| 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 | 40.1 | Very low | 48.3 | Very low | 244 Ų | 244 | 171.5 Ų | 171.5 | 100% | 1.202 | 86% | 0.864 | S | S | * | * | 0 | 134.1 | 0 | -68.2 | 179.3 | 175.7 | 0 | 0 | 107.5 | |||||
| 2 | M | 44.2 | Very low | 48.2 | Very low | 194 Ų | 194 | 164.6 Ų | 164.6 | 96% | 0.956 | 85% | 0.853 | S | S | * | * | trans | -67.1 | 149.1 | -162.9 | -73.9 | 93.2 | 155.2 | 0 | 0 | 115.8 | ||||
| 3 | S | 44 | Very low | 47.9 | Very low | 125 Ų | 125 | 159.9 Ų | 159.9 | 87% | 0.874 | 84% | 0.843 | S | S | * | * | trans | -58.8 | 157 | 159.8 | -52.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 4 | G | 45.5 | Very low | 48 | Very low | 79 Ų | 79 | 160.9 Ų | 160.9 | 81% | 0.814 | 85% | 0.846 | S | S | * | * | trans | 124.7 | 85.9 | 142.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 5 | Q | 49.2 | Very low | 47.7 | Very low | 148 Ų | 148 | 159.7 Ų | 159.7 | 69% | 0.692 | 84% | 0.84 | S | S | * | * | trans | -80 | 119.1 | 166.8 | -76.5 | -76.1 | -5.9 | 0 | 0 | 110.8 | ||||
| 6 | I | 50.9 | Low | 47.5 | Very low | 126 Ų | 126 | 156.7 Ų | 156.7 | 65% | 0.646 | 83% | 0.83 | S | S | * | * | 30.7 | 113.8 | 129.8 | -48.6 | 176.7 | 0 | 0 | 0 | 118 | |||||
| 7 | Y | 53.9 | Low | 47 | Very low | 213 Ų | 213 | 155.9 Ų | 155.9 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | trans | -146.4 | 110.3 | 143.8 | -57.7 | -75.5 | 0 | 0 | 0 | 110.7 | ||||
| 8 | E | 46.8 | Very low | 46.8 | Very low | 192 Ų | 192 | 155.9 Ų | 155.9 | 90% | 0.897 | 83% | 0.826 | S | S | * | * | trans | -73 | 141.8 | 164.2 | -79.5 | -165 | 102.8 | 0 | 0 | 111.1 | ||||
| 9 | K | 58.4 | Low | 47 | Very low | 199 Ų | 199 | 153.9 Ų | 153.9 | 87% | 0.865 | 82% | 0.823 | S | S | * | * | trans | -132.7 | 93.7 | 166.9 | -71.7 | 179.9 | -178.4 | 174.8 | 0 | 110.9 | ||||
| 10 | K | 47.5 | Very low | 46.5 | Very low | 205 Ų | 205 | 150.1 Ų | 150.1 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | trans | 16.1 | 130.7 | 139.7 | -142.3 | 175.2 | -174.1 | -176.4 | 0 | 119.8 | ||||
| 11 | I | 50.3 | Low | 46.4 | Very low | 161 Ų | 161 | 148.7 Ų | 148.7 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | trans | -66.3 | 140 | 168.6 | -61.6 | 174.2 | 0 | 0 | 0 | 112.8 | ||||
| 12 | A | 47.6 | Very low | 46.8 | Very low | 89 Ų | 89 | 145.3 Ų | 145.3 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | trans | -161.4 | 111.6 | 145.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 13 | S | 44.4 | Very low | 46.7 | Very low | 104 Ų | 104 | 140.7 Ų | 140.7 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | 57.4 | 84.5 | 73.4 | -175.4 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 14 | I | 49.7 | Very low | 46.8 | Very low | 173 Ų | 173 | 140.1 Ų | 140.1 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | trans | -137 | 137.9 | 153.4 | -42.5 | 178.3 | 0 | 0 | 0 | 108 | ||||
| 15 | L | 43.7 | Very low | 46.8 | Very low | 143 Ų | 143 | 144.6 Ų | 144.6 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | trans | -101.3 | 158.6 | -154.3 | -128.1 | 153.4 | 0 | 0 | 0 | 110.5 | ||||
| 16 | T | 43.8 | Very low | 47.1 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 69% | 0.687 | 79% | 0.789 | S | S | * | * | trans | 74.7 | 119.3 | 151.3 | -27.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 17 | D | 39.3 | Very low | 46.6 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | -168.9 | 136.3 | 72.9 | -163.3 | -104.2 | 0 | 0 | 0 | 111.7 | |||||
| 18 | L | 43.6 | Very low | 46.1 | Very low | 156 Ų | 156 | 136.8 Ų | 136.8 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | trans | -118.5 | 148.4 | 159.2 | -90.7 | 164.2 | 0 | 0 | 0 | 103.9 | ||||
| 19 | P | 50.1 | Low | 46 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | -159.3 | 175.5 | 58.6 | 38.6 | -15.6 | 0 | 0 | 0 | 117.3 | |||||
| 20 | G | 36.4 | Very low | 45.3 | Very low | 77 Ų | 77 | 133.7 Ų | 133.7 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | 119.8 | 133.1 | 161.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 21 | S | 44.1 | Very low | 45 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | cis | -156.6 | 149.7 | 13.5 | 177.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 22 | M | 50.3 | Low | 45.2 | Very low | 173 Ų | 173 | 127.4 Ų | 127.4 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | trans | -57.3 | 142.3 | 163.4 | -56.9 | -98.2 | 68.5 | 0 | 0 | 110.3 | ||||
| 23 | S | 41.6 | Very low | 45.1 | Very low | 97 Ų | 97 | 128.7 Ų | 128.7 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | trans | -165.1 | 125.4 | 134.8 | -157.1 | 0 | 0 | 0 | 0 | 111.9 | H25 | S23-H25 PolarHBondContact OG-CD2 2.95Š| ||
| 24 | C | 46.3 | Very low | 45.4 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | -89.2 | 131.4 | 167.9 | 42.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 25 | H | 45.6 | Very low | 45.8 | Very low | 173 Ų | 173 | 127.2 Ų | 127.2 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | trans | -146.1 | 119.6 | 160.9 | -80.2 | -83.2 | 0 | 0 | 0 | 111.4 | S23 | S23-H25 PolarHBondContact OG-CD2 2.95Š| ||
| 26 | P | 54 | Low | 45.9 | Very low | 113 Ų | 113 | 128 Ų | 128 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | trans | -99.2 | 131.4 | 155.1 | 34 | -23.5 | 0 | 0 | 0 | 109.8 | ||||
| 27 | S | 40.5 | Very low | 46.2 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | trans | 175.9 | 113 | 160.2 | -81.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 28 | S | 44.5 | Very low | 46.9 | Very low | 101 Ų | 101 | 126.2 Ų | 126.2 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | 75.2 | 132.3 | 73.5 | -64.1 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 29 | K | 43.6 | Very low | 47.1 | Very low | 182 Ų | 182 | 125.8 Ų | 125.8 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | 89.7 | 128 | 163.5 | -45.4 | 156.2 | -163.4 | -173.9 | 0 | 112.9 | ||||
| 30 | D | 43.7 | Very low | 47.3 | Very low | 145 Ų | 145 | 126.6 Ų | 126.6 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | cis | -154 | 125.7 | 32.2 | -74.5 | -82.8 | 0 | 0 | 0 | 109.3 | ||||
| 31 | S | 42.3 | Very low | 47.7 | Very low | 109 Ų | 109 | 129 Ų | 129 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | 63.9 | 150.2 | 101.3 | -107.6 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 32 | P | 53.4 | Low | 47.6 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | cis | -135.9 | 173.8 | 11.8 | 38.2 | -17.3 | 0 | 0 | 0 | 116.9 | ||||
| 33 | T | 47.2 | Very low | 47.7 | Very low | 116 Ų | 116 | 124.3 Ų | 124.3 | 71% | 0.712 | 75% | 0.747 | S | S | * | * | trans | -98.9 | 139 | -165.2 | -50.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 34 | L | 50.2 | Low | 47.6 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 68% | 0.681 | 75% | 0.752 | S | S | * | * | trans | 47.4 | 164.7 | 147.5 | -66.7 | 168.7 | 0 | 0 | 0 | 121 | E36 | L34-E36 HydrophobicContact CD1-CB 4.4Š| ||
| 35 | P | 57.1 | Low | 47.3 | Very low | 116 Ų | 116 | 134 Ų | 134 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | -131 | 123.1 | 89.2 | 31.5 | -17.8 | 0 | 0 | 0 | 113.3 | S37 | P35-S37 PolarHBondContact O-N 2.94Š| |||
| 36 | E | 46.4 | Very low | 46.7 | Very low | 160 Ų | 160 | 130.9 Ų | 130.9 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | -65.8 | 115.8 | 152.5 | -172.9 | 164.8 | 126.2 | 0 | 0 | 106.5 | L34 S38 | L34-E36 HydrophobicContact CD1-CB 4.4Å; E36-S38 PolarHBondContact O-N 2.97Å | ||
| 37 | S | 50.5 | Low | 45.7 | Very low | 118 Ų | 118 | 128.9 Ų | 128.9 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | -87.2 | 106.5 | 177.2 | -59.8 | 0 | 0 | 0 | 0 | 108.7 | P35 | P35-S37 PolarHBondContact O-N 2.94Š| ||
| 38 | S | 53.8 | Low | 45.9 | Very low | 100 Ų | 100 | 132.8 Ų | 132.8 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | trans | -127.4 | 113.5 | 166.3 | -164.4 | 0 | 0 | 0 | 0 | 107.1 | E36 | E36-S38 PolarHBondContact O-N 2.97Š| ||
| 39 | V | 47.5 | Very low | 45.4 | Very low | 146 Ų | 146 | 135.1 Ų | 135.1 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | trans | -154.8 | 116.5 | 150 | -73.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 40 | T | 55.1 | Low | 45.2 | Very low | 136 Ų | 136 | 130.3 Ų | 130.3 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | trans | -63.9 | 145.8 | 147.8 | -54.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 41 | D | 44.8 | Very low | 44.9 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 68% | 0.679 | 77% | 0.768 | S | S | * | * | trans | 129 | 114.5 | 145.2 | -166 | -135.9 | 0 | 0 | 0 | 115.5 | ||||
| 42 | M | 41.1 | Very low | 44.5 | Very low | 134 Ų | 134 | 132.4 Ų | 132.4 | 66% | 0.66 | 77% | 0.769 | S | S | * | * | 157.5 | 104.2 | 123.6 | -91 | -87.1 | 71.1 | 0 | 0 | 109 | Y44 | M42-Y44 HydrophobicContact CE-CD2 4.41Å; M42-Y44 HydrophobicContact CE-CE2 4.25Å; M42-Y44 HydrophobicContact SD-CD2 4.35Å; M42-Y44 HydrophobicContact SD-CE2 4.31Å | |||
| 43 | G | 51.4 | Low | 43.6 | Very low | 61 Ų | 61 | 134.1 Ų | 134.1 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | trans | -74.9 | 154.6 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 44 | Y | 40.1 | Very low | 43 | Very low | 200 Ų | 200 | 135.1 Ų | 135.1 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | trans | -168.3 | 134 | 155 | -107.1 | -75.5 | 0 | 0 | 0 | 110.7 | M42 | M42-Y44 HydrophobicContact CE-CD2 4.41Å; M42-Y44 HydrophobicContact CE-CE2 4.25Å; M42-Y44 HydrophobicContact SD-CD2 4.35Å; M42-Y44 HydrophobicContact SD-CE2 4.31Å | ||
| 45 | Y | 39.5 | Very low | 42.2 | Very low | 215 Ų | 215 | 136.5 Ų | 136.5 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | 75.6 | 131 | 174.6 | -73.1 | -86.7 | 0 | 0 | 0 | 117.4 | ||||
| 46 | S | 34.7 | Very low | 41.3 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | cis | -170.4 | 132.2 | 7.5 | -171.4 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 47 | G | 32.4 | Very low | 40.7 | Very low | 71 Ų | 71 | 141.5 Ų | 141.5 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | 111.9 | 115.5 | 105.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 48 | Q | 43.6 | Very low | 40.3 | Very low | 190 Ų | 190 | 144.1 Ų | 144.1 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | trans | -64 | 145.4 | 175.2 | -60.9 | 167.9 | 23.8 | 0 | 0 | 111.9 | ||||
| 49 | T | 35.5 | Very low | 39.3 | Very low | 151 Ų | 151 | 144.8 Ų | 144.8 | 93% | 0.926 | 77% | 0.769 | S | S | * | * | trans | -169.8 | 149.5 | 133.2 | 35.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 50 | A | 39.4 | Very low | 38.7 | Very low | 81 Ų | 81 | 145.7 Ų | 145.7 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | trans | -84.2 | 163.7 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 51 | H | 36.9 | Very low | 37.7 | Very low | 186 Ų | 186 | 145.1 Ų | 145.1 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | trans | 58.6 | 122.3 | 148.6 | -67.5 | -52.7 | 0 | 0 | 0 | 122.3 | ||||
| 52 | S | 34.3 | Very low | 37.1 | Very low | 112 Ų | 112 | 149.6 Ų | 149.6 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | trans | 93.9 | 141.2 | 132.5 | -142.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 53 | H | 34.5 | Very low | 37 | Very low | 160 Ų | 160 | 146.2 Ų | 146.2 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | trans | 94.2 | 105.3 | 160.5 | -106.4 | -108.3 | 0 | 0 | 0 | 121.4 | ||||
| 54 | H | 34.4 | Very low | 36.5 | Very low | 136 Ų | 136 | 151 Ų | 151 | 63% | 0.63 | 77% | 0.774 | S | S | * | * | 57.8 | 122.9 | 128.1 | -94.6 | -73.5 | 0 | 0 | 0 | 122.7 | |||||
