| 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 | 44.5 | Very low | 50.1 | Low | 239 Ų | 239 | 144.5 Ų | 144.5 | 100% | 1.177 | 79% | 0.793 | S | S | * | * | 0 | 94.5 | 0 | -65.1 | 177.3 | 171.9 | 0 | 0 | 105.2 | |||||
| 2 | A | 41.2 | Very low | 50.5 | Low | 94 Ų | 94 | 140.3 Ų | 140.3 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | 57.1 | 120.1 | 71.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 3 | T | 43.3 | Very low | 50.4 | Low | 114 Ų | 114 | 141.5 Ų | 141.5 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | cis | -168.8 | 171.8 | 28.8 | 54 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 4 | T | 51.9 | Low | 50.8 | Low | 133 Ų | 133 | 140.4 Ų | 140.4 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | trans | 72.9 | 136.7 | 142.7 | 49.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 5 | A | 57.4 | Low | 50.5 | Low | 86 Ų | 86 | 136.3 Ų | 136.3 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | cis | -169 | 130.8 | -4 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 6 | E | 52.9 | Low | 50.7 | Low | 195 Ų | 195 | 133.4 Ų | 133.4 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | 38.2 | 142.6 | 87.4 | -59.8 | -137.1 | 137.4 | 0 | 0 | 118 | |||||
| 7 | D | 47.3 | Very low | 50.6 | Low | 133 Ų | 133 | 132.5 Ų | 132.5 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | 110 | 123.6 | 162.9 | -147.1 | -100.3 | 0 | 0 | 0 | 115.5 | ||||
| 8 | V | 49.6 | Very low | 50.7 | Low | 96 Ų | 96 | 131.7 Ų | 131.7 | 58% | 0.582 | 78% | 0.782 | S | S | * | * | cis | 170.3 | 169.1 | -11.5 | 121.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 9 | R | 50 | Low | 50.8 | Low | 211 Ų | 211 | 132.2 Ų | 132.2 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | trans | 85.3 | 97.1 | 154 | -89.3 | 152 | -135.1 | 165.3 | 14.7 | 120.2 | ||||
| 10 | E | 57.8 | Low | 50.7 | Low | 183 Ų | 183 | 133.8 Ų | 133.8 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | 42 | 153.9 | 105.4 | -77.9 | -78.9 | 117.5 | 0 | 0 | 122 | |||||
| 11 | P | 55.5 | Low | 50.3 | Low | 106 Ų | 106 | 135.4 Ų | 135.4 | 69% | 0.688 | 79% | 0.79 | S | S | * | * | trans | -88.1 | 149.3 | -158.2 | 37.2 | -33.7 | 0 | 0 | 0 | 113.3 | ||||
| 12 | A | 54.6 | Low | 50.7 | Low | 93 Ų | 93 | 128.3 Ų | 128.3 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | -108.5 | 100.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 13 | D | 49 | Very low | 50.6 | Low | 156 Ų | 156 | 126.8 Ų | 126.8 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | trans | -59.6 | 123.2 | 150.6 | -165.3 | -19.5 | 0 | 0 | 0 | 108.6 | ||||
| 14 | V | 56.1 | Low | 51.5 | Low | 127 Ų | 127 | 127.2 Ų | 127.2 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | -133.4 | 93.3 | 167.7 | -179.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 15 | A | 45.9 | Very low | 51.7 | Low | 78 Ų | 78 | 128.5 Ų | 128.5 | 65% | 0.645 | 76% | 0.757 | S | S | * | * | trans | -3.6 | 131.6 | 145.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 16 | A | 54.3 | Low | 51.4 | Low | 91 Ų | 91 | 132.3 Ų | 132.3 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | trans | -58 | 161.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 17 | P | 48.4 | Very low | 51.7 | Low | 117 Ų | 117 | 130.4 Ų | 130.4 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | trans | -112.9 | 116.9 | 140.7 | 30.1 | -19.2 | 0 | 0 | 0 | 110.6 | T19 | P17-T19 PolarHBondContact O-N 2.83Š| ||
| 18 | S | 52 | Low | 52 | Low | 118 Ų | 118 | 131 Ų | 131 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | -56.2 | 122.1 | 161.5 | -59.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 19 | T | 54.3 | Low | 52.3 | Low | 141 Ų | 141 | 131.9 Ų | 131.9 | 87% | 0.865 | 76% | 0.764 | S | S | * | * | trans | -109.7 | 103 | 157.9 | 41.9 | 0 | 0 | 0 | 0 | 108.3 | P17 L21 | P17-T19 PolarHBondContact O-N 2.83Å; T19-L21 PolarHBondContact O-N 3.47Å | ||
| 20 | H | 48 | Very low | 52.5 | Low | 164 Ų | 164 | 128.4 Ų | 128.4 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | -73.6 | 109.7 | 171.1 | -173.5 | -98.7 | 0 | 0 | 0 | 107.9 | S22 | H20-S22 PolarHBondContact CE1-OG 3.39Å; H20-S22 PolarHBondContact ND1-OG 3.45Å | ||
| 21 | L | 43.3 | Very low | 52.4 | Low | 169 Ų | 169 | 126.5 Ų | 126.5 | 89% | 0.885 | 76% | 0.756 | S | S | * | * | trans | -115.6 | 99.9 | 161.3 | -162.9 | 67 | 0 | 0 | 0 | 109 | T19 | T19-L21 PolarHBondContact O-N 3.47Š| ||
| 22 | S | 51.3 | Low | 52.5 | Low | 90 Ų | 90 | 128 Ų | 128 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | trans | -61.1 | 129 | 166.4 | -50.5 | 0 | 0 | 0 | 0 | 109.7 | H20 | H20-S22 PolarHBondContact CE1-OG 3.39Å; H20-S22 PolarHBondContact ND1-OG 3.45Å | ||
| 23 | G | 40.5 | Very low | 52.6 | Low | 62 Ų | 62 | 129.7 Ų | 129.7 | 64% | 0.639 | 76% | 0.755 | S | S | * | * | trans | -160.6 | 75.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 24 | T | 60.5 | Low | 53.3 | Low | 122 Ų | 122 | 128.3 Ų | 128.3 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | 56.9 | 101.4 | 149.6 | 54.9 | 0 | 0 | 0 | 0 | 119.1 | H26 | T24-H26 PolarHBondContact O-N 3.4Š| ||
| 25 | Q | 57.1 | Low | 53.5 | Low | 161 Ų | 161 | 128 Ų | 128 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | trans | -46.3 | 116.2 | 150 | -134.9 | 114.8 | -0.8 | 0 | 0 | 110.5 | ||||
| 26 | H | 51.2 | Low | 54.5 | Low | 166 Ų | 166 | 131 Ų | 131 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | -122.2 | 93.4 | 159.1 | -84.7 | -102.6 | 0 | 0 | 0 | 108.1 | T24 N28 | T24-H26 PolarHBondContact O-N 3.4Å; H26-N28 PolarHBondContact O-N 3.25Å | ||
| 27 | H | 58.7 | Low | 54.9 | Low | 155 Ų | 155 | 132 Ų | 132 | 72% | 0.718 | 74% | 0.739 | S | S | * | * | trans | -60 | 114.8 | 157.9 | -62.2 | 105.8 | 0 | 0 | 0 | 107.4 | ||||
| 28 | N | 53.6 | Low | 55.8 | Low | 144 Ų | 144 | 135.4 Ų | 135.4 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | trans | -127.7 | 77.9 | 163.3 | -167.2 | 22 | 0 | 0 | 0 | 109.1 | H26 N30 | H26-N28 PolarHBondContact O-N 3.25Å; N28-N30 PolarHBondContact O-N 3.23Å | ||
| 29 | S | 57.2 | Low | 56.4 | Low | 116 Ų | 116 | 135.3 Ų | 135.3 | 81% | 0.811 | 73% | 0.732 | S | S | * | * | trans | -75.4 | 105.5 | 162.8 | -55.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 30 | N | 53.5 | Low | 56.4 | Low | 138 Ų | 138 | 134.5 Ų | 134.5 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | trans | -121.9 | 88.7 | 161.5 | -158.3 | 8.1 | 0 | 0 | 0 | 110 | N28 | N28-N30 PolarHBondContact O-N 3.23Š| ||
| 31 | N | 54.5 | Low | 56.2 | Low | 142 Ų | 142 | 135.4 Ų | 135.4 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | trans | -85 | 101 | 167.7 | 175.6 | 18.9 | 0 | 0 | 0 | 107.5 | ||||
| 32 | N | 58.7 | Low | 56.5 | Low | 138 Ų | 138 | 132.2 Ų | 132.2 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | trans | -105.1 | 91 | 167.7 | -168.3 | 6.8 | 0 | 0 | 0 | 109.5 | ||||
| 33 | N | 57 | Low | 56 | Low | 129 Ų | 129 | 132.6 Ų | 132.6 | 69% | 0.69 | 74% | 0.739 | S | S | * | * | trans | -92.6 | 98.4 | 166 | -179.8 | 18.9 | 0 | 0 | 0 | 108 | ||||
| 34 | N | 63.2 | Low | 55.9 | Low | 127 Ų | 127 | 135 Ų | 135 | 68% | 0.679 | 75% | 0.752 | S | S | * | * | trans | -95.5 | 95.2 | 166.9 | -169.8 | 7.8 | 0 | 0 | 0 | 109.2 | ||||
| 35 | N | 60.7 | Low | 54.7 | Low | 121 Ų | 121 | 132.4 Ų | 132.4 | 65% | 0.647 | 75% | 0.75 | S | S | * | * | trans | -93.1 | 108 | 163.7 | 173.1 | 22.3 | 0 | 0 | 0 | 107.7 | N37 | N35-N37 PolarHBondContact OD1-N 3.37Š| ||
| 36 | N | 67.3 | Low | 53.8 | Low | 139 Ų | 139 | 134.2 Ų | 134.2 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | -105.9 | 90.3 | 166.7 | -129.4 | 7.7 | 0 | 0 | 0 | 108.3 | ||||
| 37 | N | 61.6 | Low | 53.1 | Low | 112 Ų | 112 | 131.8 Ų | 131.8 | 60% | 0.599 | 76% | 0.761 | S | S | * | * | trans | -75.9 | 114.3 | 160.5 | -172.4 | 43.2 | 0 | 0 | 0 | 107.5 | N35 D39 | N35-N37 PolarHBondContact OD1-N 3.37Å; N37-D39 PolarHBondContact ND2-OD2 3.19Å; N37-D39 PolarHBondContact OD1-OD2 3.34Å | ||
| 38 | K | 67.1 | Low | 52.2 | Low | 190 Ų | 190 | 128.4 Ų | 128.4 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | trans | -118.1 | 89.2 | 172.4 | -165.8 | 176.8 | -173.4 | -179 | 0 | 108.6 | ||||
| 39 | D | 64.6 | Low | 51.3 | Low | 115 Ų | 115 | 127.4 Ų | 127.4 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | trans | -87.7 | 154.7 | 163 | -69.5 | -51.2 | 0 | 0 | 0 | 110.1 | N37 | N37-D39 PolarHBondContact ND2-OD2 3.19Å; N37-D39 PolarHBondContact OD1-OD2 3.34Å | ||
| 40 | T | 54.4 | Low | 50.3 | Low | 125 Ų | 125 | 127.6 Ų | 127.6 | 77% | 0.767 | 76% | 0.76 | S | S | * | * | trans | 77.7 | 129 | 172.1 | 8.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 41 | E | 45.1 | Very low | 49.8 | Very low | 183 Ų | 183 | 125.7 Ų | 125.7 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | cis | -143.1 | 154.4 | 28.8 | -69.7 | -175.2 | 130.8 | 0 | 0 | 113.4 | ||||
