaalsContact O-N 3.08Å; E362-F364 VanDerWaalsContact C-N 3.28Å; E362-F364 PolarHBondContact O-N 3.18Å; F364-L367 PolarHBondContact O-N 2.85Å; F364-M368 HydrophobicContact CE1-CE 4.03Å; F364-M368 HydrophobicContact CE2-CE 3.62Å; F364-M368 HydrophobicContact CZ-CE 3.33Å; F364-M368 WeakPolarHBondContact O-CB 3.19Å; F364-M368 PolarHBondContact O-N 2.94Å |
| 365 | E | 94.3 | Very high | 92.5 | Very high | 87 Ų | 87 | 112.9 Ų | 112.9 | 41% | 0.407 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.8 | -36.9 | 177.4 | -71.7 | 178.5 | -154.1 | 0 | 0 | 112.7 | R361 E362 K369 | R361-E365 VanDerWaalsContact CD-OE1 3.24Å; R361-E365 WeakPolarHBondContact CD-OE1 3.22Å; R361-E365 HydrophobicContact CG-CG 4.31Å; R361-E365 WeakPolarHBondContact CG-OE1 3.26Å; R361-E365 PolarHBondContact O-N 2.85Å; E362-E365 PolarHBondContact O-N 3.47Å; E362-E365 VanDerWaalsContact O-N 3.16Å; E365-K369 WeakPolarHBondContact O-CD 3.47Å; E365-K369 VanDerWaalsContact O-CG 3.27Å; E365-K369 WeakPolarHBondContact O-CG 3.36Å; E365-K369 PolarHBondContact O-N 3.22Å; E365-K369 VanDerWaalsContact O-N 3.12Å |
| 366 | I | 96.4 | Very high | 92.5 | Very high | 87 Ų | 87 | 108.3 Ų | 108.3 | 45% | 0.446 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.2 | -50 | 173.2 | -67.8 | 164.8 | 0 | 0 | 0 | 110 | E362 M368 K369 V370 | E362-I366 HydrophobicContact CG-CD1 4.07Å; E362-I366 WeakPolarHBondContact O-CG1 3.27Å; E362-I366 PolarHBondContact O-N 3.34Å; I366-M368 VanDerWaalsContact C-N 3.32Å; I366-M368 PolarHBondContact O-N 3.06Å; I366-K369 PolarHBondContact O-N 3.35Å; I366-V370 WeakPolarHBondContact O-CG2 3.28Å; I366-V370 PolarHBondContact O-N 3.11Å |
| 367 | L | 96 | Very high | 92.1 | Very high | 74 Ų | 74 | 107 Ų | 107 | 39% | 0.387 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.1 | -31.1 | -179.4 | -71.2 | 167.5 | 0 | 0 | 0 | 112.8 | M356 V358 N363 F364 V370 K371 | M356-L367 HydrophobicContact CE-CD1 3.96Å; M356-L367 HydrophobicContact CE-CD2 4.31Å; V358-L367 HydrophobicContact CG1-CD1 3.95Å; V358-L367 HydrophobicContact CG2-CD1 3.68Å; N363-L367 WeakPolarHBondContact O-CB 3.47Å; N363-L367 WeakPolarHBondContact O-CD1 3.35Å; N363-L367 VanDerWaalsContact O-CG 3.28Å; N363-L367 WeakPolarHBondContact O-CG 3.37Å; N363-L367 PolarHBondContact O-N 3.27Å; F364-L367 PolarHBondContact O-N 2.85Å; L367-V370 PolarHBondContact O-N 2.95Å; L367-K371 PolarHBondContact O-N 3.41Å |
| 368 | M | 94.3 | Very high | 91.6 | Very high | 58 Ų | 58 | 106 Ų | 106 | 29% | 0.286 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.6 | -45.7 | 172.9 | -163.6 | 63.4 | 65.1 | 0 | 0 | 111.5 | F364 I366 V370 K371 E372 | F364-M368 HydrophobicContact CE1-CE 4.03Å; F364-M368 HydrophobicContact CE2-CE 3.62Å; F364-M368 HydrophobicContact CZ-CE 3.33Å; F364-M368 WeakPolarHBondContact O-CB 3.19Å; F364-M368 PolarHBondContact O-N 2.94Å; I366-M368 VanDerWaalsContact C-N 3.32Å; I366-M368 PolarHBondContact O-N 3.06Å; M368-V370 VanDerWaalsContact C-N 3.28Å; M368-V370 PolarHBondContact O-N 3.16Å; M368-K371 WeakPolarHBondContact O-CB 3.45Å; M368-K371 PolarHBondContact O-N 3.19Å; M368-K371 VanDerWaalsContact O-N 3.12Å; M368-K371 HydrophobicContact SD-CD 3.96Å; M368-E372 HydrophobicContact CG-CG 4.4Å; M368-E372 WeakPolarHBondContact O-CG 3.49Å; M368-E372 PolarHBondContact O-N 2.83Å |
| 369 | K | 94.2 | Very high | 91 | Very high | 126 Ų | 126 | 110 Ų | 110 | 55% | 0.548 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.1 | -38 | 175 | -70.9 | 161.5 | -173.7 | 162.7 | 0 | 112 | E365 I366 S373 | E365-K369 WeakPolarHBondContact O-CD 3.47Å; E365-K369 VanDerWaalsContact O-CG 3.27Å; E365-K369 WeakPolarHBondContact O-CG 3.36Å; E365-K369 PolarHBondContact O-N 3.22Å; E365-K369 VanDerWaalsContact O-N 3.12Å; I366-K369 PolarHBondContact O-N 3.35Å; K369-S373 WeakPolarHBondContact O-CB 3.28Å; K369-S373 PolarHBondContact O-N 3.23Å; K369-S373 PolarHBondContact O-OG 3.4Å |
| 370 | V | 95 | Very high | 90.7 | Very high | 71 Ų | 71 | 101.2 Ų | 101.2 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.5 | -48.1 | 172.7 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | I366 L367 M368 S373 L374 | I366-V370 WeakPolarHBondContact O-CG2 3.28Å; I366-V370 PolarHBondContact O-N 3.11Å; L367-V370 PolarHBondContact O-N 2.95Å; M368-V370 VanDerWaalsContact C-N 3.28Å; M368-V370 PolarHBondContact O-N 3.16Å; V370-S373 PolarHBondContact O-N 3.22Å; V370-S373 PolarHBondContact O-OG 2.99Å; V370-L374 HydrophobicContact CG1-CD1 4.1Å; V370-L374 WeakPolarHBondContact O-CG 3.38Å; V370-L374 PolarHBondContact O-N 3.14Å; V370-L374 VanDerWaalsContact O-N 3.13Å |
| 371 | K | 94.1 | Very high | 90.3 | Very high | 89 Ų | 89 | 103.1 Ų | 103.1 | 39% | 0.387 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -55.2 | -55.3 | 175.1 | 175.5 | -169.4 | 172.1 | -72.2 | 0 | 111.5 | L367 M368 S373 L374 E375 | L367-K371 PolarHBondContact O-N 3.41Å; M368-K371 WeakPolarHBondContact O-CB 3.45Å; M368-K371 PolarHBondContact O-N 3.19Å; M368-K371 VanDerWaalsContact O-N 3.12Å; M368-K371 HydrophobicContact SD-CD 3.96Å; K371-S373 VanDerWaalsContact C-N 3.31Å; K371-S373 PolarHBondContact O-N 3.42Å; K371-L374 PolarHBondContact O-N 3.36Å; K371-L374 VanDerWaalsContact O-N 3.13Å; K371-E375 VanDerWaalsContact CE-OE1 3.29Å; K371-E375 WeakPolarHBondContact CE-OE1 3.32Å; K371-E375 IonicContact NZ-OE1 2.63Å; K371-E375 PolarHBondContact NZ-OE1 3.4Å; K371-E375 IonicContact NZ-OE2 3.97Å; K371-E375 PolarHBondContact NZ-OE2 3.42Å; K371-E375 PolarHBondContact O-N 3.07Å |
| 372 | E | 91.4 | Very high | 89.9 | Confident | 105 Ų | 105 | 99 Ų | 99 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.3 | -37.8 | -176.5 | -69.4 | 170.1 | 164.6 | 0 | 0 | 112 | M368 L376 | M368-E372 HydrophobicContact CG-CG 4.4Å; M368-E372 WeakPolarHBondContact O-CG 3.49Å; M368-E372 PolarHBondContact O-N 2.83Å; E372-L376 VanDerWaalsContact O-CB 3.27Å; E372-L376 WeakPolarHBondContact O-CB 3.35Å; E372-L376 PolarHBondContact O-N 2.83Å |
| 373 | S | 91.3 | Very high | 89.6 | Confident | 64 Ų | 64 | 96.9 Ų | 96.9 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.1 | -30.4 | 176.3 | 64.2 | 0 | 0 | 0 | 0 | 113.9 | K369 V370 K371 M377 | K369-S373 WeakPolarHBondContact O-CB 3.28Å; K369-S373 PolarHBondContact O-N 3.23Å; K369-S373 PolarHBondContact O-OG 3.4Å; V370-S373 PolarHBondContact O-N 3.22Å; V370-S373 PolarHBondContact O-OG 2.99Å; K371-S373 VanDerWaalsContact C-N 3.31Å; K371-S373 PolarHBondContact O-N 3.42Å; S373-M377 WeakPolarHBondContact O-CB 3.46Å; S373-M377 PolarHBondContact O-N 3.26Å |
| 374 | L | 90 | Very high | 89.2 | Confident | 114 Ų | 114 | 96.6 Ų | 96.6 | 60% | 0.597 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -72.5 | -45.1 | 174 | -69.8 | 170.4 | 0 | 0 | 0 | 111.3 | V370 K371 L376 M377 E378 | V370-L374 HydrophobicContact CG1-CD1 4.1Å; V370-L374 WeakPolarHBondContact O-CG 3.38Å; V370-L374 PolarHBondContact O-N 3.14Å; V370-L374 VanDerWaalsContact O-N 3.13Å; K371-L374 PolarHBondContact O-N 3.36Å; K371-L374 VanDerWaalsContact O-N 3.13Å; L374-L376 VanDerWaalsContact C-N 3.31Å; L374-L376 PolarHBondContact O-N 3.08Å; L374-M377 WeakPolarHBondContact O-CB 3.4Å; L374-M377 PolarHBondContact O-N 3.49Å; L374-M377 VanDerWaalsContact O-N 3.13Å; L374-E378 PolarHBondContact O-N 2.78Å |
| 375 | E | 87.3 | Confident | 88.6 | Confident | 90 Ų | 90 | 92.7 Ų | 92.7 | 42% | 0.421 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60 | -41 | 173.9 | -69.1 | 170.3 | 141.7 | 0 | 0 | 111.6 | K371 M377 E378 | K371-E375 VanDerWaalsContact CE-OE1 3.29Å; K371-E375 WeakPolarHBondContact CE-OE1 3.32Å; K371-E375 IonicContact NZ-OE1 2.63Å; K371-E375 PolarHBondContact NZ-OE1 3.4Å; K371-E375 IonicContact NZ-OE2 3.97Å; K371-E375 PolarHBondContact NZ-OE2 3.42Å; K371-E375 PolarHBondContact O-N 3.07Å; E375-M377 VanDerWaalsContact C-N 3.35Å; E375-E378 PolarHBondContact O-N 3.31Å |
| 376 | L | 85.7 | Confident | 88.2 | Confident | 113 Ų | 113 | 92.1 Ų | 92.1 | 59% | 0.592 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -66.9 | -34.4 | 174.9 | -173.3 | 64.2 | 0 | 0 | 0 | 112.4 | E372 L374 E378 L379 | E372-L376 VanDerWaalsContact O-CB 3.27Å; E372-L376 WeakPolarHBondContact O-CB 3.35Å; E372-L376 PolarHBondContact O-N 2.83Å; L374-L376 VanDerWaalsContact C-N 3.31Å; L374-L376 PolarHBondContact O-N 3.08Å; L376-E378 VanDerWaalsContact C-N 3.33Å; L376-E378 PolarHBondContact O-N 2.85Å; L376-L379 WeakPolarHBondContact O-CB 3.31Å; L376-L379 PolarHBondContact O-N 2.97Å; L376-L379 VanDerWaalsContact O-N 3.15Å |
| 377 | M | 83.3 | Confident | 87.9 | Confident | 106 Ų | 106 | 90.6 Ų | 90.6 | 52% | 0.522 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.6 | -38.1 | 178.2 | -171.5 | 65.3 | 63.3 | 0 | 0 | 112 | S373 L374 E375 L379 V380 | S373-M377 WeakPolarHBondContact O-CB 3.46Å; S373-M377 PolarHBondContact O-N 3.26Å; L374-M377 WeakPolarHBondContact O-CB 3.4Å; L374-M377 PolarHBondContact O-N 3.49Å; L374-M377 VanDerWaalsContact O-N 3.13Å; E375-M377 VanDerWaalsContact C-N 3.35Å; M377-L379 PolarHBondContact O-N 3.49Å; M377-V380 WeakPolarHBondContact O-CB 3.47Å; M377-V380 PolarHBondContact O-N 3.45Å; M377-V380 VanDerWaalsContact O-N 3.09Å; M377-V380 HydrophobicContact SD-CG2 4.46Å |
| 378 | E | 80 | Confident | 87.2 | Confident | 168 Ų | 168 | 94 Ų | 94 | 79% | 0.785 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.4 | -18.6 | 177.1 | -61 | -155.4 | 154.4 | 0 | 0 | 113.4 | L374 E375 L376 | L374-E378 PolarHBondContact O-N 2.78Å; E375-E378 PolarHBondContact O-N 3.31Å; L376-E378 VanDerWaalsContact C-N 3.33Å; L376-E378 PolarHBondContact O-N 2.85Å |
| 379 | L | 82.2 | Confident | 86.9 | Confident | 138 Ų | 138 | 99.3 Ų | 99.3 | 72% | 0.723 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -8.4 | 174.2 | -58.5 | 176.1 | 0 | 0 | 0 | 113.3 | L376 M377 | L376-L379 WeakPolarHBondContact O-CB 3.31Å; L376-L379 PolarHBondContact O-N 2.97Å; L376-L379 VanDerWaalsContact O-N 3.15Å; M377-L379 PolarHBondContact O-N 3.49Å |
| 380 | V | 83.3 | Confident | 86.4 | Confident | 46 Ų | 46 | 98.9 Ų | 98.9 | 28% | 0.279 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -79.3 | 127.3 | 179.6 | -173.5 | 0 | 0 | 0 | 0 | 110.3 | M377 Q382 L384 V385 | M377-V380 WeakPolarHBondContact O-CB 3.47Å; M377-V380 PolarHBondContact O-N 3.45Å; M377-V380 VanDerWaalsContact O-N 3.09Å; M377-V380 HydrophobicContact SD-CG2 4.46Å; V380-Q382 PolarHBondContact O-N 3.44Å; V380-L384 HydrophobicContact CG1-CB 4.45Å; V380-L384 HydrophobicContact CG1-CD2 4.17Å; V380-V385 HydrophobicContact CB-CG2 4.01Å; V380-V385 HydrophobicContact CG1-CG2 3.59Å |
| 381 | P | 85.7 | Confident | 86 | Confident | 87 Ų | 87 | 100.4 Ų | 100.4 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | trans | -61.3 | 122.4 | 175.7 | -24.2 | 34.7 | 0 | 0 | 0 | 111.9 | P383 L384 V385 | P381-P383 VanDerWaalsContact C-N 3.33Å; P381-P383 VanDerWaalsContact O-N 3.11Å; P381-L384 VanDerWaalsContact O-CB 3.3Å; P381-L384 WeakPolarHBondContact O-CB 3.39Å; P381-L384 PolarHBondContact O-N 2.65Å; P381-V385 PolarHBondContact O-N 3.32Å | ||
| 382 | Q | 80.8 | Confident | 85.4 | Confident | 111 Ų | 111 | 102.3 Ų | 102.3 | 52% | 0.519 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -48.6 | -39.2 | -177.1 | -78.9 | -60.4 | 114.3 | 0 | 0 | 116.1 | V380 L384 V385 D386 | V380-Q382 PolarHBondContact O-N 3.44Å; Q382-L384 PolarHBondContact O-N 3.31Å; Q382-L384 VanDerWaalsContact O-N 3.15Å; Q382-V385 WeakPolarHBondContact O-CB 3.21Å; Q382-V385 PolarHBondContact O-N 2.97Å; Q382-D386 PolarHBondContact O-N 3.44Å |
| 383 | P | 87 | Confident | 85 | Confident | 103 Ų | 103 | 103.1 Ų | 103.1 | 67% | 0.669 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -57.6 | -29.7 | 175.8 | -26.4 | 36 | 0 | 0 | 0 | 114 | P381 S387 | P381-P383 VanDerWaalsContact C-N 3.33Å; P381-P383 VanDerWaalsContact O-N 3.11Å; P383-S387 WeakPolarHBondContact O-CB 3.44Å; P383-S387 PolarHBondContact O-N 3.14Å; P383-S387 VanDerWaalsContact O-N 3.11Å |
| 384 | L | 84.6 | Confident | 84.4 | Confident | 83 Ų | 83 | 105.7 Ų | 105.7 | 44% | 0.435 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -73.8 | -45.1 | 174.4 | -172.7 | 64.5 | 0 | 0 | 0 | 110.8 | V380 P381 Q382 D386 S387 Y388 | V380-L384 HydrophobicContact CG1-CB 4.45Å; V380-L384 HydrophobicContact CG1-CD2 4.17Å; P381-L384 VanDerWaalsContact O-CB 3.3Å; P381-L384 WeakPolarHBondContact O-CB 3.39Å; P381-L384 PolarHBondContact O-N 2.65Å; Q382-L384 PolarHBondContact O-N 3.31Å; Q382-L384 VanDerWaalsContact O-N 3.15Å; L384-D386 VanDerWaalsContact C-N 3.33Å; L384-D386 PolarHBondContact O-N 3.1Å; L384-S387 PolarHBondContact O-N 2.88Å; L384-S387 PolarHBondContact O-OG 3.36Å; L384-Y388 HydrophobicContact CD1-CD2 4.37Å; L384-Y388 HydrophobicContact CD1-CE2 3.89Å; L384-Y388 HydrophobicContact CD2-CE2 4.47Å; L384-Y388 HydrophobicContact CG-CD2 4.17Å; L384-Y388 HydrophobicContact CG-CE2 3.89Å; L384-Y388 WeakPolarHBondContact O-CD2 3.47Å; L384-Y388 PolarHBondContact O-N 3.42Å; L384-Y388 VanDerWaalsContact O-N 3.1Å |