| 55 | E | 33.7 | Very low | 36.7 | Very low | 159 Ų | 159 | 149.2 Ų | 149.2 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | trans | 44.1 | 119.1 | 136.3 | -73.4 | -177.4 | 117.6 | 0 | 0 | 119.9 | ||||
| 56 | Y | 37.7 | Very low | 36.6 | Very low | 192 Ų | 192 | 148 Ų | 148 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | 157.2 | 99.9 | 106 | -159.7 | -101.6 | 0 | 0 | 0 | 109.5 | |||||
| 57 | Y | 34.4 | Very low | 36.6 | Very low | 189 Ų | 189 | 149.7 Ų | 149.7 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | 172.3 | 103.2 | 133.1 | -108.5 | -81.6 | 0 | 0 | 0 | 111.4 | ||||
| 58 | Q | 40.3 | Very low | 36.8 | Very low | 173 Ų | 173 | 150.9 Ų | 150.9 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | trans | 8.4 | 109.3 | 139.4 | -162.1 | 170.2 | 36.6 | 0 | 0 | 118 | ||||
| 59 | S | 33.5 | Very low | 36.4 | Very low | 115 Ų | 115 | 151 Ų | 151 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -144.1 | 120 | 151.2 | -155 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 60 | Q | 34.5 | Very low | 36.4 | Very low | 165 Ų | 165 | 151.3 Ų | 151.3 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | trans | -74 | 120.1 | 179.5 | -77.6 | -82.2 | 15.5 | 0 | 0 | 110.1 | ||||
| 61 | T | 34.9 | Very low | 36.2 | Very low | 124 Ų | 124 | 154.7 Ų | 154.7 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | trans | -104.7 | 108.5 | 169.2 | 137.9 | 0 | 0 | 0 | 0 | 108.4 | G63 | T61-G63 PolarHBondContact O-N 3.03Š| ||
| 62 | Y | 32.6 | Very low | 36.2 | Very low | 221 Ų | 221 | 153.7 Ų | 153.7 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | trans | -75.9 | 95.7 | 164.9 | -97.3 | -94 | 0 | 0 | 0 | 109.1 | ||||
| 63 | G | 38.8 | Very low | 36.3 | Very low | 62 Ų | 62 | 158.2 Ų | 158.2 | 64% | 0.639 | 77% | 0.768 | S | S | * | * | trans | -113.8 | 100.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | T61 | T61-G63 PolarHBondContact O-N 3.03Š| ||
| 64 | Q | 40.3 | Very low | 36.3 | Very low | 163 Ų | 163 | 158 Ų | 158 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | -108.9 | 141.7 | 171.9 | -90.6 | -76 | 81.9 | 0 | 0 | 111.3 | ||||
| 65 | Q | 43.8 | Very low | 36.6 | Very low | 162 Ų | 162 | 159 Ų | 159 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | trans | -64.6 | 144 | -161.6 | -63.9 | 169.8 | -11.7 | 0 | 0 | 115.2 | N67 | Q65-N67 PolarHBondContact O-N 2.88Š| ||
| 66 | M | 38.5 | Very low | 36.8 | Very low | 190 Ų | 190 | 159 Ų | 159 | 94% | 0.936 | 79% | 0.787 | S | S | * | * | trans | -75.8 | 111.9 | 166.4 | -66.7 | -71 | 173.5 | 0 | 0 | 109.6 | A68 | M66-A68 PolarHBondContact O-N 3.48Š| ||
| 67 | N | 34.2 | Very low | 36.6 | Very low | 142 Ų | 142 | 153.9 Ų | 153.9 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | -75.1 | 106.3 | 170.8 | -90 | -51.4 | 0 | 0 | 0 | 110.5 | Q65 | Q65-N67 PolarHBondContact O-N 2.88Š| ||
| 68 | A | 36 | Very low | 37 | Very low | 95 Ų | 95 | 154.4 Ų | 154.4 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -87 | 109.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | M66 H70 | M66-A68 PolarHBondContact O-N 3.48Å; A68-H70 PolarHBondContact O-N 2.84Å; A68-H70 VanDerWaalsContact O-N 3.12Å | ||
| 69 | Y | 36 | Very low | 36.8 | Very low | 193 Ų | 193 | 150.2 Ų | 150.2 | 76% | 0.757 | 81% | 0.807 | S | S | * | * | trans | -72.1 | 101.3 | 170.7 | -84.9 | -84.8 | 0 | 0 | 0 | 109.9 | ||||
| 70 | H | 35.9 | Very low | 36.8 | Very low | 158 Ų | 158 | 148.6 Ų | 148.6 | 73% | 0.731 | 81% | 0.809 | S | S | * | * | trans | -95.6 | 104.9 | 169.7 | -148.7 | 80.8 | 0 | 0 | 0 | 108.2 | A68 | A68-H70 PolarHBondContact O-N 2.84Å; A68-H70 VanDerWaalsContact O-N 3.12Å | ||
| 71 | H | 34.2 | Very low | 36.9 | Very low | 151 Ų | 151 | 146.1 Ų | 146.1 | 70% | 0.699 | 82% | 0.816 | S | S | * | * | trans | -90.4 | 100.1 | 173.8 | -63.5 | -74.6 | 0 | 0 | 0 | 109.3 | ||||
| 72 | Q | 37.9 | Very low | 37 | Very low | 165 Ų | 165 | 143.4 Ų | 143.4 | 77% | 0.771 | 81% | 0.813 | S | S | * | * | trans | -85.7 | 121.4 | 170.6 | -64.3 | -170 | -43.9 | 0 | 0 | 109.8 | ||||
| 73 | F | 36.9 | Very low | 37.1 | Very low | 208 Ų | 208 | 139.5 Ų | 139.5 | 91% | 0.912 | 81% | 0.812 | S | S | * | * | trans | -77 | 121.1 | 168.5 | -83 | -95.1 | 0 | 0 | 0 | 109 | ||||
| 74 | N | 33.9 | Very low | 37.1 | Very low | 155 Ų | 155 | 147.5 Ų | 147.5 | 83% | 0.829 | 82% | 0.824 | S | S | * | * | trans | -107.9 | 112.5 | 167.6 | -167.2 | -0.2 | 0 | 0 | 0 | 109 | ||||
| 75 | L | 40.9 | Very low | 37.4 | Very low | 158 Ų | 158 | 145.7 Ų | 145.7 | 83% | 0.827 | 83% | 0.827 | S | S | * | * | trans | -117.5 | 103 | 172.5 | -166.2 | 79 | 0 | 0 | 0 | 106 | ||||
| 76 | N | 38.4 | Very low | 37.4 | Very low | 159 Ų | 159 | 144 Ų | 144 | 85% | 0.85 | 83% | 0.828 | S | S | * | * | trans | -179.8 | 125.3 | 150.6 | -100.9 | 12.4 | 0 | 0 | 0 | 111.1 | ||||
| 77 | G | 33.5 | Very low | 37.6 | Very low | 84 Ų | 84 | 143.9 Ų | 143.9 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | trans | 176.5 | 69 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 78 | M | 42.8 | Very low | 37.9 | Very low | 199 Ų | 199 | 142.3 Ų | 142.3 | 98% | 0.98 | 82% | 0.822 | S | S | * | * | trans | -98.6 | 132.8 | 162.2 | -98.9 | 169.7 | 64.5 | 0 | 0 | 109.3 | ||||
| 79 | G | 35.9 | Very low | 38.1 | Very low | 86 Ų | 86 | 146.9 Ų | 146.9 | 89% | 0.887 | 83% | 0.827 | S | S | * | * | trans | 123.1 | 110.6 | 152.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 80 | G | 32.5 | Very low | 38.2 | Very low | 81 Ų | 81 | 147.8 Ų | 147.8 | 84% | 0.835 | 83% | 0.831 | S | S | * | * | trans | 165.2 | 84 | 166 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 81 | A | 37.2 | Very low | 38.9 | Very low | 112 Ų | 112 | 145.6 Ų | 145.6 | 93% | 0.926 | 83% | 0.831 | S | S | * | * | trans | -70.3 | 140.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 82 | G | 37.5 | Very low | 39.1 | Very low | 67 Ų | 67 | 148.9 Ų | 148.9 | 69% | 0.691 | 84% | 0.838 | S | S | * | * | trans | 141 | 109.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 83 | V | 34.8 | Very low | 39.4 | Very low | 140 Ų | 140 | 146.1 Ų | 146.1 | 85% | 0.848 | 83% | 0.833 | S | S | * | * | trans | 75.1 | 91.2 | 148.3 | -153.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 84 | Y | 38.1 | Very low | 39.7 | Very low | 229 Ų | 229 | 144.4 Ų | 144.4 | 90% | 0.898 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 132.7 | 158.2 | -68 | -82.5 | 0 | 0 | 0 | 110.2 | ||
| 85 | P | 46.2 | Very low | 40.1 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 135.8 | 160.7 | 31.6 | -28.2 | 0 | 0 | 0 | 110 | ||
| 86 | T | 44 | Very low | 40.3 | Very low | 127 Ų | 127 | 142.2 Ų | 142.2 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 156.5 | -178.6 | -176.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 87 | K | 43.8 | Very low | 40.5 | Very low | 186 Ų | 186 | 147 Ų | 147 | 81% | 0.809 | 83% | 0.825 | S | S | * | * | trans | 76.5 | 114.3 | 167 | -65 | -169.8 | 175.4 | -178.8 | 0 | 118.1 | ||||
| 88 | S | 38.8 | Very low | 40.9 | Very low | 109 Ų | 109 | 150.4 Ų | 150.4 | 76% | 0.762 | 82% | 0.819 | S | S | * | * | -172.7 | 115.6 | 95.9 | 22.3 | 0 | 0 | 0 | 0 | 111 | |||||
| 89 | E | 41 | Very low | 40.6 | Very low | 191 Ų | 191 | 151.7 Ų | 151.7 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | trans | -80.1 | 121.8 | 167 | -172.3 | 162.5 | 177.7 | 0 | 0 | 107.6 | ||||
| 90 | Y | 38.6 | Very low | 40.6 | Very low | 213 Ų | 213 | 149.7 Ų | 149.7 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | -135.1 | 129.3 | 166.1 | -98.9 | -79.9 | 0 | 0 | 0 | 110.1 | ||||
| 91 | P | 50 | Low | 41 | Very low | 112 Ų | 112 | 154.3 Ų | 154.3 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -84.7 | 115 | 178.6 | 32.5 | -29.2 | 0 | 0 | 0 | 109.4 | T93 | P91-T93 PolarHBondContact O-N 2.96Š| ||
| 92 | Y | 37.8 | Very low | 41.1 | Very low | 220 Ų | 220 | 158.7 Ų | 158.7 | 86% | 0.863 | 79% | 0.787 | S | S | * | * | trans | -90.5 | 106.3 | 169.1 | -159.8 | -98.8 | 0 | 0 | 0 | 109.8 | ||||
| 93 | T | 45.3 | Very low | 41.4 | Very low | 107 Ų | 107 | 163.3 Ų | 163.3 | 66% | 0.656 | 80% | 0.796 | S | S | * | * | trans | -63 | 134.7 | 173.2 | 46.3 | 0 | 0 | 0 | 0 | 110.5 | P91 A95 | P91-T93 PolarHBondContact O-N 2.96Å; T93-A95 PolarHBondContact O-N 2.83Å | ||
| 94 | N | 42.4 | Very low | 41.4 | Very low | 172 Ų | 172 | 167.8 Ų | 167.8 | 92% | 0.92 | 80% | 0.798 | S | S | * | * | trans | -79.1 | 86.4 | -179.2 | -157.8 | -0.6 | 0 | 0 | 0 | 109.3 | ||||
| 95 | A | 43.2 | Very low | 41.8 | Very low | 71 Ų | 71 | 163.3 Ų | 163.3 | 59% | 0.587 | 79% | 0.789 | S | S | * | * | trans | -130.9 | 69.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111 | T93 | T93-A95 PolarHBondContact O-N 2.83Š| ||
| 96 | Y | 45.4 | Very low | 41.8 | Very low | 196 Ų | 196 | 165.5 Ų | 165.5 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -161.9 | 74.7 | 157.4 | -122.4 | -83.5 | 0 | 0 | 0 | 112.3 | ||||
| 97 | R | 41.1 | Very low | 42 | Very low | 258 Ų | 258 | 166.4 Ų | 166.4 | 97% | 0.974 | 79% | 0.788 | S | S | * | * | trans | -148.3 | 61.4 | 143.3 | -81.4 | -136.2 | 177.1 | -156.6 | -0.3 | 109.9 | ||||
| 98 | Q | 41.8 | Very low | 41.9 | Very low | 157 Ų | 157 | 167 Ų | 167 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -98.4 | 98.8 | 159.4 | 177 | 154 | -46.7 | 0 | 0 | 107.4 | ||||
| 99 | Y | 36.7 | Very low | 42.1 | Very low | 225 Ų | 225 | 166.4 Ų | 166.4 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | trans | -157.2 | 116.9 | 158.1 | -102.8 | -77.2 | 0 | 0 | 0 | 108.3 | ||||
| 100 | G | 36.2 | Very low | 42 | Very low | 45 Ų | 45 | 163 Ų | 163 | 46% | 0.464 | 79% | 0.792 | S | S | . | * | trans | 131.8 | 38.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 101 | H | 41.8 | Very low | 42.8 | Very low | 178 Ų | 178 | 158.3 Ų | 158.3 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -83.6 | 102.4 | 157.3 | -76.4 | -79.9 | 0 | 0 | 0 | 108.4 | ||||
| 102 | Y | 38.2 | Very low | 42.2 | Very low | 203 Ų | 203 | 161.6 Ų | 161.6 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | trans | -115.2 | 95.4 | 157 | -2.8 | -90.3 | 0 | 0 | 0 | 107.1 | ||||
| 103 | N | 44.9 | Very low | 42.3 | Very low | 165 Ų | 165 | 156.2 Ų | 156.2 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | trans | -160.8 | 105.3 | 152.8 | -105.8 | -48.6 | 0 | 0 | 0 | 107.5 | ||||
| 104 | R | 35.1 | Very low | 42.1 | Very low | 233 Ų | 233 | 156.5 Ų | 156.5 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | -160.7 | 98.7 | 146.8 | -146.7 | 165.3 | 79.6 | 179.2 | 5.7 | 111.1 | ||||
| 105 | D | 46.1 | Very low | 42.3 | Very low | 135 Ų | 135 | 154.9 Ų | 154.9 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | 46.6 | 117.4 | 142.5 | -59.7 | -74.9 | 0 | 0 | 0 | 120.8 | ||||
| 106 | H | 46.1 | Very low | 42.6 | Very low | 172 Ų | 172 | 160.7 Ų | 160.7 | 80% | 0.796 | 80% | 0.802 | S | S | * | * | -174.8 | 116.2 | 113.8 | -115.1 | -96 | 0 | 0 | 0 | 113.6 | |||||
| 107 | L | 48 | Very low | 42.8 | Very low | 147 Ų | 147 | 159.8 Ų | 159.8 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | 29.7 | 118 | 142.5 | -65.4 | 165.4 | 0 | 0 | 0 | 121.3 | ||||
| 108 | Q | 42.3 | Very low | 43.2 | Very low | 199 Ų | 199 | 154.9 Ų | 154.9 | 93% | 0.93 | 79% | 0.793 | S | S | * | * | trans | -159.6 | 131.6 | 139.9 | -165.6 | 95.7 | -15.6 | 0 | 0 | 109.7 | ||||