| 42 | A | 48.3 | Very low | 48.9 | Very low | 102 Ų | 102 | 125.1 Ų | 125.1 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | -71.1 | 141.9 | 168 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 43 | A | 40.8 | Very low | 48 | Very low | 98 Ų | 98 | 124.8 Ų | 124.8 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | -156.2 | 109.6 | 150 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 44 | A | 38.6 | Very low | 47 | Very low | 111 Ų | 111 | 123.5 Ų | 123.5 | 92% | 0.917 | 78% | 0.781 | S | S | * | * | trans | 47.6 | 127.3 | 139.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 45 | G | 36.7 | Very low | 45.7 | Very low | 69 Ų | 69 | 121.7 Ų | 121.7 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | 154.6 | 75.5 | 147.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 46 | E | 36.2 | Very low | 44.6 | Very low | 199 Ų | 199 | 121.2 Ų | 121.2 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | trans | 51.8 | 138 | 132.7 | -56.5 | -178.5 | 139.1 | 0 | 0 | 118.9 | ||||
| 47 | S | 37.3 | Very low | 43.1 | Very low | 115 Ų | 115 | 123 Ų | 123 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | cis | -177.5 | 140 | 12.7 | 173.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 48 | A | 40.6 | Very low | 42.4 | Very low | 84 Ų | 84 | 123.1 Ų | 123.1 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | trans | 169.1 | 94.1 | 138.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 49 | T | 33.5 | Very low | 40.8 | Very low | 123 Ų | 123 | 118 Ų | 118 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | 55.1 | 124 | 128.4 | 63.8 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 50 | S | 37.4 | Very low | 39.3 | Very low | 120 Ų | 120 | 116.2 Ų | 116.2 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | 84.2 | 130.1 | 142 | -51.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 51 | A | 43 | Very low | 38.9 | Very low | 98 Ų | 98 | 117.7 Ų | 117.7 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | cis | -154.6 | 162.6 | 16 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 52 | T | 35.6 | Very low | 38.6 | Very low | 130 Ų | 130 | 113.6 Ų | 113.6 | 80% | 0.798 | 82% | 0.817 | S | S | * | * | trans | -63.4 | 145.2 | -177.7 | 51.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 53 | S | 38.5 | Very low | 38.2 | Very low | 130 Ų | 130 | 113.4 Ų | 113.4 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | trans | -164.4 | 129.5 | 138.5 | -71.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 54 | A | 36.1 | Very low | 38.4 | Very low | 103 Ų | 103 | 117.7 Ų | 117.7 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | trans | -92.2 | 154 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 55 | A | 36.9 | Very low | 38.6 | Very low | 89 Ų | 89 | 118 Ų | 118 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | 147.2 | 108.3 | 124.4 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 56 | S | 36 | Very low | 39.4 | Very low | 111 Ų | 111 | 122.1 Ų | 122.1 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | 56.7 | 109 | 126 | -40.4 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 57 | E | 37.3 | Very low | 39.6 | Very low | 177 Ų | 177 | 115.9 Ų | 115.9 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | 42.5 | 160.5 | 121.9 | -58.6 | -73.4 | 105.2 | 0 | 0 | 121.2 | |||||
| 58 | P | 45.8 | Very low | 40.3 | Very low | 113 Ų | 113 | 118 Ų | 118 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | cis | -137.1 | 174.7 | -6 | 29.3 | -5.8 | 0 | 0 | 0 | 115.3 | ||||
| 59 | G | 34 | Very low | 40.6 | Very low | 84 Ų | 84 | 117.7 Ų | 117.7 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | trans | 58.7 | 106.8 | 131.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 60 | G | 33.8 | Very low | 40.9 | Very low | 77 Ų | 77 | 116.4 Ų | 116.4 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | -154.8 | 85.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A62 | G60-A62 PolarHBondContact O-N 2.99Š| ||
| 61 | T | 44.6 | Very low | 41.4 | Very low | 156 Ų | 156 | 117.4 Ų | 117.4 | 96% | 0.957 | 81% | 0.812 | S | S | * | * | trans | -72.7 | 113.3 | 166.2 | -32.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 62 | A | 39.4 | Very low | 41.9 | Very low | 97 Ų | 97 | 118.7 Ų | 118.7 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | -114.5 | 121.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | G60 | G60-A62 PolarHBondContact O-N 2.99Š| ||
| 63 | A | 40.2 | Very low | 42.8 | Very low | 97 Ų | 97 | 120 Ų | 120 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | trans | -62 | 149.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S65 | A63-S65 PolarHBondContact O-N 3.3Š| ||
| 64 | Q | 44.1 | Very low | 43.5 | Very low | 189 Ų | 189 | 120.2 Ų | 120.2 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -58 | 112.5 | 165.6 | -66.4 | 166.7 | 3.9 | 0 | 0 | 109.1 | I66 | Q64-I66 PolarHBondContact O-N 3.21Š| ||
| 65 | S | 43.2 | Very low | 44.2 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -77.8 | 111.8 | 169.2 | 178.6 | 0 | 0 | 0 | 0 | 108.9 | A63 G67 | A63-S65 PolarHBondContact O-N 3.3Å; S65-G67 PolarHBondContact O-N 2.8Å | ||
| 66 | I | 54.5 | Low | 44.5 | Very low | 155 Ų | 155 | 120.4 Ų | 120.4 | 80% | 0.795 | 78% | 0.781 | S | S | * | * | trans | -75 | 105.7 | 164.6 | -61.1 | 171.8 | 0 | 0 | 0 | 106.2 | Q64 | Q64-I66 PolarHBondContact O-N 3.21Š| ||
| 67 | G | 39.2 | Very low | 44.6 | Very low | 69 Ų | 69 | 117.5 Ų | 117.5 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | -126.3 | 102.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | S65 | S65-G67 PolarHBondContact O-N 2.8Š| ||
| 68 | N | 51.8 | Low | 45.1 | Very low | 158 Ų | 158 | 115.5 Ų | 115.5 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | trans | -61 | 139.2 | 171.1 | -74.7 | 53.9 | 0 | 0 | 0 | 111.9 | ||||
| 69 | G | 47.1 | Very low | 45.5 | Very low | 79 Ų | 79 | 116.2 Ų | 116.2 | 81% | 0.814 | 76% | 0.762 | S | S | * | * | trans | 110.4 | 75.3 | 148.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 70 | S | 40.7 | Very low | 46.8 | Very low | 96 Ų | 96 | 114 Ų | 114 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | trans | -168.3 | 111.9 | 134.9 | -171.7 | 0 | 0 | 0 | 0 | 107.5 | I72 | S70-I72 PolarHBondContact O-N 3.32Š| ||
| 71 | V | 47.8 | Very low | 49.1 | Very low | 141 Ų | 141 | 115.4 Ų | 115.4 | 86% | 0.855 | 72% | 0.723 | S | S | * | * | trans | -69.3 | 71.8 | 165.6 | -76.9 | 0 | 0 | 0 | 0 | 108 | N73 | V71-N73 PolarHBondContact O-N 3.23Š| ||
| 72 | I | 52.3 | Low | 51.4 | Low | 124 Ų | 124 | 114.3 Ų | 114.3 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | trans | -64.8 | 118.3 | 154.1 | 48.2 | 158 | 0 | 0 | 0 | 105.3 | S70 N74 | S70-I72 PolarHBondContact O-N 3.32Å; I72-N74 PolarHBondContact O-N 2.64Å | ||
| 73 | N | 54.8 | Low | 53.8 | Low | 159 Ų | 159 | 110 Ų | 110 | 85% | 0.85 | 67% | 0.665 | S | S | * | * | trans | -62 | 86 | 166.5 | -84.3 | 8.4 | 0 | 0 | 0 | 107.9 | V71 N75 | V71-N73 PolarHBondContact O-N 3.23Å; N73-N75 PolarHBondContact O-N 3.37Å | ||
| 74 | N | 53.2 | Low | 56.4 | Low | 133 Ų | 133 | 109.8 Ų | 109.8 | 71% | 0.711 | 64% | 0.643 | S | S | * | * | trans | -76.2 | 71.3 | 169 | -171.9 | 69.4 | 0 | 0 | 0 | 107.5 | I72 G76 | I72-N74 PolarHBondContact O-N 2.64Å; N74-G76 WeakPolarHBondContact O-CA 3.41Å; N74-G76 PolarHBondContact O-N 3.45Å | ||
| 75 | N | 50.6 | Low | 58.7 | Low | 154 Ų | 154 | 100.8 Ų | 100.8 | 82% | 0.824 | 60% | 0.601 | S | S | * | * | trans | -74.6 | 91.2 | 161.1 | -169.2 | 57.5 | 0 | 0 | 0 | 106 | N73 | N73-N75 PolarHBondContact O-N 3.37Š| ||
| 76 | G | 44.2 | Very low | 61.2 | Low | 42 Ų | 42 | 96.4 Ų | 96.4 | 43% | 0.433 | 57% | 0.569 | S | S | . | * | cis | 113.4 | 82.6 | 45 | 0 | 0 | 0 | 0 | 0 | 106.8 | N74 | N74-G76 WeakPolarHBondContact O-CA 3.41Å; N74-G76 PolarHBondContact O-N 3.45Å | ||
| 77 | G | 38.5 | Very low | 63.1 | Low | 51 Ų | 51 | 89 Ų | 89 | 53% | 0.526 | 53% | 0.531 | S | S | . | . | S | Bend | trans | 109.5 | 161.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N79 G80 | G77-N79 PolarHBondContact O-N 2.97Å; G77-G80 PolarHBondContact O-N 3.27Å |
| 78 | N | 48.1 | Very low | 65.6 | Low | 134 Ų | 134 | 88.1 Ų | 88.1 | 72% | 0.717 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 10.2 | 176.7 | -59.8 | -58.7 | 0 | 0 | 0 | 115.3 | K81 | N78-K81 VanDerWaalsContact O-CD 3.24Å; N78-K81 WeakPolarHBondContact O-CD 3.24Å; N78-K81 VanDerWaalsContact O-CE 3.29Å; N78-K81 WeakPolarHBondContact O-CE 3.23Å; N78-K81 VanDerWaalsContact O-CG 3.23Å; N78-K81 WeakPolarHBondContact O-CG 3.29Å |
| 79 | N | 52.6 | Low | 67.6 | Low | 129 Ų | 129 | 83.5 Ų | 83.5 | 69% | 0.69 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -17.9 | 175.4 | -58 | -61 | 0 | 0 | 0 | 113.5 | G77 K81 | G77-N79 PolarHBondContact O-N 2.97Å; N79-K81 PolarHBondContact O-N 2.69Å |
| 80 | G | 61.7 | Low | 69.9 | Low | 36 Ų | 36 | 82.9 Ų | 82.9 | 37% | 0.371 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -70.8 | -14.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G77 R96 | G77-G80 PolarHBondContact O-N 3.27Å; G80-R96 WeakPolarHBondContact O-CD 3.21Å; G80-R96 WeakPolarHBondContact O-CG 3.42Å; G80-R96 PolarHBondContact O-NE 2.99Å |