| 385 | V | 83.8 | Confident | 83.7 | Confident | 26 Ų | 26 | 106.6 Ų | 106.6 | 16% | 0.158 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -56.9 | -47.3 | 174.9 | -176 | 0 | 0 | 0 | 0 | 110.7 | V380 P381 Q382 S387 Y388 R389 | V380-V385 HydrophobicContact CB-CG2 4.01Å; V380-V385 HydrophobicContact CG1-CG2 3.59Å; P381-V385 PolarHBondContact O-N 3.32Å; Q382-V385 WeakPolarHBondContact O-CB 3.21Å; Q382-V385 PolarHBondContact O-N 2.97Å; V385-S387 VanDerWaalsContact C-N 3.33Å; V385-S387 PolarHBondContact O-N 3.32Å; V385-Y388 PolarHBondContact O-N 2.76Å; V385-R389 WeakPolarHBondContact O-CG 3.49Å; V385-R389 PolarHBondContact O-N 2.8Å |
| 386 | D | 86 | Confident | 82.9 | Confident | 75 Ų | 75 | 108.7 Ų | 108.7 | 40% | 0.401 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.2 | -35.6 | 178.9 | -67.5 | -35.8 | 0 | 0 | 0 | 112 | Q382 L384 R389 Q390 | Q382-D386 PolarHBondContact O-N 3.44Å; L384-D386 VanDerWaalsContact C-N 3.33Å; L384-D386 PolarHBondContact O-N 3.1Å; D386-R389 PolarHBondContact O-N 3.17Å; D386-Q390 WeakPolarHBondContact O-CG 3.45Å; D386-Q390 PolarHBondContact O-N 3Å |
| 387 | S | 89.1 | Confident | 81.8 | Confident | 56 Ų | 56 | 109.9 Ų | 109.9 | 39% | 0.392 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 174.7 | 79.1 | 0 | 0 | 0 | 0 | 112.7 | P383 L384 V385 Q390 Q391 | P383-S387 WeakPolarHBondContact O-CB 3.44Å; P383-S387 PolarHBondContact O-N 3.14Å; P383-S387 VanDerWaalsContact O-N 3.11Å; L384-S387 PolarHBondContact O-N 2.88Å; L384-S387 PolarHBondContact O-OG 3.36Å; V385-S387 VanDerWaalsContact C-N 3.33Å; V385-S387 PolarHBondContact O-N 3.32Å; S387-Q390 PolarHBondContact O-N 2.6Å; S387-Q391 WeakPolarHBondContact O-CB 3.24Å; S387-Q391 PolarHBondContact O-N 3.1Å |
| 388 | Y | 83.3 | Confident | 80.7 | Confident | 145 Ų | 145 | 111.9 Ų | 111.9 | 57% | 0.569 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.7 | -38.4 | 175 | -80.4 | -66.9 | 0 | 0 | 0 | 111.9 | L384 V385 Q391 Q392 | L384-Y388 HydrophobicContact CD1-CD2 4.37Å; L384-Y388 HydrophobicContact CD1-CE2 3.89Å; L384-Y388 HydrophobicContact CD2-CE2 4.47Å; L384-Y388 HydrophobicContact CG-CD2 4.17Å; L384-Y388 HydrophobicContact CG-CE2 3.89Å; L384-Y388 WeakPolarHBondContact O-CD2 3.47Å; L384-Y388 PolarHBondContact O-N 3.42Å; L384-Y388 VanDerWaalsContact O-N 3.1Å; V385-Y388 PolarHBondContact O-N 2.76Å; Y388-Q391 PolarHBondContact O-N 3.28Å; Y388-Q392 WeakPolarHBondContact O-CB 3.26Å; Y388-Q392 PolarHBondContact O-N 3.25Å |
| 389 | R | 87.1 | Confident | 79.3 | Confident | 170 Ų | 170 | 114.1 Ų | 114.1 | 64% | 0.642 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.7 | -41.9 | 174.7 | -69 | -178.9 | 75 | 134.2 | 5.7 | 111.9 | V385 D386 Q392 Q393 | V385-R389 WeakPolarHBondContact O-CG 3.49Å; V385-R389 PolarHBondContact O-N 2.8Å; D386-R389 PolarHBondContact O-N 3.17Å; R389-Q392 PolarHBondContact O-N 3.13Å; R389-Q393 WeakPolarHBondContact O-CB 3.31Å; R389-Q393 PolarHBondContact O-N 3.35Å |
| 390 | Q | 84.6 | Confident | 77.6 | Confident | 117 Ų | 117 | 112.5 Ų | 112.5 | 55% | 0.547 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64 | -42.4 | 174 | -72.1 | 179.7 | 24.4 | 0 | 0 | 111.8 | D386 S387 Q392 Q393 Q394 | D386-Q390 WeakPolarHBondContact O-CG 3.45Å; D386-Q390 PolarHBondContact O-N 3Å; S387-Q390 PolarHBondContact O-N 2.6Å; Q390-Q392 VanDerWaalsContact C-N 3.35Å; Q390-Q392 PolarHBondContact O-N 2.76Å; Q390-Q393 PolarHBondContact O-N 2.97Å; Q390-Q394 WeakPolarHBondContact O-CG 3.43Å; Q390-Q394 PolarHBondContact O-N 2.99Å |
| 391 | Q | 85.3 | Confident | 76 | Confident | 102 Ų | 102 | 115.8 Ų | 115.8 | 48% | 0.477 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.6 | -43 | 176.2 | -168.9 | -177.2 | 26.9 | 0 | 0 | 111.9 | S387 Y388 Q394 Q395 | S387-Q391 WeakPolarHBondContact O-CB 3.24Å; S387-Q391 PolarHBondContact O-N 3.1Å; Y388-Q391 PolarHBondContact O-N 3.28Å; Q391-Q394 PolarHBondContact O-N 3.12Å; Q391-Q395 PolarHBondContact O-N 2.96Å; Q391-Q395 VanDerWaalsContact O-N 3.11Å |
| 392 | Q | 82.3 | Confident | 74 | Confident | 129 Ų | 129 | 120.4 Ų | 120.4 | 60% | 0.603 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66.2 | -39 | 176.5 | -165.9 | 177.3 | 35.9 | 0 | 0 | 112 | Y388 R389 Q390 Q395 L396 | Y388-Q392 WeakPolarHBondContact O-CB 3.26Å; Y388-Q392 PolarHBondContact O-N 3.25Å; R389-Q392 PolarHBondContact O-N 3.13Å; Q390-Q392 VanDerWaalsContact C-N 3.35Å; Q390-Q392 PolarHBondContact O-N 2.76Å; Q392-Q395 PolarHBondContact O-N 3.16Å; Q392-L396 PolarHBondContact O-N 2.8Å; Q392-L396 VanDerWaalsContact O-N 3.1Å |
| 393 | Q | 82 | Confident | 72.2 | Confident | 123 Ų | 123 | 123.1 Ų | 123.1 | 58% | 0.575 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.6 | -37 | 175.8 | -165.5 | 170.9 | 18.7 | 0 | 0 | 112.2 | R389 Q390 Q395 L396 L397 | R389-Q393 WeakPolarHBondContact O-CB 3.31Å; R389-Q393 PolarHBondContact O-N 3.35Å; Q390-Q393 PolarHBondContact O-N 2.97Å; Q393-Q395 VanDerWaalsContact C-N 3.35Å; Q393-L396 PolarHBondContact O-N 3.33Å; Q393-L397 HydrophobicContact CG-CD1 4.32Å; Q393-L397 WeakPolarHBondContact O-CG 3.14Å; Q393-L397 PolarHBondContact O-N 2.97Å |
| 394 | Q | 79.5 | Confident | 69.7 | Low | 118 Ų | 118 | 127 Ų | 127 | 55% | 0.551 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -68.1 | -29.2 | 173.7 | -73.4 | 179.5 | 11.2 | 0 | 0 | 113.3 | Q390 Q391 Q398 | Q390-Q394 WeakPolarHBondContact O-CG 3.43Å; Q390-Q394 PolarHBondContact O-N 2.99Å; Q391-Q394 PolarHBondContact O-N 3.12Å; Q394-Q398 WeakPolarHBondContact O-CG 3.4Å; Q394-Q398 PolarHBondContact O-NE2 3.37Å |
| 395 | Q | 75 | Confident | 67.9 | Low | 132 Ų | 132 | 129.2 Ų | 129.2 | 62% | 0.617 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -70.7 | -42.1 | 170.5 | -70.7 | -177 | 30.6 | 0 | 0 | 111.6 | Q391 Q392 Q393 L397 Q398 | Q391-Q395 PolarHBondContact O-N 2.96Å; Q391-Q395 VanDerWaalsContact O-N 3.11Å; Q392-Q395 PolarHBondContact O-N 3.16Å; Q393-Q395 VanDerWaalsContact C-N 3.35Å; Q395-L397 VanDerWaalsContact C-N 3.34Å; Q395-L397 PolarHBondContact O-N 2.79Å; Q395-Q398 PolarHBondContact O-N 2.79Å |
| 396 | L | 69.9 | Low | 65.7 | Low | 134 Ų | 134 | 133.8 Ų | 133.8 | 70% | 0.702 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -63 | -38.4 | 177 | -76 | 163 | 0 | 0 | 0 | 112.6 | Q392 Q393 Q398 R399 | Q392-L396 PolarHBondContact O-N 2.8Å; Q392-L396 VanDerWaalsContact O-N 3.1Å; Q393-L396 PolarHBondContact O-N 3.33Å; L396-Q398 PolarHBondContact O-N 3.05Å; L396-R399 PolarHBondContact O-N 2.83Å |
| 397 | L | 64.3 | Low | 63.1 | Low | 139 Ų | 139 | 135.3 Ų | 135.3 | 73% | 0.728 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -15.6 | 177 | -77.9 | 163.5 | 0 | 0 | 0 | 114.4 | Q393 Q395 | Q393-L397 HydrophobicContact CG-CD1 4.32Å; Q393-L397 WeakPolarHBondContact O-CG 3.14Å; Q393-L397 PolarHBondContact O-N 2.97Å; Q395-L397 VanDerWaalsContact C-N 3.34Å; Q395-L397 PolarHBondContact O-N 2.79Å |
| 398 | Q | 59.6 | Low | 60.4 | Low | 148 Ų | 148 | 143.8 Ų | 143.8 | 69% | 0.692 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 2 | -179.6 | -79.5 | 175.2 | 89.7 | 0 | 0 | 114.2 | Q394 Q395 L396 P400 | Q394-Q398 WeakPolarHBondContact O-CG 3.4Å; Q394-Q398 PolarHBondContact O-NE2 3.37Å; Q395-Q398 PolarHBondContact O-N 2.79Å; L396-Q398 PolarHBondContact O-N 3.05Å; Q398-P400 VanDerWaalsContact O-CD 3.3Å; Q398-P400 WeakPolarHBondContact O-CD 3.19Å |
| 399 | R | 50 | Low | 58 | Low | 214 Ų | 214 | 140.4 Ų | 140.4 | 81% | 0.808 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -84.3 | 113.3 | 176.2 | -170.2 | 175 | -174.5 | 169.7 | 2.6 | 110.9 | L396 S401 | L396-R399 PolarHBondContact O-N 2.83Å; R399-S401 PolarHBondContact O-N 3.31Å |
| 400 | P | 47.3 | Very low | 56.2 | Low | 104 Ų | 104 | 138.2 Ų | 138.2 | 68% | 0.675 | 73% | 0.726 | S | S | * | * | trans | -66.5 | 128.7 | -177.3 | -20.6 | 34.3 | 0 | 0 | 0 | 112.1 | Q398 H402 | Q398-P400 VanDerWaalsContact O-CD 3.3Å; Q398-P400 WeakPolarHBondContact O-CD 3.19Å; P400-H402 PolarHBondContact O-N 3.38Å | ||
| 401 | S | 49.9 | Very low | 53.8 | Low | 115 Ų | 115 | 138.8 Ų | 138.8 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | trans | -83.6 | 72.1 | -176.7 | -55.2 | 0 | 0 | 0 | 0 | 112.8 | R399 | R399-S401 PolarHBondContact O-N 3.31Š| ||
| 402 | H | 42.2 | Very low | 51.2 | Low | 185 Ų | 185 | 141.8 Ų | 141.8 | 86% | 0.856 | 76% | 0.755 | S | S | * | * | trans | -91.2 | 105.7 | 169.6 | -85.6 | -84.3 | 0 | 0 | 0 | 111.7 | P400 | P400-H402 PolarHBondContact O-N 3.38Š| ||
| 403 | L | 42.8 | Very low | 48.9 | Very low | 168 Ų | 168 | 141.3 Ų | 141.3 | 88% | 0.88 | 77% | 0.766 | S | S | * | * | trans | -95.8 | 110.1 | 174.9 | -73.2 | 166.6 | 0 | 0 | 0 | 111.1 | ||||
| 404 | Q | 35.1 | Very low | 47 | Very low | 185 Ų | 185 | 141.6 Ų | 141.6 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -151 | 134.9 | 152.7 | -79.1 | -157.3 | -24 | 0 | 0 | 110.7 | ||||
| 405 | P | 47.1 | Very low | 44.7 | Very low | 129 Ų | 129 | 144 Ų | 144 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | -102.2 | 140.5 | 170.8 | 36.1 | -29.7 | 0 | 0 | 0 | 112.4 | ||||
| 406 | P | 37.6 | Very low | 42.6 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | -135.5 | 127.8 | 151.4 | 32.6 | -16.9 | 0 | 0 | 0 | 114.8 | ||||
| 407 | S | 31.4 | Very low | 40.8 | Very low | 107 Ų | 107 | 147.3 Ų | 147.3 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | 14.9 | 139.9 | 141.1 | -168.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 408 | Y | 33 | Very low | 39.2 | Very low | 234 Ų | 234 | 146.6 Ų | 146.6 | 92% | 0.918 | 81% | 0.806 | S | S | * | * | trans | 2.1 | 124.9 | 146.7 | -74.7 | -97.4 | 0 | 0 | 0 | 118.8 | ||||
| 409 | G | 31.1 | Very low | 37.9 | Very low | 75 Ų | 75 | 148.7 Ų | 148.7 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | 174.6 | 137.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 410 | P | 49.4 | Very low | 36.8 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | trans | -100.1 | 151 | -172.8 | 37.1 | -34.4 | 0 | 0 | 0 | 115.5 | ||||
| 411 | V | 34.3 | Very low | 36 | Very low | 130 Ų | 130 | 140.5 Ų | 140.5 | 79% | 0.788 | 82% | 0.816 | S | S | * | * | trans | 55.7 | 114.3 | 147.1 | 179.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 412 | L | 31.8 | Very low | 35.3 | Very low | 164 Ų | 164 | 141.5 Ų | 141.5 | 86% | 0.859 | 82% | 0.817 | S | S | * | * | 176.7 | 142.7 | 120.4 | -94.7 | -178.2 | 0 | 0 | 0 | 111.6 | |||||
| 413 | S | 34 | Very low | 34.8 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | -95.6 | 143.6 | 173.3 | -52.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 414 | P | 42.2 | Very low | 34.3 | Very low | 129 Ų | 129 | 141.7 Ų | 141.7 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | trans | -111.1 | 154.5 | 153.9 | -1.9 | 23.4 | 0 | 0 | 0 | 112.7 | ||||
| 415 | M | 30.5 | Very low | 34.3 | Very low | 168 Ų | 168 | 140.8 Ų | 140.8 | 83% | 0.828 | 82% | 0.817 | S | S | * | * | trans | -89.2 | 163.6 | -172.9 | -57 | 174.9 | 83.5 | 0 | 0 | 114.9 | ||||
| 416 | N | 31.4 | Very low | 33.7 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 69% | 0.69 | 82% | 0.815 | S | S | * | * | trans | 63.1 | 117.7 | 142.9 | -81.2 | -37.2 | 0 | 0 | 0 | 120.1 | ||||
| 417 | K | 31.2 | Very low | 33.4 | Very low | 207 Ų | 207 | 140.4 Ų | 140.4 | 90% | 0.9 | 82% | 0.817 | S | S | * | * | -164.6 | 150.9 | 94.2 | -105 | 168.3 | -175.6 | 174.4 | 0 | 114.2 | |||||
| 418 | V | 31.8 | Very low | 33.6 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | trans | -63.8 | 143.4 | 171.2 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 419 | H | 30.7 | Very low | 33.4 | Very low | 192 Ų | 192 | 137.5 Ų | 137.5 | 89% | 0.889 | 81% | 0.813 | S | S | * | * | trans | -147 | 137.5 | 138.7 | -100.9 | 74 | 0 | 0 | 0 | 108.9 | ||||
| 420 | G | 28.6 | Very low | 33.3 | Very low | 77 Ų | 77 | 143 Ų | 143 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | trans | -92.3 | 149.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 421 | G | 29.2 | Very low | 32.5 | Very low | 69 Ų | 69 | 145.2 Ų | 145.2 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | trans | -162.9 | 107.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 422 | V | 36 | Very low | 32.5 | Very low | 136 Ų | 136 | 146.4 Ų | 146.4 | 82% | 0.824 | 83% | 0.83 | S | S | * | * | trans | -69.8 | 137.1 | 173.3 | -76.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 423 | N | 31.6 | Very low | 32.3 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 88% | 0.877 | 83% | 0.828 | S | S | * | * | trans | -124.9 | 107.6 | 164.2 | -84.1 | -62.2 | 0 | 0 | 0 | 109.2 | ||||