| 109 | A | 41.5 | Very low | 44 | Very low | 95 Ų | 95 | 152.7 Ų | 152.7 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -91.3 | 160.4 | -174 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 110 | S | 39.5 | Very low | 44.9 | Very low | 119 Ų | 119 | 150.3 Ų | 150.3 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | 97.2 | 154.4 | 158.7 | -115.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 111 | P | 55.7 | Low | 45.9 | Very low | 115 Ų | 115 | 152.6 Ų | 152.6 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | -129.4 | -179.3 | -106.4 | 32.8 | -10.6 | 0 | 0 | 0 | 115.7 | |||||
| 112 | Q | 37.7 | Very low | 46.7 | Very low | 181 Ų | 181 | 150.2 Ų | 150.2 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | 97.3 | 123.7 | 157 | -78.9 | -157.8 | -41.5 | 0 | 0 | 122.2 | ||||
| 113 | S | 39.8 | Very low | 47.6 | Very low | 107 Ų | 107 | 145.4 Ų | 145.4 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | 66.1 | 100.9 | 140.7 | 65.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 114 | S | 41.5 | Very low | 48.5 | Very low | 114 Ų | 114 | 144.5 Ų | 144.5 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | -179.5 | 107.7 | 99.1 | -166.3 | 0 | 0 | 0 | 0 | 108 | K116 | S114-K116 PolarHBondContact O-N 2.74Š| |||
| 115 | V | 46.8 | Very low | 49.5 | Very low | 138 Ų | 138 | 140.5 Ų | 140.5 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | trans | -68.5 | 97.9 | 172.9 | 177.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 116 | K | 47.8 | Very low | 50.1 | Low | 193 Ų | 193 | 138 Ų | 138 | 84% | 0.839 | 74% | 0.744 | S | S | * | * | trans | -91.1 | 94.4 | 160.3 | -171.4 | 170.3 | -175.6 | 173.9 | 0 | 105.8 | S114 E118 | S114-K116 PolarHBondContact O-N 2.74Å; K116-E118 PolarHBondContact O-N 3.14Å | ||
| 117 | E | 51 | Low | 50.6 | Low | 176 Ų | 176 | 136.3 Ų | 136.3 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | trans | -57.3 | 99.9 | 172.3 | -168.5 | 173.9 | 135.1 | 0 | 0 | 108.5 | ||||
| 118 | E | 49.5 | Very low | 51.4 | Low | 156 Ų | 156 | 132.2 Ų | 132.2 | 73% | 0.729 | 73% | 0.734 | S | S | * | * | trans | -86.1 | 125 | 168.5 | -161 | -135 | 164.8 | 0 | 0 | 106.8 | K116 E120 | K116-E118 PolarHBondContact O-N 3.14Å; E118-E120 PolarHBondContact O-N 2.84Å | ||
| 119 | P | 58.2 | Low | 52.5 | Low | 111 Ų | 111 | 129.6 Ų | 129.6 | 72% | 0.721 | 72% | 0.719 | S | S | * | * | trans | -64.9 | 109.3 | 179.4 | 24.8 | -32.9 | 0 | 0 | 0 | 109.4 | ||||
| 120 | E | 55.9 | Low | 53.5 | Low | 174 Ų | 174 | 130.3 Ų | 130.3 | 81% | 0.813 | 72% | 0.716 | S | S | * | * | trans | -53.3 | 129 | 178.7 | -157.7 | -169.6 | -169.3 | 0 | 0 | 109.6 | E118 E122 | E118-E120 PolarHBondContact O-N 2.84Å; E120-E122 PolarHBondContact O-N 3.1Å | ||
| 121 | P | 56.3 | Low | 55.1 | Low | 94 Ų | 94 | 131.4 Ų | 131.4 | 61% | 0.61 | 71% | 0.706 | S | S | * | * | trans | -69 | 98.6 | 178.9 | 27.6 | -33.4 | 0 | 0 | 0 | 109 | V123 | P121-V123 WeakPolarHBondContact O-CG2 3.19Å; P121-V123 PolarHBondContact O-N 3.12Å | ||
| 122 | E | 58.2 | Low | 56.2 | Low | 128 Ų | 128 | 135.6 Ų | 135.6 | 60% | 0.598 | 71% | 0.712 | S | S | * | * | trans | -46.5 | 101.7 | 176.4 | -167.8 | -173.4 | 157.8 | 0 | 0 | 110.5 | E120 R124 | E120-E122 PolarHBondContact O-N 3.1Å; E122-R124 VanDerWaalsContact C-N 3.29Å; E122-R124 VanDerWaalsContact CD-NE 3.33Å; E122-R124 HydrophobicContact CG-CG 4.09Å; E122-R124 PolarHBondContact O-N 3.3Å; E122-R124 IonicContact OE1-CZ 2.74Å; E122-R124 IonicContact OE1-NE 3.12Å; E122-R124 PolarHBondContact OE1-NE 3Å; E122-R124 IonicContact OE1-NH2 2.84Å; E122-R124 PolarHBondContact OE1-NH2 2.88Å; E122-R124 VanDerWaalsContact OE1-NH2 3.12Å; E122-R124 IonicContact OE2-CZ 3.56Å; E122-R124 IonicContact OE2-NE 3.37Å; E122-R124 IonicContact OE2-NH2 3.57Å; E122-R124 PolarHBondContact OE2-NH2 3.25Å | ||
| 123 | V | 58.3 | Low | 58.2 | Low | 101 Ų | 101 | 132.2 Ų | 132.2 | 61% | 0.612 | 70% | 0.699 | S | S | * | * | trans | -80.2 | 79.7 | -179.1 | -167 | 0 | 0 | 0 | 0 | 107.8 | P121 M125 P130 | P121-V123 WeakPolarHBondContact O-CG2 3.19Å; P121-V123 PolarHBondContact O-N 3.12Å; V123-M125 PolarHBondContact O-N 3.18Å; V123-M125 VanDerWaalsContact O-N 3.14Å; V123-P130 HydrophobicContact CG1-CB 4.35Å | ||
| 124 | R | 63.6 | Low | 60.3 | Low | 146 Ų | 146 | 137.6 Ų | 137.6 | 55% | 0.551 | 70% | 0.703 | S | S | * | * | trans | -66.9 | 115 | 173.7 | -67.1 | -174.5 | -178 | 154.5 | 11 | 109.8 | E122 V126 I133 | E122-R124 VanDerWaalsContact C-N 3.29Å; E122-R124 VanDerWaalsContact CD-NE 3.33Å; E122-R124 HydrophobicContact CG-CG 4.09Å; E122-R124 PolarHBondContact O-N 3.3Å; E122-R124 IonicContact OE1-CZ 2.74Å; E122-R124 IonicContact OE1-NE 3.12Å; E122-R124 PolarHBondContact OE1-NE 3Å; E122-R124 IonicContact OE1-NH2 2.84Å; E122-R124 PolarHBondContact OE1-NH2 2.88Å; E122-R124 VanDerWaalsContact OE1-NH2 3.12Å; E122-R124 IonicContact OE2-CZ 3.56Å; E122-R124 IonicContact OE2-NE 3.37Å; E122-R124 IonicContact OE2-NH2 3.57Å; E122-R124 PolarHBondContact OE2-NH2 3.25Å; R124-V126 PolarHBondContact O-N 3.15Å; R124-I133 HydrophobicContact CB-CD1 3.99Å; R124-I133 HydrophobicContact CG-CD1 4.43Å | ||
| 125 | M | 55.3 | Low | 62.4 | Low | 150 Ų | 150 | 141.3 Ų | 141.3 | 74% | 0.739 | 71% | 0.705 | S | S | * | * | trans | -74.4 | 106.8 | 176.9 | -57.1 | 177.6 | 72.7 | 0 | 0 | 109.2 | V123 | V123-M125 PolarHBondContact O-N 3.18Å; V123-M125 VanDerWaalsContact O-N 3.14Å | ||
| 126 | V | 58.8 | Low | 64.4 | Low | 82 Ų | 82 | 140.4 Ų | 140.4 | 50% | 0.497 | 70% | 0.702 | S | S | . | * | B | Isolated β-bridge | trans | -107.3 | 112.7 | 170.1 | -177.5 | 0 | 0 | 0 | 0 | 107.6 | R124 | R124-V126 PolarHBondContact O-N 3.15Å |
| 127 | N | 56.6 | Low | 66.4 | Low | 136 Ų | 136 | 142.2 Ų | 142.2 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.5 | 36.6 | -177 | -59.3 | 96.8 | 0 | 0 | 0 | 116.3 | K129 | N127-K129 PolarHBondContact O-N 3.5Å; N127-K129 VanDerWaalsContact O-N 3.1Å |
| 128 | G | 64.3 | Low | 68.4 | Low | 61 Ų | 61 | 138.9 Ų | 138.9 | 63% | 0.629 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.7 | 10.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 129 | K | 66.7 | Low | 70.5 | Confident | 144 Ų | 144 | 138.8 Ų | 138.8 | 63% | 0.626 | 70% | 0.698 | S | S | * | * | B | Isolated β-bridge | trans | -121.7 | 126.9 | 176.7 | -69.8 | 140.7 | 179 | 168.9 | 0 | 108.7 | N127 K131 | N127-K129 PolarHBondContact O-N 3.5Å; N127-K129 VanDerWaalsContact O-N 3.1Å; K129-K131 PolarHBondContact O-N 3.2Å |
| 130 | P | 62.6 | Low | 72.4 | Confident | 111 Ų | 111 | 136.2 Ų | 136.2 | 72% | 0.721 | 67% | 0.674 | S | S | * | * | trans | -67 | 94.5 | 177.6 | 26 | -31.8 | 0 | 0 | 0 | 109.6 | V123 | V123-P130 HydrophobicContact CG1-CB 4.35Š| ||
| 131 | K | 71.8 | Confident | 74.4 | Confident | 141 Ų | 141 | 130.6 Ų | 130.6 | 61% | 0.613 | 65% | 0.654 | S | S | * | * | trans | -89.8 | 116.2 | 170.3 | -77.3 | -179 | 175.1 | 175.5 | 0 | 108.1 | K129 I133 | K129-K131 PolarHBondContact O-N 3.2Å; K131-I133 PolarHBondContact O-N 3.48Å | ||
| 132 | K | 79.1 | Confident | 76.4 | Confident | 204 Ų | 204 | 131 Ų | 131 | 89% | 0.887 | 66% | 0.659 | S | S | * | * | trans | -57.9 | 109.4 | 170.9 | -65.4 | -175.5 | 179.6 | -172.9 | 0 | 108.5 | R134 | K132-R134 PolarHBondContact O-N 2.97Š| ||
| 133 | I | 80.7 | Confident | 78.3 | Confident | 110 Ų | 110 | 132.2 Ų | 132.2 | 56% | 0.564 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 126.8 | 173.4 | -81.2 | 167.7 | 0 | 0 | 0 | 108.2 | R124 K131 | R124-I133 HydrophobicContact CB-CD1 3.99Å; R124-I133 HydrophobicContact CG-CD1 4.43Å; K131-I133 PolarHBondContact O-N 3.48Å |
| 134 | R | 84.3 | Confident | 80.3 | Confident | 220 Ų | 220 | 129 Ų | 129 | 83% | 0.83 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 143.4 | 175.2 | -63.8 | 176.1 | 73.6 | 165.7 | 5.3 | 108.1 | K132 | K132-R134 PolarHBondContact O-N 2.97Š|
| 135 | K | 85.3 | Confident | 81.9 | Confident | 192 Ų | 192 | 125.5 Ų | 125.5 | 84% | 0.835 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 134.1 | 175.7 | -71.4 | 84.8 | 166.5 | -175.1 | 0 | 109.6 | ||
| 136 | P | 87.8 | Confident | 84 | Confident | 119 Ų | 119 | 121 Ų | 121 | 77% | 0.773 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 143 | 174.5 | 24.4 | -33 | 0 | 0 | 0 | 109.7 | T138 | P136-T138 PolarHBondContact O-N 3.36Š|
| 137 | R | 90.7 | Very high | 85.8 | Confident | 231 Ų | 231 | 118.2 Ų | 118.2 | 87% | 0.872 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 128.6 | 178.5 | -70.9 | -179 | 179.3 | 152.8 | -1.1 | 109.2 | ||
| 138 | T | 91.8 | Very high | 87.8 | Confident | 105 Ų | 105 | 111.7 Ų | 111.7 | 64% | 0.644 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -75 | 137 | 169.9 | -46.3 | 0 | 0 | 0 | 0 | 110.2 | P136 | P136-T138 PolarHBondContact O-N 3.36Š|
| 139 | I | 94.8 | Very high | 89.5 | Confident | 154 Ų | 154 | 111 Ų | 111 | 79% | 0.79 | 55% | 0.547 | S | S | * | . | trans | -104.9 | 142.1 | 170.3 | 60.2 | 173.4 | 0 | 0 | 0 | 109.7 | ||||
| 140 | Y | 97.9 | Very high | 91 | Very high | 57 Ų | 57 | 112.4 Ų | 112.4 | 22% | 0.224 | 55% | 0.549 | C | S | . | . | trans | -85.7 | 146 | 174.7 | -58 | -56.6 | 0 | 0 | 0 | 110.2 | Q144 L145 L172 Q176 W180 | Y140-Q144 VanDerWaalsContact CA-OE1 3.29Å; Y140-L145 HydrophobicContact CD2-CD2 4.14Å; Y140-L145 HydrophobicContact CG-CD2 4.48Å; Y140-L172 HydrophobicContact CD1-CD1 4.04Å; Y140-L172 HydrophobicContact CD1-CD2 3.82Å; Y140-L172 HydrophobicContact CE1-CD1 3.97Å; Y140-L172 HydrophobicContact CE1-CD2 3.77Å; Y140-Q176 HydrophobicContact CE1-CB 4.35Å; Y140-Q176 HydrophobicContact CE1-CG 4.49Å; Y140-Q176 WeakPolarHBondContact OH-CB 3.42Å; Y140-W180 AromaticContact CD2-CD1 3.83Å; Y140-W180 AromaticContact CE2-CD1 3.65Å; Y140-W180 HydrophobicContact CE2-CG 4.49Å | ||
| 141 | S | 98.5 | Very high | 92.7 | Very high | 56 Ų | 56 | 110.5 Ų | 110.5 | 39% | 0.392 | 53% | 0.527 | S | S | . | . | trans | -69.5 | 162.7 | 175.4 | 76.9 | 0 | 0 | 0 | 0 | 111.9 | Y143 Q144 L145 | S141-Y143 VanDerWaalsContact C-N 3.3Å; S141-Y143 PolarHBondContact O-N 3.28Å; S141-Q144 PolarHBondContact O-N 3.24Å; S141-Q144 WeakPolarHBondContact OG-CG 3.16Å; S141-Q144 PolarHBondContact OG-N 3.38Å; S141-L145 WeakPolarHBondContact O-CG 3.47Å; S141-L145 PolarHBondContact O-N 3.16Å | ||
| 142 | S | 98.1 | Very high | 93.9 | Very high | 103 Ų | 103 | 104 Ų | 104 | 72% | 0.72 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -56.6 | -44.5 | 175.8 | 53.7 | 0 | 0 | 0 | 0 | 112.1 | Q144 L145 A146 | S142-Q144 PolarHBondContact O-N 3.37Å; S142-L145 PolarHBondContact O-N 3.46Å; S142-A146 WeakPolarHBondContact O-CB 3.32Å; S142-A146 PolarHBondContact O-N 3.1Å |
| 143 | Y | 98.3 | Very high | 94.8 | Very high | 153 Ų | 153 | 99.9 Ų | 99.9 | 60% | 0.6 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -57.9 | -47.8 | 175.5 | 172 | -100.3 | 0 | 0 | 0 | 112.1 | S141 L145 A146 A147 L170 | S141-Y143 VanDerWaalsContact C-N 3.3Å; S141-Y143 PolarHBondContact O-N 3.28Å; Y143-L145 PolarHBondContact O-N 2.98Å; Y143-A146 PolarHBondContact O-N 3.32Å; Y143-A147 PolarHBondContact O-N 3Å; Y143-L170 HydrophobicContact CD1-CD2 4.21Å; Y143-L170 HydrophobicContact CE1-CD2 3.61Å |