| 81 | K | 83.4 | Confident | 72.5 | Confident | 107 Ų | 107 | 81.6 Ų | 81.6 | 47% | 0.465 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -82.7 | -39.3 | -177.2 | 78.6 | -164.1 | -180 | 179.4 | 0 | 112.8 | N78 N79 T95 R96 | N78-K81 VanDerWaalsContact O-CD 3.24Å; N78-K81 WeakPolarHBondContact O-CD 3.24Å; N78-K81 VanDerWaalsContact O-CE 3.29Å; N78-K81 WeakPolarHBondContact O-CE 3.23Å; N78-K81 VanDerWaalsContact O-CG 3.23Å; N78-K81 WeakPolarHBondContact O-CG 3.29Å; N79-K81 PolarHBondContact O-N 2.69Å; K81-T95 CarbonylContact O-C 3.51Å; K81-T95 WeakPolarHBondContact O-CA 3.47Å; K81-T95 VanDerWaalsContact O-CB 3.29Å; K81-T95 WeakPolarHBondContact O-CB 3.43Å; K81-R96 PolarHBondContact O-N 2.94Å |
| 82 | W | 91.3 | Very high | 74.8 | Confident | 133 Ų | 133 | 76.8 Ų | 76.8 | 50% | 0.504 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 140.7 | -174.6 | -69.2 | 117.8 | 0 | 0 | 0 | 110.4 | L93 T94 T95 | W82-L93 HydrophobicContact CB-CD1 4.26Å; W82-L93 HydrophobicContact CE3-CD1 4.2Å; W82-L93 HydrophobicContact CE3-CD2 4.19Å; W82-L93 HydrophobicContact CE3-CG 3.85Å; W82-L93 HydrophobicContact CZ3-CD2 4.47Å; W82-L93 HydrophobicContact CZ3-CG 4.29Å; W82-T94 CarbonylContact C-O 3.53Å; W82-T94 WeakPolarHBondContact CA-O 3.42Å; W82-T94 VanDerWaalsContact CE3-O 3.26Å; W82-T95 HydrophobicContact CD2-CG2 4.4Å; W82-T95 HydrophobicContact CE3-CG2 3.83Å; W82-T95 HydrophobicContact CH2-CG2 4.36Å; W82-T95 HydrophobicContact CZ3-CG2 3.8Å |
| 83 | V | 91.3 | Very high | 76.8 | Confident | 7 Ų | 7 | 75.1 Ų | 75.1 | 4% | 0.042 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 129.3 | 179 | -178.3 | 0 | 0 | 0 | 0 | 107.7 | L85 T94 R96 L99 Y126 | V83-L85 HydrophobicContact CG1-CD2 3.77Å; V83-L85 HydrophobicContact CG1-CG 4.34Å; V83-T94 HydrophobicContact CB-CG2 4.23Å; V83-T94 PolarHBondContact N-O 2.62Å; V83-T94 PolarHBondContact O-N 2.98Å; V83-R96 HydrophobicContact CG2-CB 4.31Å; V83-R96 HydrophobicContact CG2-CG 3.44Å; V83-R96 VanDerWaalsContact CG2-CG 3.44Å; V83-L99 HydrophobicContact CB-CD1 4.04Å; V83-L99 HydrophobicContact CG1-CD1 3.71Å; V83-L99 HydrophobicContact CG2-CD1 4.25Å; V83-Y126 HydrophobicContact CG1-CD2 3.76Å; V83-Y126 HydrophobicContact CG1-CE2 3.84Å |
| 84 | R | 93.5 | Very high | 78.7 | Confident | 92 Ų | 92 | 67.7 Ų | 67.7 | 35% | 0.347 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 130.9 | 174.5 | -65.9 | 177 | 68.1 | -149.9 | -7.6 | 108.6 | F92 L93 T123 A125 Y126 | R84-F92 WeakPolarHBondContact CA-O 3.38Å; R84-L93 HydrophobicContact CG-CD1 3.63Å; R84-T123 VanDerWaalsContact NH1-CB 3.28Å; R84-T123 PolarHBondContact NH1-O 2.76Å; R84-T123 PolarHBondContact NH1-OG1 2.93Å; R84-T123 PolarHBondContact NH2-OG1 3.32Å; R84-A125 HydrophobicContact CB-CB 3.6Å; R84-A125 WeakPolarHBondContact O-CA 3.4Å; R84-Y126 PolarHBondContact O-N 3.05Å |
| 85 | L | 93.8 | Very high | 80.6 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 123 | 178.4 | -53.7 | 177.2 | 0 | 0 | 0 | 107.7 | V83 V87 V91 F92 T94 L99 L107 L110 Y126 I128 F135 | V83-L85 HydrophobicContact CG1-CD2 3.77Å; V83-L85 HydrophobicContact CG1-CG 4.34Å; L85-V87 HydrophobicContact CB-CG2 4.33Å; L85-V91 CarbonylContact O-C 3.51Å; L85-V91 WeakPolarHBondContact O-CA 3.07Å; L85-F92 HydrophobicContact CB-CB 4.4Å; L85-F92 PolarHBondContact N-O 2.74Å; L85-F92 PolarHBondContact O-N 2.93Å; L85-T94 HydrophobicContact CD1-CG2 4.13Å; L85-L99 HydrophobicContact CD1-CD1 4.36Å; L85-L99 HydrophobicContact CD1-CD2 4.03Å; L85-L99 HydrophobicContact CD2-CD1 4.34Å; L85-L107 HydrophobicContact CD1-CD2 4.32Å; L85-L110 HydrophobicContact CD2-CD2 3.72Å; L85-Y126 CarbonylContact C-O 3.48Å; L85-Y126 WeakPolarHBondContact CA-O 3.43Å; L85-Y126 HydrophobicContact CD2-CD2 4.05Å; L85-Y126 HydrophobicContact CD2-CG 4.44Å; L85-I128 HydrophobicContact CB-CD1 4.42Å; L85-I128 HydrophobicContact CD2-CD1 4.47Å; L85-F135 HydrophobicContact CD1-CE1 3.81Å; L85-F135 HydrophobicContact CD1-CZ 3.55Å |
| 86 | N | 94.8 | Very high | 82.5 | Confident | 25 Ų | 25 | 58.6 Ų | 58.6 | 13% | 0.134 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 104.6 | 173.1 | -176.7 | -15.6 | 0 | 0 | 0 | 108.3 | G89 D121 A125 Y126 V127 I128 | N86-G89 WeakPolarHBondContact OD1-CA 3.07Å; N86-G89 PolarHBondContact OD1-N 2.86Å; N86-G89 VanDerWaalsContact OD1-N 3.08Å; N86-D121 PolarHBondContact ND2-OD2 3.49Å; N86-A125 HydrophobicContact CB-CB 4.09Å; N86-Y126 PolarHBondContact N-O 3.34Å; N86-V127 HydrophobicContact CB-CG2 4.43Å; N86-V127 CarbonylContact O-C 3.52Å; N86-V127 WeakPolarHBondContact O-CA 3.32Å; N86-I128 PolarHBondContact O-N 2.98Å |
| 87 | V | 94.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 107.7 | -175.8 | -172.2 | 0 | 0 | 0 | 0 | 108.6 | L85 G89 T90 F92 I128 R130 P132 F135 | L85-V87 HydrophobicContact CB-CG2 4.33Å; V87-G89 PolarHBondContact O-N 2.8Å; V87-T90 PolarHBondContact N-O 2.89Å; V87-T90 PolarHBondContact O-N 2.86Å; V87-F92 HydrophobicContact CB-CD2 4.09Å; V87-F92 HydrophobicContact CB-CE2 3.87Å; V87-F92 HydrophobicContact CG2-CD2 3.73Å; V87-F92 HydrophobicContact CG2-CE2 3.98Å; V87-I128 WeakPolarHBondContact CA-O 3.37Å; V87-I128 HydrophobicContact CB-CB 4.48Å; V87-I128 HydrophobicContact CG1-CB 4.38Å; V87-I128 HydrophobicContact CG1-CG2 4.36Å; V87-I128 HydrophobicContact CG2-CB 4.14Å; V87-I128 HydrophobicContact CG2-CD1 4.08Å; V87-I128 HydrophobicContact CG2-CG1 4.45Å; V87-R130 CarbonylContact C-O 3.57Å; V87-R130 HydrophobicContact CG1-CB 4.05Å; V87-R130 WeakPolarHBondContact CG1-O 3.29Å; V87-P132 HydrophobicContact CB-CB 4.44Å; V87-P132 HydrophobicContact CG1-CB 4.47Å; V87-P132 WeakPolarHBondContact O-CB 2.86Å; V87-F135 HydrophobicContact CB-CG 4.39Å; V87-F135 HydrophobicContact CG1-CB 4.07Å; V87-F135 HydrophobicContact CG1-CD2 4.22Å; V87-F135 HydrophobicContact CG1-CG 4.12Å; V87-F135 HydrophobicContact CG2-CB 4.49Å; V87-F135 HydrophobicContact CG2-CD1 3.76Å; V87-F135 HydrophobicContact CG2-CD2 4.03Å; V87-F135 HydrophobicContact CG2-CE1 3.92Å; V87-F135 HydrophobicContact CG2-CE2 4.18Å; V87-F135 HydrophobicContact CG2-CG 3.82Å; V87-F135 HydrophobicContact CG2-CZ 4.14Å |
| 88 | G | 92.8 | Very high | 87.3 | Confident | 50 Ų | 50 | 62.2 Ų | 62.2 | 52% | 0.515 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 30.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I128 R130 | G88-I128 PolarHBondContact N-O 3.19Å; G88-R130 WeakPolarHBondContact CA-O 3.33Å; G88-R130 PolarHBondContact N-O 2.82Å; G88-R130 VanDerWaalsContact N-O 3.08Å |
| 89 | G | 92.6 | Very high | 89.3 | Confident | 62 Ų | 62 | 55.8 Ų | 55.8 | 64% | 0.639 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.5 | -6.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | N86 V87 | N86-G89 WeakPolarHBondContact OD1-CA 3.07Å; N86-G89 PolarHBondContact OD1-N 2.86Å; N86-G89 VanDerWaalsContact OD1-N 3.08Å; V87-G89 PolarHBondContact O-N 2.8Å |
| 90 | T | 95.4 | Very high | 91.1 | Very high | 65 Ų | 65 | 52.1 Ų | 52.1 | 40% | 0.399 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 127.7 | 176.8 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | V87 F92 P132 | V87-T90 PolarHBondContact N-O 2.89Å; V87-T90 PolarHBondContact O-N 2.86Å; T90-F92 HydrophobicContact CG2-CD2 4.4Å; T90-F92 HydrophobicContact CG2-CE2 3.77Å; T90-F92 HydrophobicContact CG2-CZ 4.06Å; T90-F92 WeakPolarHBondContact O-CD2 3.29Å; T90-P132 HydrophobicContact CG2-CB 4.21Å; T90-P132 WeakPolarHBondContact OG1-CG 3.41Å |
| 91 | V | 95.9 | Very high | 92.3 | Very high | 70 Ų | 70 | 55.5 Ų | 55.5 | 42% | 0.424 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 121.6 | -178.7 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | L85 | L85-V91 CarbonylContact O-C 3.51Å; L85-V91 WeakPolarHBondContact O-CA 3.07Å |
| 92 | F | 95.3 | Very high | 92.5 | Very high | 40 Ų | 40 | 53.5 Ų | 53.5 | 18% | 0.175 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 137 | 169.6 | -63 | -96.8 | 0 | 0 | 0 | 110.2 | R84 L85 V87 T90 P132 F135 L139 | R84-F92 WeakPolarHBondContact CA-O 3.38Å; L85-F92 HydrophobicContact CB-CB 4.4Å; L85-F92 PolarHBondContact N-O 2.74Å; L85-F92 PolarHBondContact O-N 2.93Å; V87-F92 HydrophobicContact CB-CD2 4.09Å; V87-F92 HydrophobicContact CB-CE2 3.87Å; V87-F92 HydrophobicContact CG2-CD2 3.73Å; V87-F92 HydrophobicContact CG2-CE2 3.98Å; T90-F92 HydrophobicContact CG2-CD2 4.4Å; T90-F92 HydrophobicContact CG2-CE2 3.77Å; T90-F92 HydrophobicContact CG2-CZ 4.06Å; T90-F92 WeakPolarHBondContact O-CD2 3.29Å; F92-P132 HydrophobicContact CE2-CB 3.89Å; F92-P132 HydrophobicContact CZ-CB 4.06Å; F92-F135 HydrophobicContact CB-CD1 4.41Å; F92-F135 HydrophobicContact CB-CE1 4.2Å; F92-F135 AromaticContact CD1-CD1 3.88Å; F92-F135 HydrophobicContact CD1-CD1 3.88Å; F92-F135 HydrophobicContact CD1-CE1 4.41Å; F92-F135 AromaticContact CD2-CD1 3.65Å; F92-F135 HydrophobicContact CD2-CD1 3.65Å; F92-F135 HydrophobicContact CD2-CE1 4.15Å; F92-F135 HydrophobicContact CE1-CD1 4Å; F92-F135 HydrophobicContact CE2-CB 4.21Å; F92-F135 AromaticContact CE2-CD1 3.8Å; F92-F135 HydrophobicContact CE2-CD1 3.8Å; F92-F135 HydrophobicContact CE2-CG 4.36Å; F92-F135 AromaticContact CG-CD1 3.7Å; F92-F135 HydrophobicContact CG-CD1 3.7Å; F92-F135 AromaticContact CG-CE1 3.99Å; F92-F135 HydrophobicContact CG-CE1 3.99Å; F92-F135 HydrophobicContact CZ-CB 4.05Å; F92-F135 AromaticContact CZ-CD1 3.97Å; F92-F135 HydrophobicContact CZ-CD1 3.97Å; F92-F135 HydrophobicContact CZ-CG 4.48Å; F92-L139 HydrophobicContact CB-CD2 4.16Å; F92-L139 HydrophobicContact CD1-CD2 4.14Å |