| 424 | K | 32 | Very low | 32.1 | Very low | 194 Ų | 194 | 145.3 Ų | 145.3 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 152.2 | 170.7 | -71.2 | -177.4 | 176 | -179.1 | 0 | 109.7 | ||
| 425 | L | 34.8 | Very low | 31.9 | Very low | 166 Ų | 166 | 144.5 Ų | 144.5 | 87% | 0.869 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 143.2 | 165.3 | -68.2 | 161.9 | 0 | 0 | 0 | 110.3 | ||
| 426 | P | 35.4 | Very low | 32.7 | Very low | 123 Ų | 123 | 141 Ų | 141 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 140.6 | 174.7 | 29.1 | -34 | 0 | 0 | 0 | 111 | ||
| 427 | S | 31.2 | Very low | 32.9 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 145 | 179.5 | -170.4 | 0 | 0 | 0 | 0 | 111.7 | ||
| 428 | V | 34.6 | Very low | 32.8 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | -91.9 | 110.1 | 175.5 | 177.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 429 | N | 30.2 | Very low | 32.5 | Very low | 152 Ų | 152 | 138.7 Ų | 138.7 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | trans | -179.7 | 114.7 | 143.7 | -102 | -45.3 | 0 | 0 | 0 | 112.2 | ||||
| 430 | Q | 29.2 | Very low | 32.4 | Very low | 190 Ų | 190 | 135 Ų | 135 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | trans | -170.7 | 106.6 | 151.8 | -118.3 | 171.2 | 90.3 | 0 | 0 | 111.8 | ||||
| 431 | L | 32.6 | Very low | 32.3 | Very low | 171 Ų | 171 | 136.2 Ų | 136.2 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | -166.3 | 131.8 | 129.4 | -131.6 | 78.6 | 0 | 0 | 0 | 110.3 | |||||
| 432 | V | 32.5 | Very low | 32.3 | Very low | 154 Ų | 154 | 138 Ų | 138 | 93% | 0.933 | 82% | 0.823 | S | S | * | * | trans | -141 | 127.5 | 171.2 | 170.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 433 | G | 28.5 | Very low | 31.8 | Very low | 79 Ų | 79 | 134.9 Ų | 134.9 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | trans | -178.3 | 81.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 434 | Q | 29.8 | Very low | 32.6 | Very low | 182 Ų | 182 | 132.7 Ų | 132.7 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | trans | -50.2 | 175.9 | 168 | -86.6 | -166.4 | 4.1 | 0 | 0 | 117.5 | ||||
| 435 | P | 38.5 | Very low | 32.3 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | cis | -138.8 | -129.1 | -32.1 | 43.6 | -22.6 | 0 | 0 | 0 | 112.6 | ||||
| 436 | P | 46.7 | Very low | 32 | Very low | 94 Ų | 94 | 129.9 Ų | 129.9 | 61% | 0.61 | 81% | 0.807 | S | S | * | * | trans | -128.6 | -168.3 | -147 | 40.7 | -16 | 0 | 0 | 0 | 116.1 | ||||
| 437 | P | 34.9 | Very low | 31.7 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | trans | -118.8 | 169.3 | 144.7 | 35.8 | -27.4 | 0 | 0 | 0 | 113.2 | ||||
| 438 | H | 30 | Very low | 32.2 | Very low | 171 Ų | 171 | 127.5 Ų | 127.5 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | trans | -111.2 | 175 | -162.7 | -79.3 | -107.2 | 0 | 0 | 0 | 115.5 | ||||
| 439 | S | 24.8 | Very low | 32.1 | Very low | 114 Ų | 114 | 130.8 Ų | 130.8 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | 93.5 | 155.4 | 151.1 | 80.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 440 | S | 29.4 | Very low | 31.9 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | cis | -170.9 | 140.6 | -43.6 | -98.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 441 | A | 27.2 | Very low | 31.8 | Very low | 102 Ų | 102 | 124.3 Ų | 124.3 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | trans | 44.2 | 120.3 | 152.1 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 442 | A | 27.8 | Very low | 31.5 | Very low | 106 Ų | 106 | 120.1 Ų | 120.1 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | -178.1 | 150.8 | 129 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 443 | G | 26.2 | Very low | 31.3 | Very low | 71 Ų | 71 | 120.8 Ų | 120.8 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | trans | -125.4 | -150 | 156.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 444 | P | 48.2 | Very low | 31.3 | Very low | 119 Ų | 119 | 124.3 Ų | 124.3 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | cis | -132.6 | -177.8 | -16.2 | 42.4 | -27 | 0 | 0 | 0 | 113.2 | ||||
| 445 | N | 25.8 | Very low | 31.1 | Very low | 135 Ų | 135 | 122.8 Ų | 122.8 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | trans | 165.5 | 134 | 146 | -89 | -42.5 | 0 | 0 | 0 | 109.6 | ||||
| 446 | L | 29.1 | Very low | 30.4 | Very low | 166 Ų | 166 | 121.9 Ų | 121.9 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | 53.8 | 120.3 | 73.2 | -54.6 | -177 | 0 | 0 | 0 | 111.8 | |||||
| 447 | G | 27.9 | Very low | 29.7 | Very low | 73 Ų | 73 | 126.7 Ų | 126.7 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | cis | 144 | -169.8 | 21.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 448 | P | 42.8 | Very low | 29.4 | Very low | 117 Ų | 117 | 124.1 Ų | 124.1 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | cis | -134.7 | 175.6 | -28 | 42.8 | -27.4 | 0 | 0 | 0 | 114.3 | ||||
| 449 | M | 31.5 | Very low | 29.5 | Very low | 197 Ų | 197 | 125.4 Ų | 125.4 | 97% | 0.97 | 81% | 0.813 | S | S | * | * | trans | 57.2 | 155.6 | 157 | -69.6 | 177.1 | 167.9 | 0 | 0 | 120.9 | ||||
| 450 | G | 27.2 | Very low | 29.6 | Very low | 69 Ų | 69 | 125.5 Ų | 125.5 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | cis | 166 | 142.3 | -11.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 451 | S | 27.3 | Very low | 29.8 | Very low | 138 Ų | 138 | 128.4 Ų | 128.4 | 97% | 0.965 | 82% | 0.817 | S | S | * | * | trans | 55 | 136.6 | 158.8 | -57.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 452 | G | 26.5 | Very low | 30.7 | Very low | 83 Ų | 83 | 129.3 Ų | 129.3 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | trans | 174.4 | 75.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 453 | M | 27.8 | Very low | 30.8 | Very low | 167 Ų | 167 | 129.1 Ų | 129.1 | 82% | 0.823 | 81% | 0.813 | S | S | * | * | trans | -28.1 | 144.4 | 173 | -66.7 | 162.9 | 64.6 | 0 | 0 | 123 | ||||
| 454 | L | 27.9 | Very low | 31 | Very low | 153 Ų | 153 | 133.5 Ų | 133.5 | 80% | 0.801 | 82% | 0.82 | S | S | * | * | trans | 53.8 | 123.3 | 135 | -60.5 | 174.9 | 0 | 0 | 0 | 123.9 | ||||
| 455 | N | 25 | Very low | 30.2 | Very low | 150 Ų | 150 | 130.5 Ų | 130.5 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | -166 | 116.1 | 122.9 | -134.2 | 13.4 | 0 | 0 | 0 | 108.7 | |||||
| 456 | S | 24.9 | Very low | 30.4 | Very low | 93 Ų | 93 | 133.1 Ų | 133.1 | 65% | 0.65 | 82% | 0.818 | S | S | * | * | 55.4 | 122.8 | 75.5 | -156.7 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 457 | H | 32.2 | Very low | 30.8 | Very low | 194 Ų | 194 | 133.1 Ų | 133.1 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | trans | -142.1 | 126.2 | 157.6 | -94.7 | 50.9 | 0 | 0 | 0 | 106.9 | ||||
| 458 | G | 28.1 | Very low | 31 | Very low | 74 Ų | 74 | 138 Ų | 138 | 76% | 0.763 | 83% | 0.825 | S | S | * | * | trans | -110.9 | 157 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 459 | H | 31.3 | Very low | 30.3 | Very low | 198 Ų | 198 | 136 Ų | 136 | 92% | 0.917 | 83% | 0.825 | S | S | * | * | trans | -103.9 | 149 | 167.9 | -74.8 | -75.4 | 0 | 0 | 0 | 111 | ||||
| 460 | S | 27.7 | Very low | 30.2 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | trans | -83.6 | 142.7 | -169.8 | 52.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 461 | M | 32.5 | Very low | 30.5 | Very low | 175 Ų | 175 | 136.5 Ų | 136.5 | 86% | 0.862 | 83% | 0.828 | S | S | * | * | trans | -106.3 | 144.7 | 163.2 | -69.2 | -79.1 | -79.3 | 0 | 0 | 110 | ||||
| 462 | P | 46.6 | Very low | 30.5 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 79% | 0.792 | 82% | 0.823 | S | S | * | * | trans | -79.5 | 151.9 | 155.6 | 34.5 | -31.4 | 0 | 0 | 0 | 110 | ||||
| 463 | A | 30.8 | Very low | 30.8 | Very low | 102 Ų | 102 | 137.3 Ų | 137.3 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | trans | -112.6 | 150.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 464 | N | 30.2 | Very low | 31 | Very low | 163 Ų | 163 | 138.4 Ų | 138.4 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | trans | -153 | 159.2 | 138.9 | -152.9 | 35.9 | 0 | 0 | 0 | 109.2 | ||||
| 465 | G | 31.7 | Very low | 31 | Very low | 56 Ų | 56 | 137.3 Ų | 137.3 | 58% | 0.577 | 82% | 0.823 | S | S | * | * | trans | -164.7 | 160.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 466 | E | 29.7 | Very low | 31.4 | Very low | 189 Ų | 189 | 139.3 Ų | 139.3 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | trans | -142.2 | 160.1 | 174.1 | -89.2 | 178.7 | 109.7 | 0 | 0 | 109.7 | ||||
| 467 | M | 37 | Very low | 31.7 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | trans | -128.1 | 136 | -161.3 | -50.2 | 85.9 | 72.3 | 0 | 0 | 113.4 | ||||
| 468 | N | 32.1 | Very low | 32 | Very low | 176 Ų | 176 | 138.1 Ų | 138.1 | 94% | 0.941 | 84% | 0.838 | S | S | * | * | trans | 175.1 | 151.3 | 150.1 | -94.7 | -52.9 | 0 | 0 | 0 | 108.3 | ||||
| 469 | G | 29 | Very low | 32.1 | Very low | 75 Ų | 75 | 137.8 Ų | 137.8 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | cis | 153.1 | 102.8 | -5.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 470 | G | 28 | Very low | 32.1 | Very low | 79 Ų | 79 | 133.5 Ų | 133.5 | 81% | 0.814 | 83% | 0.826 | S | S | * | * | trans | 156.6 | 134 | 174 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 471 | H | 34.2 | Very low | 32.3 | Very low | 198 Ų | 198 | 137 Ų | 137 | 92% | 0.917 | 83% | 0.829 | S | S | * | * | trans | -119.5 | 142.1 | 176.6 | -85.8 | -84.4 | 0 | 0 | 0 | 111.4 | ||||
| 472 | S | 28.2 | Very low | 32.5 | Very low | 123 Ų | 123 | 133.8 Ų | 133.8 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | trans | -142.6 | 135.5 | 163.8 | -74.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 473 | S | 32.7 | Very low | 31.9 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -5.2 | 120 | 170.7 | -38.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 474 | Q | 31.4 | Very low | 32.2 | Very low | 189 Ų | 189 | 134.9 Ų | 134.9 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | 26.5 | 131.5 | 134.1 | -55.6 | -176.5 | 11.7 | 0 | 0 | 121.8 | ||||
| 475 | T | 28.2 | Very low | 32.6 | Very low | 130 Ų | 130 | 131.2 Ų | 131.2 | 80% | 0.798 | 80% | 0.804 | S | S | * | * | -159.4 | 140.9 | 115 | -72.2 | 0 | 0 | 0 | 0 | 108.7 | V477 | T475-V477 HydrophobicContact CG2-CG2 4.42Š| |||
| 476 | M | 32.1 | Very low | 33 | Very low | 192 Ų | 192 | 133.5 Ų | 133.5 | 95% | 0.946 | 81% | 0.809 | S | S | * | * | trans | -94.9 | 126.4 | 174.1 | -72 | -169.8 | -179.7 | 0 | 0 | 111.5 | ||||
| 477 | V | 32.3 | Very low | 33.9 | Very low | 132 Ų | 132 | 129.4 Ų | 129.4 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | trans | -140 | 130.7 | 161.3 | -178.8 | 0 | 0 | 0 | 0 | 107.9 | T475 G479 | T475-V477 HydrophobicContact CG2-CG2 4.42Å; V477-G479 PolarHBondContact O-N 2.96Å | ||
| 478 | S | 38.6 | Very low | 34.6 | Very low | 131 Ų | 131 | 127.9 Ų | 127.9 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | trans | -71.8 | 118.7 | 174.2 | -62.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 479 | G | 29.5 | Very low | 36 | Very low | 67 Ų | 67 | 127 Ų | 127 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | -133 | 143.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V477 | V477-G479 PolarHBondContact O-N 2.96Š| ||
| 480 | S | 32.2 | Very low | 38 | Very low | 107 Ų | 107 | 124.6 Ų | 124.6 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | -70.6 | 138.4 | 179.5 | 44.4 | 0 | 0 | 0 | 0 | 111.9 | C482 | S480-C482 VanDerWaalsContact C-N 3.35Å; S480-C482 PolarHBondContact O-N 3.43Å | ||
| 481 | H | 32.2 | Very low | 40.5 | Very low | 189 Ų | 189 | 123.3 Ų | 123.3 | 88% | 0.875 | 72% | 0.722 | S | S | * | * | trans | -79.9 | 80.1 | 179.4 | 16.2 | -92 | 0 | 0 | 0 | 111.1 | ||||
| 482 | C | 35.2 | Very low | 42.7 | Very low | 109 Ų | 109 | 118.9 Ų | 118.9 | 74% | 0.736 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 127.8 | 157.3 | -69.4 | 0 | 0 | 0 | 0 | 109.1 | S480 | S480-C482 VanDerWaalsContact C-N 3.35Å; S480-C482 PolarHBondContact O-N 3.43Å |