| 144 | Q | 98.6 | Very high | 95.6 | Very high | 33 Ų | 33 | 102.5 Ų | 102.5 | 15% | 0.154 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -60.7 | -46.1 | 178.7 | -71.5 | 172 | -22.9 | 0 | 0 | 111.3 | Y140 S141 S142 A146 A147 L148 L170 | Y140-Q144 VanDerWaalsContact CA-OE1 3.29Å; S141-Q144 PolarHBondContact O-N 3.24Å; S141-Q144 WeakPolarHBondContact OG-CG 3.16Å; S141-Q144 PolarHBondContact OG-N 3.38Å; S142-Q144 PolarHBondContact O-N 3.37Å; Q144-A146 PolarHBondContact O-N 3.06Å; Q144-A147 PolarHBondContact O-N 3.39Å; Q144-L148 WeakPolarHBondContact O-CB 3.25Å; Q144-L148 WeakPolarHBondContact O-CD1 3.38Å; Q144-L148 WeakPolarHBondContact O-CG 3.45Å; Q144-L148 PolarHBondContact O-N 2.92Å; Q144-L170 HydrophobicContact CG-CB 4.31Å; Q144-L170 PolarHBondContact NE2-O 2.98Å |
| 145 | L | 98.4 | Very high | 96.2 | Very high | 74 Ų | 74 | 93.4 Ų | 93.4 | 39% | 0.387 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 178.5 | -68.4 | 175 | 0 | 0 | 0 | 112.1 | Y140 S141 S142 Y143 L148 Q149 | Y140-L145 HydrophobicContact CD2-CD2 4.14Å; Y140-L145 HydrophobicContact CG-CD2 4.48Å; S141-L145 WeakPolarHBondContact O-CG 3.47Å; S141-L145 PolarHBondContact O-N 3.16Å; S142-L145 PolarHBondContact O-N 3.46Å; Y143-L145 PolarHBondContact O-N 2.98Å; L145-L148 PolarHBondContact O-N 3.08Å; L145-Q149 VanDerWaalsContact O-CB 3.26Å; L145-Q149 WeakPolarHBondContact O-CB 3.39Å; L145-Q149 PolarHBondContact O-N 3.46Å |
| 146 | A | 98.4 | Very high | 96.8 | Very high | 56 Ų | 56 | 87.5 Ų | 87.5 | 46% | 0.463 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S142 Y143 Q144 Q149 R150 | S142-A146 WeakPolarHBondContact O-CB 3.32Å; S142-A146 PolarHBondContact O-N 3.1Å; Y143-A146 PolarHBondContact O-N 3.32Å; Q144-A146 PolarHBondContact O-N 3.06Å; A146-Q149 PolarHBondContact O-N 3.35Å; A146-R150 WeakPolarHBondContact O-CB 3.49Å; A146-R150 PolarHBondContact O-N 3.04Å |
| 147 | A | 98.3 | Very high | 97.3 | Very high | 22 Ų | 22 | 89.1 Ų | 89.1 | 18% | 0.182 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -65.4 | -45.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y143 Q144 Q149 R150 R151 L170 | Y143-A147 PolarHBondContact O-N 3Å; Q144-A147 PolarHBondContact O-N 3.39Å; A147-Q149 VanDerWaalsContact C-N 3.29Å; A147-Q149 PolarHBondContact O-N 2.98Å; A147-R150 PolarHBondContact O-N 2.98Å; A147-R151 PolarHBondContact O-N 2.91Å; A147-L170 HydrophobicContact CB-CD1 4.07Å; A147-L170 HydrophobicContact CB-CD2 3.63Å; A147-L170 HydrophobicContact CB-CG 4.44Å |
| 148 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -57.7 | -44 | 174.6 | -72.7 | 164.6 | 0 | 0 | 0 | 111.1 | Q144 L145 R151 F152 L166 L170 L172 V177 W180 F181 | Q144-L148 WeakPolarHBondContact O-CB 3.25Å; Q144-L148 WeakPolarHBondContact O-CD1 3.38Å; Q144-L148 WeakPolarHBondContact O-CG 3.45Å; Q144-L148 PolarHBondContact O-N 2.92Å; L145-L148 PolarHBondContact O-N 3.08Å; L148-R151 PolarHBondContact O-N 3.43Å; L148-F152 WeakPolarHBondContact O-CB 3.33Å; L148-F152 PolarHBondContact O-N 3.32Å; L148-L166 HydrophobicContact CD2-CD2 3.95Å; L148-L170 HydrophobicContact CD2-CD1 4.02Å; L148-L170 HydrophobicContact CG-CD1 3.79Å; L148-L172 HydrophobicContact CD1-CD1 4.32Å; L148-V177 HydrophobicContact CD2-CG1 4.29Å; L148-W180 HydrophobicContact CB-CD2 3.99Å; L148-W180 HydrophobicContact CB-CE3 3.94Å; L148-W180 HydrophobicContact CB-CH2 3.69Å; L148-W180 HydrophobicContact CB-CZ2 3.7Å; L148-W180 HydrophobicContact CB-CZ3 3.8Å; L148-W180 HydrophobicContact CD1-CD2 3.88Å; L148-W180 HydrophobicContact CD1-CG 3.87Å; L148-W180 HydrophobicContact CD2-CD2 4.35Å; L148-W180 HydrophobicContact CD2-CE3 4.25Å; L148-W180 HydrophobicContact CG-CD2 4.3Å; L148-W180 HydrophobicContact CG-CE3 4.47Å; L148-F181 HydrophobicContact CD2-CE2 3.97Å |
| 149 | Q | 98.3 | Very high | 98 | Very high | 47 Ų | 47 | 76.5 Ų | 76.5 | 22% | 0.22 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.1 | -44 | 178.9 | -178 | 54.2 | 26.9 | 0 | 0 | 112.5 | L145 A146 A147 R151 F152 Q153 W180 | L145-Q149 VanDerWaalsContact O-CB 3.26Å; L145-Q149 WeakPolarHBondContact O-CB 3.39Å; L145-Q149 PolarHBondContact O-N 3.46Å; A146-Q149 PolarHBondContact O-N 3.35Å; A147-Q149 VanDerWaalsContact C-N 3.29Å; A147-Q149 PolarHBondContact O-N 2.98Å; Q149-R151 VanDerWaalsContact C-N 3.32Å; Q149-R151 PolarHBondContact O-N 3.12Å; Q149-F152 WeakPolarHBondContact O-CB 3.42Å; Q149-F152 PolarHBondContact O-N 2.87Å; Q149-Q153 PolarHBondContact O-N 3.39Å; Q149-Q153 VanDerWaalsContact O-N 3.07Å; Q149-W180 HydrophobicContact CB-CH2 4.46Å |
| 150 | R | 98.2 | Very high | 98.1 | Very high | 172 Ų | 172 | 74.5 Ų | 74.5 | 65% | 0.649 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -59.4 | -43.1 | 175.6 | -174.4 | -171.5 | -62.3 | 177.4 | -0.8 | 111.4 | A146 A147 | A146-R150 WeakPolarHBondContact O-CB 3.49Å; A146-R150 PolarHBondContact O-N 3.04Å; A147-R150 PolarHBondContact O-N 2.98Å |
| 151 | R | 98.1 | Very high | 98.1 | Very high | 72 Ų | 72 | 76.3 Ų | 76.3 | 27% | 0.272 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.3 | -40.8 | 176 | -173.6 | 68.9 | -177 | -163.6 | 6.3 | 111.4 | A147 L148 Q149 Q153 K154 A155 L158 E162 L166 F181 | A147-R151 PolarHBondContact O-N 2.91Å; L148-R151 PolarHBondContact O-N 3.43Å; Q149-R151 VanDerWaalsContact C-N 3.32Å; Q149-R151 PolarHBondContact O-N 3.12Å; R151-Q153 VanDerWaalsContact C-N 3.29Å; R151-Q153 PolarHBondContact O-N 2.87Å; R151-K154 WeakPolarHBondContact O-CB 3.32Å; R151-K154 PolarHBondContact O-N 3.48Å; R151-A155 PolarHBondContact O-N 3.03Å; R151-L158 HydrophobicContact CG-CD1 4.48Å; R151-L158 HydrophobicContact CG-CD2 3.83Å; R151-E162 IonicContact CZ-OE1 4Å; R151-E162 IonicContact NH2-OE1 2.71Å; R151-E162 PolarHBondContact NH2-OE1 3.29Å; R151-E162 IonicContact NH2-OE2 3.88Å; R151-L166 HydrophobicContact CB-CD2 4.2Å; R151-L166 HydrophobicContact CG-CD2 4.09Å; R151-F181 HydrophobicContact CB-CZ 4.35Å; R151-F181 HydrophobicContact CG-CZ 4.16Å |
| 152 | F | 98.3 | Very high | 98.1 | Very high | 5 Ų | 5 | 76.6 Ų | 76.6 | 2% | 0.022 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.5 | -36.1 | 179 | -173.7 | -93 | 0 | 0 | 0 | 113.3 | L148 Q149 K154 A155 Q156 W180 F181 R184 R185 F188 | L148-F152 WeakPolarHBondContact O-CB 3.33Å; L148-F152 PolarHBondContact O-N 3.32Å; Q149-F152 WeakPolarHBondContact O-CB 3.42Å; Q149-F152 PolarHBondContact O-N 2.87Å; F152-K154 PolarHBondContact O-N 3.27Å; F152-A155 WeakPolarHBondContact CA-O 3.44Å; F152-A155 CarbonylContact O-C 3.41Å; F152-A155 PolarHBondContact O-N 2.89Å; F152-Q156 HydrophobicContact CD2-CB 4.48Å; F152-Q156 HydrophobicContact CE1-CG 4.03Å; F152-Q156 HydrophobicContact CE2-CB 3.89Å; F152-Q156 HydrophobicContact CE2-CG 4.08Å; F152-Q156 HydrophobicContact CZ-CB 4.01Å; F152-Q156 HydrophobicContact CZ-CG 3.76Å; F152-W180 HydrophobicContact CB-CH2 4.47Å; F152-W180 HydrophobicContact CB-CZ3 4.17Å; F152-W180 HydrophobicContact CD2-CZ3 4.41Å; F152-F181 HydrophobicContact CB-CE1 4.25Å; F152-F181 HydrophobicContact CB-CZ 4.43Å; F152-F181 AromaticContact CD2-CD1 3.83Å; F152-F181 HydrophobicContact CD2-CD1 3.83Å; F152-F181 AromaticContact CD2-CE1 3.81Å; F152-F181 HydrophobicContact CD2-CE1 3.81Å; F152-F181 HydrophobicContact CE2-CD1 4.43Å; F152-R184 HydrophobicContact CD1-CG 3.84Å; F152-R184 HydrophobicContact CD2-CB 4.12Å; F152-R184 HydrophobicContact CD2-CG 3.65Å; F152-R184 HydrophobicContact CE1-CG 3.82Å; F152-R184 HydrophobicContact CE2-CB 3.96Å; F152-R184 HydrophobicContact CE2-CG 3.63Å; F152-R184 HydrophobicContact CG-CG 3.76Å; F152-R184 HydrophobicContact CZ-CB 4.38Å; F152-R184 HydrophobicContact CZ-CG 3.72Å; F152-R185 HydrophobicContact CE2-CG 3.72Å; F152-R185 HydrophobicContact CZ-CG 4.07Å; F152-F188 HydrophobicContact CE1-CD2 4.12Å; F152-F188 HydrophobicContact CE1-CG 4.47Å; F152-F188 HydrophobicContact CZ-CB 4.46Å |
| 153 | Q | 97.7 | Very high | 98.2 | Very high | 117 Ų | 117 | 74.3 Ų | 74.3 | 55% | 0.547 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.3 | -34.6 | 173.9 | -73.1 | 169.9 | -23.8 | 0 | 0 | 112.2 | Q149 R151 | Q149-Q153 PolarHBondContact O-N 3.39Å; Q149-Q153 VanDerWaalsContact O-N 3.07Å; R151-Q153 VanDerWaalsContact C-N 3.29Å; R151-Q153 PolarHBondContact O-N 2.87Å |
| 154 | K | 97.4 | Very high | 98.2 | Very high | 165 Ų | 165 | 68.8 Ų | 68.8 | 72% | 0.717 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -80.1 | -42.8 | 177.6 | -61.2 | -175.7 | 177.8 | -170.7 | 0 | 112.4 | R151 F152 | R151-K154 WeakPolarHBondContact O-CB 3.32Å; R151-K154 PolarHBondContact O-N 3.48Å; F152-K154 PolarHBondContact O-N 3.27Å |
| 155 | A | 97.3 | Very high | 98.2 | Very high | 28 Ų | 28 | 72.4 Ų | 72.4 | 23% | 0.231 | 36% | 0.364 | C | S | . | . | trans | -147.2 | 120.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | R151 F152 Y157 L158 F181 | R151-A155 PolarHBondContact O-N 3.03Å; F152-A155 WeakPolarHBondContact CA-O 3.44Å; F152-A155 CarbonylContact O-C 3.41Å; F152-A155 PolarHBondContact O-N 2.89Å; A155-Y157 VanDerWaalsContact C-N 3.27Å; A155-Y157 PolarHBondContact O-N 3.44Å; A155-L158 HydrophobicContact CB-CD2 4.43Å; A155-F181 WeakPolarHBondContact O-CE1 3.47Å | ||
| 156 | Q | 97.7 | Very high | 98.2 | Very high | 69 Ų | 69 | 69.4 Ų | 69.4 | 32% | 0.322 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -79 | -12.9 | 179.1 | -60 | -172.6 | -18.6 | 0 | 0 | 113.5 | F152 R185 F188 | F152-Q156 HydrophobicContact CD2-CB 4.48Å; F152-Q156 HydrophobicContact CE1-CG 4.03Å; F152-Q156 HydrophobicContact CE2-CB 3.89Å; F152-Q156 HydrophobicContact CE2-CG 4.08Å; F152-Q156 HydrophobicContact CZ-CB 4.01Å; F152-Q156 HydrophobicContact CZ-CG 3.76Å; Q156-R185 WeakPolarHBondContact O-CD 3.39Å; Q156-R185 PolarHBondContact O-NH1 3.07Å; Q156-F188 VanDerWaalsContact NE2-CE1 3.25Å |
| 157 | Y | 98.3 | Very high | 98.2 | Very high | 153 Ų | 153 | 67 Ų | 67 | 60% | 0.6 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -129 | 131.2 | 177.7 | -63.4 | -103.6 | 0 | 0 | 0 | 107.2 | A155 R185 | A155-Y157 VanDerWaalsContact C-N 3.27Å; A155-Y157 PolarHBondContact O-N 3.44Å; Y157-R185 WeakPolarHBondContact OH-CD 3.5Å |
| 158 | L | 97.9 | Very high | 98.2 | Very high | 18 Ų | 18 | 69.8 Ų | 69.8 | 9% | 0.094 | 35% | 0.352 | C | S | . | . | trans | -106.5 | 131.8 | 175.4 | -64.7 | -178.7 | 0 | 0 | 0 | 110 | R151 A155 E162 R163 L166 V177 F181 | R151-L158 HydrophobicContact CG-CD1 4.48Å; R151-L158 HydrophobicContact CG-CD2 3.83Å; A155-L158 HydrophobicContact CB-CD2 4.43Å; L158-E162 HydrophobicContact CB-CB 4.5Å; L158-E162 HydrophobicContact CD2-CB 4.27Å; L158-R163 HydrophobicContact CB-CB 4.29Å; L158-R163 PolarHBondContact O-NH2 2.93Å; L158-L166 HydrophobicContact CD1-CD2 3.76Å; L158-V177 HydrophobicContact CD1-CG1 4.04Å; L158-F181 HydrophobicContact CD1-CD1 4.42Å; L158-F181 HydrophobicContact CD1-CD2 4.08Å; L158-F181 HydrophobicContact CD1-CE1 3.9Å; L158-F181 HydrophobicContact CD1-CE2 3.51Å; L158-F181 HydrophobicContact CD1-CZ 3.42Å; L158-F181 VanDerWaalsContact CD1-CZ 3.42Å; L158-F181 HydrophobicContact CD2-CE1 4.24Å; L158-F181 HydrophobicContact CD2-CZ 4.24Å; L158-F181 HydrophobicContact CG-CD1 4.15Å; L158-F181 HydrophobicContact CG-CE1 3.67Å; L158-F181 HydrophobicContact CG-CE2 4.23Å; L158-F181 HydrophobicContact CG-CZ 3.72Å | ||
| 159 | A | 97.9 | Very high | 98.2 | Very high | 52 Ų | 52 | 75.2 Ų | 75.2 | 43% | 0.43 | 38% | 0.377 | S | S | . | . | trans | -66.1 | 164.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | P161 E162 R163 | A159-P161 HydrophobicContact CB-CG 4.35Å; A159-E162 HydrophobicContact CB-CG 4.31Å; A159-E162 PolarHBondContact N-OE2 3.46Å; A159-E162 PolarHBondContact O-N 3.42Å; A159-R163 WeakPolarHBondContact O-CB 3.48Å; A159-R163 PolarHBondContact O-N 3.26Å | ||