| 93 | L | 94.8 | Very high | 92.1 | Very high | 89 Ų | 89 | 53.9 Ų | 53.9 | 47% | 0.466 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 128.4 | 173.8 | -172.8 | 67.1 | 0 | 0 | 0 | 110 | W82 R84 R143 | W82-L93 HydrophobicContact CB-CD1 4.26Å; W82-L93 HydrophobicContact CE3-CD1 4.2Å; W82-L93 HydrophobicContact CE3-CD2 4.19Å; W82-L93 HydrophobicContact CE3-CG 3.85Å; W82-L93 HydrophobicContact CZ3-CD2 4.47Å; W82-L93 HydrophobicContact CZ3-CG 4.29Å; R84-L93 HydrophobicContact CG-CD1 3.63Å; L93-R143 PolarHBondContact O-NH2 2.99Å |
| 94 | T | 94.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | -173 | -178.9 | -165.2 | 0 | 0 | 0 | 0 | 111 | W82 V83 L85 T98 L99 L139 | W82-T94 CarbonylContact C-O 3.53Å; W82-T94 WeakPolarHBondContact CA-O 3.42Å; W82-T94 VanDerWaalsContact CE3-O 3.26Å; V83-T94 HydrophobicContact CB-CG2 4.23Å; V83-T94 PolarHBondContact N-O 2.62Å; V83-T94 PolarHBondContact O-N 2.98Å; L85-T94 HydrophobicContact CD1-CG2 4.13Å; T94-T98 WeakPolarHBondContact OG1-CB 3.45Å; T94-L99 HydrophobicContact CG2-CD1 4Å; T94-L99 HydrophobicContact CG2-CD2 3.75Å; T94-L99 HydrophobicContact CG2-CG 3.88Å; T94-L139 HydrophobicContact CG2-CD1 4.17Å |
| 95 | T | 93.4 | Very high | 91.2 | Very high | 30 Ų | 30 | 54.3 Ų | 54.3 | 18% | 0.184 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 153.5 | 178 | 60.7 | 0 | 0 | 0 | 0 | 112.4 | K81 W82 Q97 T98 L99 | K81-T95 CarbonylContact O-C 3.51Å; K81-T95 WeakPolarHBondContact O-CA 3.47Å; K81-T95 VanDerWaalsContact O-CB 3.29Å; K81-T95 WeakPolarHBondContact O-CB 3.43Å; W82-T95 HydrophobicContact CD2-CG2 4.4Å; W82-T95 HydrophobicContact CE3-CG2 3.83Å; W82-T95 HydrophobicContact CH2-CG2 4.36Å; W82-T95 HydrophobicContact CZ3-CG2 3.8Å; T95-Q97 PolarHBondContact O-N 3.34Å; T95-T98 WeakPolarHBondContact O-CB 3.42Å; T95-T98 PolarHBondContact O-N 3.03Å; T95-T98 PolarHBondContact OG1-N 2.91Å; T95-T98 PolarHBondContact OG1-OG1 2.94Å; T95-L99 PolarHBondContact O-N 3.46Å |
| 96 | R | 90.2 | Very high | 90.7 | Very high | 66 Ų | 66 | 56 Ų | 56 | 25% | 0.249 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -51.3 | -43.8 | 171 | -70.1 | -166.2 | 173.6 | -99.5 | -7.1 | 111.2 | G80 K81 V83 T98 L99 L100 C111 | G80-R96 WeakPolarHBondContact O-CD 3.21Å; G80-R96 WeakPolarHBondContact O-CG 3.42Å; G80-R96 PolarHBondContact O-NE 2.99Å; K81-R96 PolarHBondContact O-N 2.94Å; V83-R96 HydrophobicContact CG2-CB 4.31Å; V83-R96 HydrophobicContact CG2-CG 3.44Å; V83-R96 VanDerWaalsContact CG2-CG 3.44Å; R96-T98 VanDerWaalsContact C-N 3.25Å; R96-T98 PolarHBondContact O-N 2.89Å; R96-L99 PolarHBondContact O-N 3.13Å; R96-L99 VanDerWaalsContact O-N 3.13Å; R96-L100 HydrophobicContact CB-CD1 4.45Å; R96-L100 WeakPolarHBondContact O-CB 3.33Å; R96-L100 WeakPolarHBondContact O-CG 3.21Å; R96-L100 PolarHBondContact O-N 2.99Å; R96-C111 PolarHBondContact NH1-O 3.12Å; R96-C111 PolarHBondContact NH1-SG 2.97Å |
| 97 | Q | 90.9 | Very high | 90.4 | Very high | 153 Ų | 153 | 55.2 Ų | 55.2 | 72% | 0.715 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -56 | -38.2 | 177.8 | -176 | 178.8 | 3.8 | 0 | 0 | 113.2 | T95 | T95-Q97 PolarHBondContact O-N 3.34Å |
| 98 | T | 92.4 | Very high | 90.1 | Very high | 16 Ų | 16 | 57.9 Ų | 57.9 | 10% | 0.098 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.9 | -43.6 | 178.8 | -60.3 | 0 | 0 | 0 | 0 | 111.1 | T94 T95 R96 L100 K101 L139 L142 R143 | T94-T98 WeakPolarHBondContact OG1-CB 3.45Å; T95-T98 WeakPolarHBondContact O-CB 3.42Å; T95-T98 PolarHBondContact O-N 3.03Å; T95-T98 PolarHBondContact OG1-N 2.91Å; T95-T98 PolarHBondContact OG1-OG1 2.94Å; R96-T98 VanDerWaalsContact C-N 3.25Å; R96-T98 PolarHBondContact O-N 2.89Å; T98-L100 VanDerWaalsContact C-N 3.29Å; T98-L100 PolarHBondContact O-N 3.25Å; T98-K101 PolarHBondContact O-N 2.92Å; T98-L139 HydrophobicContact CG2-CD1 4.2Å; T98-L142 HydrophobicContact CG2-CB 3.71Å; T98-R143 HydrophobicContact CG2-CG 3.74Å |
| 99 | L | 90.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.9 | -28.9 | -179.6 | -56.4 | -178.4 | 0 | 0 | 0 | 112.4 | V83 L85 T94 T95 R96 K101 L107 Y108 C111 L139 | V83-L99 HydrophobicContact CB-CD1 4.04Å; V83-L99 HydrophobicContact CG1-CD1 3.71Å; V83-L99 HydrophobicContact CG2-CD1 4.25Å; L85-L99 HydrophobicContact CD1-CD1 4.36Å; L85-L99 HydrophobicContact CD1-CD2 4.03Å; L85-L99 HydrophobicContact CD2-CD1 4.34Å; T94-L99 HydrophobicContact CG2-CD1 4Å; T94-L99 HydrophobicContact CG2-CD2 3.75Å; T94-L99 HydrophobicContact CG2-CG 3.88Å; T95-L99 PolarHBondContact O-N 3.46Å; R96-L99 PolarHBondContact O-N 3.13Å; R96-L99 VanDerWaalsContact O-N 3.13Å; L99-K101 VanDerWaalsContact C-N 3.29Å; L99-K101 PolarHBondContact O-N 3.27Å; L99-L107 HydrophobicContact CB-CB 4.27Å; L99-L107 HydrophobicContact CD2-CB 4.02Å; L99-L107 HydrophobicContact CD2-CD1 4.01Å; L99-L107 HydrophobicContact CD2-CD2 4.45Å; L99-L107 HydrophobicContact CD2-CG 4.38Å; L99-Y108 PolarHBondContact O-N 3.22Å; L99-C111 HydrophobicContact CB-CB 4.17Å; L99-C111 HydrophobicContact CD1-CB 4.37Å; L99-L139 HydrophobicContact CD2-CD1 4.15Å |
| 100 | L | 89.7 | Confident | 89.3 | Confident | 51 Ų | 51 | 57.3 Ų | 57.3 | 27% | 0.267 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -1.8 | -178.6 | -66.7 | 174.3 | 0 | 0 | 0 | 114.5 | R96 T98 Y108 C111 Q112 | R96-L100 HydrophobicContact CB-CD1 4.45Å; R96-L100 WeakPolarHBondContact O-CB 3.33Å; R96-L100 WeakPolarHBondContact O-CG 3.21Å; R96-L100 PolarHBondContact O-N 2.99Å; T98-L100 VanDerWaalsContact C-N 3.29Å; T98-L100 PolarHBondContact O-N 3.25Å; L100-Y108 HydrophobicContact CB-CD2 4.18Å; L100-Y108 HydrophobicContact CB-CE2 4.31Å; L100-Y108 HydrophobicContact CD2-CD2 3.57Å; L100-Y108 HydrophobicContact CD2-CE2 3.66Å; L100-Y108 HydrophobicContact CD2-CG 4.23Å; L100-Y108 HydrophobicContact CG-CD2 4.48Å; L100-Y108 WeakPolarHBondContact O-CD2 3.5Å; L100-C111 HydrophobicContact CD2-CB 4.06Å; L100-C111 HydrophobicContact CG-CB 4.5Å; L100-Q112 HydrophobicContact CD2-CG 3.63Å; L100-Q112 VanDerWaalsContact CD2-OE1 3.31Å |
| 101 | K | 88.5 | Confident | 88.6 | Confident | 107 Ų | 107 | 54.3 Ų | 54.3 | 47% | 0.465 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -37.7 | -178 | -89.5 | 177 | 171.7 | -169 | 0 | 113.8 | T98 L99 L142 R143 | T98-K101 PolarHBondContact O-N 2.92Å; L99-K101 VanDerWaalsContact C-N 3.29Å; L99-K101 PolarHBondContact O-N 3.27Å; K101-L142 HydrophobicContact CB-CD2 4.43Å; K101-L142 WeakPolarHBondContact CD-O 3.29Å; K101-L142 WeakPolarHBondContact CE-O 3.22Å; K101-L142 PolarHBondContact NZ-O 2.89Å; K101-R143 PolarHBondContact NZ-O 2.7Å |
| 102 | E | 86.8 | Confident | 87.8 | Confident | 66 Ų | 66 | 56 Ų | 56 | 31% | 0.308 | 27% | 0.266 | S | S | . | . | trans | -109.1 | 96.9 | -177.7 | -177.2 | 53.9 | -124.1 | 0 | 0 | 109.8 | T104 S105 Y108 L142 | E102-T104 PolarHBondContact O-N 3.27Å; E102-T104 VanDerWaalsContact O-N 3.13Å; E102-T104 PolarHBondContact OE1-OG1 3.07Å; E102-S105 VanDerWaalsContact O-CB 3.32Å; E102-S105 WeakPolarHBondContact O-CB 3.36Å; E102-S105 PolarHBondContact O-N 2.97Å; E102-S105 PolarHBondContact O-OG 3.32Å; E102-Y108 WeakPolarHBondContact O-CB 3.45Å; E102-L142 HydrophobicContact CB-CD2 3.93Å | ||
| 103 | Q | 84.1 | Confident | 86.4 | Confident | 141 Ų | 141 | 58.5 Ų | 58.5 | 66% | 0.659 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -20.6 | -170.8 | -63.4 | 175.6 | 45.1 | 0 | 0 | 113.9 | Y108 | Q103-Y108 HydrophobicContact CB-CD2 4.25Å; Q103-Y108 HydrophobicContact CB-CE1 4.48Å; Q103-Y108 HydrophobicContact CB-CE2 4.15Å; Q103-Y108 HydrophobicContact CG-CD2 4.12Å; Q103-Y108 HydrophobicContact CG-CE2 3.71Å; Q103-Y108 VanDerWaalsContact O-CD1 3.29Å; Q103-Y108 WeakPolarHBondContact O-CD1 3.32Å |
| 104 | T | 80.7 | Confident | 84.7 | Confident | 95 Ų | 95 | 61.5 Ų | 61.5 | 58% | 0.583 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -8.1 | 178.1 | 67.6 | 0 | 0 | 0 | 0 | 113.3 | E102 | E102-T104 PolarHBondContact O-N 3.27Å; E102-T104 VanDerWaalsContact O-N 3.13Å; E102-T104 PolarHBondContact OE1-OG1 3.07Å |
| 105 | S | 83.5 | Confident | 82.6 | Confident | 13 Ų | 13 | 68.6 Ų | 68.6 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -78.6 | 157.4 | -174.7 | 71.8 | 0 | 0 | 0 | 0 | 113.4 | E102 L107 Y108 R109 | E102-S105 VanDerWaalsContact O-CB 3.32Å; E102-S105 WeakPolarHBondContact O-CB 3.36Å; E102-S105 PolarHBondContact O-N 2.97Å; E102-S105 PolarHBondContact O-OG 3.32Å; S105-L107 PolarHBondContact O-N 3.1Å; S105-L107 PolarHBondContact OG-N 3.26Å; S105-Y108 WeakPolarHBondContact O-CB 3.2Å; S105-Y108 PolarHBondContact O-N 3.17Å; S105-Y108 PolarHBondContact OG-N 3.05Å; S105-R109 PolarHBondContact O-N 2.96Å |