| 483 | T | 34.4 | Very low | 45.3 | Very low | 131 Ų | 131 | 114.9 Ų | 114.9 | 80% | 0.804 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 133.5 | 169.4 | 45.9 | 0 | 0 | 0 | 0 | 110.1 | ||
| 484 | P | 37 | Very low | 47.8 | Very low | 115 Ų | 115 | 109.4 Ų | 109.4 | 75% | 0.747 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -65 | 144.2 | 175.3 | 28 | -34.3 | 0 | 0 | 0 | 110.6 | ||
| 485 | P | 39.9 | Very low | 50.4 | Low | 86 Ų | 86 | 102.9 Ų | 102.9 | 56% | 0.558 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 155 | 173.3 | 29.4 | -34.7 | 0 | 0 | 0 | 111 | ||
| 486 | P | 40.3 | Very low | 53.1 | Low | 104 Ų | 104 | 100.7 Ų | 100.7 | 68% | 0.675 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 154.2 | 174.4 | 28.7 | -35.5 | 0 | 0 | 0 | 111.3 | Y488 | P486-Y488 PolarHBondContact O-N 3.18Š|
| 487 | P | 48.2 | Very low | 55.7 | Low | 104 Ų | 104 | 93 Ų | 93 | 68% | 0.675 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 129.2 | -178.2 | 25 | -34.3 | 0 | 0 | 0 | 112.1 | H489 | P487-H489 PolarHBondContact O-CD2 3.2Å; P487-H489 PolarHBondContact O-N 3.31Å |
| 488 | Y | 50.8 | Low | 58.3 | Low | 133 Ų | 133 | 86.7 Ų | 86.7 | 52% | 0.522 | 53% | 0.531 | S | S | . | . | trans | -71.7 | 109.9 | 178.5 | -62.1 | -71.2 | 0 | 0 | 0 | 111.2 | P486 | P486-Y488 PolarHBondContact O-N 3.18Š| ||
| 489 | H | 62.6 | Low | 60.7 | Low | 158 Ų | 158 | 84 Ų | 84 | 73% | 0.731 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -81.2 | 133.4 | 173.2 | -70.7 | -83.4 | 0 | 0 | 0 | 111 | P487 | P487-H489 PolarHBondContact O-CD2 3.2Å; P487-H489 PolarHBondContact O-N 3.31Å |
| 490 | A | 69.4 | Low | 63.3 | Low | 25 Ų | 25 | 84.2 Ų | 84.2 | 21% | 0.207 | 51% | 0.511 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 143.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L494 V495 I507 T511 | A490-L494 HydrophobicContact CB-CD2 4.49Å; A490-V495 HydrophobicContact CB-CG2 3.61Å; A490-I507 HydrophobicContact CB-CG2 3.95Å; A490-T511 HydrophobicContact CB-CG2 3.7Å |
| 491 | D | 80.3 | Confident | 65.8 | Low | 52 Ų | 52 | 81.4 Ų | 81.4 | 28% | 0.278 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 131.6 | 166.2 | 178.7 | -8.3 | 0 | 0 | 0 | 109.8 | S493 L494 V495 Q516 S517 | D491-S493 PolarHBondContact O-N 3.04Å; D491-S493 WeakPolarHBondContact OD1-CB 3.05Å; D491-S493 PolarHBondContact OD1-N 3.41Å; D491-S493 PolarHBondContact OD1-OG 2.96Å; D491-S493 PolarHBondContact OD2-OG 3.25Å; D491-L494 WeakPolarHBondContact O-CB 3.18Å; D491-L494 PolarHBondContact O-N 3.05Å; D491-V495 PolarHBondContact O-N 3.4Å; D491-V495 VanDerWaalsContact O-N 3.12Å; D491-Q516 WeakPolarHBondContact CB-O 3.49Å; D491-Q516 PolarHBondContact N-O 3.27Å; D491-S517 WeakPolarHBondContact OD2-CB 3.48Å; D491-S517 PolarHBondContact OD2-OG 2.99Å |
| 492 | P | 81.6 | Confident | 68.3 | Low | 104 Ų | 104 | 74.7 Ų | 74.7 | 68% | 0.675 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -48.3 | -27.6 | 170.4 | -30.1 | 36.6 | 0 | 0 | 0 | 114.8 | S496 | P492-S496 WeakPolarHBondContact O-CB 3.47Å; P492-S496 PolarHBondContact O-N 2.87Å |
| 493 | S | 82.8 | Confident | 70.8 | Confident | 40 Ų | 40 | 69.5 Ų | 69.5 | 28% | 0.28 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 173.7 | 79.7 | 0 | 0 | 0 | 0 | 112.6 | D491 S496 F497 | D491-S493 PolarHBondContact O-N 3.04Å; D491-S493 WeakPolarHBondContact OD1-CB 3.05Å; D491-S493 PolarHBondContact OD1-N 3.41Å; D491-S493 PolarHBondContact OD1-OG 2.96Å; D491-S493 PolarHBondContact OD2-OG 3.25Å; S493-S496 PolarHBondContact O-N 2.99Å; S493-F497 WeakPolarHBondContact O-CB 3.35Å; S493-F497 PolarHBondContact O-N 2.84Å |
| 494 | L | 85.2 | Confident | 73.1 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -69 | -42.3 | 178.6 | 176.7 | 61.5 | 0 | 0 | 0 | 111.3 | A490 D491 F497 L498 F510 L515 L521 | A490-L494 HydrophobicContact CB-CD2 4.49Å; D491-L494 WeakPolarHBondContact O-CB 3.18Å; D491-L494 PolarHBondContact O-N 3.05Å; L494-F497 PolarHBondContact O-N 2.84Å; L494-L498 HydrophobicContact CD1-CD1 3.73Å; L494-L498 HydrophobicContact CD1-CG 4.12Å; L494-L498 HydrophobicContact CG-CD1 4.13Å; L494-L498 PolarHBondContact O-N 3.28Å; L494-F510 HydrophobicContact CD2-CB 4.31Å; L494-L515 WeakPolarHBondContact CD2-O 3.2Å; L494-L521 HydrophobicContact CD1-CD1 3.82Å; L494-L521 HydrophobicContact CD1-CD2 3.62Å; L494-L521 HydrophobicContact CD1-CG 4.41Å |
| 495 | V | 85.1 | Confident | 75.3 | Confident | 52 Ų | 52 | 66.6 Ų | 66.6 | 32% | 0.315 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 175.3 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | A490 D491 T499 I507 | A490-V495 HydrophobicContact CB-CG2 3.61Å; D491-V495 PolarHBondContact O-N 3.4Å; D491-V495 VanDerWaalsContact O-N 3.12Å; V495-T499 VanDerWaalsContact O-CB 3.22Å; V495-T499 WeakPolarHBondContact O-CB 3.44Å; V495-T499 PolarHBondContact O-N 2.64Å; V495-T499 PolarHBondContact O-OG1 3.23Å; V495-I507 HydrophobicContact CB-CD1 4.31Å; V495-I507 HydrophobicContact CG1-CD1 4.01Å; V495-I507 HydrophobicContact CG2-CD1 4.26Å |
| 496 | S | 85.3 | Confident | 77.4 | Confident | 83 Ų | 83 | 62.5 Ų | 62.5 | 58% | 0.58 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -62.1 | -44.5 | 178.1 | -170.6 | 0 | 0 | 0 | 0 | 111.9 | P492 S493 T499 G500 | P492-S496 WeakPolarHBondContact O-CB 3.47Å; P492-S496 PolarHBondContact O-N 2.87Å; S493-S496 PolarHBondContact O-N 2.99Å; S496-T499 PolarHBondContact O-N 3.21Å; S496-G500 PolarHBondContact O-N 2.87Å |
| 497 | F | 87.4 | Confident | 79.5 | Confident | 31 Ų | 31 | 59 Ų | 59 | 14% | 0.136 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62 | -53.1 | 178.7 | 175.5 | -106.7 | 0 | 0 | 0 | 112.8 | S493 L494 T499 G500 L501 I518 L546 | S493-F497 WeakPolarHBondContact O-CB 3.35Å; S493-F497 PolarHBondContact O-N 2.84Å; L494-F497 PolarHBondContact O-N 2.84Å; F497-T499 VanDerWaalsContact C-N 3.31Å; F497-T499 PolarHBondContact O-N 2.76Å; F497-G500 PolarHBondContact O-N 3.29Å; F497-L501 HydrophobicContact CD1-CD1 4.23Å; F497-L501 HydrophobicContact CD2-CD1 4.38Å; F497-L501 HydrophobicContact CE1-CD1 3.71Å; F497-L501 HydrophobicContact CE2-CD1 3.88Å; F497-L501 HydrophobicContact CZ-CD1 3.52Å; F497-L501 WeakPolarHBondContact O-CG 3.34Å; F497-L501 PolarHBondContact O-N 3.2Å; F497-I518 HydrophobicContact CB-CD1 3.78Å; F497-I518 HydrophobicContact CD1-CD1 4.3Å; F497-I518 HydrophobicContact CD1-CG1 4.46Å; F497-I518 HydrophobicContact CD2-CD1 3.85Å; F497-I518 HydrophobicContact CE2-CD1 4.49Å; F497-I518 HydrophobicContact CG-CD1 3.73Å; F497-I518 HydrophobicContact CG-CG1 4.37Å; F497-L546 HydrophobicContact CE1-CD2 3.69Å; F497-L546 HydrophobicContact CE1-CG 4.13Å; F497-L546 HydrophobicContact CZ-CD2 3.65Å; F497-L546 HydrophobicContact CZ-CG 3.95Å |
| 498 | L | 87.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.6 | -30 | -179.6 | -67.2 | 172.4 | 0 | 0 | 0 | 112.6 | L494 G502 C503 I507 F510 I542 | L494-L498 HydrophobicContact CD1-CD1 3.73Å; L494-L498 HydrophobicContact CD1-CG 4.12Å; L494-L498 HydrophobicContact CG-CD1 4.13Å; L494-L498 PolarHBondContact O-N 3.28Å; L498-G502 PolarHBondContact O-N 2.64Å; L498-C503 CarbonylContact O-C 3.43Å; L498-C503 PolarHBondContact O-N 3.09Å; L498-C503 PolarHBondContact O-SG 3.39Å; L498-C503 VanDerWaalsContact O-SG 3.38Å; L498-I507 HydrophobicContact CB-CG1 4.06Å; L498-I507 HydrophobicContact CD1-CB 4.42Å; L498-I507 HydrophobicContact CD1-CG1 3.69Å; L498-F510 HydrophobicContact CD1-CD2 3.53Å; L498-F510 HydrophobicContact CD1-CE2 3.75Å; L498-F510 HydrophobicContact CD2-CE2 3.94Å; L498-I542 HydrophobicContact CD2-CD1 4.13Å; L498-I542 HydrophobicContact CD2-CG1 4.06Å; L498-I542 HydrophobicContact CD2-CG2 4.45Å |
| 499 | T | 87.2 | Confident | 82.7 | Confident | 75 Ų | 75 | 56 Ų | 56 | 46% | 0.46 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68.9 | -42.3 | 171.2 | -55.2 | 0 | 0 | 0 | 0 | 111.4 | V495 S496 F497 L501 G502 | V495-T499 VanDerWaalsContact O-CB 3.22Å; V495-T499 WeakPolarHBondContact O-CB 3.44Å; V495-T499 PolarHBondContact O-N 2.64Å; V495-T499 PolarHBondContact O-OG1 3.23Å; S496-T499 PolarHBondContact O-N 3.21Å; F497-T499 VanDerWaalsContact C-N 3.31Å; F497-T499 PolarHBondContact O-N 2.76Å; T499-L501 VanDerWaalsContact C-N 3.27Å; T499-L501 PolarHBondContact O-N 2.9Å; T499-G502 PolarHBondContact O-N 2.84Å |
| 500 | G | 84.9 | Confident | 83.7 | Confident | 70 Ų | 70 | 48.5 Ų | 48.5 | 72% | 0.722 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -64.2 | -28.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S496 F497 G502 | S496-G500 PolarHBondContact O-N 2.87Å; F497-G500 PolarHBondContact O-N 3.29Å; G500-G502 VanDerWaalsContact C-N 3.29Å |
| 501 | L | 85.5 | Confident | 84.3 | Confident | 48 Ų | 48 | 48.3 Ų | 48.3 | 25% | 0.251 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 7.5 | 171.1 | -65.1 | 178.4 | 0 | 0 | 0 | 113.9 | F497 T499 C503 | F497-L501 HydrophobicContact CD1-CD1 4.23Å; F497-L501 HydrophobicContact CD2-CD1 4.38Å; F497-L501 HydrophobicContact CE1-CD1 3.71Å; F497-L501 HydrophobicContact CE2-CD1 3.88Å; F497-L501 HydrophobicContact CZ-CD1 3.52Å; F497-L501 WeakPolarHBondContact O-CG 3.34Å; F497-L501 PolarHBondContact O-N 3.2Å; T499-L501 VanDerWaalsContact C-N 3.27Å; T499-L501 PolarHBondContact O-N 2.9Å; L501-C503 VanDerWaalsContact C-N 3.27Å; L501-C503 PolarHBondContact O-N 3.43Å |
| 502 | G | 84.1 | Confident | 84.2 | Confident | 49 Ų | 49 | 50.3 Ų | 50.3 | 51% | 0.505 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 18.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L498 T499 G500 | L498-G502 PolarHBondContact O-N 2.64Å; T499-G502 PolarHBondContact O-N 2.84Å; G500-G502 VanDerWaalsContact C-N 3.29Å |
| 503 | C | 86.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | trans | -127.8 | 46.1 | -175.4 | 55.5 | 0 | 0 | 0 | 0 | 114.1 | L498 L501 N505 C506 Y538 I542 | L498-C503 CarbonylContact O-C 3.43Å; L498-C503 PolarHBondContact O-N 3.09Å; L498-C503 PolarHBondContact O-SG 3.39Å; L498-C503 VanDerWaalsContact O-SG 3.38Å; L501-C503 VanDerWaalsContact C-N 3.27Å; L501-C503 PolarHBondContact O-N 3.43Å; C503-N505 PolarHBondContact O-N 2.68Å; C503-N505 VanDerWaalsContact O-N 3.13Å; C503-C506 WeakPolarHBondContact O-CB 3.49Å; C503-C506 PolarHBondContact O-N 3.43Å; C503-Y538 HydrophobicContact CB-CD1 3.69Å; C503-Y538 HydrophobicContact CB-CD2 4.34Å; C503-Y538 HydrophobicContact CB-CE1 4.03Å; C503-Y538 HydrophobicContact CB-CG 3.87Å; C503-I542 HydrophobicContact CB-CD1 4.48Å | ||
| 504 | P | 83.1 | Confident | 83.4 | Confident | 54 Ų | 54 | 49.7 Ų | 49.7 | 35% | 0.351 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -59.5 | -29.3 | -177.5 | 27.2 | -36 | 0 | 0 | 0 | 113.2 | C506 I507 | P504-C506 PolarHBondContact O-N 2.67Å; P504-I507 HydrophobicContact CB-CD1 4.23Å; P504-I507 WeakPolarHBondContact O-CB 3.35Å; P504-I507 VanDerWaalsContact O-CD1 3.29Å; P504-I507 WeakPolarHBondContact O-CD1 3.4Å; P504-I507 WeakPolarHBondContact O-CG1 3.35Å; P504-I507 PolarHBondContact O-N 3.28Å |
| 505 | N | 83.9 | Confident | 83.2 | Confident | 130 Ų | 130 | 51.2 Ų | 51.2 | 70% | 0.695 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -61.7 | -15.3 | 176 | -58.7 | -3.4 | 0 | 0 | 0 | 113.2 | C503 | C503-N505 PolarHBondContact O-N 2.68Å; C503-N505 VanDerWaalsContact O-N 3.13Å |
| 506 | C | 83.4 | Confident | 82.9 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.007 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -82.8 | -8.8 | 175.3 | -59.5 | 0 | 0 | 0 | 0 | 113.3 | C503 P504 E508 C509 F510 Y538 I542 | C503-C506 WeakPolarHBondContact O-CB 3.49Å; C503-C506 PolarHBondContact O-N 3.43Å; P504-C506 PolarHBondContact O-N 2.67Å; C506-E508 PolarHBondContact O-N 3.01Å; C506-C509 WeakPolarHBondContact O-CB 3.49Å; C506-C509 PolarHBondContact O-N 3.39Å; C506-F510 HydrophobicContact CB-CE2 4.13Å; C506-F510 WeakPolarHBondContact O-CD2 3.38Å; C506-Y538 VanDerWaalsContact SG-CD2 3.52Å; C506-I542 HydrophobicContact CB-CD1 4.13Å |
| 507 | I | 84.8 | Confident | 82.7 | Confident | 30 Ų | 30 | 48.7 Ų | 48.7 | 15% | 0.154 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.5 | -39.9 | -178.5 | -68.6 | 162.6 | 0 | 0 | 0 | 111.2 | A490 V495 L498 P504 C509 F510 T511 | A490-I507 HydrophobicContact CB-CG2 3.95Å; V495-I507 HydrophobicContact CB-CD1 4.31Å; V495-I507 HydrophobicContact CG1-CD1 4.01Å; V495-I507 HydrophobicContact CG2-CD1 4.26Å; L498-I507 HydrophobicContact CB-CG1 4.06Å; L498-I507 HydrophobicContact CD1-CB 4.42Å; L498-I507 HydrophobicContact CD1-CG1 3.69Å; P504-I507 HydrophobicContact CB-CD1 4.23Å; P504-I507 WeakPolarHBondContact O-CB 3.35Å; P504-I507 VanDerWaalsContact O-CD1 3.29Å; P504-I507 WeakPolarHBondContact O-CD1 3.4Å; P504-I507 WeakPolarHBondContact O-CG1 3.35Å; P504-I507 PolarHBondContact O-N 3.28Å; I507-C509 VanDerWaalsContact C-N 3.31Å; I507-C509 PolarHBondContact O-N 3.18Å; I507-F510 PolarHBondContact O-N 3.41Å; I507-T511 HydrophobicContact CG2-CG2 4.21Å; I507-T511 PolarHBondContact O-N 3.25Å; I507-T511 PolarHBondContact O-OG1 2.97Å |