| 160 | L | 98.3 | Very high | 98.2 | Very high | 112 Ų | 112 | 73.5 Ų | 73.5 | 59% | 0.586 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -54.3 | -49.4 | 179.1 | -171.5 | 65.5 | 0 | 0 | 0 | 113.6 | R163 A164 | L160-R163 PolarHBondContact O-N 2.97Å; L160-A164 PolarHBondContact O-N 2.71Å |
| 161 | P | 98.2 | Very high | 98.2 | Very high | 95 Ų | 95 | 68.6 Ų | 68.6 | 62% | 0.617 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.5 | -45.4 | -179.3 | 23.1 | -33.8 | 0 | 0 | 0 | 112.6 | A159 R163 A164 E165 | A159-P161 HydrophobicContact CB-CG 4.35Å; P161-R163 VanDerWaalsContact C-N 3.27Å; P161-R163 PolarHBondContact O-N 3.26Å; P161-A164 WeakPolarHBondContact O-CB 3.32Å; P161-A164 PolarHBondContact O-N 3.49Å; P161-A164 VanDerWaalsContact O-N 3.1Å; P161-E165 PolarHBondContact O-N 3.2Å |
| 162 | E | 98.4 | Very high | 98.2 | Very high | 63 Ų | 63 | 66.2 Ų | 66.2 | 29% | 0.294 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63 | -35.7 | 179.5 | -53.8 | 177.4 | 124.5 | 0 | 0 | 112.2 | R151 L158 A159 L166 | R151-E162 IonicContact CZ-OE1 4Å; R151-E162 IonicContact NH2-OE1 2.71Å; R151-E162 PolarHBondContact NH2-OE1 3.29Å; R151-E162 IonicContact NH2-OE2 3.88Å; L158-E162 HydrophobicContact CB-CB 4.5Å; L158-E162 HydrophobicContact CD2-CB 4.27Å; A159-E162 HydrophobicContact CB-CG 4.31Å; A159-E162 PolarHBondContact N-OE2 3.46Å; A159-E162 PolarHBondContact O-N 3.42Å; E162-L166 WeakPolarHBondContact O-CB 3.4Å; E162-L166 PolarHBondContact O-N 3.28Å |
| 163 | R | 98.7 | Very high | 98.2 | Very high | 55 Ų | 55 | 69.6 Ų | 69.6 | 21% | 0.208 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66 | -42.4 | 174.8 | -176 | -169.3 | -57 | 159.8 | 9.7 | 111.2 | L158 A159 L160 P161 A167 Q174 V177 | L158-R163 HydrophobicContact CB-CB 4.29Å; L158-R163 PolarHBondContact O-NH2 2.93Å; A159-R163 WeakPolarHBondContact O-CB 3.48Å; A159-R163 PolarHBondContact O-N 3.26Å; L160-R163 PolarHBondContact O-N 2.97Å; P161-R163 VanDerWaalsContact C-N 3.27Å; P161-R163 PolarHBondContact O-N 3.26Å; R163-A167 WeakPolarHBondContact O-CB 3.29Å; R163-A167 PolarHBondContact O-N 3.15Å; R163-Q174 WeakPolarHBondContact CD-O 3.42Å; R163-Q174 HydrophobicContact CG-CB 4.29Å; R163-V177 HydrophobicContact CG-CB 4.15Å; R163-V177 HydrophobicContact CG-CG1 3.99Å |
| 164 | A | 98.6 | Very high | 98.2 | Very high | 36 Ų | 36 | 68 Ų | 68 | 30% | 0.298 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L160 P161 A167 A168 Q174 | L160-A164 PolarHBondContact O-N 2.71Å; P161-A164 WeakPolarHBondContact O-CB 3.32Å; P161-A164 PolarHBondContact O-N 3.49Å; P161-A164 VanDerWaalsContact O-N 3.1Å; A164-A167 PolarHBondContact O-N 3.43Å; A164-A168 PolarHBondContact O-N 2.97Å; A164-Q174 HydrophobicContact CB-CG 4.49Å |
| 165 | E | 98.5 | Very high | 98.3 | Very high | 109 Ų | 109 | 64.4 Ų | 64.4 | 51% | 0.509 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.3 | -50.6 | 176.6 | -169 | -164.7 | 157.6 | 0 | 0 | 111.8 | P161 A167 A168 Q169 | P161-E165 PolarHBondContact O-N 3.2Å; E165-A167 VanDerWaalsContact C-N 3.31Å; E165-A167 PolarHBondContact O-N 2.85Å; E165-A168 PolarHBondContact O-N 3.28Å; E165-Q169 WeakPolarHBondContact O-CG 3.36Å; E165-Q169 PolarHBondContact O-N 2.97Å; E165-Q169 PolarHBondContact OE1-NE2 3.41Å |
| 166 | L | 98.5 | Very high | 98.3 | Very high | 12 Ų | 12 | 65.3 Ų | 65.3 | 6% | 0.063 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.4 | -37.2 | -180 | -174.2 | 63 | 0 | 0 | 0 | 112.4 | L148 R151 L158 E162 Q169 L170 V177 F181 | L148-L166 HydrophobicContact CD2-CD2 3.95Å; R151-L166 HydrophobicContact CB-CD2 4.2Å; R151-L166 HydrophobicContact CG-CD2 4.09Å; L158-L166 HydrophobicContact CD1-CD2 3.76Å; E162-L166 WeakPolarHBondContact O-CB 3.4Å; E162-L166 PolarHBondContact O-N 3.28Å; L166-Q169 PolarHBondContact O-N 3.45Å; L166-L170 HydrophobicContact CD1-CD1 3.89Å; L166-L170 HydrophobicContact CD1-CG 4.21Å; L166-L170 HydrophobicContact CG-CD1 4.11Å; L166-L170 WeakPolarHBondContact O-CB 3.39Å; L166-L170 WeakPolarHBondContact O-CG 3.34Å; L166-L170 PolarHBondContact O-N 3.32Å; L166-L170 VanDerWaalsContact O-N 3.16Å; L166-V177 HydrophobicContact CD2-CG1 4.07Å; L166-F181 HydrophobicContact CD2-CE2 4.03Å; L166-F181 HydrophobicContact CD2-CZ 4.38Å |
| 167 | A | 98.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 62.1 Ų | 62.1 | 3% | 0.033 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | R163 A164 E165 L170 G171 L172 Q174 V177 | R163-A167 WeakPolarHBondContact O-CB 3.29Å; R163-A167 PolarHBondContact O-N 3.15Å; A164-A167 PolarHBondContact O-N 3.43Å; E165-A167 VanDerWaalsContact C-N 3.31Å; E165-A167 PolarHBondContact O-N 2.85Å; A167-L170 PolarHBondContact O-N 3.4Å; A167-G171 PolarHBondContact O-N 2.94Å; A167-G171 VanDerWaalsContact O-N 3.08Å; A167-L172 CarbonylContact C-O 3.46Å; A167-L172 WeakPolarHBondContact CB-O 3.41Å; A167-L172 PolarHBondContact O-N 3.05Å; A167-L172 VanDerWaalsContact O-O 3.14Å; A167-Q174 HydrophobicContact CB-CG 4.18Å; A167-V177 HydrophobicContact CB-CG2 3.96Å |
| 168 | A | 98.5 | Very high | 98.3 | Very high | 81 Ų | 81 | 59.7 Ų | 59.7 | 67% | 0.669 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.7 | -46.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | A164 E165 L170 G171 | A164-A168 PolarHBondContact O-N 2.97Å; E165-A168 PolarHBondContact O-N 3.28Å; A168-L170 VanDerWaalsContact C-N 3.26Å; A168-L170 PolarHBondContact O-N 3.29Å; A168-G171 PolarHBondContact O-N 3.12Å |
| 169 | Q | 98.3 | Very high | 98.4 | Very high | 114 Ų | 114 | 62.7 Ų | 62.7 | 53% | 0.533 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.1 | -34.2 | 179.3 | -72.7 | 174.9 | 12.4 | 0 | 0 | 113.3 | E165 L166 | E165-Q169 WeakPolarHBondContact O-CG 3.36Å; E165-Q169 PolarHBondContact O-N 2.97Å; E165-Q169 PolarHBondContact OE1-NE2 3.41Å; L166-Q169 PolarHBondContact O-N 3.45Å |
| 170 | L | 98.3 | Very high | 98.4 | Very high | 11 Ų | 11 | 61.8 Ų | 61.8 | 6% | 0.058 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -99.2 | -1.4 | -175 | -62.1 | -176 | 0 | 0 | 0 | 114.2 | Y143 Q144 A147 L148 L166 A167 A168 L172 | Y143-L170 HydrophobicContact CD1-CD2 4.21Å; Y143-L170 HydrophobicContact CE1-CD2 3.61Å; Q144-L170 HydrophobicContact CG-CB 4.31Å; Q144-L170 PolarHBondContact NE2-O 2.98Å; A147-L170 HydrophobicContact CB-CD1 4.07Å; A147-L170 HydrophobicContact CB-CD2 3.63Å; A147-L170 HydrophobicContact CB-CG 4.44Å; L148-L170 HydrophobicContact CD2-CD1 4.02Å; L148-L170 HydrophobicContact CG-CD1 3.79Å; L166-L170 HydrophobicContact CD1-CD1 3.89Å; L166-L170 HydrophobicContact CD1-CG 4.21Å; L166-L170 HydrophobicContact CG-CD1 4.11Å; L166-L170 WeakPolarHBondContact O-CB 3.39Å; L166-L170 WeakPolarHBondContact O-CG 3.34Å; L166-L170 PolarHBondContact O-N 3.32Å; L166-L170 VanDerWaalsContact O-N 3.16Å; A167-L170 PolarHBondContact O-N 3.4Å; A168-L170 VanDerWaalsContact C-N 3.26Å; A168-L170 PolarHBondContact O-N 3.29Å; L170-L172 VanDerWaalsContact C-N 3.27Å; L170-L172 HydrophobicContact CB-CD1 4.11Å; L170-L172 HydrophobicContact CB-CG 3.99Å; L170-L172 HydrophobicContact CD1-CD1 4.41Å; L170-L172 PolarHBondContact O-N 3.5Å |
| 171 | G | 98.2 | Very high | 98.4 | Very high | 70 Ų | 70 | 56.8 Ų | 56.8 | 72% | 0.722 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 33.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A167 A168 | A167-G171 PolarHBondContact O-N 2.94Å; A167-G171 VanDerWaalsContact O-N 3.08Å; A168-G171 PolarHBondContact O-N 3.12Å |
| 172 | L | 98.3 | Very high | 98.4 | Very high | 22 Ų | 22 | 56.2 Ų | 56.2 | 12% | 0.115 | 31% | 0.311 | C | S | . | . | trans | -111.5 | 161.2 | 179.4 | -62.2 | -178 | 0 | 0 | 0 | 110.6 | Y140 L148 A167 L170 Q176 V177 | Y140-L172 HydrophobicContact CD1-CD1 4.04Å; Y140-L172 HydrophobicContact CD1-CD2 3.82Å; Y140-L172 HydrophobicContact CE1-CD1 3.97Å; Y140-L172 HydrophobicContact CE1-CD2 3.77Å; L148-L172 HydrophobicContact CD1-CD1 4.32Å; A167-L172 CarbonylContact C-O 3.46Å; A167-L172 WeakPolarHBondContact CB-O 3.41Å; A167-L172 PolarHBondContact O-N 3.05Å; A167-L172 VanDerWaalsContact O-O 3.14Å; L170-L172 VanDerWaalsContact C-N 3.27Å; L170-L172 HydrophobicContact CB-CD1 4.11Å; L170-L172 HydrophobicContact CB-CG 3.99Å; L170-L172 HydrophobicContact CD1-CD1 4.41Å; L170-L172 PolarHBondContact O-N 3.5Å; L172-Q176 HydrophobicContact CB-CB 4.45Å; L172-V177 HydrophobicContact CB-CG2 4.2Å; L172-V177 HydrophobicContact CD1-CG2 4.47Å | ||
| 173 | T | 98.4 | Very high | 98.4 | Very high | 76 Ų | 76 | 58.1 Ų | 58.1 | 47% | 0.466 | 32% | 0.323 | S | S | . | . | trans | -79.8 | 151 | 169.4 | 63.5 | 0 | 0 | 0 | 0 | 110.9 | T175 Q176 V177 | T173-T175 PolarHBondContact O-N 3.48Å; T173-T175 VanDerWaalsContact O-N 3.15Å; T173-Q176 WeakPolarHBondContact O-CB 3.4Å; T173-Q176 PolarHBondContact O-N 3.41Å; T173-Q176 WeakPolarHBondContact OG1-CB 3.4Å; T173-Q176 VanDerWaalsContact OG1-CG 3.25Å; T173-Q176 WeakPolarHBondContact OG1-CG 3.2Å; T173-Q176 PolarHBondContact OG1-N 3.02Å; T173-Q176 PolarHBondContact OG1-OE1 2.9Å; T173-V177 PolarHBondContact O-N 2.96Å; T173-V177 VanDerWaalsContact O-N 3.12Å | ||
| 174 | Q | 98.5 | Very high | 98.3 | Very high | 83 Ų | 83 | 58.9 Ų | 58.9 | 39% | 0.388 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -54.3 | -36.1 | 173.6 | -65.9 | -173.9 | 43.5 | 0 | 0 | 112 | R163 A164 A167 V177 K178 | R163-Q174 WeakPolarHBondContact CD-O 3.42Å; R163-Q174 HydrophobicContact CG-CB 4.29Å; A164-Q174 HydrophobicContact CB-CG 4.49Å; A167-Q174 HydrophobicContact CB-CG 4.18Å; Q174-V177 PolarHBondContact O-N 3.46Å; Q174-K178 WeakPolarHBondContact O-CB 3.44Å; Q174-K178 PolarHBondContact O-N 3.37Å |
| 175 | T | 98.3 | Very high | 98.3 | Very high | 89 Ų | 89 | 60.2 Ų | 60.2 | 55% | 0.546 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 177 | -59.2 | 0 | 0 | 0 | 0 | 112 | T173 K178 I179 | T173-T175 PolarHBondContact O-N 3.48Å; T173-T175 VanDerWaalsContact O-N 3.15Å; T175-K178 WeakPolarHBondContact O-CB 3.41Å; T175-K178 PolarHBondContact O-N 3.34Å; T175-I179 HydrophobicContact CG2-CD1 3.82Å; T175-I179 HydrophobicContact CG2-CG1 4.4Å; T175-I179 WeakPolarHBondContact O-CB 3.26Å; T175-I179 VanDerWaalsContact O-CG1 3.29Å; T175-I179 WeakPolarHBondContact O-CG1 3.4Å; T175-I179 PolarHBondContact O-N 3.46Å |
| 176 | Q | 98.1 | Very high | 98.3 | Very high | 48 Ų | 48 | 58.5 Ų | 58.5 | 22% | 0.224 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.5 | -46.1 | 175.3 | -79.7 | 165.9 | -46.1 | 0 | 0 | 111.6 | Y140 L172 T173 K178 I179 W180 | Y140-Q176 HydrophobicContact CE1-CB 4.35Å; Y140-Q176 HydrophobicContact CE1-CG 4.49Å; Y140-Q176 WeakPolarHBondContact OH-CB 3.42Å; L172-Q176 HydrophobicContact CB-CB 4.45Å; T173-Q176 WeakPolarHBondContact O-CB 3.4Å; T173-Q176 PolarHBondContact O-N 3.41Å; T173-Q176 WeakPolarHBondContact OG1-CB 3.4Å; T173-Q176 VanDerWaalsContact OG1-CG 3.25Å; T173-Q176 WeakPolarHBondContact OG1-CG 3.2Å; T173-Q176 PolarHBondContact OG1-N 3.02Å; T173-Q176 PolarHBondContact OG1-OE1 2.9Å; Q176-K178 PolarHBondContact O-N 3.01Å; Q176-I179 PolarHBondContact O-N 2.91Å; Q176-W180 WeakPolarHBondContact O-CB 3.45Å; Q176-W180 PolarHBondContact O-N 3.32Å |