| 106 | F | 84.9 | Confident | 80.7 | Confident | 34 Ų | 34 | 70.1 Ų | 70.1 | 15% | 0.149 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -45.5 | -51.8 | 163.9 | -178.1 | -143 | 0 | 0 | 0 | 113.7 | Y108 R109 L110 I128 L168 | F106-Y108 PolarHBondContact O-N 3.43Å; F106-R109 CarbonylContact O-C 3.53Å; F106-R109 WeakPolarHBondContact O-CA 3.4Å; F106-R109 WeakPolarHBondContact O-CB 3.13Å; F106-R109 PolarHBondContact O-N 2.78Å; F106-L110 HydrophobicContact CE1-CD1 4.09Å; F106-L110 HydrophobicContact CE2-CB 4.38Å; F106-L110 HydrophobicContact CE2-CD1 4.12Å; F106-L110 HydrophobicContact CZ-CB 4.45Å; F106-L110 HydrophobicContact CZ-CD1 3.6Å; F106-L110 PolarHBondContact O-N 3.01Å; F106-I128 HydrophobicContact CE1-CD1 3.97Å; F106-I128 HydrophobicContact CE1-CG1 4.08Å; F106-I128 HydrophobicContact CE1-CG2 4.32Å; F106-L168 VanDerWaalsContact CA-O 3.29Å; F106-L168 WeakPolarHBondContact CA-O 3.15Å; F106-L168 HydrophobicContact CB-CB 3.53Å; F106-L168 WeakPolarHBondContact CB-O 3.34Å; F106-L168 HydrophobicContact CD1-CB 3.79Å; F106-L168 WeakPolarHBondContact CD1-OXT 3.36Å; F106-L168 WeakPolarHBondContact CD2-O 3.42Å; F106-L168 WeakPolarHBondContact CD2-OXT 3.49Å; F106-L168 WeakPolarHBondContact CE2-OXT 3.23Å; F106-L168 HydrophobicContact CG-CB 3.8Å; F106-L168 WeakPolarHBondContact CG-O 2.88Å; F106-L168 WeakPolarHBondContact CG-OXT 3.46Å; F106-L168 WeakPolarHBondContact CZ-OXT 3.39Å |
| 107 | L | 88.4 | Confident | 79.1 | Confident | 10 Ų | 10 | 76.1 Ų | 76.1 | 5% | 0.052 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.6 | -30 | -166.4 | -66.3 | 176.3 | 0 | 0 | 0 | 110.2 | L85 L99 S105 C111 I128 F135 L142 | L85-L107 HydrophobicContact CD1-CD2 4.32Å; L99-L107 HydrophobicContact CB-CB 4.27Å; L99-L107 HydrophobicContact CD2-CB 4.02Å; L99-L107 HydrophobicContact CD2-CD1 4.01Å; L99-L107 HydrophobicContact CD2-CD2 4.45Å; L99-L107 HydrophobicContact CD2-CG 4.38Å; S105-L107 PolarHBondContact O-N 3.1Å; S105-L107 PolarHBondContact OG-N 3.26Å; L107-C111 VanDerWaalsContact O-CB 3.22Å; L107-C111 WeakPolarHBondContact O-CB 3.44Å; L107-C111 PolarHBondContact O-N 3.19Å; L107-I128 HydrophobicContact CD2-CD1 4.04Å; L107-F135 HydrophobicContact CD1-CE2 4.17Å; L107-F135 HydrophobicContact CD1-CZ 4.1Å; L107-F135 HydrophobicContact CD2-CE2 4.21Å; L107-F135 HydrophobicContact CD2-CZ 4.14Å; L107-L142 HydrophobicContact CD1-CD1 3.71Å |
| 108 | Y | 87.3 | Confident | 77.9 | Confident | 55 Ų | 55 | 70.2 Ų | 70.2 | 22% | 0.216 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.8 | -51.7 | 167.9 | -177.2 | -89.5 | 0 | 0 | 0 | 111.3 | L99 L100 E102 Q103 S105 F106 C111 Q112 | L99-Y108 PolarHBondContact O-N 3.22Å; L100-Y108 HydrophobicContact CB-CD2 4.18Å; L100-Y108 HydrophobicContact CB-CE2 4.31Å; L100-Y108 HydrophobicContact CD2-CD2 3.57Å; L100-Y108 HydrophobicContact CD2-CE2 3.66Å; L100-Y108 HydrophobicContact CD2-CG 4.23Å; L100-Y108 HydrophobicContact CG-CD2 4.48Å; L100-Y108 WeakPolarHBondContact O-CD2 3.5Å; E102-Y108 WeakPolarHBondContact O-CB 3.45Å; Q103-Y108 HydrophobicContact CB-CD2 4.25Å; Q103-Y108 HydrophobicContact CB-CE1 4.48Å; Q103-Y108 HydrophobicContact CB-CE2 4.15Å; Q103-Y108 HydrophobicContact CG-CD2 4.12Å; Q103-Y108 HydrophobicContact CG-CE2 3.71Å; Q103-Y108 VanDerWaalsContact O-CD1 3.29Å; Q103-Y108 WeakPolarHBondContact O-CD1 3.32Å; S105-Y108 WeakPolarHBondContact O-CB 3.2Å; S105-Y108 PolarHBondContact O-N 3.17Å; S105-Y108 PolarHBondContact OG-N 3.05Å; F106-Y108 PolarHBondContact O-N 3.43Å; Y108-C111 PolarHBondContact O-N 3.42Å; Y108-Q112 HydrophobicContact CD1-CG 3.92Å; Y108-Q112 HydrophobicContact CE1-CG 3.62Å; Y108-Q112 HydrophobicContact CE2-CG 4.22Å; Y108-Q112 HydrophobicContact CG-CG 4.36Å; Y108-Q112 WeakPolarHBondContact O-CB 3.48Å; Y108-Q112 VanDerWaalsContact O-CG 3.23Å; Y108-Q112 WeakPolarHBondContact O-CG 3.5Å; Y108-Q112 PolarHBondContact O-N 3.43Å |
| 109 | R | 85.5 | Confident | 77.4 | Confident | 99 Ų | 99 | 75.1 Ų | 75.1 | 37% | 0.374 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 179.3 | -60.5 | -177.9 | -63.6 | 179 | 3.6 | 112.1 | S105 F106 C111 Q112 Q113 L116 L168 | S105-R109 PolarHBondContact O-N 2.96Å; F106-R109 CarbonylContact O-C 3.53Å; F106-R109 WeakPolarHBondContact O-CA 3.4Å; F106-R109 WeakPolarHBondContact O-CB 3.13Å; F106-R109 PolarHBondContact O-N 2.78Å; R109-C111 VanDerWaalsContact C-N 3.27Å; R109-C111 PolarHBondContact O-N 3.38Å; R109-Q112 PolarHBondContact O-N 2.89Å; R109-Q113 WeakPolarHBondContact O-CB 3.42Å; R109-Q113 PolarHBondContact O-N 2.84Å; R109-L116 HydrophobicContact CB-CD1 4.06Å; R109-L168 PolarHBondContact NH2-O 2.83Å |
| 110 | L | 83.6 | Confident | 77.3 | Confident | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.005 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -55.4 | -41.7 | 174.8 | -174 | 100.5 | 0 | 0 | 0 | 111.5 | L85 F106 Y126 | L85-L110 HydrophobicContact CD2-CD2 3.72Å; F106-L110 HydrophobicContact CE1-CD1 4.09Å; F106-L110 HydrophobicContact CE2-CB 4.38Å; F106-L110 HydrophobicContact CE2-CD1 4.12Å; F106-L110 HydrophobicContact CZ-CB 4.45Å; F106-L110 HydrophobicContact CZ-CD1 3.6Å; F106-L110 PolarHBondContact O-N 3.01Å; L110-Y126 HydrophobicContact CD1-CD1 4.25Å; L110-Y126 HydrophobicContact CD1-CG 4.39Å; L110-Y126 HydrophobicContact CD2-CD1 4.38Å; L110-Y126 HydrophobicContact CD2-CD2 4.06Å; L110-Y126 HydrophobicContact CD2-CG 3.85Å; L110-Y126 HydrophobicContact CG-CD1 4.21Å; L110-Y126 HydrophobicContact CG-CG 4.2Å |
| 111 | C | 80.7 | Confident | 77.3 | Confident | 3 Ų | 3 | 78.2 Ų | 78.2 | 2% | 0.02 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -79.2 | -31.6 | -178.3 | -173.8 | 0 | 0 | 0 | 0 | 113.1 | R96 L99 L100 L107 Y108 R109 | R96-C111 PolarHBondContact NH1-O 3.12Å; R96-C111 PolarHBondContact NH1-SG 2.97Å; L99-C111 HydrophobicContact CB-CB 4.17Å; L99-C111 HydrophobicContact CD1-CB 4.37Å; L100-C111 HydrophobicContact CD2-CB 4.06Å; L100-C111 HydrophobicContact CG-CB 4.5Å; L107-C111 VanDerWaalsContact O-CB 3.22Å; L107-C111 WeakPolarHBondContact O-CB 3.44Å; L107-C111 PolarHBondContact O-N 3.19Å; Y108-C111 PolarHBondContact O-N 3.42Å; R109-C111 VanDerWaalsContact C-N 3.27Å; R109-C111 PolarHBondContact O-N 3.38Å |
| 112 | Q | 78.5 | Confident | 77.4 | Confident | 105 Ų | 105 | 82.7 Ų | 82.7 | 49% | 0.491 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -80.4 | -41.5 | -179 | -72.3 | -67.5 | 88.2 | 0 | 0 | 112.7 | L100 Y108 R109 | L100-Q112 HydrophobicContact CD2-CG 3.63Å; L100-Q112 VanDerWaalsContact CD2-OE1 3.31Å; Y108-Q112 HydrophobicContact CD1-CG 3.92Å; Y108-Q112 HydrophobicContact CE1-CG 3.62Å; Y108-Q112 HydrophobicContact CE2-CG 4.22Å; Y108-Q112 HydrophobicContact CG-CG 4.36Å; Y108-Q112 WeakPolarHBondContact O-CB 3.48Å; Y108-Q112 VanDerWaalsContact O-CG 3.23Å; Y108-Q112 WeakPolarHBondContact O-CG 3.5Å; Y108-Q112 PolarHBondContact O-N 3.43Å; R109-Q112 PolarHBondContact O-N 2.89Å |
| 113 | Q | 65.9 | Low | 77.4 | Confident | 93 Ų | 93 | 82.6 Ų | 82.6 | 44% | 0.435 | 41% | 0.412 | S | S | . | . | trans | -97.8 | 95.4 | 179.7 | -68.6 | 175 | -85.3 | 0 | 0 | 108.4 | R109 D115 L116 | R109-Q113 WeakPolarHBondContact O-CB 3.42Å; R109-Q113 PolarHBondContact O-N 2.84Å; Q113-D115 PolarHBondContact O-N 2.92Å; Q113-L116 HydrophobicContact CB-CB 4.24Å; Q113-L116 HydrophobicContact CB-CD1 3.89Å; Q113-L116 HydrophobicContact CB-CG 3.62Å; Q113-L116 HydrophobicContact CG-CD1 4.43Å; Q113-L116 HydrophobicContact CG-CG 4.27Å; Q113-L116 PolarHBondContact O-N 3.08Å | ||
| 114 | Q | 58.4 | Low | 77.6 | Confident | 151 Ų | 151 | 78.3 Ų | 78.3 | 71% | 0.706 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -9.4 | 162.6 | -71.9 | -167.6 | 14.4 | 0 | 0 | 112.5 | ||
| 115 | D | 51.5 | Low | 78.1 | Confident | 151 Ų | 151 | 73.8 Ų | 73.8 | 81% | 0.807 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.9 | 0.5 | -174.2 | -108.8 | -9.8 | 0 | 0 | 0 | 114.7 | Q113 H117 | Q113-D115 PolarHBondContact O-N 2.92Å; D115-H117 PolarHBondContact O-N 2.76Å |
| 116 | L | 53 | Low | 78.5 | Confident | 63 Ų | 63 | 74.8 Ų | 74.8 | 33% | 0.33 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -66.4 | 130.1 | 158.7 | -75.2 | 170 | 0 | 0 | 0 | 105.1 | R109 Q113 S118 | R109-L116 HydrophobicContact CB-CD1 4.06Å; Q113-L116 HydrophobicContact CB-CB 4.24Å; Q113-L116 HydrophobicContact CB-CD1 3.89Å; Q113-L116 HydrophobicContact CB-CG 3.62Å; Q113-L116 HydrophobicContact CG-CD1 4.43Å; Q113-L116 HydrophobicContact CG-CG 4.27Å; Q113-L116 PolarHBondContact O-N 3.08Å; L116-S118 WeakPolarHBondContact O-CB 3.45Å; L116-S118 PolarHBondContact O-N 2.98Å; L116-S118 PolarHBondContact O-OG 3.41Å |
| 117 | H | 55.8 | Low | 78.8 | Confident | 192 Ų | 192 | 75.9 Ų | 75.9 | 89% | 0.889 | 39% | 0.389 | S | S | * | . | trans | -55.6 | 59.8 | 172.7 | -54.4 | 93.9 | 0 | 0 | 0 | 111.6 | D115 D119 | D115-H117 PolarHBondContact O-N 2.76Å; H117-D119 PolarHBondContact O-N 3.29Å | ||
| 118 | S | 66.6 | Low | 78.9 | Confident | 28 Ų | 28 | 75.8 Ų | 75.8 | 20% | 0.196 | 39% | 0.389 | C | S | . | . | trans | -88.8 | 108.3 | -176.7 | -51.9 | 0 | 0 | 0 | 0 | 103.1 | L116 T120 | L116-S118 WeakPolarHBondContact O-CB 3.45Å; L116-S118 PolarHBondContact O-N 2.98Å; L116-S118 PolarHBondContact O-OG 3.41Å; S118-T120 PolarHBondContact O-N 3.09Å | ||
| 119 | D | 81.9 | Confident | 79 | Confident | 120 Ų | 120 | 80.5 Ų | 80.5 | 64% | 0.642 | 42% | 0.418 | S | S | * | . | trans | -55.1 | 133.3 | 177.3 | -65 | -40.8 | 0 | 0 | 0 | 108.3 | H117 V127 | H117-D119 PolarHBondContact O-N 3.29Å; D119-V127 HydrophobicContact CB-CB 4.14Å; D119-V127 HydrophobicContact CB-CG2 4.44Å; D119-V127 WeakPolarHBondContact O-CB 3.38Å; D119-V127 PolarHBondContact O-N 3.21Å | ||