| 508 | E | 81.3 | Confident | 82.2 | Confident | 152 Ų | 152 | 48.2 Ų | 48.2 | 71% | 0.71 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.9 | -30.1 | 178 | -62.7 | -174.1 | 172.9 | 0 | 0 | 113.2 | C506 F510 T511 S512 | C506-E508 PolarHBondContact O-N 3.01Å; E508-F510 VanDerWaalsContact C-N 3.27Å; E508-F510 PolarHBondContact O-N 3.02Å; E508-T511 WeakPolarHBondContact CA-OG1 3.14Å; E508-S512 WeakPolarHBondContact O-CB 3.39Å; E508-S512 PolarHBondContact O-N 3.41Å; E508-S512 PolarHBondContact O-OG 3.32Å |
| 509 | C | 84.1 | Confident | 81.7 | Confident | 22 Ų | 22 | 55.2 Ų | 55.2 | 15% | 0.149 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.7 | -34 | 174.2 | -57.2 | 0 | 0 | 0 | 0 | 112 | C506 I507 S512 L532 V534 | C506-C509 WeakPolarHBondContact O-CB 3.49Å; C506-C509 PolarHBondContact O-N 3.39Å; I507-C509 VanDerWaalsContact C-N 3.31Å; I507-C509 PolarHBondContact O-N 3.18Å; C509-S512 PolarHBondContact O-OG 3.12Å; C509-L532 WeakPolarHBondContact CB-O 3.29Å; C509-V534 HydrophobicContact CB-CG2 3.99Å |
| 510 | F | 83.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -85.3 | -47.1 | 178.4 | -63.1 | -78 | 0 | 0 | 0 | 111.9 | L494 L498 C506 I507 E508 S512 Q513 G514 L515 L521 L524 L529 L532 V534 I542 | L494-F510 HydrophobicContact CD2-CB 4.31Å; L498-F510 HydrophobicContact CD1-CD2 3.53Å; L498-F510 HydrophobicContact CD1-CE2 3.75Å; L498-F510 HydrophobicContact CD2-CE2 3.94Å; C506-F510 HydrophobicContact CB-CE2 4.13Å; C506-F510 WeakPolarHBondContact O-CD2 3.38Å; I507-F510 PolarHBondContact O-N 3.41Å; E508-F510 VanDerWaalsContact C-N 3.27Å; E508-F510 PolarHBondContact O-N 3.02Å; F510-S512 VanDerWaalsContact C-N 3.35Å; F510-S512 PolarHBondContact O-N 3.07Å; F510-Q513 PolarHBondContact O-N 2.95Å; F510-G514 PolarHBondContact O-N 3Å; F510-L515 HydrophobicContact CB-CB 4.07Å; F510-L515 HydrophobicContact CD1-CB 4.47Å; F510-L515 HydrophobicContact CD1-CD1 4.04Å; F510-L515 WeakPolarHBondContact O-CB 3.32Å; F510-L515 PolarHBondContact O-N 3.44Å; F510-L521 HydrophobicContact CD1-CD1 4.33Å; F510-L521 HydrophobicContact CD1-CD2 3.7Å; F510-L521 HydrophobicContact CD1-CG 3.92Å; F510-L521 HydrophobicContact CE1-CD2 3.58Å; F510-L521 HydrophobicContact CE1-CG 4.02Å; F510-L521 HydrophobicContact CE2-CD2 4.45Å; F510-L521 HydrophobicContact CG-CD2 4.21Å; F510-L521 HydrophobicContact CZ-CD2 4Å; F510-L524 HydrophobicContact CD1-CD1 4.37Å; F510-L524 HydrophobicContact CE1-CD1 3.9Å; F510-L529 HydrophobicContact CE1-CD2 3.82Å; F510-L529 HydrophobicContact CZ-CD2 3.7Å; F510-L532 HydrophobicContact CD1-CD1 3.64Å; F510-L532 HydrophobicContact CE1-CD1 3.45Å; F510-L532 VanDerWaalsContact CE1-CD1 3.45Å; F510-L532 HydrophobicContact CZ-CD1 4.46Å; F510-V534 HydrophobicContact CE2-CG2 4.23Å; F510-V534 HydrophobicContact CZ-CG2 3.93Å; F510-I542 HydrophobicContact CE2-CD1 4.42Å; F510-I542 HydrophobicContact CZ-CD1 4.47Å; F510-I542 HydrophobicContact CZ-CG2 4.12Å |
| 511 | T | 82.2 | Confident | 80.6 | Confident | 21 Ų | 21 | 53.4 Ų | 53.4 | 13% | 0.129 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.4 | -32.8 | -177.8 | 55.8 | 0 | 0 | 0 | 0 | 113.3 | A490 I507 E508 Q513 G514 | A490-T511 HydrophobicContact CB-CG2 3.7Å; I507-T511 HydrophobicContact CG2-CG2 4.21Å; I507-T511 PolarHBondContact O-N 3.25Å; I507-T511 PolarHBondContact O-OG1 2.97Å; E508-T511 WeakPolarHBondContact CA-OG1 3.14Å; T511-Q513 PolarHBondContact O-N 3.01Å; T511-G514 PolarHBondContact O-N 3.11Å |
| 512 | S | 79 | Confident | 79.8 | Confident | 94 Ų | 94 | 53.7 Ų | 53.7 | 66% | 0.657 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -18 | 175.6 | 58.6 | 0 | 0 | 0 | 0 | 114.1 | E508 C509 F510 | E508-S512 WeakPolarHBondContact O-CB 3.39Å; E508-S512 PolarHBondContact O-N 3.41Å; E508-S512 PolarHBondContact O-OG 3.32Å; C509-S512 PolarHBondContact O-OG 3.12Å; F510-S512 VanDerWaalsContact C-N 3.35Å; F510-S512 PolarHBondContact O-N 3.07Å |
| 513 | Q | 75 | Confident | 79.2 | Confident | 106 Ų | 106 | 57.9 Ų | 57.9 | 50% | 0.495 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 19.4 | 171.6 | -53.5 | -157.1 | 29.2 | 0 | 0 | 112.5 | F510 T511 L515 A531 L532 | F510-Q513 PolarHBondContact O-N 2.95Å; T511-Q513 PolarHBondContact O-N 3.01Å; Q513-L515 PolarHBondContact O-N 3.25Å; Q513-A531 PolarHBondContact NE2-O 2.68Å; Q513-L532 HydrophobicContact CB-CD2 3.97Å; Q513-L532 VanDerWaalsContact CD-CD2 3.41Å; Q513-L532 HydrophobicContact CG-CD2 3.94Å |
| 514 | G | 73.4 | Confident | 78.9 | Confident | 26 Ų | 26 | 59.3 Ų | 59.3 | 27% | 0.268 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 1.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | F510 T511 Q516 | F510-G514 PolarHBondContact O-N 3Å; T511-G514 PolarHBondContact O-N 3.11Å; G514-Q516 PolarHBondContact O-N 3.47Å; G514-Q516 PolarHBondContact O-NE2 3.29Å |
| 515 | L | 81.1 | Confident | 78.7 | Confident | 31 Ų | 31 | 59.5 Ų | 59.5 | 16% | 0.162 | 31% | 0.311 | C | S | . | . | trans | -75.6 | 72.1 | 179.8 | -57.7 | 174.9 | 0 | 0 | 0 | 110.4 | L494 F510 Q513 H520 L521 L524 L532 | L494-L515 WeakPolarHBondContact CD2-O 3.2Å; F510-L515 HydrophobicContact CB-CB 4.07Å; F510-L515 HydrophobicContact CD1-CB 4.47Å; F510-L515 HydrophobicContact CD1-CD1 4.04Å; F510-L515 WeakPolarHBondContact O-CB 3.32Å; F510-L515 PolarHBondContact O-N 3.44Å; Q513-L515 PolarHBondContact O-N 3.25Å; L515-H520 HydrophobicContact CD2-CB 3.83Å; L515-L521 HydrophobicContact CB-CD1 4.31Å; L515-L524 HydrophobicContact CD1-CD1 4.25Å; L515-L524 HydrophobicContact CD1-CD2 4.39Å; L515-L532 HydrophobicContact CD1-CD1 3.64Å; L515-L532 HydrophobicContact CD1-CD2 3.69Å; L515-L532 HydrophobicContact CD1-CG 4.32Å | ||
| 516 | Q | 78.9 | Confident | 78.5 | Confident | 60 Ų | 60 | 55.9 Ų | 55.9 | 28% | 0.28 | 29% | 0.292 | S | S | . | . | trans | -85.2 | -17.7 | -168.4 | -74.5 | 156.4 | 91.8 | 0 | 0 | 115 | D491 G514 | D491-Q516 WeakPolarHBondContact CB-O 3.49Å; D491-Q516 PolarHBondContact N-O 3.27Å; G514-Q516 PolarHBondContact O-N 3.47Å; G514-Q516 PolarHBondContact O-NE2 3.29Å | ||
| 517 | S | 80.1 | Confident | 78.3 | Confident | 23 Ų | 23 | 62.4 Ų | 62.4 | 16% | 0.161 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -134.3 | 151.7 | -176.8 | -176 | 0 | 0 | 0 | 0 | 112.1 | D491 Y519 H520 L521 | D491-S517 WeakPolarHBondContact OD2-CB 3.48Å; D491-S517 PolarHBondContact OD2-OG 2.99Å; S517-Y519 PolarHBondContact O-N 3Å; S517-Y519 VanDerWaalsContact O-N 3.11Å; S517-H520 WeakPolarHBondContact O-CB 3.31Å; S517-H520 PolarHBondContact O-N 3.3Å; S517-L521 WeakPolarHBondContact O-CD1 3.37Å |
| 518 | I | 77.6 | Confident | 78.2 | Confident | 21 Ų | 21 | 64 Ų | 64 | 11% | 0.108 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -56.8 | -30.5 | -171.4 | -158.8 | 172.1 | 0 | 0 | 0 | 113.7 | F497 H520 L521 L549 | F497-I518 HydrophobicContact CB-CD1 3.78Å; F497-I518 HydrophobicContact CD1-CD1 4.3Å; F497-I518 HydrophobicContact CD1-CG1 4.46Å; F497-I518 HydrophobicContact CD2-CD1 3.85Å; F497-I518 HydrophobicContact CE2-CD1 4.49Å; F497-I518 HydrophobicContact CG-CD1 3.73Å; F497-I518 HydrophobicContact CG-CG1 4.37Å; I518-H520 VanDerWaalsContact C-N 3.26Å; I518-H520 PolarHBondContact O-N 3.06Å; I518-L521 PolarHBondContact O-N 3.23Å; I518-L521 VanDerWaalsContact O-N 3.07Å; I518-L549 HydrophobicContact CD1-CD1 4.42Å; I518-L549 HydrophobicContact CD1-CD2 3.54Å; I518-L549 HydrophobicContact CG1-CD2 3.69Å |
| 519 | Y | 77 | Confident | 78.2 | Confident | 146 Ų | 146 | 56.7 Ų | 56.7 | 57% | 0.573 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -63 | -29.1 | 176.8 | -62.2 | -74.8 | 0 | 0 | 0 | 113.4 | S517 L521 | S517-Y519 PolarHBondContact O-N 3Å; S517-Y519 VanDerWaalsContact O-N 3.11Å; Y519-L521 PolarHBondContact O-N 3.31Å |
| 520 | H | 72.7 | Confident | 78 | Confident | 108 Ų | 108 | 57 Ų | 57 | 50% | 0.5 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -73.6 | -17.7 | 176.8 | -59.1 | 176.7 | 0 | 0 | 0 | 112.3 | L515 S517 I518 | L515-H520 HydrophobicContact CD2-CB 3.83Å; S517-H520 WeakPolarHBondContact O-CB 3.31Å; S517-H520 PolarHBondContact O-N 3.3Å; I518-H520 VanDerWaalsContact C-N 3.26Å; I518-H520 PolarHBondContact O-N 3.06Å |
| 521 | L | 75.1 | Confident | 77.9 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -16.5 | -179.5 | -71.8 | 73.1 | 0 | 0 | 0 | 113.2 | L494 F510 L515 S517 I518 Y519 N523 L524 L546 | L494-L521 HydrophobicContact CD1-CD1 3.82Å; L494-L521 HydrophobicContact CD1-CD2 3.62Å; L494-L521 HydrophobicContact CD1-CG 4.41Å; F510-L521 HydrophobicContact CD1-CD1 4.33Å; F510-L521 HydrophobicContact CD1-CD2 3.7Å; F510-L521 HydrophobicContact CD1-CG 3.92Å; F510-L521 HydrophobicContact CE1-CD2 3.58Å; F510-L521 HydrophobicContact CE1-CG 4.02Å; F510-L521 HydrophobicContact CE2-CD2 4.45Å; F510-L521 HydrophobicContact CG-CD2 4.21Å; F510-L521 HydrophobicContact CZ-CD2 4Å; L515-L521 HydrophobicContact CB-CD1 4.31Å; S517-L521 WeakPolarHBondContact O-CD1 3.37Å; I518-L521 PolarHBondContact O-N 3.23Å; I518-L521 VanDerWaalsContact O-N 3.07Å; Y519-L521 PolarHBondContact O-N 3.31Å; L521-N523 PolarHBondContact O-N 2.84Å; L521-L524 HydrophobicContact CB-CD1 3.94Å; L521-L524 HydrophobicContact CG-CD1 3.81Å; L521-L524 PolarHBondContact O-N 3.48Å; L521-L524 VanDerWaalsContact O-N 3.11Å; L521-L546 HydrophobicContact CB-CD1 4.13Å; L521-L546 HydrophobicContact CB-CD2 3.55Å; L521-L546 HydrophobicContact CD2-CD2 4.32Å |
| 522 | Q | 69.4 | Low | 77.8 | Confident | 54 Ų | 54 | 59.7 Ų | 59.7 | 25% | 0.252 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -14.7 | -172.6 | -69.7 | 179.4 | -14 | 0 | 0 | 115.2 | L549 | Q522-L549 HydrophobicContact CG-CD2 4.31Š|
| 523 | N | 71.1 | Confident | 77.9 | Confident | 136 Ų | 136 | 63.6 Ų | 63.6 | 73% | 0.727 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.2 | 5.9 | 179.2 | -67.7 | -33.9 | 0 | 0 | 0 | 113.5 | L521 | L521-N523 PolarHBondContact O-N 2.84Š|
| 524 | L | 79.4 | Confident | 78.4 | Confident | 31 Ų | 31 | 58.6 Ų | 58.6 | 16% | 0.162 | 31% | 0.309 | C | S | . | . | trans | -72.6 | 132 | 178.7 | -65 | 173.1 | 0 | 0 | 0 | 111.4 | F510 L515 L521 D528 L529 L532 | F510-L524 HydrophobicContact CD1-CD1 4.37Å; F510-L524 HydrophobicContact CE1-CD1 3.9Å; L515-L524 HydrophobicContact CD1-CD1 4.25Å; L515-L524 HydrophobicContact CD1-CD2 4.39Å; L521-L524 HydrophobicContact CB-CD1 3.94Å; L521-L524 HydrophobicContact CG-CD1 3.81Å; L521-L524 PolarHBondContact O-N 3.48Å; L521-L524 VanDerWaalsContact O-N 3.11Å; L524-D528 HydrophobicContact CB-CB 4.28Å; L524-D528 HydrophobicContact CD2-CB 3.87Å; L524-L529 HydrophobicContact CD1-CD2 4.41Å; L524-L532 HydrophobicContact CD1-CD1 3.75Å; L524-L532 HydrophobicContact CD2-CD1 4.36Å | ||
| 525 | T | 78.9 | Confident | 79.1 | Confident | 57 Ų | 57 | 59.9 Ų | 59.9 | 35% | 0.35 | 31% | 0.312 | S | S | . | . | trans | -79.4 | 173.9 | 169.8 | 66.1 | 0 | 0 | 0 | 0 | 111.3 | E527 D528 L529 | T525-E527 VanDerWaalsContact C-N 3.28Å; T525-E527 VanDerWaalsContact CB-OE2 3.29Å; T525-E527 WeakPolarHBondContact CB-OE2 3.34Å; T525-E527 PolarHBondContact OG1-OE2 3.45Å; T525-D528 WeakPolarHBondContact CB-OD2 3.29Å; T525-D528 PolarHBondContact N-OD2 3.03Å; T525-D528 PolarHBondContact O-N 3.26Å; T525-D528 PolarHBondContact OG1-N 3.19Å; T525-D528 PolarHBondContact OG1-OD2 2.98Å; T525-L529 PolarHBondContact O-N 2.62Å | ||
| 526 | I | 79.8 | Confident | 79.1 | Confident | 55 Ų | 55 | 64 Ų | 64 | 28% | 0.282 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -73.3 | -28.3 | 174.7 | -174.5 | 170.8 | 0 | 0 | 0 | 111.1 | L529 G530 M540 W543 | I526-L529 PolarHBondContact O-N 2.82Å; I526-G530 PolarHBondContact O-N 2.95Å; I526-M540 HydrophobicContact CD1-SD 3.39Å; I526-M540 WeakPolarHBondContact CD1-SD 3.32Å; I526-W543 HydrophobicContact CB-CG 4.33Å |
| 527 | E | 80.3 | Confident | 79.3 | Confident | 137 Ų | 137 | 67.9 Ų | 67.9 | 64% | 0.64 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -64.7 | -44.9 | 171.5 | -62.7 | 71.1 | -161 | 0 | 0 | 111 | T525 L529 G530 A531 | T525-E527 VanDerWaalsContact C-N 3.28Å; T525-E527 VanDerWaalsContact CB-OE2 3.29Å; T525-E527 WeakPolarHBondContact CB-OE2 3.34Å; T525-E527 PolarHBondContact OG1-OE2 3.45Å; E527-L529 VanDerWaalsContact C-N 3.35Å; E527-L529 PolarHBondContact O-N 3.4Å; E527-G530 VanDerWaalsContact O-CA 3.32Å; E527-G530 WeakPolarHBondContact O-CA 3.36Å; E527-G530 PolarHBondContact O-N 3.47Å; E527-A531 PolarHBondContact O-N 3.13Å |