| 177 | V | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 175.1 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | L148 L158 R163 L166 A167 L172 T173 Q174 I179 W180 F181 | L148-V177 HydrophobicContact CD2-CG1 4.29Å; L158-V177 HydrophobicContact CD1-CG1 4.04Å; R163-V177 HydrophobicContact CG-CB 4.15Å; R163-V177 HydrophobicContact CG-CG1 3.99Å; L166-V177 HydrophobicContact CD2-CG1 4.07Å; A167-V177 HydrophobicContact CB-CG2 3.96Å; L172-V177 HydrophobicContact CB-CG2 4.2Å; L172-V177 HydrophobicContact CD1-CG2 4.47Å; T173-V177 PolarHBondContact O-N 2.96Å; T173-V177 VanDerWaalsContact O-N 3.12Å; Q174-V177 PolarHBondContact O-N 3.46Å; V177-I179 PolarHBondContact O-N 3.36Å; V177-W180 PolarHBondContact O-N 3.2Å; V177-F181 HydrophobicContact CG1-CD2 3.87Å; V177-F181 HydrophobicContact CG1-CE2 3.97Å; V177-F181 WeakPolarHBondContact O-CD2 3.4Å; V177-F181 PolarHBondContact O-N 3.43Å |
| 178 | K | 98.3 | Very high | 97.9 | Very high | 103 Ų | 103 | 66.4 Ų | 66.4 | 45% | 0.448 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.3 | -44.4 | 177.5 | -171.2 | -164 | 171.7 | 179.1 | 0 | 112 | Q174 T175 Q176 Q182 | Q174-K178 WeakPolarHBondContact O-CB 3.44Å; Q174-K178 PolarHBondContact O-N 3.37Å; T175-K178 WeakPolarHBondContact O-CB 3.41Å; T175-K178 PolarHBondContact O-N 3.34Å; Q176-K178 PolarHBondContact O-N 3.01Å; K178-Q182 WeakPolarHBondContact O-CG 3.47Å; K178-Q182 PolarHBondContact O-N 3.01Å; K178-Q182 VanDerWaalsContact O-N 3.15Å; K178-Q182 PolarHBondContact O-NE2 3.39Å |
| 179 | I | 98.4 | Very high | 97.7 | Very high | 80 Ų | 80 | 68.6 Ų | 68.6 | 41% | 0.41 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.1 | -43.8 | 179.1 | -69.7 | 168.4 | 0 | 0 | 0 | 110.3 | T175 Q176 V177 F181 Q182 N183 | T175-I179 HydrophobicContact CG2-CD1 3.82Å; T175-I179 HydrophobicContact CG2-CG1 4.4Å; T175-I179 WeakPolarHBondContact O-CB 3.26Å; T175-I179 VanDerWaalsContact O-CG1 3.29Å; T175-I179 WeakPolarHBondContact O-CG1 3.4Å; T175-I179 PolarHBondContact O-N 3.46Å; Q176-I179 PolarHBondContact O-N 2.91Å; V177-I179 PolarHBondContact O-N 3.36Å; I179-F181 VanDerWaalsContact C-N 3.35Å; I179-F181 PolarHBondContact O-N 2.96Å; I179-Q182 PolarHBondContact O-N 3.37Å; I179-N183 PolarHBondContact O-N 2.94Å |
| 180 | W | 98.3 | Very high | 97.5 | Very high | 34 Ų | 34 | 70 Ų | 70 | 13% | 0.129 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59 | -46.5 | 178.3 | -170.5 | 100.1 | 0 | 0 | 0 | 111.5 | Y140 L148 Q149 F152 Q176 V177 Q182 N183 R184 | Y140-W180 AromaticContact CD2-CD1 3.83Å; Y140-W180 AromaticContact CE2-CD1 3.65Å; Y140-W180 HydrophobicContact CE2-CG 4.49Å; L148-W180 HydrophobicContact CB-CD2 3.99Å; L148-W180 HydrophobicContact CB-CE3 3.94Å; L148-W180 HydrophobicContact CB-CH2 3.69Å; L148-W180 HydrophobicContact CB-CZ2 3.7Å; L148-W180 HydrophobicContact CB-CZ3 3.8Å; L148-W180 HydrophobicContact CD1-CD2 3.88Å; L148-W180 HydrophobicContact CD1-CG 3.87Å; L148-W180 HydrophobicContact CD2-CD2 4.35Å; L148-W180 HydrophobicContact CD2-CE3 4.25Å; L148-W180 HydrophobicContact CG-CD2 4.3Å; L148-W180 HydrophobicContact CG-CE3 4.47Å; Q149-W180 HydrophobicContact CB-CH2 4.46Å; F152-W180 HydrophobicContact CB-CH2 4.47Å; F152-W180 HydrophobicContact CB-CZ3 4.17Å; F152-W180 HydrophobicContact CD2-CZ3 4.41Å; Q176-W180 WeakPolarHBondContact O-CB 3.45Å; Q176-W180 PolarHBondContact O-N 3.32Å; V177-W180 PolarHBondContact O-N 3.2Å; W180-Q182 PolarHBondContact O-N 3Å; W180-N183 PolarHBondContact O-N 2.93Å; W180-R184 HydrophobicContact CE3-CB 4.05Å; W180-R184 HydrophobicContact CH2-CB 4.14Å; W180-R184 HydrophobicContact CH2-CG 3.82Å; W180-R184 HydrophobicContact CZ3-CB 3.77Å; W180-R184 HydrophobicContact CZ3-CG 3.8Å; W180-R184 WeakPolarHBondContact O-CB 3.38Å; W180-R184 PolarHBondContact O-N 3.35Å |
| 181 | F | 98.6 | Very high | 97.1 | Very high | 7 Ų | 7 | 72.2 Ų | 72.2 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63 | -40.7 | 177.5 | -91.2 | -103.2 | 0 | 0 | 0 | 112.5 | L148 R151 F152 A155 L158 L166 V177 I179 R184 R185 | L148-F181 HydrophobicContact CD2-CE2 3.97Å; R151-F181 HydrophobicContact CB-CZ 4.35Å; R151-F181 HydrophobicContact CG-CZ 4.16Å; F152-F181 HydrophobicContact CB-CE1 4.25Å; F152-F181 HydrophobicContact CB-CZ 4.43Å; F152-F181 AromaticContact CD2-CD1 3.83Å; F152-F181 HydrophobicContact CD2-CD1 3.83Å; F152-F181 AromaticContact CD2-CE1 3.81Å; F152-F181 HydrophobicContact CD2-CE1 3.81Å; F152-F181 HydrophobicContact CE2-CD1 4.43Å; A155-F181 WeakPolarHBondContact O-CE1 3.47Å; L158-F181 HydrophobicContact CD1-CD1 4.42Å; L158-F181 HydrophobicContact CD1-CD2 4.08Å; L158-F181 HydrophobicContact CD1-CE1 3.9Å; L158-F181 HydrophobicContact CD1-CE2 3.51Å; L158-F181 HydrophobicContact CD1-CZ 3.42Å; L158-F181 VanDerWaalsContact CD1-CZ 3.42Å; L158-F181 HydrophobicContact CD2-CE1 4.24Å; L158-F181 HydrophobicContact CD2-CZ 4.24Å; L158-F181 HydrophobicContact CG-CD1 4.15Å; L158-F181 HydrophobicContact CG-CE1 3.67Å; L158-F181 HydrophobicContact CG-CE2 4.23Å; L158-F181 HydrophobicContact CG-CZ 3.72Å; L166-F181 HydrophobicContact CD2-CE2 4.03Å; L166-F181 HydrophobicContact CD2-CZ 4.38Å; V177-F181 HydrophobicContact CG1-CD2 3.87Å; V177-F181 HydrophobicContact CG1-CE2 3.97Å; V177-F181 WeakPolarHBondContact O-CD2 3.4Å; V177-F181 PolarHBondContact O-N 3.43Å; I179-F181 VanDerWaalsContact C-N 3.35Å; I179-F181 PolarHBondContact O-N 2.96Å; F181-R184 PolarHBondContact O-N 3.02Å; F181-R185 WeakPolarHBondContact O-CG 3.16Å; F181-R185 PolarHBondContact O-N 3.31Å |
| 182 | Q | 98.5 | Very high | 96.5 | Very high | 82 Ų | 82 | 75.2 Ų | 75.2 | 38% | 0.383 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.7 | -47.9 | 174.3 | -76.5 | 172.1 | 81.9 | 0 | 0 | 111.8 | K178 I179 W180 R184 R185 S186 | K178-Q182 WeakPolarHBondContact O-CG 3.47Å; K178-Q182 PolarHBondContact O-N 3.01Å; K178-Q182 VanDerWaalsContact O-N 3.15Å; K178-Q182 PolarHBondContact O-NE2 3.39Å; I179-Q182 PolarHBondContact O-N 3.37Å; W180-Q182 PolarHBondContact O-N 3Å; Q182-R184 VanDerWaalsContact C-N 3.31Å; Q182-R184 PolarHBondContact O-N 3.43Å; Q182-R185 PolarHBondContact O-N 3.49Å; Q182-S186 PolarHBondContact O-N 2.84Å; Q182-S186 PolarHBondContact O-OG 3.21Å |
| 183 | N | 97.9 | Very high | 95.7 | Very high | 103 Ų | 103 | 82 Ų | 82 | 55% | 0.551 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61.6 | -41.7 | 177.5 | -70.1 | -17.2 | 0 | 0 | 0 | 111.5 | I179 W180 S186 K187 | I179-N183 PolarHBondContact O-N 2.94Å; W180-N183 PolarHBondContact O-N 2.93Å; N183-S186 PolarHBondContact O-N 3.1Å; N183-K187 PolarHBondContact O-N 3.41Å |
| 184 | R | 97.7 | Very high | 94.8 | Very high | 71 Ų | 71 | 83.4 Ų | 83.4 | 27% | 0.268 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 178.8 | -170.6 | 61.4 | 176.8 | 161 | 3.3 | 111.6 | F152 W180 F181 Q182 K187 F188 | F152-R184 HydrophobicContact CD1-CG 3.84Å; F152-R184 HydrophobicContact CD2-CB 4.12Å; F152-R184 HydrophobicContact CD2-CG 3.65Å; F152-R184 HydrophobicContact CE1-CG 3.82Å; F152-R184 HydrophobicContact CE2-CB 3.96Å; F152-R184 HydrophobicContact CE2-CG 3.63Å; F152-R184 HydrophobicContact CG-CG 3.76Å; F152-R184 HydrophobicContact CZ-CB 4.38Å; F152-R184 HydrophobicContact CZ-CG 3.72Å; W180-R184 HydrophobicContact CE3-CB 4.05Å; W180-R184 HydrophobicContact CH2-CB 4.14Å; W180-R184 HydrophobicContact CH2-CG 3.82Å; W180-R184 HydrophobicContact CZ3-CB 3.77Å; W180-R184 HydrophobicContact CZ3-CG 3.8Å; W180-R184 WeakPolarHBondContact O-CB 3.38Å; W180-R184 PolarHBondContact O-N 3.35Å; F181-R184 PolarHBondContact O-N 3.02Å; Q182-R184 VanDerWaalsContact C-N 3.31Å; Q182-R184 PolarHBondContact O-N 3.43Å; R184-K187 PolarHBondContact O-N 3.04Å; R184-F188 WeakPolarHBondContact O-CB 3.42Å; R184-F188 PolarHBondContact O-N 2.91Å |
| 185 | R | 97.6 | Very high | 93.6 | Very high | 64 Ų | 64 | 82.4 Ų | 82.4 | 24% | 0.242 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 174.7 | -71.2 | -166.3 | -57.2 | -125.1 | 12.4 | 113 | F152 Q156 Y157 F181 Q182 F188 K189 | F152-R185 HydrophobicContact CE2-CG 3.72Å; F152-R185 HydrophobicContact CZ-CG 4.07Å; Q156-R185 WeakPolarHBondContact O-CD 3.39Å; Q156-R185 PolarHBondContact O-NH1 3.07Å; Y157-R185 WeakPolarHBondContact OH-CD 3.5Å; F181-R185 WeakPolarHBondContact O-CG 3.16Å; F181-R185 PolarHBondContact O-N 3.31Å; Q182-R185 PolarHBondContact O-N 3.49Å; R185-F188 PolarHBondContact O-N 3.02Å; R185-K189 WeakPolarHBondContact O-CB 3.48Å; R185-K189 PolarHBondContact O-N 3.04Å |
| 186 | S | 97.8 | Very high | 91.9 | Very high | 73 Ų | 73 | 84.9 Ų | 84.9 | 51% | 0.51 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 177.2 | -67.6 | 0 | 0 | 0 | 0 | 111.7 | Q182 N183 K190 | Q182-S186 PolarHBondContact O-N 2.84Å; Q182-S186 PolarHBondContact O-OG 3.21Å; N183-S186 PolarHBondContact O-N 3.1Å; S186-K190 PolarHBondContact O-N 3.13Å |
| 187 | K | 95.6 | Very high | 90.2 | Very high | 124 Ų | 124 | 86 Ų | 86 | 54% | 0.539 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.8 | -46 | 175.1 | -175.6 | 175.2 | 179.2 | 177.2 | 0 | 111.3 | N183 R184 K190 L191 | N183-K187 PolarHBondContact O-N 3.41Å; R184-K187 PolarHBondContact O-N 3.04Å; K187-K190 WeakPolarHBondContact O-CB 3.34Å; K187-K190 PolarHBondContact O-N 3.12Å; K187-L191 HydrophobicContact CG-CD1 4.21Å; K187-L191 WeakPolarHBondContact O-CG 3.48Å; K187-L191 PolarHBondContact O-N 3.36Å |
| 188 | F | 94.1 | Very high | 88.2 | Confident | 59 Ų | 59 | 91 Ų | 91 | 26% | 0.259 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -56.4 | -55.8 | 176.6 | -172.7 | -92.8 | 0 | 0 | 0 | 110.6 | F152 Q156 R184 R185 K190 L191 Y192 | F152-F188 HydrophobicContact CE1-CD2 4.12Å; F152-F188 HydrophobicContact CE1-CG 4.47Å; F152-F188 HydrophobicContact CZ-CB 4.46Å; Q156-F188 VanDerWaalsContact NE2-CE1 3.25Å; R184-F188 WeakPolarHBondContact O-CB 3.42Å; R184-F188 PolarHBondContact O-N 2.91Å; R185-F188 PolarHBondContact O-N 3.02Å; F188-K190 PolarHBondContact O-N 3.21Å; F188-K190 VanDerWaalsContact O-N 3.12Å; F188-L191 PolarHBondContact O-N 3.37Å; F188-Y192 AromaticContact CD1-CD2 3.73Å; F188-Y192 HydrophobicContact CD1-CD2 3.73Å; F188-Y192 AromaticContact CD1-CE2 3.55Å; F188-Y192 HydrophobicContact CD1-CE2 3.55Å; F188-Y192 HydrophobicContact CD2-CD2 4.26Å; F188-Y192 AromaticContact CD2-CE2 3.52Å; F188-Y192 HydrophobicContact CD2-CE2 3.52Å; F188-Y192 AromaticContact CE1-CD2 3.71Å; F188-Y192 HydrophobicContact CE1-CD2 3.71Å; F188-Y192 HydrophobicContact CE1-CE1 4.2Å; F188-Y192 AromaticContact CE1-CE2 3.2Å; F188-Y192 HydrophobicContact CE1-CE2 3.2Å; F188-Y192 HydrophobicContact CE1-CG 4.39Å; F188-Y192 AromaticContact CE1-CZ 3.48Å; F188-Y192 VanDerWaalsContact CE1-CZ 3.48Å; F188-Y192 HydrophobicContact CE2-CD2 4.26Å; F188-Y192 AromaticContact CE2-CE2 3.19Å; F188-Y192 HydrophobicContact CE2-CE2 3.19Å; F188-Y192 AromaticContact CE2-CZ 3.57Å; F188-Y192 VanDerWaalsContact CE2-OH 3.28Å; F188-Y192 WeakPolarHBondContact CE2-OH 2.94Å; F188-Y192 HydrophobicContact CG-CD2 4.04Å; F188-Y192 AromaticContact CG-CE2 3.72Å; F188-Y192 HydrophobicContact CG-CE2 3.72Å; F188-Y192 HydrophobicContact CZ-CD2 4.02Å; F188-Y192 HydrophobicContact CZ-CE1 4.11Å; F188-Y192 AromaticContact CZ-CE2 3.04Å; F188-Y192 HydrophobicContact CZ-CE2 3.04Å; F188-Y192 AromaticContact CZ-CZ 3.09Å; F188-Y192 WeakPolarHBondContact CZ-OH 3.28Å; F188-Y192 WeakPolarHBondContact O-CD2 3.39Å; F188-Y192 PolarHBondContact O-N 3.39Å; F188-Y192 VanDerWaalsContact O-N 3.1Å |
| 189 | K | 94.6 | Very high | 86.1 | Confident | 126 Ų | 126 | 93.1 Ų | 93.1 | 55% | 0.548 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -54.8 | -36.1 | 177.2 | -174.3 | 178.6 | 67.3 | 177.6 | 0 | 113.2 | R185 K193 | R185-K189 WeakPolarHBondContact O-CB 3.48Å; R185-K189 PolarHBondContact O-N 3.04Å; K189-K193 HydrophobicContact CG-CD 4.48Å; K189-K193 WeakPolarHBondContact O-CG 3.36Å; K189-K193 PolarHBondContact O-N 3.29Å |