| 120 | T | 88.9 | Confident | 79.2 | Confident | 82 Ų | 82 | 81.7 Ų | 81.7 | 50% | 0.503 | 42% | 0.422 | S | S | . | . | B | Isolated β-bridge | trans | -113.9 | 141.1 | 170.1 | 53 | 0 | 0 | 0 | 0 | 108.1 | S118 A125 Y126 | S118-T120 PolarHBondContact O-N 3.09Å; T120-A125 WeakPolarHBondContact CA-O 3.35Å; T120-Y126 HydrophobicContact CG2-CD1 3.98Å; T120-Y126 HydrophobicContact CG2-CE1 4.3Å |
| 121 | D | 89.2 | Confident | 79.4 | Confident | 34 Ų | 34 | 85.5 Ų | 85.5 | 18% | 0.182 | 44% | 0.442 | C | S | . | . | trans | -74.6 | 174.6 | 174 | 66 | 24.4 | 0 | 0 | 0 | 111.4 | N86 T123 G124 A125 V127 | N86-D121 PolarHBondContact ND2-OD2 3.49Å; D121-T123 PolarHBondContact O-N 2.76Å; D121-T123 VanDerWaalsContact OD1-CA 3.29Å; D121-T123 WeakPolarHBondContact OD1-CA 3.49Å; D121-T123 WeakPolarHBondContact OD1-CB 3.2Å; D121-T123 PolarHBondContact OD1-N 3.43Å; D121-T123 PolarHBondContact OD1-OG1 3.43Å; D121-G124 PolarHBondContact O-N 3.46Å; D121-G124 PolarHBondContact OD1-N 2.79Å; D121-G124 VanDerWaalsContact OD1-N 3.12Å; D121-A125 PolarHBondContact N-O 3.29Å; D121-A125 PolarHBondContact OD1-N 2.77Å; D121-V127 HydrophobicContact CB-CG2 4.1Å | ||
| 122 | E | 89.6 | Confident | 79.9 | Confident | 200 Ų | 200 | 86.7 Ų | 86.7 | 94% | 0.935 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -16.5 | 176.9 | 63 | -176.1 | -176.1 | 0 | 0 | 114 | ||
| 123 | T | 88.1 | Confident | 80.4 | Confident | 65 Ų | 65 | 85.5 Ų | 85.5 | 40% | 0.399 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -0.4 | 179.9 | 85 | 0 | 0 | 0 | 0 | 113.1 | R84 D121 | R84-T123 VanDerWaalsContact NH1-CB 3.28Å; R84-T123 PolarHBondContact NH1-O 2.76Å; R84-T123 PolarHBondContact NH1-OG1 2.93Å; R84-T123 PolarHBondContact NH2-OG1 3.32Å; D121-T123 PolarHBondContact O-N 2.76Å; D121-T123 VanDerWaalsContact OD1-CA 3.29Å; D121-T123 WeakPolarHBondContact OD1-CA 3.49Å; D121-T123 WeakPolarHBondContact OD1-CB 3.2Å; D121-T123 PolarHBondContact OD1-N 3.43Å; D121-T123 PolarHBondContact OD1-OG1 3.43Å |
| 124 | G | 87.8 | Confident | 81.3 | Confident | 50 Ų | 50 | 84 Ų | 84 | 52% | 0.515 | 44% | 0.441 | S | S | . | . | S | Bend | trans | 78.5 | 19.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D121 | D121-G124 PolarHBondContact O-N 3.46Å; D121-G124 PolarHBondContact OD1-N 2.79Å; D121-G124 VanDerWaalsContact OD1-N 3.12Å |
| 125 | A | 91.2 | Very high | 82.8 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -86.6 | 138.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | R84 N86 T120 D121 V127 | R84-A125 HydrophobicContact CB-CB 3.6Å; R84-A125 WeakPolarHBondContact O-CA 3.4Å; N86-A125 HydrophobicContact CB-CB 4.09Å; T120-A125 WeakPolarHBondContact CA-O 3.35Å; D121-A125 PolarHBondContact N-O 3.29Å; D121-A125 PolarHBondContact OD1-N 2.77Å; A125-V127 PolarHBondContact O-N 3.42Å |
| 126 | Y | 91.6 | Very high | 84.7 | Confident | 35 Ų | 35 | 71.2 Ų | 71.2 | 14% | 0.137 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 122.5 | 175.2 | -65.3 | -75.7 | 0 | 0 | 0 | 110.4 | V83 R84 L85 N86 L110 T120 | V83-Y126 HydrophobicContact CG1-CD2 3.76Å; V83-Y126 HydrophobicContact CG1-CE2 3.84Å; R84-Y126 PolarHBondContact O-N 3.05Å; L85-Y126 CarbonylContact C-O 3.48Å; L85-Y126 WeakPolarHBondContact CA-O 3.43Å; L85-Y126 HydrophobicContact CD2-CD2 4.05Å; L85-Y126 HydrophobicContact CD2-CG 4.44Å; N86-Y126 PolarHBondContact N-O 3.34Å; L110-Y126 HydrophobicContact CD1-CD1 4.25Å; L110-Y126 HydrophobicContact CD1-CG 4.39Å; L110-Y126 HydrophobicContact CD2-CD1 4.38Å; L110-Y126 HydrophobicContact CD2-CD2 4.06Å; L110-Y126 HydrophobicContact CD2-CG 3.85Å; L110-Y126 HydrophobicContact CG-CD1 4.21Å; L110-Y126 HydrophobicContact CG-CG 4.2Å; T120-Y126 HydrophobicContact CG2-CD1 3.98Å; T120-Y126 HydrophobicContact CG2-CE1 4.3Å |
| 127 | V | 90.9 | Very high | 86.4 | Confident | 56 Ų | 56 | 69.8 Ų | 69.8 | 34% | 0.339 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 132.5 | -178.2 | -176.7 | 0 | 0 | 0 | 0 | 109.9 | N86 D119 D121 A125 | N86-V127 HydrophobicContact CB-CG2 4.43Å; N86-V127 CarbonylContact O-C 3.52Å; N86-V127 WeakPolarHBondContact O-CA 3.32Å; D119-V127 HydrophobicContact CB-CB 4.14Å; D119-V127 HydrophobicContact CB-CG2 4.44Å; D119-V127 WeakPolarHBondContact O-CB 3.38Å; D119-V127 PolarHBondContact O-N 3.21Å; D121-V127 HydrophobicContact CB-CG2 4.1Å; A125-V127 PolarHBondContact O-N 3.42Å |
| 128 | I | 90.4 | Very high | 88 | Confident | 8 Ų | 8 | 62.7 Ų | 62.7 | 4% | 0.041 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 114 | 179 | -55.1 | -179 | 0 | 0 | 0 | 107 | L85 N86 V87 G88 F106 L107 R130 F135 | L85-I128 HydrophobicContact CB-CD1 4.42Å; L85-I128 HydrophobicContact CD2-CD1 4.47Å; N86-I128 PolarHBondContact O-N 2.98Å; V87-I128 WeakPolarHBondContact CA-O 3.37Å; V87-I128 HydrophobicContact CB-CB 4.48Å; V87-I128 HydrophobicContact CG1-CB 4.38Å; V87-I128 HydrophobicContact CG1-CG2 4.36Å; V87-I128 HydrophobicContact CG2-CB 4.14Å; V87-I128 HydrophobicContact CG2-CD1 4.08Å; V87-I128 HydrophobicContact CG2-CG1 4.45Å; G88-I128 PolarHBondContact N-O 3.19Å; F106-I128 HydrophobicContact CE1-CD1 3.97Å; F106-I128 HydrophobicContact CE1-CG1 4.08Å; F106-I128 HydrophobicContact CE1-CG2 4.32Å; L107-I128 HydrophobicContact CD2-CD1 4.04Å; I128-R130 HydrophobicContact CG2-CB 4.05Å; I128-R130 HydrophobicContact CG2-CG 3.84Å; I128-R130 PolarHBondContact O-N 2.82Å; I128-F135 HydrophobicContact CD1-CE2 4.27Å; I128-F135 HydrophobicContact CD1-CZ 4.39Å |
| 129 | D | 90.5 | Very high | 89.2 | Confident | 155 Ų | 155 | 61.5 Ų | 61.5 | 83% | 0.829 | 34% | 0.336 | S | S | * | . | trans | -76.9 | 69.4 | 178.1 | -174.1 | 23.5 | 0 | 0 | 0 | 111.2 | ||||
| 130 | R | 88.1 | Confident | 89.7 | Confident | 124 Ų | 124 | 58.8 Ų | 58.8 | 47% | 0.468 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -144.8 | 160.2 | 178.6 | -66 | -62.9 | 173.6 | 174.1 | 3.7 | 111.4 | V87 G88 I128 P132 L168 | V87-R130 CarbonylContact C-O 3.57Å; V87-R130 HydrophobicContact CG1-CB 4.05Å; V87-R130 WeakPolarHBondContact CG1-O 3.29Å; G88-R130 WeakPolarHBondContact CA-O 3.33Å; G88-R130 PolarHBondContact N-O 2.82Å; G88-R130 VanDerWaalsContact N-O 3.08Å; I128-R130 HydrophobicContact CG2-CB 4.05Å; I128-R130 HydrophobicContact CG2-CG 3.84Å; I128-R130 PolarHBondContact O-N 2.82Å; R130-P132 WeakPolarHBondContact O-CD 3.04Å; R130-L168 HydrophobicContact CG-CD2 3.42Å; R130-L168 VanDerWaalsContact CG-CD2 3.42Å |
| 131 | D | 87.7 | Confident | 89.7 | Confident | 80 Ų | 80 | 59.7 Ų | 59.7 | 43% | 0.428 | 32% | 0.316 | S | S | . | . | trans | -68.5 | 122.4 | 175.3 | -177.4 | -17 | 0 | 0 | 0 | 110.7 | T133 Y134 | D131-T133 PolarHBondContact O-N 3.38Å; D131-T133 WeakPolarHBondContact OD1-CB 3.03Å; D131-T133 PolarHBondContact OD1-N 3.39Å; D131-T133 PolarHBondContact OD1-OG1 2.91Å; D131-Y134 HydrophobicContact CB-CD2 3.97Å; D131-Y134 HydrophobicContact CB-CE2 4.4Å; D131-Y134 PolarHBondContact O-N 3.27Å | ||
| 132 | P | 91.3 | Very high | 89.7 | Confident | 29 Ų | 29 | 58.6 Ų | 58.6 | 19% | 0.188 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -64.2 | -22.2 | 179.8 | 26.1 | -35.4 | 0 | 0 | 0 | 114.1 | V87 T90 F92 R130 Y134 F135 | V87-P132 HydrophobicContact CB-CB 4.44Å; V87-P132 HydrophobicContact CG1-CB 4.47Å; V87-P132 WeakPolarHBondContact O-CB 2.86Å; T90-P132 HydrophobicContact CG2-CB 4.21Å; T90-P132 WeakPolarHBondContact OG1-CG 3.41Å; F92-P132 HydrophobicContact CE2-CB 3.89Å; F92-P132 HydrophobicContact CZ-CB 4.06Å; R130-P132 WeakPolarHBondContact O-CD 3.04Å; P132-Y134 PolarHBondContact O-N 2.91Å; P132-F135 WeakPolarHBondContact O-CB 2.86Å; P132-F135 PolarHBondContact O-N 3.19Å |
| 133 | T | 89.6 | Confident | 89.8 | Confident | 79 Ų | 79 | 54.3 Ų | 54.3 | 49% | 0.485 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -60.4 | -35.1 | -176.9 | -46.2 | 0 | 0 | 0 | 0 | 111.6 | D131 L153 | D131-T133 PolarHBondContact O-N 3.38Å; D131-T133 WeakPolarHBondContact OD1-CB 3.03Å; D131-T133 PolarHBondContact OD1-N 3.39Å; D131-T133 PolarHBondContact OD1-OG1 2.91Å; T133-L153 HydrophobicContact CG2-CD2 3.26Å |
| 134 | Y | 85.3 | Confident | 89.8 | Confident | 63 Ų | 63 | 56 Ų | 56 | 25% | 0.247 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -85.4 | -15.9 | 178 | -63.5 | -72.5 | 0 | 0 | 0 | 113.9 | D131 P132 I138 L153 G157 | D131-Y134 HydrophobicContact CB-CD2 3.97Å; D131-Y134 HydrophobicContact CB-CE2 4.4Å; D131-Y134 PolarHBondContact O-N 3.27Å; P132-Y134 PolarHBondContact O-N 2.91Å; Y134-I138 WeakPolarHBondContact O-CD1 3.4Å; Y134-I138 WeakPolarHBondContact O-CG1 2.93Å; Y134-L153 HydrophobicContact CE1-CB 4.06Å; Y134-L153 HydrophobicContact CE1-CD2 4.06Å; Y134-L153 WeakPolarHBondContact CE1-O 3.35Å; Y134-L153 PolarHBondContact OH-O 2.56Å; Y134-G157 WeakPolarHBondContact OH-CA 3.31Å; Y134-G157 PolarHBondContact OH-N 3.25Å |