| 528 | D | 82.3 | Confident | 79.6 | Confident | 63 Ų | 63 | 69.6 Ų | 69.6 | 34% | 0.337 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 175.3 | -63.4 | -49.4 | 0 | 0 | 0 | 111.6 | L524 T525 G530 A531 L532 | L524-D528 HydrophobicContact CB-CB 4.28Å; L524-D528 HydrophobicContact CD2-CB 3.87Å; T525-D528 WeakPolarHBondContact CB-OD2 3.29Å; T525-D528 PolarHBondContact N-OD2 3.03Å; T525-D528 PolarHBondContact O-N 3.26Å; T525-D528 PolarHBondContact OG1-N 3.19Å; T525-D528 PolarHBondContact OG1-OD2 2.98Å; D528-G530 PolarHBondContact O-N 3.48Å; D528-A531 CarbonylContact O-C 3.56Å; D528-A531 WeakPolarHBondContact O-CA 3.13Å; D528-A531 WeakPolarHBondContact O-CB 3.36Å; D528-A531 PolarHBondContact O-N 3.05Å; D528-L532 VanDerWaalsContact O-CG 3.31Å; D528-L532 WeakPolarHBondContact O-CG 3.17Å; D528-L532 PolarHBondContact O-N 2.99Å |
| 529 | L | 81.9 | Confident | 80 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.6 | -26.2 | 173.8 | -69.8 | 167.1 | 0 | 0 | 0 | 112.3 | F510 L524 T525 I526 E527 L532 V534 R539 I542 W543 | F510-L529 HydrophobicContact CE1-CD2 3.82Å; F510-L529 HydrophobicContact CZ-CD2 3.7Å; L524-L529 HydrophobicContact CD1-CD2 4.41Å; T525-L529 PolarHBondContact O-N 2.62Å; I526-L529 PolarHBondContact O-N 2.82Å; E527-L529 VanDerWaalsContact C-N 3.35Å; E527-L529 PolarHBondContact O-N 3.4Å; L529-L532 HydrophobicContact CD2-CD1 4.4Å; L529-V534 HydrophobicContact CD2-CG2 4.18Å; L529-V534 WeakPolarHBondContact O-CB 3.22Å; L529-V534 PolarHBondContact O-N 3.4Å; L529-R539 HydrophobicContact CB-CB 4.48Å; L529-R539 HydrophobicContact CB-CG 4.17Å; L529-R539 PolarHBondContact O-NE 3.05Å; L529-I542 HydrophobicContact CD1-CG2 4.32Å; L529-I542 HydrophobicContact CD2-CG2 3.9Å; L529-W543 HydrophobicContact CD1-CB 3.75Å; L529-W543 HydrophobicContact CD1-CG 4.44Å |
| 530 | G | 79.1 | Confident | 80.3 | Confident | 29 Ų | 29 | 69 Ų | 69 | 30% | 0.299 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.9 | -50.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I526 E527 D528 L532 K533 | I526-G530 PolarHBondContact O-N 2.95Å; E527-G530 VanDerWaalsContact O-CA 3.32Å; E527-G530 WeakPolarHBondContact O-CA 3.36Å; E527-G530 PolarHBondContact O-N 3.47Å; D528-G530 PolarHBondContact O-N 3.48Å; G530-L532 PolarHBondContact O-N 3Å; G530-K533 PolarHBondContact O-N 3.11Å |
| 531 | A | 80.6 | Confident | 81 | Confident | 69 Ų | 69 | 67 Ų | 67 | 57% | 0.57 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.8 | -29 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q513 E527 D528 K533 | Q513-A531 PolarHBondContact NE2-O 2.68Å; E527-A531 PolarHBondContact O-N 3.13Å; D528-A531 CarbonylContact O-C 3.56Å; D528-A531 WeakPolarHBondContact O-CA 3.13Å; D528-A531 WeakPolarHBondContact O-CB 3.36Å; D528-A531 PolarHBondContact O-N 3.05Å; A531-K533 PolarHBondContact O-N 3.49Å |
| 532 | L | 81.3 | Confident | 81.6 | Confident | 8 Ų | 8 | 67 Ų | 67 | 4% | 0.042 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 0.3 | 172.9 | -67 | -179.1 | 0 | 0 | 0 | 114.3 | C509 F510 Q513 L515 L524 D528 L529 G530 V534 | C509-L532 WeakPolarHBondContact CB-O 3.29Å; F510-L532 HydrophobicContact CD1-CD1 3.64Å; F510-L532 HydrophobicContact CE1-CD1 3.45Å; F510-L532 VanDerWaalsContact CE1-CD1 3.45Å; F510-L532 HydrophobicContact CZ-CD1 4.46Å; Q513-L532 HydrophobicContact CB-CD2 3.97Å; Q513-L532 VanDerWaalsContact CD-CD2 3.41Å; Q513-L532 HydrophobicContact CG-CD2 3.94Å; L515-L532 HydrophobicContact CD1-CD1 3.64Å; L515-L532 HydrophobicContact CD1-CD2 3.69Å; L515-L532 HydrophobicContact CD1-CG 4.32Å; L524-L532 HydrophobicContact CD1-CD1 3.75Å; L524-L532 HydrophobicContact CD2-CD1 4.36Å; D528-L532 VanDerWaalsContact O-CG 3.31Å; D528-L532 WeakPolarHBondContact O-CG 3.17Å; D528-L532 PolarHBondContact O-N 2.99Å; L529-L532 HydrophobicContact CD2-CD1 4.4Å; G530-L532 PolarHBondContact O-N 3Å; L532-V534 HydrophobicContact CB-CG2 4.03Å; L532-V534 PolarHBondContact O-N 3.02Å |
| 533 | K | 81.5 | Confident | 82.4 | Confident | 176 Ų | 176 | 68.1 Ų | 68.1 | 77% | 0.765 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 23.5 | -175.2 | -57.1 | -178.7 | 178.4 | 176.7 | 0 | 114.3 | G530 A531 | G530-K533 PolarHBondContact O-N 3.11Å; A531-K533 PolarHBondContact O-N 3.49Å |
| 534 | V | 85.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 35% | 0.35 | C | S | . | . | trans | -63.1 | 132.5 | 173.1 | 177.6 | 0 | 0 | 0 | 0 | 108.4 | C509 F510 L529 L532 D536 R539 I542 | C509-V534 HydrophobicContact CB-CG2 3.99Å; F510-V534 HydrophobicContact CE2-CG2 4.23Å; F510-V534 HydrophobicContact CZ-CG2 3.93Å; L529-V534 HydrophobicContact CD2-CG2 4.18Å; L529-V534 WeakPolarHBondContact O-CB 3.22Å; L529-V534 PolarHBondContact O-N 3.4Å; L532-V534 HydrophobicContact CB-CG2 4.03Å; L532-V534 PolarHBondContact O-N 3.02Å; V534-D536 PolarHBondContact O-N 3.38Å; V534-R539 HydrophobicContact CB-CG 4.06Å; V534-R539 HydrophobicContact CG1-CG 3.91Å; V534-R539 VanDerWaalsContact O-CZ 3.25Å; V534-R539 PolarHBondContact O-NE 3.44Å; V534-R539 PolarHBondContact O-NH2 3.44Å; V534-I542 HydrophobicContact CG1-CD1 3.73Å | ||
| 535 | P | 86.6 | Confident | 83.4 | Confident | 54 Ų | 54 | 68.4 Ų | 68.4 | 35% | 0.351 | 35% | 0.346 | S | S | . | . | trans | -58.7 | 137.7 | 177.3 | -25.5 | 34.7 | 0 | 0 | 0 | 112.2 | Q537 Y538 R539 | P535-Q537 HydrophobicContact CB-CG 4.19Å; P535-Q537 PolarHBondContact O-N 2.86Å; P535-Q537 VanDerWaalsContact O-N 3.1Å; P535-Y538 HydrophobicContact CB-CD2 4.01Å; P535-Y538 HydrophobicContact CG-CD2 4.13Å; P535-Y538 PolarHBondContact O-N 2.93Å; P535-R539 PolarHBondContact O-N 3.25Å | ||
| 536 | D | 81.4 | Confident | 83.7 | Confident | 116 Ų | 116 | 66.1 Ų | 66.1 | 62% | 0.62 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -51.6 | -40 | -173.9 | -61.9 | -101.2 | 0 | 0 | 0 | 113 | V534 Y538 R539 | V534-D536 PolarHBondContact O-N 3.38Å; D536-Y538 PolarHBondContact O-N 2.97Å; D536-Y538 VanDerWaalsContact O-N 3.11Å; D536-R539 PolarHBondContact O-N 3.32Å; D536-R539 IonicContact OD1-CZ 3.24Å; D536-R539 VanDerWaalsContact OD1-CZ 3.24Å; D536-R539 IonicContact OD1-NH1 2.67Å; D536-R539 PolarHBondContact OD1-NH1 3.41Å; D536-R539 IonicContact OD1-NH2 3.21Å; D536-R539 PolarHBondContact OD1-NH2 3.07Å; D536-R539 IonicContact OD2-CZ 3.61Å; D536-R539 IonicContact OD2-NH1 3.8Å; D536-R539 IonicContact OD2-NH2 2.82Å; D536-R539 PolarHBondContact OD2-NH2 3.1Å |
| 537 | Q | 84.1 | Confident | 83.8 | Confident | 143 Ų | 143 | 67.2 Ų | 67.2 | 67% | 0.668 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -58.6 | -20.6 | 176.9 | 70.6 | -173.6 | 19.1 | 0 | 0 | 115 | P535 | P535-Q537 HydrophobicContact CB-CG 4.19Å; P535-Q537 PolarHBondContact O-N 2.86Å; P535-Q537 VanDerWaalsContact O-N 3.1Å |
| 538 | Y | 84.9 | Confident | 83.9 | Confident | 58 Ų | 58 | 64.7 Ų | 64.7 | 23% | 0.227 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -107.3 | -18.1 | 179.5 | -61.3 | -54.1 | 0 | 0 | 0 | 113.7 | C503 C506 P535 D536 M540 T541 I542 | C503-Y538 HydrophobicContact CB-CD1 3.69Å; C503-Y538 HydrophobicContact CB-CD2 4.34Å; C503-Y538 HydrophobicContact CB-CE1 4.03Å; C503-Y538 HydrophobicContact CB-CG 3.87Å; C506-Y538 VanDerWaalsContact SG-CD2 3.52Å; P535-Y538 HydrophobicContact CB-CD2 4.01Å; P535-Y538 HydrophobicContact CG-CD2 4.13Å; P535-Y538 PolarHBondContact O-N 2.93Å; D536-Y538 PolarHBondContact O-N 2.97Å; D536-Y538 VanDerWaalsContact O-N 3.11Å; Y538-M540 PolarHBondContact O-N 2.88Å; Y538-T541 PolarHBondContact O-N 3.34Å; Y538-I542 WeakPolarHBondContact O-CG1 3.32Å; Y538-I542 PolarHBondContact O-N 2.83Å |
| 539 | R | 86.8 | Confident | 83.6 | Confident | 51 Ų | 51 | 64 Ų | 64 | 19% | 0.192 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.6 | -47.7 | -174.9 | -66.7 | -167.7 | -160.8 | 121.4 | 25.5 | 112.6 | L529 V534 P535 D536 T541 I542 W543 | L529-R539 HydrophobicContact CB-CB 4.48Å; L529-R539 HydrophobicContact CB-CG 4.17Å; L529-R539 PolarHBondContact O-NE 3.05Å; V534-R539 HydrophobicContact CB-CG 4.06Å; V534-R539 HydrophobicContact CG1-CG 3.91Å; V534-R539 VanDerWaalsContact O-CZ 3.25Å; V534-R539 PolarHBondContact O-NE 3.44Å; V534-R539 PolarHBondContact O-NH2 3.44Å; P535-R539 PolarHBondContact O-N 3.25Å; D536-R539 PolarHBondContact O-N 3.32Å; D536-R539 IonicContact OD1-CZ 3.24Å; D536-R539 VanDerWaalsContact OD1-CZ 3.24Å; D536-R539 IonicContact OD1-NH1 2.67Å; D536-R539 PolarHBondContact OD1-NH1 3.41Å; D536-R539 IonicContact OD1-NH2 3.21Å; D536-R539 PolarHBondContact OD1-NH2 3.07Å; D536-R539 IonicContact OD2-CZ 3.61Å; D536-R539 IonicContact OD2-NH1 3.8Å; D536-R539 IonicContact OD2-NH2 2.82Å; D536-R539 PolarHBondContact OD2-NH2 3.1Å; R539-T541 VanDerWaalsContact C-N 3.34Å; R539-T541 PolarHBondContact O-N 2.83Å; R539-I542 PolarHBondContact O-N 3.49Å; R539-W543 WeakPolarHBondContact O-CB 3.22Å; R539-W543 PolarHBondContact O-N 3.29Å |
| 540 | M | 83.8 | Confident | 83.2 | Confident | 105 Ų | 105 | 68.8 Ų | 68.8 | 52% | 0.517 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.3 | -38.4 | 178.9 | -70.3 | -58 | -60.2 | 0 | 0 | 112.9 | I526 Y538 W543 R544 | I526-M540 HydrophobicContact CD1-SD 3.39Å; I526-M540 WeakPolarHBondContact CD1-SD 3.32Å; Y538-M540 PolarHBondContact O-N 2.88Å; M540-W543 HydrophobicContact CE-CE3 4.43Å; M540-R544 WeakPolarHBondContact O-CB 3.31Å; M540-R544 PolarHBondContact O-N 3.37Å |
| 541 | T | 87.1 | Confident | 82.3 | Confident | 66 Ų | 66 | 72.9 Ų | 72.9 | 41% | 0.405 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -68.3 | -45 | 179.4 | -50.8 | 0 | 0 | 0 | 0 | 111.3 | Y538 R539 G545 | Y538-T541 PolarHBondContact O-N 3.34Å; R539-T541 VanDerWaalsContact C-N 3.34Å; R539-T541 PolarHBondContact O-N 2.83Å; T541-G545 PolarHBondContact O-N 3.17Å |
| 542 | I | 86.6 | Confident | 81.2 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.4 | -46.7 | 176.9 | -67.4 | 163.6 | 0 | 0 | 0 | 110.5 | L498 C503 C506 F510 L529 V534 Y538 R539 R544 G545 L546 | L498-I542 HydrophobicContact CD2-CD1 4.13Å; L498-I542 HydrophobicContact CD2-CG1 4.06Å; L498-I542 HydrophobicContact CD2-CG2 4.45Å; C503-I542 HydrophobicContact CB-CD1 4.48Å; C506-I542 HydrophobicContact CB-CD1 4.13Å; F510-I542 HydrophobicContact CE2-CD1 4.42Å; F510-I542 HydrophobicContact CZ-CD1 4.47Å; F510-I542 HydrophobicContact CZ-CG2 4.12Å; L529-I542 HydrophobicContact CD1-CG2 4.32Å; L529-I542 HydrophobicContact CD2-CG2 3.9Å; V534-I542 HydrophobicContact CG1-CD1 3.73Å; Y538-I542 WeakPolarHBondContact O-CG1 3.32Å; Y538-I542 PolarHBondContact O-N 2.83Å; R539-I542 PolarHBondContact O-N 3.49Å; I542-R544 PolarHBondContact O-N 2.87Å; I542-G545 PolarHBondContact O-N 2.94Å; I542-L546 HydrophobicContact CG2-CD1 3.91Å; I542-L546 HydrophobicContact CG2-CG 4.41Å; I542-L546 VanDerWaalsContact O-CG 3.32Å; I542-L546 WeakPolarHBondContact O-CG 3.2Å; I542-L546 PolarHBondContact O-N 3.38Å |
| 543 | W | 86.3 | Confident | 79.9 | Confident | 77 Ų | 77 | 79.5 Ų | 79.5 | 29% | 0.292 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.9 | -43.2 | 178.4 | -175.5 | 79.3 | 0 | 0 | 0 | 112.4 | I526 L529 R539 M540 L546 Q547 | I526-W543 HydrophobicContact CB-CG 4.33Å; L529-W543 HydrophobicContact CD1-CB 3.75Å; L529-W543 HydrophobicContact CD1-CG 4.44Å; R539-W543 WeakPolarHBondContact O-CB 3.22Å; R539-W543 PolarHBondContact O-N 3.29Å; M540-W543 HydrophobicContact CE-CE3 4.43Å; W543-L546 PolarHBondContact O-N 2.92Å; W543-Q547 HydrophobicContact CD2-CG 4.29Å; W543-Q547 HydrophobicContact CE3-CG 4.43Å; W543-Q547 HydrophobicContact CZ2-CG 4.44Å; W543-Q547 VanDerWaalsContact O-CG 3.25Å; W543-Q547 WeakPolarHBondContact O-CG 3.35Å; W543-Q547 PolarHBondContact O-N 3.38Å |
| 544 | R | 86.3 | Confident | 78 | Confident | 165 Ų | 165 | 77.5 Ų | 77.5 | 62% | 0.623 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.3 | -45.1 | 173.4 | 177.4 | 165.7 | -78.6 | 161 | -4.4 | 111.9 | M540 I542 L546 Q547 D548 | M540-R544 WeakPolarHBondContact O-CB 3.31Å; M540-R544 PolarHBondContact O-N 3.37Å; I542-R544 PolarHBondContact O-N 2.87Å; R544-L546 PolarHBondContact O-N 3.3Å; R544-Q547 WeakPolarHBondContact O-CB 3.44Å; R544-Q547 PolarHBondContact O-N 3.01Å; R544-Q547 VanDerWaalsContact O-N 3.07Å; R544-D548 WeakPolarHBondContact CG-OD2 3.36Å; R544-D548 VanDerWaalsContact O-CG 3.25Å; R544-D548 PolarHBondContact O-N 3.35Å |
| 545 | G | 85.7 | Confident | 75.6 | Confident | 8 Ų | 8 | 82.3 Ų | 82.3 | 8% | 0.082 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -58.8 | -33.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T541 I542 L549 | T541-G545 PolarHBondContact O-N 3.17Å; I542-G545 PolarHBondContact O-N 2.94Å; G545-L549 WeakPolarHBondContact O-CB 3.25Å; G545-L549 PolarHBondContact O-N 3.25Å |