| 190 | K | 93.9 | Very high | 84 | Confident | 145 Ų | 145 | 95.1 Ų | 95.1 | 63% | 0.63 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65 | -51.4 | 175.9 | -172.8 | 178.7 | 177.9 | -176.5 | 0 | 110.8 | S186 K187 F188 Y192 K193 N194 | S186-K190 PolarHBondContact O-N 3.13Å; K187-K190 WeakPolarHBondContact O-CB 3.34Å; K187-K190 PolarHBondContact O-N 3.12Å; F188-K190 PolarHBondContact O-N 3.21Å; F188-K190 VanDerWaalsContact O-N 3.12Å; K190-Y192 VanDerWaalsContact C-N 3.29Å; K190-Y192 PolarHBondContact O-N 3.29Å; K190-K193 PolarHBondContact O-N 2.84Å; K190-K193 VanDerWaalsContact O-N 3.08Å; K190-N194 WeakPolarHBondContact CG-OD1 3.47Å; K190-N194 PolarHBondContact O-N 3.2Å; K190-N194 PolarHBondContact O-OD1 3.08Å |
| 191 | L | 89.4 | Confident | 81.8 | Confident | 56 Ų | 56 | 101.2 Ų | 101.2 | 29% | 0.293 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -56.9 | -41.6 | 179.9 | -67.7 | 170.6 | 0 | 0 | 0 | 112.5 | K187 F188 K193 N194 G195 | K187-L191 HydrophobicContact CG-CD1 4.21Å; K187-L191 WeakPolarHBondContact O-CG 3.48Å; K187-L191 PolarHBondContact O-N 3.36Å; F188-L191 PolarHBondContact O-N 3.37Å; L191-K193 VanDerWaalsContact C-N 3.3Å; L191-K193 PolarHBondContact O-N 3.2Å; L191-N194 PolarHBondContact O-N 3.34Å; L191-G195 PolarHBondContact O-N 3.43Å |
| 192 | Y | 85.4 | Confident | 79 | Confident | 133 Ų | 133 | 105.2 Ų | 105.2 | 52% | 0.522 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.5 | -30.8 | 178.8 | -81.3 | -105.9 | 0 | 0 | 0 | 113.6 | F188 K190 I197 | F188-Y192 AromaticContact CD1-CD2 3.73Å; F188-Y192 HydrophobicContact CD1-CD2 3.73Å; F188-Y192 AromaticContact CD1-CE2 3.55Å; F188-Y192 HydrophobicContact CD1-CE2 3.55Å; F188-Y192 HydrophobicContact CD2-CD2 4.26Å; F188-Y192 AromaticContact CD2-CE2 3.52Å; F188-Y192 HydrophobicContact CD2-CE2 3.52Å; F188-Y192 AromaticContact CE1-CD2 3.71Å; F188-Y192 HydrophobicContact CE1-CD2 3.71Å; F188-Y192 HydrophobicContact CE1-CE1 4.2Å; F188-Y192 AromaticContact CE1-CE2 3.2Å; F188-Y192 HydrophobicContact CE1-CE2 3.2Å; F188-Y192 HydrophobicContact CE1-CG 4.39Å; F188-Y192 AromaticContact CE1-CZ 3.48Å; F188-Y192 VanDerWaalsContact CE1-CZ 3.48Å; F188-Y192 HydrophobicContact CE2-CD2 4.26Å; F188-Y192 AromaticContact CE2-CE2 3.19Å; F188-Y192 HydrophobicContact CE2-CE2 3.19Å; F188-Y192 AromaticContact CE2-CZ 3.57Å; F188-Y192 VanDerWaalsContact CE2-OH 3.28Å; F188-Y192 WeakPolarHBondContact CE2-OH 2.94Å; F188-Y192 HydrophobicContact CG-CD2 4.04Å; F188-Y192 AromaticContact CG-CE2 3.72Å; F188-Y192 HydrophobicContact CG-CE2 3.72Å; F188-Y192 HydrophobicContact CZ-CD2 4.02Å; F188-Y192 HydrophobicContact CZ-CE1 4.11Å; F188-Y192 AromaticContact CZ-CE2 3.04Å; F188-Y192 HydrophobicContact CZ-CE2 3.04Å; F188-Y192 AromaticContact CZ-CZ 3.09Å; F188-Y192 WeakPolarHBondContact CZ-OH 3.28Å; F188-Y192 WeakPolarHBondContact O-CD2 3.39Å; F188-Y192 PolarHBondContact O-N 3.39Å; F188-Y192 VanDerWaalsContact O-N 3.1Å; K190-Y192 VanDerWaalsContact C-N 3.29Å; K190-Y192 PolarHBondContact O-N 3.29Å; Y192-I197 HydrophobicContact CD1-CG2 3.97Å; Y192-I197 HydrophobicContact CD2-CG2 3.94Å; Y192-I197 HydrophobicContact CE1-CG2 3.91Å; Y192-I197 HydrophobicContact CE2-CG2 3.87Å; Y192-I197 HydrophobicContact CG-CG2 4Å |
| 193 | K | 80.8 | Confident | 76.9 | Confident | 165 Ų | 165 | 107.8 Ų | 107.8 | 72% | 0.717 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -79.8 | -22.8 | 177.8 | -71.7 | 177.3 | 171.3 | -151.1 | 0 | 113 | K189 K190 L191 | K189-K193 HydrophobicContact CG-CD 4.48Å; K189-K193 WeakPolarHBondContact O-CG 3.36Å; K189-K193 PolarHBondContact O-N 3.29Å; K190-K193 PolarHBondContact O-N 2.84Å; K190-K193 VanDerWaalsContact O-N 3.08Å; L191-K193 VanDerWaalsContact C-N 3.3Å; L191-K193 PolarHBondContact O-N 3.2Å |
| 194 | N | 79.7 | Confident | 74.6 | Confident | 106 Ų | 106 | 109.9 Ų | 109.9 | 57% | 0.567 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 3.5 | -176.7 | -74.4 | 99.7 | 0 | 0 | 0 | 113.1 | K190 L191 E196 | K190-N194 WeakPolarHBondContact CG-OD1 3.47Å; K190-N194 PolarHBondContact O-N 3.2Å; K190-N194 PolarHBondContact O-OD1 3.08Å; L191-N194 PolarHBondContact O-N 3.34Å; N194-E196 PolarHBondContact O-N 3.46Å |
| 195 | G | 73.3 | Confident | 72.2 | Confident | 62 Ų | 62 | 110.7 Ų | 110.7 | 64% | 0.639 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.3 | -10.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L191 I197 | L191-G195 PolarHBondContact O-N 3.43Å; G195-I197 VanDerWaalsContact C-N 3.31Å; G195-I197 PolarHBondContact O-N 2.95Å |
| 196 | E | 62.8 | Low | 70 | Confident | 141 Ų | 141 | 113 Ų | 113 | 66% | 0.659 | 62% | 0.615 | S | S | * | * | trans | -82.1 | 71.5 | 172.7 | -74.6 | -165.7 | 145.2 | 0 | 0 | 111.4 | N194 P198 | N194-E196 PolarHBondContact O-N 3.46Å; E196-P198 WeakPolarHBondContact O-CD 3.35Å | ||
| 197 | I | 62.5 | Low | 67.8 | Low | 71 Ų | 71 | 115.4 Ų | 115.4 | 36% | 0.364 | 62% | 0.623 | S | S | . | * | trans | -94.5 | 113.7 | 162.5 | 37.9 | 166 | 0 | 0 | 0 | 109.3 | Y192 G195 L199 | Y192-I197 HydrophobicContact CD1-CG2 3.97Å; Y192-I197 HydrophobicContact CD2-CG2 3.94Å; Y192-I197 HydrophobicContact CE1-CG2 3.91Å; Y192-I197 HydrophobicContact CE2-CG2 3.87Å; Y192-I197 HydrophobicContact CG-CG2 4Å; G195-I197 VanDerWaalsContact C-N 3.31Å; G195-I197 PolarHBondContact O-N 2.95Å; I197-L199 HydrophobicContact CD1-CD2 4.1Å; I197-L199 HydrophobicContact CD1-CG 4.19Å; I197-L199 HydrophobicContact CG1-CG 4.49Å; I197-L199 PolarHBondContact O-N 3.02Å | ||
| 198 | P | 56.3 | Low | 65.5 | Low | 106 Ų | 106 | 115.1 Ų | 115.1 | 69% | 0.688 | 64% | 0.637 | S | S | * | * | trans | -63.2 | 102.3 | 159.8 | -21.2 | 33.8 | 0 | 0 | 0 | 108.7 | E196 D200 | E196-P198 WeakPolarHBondContact O-CD 3.35Å; P198-D200 PolarHBondContact O-N 3.06Å | ||
| 199 | L | 55.6 | Low | 63.8 | Low | 148 Ų | 148 | 120.4 Ų | 120.4 | 78% | 0.775 | 66% | 0.664 | S | S | * | * | trans | -74.4 | 51.7 | -179 | -82.4 | 161.6 | 0 | 0 | 0 | 111.9 | I197 | I197-L199 HydrophobicContact CD1-CD2 4.1Å; I197-L199 HydrophobicContact CD1-CG 4.19Å; I197-L199 HydrophobicContact CG1-CG 4.49Å; I197-L199 PolarHBondContact O-N 3.02Å | ||
| 200 | D | 53.7 | Low | 61.5 | Low | 121 Ų | 121 | 118 Ų | 118 | 65% | 0.647 | 67% | 0.668 | S | S | * | * | trans | -113 | 8.2 | -172.7 | -66.7 | -76.6 | 0 | 0 | 0 | 115.4 | P198 | P198-D200 PolarHBondContact O-N 3.06Š| ||
| 201 | H | 51.4 | Low | 59.5 | Low | 162 Ų | 162 | 116.7 Ų | 116.7 | 75% | 0.75 | 68% | 0.676 | S | S | * | * | trans | -148.4 | 50.5 | -179.9 | -67.3 | 89.6 | 0 | 0 | 0 | 114.3 | ||||
| 202 | S | 40.4 | Very low | 57.6 | Low | 91 Ų | 91 | 120.7 Ų | 120.7 | 64% | 0.636 | 70% | 0.697 | S | S | * | * | trans | -100.2 | 112.7 | 158.8 | -157.2 | 0 | 0 | 0 | 0 | 108.4 | N204 | S202-N204 PolarHBondContact O-N 3.04Å; S202-N204 VanDerWaalsContact O-N 3.11Å | ||
| 203 | P | 54.4 | Low | 55.9 | Low | 137 Ų | 137 | 119.9 Ų | 119.9 | 89% | 0.89 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 17.3 | -179.1 | 32.7 | -33.4 | 0 | 0 | 0 | 113.2 | ||
| 204 | N | 50.6 | Low | 54.7 | Low | 147 Ų | 147 | 117.6 Ų | 117.6 | 79% | 0.786 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.3 | 27 | -172.4 | -155.6 | 86.1 | 0 | 0 | 0 | 114.7 | S202 | S202-N204 PolarHBondContact O-N 3.04Å; S202-N204 VanDerWaalsContact O-N 3.11Å |
| 205 | A | 45.3 | Very low | 53.5 | Low | 87 Ų | 87 | 118.3 Ų | 118.3 | 72% | 0.719 | 73% | 0.726 | S | S | * | * | trans | -101.8 | 86.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 206 | S | 51.9 | Low | 52.3 | Low | 112 Ų | 112 | 120.7 Ų | 120.7 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | trans | -56.6 | 135.9 | 161.1 | -80.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 207 | D | 52.3 | Low | 51.9 | Low | 124 Ų | 124 | 119.8 Ų | 119.8 | 66% | 0.663 | 74% | 0.74 | S | S | * | * | trans | 24.5 | 108 | 151.4 | -80.3 | -85.6 | 0 | 0 | 0 | 118 | ||||
| 208 | S | 47.9 | Very low | 51.3 | Low | 119 Ų | 119 | 122.9 Ų | 122.9 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | -135.5 | 108.7 | 135.9 | -70.7 | 0 | 0 | 0 | 0 | 107.3 | A210 | S208-A210 PolarHBondContact O-N 3.11Š| ||
| 209 | M | 57.2 | Low | 51 | Low | 169 Ų | 169 | 123.3 Ų | 123.3 | 83% | 0.833 | 76% | 0.762 | S | S | * | * | trans | -38.1 | 107.6 | 178.4 | -63.8 | -74.4 | 170.4 | 0 | 0 | 112.2 | ||||
| 210 | A | 47.7 | Very low | 50.9 | Low | 77 Ų | 77 | 127.6 Ų | 127.6 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | trans | -118.6 | 87.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | S208 N212 | S208-A210 PolarHBondContact O-N 3.11Å; A210-N212 VanDerWaalsContact C-N 3.34Å; A210-N212 PolarHBondContact O-N 3.1Å | ||
| 211 | C | 51.2 | Low | 50.5 | Low | 117 Ų | 117 | 129.2 Ų | 129.2 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -56 | 97.2 | 163.6 | 50.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 212 | N | 50.1 | Low | 50 | Low | 140 Ų | 140 | 128.8 Ų | 128.8 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | trans | -127 | 90.2 | 162.1 | -74.4 | -75.3 | 0 | 0 | 0 | 106.9 | A210 P214 | A210-N212 VanDerWaalsContact C-N 3.34Å; A210-N212 PolarHBondContact O-N 3.1Å; N212-P214 WeakPolarHBondContact O-CD 3.47Å | ||
| 213 | S | 48.6 | Very low | 49.8 | Very low | 115 Ų | 115 | 131.1 Ų | 131.1 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 130.2 | 171.1 | -56.2 | 0 | 0 | 0 | 0 | 110 | ||
| 214 | P | 55.9 | Low | 49 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 124.8 | 152.4 | 30.2 | -26.2 | 0 | 0 | 0 | 108.3 | N212 S216 | N212-P214 WeakPolarHBondContact O-CD 3.47Å; P214-S216 PolarHBondContact O-N 3.43Å |
| 215 | S | 54.3 | Low | 48.6 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -54 | 123.4 | 167.4 | -59.2 | 0 | 0 | 0 | 0 | 109.6 | ||
| 216 | S | 47.6 | Very low | 48.4 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -55 | 134.3 | 175.4 | -55.3 | 0 | 0 | 0 | 0 | 111.1 | P214 | P214-S216 PolarHBondContact O-N 3.43Š|
| 217 | P | 55.9 | Low | 48 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 138 | 169.9 | 29.4 | -30.2 | 0 | 0 | 0 | 110.3 | ||
| 218 | T | 48.2 | Very low | 47.8 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 83% | 0.828 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 138.9 | -178.1 | -46.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 219 | V | 50.7 | Low | 47.3 | Very low | 116 Ų | 116 | 131 Ų | 131 | 70% | 0.703 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 137.6 | 173.2 | -68.7 | 0 | 0 | 0 | 0 | 113 | ||
| 220 | W | 54 | Low | 46.6 | Very low | 237 Ų | 237 | 128.8 Ų | 128.8 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 122.4 | 165.5 | 41.6 | -80.5 | 0 | 0 | 0 | 107.6 | ||
| 221 | D | 44.5 | Very low | 46 | Very low | 155 Ų | 155 | 134.4 Ų | 134.4 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | trans | -136.4 | 123 | 164.8 | -123.8 | -51.7 | 0 | 0 | 0 | 108.7 | ||||
| 222 | N | 40.3 | Very low | 45.7 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -128.9 | 131.8 | -179.3 | -161.8 | 14.1 | 0 | 0 | 0 | 107.2 | ||||
| 223 | N | 36.7 | Very low | 45 | Very low | 140 Ų | 140 | 134.3 Ų | 134.3 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | trans | 109.9 | 95 | 158 | -138.8 | 39.4 | 0 | 0 | 0 | 118.7 | ||||