| 135 | F | 89.5 | Confident | 89.7 | Confident | 11 Ų | 11 | 56 Ų | 56 | 5% | 0.048 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -78.6 | -33.9 | -171.2 | -165 | -101.5 | 0 | 0 | 0 | 113.2 | L85 V87 F92 L107 I128 P132 I138 L139 | L85-F135 HydrophobicContact CD1-CE1 3.81Å; L85-F135 HydrophobicContact CD1-CZ 3.55Å; V87-F135 HydrophobicContact CB-CG 4.39Å; V87-F135 HydrophobicContact CG1-CB 4.07Å; V87-F135 HydrophobicContact CG1-CD2 4.22Å; V87-F135 HydrophobicContact CG1-CG 4.12Å; V87-F135 HydrophobicContact CG2-CB 4.49Å; V87-F135 HydrophobicContact CG2-CD1 3.76Å; V87-F135 HydrophobicContact CG2-CD2 4.03Å; V87-F135 HydrophobicContact CG2-CE1 3.92Å; V87-F135 HydrophobicContact CG2-CE2 4.18Å; V87-F135 HydrophobicContact CG2-CG 3.82Å; V87-F135 HydrophobicContact CG2-CZ 4.14Å; F92-F135 HydrophobicContact CB-CD1 4.41Å; F92-F135 HydrophobicContact CB-CE1 4.2Å; F92-F135 AromaticContact CD1-CD1 3.88Å; F92-F135 HydrophobicContact CD1-CD1 3.88Å; F92-F135 HydrophobicContact CD1-CE1 4.41Å; F92-F135 AromaticContact CD2-CD1 3.65Å; F92-F135 HydrophobicContact CD2-CD1 3.65Å; F92-F135 HydrophobicContact CD2-CE1 4.15Å; F92-F135 HydrophobicContact CE1-CD1 4Å; F92-F135 HydrophobicContact CE2-CB 4.21Å; F92-F135 AromaticContact CE2-CD1 3.8Å; F92-F135 HydrophobicContact CE2-CD1 3.8Å; F92-F135 HydrophobicContact CE2-CG 4.36Å; F92-F135 AromaticContact CG-CD1 3.7Å; F92-F135 HydrophobicContact CG-CD1 3.7Å; F92-F135 AromaticContact CG-CE1 3.99Å; F92-F135 HydrophobicContact CG-CE1 3.99Å; F92-F135 HydrophobicContact CZ-CB 4.05Å; F92-F135 AromaticContact CZ-CD1 3.97Å; F92-F135 HydrophobicContact CZ-CD1 3.97Å; F92-F135 HydrophobicContact CZ-CG 4.48Å; L107-F135 HydrophobicContact CD1-CE2 4.17Å; L107-F135 HydrophobicContact CD1-CZ 4.1Å; L107-F135 HydrophobicContact CD2-CE2 4.21Å; L107-F135 HydrophobicContact CD2-CZ 4.14Å; I128-F135 HydrophobicContact CD1-CE2 4.27Å; I128-F135 HydrophobicContact CD1-CZ 4.39Å; P132-F135 WeakPolarHBondContact O-CB 2.86Å; P132-F135 PolarHBondContact O-N 3.19Å; F135-I138 PolarHBondContact O-N 3.06Å; F135-L139 HydrophobicContact CD1-CB 4.49Å; F135-L139 HydrophobicContact CE1-CB 4.27Å; F135-L139 HydrophobicContact CE1-CD1 4.46Å; F135-L139 HydrophobicContact CE1-CD2 4.23Å; F135-L139 PolarHBondContact O-N 3Å |
| 136 | G | 90.7 | Very high | 89.3 | Confident | 21 Ų | 21 | 63.1 Ų | 63.1 | 22% | 0.216 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -54.3 | -54.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | I138 L139 N140 | G136-I138 VanDerWaalsContact C-N 3.33Å; G136-I138 PolarHBondContact O-N 3.37Å; G136-L139 PolarHBondContact O-N 3.4Å; G136-N140 WeakPolarHBondContact O-CB 3.29Å; G136-N140 PolarHBondContact O-N 3.48Å |
| 137 | P | 89.9 | Confident | 88.8 | Confident | 33 Ų | 33 | 66.1 Ų | 66.1 | 21% | 0.214 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57 | -40.1 | 175.6 | -29.3 | 37 | 0 | 0 | 0 | 114.3 | N140 Y141 | P137-N140 PolarHBondContact O-N 3.26Å; P137-Y141 WeakPolarHBondContact O-CB 3.4Å; P137-Y141 PolarHBondContact O-N 3.08Å |
| 138 | I | 89.4 | Confident | 88.1 | Confident | 43 Ų | 43 | 68.4 Ų | 68.4 | 22% | 0.221 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 178.2 | -62.7 | 168.4 | 0 | 0 | 0 | 110.2 | Y134 F135 G136 N140 Y141 L142 L165 | Y134-I138 WeakPolarHBondContact O-CD1 3.4Å; Y134-I138 WeakPolarHBondContact O-CG1 2.93Å; F135-I138 PolarHBondContact O-N 3.06Å; G136-I138 VanDerWaalsContact C-N 3.33Å; G136-I138 PolarHBondContact O-N 3.37Å; I138-N140 VanDerWaalsContact C-N 3.31Å; I138-N140 PolarHBondContact O-N 3.04Å; I138-Y141 WeakPolarHBondContact O-CB 2.8Å; I138-Y141 PolarHBondContact O-N 2.94Å; I138-L142 PolarHBondContact O-N 2.94Å; I138-L142 VanDerWaalsContact O-N 3.09Å; I138-L165 HydrophobicContact CD1-CD2 4.12Å |
| 139 | L | 92 | Very high | 87.5 | Confident | 4 Ų | 4 | 73.9 Ų | 73.9 | 2% | 0.021 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.3 | -37.9 | 179.8 | -169.6 | 63 | 0 | 0 | 0 | 111.9 | F92 T94 T98 L99 F135 G136 L142 R143 | F92-L139 HydrophobicContact CB-CD2 4.16Å; F92-L139 HydrophobicContact CD1-CD2 4.14Å; T94-L139 HydrophobicContact CG2-CD1 4.17Å; T98-L139 HydrophobicContact CG2-CD1 4.2Å; L99-L139 HydrophobicContact CD2-CD1 4.15Å; F135-L139 HydrophobicContact CD1-CB 4.49Å; F135-L139 HydrophobicContact CE1-CB 4.27Å; F135-L139 HydrophobicContact CE1-CD1 4.46Å; F135-L139 HydrophobicContact CE1-CD2 4.23Å; F135-L139 PolarHBondContact O-N 3Å; G136-L139 PolarHBondContact O-N 3.4Å; L139-L142 PolarHBondContact O-N 2.87Å; L139-R143 WeakPolarHBondContact O-CG 3.15Å; L139-R143 PolarHBondContact O-N 3.5Å |
| 140 | N | 90.9 | Very high | 86.7 | Confident | 63 Ų | 63 | 71.8 Ų | 71.8 | 34% | 0.337 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.4 | -43.2 | 175.1 | -81.9 | -13.9 | 0 | 0 | 0 | 111.9 | G136 P137 I138 L142 R143 H144 | G136-N140 WeakPolarHBondContact O-CB 3.29Å; G136-N140 PolarHBondContact O-N 3.48Å; P137-N140 PolarHBondContact O-N 3.26Å; I138-N140 VanDerWaalsContact C-N 3.31Å; I138-N140 PolarHBondContact O-N 3.04Å; N140-L142 VanDerWaalsContact C-N 3.27Å; N140-L142 PolarHBondContact O-N 3.29Å; N140-R143 PolarHBondContact O-N 3.38Å; N140-H144 VanDerWaalsContact C-CE1 3.46Å; N140-H144 VanDerWaalsContact CB-NE2 3.32Å; N140-H144 WeakPolarHBondContact CB-NE2 3.39Å; N140-H144 PolarHBondContact O-CD2 3.29Å; N140-H144 PolarHBondContact O-CE1 3.06Å; N140-H144 VanDerWaalsContact O-CG 3.31Å; N140-H144 PolarHBondContact O-N 2.89Å; N140-H144 PolarHBondContact O-ND1 3.22Å; N140-H144 PolarHBondContact O-NE2 3.5Å |
| 141 | Y | 90.2 | Very high | 85.6 | Confident | 101 Ų | 101 | 73.2 Ų | 73.2 | 40% | 0.396 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -53.5 | -46.1 | 171 | 170.2 | -103 | 0 | 0 | 0 | 111.4 | P137 I138 R143 G145 L147 | P137-Y141 WeakPolarHBondContact O-CB 3.4Å; P137-Y141 PolarHBondContact O-N 3.08Å; I138-Y141 WeakPolarHBondContact O-CB 2.8Å; I138-Y141 PolarHBondContact O-N 2.94Å; Y141-R143 VanDerWaalsContact C-N 3.34Å; Y141-R143 PolarHBondContact O-N 3.33Å; Y141-G145 WeakPolarHBondContact O-CA 3.42Å; Y141-G145 PolarHBondContact O-N 3.25Å; Y141-L147 HydrophobicContact CD2-CB 3.85Å; Y141-L147 HydrophobicContact CG-CB 4.43Å; Y141-L147 HydrophobicContact CG-CD1 4.41Å |
| 142 | L | 89.6 | Confident | 84.3 | Confident | 11 Ų | 11 | 77.4 Ų | 77.4 | 6% | 0.058 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.8 | -36.5 | 175.2 | -65.3 | 177.2 | 0 | 0 | 0 | 112.3 | T98 K101 E102 L107 I138 L139 N140 | T98-L142 HydrophobicContact CG2-CB 3.71Å; K101-L142 HydrophobicContact CB-CD2 4.43Å; K101-L142 WeakPolarHBondContact CD-O 3.29Å; K101-L142 WeakPolarHBondContact CE-O 3.22Å; K101-L142 PolarHBondContact NZ-O 2.89Å; E102-L142 HydrophobicContact CB-CD2 3.93Å; L107-L142 HydrophobicContact CD1-CD1 3.71Å; I138-L142 PolarHBondContact O-N 2.94Å; I138-L142 VanDerWaalsContact O-N 3.09Å; L139-L142 PolarHBondContact O-N 2.87Å; N140-L142 VanDerWaalsContact C-N 3.27Å; N140-L142 PolarHBondContact O-N 3.29Å |
| 143 | R | 91.2 | Very high | 82.8 | Confident | 109 Ų | 109 | 78.8 Ų | 78.8 | 41% | 0.411 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.5 | -51.6 | -179.7 | -74.9 | 174.3 | 175.4 | 174.3 | -3.1 | 113.3 | L93 T98 K101 L139 N140 Y141 | L93-R143 PolarHBondContact O-NH2 2.99Å; T98-R143 HydrophobicContact CG2-CG 3.74Å; K101-R143 PolarHBondContact NZ-O 2.7Å; L139-R143 WeakPolarHBondContact O-CG 3.15Å; L139-R143 PolarHBondContact O-N 3.5Å; N140-R143 PolarHBondContact O-N 3.38Å; Y141-R143 VanDerWaalsContact C-N 3.34Å; Y141-R143 PolarHBondContact O-N 3.33Å |
| 144 | H | 88.8 | Confident | 81.2 | Confident | 101 Ų | 101 | 75.8 Ų | 75.8 | 47% | 0.468 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -118.8 | -1.5 | -169.4 | 44.8 | 74.9 | 0 | 0 | 0 | 114.9 | N140 K146 | N140-H144 VanDerWaalsContact C-CE1 3.46Å; N140-H144 VanDerWaalsContact CB-NE2 3.32Å; N140-H144 WeakPolarHBondContact CB-NE2 3.39Å; N140-H144 PolarHBondContact O-CD2 3.29Å; N140-H144 PolarHBondContact O-CE1 3.06Å; N140-H144 VanDerWaalsContact O-CG 3.31Å; N140-H144 PolarHBondContact O-N 2.89Å; N140-H144 PolarHBondContact O-ND1 3.22Å; N140-H144 PolarHBondContact O-NE2 3.5Å; H144-K146 VanDerWaalsContact C-N 3.25Å; H144-K146 PolarHBondContact CE1-O 2.82Å; H144-K146 PolarHBondContact ND1-N 3.13Å; H144-K146 PolarHBondContact ND1-O 2.67Å; H144-K146 PolarHBondContact O-N 2.75Å |
| 145 | G | 84.6 | Confident | 79.7 | Confident | 51 Ų | 51 | 79.9 Ų | 79.9 | 53% | 0.526 | 40% | 0.399 | S | S | . | . | S | Bend | trans | 73.5 | 14 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y141 | Y141-G145 WeakPolarHBondContact O-CA 3.42Å; Y141-G145 PolarHBondContact O-N 3.25Å |
| 146 | K | 83.9 | Confident | 78.1 | Confident | 148 Ų | 148 | 87.4 Ų | 87.4 | 64% | 0.643 | 43% | 0.434 | S | S | * | . | trans | -120.3 | 120.7 | 177.8 | -62.1 | -176.2 | -180 | 179.9 | 0 | 109.2 | H144 V148 | H144-K146 VanDerWaalsContact C-N 3.25Å; H144-K146 PolarHBondContact CE1-O 2.82Å; H144-K146 PolarHBondContact ND1-N 3.13Å; H144-K146 PolarHBondContact ND1-O 2.67Å; H144-K146 PolarHBondContact O-N 2.75Å; K146-V148 PolarHBondContact O-N 3.26Å | ||