| 546 | L | 84.7 | Confident | 73.1 | Confident | 9 Ų | 9 | 82.9 Ų | 82.9 | 5% | 0.047 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -73.3 | -37.1 | 174.3 | -67.8 | 169 | 0 | 0 | 0 | 112.4 | F497 L521 I542 W543 R544 K550 | F497-L546 HydrophobicContact CE1-CD2 3.69Å; F497-L546 HydrophobicContact CE1-CG 4.13Å; F497-L546 HydrophobicContact CZ-CD2 3.65Å; F497-L546 HydrophobicContact CZ-CG 3.95Å; L521-L546 HydrophobicContact CB-CD1 4.13Å; L521-L546 HydrophobicContact CB-CD2 3.55Å; L521-L546 HydrophobicContact CD2-CD2 4.32Å; I542-L546 HydrophobicContact CG2-CD1 3.91Å; I542-L546 HydrophobicContact CG2-CG 4.41Å; I542-L546 VanDerWaalsContact O-CG 3.32Å; I542-L546 WeakPolarHBondContact O-CG 3.2Å; I542-L546 PolarHBondContact O-N 3.38Å; W543-L546 PolarHBondContact O-N 2.92Å; R544-L546 PolarHBondContact O-N 3.3Å; L546-K550 WeakPolarHBondContact O-CB 3.42Å; L546-K550 PolarHBondContact O-N 3.2Å; L546-K550 VanDerWaalsContact O-N 3.09Å |
| 547 | Q | 83.3 | Confident | 71 | Confident | 77 Ų | 77 | 85.9 Ų | 85.9 | 36% | 0.36 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.3 | -38.8 | 172.3 | -68.6 | -103.6 | 50 | 0 | 0 | 112.4 | W543 R544 K550 Q551 | W543-Q547 HydrophobicContact CD2-CG 4.29Å; W543-Q547 HydrophobicContact CE3-CG 4.43Å; W543-Q547 HydrophobicContact CZ2-CG 4.44Å; W543-Q547 VanDerWaalsContact O-CG 3.25Å; W543-Q547 WeakPolarHBondContact O-CG 3.35Å; W543-Q547 PolarHBondContact O-N 3.38Å; R544-Q547 WeakPolarHBondContact O-CB 3.44Å; R544-Q547 PolarHBondContact O-N 3.01Å; R544-Q547 VanDerWaalsContact O-N 3.07Å; Q547-K550 WeakPolarHBondContact O-CB 3.47Å; Q547-K550 PolarHBondContact O-N 2.98Å; Q547-Q551 WeakPolarHBondContact O-CG 3.47Å; Q547-Q551 PolarHBondContact O-N 2.99Å; Q547-Q551 PolarHBondContact O-NE2 3.07Å; Q547-Q551 VanDerWaalsContact O-NE2 3.1Å |
| 548 | D | 81.8 | Confident | 68.6 | Low | 85 Ų | 85 | 87.2 Ų | 87.2 | 46% | 0.455 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -71.8 | -39.7 | 178.9 | -63.1 | -23.6 | 0 | 0 | 0 | 111 | R544 K550 Q551 S552 | R544-D548 WeakPolarHBondContact CG-OD2 3.36Å; R544-D548 VanDerWaalsContact O-CG 3.25Å; R544-D548 PolarHBondContact O-N 3.35Å; D548-K550 VanDerWaalsContact C-N 3.26Å; D548-K550 PolarHBondContact O-N 3.43Å; D548-Q551 PolarHBondContact O-N 3.38Å; D548-Q551 PolarHBondContact OD1-NE2 2.93Å; D548-S552 WeakPolarHBondContact O-CB 3.44Å; D548-S552 PolarHBondContact O-N 3.19Å |
| 549 | L | 75.8 | Confident | 66.1 | Low | 48 Ų | 48 | 91.5 Ų | 91.5 | 25% | 0.251 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.8 | -37.3 | 171.1 | -177.3 | 69.3 | 0 | 0 | 0 | 112.2 | I518 Q522 G545 | I518-L549 HydrophobicContact CD1-CD1 4.42Å; I518-L549 HydrophobicContact CD1-CD2 3.54Å; I518-L549 HydrophobicContact CG1-CD2 3.69Å; Q522-L549 HydrophobicContact CG-CD2 4.31Å; G545-L549 WeakPolarHBondContact O-CB 3.25Å; G545-L549 PolarHBondContact O-N 3.25Å |
| 550 | K | 73.3 | Confident | 63.6 | Low | 100 Ų | 100 | 97.8 Ų | 97.8 | 44% | 0.435 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.3 | -50.5 | 177.6 | -169.1 | 170.1 | -174.1 | 163.1 | 0 | 111.7 | L546 Q547 D548 S552 H553 D554 | L546-K550 WeakPolarHBondContact O-CB 3.42Å; L546-K550 PolarHBondContact O-N 3.2Å; L546-K550 VanDerWaalsContact O-N 3.09Å; Q547-K550 WeakPolarHBondContact O-CB 3.47Å; Q547-K550 PolarHBondContact O-N 2.98Å; D548-K550 VanDerWaalsContact C-N 3.26Å; D548-K550 PolarHBondContact O-N 3.43Å; K550-S552 VanDerWaalsContact C-N 3.28Å; K550-S552 PolarHBondContact O-N 3.06Å; K550-H553 VanDerWaalsContact O-CB 3.31Å; K550-H553 WeakPolarHBondContact O-CB 3.46Å; K550-H553 PolarHBondContact O-N 2.88Å; K550-D554 PolarHBondContact O-N 3.4Å |
| 551 | Q | 61.3 | Low | 61.2 | Low | 116 Ų | 116 | 103.4 Ų | 103.4 | 54% | 0.542 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.3 | -35.8 | 177.1 | -72.7 | 168.9 | 87.6 | 0 | 0 | 113 | Q547 D548 H553 D554 C555 | Q547-Q551 WeakPolarHBondContact O-CG 3.47Å; Q547-Q551 PolarHBondContact O-N 2.99Å; Q547-Q551 PolarHBondContact O-NE2 3.07Å; Q547-Q551 VanDerWaalsContact O-NE2 3.1Å; D548-Q551 PolarHBondContact O-N 3.38Å; D548-Q551 PolarHBondContact OD1-NE2 2.93Å; Q551-H553 PolarHBondContact O-N 3.06Å; Q551-D554 PolarHBondContact O-N 3.36Å; Q551-C555 WeakPolarHBondContact O-CB 3.45Å; Q551-C555 PolarHBondContact O-N 3Å; Q551-C555 VanDerWaalsContact O-N 3.08Å |
| 552 | S | 56.7 | Low | 58.4 | Low | 86 Ų | 86 | 105.8 Ų | 105.8 | 60% | 0.601 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.9 | -28.5 | 174 | -171.7 | 0 | 0 | 0 | 0 | 112.7 | D548 K550 | D548-S552 WeakPolarHBondContact O-CB 3.44Å; D548-S552 PolarHBondContact O-N 3.19Å; K550-S552 VanDerWaalsContact C-N 3.28Å; K550-S552 PolarHBondContact O-N 3.06Å |
| 553 | H | 54.4 | Low | 55.6 | Low | 130 Ų | 130 | 111.1 Ų | 111.1 | 60% | 0.602 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -81.2 | -31.7 | -179.5 | -131.6 | -68.6 | 0 | 0 | 0 | 113.5 | K550 Q551 | K550-H553 VanDerWaalsContact O-CB 3.31Å; K550-H553 WeakPolarHBondContact O-CB 3.46Å; K550-H553 PolarHBondContact O-N 2.88Å; Q551-H553 PolarHBondContact O-N 3.06Å |
| 554 | D | 41.7 | Very low | 53 | Low | 133 Ų | 133 | 112.7 Ų | 112.7 | 71% | 0.711 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -77.8 | -38.4 | 174.9 | -75.4 | -57.5 | 0 | 0 | 0 | 112.4 | K550 Q551 G556 | K550-D554 PolarHBondContact O-N 3.4Å; Q551-D554 PolarHBondContact O-N 3.36Å; D554-G556 PolarHBondContact O-N 3.09Å |
| 555 | C | 35 | Very low | 50.4 | Low | 102 Ų | 102 | 112 Ų | 112 | 69% | 0.689 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -72.7 | -13.3 | -178.1 | -157.5 | 0 | 0 | 0 | 0 | 113.6 | Q551 Q557 | Q551-C555 WeakPolarHBondContact O-CB 3.45Å; Q551-C555 PolarHBondContact O-N 3Å; Q551-C555 VanDerWaalsContact O-N 3.08Å; C555-Q557 PolarHBondContact O-N 3.36Å |
| 556 | G | 33.7 | Very low | 47.6 | Very low | 65 Ų | 65 | 116.4 Ų | 116.4 | 67% | 0.67 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -70.2 | 1.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | D554 | D554-G556 PolarHBondContact O-N 3.09Š|
| 557 | Q | 37.2 | Very low | 45 | Very low | 179 Ų | 179 | 121 Ų | 121 | 84% | 0.836 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -113.2 | 14.9 | -174.9 | -68.9 | -158.6 | 56.7 | 0 | 0 | 116.1 | C555 | C555-Q557 PolarHBondContact O-N 3.36Š|
| 558 | Q | 35.5 | Very low | 42.7 | Very low | 172 Ų | 172 | 123.9 Ų | 123.9 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -153.2 | 156.8 | 163.9 | -114.8 | 157 | 58.3 | 0 | 0 | 113.6 | ||
| 559 | L | 30.9 | Very low | 40.3 | Very low | 147 Ų | 147 | 128.4 Ų | 128.4 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | trans | 62.7 | 84.1 | 170.7 | -63.2 | 166.7 | 0 | 0 | 0 | 118.2 | ||||
| 560 | L | 34.1 | Very low | 38.2 | Very low | 183 Ų | 183 | 131.6 Ų | 131.6 | 96% | 0.958 | 76% | 0.757 | S | S | * | * | trans | -105.8 | 74.3 | 140 | -88.5 | 92.4 | 0 | 0 | 0 | 110.7 | ||||
| 561 | R | 33.3 | Very low | 36.4 | Very low | 223 Ų | 223 | 135.1 Ų | 135.1 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | trans | -145.7 | 152.2 | 159.1 | -80.1 | -166.8 | 169 | 162.6 | -3.1 | 109.4 | ||||
| 562 | S | 28.5 | Very low | 34.8 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 76.6 | 89.5 | 175.4 | -55.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 563 | S | 28.1 | Very low | 33.5 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | -10.8 | 145 | 142.6 | -33.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 564 | S | 33 | Very low | 32.5 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | -169.4 | 123.4 | 118.8 | -83 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 565 | N | 30 | Very low | 32 | Very low | 149 Ų | 149 | 130.8 Ų | 130.8 | 80% | 0.797 | 83% | 0.825 | S | S | * | * | trans | 43.2 | 109.8 | 133.5 | -55.8 | -5.4 | 0 | 0 | 0 | 122.2 | ||||
| 566 | A | 28.5 | Very low | 31.8 | Very low | 102 Ų | 102 | 134 Ų | 134 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | 60.2 | 115.1 | 123 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 567 | A | 30.1 | Very low | 31.8 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 87% | 0.868 | 84% | 0.839 | S | S | * | * | trans | -141.8 | 134.1 | 135.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 568 | T | 34.3 | Very low | 31.5 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 84% | 0.84 | 84% | 0.835 | S | S | * | * | trans | -109.4 | 124.8 | -179.4 | 49.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 569 | I | 32 | Very low | 31.4 | Very low | 180 Ų | 180 | 141.2 Ų | 141.2 | 92% | 0.923 | 84% | 0.84 | S | S | * | * | trans | -149.8 | 138.8 | 154.9 | 32.2 | 173.4 | 0 | 0 | 0 | 109.3 | ||||
| 570 | S | 31.7 | Very low | 31.5 | Very low | 115 Ų | 115 | 142.9 Ų | 142.9 | 80% | 0.804 | 84% | 0.844 | S | S | * | * | trans | -146 | 134.5 | 179.9 | 50.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 571 | I | 34.3 | Very low | 31.6 | Very low | 175 Ų | 175 | 145 Ų | 145 | 90% | 0.897 | 84% | 0.839 | S | S | * | * | trans | -164.3 | 142.2 | 169.4 | -105.7 | 150.6 | 0 | 0 | 0 | 109.1 | ||||
| 572 | G | 28.8 | Very low | 31.8 | Very low | 81 Ų | 81 | 141.1 Ų | 141.1 | 84% | 0.835 | 84% | 0.84 | S | S | * | * | trans | 58.1 | 107.1 | 150.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 573 | G | 29.4 | Very low | 32 | Very low | 73 Ų | 73 | 144 Ų | 144 | 75% | 0.753 | 84% | 0.842 | S | S | * | * | trans | -121.8 | 158.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 574 | S | 32.2 | Very low | 32.3 | Very low | 136 Ų | 136 | 147.5 Ų | 147.5 | 95% | 0.951 | 85% | 0.846 | S | S | * | * | trans | -170.4 | 146 | 160.1 | -81.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 575 | G | 31 | Very low | 32.4 | Very low | 84 Ų | 84 | 146.2 Ų | 146.2 | 87% | 0.866 | 84% | 0.843 | S | S | * | * | trans | 121.9 | 65.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 576 | E | 31.9 | Very low | 32.9 | Very low | 170 Ų | 170 | 144.5 Ų | 144.5 | 79% | 0.794 | 84% | 0.837 | S | S | * | * | trans | -89.3 | 140 | 171.1 | 178.8 | 174.1 | -174.7 | 0 | 0 | 111.1 | ||||
| 577 | L | 33.2 | Very low | 33.4 | Very low | 164 Ų | 164 | 148.4 Ų | 148.4 | 86% | 0.859 | 84% | 0.838 | S | S | * | * | trans | -163.2 | 142.3 | 143.7 | -111 | 170.7 | 0 | 0 | 0 | 111.1 | ||||
| 578 | Q | 30.9 | Very low | 33.6 | Very low | 161 Ų | 161 | 152 Ų | 152 | 75% | 0.752 | 83% | 0.834 | S | S | * | * | trans | -74.7 | 142.9 | -166.8 | -62.8 | 156.9 | -63.7 | 0 | 0 | 113.3 | ||||
| 579 | R | 34.2 | Very low | 34 | Very low | 242 Ų | 242 | 157.3 Ų | 157.3 | 91% | 0.913 | 84% | 0.838 | S | S | * | * | trans | -112.2 | 112.1 | 156.6 | -83.4 | -167.2 | 173.6 | -159.7 | -0.7 | 110.4 | R581 | R579-R581 PolarHBondContact O-N 3.1Š| ||
| 580 | Q | 32.8 | Very low | 34.3 | Very low | 182 Ų | 182 | 153.8 Ų | 153.8 | 85% | 0.85 | 83% | 0.825 | S | S | * | * | trans | -56.9 | 122 | 166.1 | -161.9 | 81.7 | -10.8 | 0 | 0 | 109.3 | ||||
| 581 | R | 35.4 | Very low | 34.7 | Very low | 226 Ų | 226 | 159.5 Ų | 159.5 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | trans | -132 | 127.2 | 161.2 | -81.9 | -156.3 | -75.5 | -158.8 | -2.3 | 110.1 | R579 | R579-R581 PolarHBondContact O-N 3.1Š| ||
| 582 | V | 36.7 | Very low | 34.8 | Very low | 143 Ų | 143 | 158.8 Ų | 158.8 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 129.3 | 167.4 | 178.9 | 0 | 0 | 0 | 0 | 107.8 | ||
| 583 | M | 32.9 | Very low | 35.2 | Very low | 177 Ų | 177 | 161.2 Ų | 161.2 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 120.9 | 171.8 | -77.9 | 179.2 | 58.8 | 0 | 0 | 109.9 | ||
| 584 | E | 34 | Very low | 35.5 | Very low | 186 Ų | 186 | 164.8 Ų | 164.8 | 87% | 0.869 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 136.3 | 166.9 | -168 | 176.6 | 178.2 | 0 | 0 | 109.8 | V586 | E584-V586 PolarHBondContact O-N 3Š|
| 585 | A | 37.1 | Very low | 35.5 | Very low | 83 Ų | 83 | 164 Ų | 164 | 69% | 0.686 | 81% | 0.81 | S | S | * | * | trans | -85.8 | 94.2 | -164.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | H587 | A585-H587 PolarHBondContact O-N 3.32Å; A585-H587 PolarHBondContact O-ND1 3.28Å | ||