| 224 | S | 37.7 | Very low | 44.9 | Very low | 87 Ų | 87 | 134.4 Ų | 134.4 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | 60.5 | 111.2 | 120.4 | -48.2 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 225 | L | 43.1 | Very low | 44.5 | Very low | 160 Ų | 160 | 134.3 Ų | 134.3 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | 164.6 | 143.6 | 112.1 | -105.8 | 94.5 | 0 | 0 | 0 | 112.3 | |||||
| 226 | T | 41.3 | Very low | 44.1 | Very low | 135 Ų | 135 | 137 Ų | 137 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | trans | 92.2 | 115 | 163.9 | 66.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 227 | T | 42.5 | Very low | 44 | Very low | 132 Ų | 132 | 137.2 Ų | 137.2 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | -61.5 | -176.8 | 173.9 | 28 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 228 | P | 47.9 | Very low | 43.8 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | cis | -133.9 | 164.5 | -37 | 35.8 | -18.9 | 0 | 0 | 0 | 113.1 | ||||
| 229 | A | 38.8 | Very low | 43.6 | Very low | 92 Ų | 92 | 139.2 Ų | 139.2 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | 162.6 | 138.5 | 133.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 230 | S | 40.8 | Very low | 43.1 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | 81.6 | 100.5 | 154.9 | -51.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 231 | R | 35.9 | Very low | 42.2 | Very low | 194 Ų | 194 | 132.8 Ų | 132.8 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | trans | -77.6 | 159.4 | 163.3 | -145.2 | -165.9 | -176.4 | -172.9 | 1.4 | 110.5 | ||||
| 232 | P | 45.3 | Very low | 42.1 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | -136.4 | 132.8 | 83.3 | 18.4 | 3.7 | 0 | 0 | 0 | 113.3 | |||||
| 233 | Q | 35.6 | Very low | 42.6 | Very low | 135 Ų | 135 | 129.2 Ų | 129.2 | 63% | 0.631 | 77% | 0.773 | S | S | * | * | 52.1 | 125.4 | 98.8 | -106.6 | -165.9 | -23.1 | 0 | 0 | 113.6 | |||||
| 234 | V | 46.4 | Very low | 43.2 | Very low | 117 Ų | 117 | 128.8 Ų | 128.8 | 71% | 0.709 | 78% | 0.778 | S | S | * | * | cis | -170 | -174.2 | 11.4 | -133.6 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 235 | P | 47 | Very low | 43.6 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | cis | -126.8 | 157.6 | -27.9 | 24 | -2 | 0 | 0 | 0 | 114.4 | ||||
| 236 | Q | 45.3 | Very low | 44.1 | Very low | 177 Ų | 177 | 131.8 Ų | 131.8 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 153.1 | 166 | -63.7 | -146.3 | -31.6 | 0 | 0 | 112 | ||
| 237 | P | 46.3 | Very low | 44.5 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 147.9 | 151.9 | 32.8 | -28.3 | 0 | 0 | 0 | 111 | ||
| 238 | P | 51.3 | Low | 44.5 | Very low | 128 Ų | 128 | 133 Ų | 133 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -81 | 145.5 | -166.4 | 32.2 | -34.4 | 0 | 0 | 0 | 113.6 | ||
| 239 | L | 45.2 | Very low | 44.5 | Very low | 171 Ų | 171 | 138.7 Ų | 138.7 | 90% | 0.895 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 137.3 | 159.5 | -70.1 | 162.1 | 0 | 0 | 0 | 109.6 | ||
| 240 | S | 38.3 | Very low | 45 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | -146.5 | 115.7 | 152.3 | -168.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 241 | S | 35.7 | Very low | 45.1 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | 66.3 | 110.7 | 140.2 | -49.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 242 | S | 42.3 | Very low | 45.9 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | -75.1 | 178.6 | 149.1 | -59.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 243 | P | 50.3 | Low | 46 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | -122.2 | 173.7 | -62.1 | 36.3 | -22 | 0 | 0 | 0 | 111.1 | |||||
| 244 | P | 51 | Low | 46.6 | Very low | 132 Ų | 132 | 142.5 Ų | 142.5 | 86% | 0.857 | 75% | 0.751 | S | S | * | * | trans | -118.3 | 137.2 | 147.6 | 32.3 | -20.7 | 0 | 0 | 0 | 112.1 | ||||
| 245 | Y | 44.6 | Very low | 46.4 | Very low | 206 Ų | 206 | 145.3 Ų | 145.3 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | trans | -68.5 | 137 | 175 | 168.2 | -95.9 | 0 | 0 | 0 | 111.1 | ||||
| 246 | L | 55.3 | Low | 46.1 | Very low | 104 Ų | 104 | 148 Ų | 148 | 55% | 0.545 | 76% | 0.759 | S | S | . | * | trans | 58.9 | 96.5 | 146 | -149.4 | 155.4 | 0 | 0 | 0 | 117.4 | ||||
| 247 | E | 48.7 | Very low | 46.1 | Very low | 177 Ų | 177 | 142.9 Ų | 142.9 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | trans | -177.8 | 157.2 | 133.2 | -133.2 | 81.7 | -143.8 | 0 | 0 | 108 | ||||
| 248 | D | 43 | Very low | 46 | Very low | 115 Ų | 115 | 142.2 Ų | 142.2 | 62% | 0.615 | 75% | 0.752 | S | S | * | * | trans | 90.1 | 40.5 | 174.8 | -122.7 | -76.6 | 0 | 0 | 0 | 118.7 | H252 | D248-H252 IonicContact OD1-CE1 3.29Å; D248-H252 PolarHBondContact OD1-CE1 3.07Å; D248-H252 VanDerWaalsContact OD1-CE1 3.29Å | ||
| 249 | Y | 46.6 | Very low | 46 | Very low | 236 Ų | 236 | 144.1 Ų | 144.1 | 93% | 0.925 | 75% | 0.749 | S | S | * | * | trans | -100.2 | 50.5 | 153.3 | -143.5 | -89.5 | 0 | 0 | 0 | 110.9 | ||||
| 250 | N | 50 | Low | 45.8 | Very low | 106 Ų | 106 | 143.4 Ų | 143.4 | 57% | 0.567 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -164 | 106.9 | 170.7 | -151.7 | 3.3 | 0 | 0 | 0 | 109.5 | ||
| 251 | N | 43.7 | Very low | 46.1 | Very low | 118 Ų | 118 | 146.9 Ų | 146.9 | 63% | 0.631 | 75% | 0.75 | S | S | * | * | trans | 154.8 | 0.7 | 139.8 | -81.8 | -60.7 | 0 | 0 | 0 | 116.7 | W253 | N251-W253 VanDerWaalsContact C-N 3.3Å; N251-W253 PolarHBondContact O-N 2.92Å; N251-W253 VanDerWaalsContact O-N 3.13Å | ||
| 252 | H | 51.8 | Low | 46.4 | Very low | 154 Ų | 154 | 150.2 Ų | 150.2 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | 4.5 | -172.6 | -20 | -75.7 | 0 | 0 | 0 | 116.9 | D248 | D248-H252 IonicContact OD1-CE1 3.29Å; D248-H252 PolarHBondContact OD1-CE1 3.07Å; D248-H252 VanDerWaalsContact OD1-CE1 3.29Å |
| 253 | W | 47 | Very low | 46.8 | Very low | 195 Ų | 195 | 150.6 Ų | 150.6 | 74% | 0.739 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -8.1 | -176.4 | 62.6 | -74.9 | 0 | 0 | 0 | 114.6 | N251 | N251-W253 VanDerWaalsContact C-N 3.3Å; N251-W253 PolarHBondContact O-N 2.92Å; N251-W253 VanDerWaalsContact O-N 3.13Å |
| 254 | Y | 49.6 | Very low | 46.1 | Very low | 173 Ų | 173 | 148.5 Ų | 148.5 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -136.4 | 81.6 | 176.8 | -93.6 | -109.6 | 0 | 0 | 0 | 111.2 | ||
| 255 | Q | 41.4 | Very low | 45.9 | Very low | 176 Ų | 176 | 147.3 Ų | 147.3 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | -170.4 | 132.9 | 139.2 | -152.1 | 59.6 | 42.6 | 0 | 0 | 109.7 | ||||
| 256 | Q | 40.5 | Very low | 45.9 | Very low | 171 Ų | 171 | 143.2 Ų | 143.2 | 80% | 0.799 | 75% | 0.75 | S | S | * | * | trans | 131.6 | 69.7 | 162 | -67.9 | -89.3 | -15.6 | 0 | 0 | 111.1 | ||||
| 257 | G | 46.4 | Very low | 45.7 | Very low | 70 Ų | 70 | 147.4 Ų | 147.4 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | -94.6 | 113.4 | 148 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 258 | S | 42.2 | Very low | 45.9 | Very low | 102 Ų | 102 | 146.4 Ų | 146.4 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | trans | 166.1 | 137.6 | 145.2 | -75.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 259 | H | 51.7 | Low | 46.4 | Very low | 168 Ų | 168 | 146.9 Ų | 146.9 | 78% | 0.778 | 77% | 0.771 | S | S | * | * | trans | 75.3 | 113.4 | 168.9 | 102.4 | -64.5 | 0 | 0 | 0 | 117.9 | ||||
| 260 | L | 41.8 | Very low | 46.6 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | -155.4 | 129 | 128.5 | -126.6 | 74.2 | 0 | 0 | 0 | 110.8 | |||||
| 261 | Q | 45.1 | Very low | 46.6 | Very low | 181 Ų | 181 | 142.7 Ų | 142.7 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | -65.7 | 142.9 | -176 | -160 | 83.3 | 44.5 | 0 | 0 | 112.5 | ||||
| 262 | H | 41.3 | Very low | 46.7 | Very low | 181 Ų | 181 | 146.4 Ų | 146.4 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -82.3 | 136.5 | 166 | -71.1 | -89.7 | 0 | 0 | 0 | 111 | ||||
| 263 | P | 50.7 | Low | 46.5 | Very low | 123 Ų | 123 | 147.8 Ų | 147.8 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | trans | -106.7 | 137.1 | 163.7 | 34.7 | -24.7 | 0 | 0 | 0 | 112.6 | ||||
| 264 | G | 36.4 | Very low | 46.5 | Very low | 73 Ų | 73 | 144.5 Ų | 144.5 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | 81 | 99.8 | 133.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 265 | A | 45.9 | Very low | 46.7 | Very low | 108 Ų | 108 | 142.6 Ų | 142.6 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | trans | -71.9 | 133.3 | 159.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 266 | V | 44.9 | Very low | 46.9 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | trans | -120.2 | 108.4 | 167.7 | -170.5 | 0 | 0 | 0 | 0 | 109.3 | H268 | V266-H268 PolarHBondContact O-ND1 3.25Å; V266-H268 VanDerWaalsContact O-ND1 3.1Å | ||
| 267 | H | 51.5 | Low | 47.2 | Very low | 192 Ų | 192 | 134.8 Ų | 134.8 | 89% | 0.889 | 81% | 0.811 | S | S | * | * | trans | -63.8 | 131.9 | 177.6 | -141.5 | -147.1 | 0 | 0 | 0 | 110.6 | ||||
| 268 | H | 52 | Low | 47 | Very low | 156 Ų | 156 | 137.6 Ų | 137.6 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | trans | -125.3 | 138.1 | 170.6 | -68.8 | 65.2 | 0 | 0 | 0 | 109.4 | V266 | V266-H268 PolarHBondContact O-ND1 3.25Å; V266-H268 VanDerWaalsContact O-ND1 3.1Å | ||
| 269 | P | 53.5 | Low | 47.3 | Very low | 126 Ų | 126 | 146.9 Ų | 146.9 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 154.6 | -172.4 | 34.4 | -33.2 | 0 | 0 | 0 | 113.2 | ||
| 270 | V | 51.3 | Low | 47.1 | Very low | 136 Ų | 136 | 145.9 Ų | 145.9 | 82% | 0.824 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 140 | 180 | -178.3 | 0 | 0 | 0 | 0 | 111.4 | ||
| 271 | P | 50.5 | Low | 47.4 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 76% | 0.76 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 134.4 | 160.9 | 32.5 | -27 | 0 | 0 | 0 | 111.4 | ||
| 272 | Q | 46.3 | Very low | 47.5 | Very low | 196 Ų | 196 | 143.3 Ų | 143.3 | 92% | 0.916 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 137.9 | 177.7 | -74.4 | 178.7 | -82.1 | 0 | 0 | 112.9 | ||
| 273 | Q | 45.6 | Very low | 47.8 | Very low | 184 Ų | 184 | 141.1 Ų | 141.1 | 86% | 0.86 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 122.5 | 162.5 | -67.6 | -177.8 | 4.1 | 0 | 0 | 109.3 | ||
| 274 | S | 48.7 | Very low | 47.7 | Very low | 126 Ų | 126 | 142.2 Ų | 142.2 | 88% | 0.881 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 120.5 | 167 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | ||
| 275 | V | 54 | Low | 48.4 | Very low | 132 Ų | 132 | 146.8 Ų | 146.8 | 80% | 0.8 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 133.5 | 175.2 | -77.8 | 0 | 0 | 0 | 0 | 110.3 | ||
| 276 | G | 45.3 | Very low | 48.6 | Very low | 77 Ų | 77 | 149.6 Ų | 149.6 | 79% | 0.794 | 84% | 0.844 | S | S | * | * | trans | 91.7 | 120.1 | 144.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 277 | A | 46.2 | Very low | 48.9 | Very low | 107 Ų | 107 | 151.9 Ų | 151.9 | 88% | 0.884 | 85% | 0.853 | S | S | * | * | -162.4 | 124.6 | 107.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 278 | V | 42.3 | Very low | 48.7 | Very low | 128 Ų | 128 | 148.6 Ų | 148.6 | 78% | 0.776 | 85% | 0.85 | S | S | * | * | trans | -88.8 | 127.5 | 161.8 | 176.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 279 | Y | 48.4 | Very low | 48.4 | Very low | 298 Ų | 298 | 147.9 Ų | 147.9 | 100% | 1.169 | 86% | 0.862 | S | S | * | * | 172.5 | 0 | 129.7 | -105.3 | -80.3 | 0 | 0 | 0 | 109.9 |
Retrieved 279 of 279 residues in 72.3 ms
(Link to these results)