| 147 | L | 80.5 | Confident | 76.2 | Confident | 99 Ų | 99 | 87.8 Ų | 87.8 | 52% | 0.518 | 44% | 0.438 | S | S | . | . | trans | -85.3 | 113.2 | 177 | -175.2 | 64.5 | 0 | 0 | 0 | 108.5 | Y141 Y149 | Y141-L147 HydrophobicContact CD2-CB 3.85Å; Y141-L147 HydrophobicContact CG-CB 4.43Å; Y141-L147 HydrophobicContact CG-CD1 4.41Å; L147-Y149 HydrophobicContact CD1-CD1 4.35Å; L147-Y149 HydrophobicContact CD2-CD1 3.97Å; L147-Y149 HydrophobicContact CD2-CE1 3.8Å; L147-Y149 HydrophobicContact CG-CD1 3.78Å; L147-Y149 HydrophobicContact CG-CE1 4.1Å | ||
| 148 | V | 76.1 | Confident | 74.3 | Confident | 104 Ų | 104 | 90.9 Ų | 90.9 | 63% | 0.63 | 45% | 0.452 | S | S | * | . | trans | -121.3 | 109.8 | 175.8 | -177.7 | 0 | 0 | 0 | 0 | 107.1 | K146 | K146-V148 PolarHBondContact O-N 3.26Š| ||
| 149 | Y | 77.1 | Confident | 72.2 | Confident | 123 Ų | 123 | 94.5 Ų | 94.5 | 48% | 0.482 | 48% | 0.481 | S | S | . | . | trans | -139.5 | 151.1 | 175.3 | 68.8 | -79.5 | 0 | 0 | 0 | 109.4 | L147 A154 | L147-Y149 HydrophobicContact CD1-CD1 4.35Å; L147-Y149 HydrophobicContact CD2-CD1 3.97Å; L147-Y149 HydrophobicContact CD2-CE1 3.8Å; L147-Y149 HydrophobicContact CG-CD1 3.78Å; L147-Y149 HydrophobicContact CG-CE1 4.1Å; Y149-A154 HydrophobicContact CD2-CB 3.76Å; Y149-A154 HydrophobicContact CE2-CB 3.41Å; Y149-A154 VanDerWaalsContact CE2-CB 3.41Å | ||
| 150 | N | 73.8 | Confident | 70.1 | Confident | 111 Ų | 111 | 96.9 Ų | 96.9 | 59% | 0.594 | 50% | 0.498 | S | S | * | . | trans | -77.1 | 130 | 173.7 | -64.1 | -17.6 | 0 | 0 | 0 | 108.5 | E152 L153 | N150-E152 PolarHBondContact O-N 3.41Å; N150-L153 HydrophobicContact CB-CD1 3.77Å; N150-L153 WeakPolarHBondContact O-CB 3.47Å; N150-L153 PolarHBondContact O-N 3.11Å; N150-L153 VanDerWaalsContact O-N 3.11Å | ||
| 151 | K | 64.8 | Low | 67.9 | Low | 154 Ų | 154 | 97.2 Ų | 97.2 | 67% | 0.67 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.2 | -34.1 | -176.9 | -169.1 | 179.9 | 175.2 | -166.7 | 0 | 112.8 | L153 A154 | K151-L153 VanDerWaalsContact C-N 3.31Å; K151-L153 PolarHBondContact O-N 3.21Å; K151-A154 PolarHBondContact O-N 2.75Å |
| 152 | E | 61.7 | Low | 65.7 | Low | 168 Ų | 168 | 99.8 Ų | 99.8 | 79% | 0.785 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.9 | -34.1 | 178.9 | -63.2 | 178.2 | 177.8 | 0 | 0 | 112.9 | N150 | N150-E152 PolarHBondContact O-N 3.41Å |
| 153 | L | 58.8 | Low | 63.9 | Low | 57 Ų | 57 | 108 Ų | 108 | 30% | 0.298 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67.3 | -41.5 | 175.7 | -89.3 | 132.2 | 0 | 0 | 0 | 111.5 | T133 Y134 N150 K151 E155 E156 G157 | T133-L153 HydrophobicContact CG2-CD2 3.26Å; Y134-L153 HydrophobicContact CE1-CB 4.06Å; Y134-L153 HydrophobicContact CE1-CD2 4.06Å; Y134-L153 WeakPolarHBondContact CE1-O 3.35Å; Y134-L153 PolarHBondContact OH-O 2.56Å; N150-L153 HydrophobicContact CB-CD1 3.77Å; N150-L153 WeakPolarHBondContact O-CB 3.47Å; N150-L153 PolarHBondContact O-N 3.11Å; N150-L153 VanDerWaalsContact O-N 3.11Å; K151-L153 VanDerWaalsContact C-N 3.31Å; K151-L153 PolarHBondContact O-N 3.21Å; L153-E155 VanDerWaalsContact C-N 3.26Å; L153-E155 PolarHBondContact O-N 3.23Å; L153-E156 PolarHBondContact O-N 3.02Å; L153-G157 PolarHBondContact O-N 2.93Å |
| 154 | A | 56.7 | Low | 62.1 | Low | 16 Ų | 16 | 106 Ų | 106 | 13% | 0.132 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -64.2 | -27.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y149 K151 E156 L158 | Y149-A154 HydrophobicContact CD2-CB 3.76Å; Y149-A154 HydrophobicContact CE2-CB 3.41Å; Y149-A154 VanDerWaalsContact CE2-CB 3.41Å; K151-A154 PolarHBondContact O-N 2.75Å; A154-E156 VanDerWaalsContact C-N 3.33Å; A154-L158 HydrophobicContact CB-CD1 4.14Å; A154-L158 VanDerWaalsContact O-CB 3.31Å; A154-L158 WeakPolarHBondContact O-CB 3.08Å; A154-L158 WeakPolarHBondContact O-CD1 3.44Å; A154-L158 WeakPolarHBondContact O-CG 3.35Å |
| 155 | E | 54.3 | Low | 60.4 | Low | 150 Ų | 150 | 105 Ų | 105 | 70% | 0.701 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -74.5 | -24.9 | 179.7 | -67.6 | -179.5 | -171.8 | 0 | 0 | 112.4 | L153 | L153-E155 VanDerWaalsContact C-N 3.26Å; L153-E155 PolarHBondContact O-N 3.23Å |
| 156 | E | 54.7 | Low | 58.8 | Low | 168 Ų | 168 | 106.5 Ų | 106.5 | 79% | 0.785 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -90.1 | -25.3 | 177.7 | -65.8 | -173.1 | 166.8 | 0 | 0 | 113.6 | L153 A154 | L153-E156 PolarHBondContact O-N 3.02Å; A154-E156 VanDerWaalsContact C-N 3.33Å |
| 157 | G | 51.8 | Low | 57.3 | Low | 29 Ų | 29 | 107.9 Ų | 107.9 | 30% | 0.299 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -92.4 | -7.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y134 L153 | Y134-G157 WeakPolarHBondContact OH-CA 3.31Å; Y134-G157 PolarHBondContact OH-N 3.25Å; L153-G157 PolarHBondContact O-N 2.93Å |
| 158 | L | 49 | Very low | 56.1 | Low | 98 Ų | 98 | 105.6 Ų | 105.6 | 51% | 0.513 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 40.3 | -170.8 | -66.6 | 176.4 | 0 | 0 | 0 | 113.7 | A154 L165 | A154-L158 HydrophobicContact CB-CD1 4.14Å; A154-L158 VanDerWaalsContact O-CB 3.31Å; A154-L158 WeakPolarHBondContact O-CB 3.08Å; A154-L158 WeakPolarHBondContact O-CD1 3.44Å; A154-L158 WeakPolarHBondContact O-CG 3.35Å; L158-L165 HydrophobicContact CD2-CD1 3.44Å; L158-L165 VanDerWaalsContact CD2-CD1 3.44Å |
| 159 | S | 46.8 | Very low | 55.1 | Low | 119 Ų | 119 | 105.7 Ų | 105.7 | 83% | 0.832 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -13.7 | 158.6 | 179.8 | 0 | 0 | 0 | 0 | 112.1 | ||
| 160 | C | 46.3 | Very low | 53.9 | Low | 55 Ų | 55 | 104.8 Ų | 104.8 | 37% | 0.372 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -98.8 | 129.8 | 174.6 | -62.5 | 0 | 0 | 0 | 0 | 109.1 | D164 | C160-D164 HydrophobicContact CB-CB 3.71Š|
| 161 | S | 45.2 | Very low | 52.8 | Low | 70 Ų | 70 | 104.4 Ų | 104.4 | 49% | 0.49 | 52% | 0.524 | S | S | . | . | trans | -53.9 | 156.9 | -173.7 | -179.9 | 0 | 0 | 0 | 0 | 112.2 | R163 D164 L165 | S161-R163 PolarHBondContact O-N 3.26Å; S161-R163 PolarHBondContact OG-N 3.4Å; S161-D164 WeakPolarHBondContact CB-OD2 3.46Å; S161-D164 PolarHBondContact N-OD2 2.95Å; S161-D164 WeakPolarHBondContact O-CA 3.03Å; S161-D164 WeakPolarHBondContact O-CB 3.15Å; S161-D164 PolarHBondContact O-N 3.2Å; S161-L165 PolarHBondContact O-N 3.47Å | ||
| 162 | H | 45 | Very low | 52.1 | Low | 155 Ų | 155 | 101.5 Ų | 101.5 | 72% | 0.718 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -24.9 | 169.5 | -174.5 | 76.4 | 0 | 0 | 0 | 112.7 | ||
| 163 | R | 50.4 | Low | 51.5 | Low | 182 Ų | 182 | 97.4 Ų | 97.4 | 69% | 0.687 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -21.8 | 172.2 | -75.6 | -166.5 | 66.5 | -174.8 | 0.3 | 114.9 | S161 | S161-R163 PolarHBondContact O-N 3.26Å; S161-R163 PolarHBondContact OG-N 3.4Å |
| 164 | D | 53.2 | Low | 51 | Low | 68 Ų | 68 | 100.1 Ų | 100.1 | 36% | 0.364 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -30 | 179.8 | -62.4 | -34.4 | 0 | 0 | 0 | 111.8 | C160 S161 L166 R167 L168 | C160-D164 HydrophobicContact CB-CB 3.71Å; S161-D164 WeakPolarHBondContact CB-OD2 3.46Å; S161-D164 PolarHBondContact N-OD2 2.95Å; S161-D164 WeakPolarHBondContact O-CA 3.03Å; S161-D164 WeakPolarHBondContact O-CB 3.15Å; S161-D164 PolarHBondContact O-N 3.2Å; D164-L166 PolarHBondContact O-N 2.73Å; D164-R167 PolarHBondContact O-N 3.24Å; D164-R167 VanDerWaalsContact O-N 3.15Å; D164-L168 PolarHBondContact O-N 3.15Å |
| 165 | L | 54.2 | Low | 50.6 | Low | 79 Ų | 79 | 106.1 Ų | 106.1 | 41% | 0.414 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -63.9 | -26 | 176.9 | -126.3 | 136.2 | 0 | 0 | 0 | 113.1 | I138 L158 S161 | I138-L165 HydrophobicContact CD1-CD2 4.12Å; L158-L165 HydrophobicContact CD2-CD1 3.44Å; L158-L165 VanDerWaalsContact CD2-CD1 3.44Å; S161-L165 PolarHBondContact O-N 3.47Å |
| 166 | L | 50.8 | Low | 50.3 | Low | 83 Ų | 83 | 102.7 Ų | 102.7 | 44% | 0.435 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -97.5 | -14.8 | 176.4 | -74.9 | 162.3 | 0 | 0 | 0 | 113.4 | D164 | D164-L166 PolarHBondContact O-N 2.73Š|
| 167 | R | 53 | Low | 50 | Low | 178 Ų | 178 | 97.3 Ų | 97.3 | 67% | 0.672 | 51% | 0.505 | S | S | * | . | trans | -97.9 | 9.4 | 177.7 | -119.7 | -166 | -164.3 | 179.1 | 2.6 | 114 | D164 | D164-R167 PolarHBondContact O-N 3.24Å; D164-R167 VanDerWaalsContact O-N 3.15Å | ||
| 168 | L | 54 | Low | 49.8 | Very low | 51 Ų | 51 | 103.5 Ų | 103.5 | 27% | 0.267 | 52% | 0.524 | S | S | . | . | trans | -38.8 | 0 | 158 | -76.9 | 167.3 | 0 | 0 | 0 | 109.7 | F106 R109 R130 D164 | F106-L168 VanDerWaalsContact CA-O 3.29Å; F106-L168 WeakPolarHBondContact CA-O 3.15Å; F106-L168 HydrophobicContact CB-CB 3.53Å; F106-L168 WeakPolarHBondContact CB-O 3.34Å; F106-L168 HydrophobicContact CD1-CB 3.79Å; F106-L168 WeakPolarHBondContact CD1-OXT 3.36Å; F106-L168 WeakPolarHBondContact CD2-O 3.42Å; F106-L168 WeakPolarHBondContact CD2-OXT 3.49Å; F106-L168 WeakPolarHBondContact CE2-OXT 3.23Å; F106-L168 HydrophobicContact CG-CB 3.8Å; F106-L168 WeakPolarHBondContact CG-O 2.88Å; F106-L168 WeakPolarHBondContact CG-OXT 3.46Å; F106-L168 WeakPolarHBondContact CZ-OXT 3.39Å; R109-L168 PolarHBondContact NH2-O 2.83Å; R130-L168 HydrophobicContact CG-CD2 3.42Å; R130-L168 VanDerWaalsContact CG-CD2 3.42Å; D164-L168 PolarHBondContact O-N 3.15Å |
Retrieved 168 of 168 residues in 277.6 ms
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