| 586 | V | 39.5 | Very low | 35.9 | Very low | 113 Ų | 113 | 167.1 Ų | 167.1 | 69% | 0.685 | 81% | 0.805 | S | S | * | * | trans | -74.3 | 111.4 | 171.3 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | E584 F588 | E584-V586 PolarHBondContact O-N 3Å; V586-F588 HydrophobicContact CB-CD2 4.5Å; V586-F588 HydrophobicContact CB-CE2 4.23Å; V586-F588 HydrophobicContact CG1-CD2 4.08Å; V586-F588 HydrophobicContact CG1-CE2 3.79Å; V586-F588 HydrophobicContact CG1-CZ 4.46Å; V586-F588 PolarHBondContact O-N 3.08Å; V586-F588 VanDerWaalsContact O-N 3.09Å | ||
| 587 | H | 38.1 | Very low | 36.1 | Very low | 184 Ų | 184 | 164.3 Ų | 164.3 | 85% | 0.852 | 80% | 0.802 | S | S | * | * | trans | -74.3 | 95.8 | 177.8 | -79.8 | 76.9 | 0 | 0 | 0 | 112.2 | A585 | A585-H587 PolarHBondContact O-N 3.32Å; A585-H587 PolarHBondContact O-ND1 3.28Å | ||
| 588 | F | 34.4 | Very low | 36.1 | Very low | 181 Ų | 181 | 164.3 Ų | 164.3 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | -75.4 | 122.7 | 170.6 | -81.3 | -92.4 | 0 | 0 | 0 | 111.7 | V586 V590 | V586-F588 HydrophobicContact CB-CD2 4.5Å; V586-F588 HydrophobicContact CB-CE2 4.23Å; V586-F588 HydrophobicContact CG1-CD2 4.08Å; V586-F588 HydrophobicContact CG1-CE2 3.79Å; V586-F588 HydrophobicContact CG1-CZ 4.46Å; V586-F588 PolarHBondContact O-N 3.08Å; V586-F588 VanDerWaalsContact O-N 3.09Å; F588-V590 PolarHBondContact O-N 3.28Å | ||
| 589 | R | 42.8 | Very low | 36.3 | Very low | 247 Ų | 247 | 168.4 Ų | 168.4 | 93% | 0.932 | 81% | 0.811 | S | S | * | * | trans | -93.2 | 91.4 | 173.8 | -135.3 | 177.3 | -171 | 145.6 | 1.7 | 110.1 | R591 | R589-R591 PolarHBondContact O-N 2.82Š| ||
| 590 | V | 38.1 | Very low | 36.1 | Very low | 106 Ų | 106 | 160.3 Ų | 160.3 | 64% | 0.642 | 80% | 0.804 | S | S | * | * | trans | -63.2 | 126.7 | 176.5 | 177.1 | 0 | 0 | 0 | 0 | 110.1 | F588 | F588-V590 PolarHBondContact O-N 3.28Š| ||
| 591 | R | 40.2 | Very low | 35.9 | Very low | 235 Ų | 235 | 155.6 Ų | 155.6 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | trans | -92.9 | 108.7 | 163.7 | -86.3 | -177 | 164.8 | 168.9 | -4.6 | 108.8 | R589 T593 | R589-R591 PolarHBondContact O-N 2.82Å; R591-T593 PolarHBondContact O-N 3.21Å | ||
| 592 | H | 38.2 | Very low | 35.8 | Very low | 161 Ų | 161 | 149.9 Ų | 149.9 | 75% | 0.745 | 81% | 0.805 | S | S | * | * | trans | -73.3 | 120.3 | 167.3 | -72.9 | 109.9 | 0 | 0 | 0 | 110 | ||||
| 593 | T | 35.8 | Very low | 35.6 | Very low | 131 Ų | 131 | 146.6 Ų | 146.6 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -85.3 | 112.1 | 164.6 | -59.9 | 0 | 0 | 0 | 0 | 107.8 | R591 | R591-T593 PolarHBondContact O-N 3.21Š| ||
| 594 | I | 35.8 | Very low | 35.5 | Very low | 148 Ų | 148 | 143 Ų | 143 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | trans | -92.6 | 106.6 | 177.3 | -55.6 | 177.5 | 0 | 0 | 0 | 108.6 | ||||
| 595 | T | 33.2 | Very low | 35.5 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 122.5 | 168.9 | -55.3 | 0 | 0 | 0 | 0 | 109 | P597 | T595-P597 WeakPolarHBondContact O-CD 3.49Š|
| 596 | I | 38.8 | Very low | 35.4 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 116.8 | 176.1 | -57.6 | 174.9 | 0 | 0 | 0 | 108.7 | ||
| 597 | P | 35.8 | Very low | 35.1 | Very low | 111 Ų | 111 | 140.8 Ų | 140.8 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 138.1 | 174.7 | 31.1 | -33.6 | 0 | 0 | 0 | 110.9 | T595 | T595-P597 WeakPolarHBondContact O-CD 3.49Š|
| 598 | N | 32.8 | Very low | 35.7 | Very low | 165 Ų | 165 | 137.2 Ų | 137.2 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 134.9 | 178 | -169.5 | 10.6 | 0 | 0 | 0 | 111.1 | G600 | N598-G600 PolarHBondContact O-N 2.67Š|
| 599 | R | 35.1 | Very low | 35.6 | Very low | 246 Ų | 246 | 135.5 Ų | 135.5 | 93% | 0.928 | 80% | 0.796 | S | S | * | * | trans | -88.1 | 89.5 | 179.5 | -100.9 | -171.6 | 172.8 | -173.9 | -0.7 | 111.6 | ||||
| 600 | G | 30.1 | Very low | 35.1 | Very low | 73 Ų | 73 | 131.4 Ų | 131.4 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | -97.7 | 133.8 | 147.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | N598 | N598-G600 PolarHBondContact O-N 2.67Š| ||
| 601 | G | 29.5 | Very low | 34.8 | Very low | 83 Ų | 83 | 138 Ų | 138 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | trans | -111.3 | 151.3 | -164.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 602 | A | 32.7 | Very low | 34.4 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 88% | 0.876 | 79% | 0.791 | S | S | * | * | trans | -158 | 142.4 | 153 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 603 | G | 31.9 | Very low | 34.3 | Very low | 74 Ų | 74 | 129.8 Ų | 129.8 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | 14.7 | 126.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 604 | A | 31.9 | Very low | 34 | Very low | 101 Ų | 101 | 133.4 Ų | 133.4 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | 68.3 | 148.9 | 123.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 605 | V | 34.6 | Very low | 33.9 | Very low | 126 Ų | 126 | 129.1 Ų | 129.1 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | cis | -161.6 | 172.7 | -9.6 | 114.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 606 | T | 34.2 | Very low | 33.7 | Very low | 139 Ų | 139 | 133.2 Ų | 133.2 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | 78.4 | 139.3 | 178.5 | 63.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 607 | G | 33.3 | Very low | 33.5 | Very low | 70 Ų | 70 | 133.6 Ų | 133.6 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | trans | -133.9 | -142.2 | 162 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 608 | P | 50.3 | Low | 33.5 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 71% | 0.714 | 80% | 0.804 | S | S | * | * | cis | -129.9 | -150.7 | 0.5 | 36.3 | -13.8 | 0 | 0 | 0 | 112.2 | ||||
| 609 | D | 31.8 | Very low | 33.9 | Very low | 145 Ų | 145 | 133.6 Ų | 133.6 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | trans | 68.5 | 148.5 | 163.5 | -51.6 | -16 | 0 | 0 | 0 | 118.8 | ||||
| 610 | E | 33.4 | Very low | 33.9 | Very low | 161 Ų | 161 | 127.2 Ų | 127.2 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | cis | -163.4 | 139.9 | -34.2 | -170.4 | -169.1 | 108 | 0 | 0 | 106.6 | ||||
| 611 | W | 31.1 | Very low | 34 | Very low | 244 Ų | 244 | 129.8 Ų | 129.8 | 92% | 0.924 | 79% | 0.789 | S | S | * | * | trans | -178.3 | 126.9 | 141.9 | -96.5 | 2.5 | 0 | 0 | 0 | 115.2 | ||||
| 612 | A | 33 | Very low | 34.2 | Very low | 82 Ų | 82 | 133.5 Ų | 133.5 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | 27.7 | 102 | 147.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 613 | D | 35 | Very low | 34.3 | Very low | 141 Ų | 141 | 133.4 Ų | 133.4 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | trans | -26.3 | 140 | 136.1 | 177.8 | 23.2 | 0 | 0 | 0 | 116.1 | G615 | D613-G615 PolarHBondContact OD1-N 3.24Š| ||
| 614 | F | 29.2 | Very low | 34.2 | Very low | 207 Ų | 207 | 141.7 Ų | 141.7 | 91% | 0.908 | 78% | 0.783 | S | S | * | * | trans | -147.1 | 79.8 | 154.2 | -104.5 | -75.4 | 0 | 0 | 0 | 109.4 | ||||
| 615 | G | 34.8 | Very low | 34.3 | Very low | 58 Ų | 58 | 146.2 Ų | 146.2 | 60% | 0.598 | 78% | 0.784 | S | S | * | * | trans | -68.1 | 148.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | D613 | D613-G615 PolarHBondContact OD1-N 3.24Š| ||
| 616 | F | 29.1 | Very low | 34 | Very low | 205 Ų | 205 | 148.4 Ų | 148.4 | 90% | 0.899 | 79% | 0.786 | S | S | * | * | trans | -145.5 | 107.1 | 154.1 | -148.8 | -84.2 | 0 | 0 | 0 | 109.1 | ||||
| 617 | D | 35.3 | Very low | 34.1 | Very low | 158 Ų | 158 | 147.1 Ų | 147.1 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -70 | 147 | -175.5 | -97.4 | -49.8 | 0 | 0 | 0 | 113 | ||||
| 618 | L | 34.9 | Very low | 34 | Very low | 154 Ų | 154 | 152 Ų | 152 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | -127.2 | 130.3 | 167.1 | -136.8 | 75.8 | 0 | 0 | 0 | 107.8 | ||||
| 619 | P | 41.5 | Very low | 33.1 | Very low | 123 Ų | 123 | 154.4 Ų | 154.4 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -66.8 | 141.4 | -166.1 | 24 | -34 | 0 | 0 | 0 | 114 | ||||
| 620 | D | 35.5 | Very low | 33.3 | Very low | 112 Ų | 112 | 156 Ų | 156 | 60% | 0.599 | 79% | 0.789 | S | S | * | * | trans | -73.7 | 126.5 | -172.6 | -177.1 | 11.6 | 0 | 0 | 0 | 113.3 | K622 | D620-K622 WeakPolarHBondContact OD1-CG 3.39Å; D620-K622 VanDerWaalsContact OD2-CE 3.31Å; D620-K622 WeakPolarHBondContact OD2-CE 3.36Å; D620-K622 WeakPolarHBondContact OD2-CG 3.46Å; D620-K622 IonicContact OD2-NZ 2.6Å; D620-K622 PolarHBondContact OD2-NZ 3.11Å | ||
| 621 | C | 30.5 | Very low | 33.1 | Very low | 127 Ų | 127 | 155.4 Ų | 155.4 | 86% | 0.858 | 79% | 0.787 | S | S | * | * | trans | -112.9 | 84.7 | 173.5 | -89.3 | 0 | 0 | 0 | 0 | 111.4 | S623 | C621-S623 PolarHBondContact O-N 2.98Š| ||
| 622 | K | 33.6 | Very low | 33.1 | Very low | 161 Ų | 161 | 153.2 Ų | 153.2 | 70% | 0.7 | 78% | 0.784 | S | S | * | * | trans | -70.6 | 115.9 | -178.6 | -70.1 | -169.3 | 168.4 | 84.2 | 0 | 114.1 | D620 | D620-K622 WeakPolarHBondContact OD1-CG 3.39Å; D620-K622 VanDerWaalsContact OD2-CE 3.31Å; D620-K622 WeakPolarHBondContact OD2-CE 3.36Å; D620-K622 WeakPolarHBondContact OD2-CG 3.46Å; D620-K622 IonicContact OD2-NZ 2.6Å; D620-K622 PolarHBondContact OD2-NZ 3.11Å | ||
| 623 | S | 35.1 | Very low | 33.1 | Very low | 104 Ų | 104 | 155.7 Ų | 155.7 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | 43.9 | 123.4 | 137.2 | 65.8 | 0 | 0 | 0 | 0 | 121.2 | C621 | C621-S623 PolarHBondContact O-N 2.98Š| ||
| 624 | R | 29.8 | Very low | 33 | Very low | 247 Ų | 247 | 157 Ų | 157 | 93% | 0.932 | 79% | 0.793 | S | S | * | * | trans | -141.3 | 118.2 | 133.9 | -159.3 | 172.3 | -173.4 | -178.5 | 1.3 | 110.5 | ||||
| 625 | K | 33.6 | Very low | 33.1 | Very low | 196 Ų | 196 | 153.3 Ų | 153.3 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | trans | -98.4 | 136 | 174 | -69.6 | -178.7 | 177.3 | -179.9 | 0 | 109.9 | ||||
| 626 | Q | 30 | Very low | 33 | Very low | 172 Ų | 172 | 158.4 Ų | 158.4 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -147.7 | 125 | 152.3 | -83.3 | -61.6 | -2 | 0 | 0 | 107.8 | ||||
| 627 | P | 35.1 | Very low | 33.1 | Very low | 113 Ų | 113 | 152.8 Ų | 152.8 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 138.8 | 172.9 | 33.9 | -30.7 | 0 | 0 | 0 | 110.8 | ||
| 628 | I | 31.3 | Very low | 33.2 | Very low | 172 Ų | 172 | 157.7 Ų | 157.7 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 134.7 | 165.8 | -67.1 | 175.6 | 0 | 0 | 0 | 107.9 | ||
| 629 | K | 32.3 | Very low | 33.1 | Very low | 160 Ų | 160 | 157.9 Ų | 157.9 | 70% | 0.696 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 131 | 176.7 | -178.7 | -157.9 | 169.2 | -151.2 | 0 | 108.3 | E631 | K629-E631 IonicContact NZ-OE2 2.68Å; K629-E631 PolarHBondContact NZ-OE2 3.45Å |
| 630 | E | 34.6 | Very low | 32.7 | Very low | 178 Ų | 178 | 159.7 Ų | 159.7 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 143.7 | 169.2 | -65 | 174.9 | 131.4 | 0 | 0 | 110.4 | ||
| 631 | E | 30.1 | Very low | 32.5 | Very low | 150 Ų | 150 | 162.4 Ų | 162.4 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | trans | -140.6 | 123.3 | 169.3 | -163.4 | 153.5 | 143.4 | 0 | 0 | 108.6 | K629 | K629-E631 IonicContact NZ-OE2 2.68Å; K629-E631 PolarHBondContact NZ-OE2 3.45Å | ||
| 632 | F | 31.8 | Very low | 32.6 | Very low | 197 Ų | 197 | 164.5 Ų | 164.5 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -85.4 | 139.4 | 173.5 | -100.2 | -108.7 | 0 | 0 | 0 | 109.2 | ||||
| 633 | T | 31.4 | Very low | 32.6 | Very low | 135 Ų | 135 | 164.7 Ų | 164.7 | 83% | 0.828 | 81% | 0.814 | S | S | * | * | trans | -132.4 | 127.5 | 164.1 | 45.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 634 | E | 32.5 | Very low | 32.4 | Very low | 169 Ų | 169 | 168.7 Ų | 168.7 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | trans | -151 | 158.4 | 174.1 | -166.5 | 168.7 | -149.7 | 0 | 0 | 106.7 | ||||
| 635 | T | 31.5 | Very low | 32.6 | Very low | 129 Ų | 129 | 163.1 Ų | 163.1 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | trans | 71 | 140.7 | -170 | 79.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 636 | E | 33.3 | Very low | 32.5 | Very low | 165 Ų | 165 | 160.6 Ų | 160.6 | 77% | 0.771 | 81% | 0.808 | S | S | * | * | cis | -156.5 | 172.6 | -11.9 | -137.4 | -166.2 | 74 | 0 | 0 | 113 | ||||
| 637 | S | 31.7 | Very low | 32.7 | Very low | 87 Ų | 87 | 159.7 Ų | 159.7 | 61% | 0.608 | 81% | 0.809 | S | S | * | * | trans | 24.4 | 122.1 | 152.2 | 49.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 638 | H | 36.8 | Very low | 32.5 | Very low | 261 Ų | 261 | 163.9 Ų | 163.9 | 100% | 1.208 | 82% | 0.816 | S | S | * | * | -150.7 | 0 | 122.9 | -129.4 | -48.5 | 0 | 0 | 0 | 114 |
Retrieved 638 of 638 residues in 331 ms
(Link to these results)